#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mzu h ARG 12 N 0.00 0.00 0.00 6.28 2.47 -2.01 -1.82 114.38 119.30 1mzu h ARG 12 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1mzu h ARG 12 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1mzu h ARG 12 CO 0.00 0.00 -1.16 0.41 0.56 0.00 0.00 179.97 179.78 1mzu n GLY 13 N -1.31 -1.40 0.01 0.04 0.00 -1.26 -4.38 105.19 96.89 1mzu n GLY 13 Ca -0.03 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.61 0.00 -0.08 2.61 -2.24 -0.97 -4.62 114.28 106.38 1mzu n THR 14 Ca -0.01 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.44 1mzu n THR 14 Cb 0.55 0.39 0.18 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.24 -0.05 2.28 2.10 -1.55 -2.50 117.51 119.03 1mzu h ILE 15 Ca 0.00 -1.03 -0.06 0.00 1.08 0.00 0.00 64.86 64.85 1mzu h ILE 15 Cb 0.63 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.32 1mzu h ILE 15 CO 0.00 0.35 -0.25 0.44 -1.08 0.00 0.00 178.15 177.61 1mzu h ASP 16 N 0.66 0.09 -0.34 2.19 3.45 -1.82 -2.61 116.42 118.05 1mzu h ASP 16 Ca 0.13 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1mzu h ASP 16 Cb 0.48 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1mzu h ASP 16 CO 0.02 0.35 0.00 0.61 -1.57 0.00 0.00 179.24 178.65 1mzu n GLY 17 N -0.71 1.36 3.75 2.75 0.00 -1.09 -4.97 105.19 106.28 1mzu n GLY 17 Ca -0.02 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.57 4.46 0.75 1.61 -1.94 -0.96 -5.04 119.30 116.61 1mzu s MET 18 Ca 0.37 1.98 -0.12 0.00 -1.71 0.00 0.00 55.69 56.21 1mzu s MET 18 Cb 0.21 -3.19 0.04 0.00 2.01 0.00 0.00 34.83 33.90 1mzu s MET 18 CO 0.30 -0.11 1.13 0.20 -0.01 0.00 0.00 175.02 176.53 1mzu s GLY 19 N -0.07 1.61 0.20 -0.03 0.00 -1.26 -4.78 107.32 103.00 1mzu s GLY 19 Ca 0.52 -0.45 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 1mzu s GLY 19 CO 0.40 -0.03 1.68 -0.84 0.00 0.00 0.00 173.10 174.31 1mzu h THR 20 N -0.81 0.55 -0.55 0.90 2.02 -1.98 0.11 112.91 113.16 1mzu h THR 20 Ca -0.45 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1mzu h THR 20 Cb 1.28 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1mzu h THR 20 CO 0.64 0.02 0.35 0.00 0.37 0.00 0.00 175.52 176.91 1mzu h ALA 21 N 1.51 0.70 -0.15 6.16 0.00 -1.97 0.10 119.26 125.61 1mzu h ALA 21 Ca 0.30 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1mzu h ALA 21 Cb 0.46 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mzu h ALA 21 CO -0.47 0.15 -0.69 0.93 0.00 0.00 0.00 179.25 179.17 1mzu h GLU 22 N 0.74 0.73 -0.77 0.00 3.07 -1.90 -2.53 114.58 113.92 1mzu h GLU 22 Ca 0.20 -0.59 -0.05 0.00 -0.50 0.00 0.00 59.36 58.43 1mzu h GLU 22 Cb -0.06 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1mzu h GLU 22 CO -0.04 1.20 0.30 0.35 -1.40 0.00 0.00 179.01 179.42 1mzu h PHE 23 N 0.43 1.18 0.00 4.33 3.57 -0.82 -1.85 116.94 123.78 1mzu h PHE 23 Ca -0.04 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1mzu h PHE 23 Cb 1.32 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1mzu h PHE 23 CO 0.09 0.89 0.00 -0.25 -2.23 0.00 0.00 178.31 176.82 1mzu n ASP 24 N -4.30 0.29 -0.26 0.41 8.00 0.01 -3.20 116.55 117.50 1mzu n ASP 24 Ca 0.07 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.23 1mzu n ASP 24 Cb 0.19 -0.61 0.14 0.00 -0.02 0.00 0.00 41.12 40.81 1mzu n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mzu n ALA 25 N -1.61 3.60 -1.67 2.24 0.00 -0.71 -4.05 120.51 118.32 1mzu n ALA 25 Ca 0.05 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1mzu n ALA 25 Cb 0.30 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.80 1mzu n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mzu n LEU 26 N -0.68 3.45 0.00 0.00 4.77 -1.14 -4.89 117.00 118.50 1mzu n LEU 26 Ca 0.09 1.12 0.10 0.00 -0.03 0.00 0.00 56.01 57.29 1mzu n LEU 26 Cb 0.39 -1.45 0.53 0.00 -2.33 0.00 0.00 43.42 40.56 1mzu n LEU 26 CO 0.31 -0.85 0.82 -0.81 -1.33 0.00 0.00 177.39 175.53 1mzu n PRO 27 N 0.22 0.36 -4.42 3.23 -0.04 -1.26 -4.78 135.00 128.31 1mzu n PRO 27 Ca 0.07 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 1mzu n PRO 27 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.46 1.96 0.26 0.52 -7.23 -1.26 -4.96 120.40 107.22 1mzu s VAL 28 Ca 0.22 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 1mzu s VAL 28 Cb 0.14 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 1mzu s VAL 28 CO 0.30 -0.43 0.99 -0.83 -0.31 0.00 0.00 175.10 174.81 1mzu s GLY 29 N -3.43 3.07 -0.05 2.32 0.00 0.17 -4.67 107.32 104.74 1mzu s GLY 29 Ca 0.27 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1mzu s GLY 29 CO 0.11 1.26 -0.03 0.00 0.00 0.00 0.00 173.10 174.44 1mzu s ALA 30 N -1.22 0.65 -0.11 3.20 0.00 -1.26 -0.86 121.76 122.15 1mzu s ALA 30 Ca 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 1mzu s ALA 30 Cb -0.27 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1mzu s ALA 30 CO 0.34 -0.16 -0.07 0.42 0.00 0.00 0.00 175.76 176.28 1mzu s ILE 31 N 1.25 1.01 -0.23 0.00 1.01 -0.50 -2.44 121.20 121.30 1mzu s ILE 31 Ca -0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1mzu s ILE 31 Cb -0.14 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1mzu s ILE 31 CO -0.02 0.36 0.11 -1.58 0.00 0.00 0.00 174.94 173.82 1mzu s GLN 32 N 1.71 3.93 0.25 2.79 0.74 -0.33 -0.89 119.66 127.87 1mzu s GLN 32 Ca 0.05 -0.35 0.10 0.00 0.05 0.00 0.00 55.36 55.21 1mzu s GLN 32 Cb -0.13 -3.41 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 1mzu s GLN 32 CO -0.08 0.03 -0.17 0.14 -0.55 0.00 0.00 175.29 174.66 1mzu s VAL 33 N 1.09 2.15 0.31 1.34 -7.23 -0.11 0.10 120.40 118.04 1mzu s VAL 33 Ca 0.06 -2.31 -0.01 0.00 -1.81 0.00 0.00 61.98 57.90 1mzu s VAL 33 Cb -0.14 -2.22 0.06 0.00 0.56 0.00 0.00 36.38 34.64 1mzu s VAL 33 CO 0.04 -0.46 0.42 -0.90 -0.31 0.00 0.00 175.10 173.89 1mzu n ASP 34 N -0.53 0.47 0.12 4.85 3.85 -0.36 -0.31 116.55 124.63 1mzu n ASP 34 Ca -0.06 -1.42 0.10 0.00 -0.71 0.00 0.00 54.79 52.70 1mzu n ASP 34 Cb 0.60 -0.28 0.47 0.00 -1.35 0.00 0.00 41.12 40.56 1mzu n ASP 34 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1mzu n GLY 35 N 1.88 -1.01 0.31 6.12 0.00 -1.22 -1.76 105.19 109.51 1mzu n GLY 35 Ca 0.07 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1mzu n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mzu n SER 36 N -2.12 1.59 0.00 1.61 7.64 -1.26 -4.98 113.62 116.11 1mzu n SER 36 Ca 0.01 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1mzu n SER 36 Cb 0.12 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1mzu n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mzu n GLY 37 N 1.44 0.50 3.73 0.23 0.00 -0.72 -4.94 105.19 105.42 1mzu n GLY 37 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.21 3.22 0.03 1.61 1.01 -1.26 -0.62 120.40 122.18 1mzu s VAL 38 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1mzu s VAL 38 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1mzu s VAL 38 CO 0.00 0.11 1.13 -0.63 0.00 0.00 0.00 175.10 175.71 1mzu s ILE 39 N 0.55 4.32 -0.13 2.22 1.01 -0.20 -1.23 121.20 127.75 1mzu s ILE 39 Ca 0.60 1.66 0.04 0.00 0.00 0.00 0.00 60.65 62.96 1mzu s ILE 39 Cb -0.37 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 37.93 1mzu s ILE 39 CO 0.35 0.12 -0.06 1.41 0.00 0.00 0.00 174.94 176.75 1mzu n HIS 40 N 4.05 0.00 -4.05 3.97 8.25 0.11 -1.17 115.22 126.38 1mzu n HIS 40 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 1mzu n HIS 40 Cb 0.48 -0.53 -0.12 0.00 1.12 0.00 0.00 29.99 30.93 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 -2.27 0.39 -0.25 -0.41 0.52 -1.11 -4.92 118.95 110.91 1mzu s ARG 41 Ca -0.14 -0.48 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1mzu s ARG 41 Cb 0.04 -0.21 0.13 0.00 0.52 0.00 0.00 34.95 35.44 1mzu s ARG 41 CO 0.37 0.04 0.47 -0.47 0.02 0.00 0.00 175.30 175.73 1mzu s TYR 42 N -0.89 -1.06 0.57 -0.53 6.14 -1.26 -1.18 117.35 119.14 1mzu s TYR 42 Ca -0.07 1.41 -0.07 0.00 0.64 0.00 0.00 57.07 58.98 1mzu s TYR 42 Cb -0.07 0.32 -0.02 0.00 0.42 0.00 0.00 41.96 42.62 1mzu s TYR 42 CO -0.00 -0.68 0.91 0.54 0.64 0.00 0.00 175.55 176.95 1mzu s ASN 43 N 2.68 5.93 0.34 4.32 4.22 -1.02 -4.76 114.94 126.65 1mzu s ASN 43 Ca 0.08 0.97 0.02 0.00 -2.14 0.00 0.00 52.86 51.79 1mzu s ASN 43 Cb -0.14 -2.06 0.63 0.00 1.28 0.00 0.00 41.25 40.96 1mzu s ASN 43 CO -0.17 -0.89 1.99 -0.09 -2.04 0.00 0.00 177.10 175.91 1mzu h ARG 44 N -0.11 0.85 -0.68 3.55 2.43 -1.84 -2.16 114.38 116.42 1mzu h ARG 44 Ca -0.46 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1mzu h ARG 44 Cb 1.23 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1mzu h ARG 44 CO 0.62 0.56 0.45 1.15 -1.51 0.00 0.00 179.97 181.24 1mzu h THR 45 N 0.88 1.12 -0.06 0.20 2.02 -1.86 -0.83 112.91 114.38 1mzu h THR 45 Ca 0.27 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 1mzu h THR 45 Cb -0.01 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1mzu h THR 45 CO -0.07 0.15 -0.74 -0.08 0.37 0.00 0.00 175.52 175.16 1mzu h GLU 46 N 0.85 0.33 -0.06 6.66 4.57 -1.67 -3.09 114.58 122.18 1mzu h GLU 46 Ca 0.26 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1mzu h GLU 46 Cb 0.01 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1mzu h GLU 46 CO -0.07 0.93 -0.37 0.77 -1.18 0.00 0.00 179.01 179.09 1mzu h SER 47 N 0.22 0.11 1.24 1.04 0.02 -0.90 -0.76 113.55 114.53 1mzu h SER 47 Ca -0.03 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1mzu h SER 47 Cb 1.31 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1mzu h SER 47 CO 0.12 0.48 0.00 0.03 -1.14 0.00 0.00 176.83 176.32 1mzu h ARG 48 N 0.10 0.00 0.00 3.45 3.08 -1.11 0.27 114.38 120.17 1mzu h ARG 48 Ca 0.01 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.69 1mzu h ARG 48 Cb 0.71 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 1mzu h ARG 48 CO 0.05 0.00 -2.38 -0.11 -1.07 0.00 0.00 179.97 176.46 1mzu n LEU 49 N -2.62 0.17 -0.12 3.04 7.94 -1.05 -4.70 117.00 119.66 1mzu n LEU 49 Ca 0.03 -0.01 -0.16 0.00 -1.11 0.00 0.00 56.01 54.76 1mzu n LEU 49 Cb 0.36 0.42 -0.13 0.00 0.53 0.00 0.00 43.42 44.60 1mzu n LEU 49 CO 0.27 0.52 -1.27 -1.54 -1.11 0.00 0.00 177.39 174.26 1mzu n SER 50 N -2.77 1.48 0.00 1.96 3.41 -0.32 -5.00 113.62 112.37 1mzu n SER 50 Ca -0.33 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1mzu n SER 50 Cb 1.15 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 1mzu n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mzu n GLY 51 N 2.11 0.85 3.71 5.00 0.00 0.95 -5.04 105.19 112.78 1mzu n GLY 51 Ca -0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.71 4.53 0.18 1.61 3.00 -1.26 -5.03 118.95 121.27 1mzu s ARG 52 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 55.73 56.77 1mzu s ARG 52 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 34.95 31.41 1mzu s ARG 52 CO 0.00 -0.06 1.02 0.96 0.00 0.00 0.00 175.30 177.22 1mzu s ILE 53 N 1.08 4.10 0.33 1.52 -4.36 -1.26 -4.49 121.20 118.11 1mzu s ILE 53 Ca 0.50 1.87 0.05 0.00 -0.26 0.00 0.00 60.65 62.81 1mzu s ILE 53 Cb -0.20 -4.19 0.30 0.00 1.25 0.00 0.00 42.46 39.62 1mzu s ILE 53 CO 0.26 0.35 1.88 -0.65 0.24 0.00 0.00 174.94 177.01 1mzu h PRO 54 N 4.95 0.81 0.00 0.37 0.11 -1.93 -2.76 132.00 133.55 1mzu h PRO 54 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1mzu h PRO 54 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1mzu h PRO 54 CO 0.71 0.54 -0.29 0.93 -0.21 0.00 0.00 178.00 179.68 1mzu h GLU 55 N 0.84 0.00 0.09 1.05 5.08 -1.94 -2.85 114.58 116.85 1mzu h GLU 55 Ca 0.44 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.52 1mzu h GLU 55 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1mzu h GLU 55 CO -0.20 0.29 -1.37 0.00 -1.00 0.00 0.00 179.01 176.73 1mzu h ARG 56 N 0.00 0.19 0.00 2.33 3.08 -1.90 -3.37 114.38 114.72 1mzu h ARG 56 Ca -0.00 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1mzu h ARG 56 Cb 0.57 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1mzu h ARG 56 CO 0.04 1.07 -0.52 -0.39 -1.07 0.00 0.00 179.97 179.10 1mzu h VAL 57 N 0.05 0.13 -2.75 2.04 -1.51 -1.48 -3.45 116.25 109.28 1mzu h VAL 57 Ca -0.17 -1.20 -0.53 0.00 -1.23 0.00 0.00 66.70 63.57 1mzu h VAL 57 Cb 1.96 1.86 0.03 0.00 -2.13 0.00 0.00 31.29 33.02 1mzu h VAL 57 CO 0.16 0.07 0.94 -0.51 -1.23 0.00 0.00 177.57 177.00 1mzu s ILE 58 N -3.22 2.77 0.00 7.19 2.07 -1.08 -1.87 121.20 127.05 1mzu s ILE 58 Ca 0.03 0.43 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1mzu s ILE 58 Cb 0.07 -3.28 0.00 0.00 0.13 0.00 0.00 42.46 39.38 1mzu s ILE 58 CO 0.73 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 174.39 1mzu n GLY 59 N 3.88 0.95 3.90 1.50 0.00 -0.32 -5.00 105.19 110.10 1mzu n GLY 59 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.69 3.53 -0.05 1.61 1.81 -0.78 -4.76 118.95 119.61 1mzu s ARG 60 Ca 0.00 -0.25 -0.30 0.00 -1.72 0.00 0.00 55.73 53.47 1mzu s ARG 60 Cb 0.00 -2.98 -0.04 0.00 -0.45 0.00 0.00 34.95 31.48 1mzu s ARG 60 CO 0.00 0.57 1.26 1.21 -0.68 0.00 0.00 175.30 177.66 1mzu s ASN 61 N -2.31 6.99 0.12 0.23 3.84 -1.26 -1.03 114.94 121.52 1mzu s ASN 61 Ca 0.35 1.88 -0.20 0.00 0.21 0.00 0.00 52.86 55.11 1mzu s ASN 61 Cb -0.13 -2.56 -0.07 0.00 -0.55 0.00 0.00 41.25 37.95 1mzu s ASN 61 CO 0.24 -0.64 1.78 0.15 -2.79 0.00 0.00 177.10 175.84 1mzu h PHE 62 N 7.66 0.25 0.07 0.43 3.57 -1.21 -1.54 116.94 126.17 1mzu h PHE 62 Ca -0.34 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 60.90 1mzu h PHE 62 Cb 1.16 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.82 1mzu h PHE 62 CO 0.75 0.16 -1.11 0.74 -2.23 0.00 0.00 178.31 176.61 1mzu h PHE 63 N 0.27 0.68 0.00 0.41 0.04 -1.77 0.61 116.94 117.18 1mzu h PHE 63 Ca 0.08 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1mzu h PHE 63 Cb -0.03 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1mzu h PHE 63 CO -0.07 1.27 -1.45 0.25 -0.60 0.00 0.00 178.31 177.72 1mzu n THR 64 N -3.69 0.06 0.01 -1.55 -2.24 -1.24 -3.74 114.28 101.88 1mzu n THR 64 Ca -0.09 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1mzu n THR 64 Cb 0.93 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.97 0.00 0.00 -0.78 1.02 -0.68 -4.85 120.64 113.38 1mzu n GLU 65 Ca -0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1mzu n GLU 65 Cb 0.47 -0.37 -0.14 0.00 -0.02 0.00 0.00 31.44 31.37 1mzu n GLU 65 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1mzu h VAL 66 N 0.00 1.47 -2.41 2.62 2.07 -1.33 -3.42 116.25 115.25 1mzu h VAL 66 Ca 0.00 -2.45 -0.59 0.00 0.82 0.00 0.00 66.70 64.48 1mzu h VAL 66 Cb 0.66 3.11 -0.41 0.00 -1.52 0.00 0.00 31.29 33.14 1mzu h VAL 66 CO 0.00 0.67 -0.78 0.00 0.02 0.00 0.00 177.57 177.48 1mzu n ALA 67 N -2.75 3.31 0.29 1.67 0.00 0.21 -4.95 120.51 118.28 1mzu n ALA 67 Ca -0.16 -4.09 0.18 0.00 0.00 0.00 0.00 53.44 49.37 1mzu n ALA 67 Cb 0.74 -0.89 0.78 0.00 0.00 0.00 0.00 19.45 20.09 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 4.72 0.00 0.00 0.00 0.13 -1.75 -2.66 132.00 132.45 1mzu h PRO 68 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1mzu h PRO 68 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1mzu h PRO 68 CO 0.63 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1mzu n THR 70 N -2.60 0.00 -1.61 0.00 -2.24 -1.00 -4.57 114.28 102.26 1mzu n THR 70 Ca -0.00 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 1mzu n THR 70 Cb 0.16 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.82 7.96 -4.18 3.42 2.85 -0.57 -1.76 115.26 122.15 1mzu n ASN 71 Ca 0.11 -2.80 -0.12 0.00 -0.11 0.00 0.00 54.58 51.66 1mzu n ASN 71 Cb 0.34 -1.50 -0.10 0.00 1.24 0.00 0.00 39.78 39.76 1mzu n ASN 71 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1mzu s ILE 72 N 1.13 0.79 0.41 -1.44 -4.36 -1.26 -4.94 121.20 111.54 1mzu s ILE 72 Ca 0.62 -1.91 0.20 0.00 -0.26 0.00 0.00 60.65 59.30 1mzu s ILE 72 Cb 0.17 -1.65 0.41 0.00 1.25 0.00 0.00 42.46 42.64 1mzu s ILE 72 CO -0.07 -0.81 1.78 -0.65 0.24 0.00 0.00 174.94 175.43 1mzu h PRO 73 N 3.03 0.34 0.00 0.37 0.11 -1.94 -1.50 132.00 132.41 1mzu h PRO 73 Ca -0.36 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1mzu h PRO 73 Cb 1.17 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1mzu h PRO 73 CO 0.63 0.23 -0.01 0.00 -0.21 0.00 0.00 178.00 178.64 1mzu h ALA 74 N 1.60 1.01 -2.04 -0.75 0.00 -1.95 -2.60 119.26 114.52 1mzu h ALA 74 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1mzu h ALA 74 Cb 1.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1mzu h ALA 74 CO -0.26 0.01 0.00 0.34 0.00 0.00 0.00 179.25 179.34 1mzu n PHE 75 N -3.11 0.00 0.12 0.00 -0.00 -0.66 -4.69 117.46 109.13 1mzu n PHE 75 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1mzu n PHE 75 Cb 0.22 0.03 0.43 0.00 -0.00 0.00 0.00 39.48 40.16 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 0.22 -0.52 -2.13 4.64 -0.47 -2.46 113.55 112.83 1mzu h SER 76 Ca 0.00 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1mzu h SER 76 Cb 0.00 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1mzu h SER 76 CO 0.00 0.32 0.05 1.23 -0.87 0.00 0.00 176.83 177.55 1mzu h GLY 77 N 0.61 1.01 1.58 -0.77 0.00 -1.46 -1.67 103.07 102.37 1mzu h GLY 77 Ca 0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1mzu h GLY 77 CO 0.01 0.63 -0.34 3.21 0.00 0.00 0.00 176.54 180.04 1mzu h ARG 78 N 0.88 0.48 -0.03 4.80 3.08 -1.11 -2.58 114.38 119.90 1mzu h ARG 78 Ca 0.17 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1mzu h ARG 78 Cb 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1mzu h ARG 78 CO 0.02 0.76 -0.00 0.35 -1.07 0.00 0.00 179.97 180.03 1mzu h PHE 79 N 0.41 0.06 -0.17 3.04 3.57 -1.10 -1.74 116.94 121.00 1mzu h PHE 79 Ca 0.05 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1mzu h PHE 79 Cb 0.80 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1mzu h PHE 79 CO 0.03 0.35 -0.10 0.52 -2.23 0.00 0.00 178.31 176.88 1mzu h MET 80 N -0.25 0.27 -0.28 1.11 2.86 -1.29 -1.99 114.93 115.36 1mzu h MET 80 Ca 0.01 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 1mzu h MET 80 Cb 0.33 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1mzu h MET 80 CO 0.00 0.38 -0.46 -0.44 1.06 0.00 0.00 176.91 177.45 1mzu h ASP 81 N 0.26 0.79 0.11 1.22 3.45 -1.37 -2.51 116.42 118.37 1mzu h ASP 81 Ca 0.05 -0.39 -0.19 0.00 0.43 0.00 0.00 57.03 56.94 1mzu h ASP 81 Cb 0.34 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1mzu h ASP 81 CO 0.02 1.13 -0.69 1.23 -1.57 0.00 0.00 179.24 179.36 1mzu h GLY 82 N 0.91 0.58 0.97 2.75 0.00 -0.98 -2.89 103.07 104.42 1mzu h GLY 82 Ca 0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.44 1mzu h GLY 82 CO 0.10 0.70 -0.42 -2.08 0.00 0.00 0.00 176.54 174.84 1mzu h VAL 83 N 0.38 1.32 -0.07 4.60 2.07 -1.37 -1.76 116.25 121.42 1mzu h VAL 83 Ca -0.02 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.77 1mzu h VAL 83 Cb 1.27 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1mzu h VAL 83 CO 0.13 0.51 -0.35 0.74 0.02 0.00 0.00 177.57 178.62 1mzu h THR 84 N 0.37 1.27 0.00 2.57 2.02 -1.53 -2.89 112.91 114.72 1mzu h THR 84 Ca 0.01 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1mzu h THR 84 Cb 1.02 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1mzu h THR 84 CO 0.09 0.39 -0.76 -1.54 0.37 0.00 0.00 175.52 174.07 1mzu n SER 85 N -4.09 0.66 0.00 4.18 3.41 -1.09 -4.97 113.62 111.72 1mzu n SER 85 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1mzu n SER 85 Cb 0.42 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 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 1.35 1.01 2.69 5.00 0.00 -0.76 -5.02 105.19 109.46 1mzu n GLY 86 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.69 0.24 -0.30 2.61 2.01 -0.74 -4.99 115.64 111.79 1mzu s THR 87 Ca 0.00 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 1mzu s THR 87 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1mzu s THR 87 CO 0.00 -0.17 0.18 -0.22 -0.69 0.00 0.00 174.62 173.72 1mzu s LEU 88 N 2.00 4.10 -0.39 4.42 2.96 -1.24 -4.49 118.68 126.03 1mzu s LEU 88 Ca 0.01 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1mzu s LEU 88 Cb -0.16 -2.08 0.16 0.00 0.50 0.00 0.00 46.19 44.62 1mzu s LEU 88 CO -0.08 -0.12 0.45 -0.62 -1.32 0.00 0.00 176.35 174.65 1mzu s ASP 89 N 1.70 0.50 -0.01 3.68 3.68 -1.23 -3.37 116.67 121.62 1mzu s ASP 89 Ca 0.06 -1.53 0.03 0.00 2.13 0.00 0.00 52.55 53.24 1mzu s ASP 89 Cb -0.16 0.86 -0.01 0.00 -1.45 0.00 0.00 42.92 42.16 1mzu s ASP 89 CO 0.09 -0.22 -0.11 0.00 0.13 0.00 0.00 175.17 175.06 1mzu s ALA 90 N 1.38 0.91 -0.14 3.66 0.00 -0.72 -4.99 121.76 121.86 1mzu s ALA 90 Ca 0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1mzu s ALA 90 Cb -0.11 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 22.83 1mzu s ALA 90 CO -0.04 0.22 0.12 1.03 0.00 0.00 0.00 175.76 177.09 1mzu s ARG 91 N -0.22 0.05 0.09 0.00 0.52 -1.26 -0.41 118.95 117.72 1mzu s ARG 91 Ca 0.04 0.17 -0.21 0.00 -0.52 0.00 0.00 55.73 55.21 1mzu s ARG 91 Cb -0.05 -1.19 0.05 0.00 0.52 0.00 0.00 34.95 34.29 1mzu s ARG 91 CO -0.00 -0.54 0.50 -0.59 0.02 0.00 0.00 175.30 174.68 1mzu s PHE 92 N 2.21 -0.38 0.13 -0.53 -0.71 -0.76 -5.00 117.98 112.94 1mzu s PHE 92 Ca 0.04 0.28 -0.15 0.00 -1.04 0.00 0.00 56.93 56.05 1mzu s PHE 92 Cb -0.14 0.35 -0.07 0.00 -1.21 0.00 0.00 43.02 41.94 1mzu s PHE 92 CO -0.08 -0.69 0.56 -0.51 -1.34 0.00 0.00 175.22 173.16 1mzu s ASP 93 N -2.32 6.88 0.20 1.98 1.11 -1.26 0.07 116.67 123.33 1mzu s ASP 93 Ca -0.02 1.12 -0.08 0.00 0.18 0.00 0.00 52.55 53.75 1mzu s ASP 93 Cb -0.00 -2.31 -0.02 0.00 1.07 0.00 0.00 42.92 41.67 1mzu s ASP 93 CO -0.06 0.14 0.31 0.12 1.18 0.00 0.00 175.17 176.86 1mzu s PHE 94 N -1.39 0.59 -0.15 4.23 5.36 -0.37 -4.92 117.98 121.32 1mzu s PHE 94 Ca 0.36 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 1mzu s PHE 94 Cb -0.16 -0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.44 1mzu s PHE 94 CO 0.19 -0.79 -0.15 0.08 -1.46 0.00 0.00 175.22 173.09 1mzu s VAL 95 N -4.04 1.64 -0.29 3.12 1.01 -1.26 -0.92 120.40 119.66 1mzu s VAL 95 Ca 0.25 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1mzu s VAL 95 Cb 0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1mzu s VAL 95 CO 0.06 0.47 0.60 -0.36 0.00 0.00 0.00 175.10 175.87 1mzu s PHE 96 N 1.46 3.23 -1.28 5.22 2.99 -0.42 -4.92 117.98 124.26 1mzu s PHE 96 Ca 0.05 0.61 -0.08 0.00 0.00 0.00 0.00 56.93 57.51 1mzu s PHE 96 Cb -0.13 -2.91 0.17 0.00 0.00 0.00 0.00 43.02 40.15 1mzu s PHE 96 CO -0.11 -0.41 1.99 -3.47 -0.00 0.00 0.00 175.22 173.22 1mzu n ASP 97 N 5.77 6.04 -3.25 1.36 2.03 -1.26 -1.69 116.55 125.55 1mzu n ASP 97 Ca -0.02 -3.15 -0.21 0.00 0.52 0.00 0.00 54.79 51.93 1mzu n ASP 97 Cb 0.49 -1.43 0.17 0.00 -0.72 0.00 0.00 41.12 39.64 1mzu n ASP 97 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1mzu n PHE 98 N 3.02 -3.65 0.13 -0.67 0.99 -1.26 -4.97 117.46 111.05 1mzu n PHE 98 Ca 0.45 -0.70 -0.22 0.00 -0.00 0.00 0.00 57.45 56.98 1mzu n PHE 98 Cb 0.33 -0.80 -0.15 0.00 -1.00 0.00 0.00 39.48 37.86 1mzu n PHE 98 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1mzu h GLN 99 N 0.00 0.47 0.54 -1.08 -0.00 -1.97 -3.38 115.11 109.69 1mzu h GLN 99 Ca -0.29 -0.78 -0.03 0.00 -0.00 0.00 0.00 58.65 57.55 1mzu h GLN 99 Cb 0.88 0.29 0.01 0.00 0.00 0.00 0.00 27.48 28.65 1mzu h GLN 99 CO 0.19 1.37 -0.26 0.52 0.00 0.00 0.00 178.83 180.65 1mzu h MET 100 N 0.14 -0.70 -1.18 1.69 0.00 -2.00 -3.48 114.93 109.40 1mzu h MET 100 Ca -0.21 0.05 0.20 0.00 0.00 0.00 0.00 59.70 59.74 1mzu h MET 100 Cb 2.09 0.16 -0.26 0.00 0.00 0.00 0.00 31.60 33.58 1mzu h MET 100 CO 0.25 -0.40 0.86 0.00 0.00 0.00 0.00 176.91 177.62 1mzu s ALA 101 N -5.33 -2.07 0.45 6.32 0.00 -1.26 -5.16 121.76 114.71 1mzu s ALA 101 Ca -0.15 1.82 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 1mzu s ALA 101 Cb 0.02 -1.33 -0.07 0.00 0.00 0.00 0.00 23.12 21.74 1mzu s ALA 101 CO 0.54 -0.25 1.25 -1.25 0.00 0.00 0.00 175.76 176.05 1mzu s PRO 102 N -1.03 3.73 -0.06 0.00 0.04 -1.26 -4.29 135.00 132.12 1mzu s PRO 102 Ca 0.06 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1mzu s PRO 102 Cb -0.01 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1mzu s PRO 102 CO -0.06 -0.64 -0.17 0.08 0.04 0.00 0.00 177.00 176.25 1mzu s VAL 103 N -1.39 1.45 0.08 -0.36 1.01 -0.68 -4.96 120.40 115.55 1mzu s VAL 103 Ca 0.62 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1mzu s VAL 103 Cb -0.34 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1mzu s VAL 103 CO 0.42 0.42 1.03 -0.13 0.00 0.00 0.00 175.10 176.85 1mzu s ARG 104 N 0.32 4.59 0.13 2.72 0.52 -1.26 -1.31 118.95 124.66 1mzu s ARG 104 Ca -0.11 1.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 1mzu s ARG 104 Cb -0.14 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1mzu s ARG 104 CO 0.04 0.03 0.01 0.14 0.02 0.00 0.00 175.30 175.54 1mzu s VAL 105 N 0.44 0.37 -0.14 3.52 -7.23 -0.10 -4.64 120.40 112.62 1mzu s VAL 105 Ca 0.51 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1mzu s VAL 105 Cb -0.25 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.73 1mzu s VAL 105 CO 0.30 -0.58 -0.21 -1.58 -0.31 0.00 0.00 175.10 172.73 1mzu s GLN 106 N -3.97 3.07 0.02 4.82 -0.44 0.01 -1.24 119.66 121.94 1mzu s GLN 106 Ca 0.21 -0.83 0.01 0.00 -2.50 0.00 0.00 55.36 52.24 1mzu s GLN 106 Cb 0.07 -2.46 -0.04 0.00 -1.64 0.00 0.00 33.01 28.94 1mzu s GLN 106 CO 0.00 0.02 0.08 0.42 0.50 0.00 0.00 175.29 176.31 1mzu s ILE 107 N 0.75 4.67 -0.09 -2.34 -1.09 0.11 -1.90 121.20 121.31 1mzu s ILE 107 Ca -0.08 -0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1mzu s ILE 107 Cb -0.16 -3.17 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1mzu s ILE 107 CO -0.00 0.28 0.05 -0.60 -1.23 0.00 0.00 174.94 173.43 1mzu s ARG 108 N -1.95 0.24 -0.15 2.79 6.06 -0.09 -1.84 118.95 124.01 1mzu s ARG 108 Ca 0.25 0.11 -0.01 0.00 -2.50 0.00 0.00 55.73 53.58 1mzu s ARG 108 Cb -0.12 -1.10 -0.02 0.00 0.06 0.00 0.00 34.95 33.77 1mzu s ARG 108 CO 0.17 -0.43 -0.10 -1.64 -2.50 0.00 0.00 175.30 170.80 1mzu s MET 109 N 2.07 3.44 0.18 5.12 -1.94 0.46 0.58 119.30 129.20 1mzu s MET 109 Ca 0.04 -0.64 -0.14 0.00 -1.71 0.00 0.00 55.69 53.24 1mzu s MET 109 Cb -0.13 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 33.97 1mzu s MET 109 CO -0.05 0.15 0.41 1.14 -0.01 0.00 0.00 175.02 176.66 1mzu s GLN 110 N 0.54 1.27 0.46 2.03 -2.07 -0.24 -1.76 119.66 119.89 1mzu s GLN 110 Ca -0.07 -1.00 -0.23 0.00 -1.82 0.00 0.00 55.36 52.25 1mzu s GLN 110 Cb -0.15 0.45 -0.08 0.00 -1.09 0.00 0.00 33.01 32.15 1mzu s GLN 110 CO 0.03 -0.51 1.13 -0.80 -1.32 0.00 0.00 175.29 173.83 1mzu s ASN 111 N -2.91 6.23 0.48 12.60 0.02 -1.22 0.10 114.94 130.24 1mzu s ASN 111 Ca 0.12 2.22 0.05 0.00 -1.02 0.00 0.00 52.86 54.24 1mzu s ASN 111 Cb 0.01 -2.59 0.02 0.00 0.02 0.00 0.00 41.25 38.70 1mzu s ASN 111 CO -0.02 -0.87 0.66 0.00 0.02 0.00 0.00 177.10 176.89 1mzu s ALA 112 N -1.61 4.23 -0.48 0.60 0.00 -1.05 -4.67 121.76 118.78 1mzu s ALA 112 Ca 0.64 -1.50 0.26 0.00 0.00 0.00 0.00 51.96 51.35 1mzu s ALA 112 Cb -0.26 -1.84 0.71 0.00 0.00 0.00 0.00 23.12 21.73 1mzu s ALA 112 CO 0.32 -0.48 1.73 0.78 0.00 0.00 0.00 175.76 178.10 1mzu h GLY 113 N 0.39 0.00 -5.71 0.00 0.00 -1.87 -3.45 103.07 92.44 1mzu h GLY 113 Ca -0.41 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.29 1mzu h GLY 113 CO 0.49 0.00 -0.40 0.14 0.00 0.00 0.00 176.54 176.77 1mzu s VAL 114 N -3.24 5.36 0.39 4.60 1.01 -1.26 -5.07 120.40 122.19 1mzu s VAL 114 Ca 0.07 0.40 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 1mzu s VAL 114 Cb 0.09 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.83 1mzu s VAL 114 CO 0.60 0.52 1.17 -2.65 0.00 0.00 0.00 175.10 174.74 1mzu n PRO 115 N 2.62 1.73 -2.19 2.72 -0.02 -1.26 -2.77 135.00 135.82 1mzu n PRO 115 Ca -0.16 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.74 1mzu n PRO 115 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1mzu n PRO 115 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1mzu n ASP 116 N 0.49 -5.28 -4.14 2.55 4.64 -1.26 -4.98 116.55 108.57 1mzu n ASP 116 Ca 0.07 0.14 -0.24 0.00 -1.38 0.00 0.00 54.79 53.38 1mzu n ASP 116 Cb 0.38 -4.48 -0.15 0.00 -1.04 0.00 0.00 41.12 35.82 1mzu n ASP 116 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1mzu s ARG 117 N -4.68 1.41 0.02 -0.67 1.81 -1.11 -3.46 118.95 112.27 1mzu s ARG 117 Ca 0.00 -0.59 0.01 0.00 -1.72 0.00 0.00 55.73 53.43 1mzu s ARG 117 Cb 0.00 -1.33 -0.02 0.00 -0.45 0.00 0.00 34.95 33.15 1mzu s ARG 117 CO 0.00 0.33 -0.04 0.71 -0.68 0.00 0.00 175.30 175.62 1mzu s TYR 118 N -0.30 0.33 -0.10 -0.53 1.51 0.57 -2.52 117.35 116.31 1mzu s TYR 118 Ca 0.04 -0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1mzu s TYR 118 Cb -0.07 -0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 41.52 1mzu s TYR 118 CO -0.00 -0.13 0.00 -1.58 -1.11 0.00 0.00 175.55 172.73 1mzu s TRP 119 N -1.20 3.16 -0.23 2.71 0.52 0.12 -0.94 118.94 123.07 1mzu s TRP 119 Ca -0.12 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.14 1mzu s TRP 119 Cb -0.08 -1.84 0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1mzu s TRP 119 CO -0.01 0.38 -0.12 0.42 0.02 0.00 0.00 176.95 177.64 1mzu s ILE 120 N -0.60 2.30 -0.18 2.03 1.01 -0.07 -1.08 121.20 124.62 1mzu s ILE 120 Ca 0.10 -1.29 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 1mzu s ILE 120 Cb -0.12 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1mzu s ILE 120 CO 0.02 0.19 0.04 -0.36 0.00 0.00 0.00 174.94 174.84 1mzu s PHE 121 N 1.21 3.21 -0.13 3.97 0.08 0.20 -1.41 117.98 125.11 1mzu s PHE 121 Ca -0.03 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.04 1mzu s PHE 121 Cb -0.17 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1mzu s PHE 121 CO -0.07 0.12 -0.17 0.08 -0.10 0.00 0.00 175.22 175.08 1mzu s VAL 122 N 0.36 1.69 0.01 -0.44 1.01 -0.04 -0.92 120.40 122.08 1mzu s VAL 122 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1mzu s VAL 122 Cb -0.13 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1mzu s VAL 122 CO 0.01 0.48 -0.09 -0.60 0.00 0.00 0.00 175.10 174.89 1mzu s ARG 123 N 1.04 0.70 0.00 2.72 6.06 -0.80 0.45 118.95 129.13 1mzu s ARG 123 Ca -0.04 -0.46 0.00 0.00 -2.50 0.00 0.00 55.73 52.73 1mzu s ARG 123 Cb -0.15 -0.66 0.00 0.00 0.06 0.00 0.00 34.95 34.21 1mzu s ARG 123 CO -0.04 0.17 0.00 1.63 -2.50 0.00 0.00 175.30 174.56