#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzb h ALA 7 N 0.00 0.73 -0.09 6.98 0.00 -2.00 0.98 119.26 125.86 1zzb h ALA 7 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1zzb h ALA 7 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1zzb h ALA 7 CO 0.00 0.54 -0.70 0.66 0.00 0.00 0.00 179.25 179.75 1zzb h SER 8 N 0.83 0.48 -0.26 0.00 4.64 -1.93 -0.85 113.55 116.46 1zzb h SER 8 Ca 0.16 -0.31 -0.11 0.00 -0.47 0.00 0.00 61.79 61.06 1zzb h SER 8 Cb 0.52 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1zzb h SER 8 CO 0.03 1.03 -0.28 0.74 -0.87 0.00 0.00 176.83 177.48 1zzb h THR 9 N 0.29 1.31 -0.40 2.95 2.02 -1.77 -1.10 112.91 116.21 1zzb h THR 9 Ca -0.02 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 1zzb h THR 9 Cb 1.26 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1zzb h THR 9 CO 0.12 0.46 0.19 1.23 0.37 0.00 0.00 175.52 177.89 1zzb h GLY 10 N 0.38 0.62 1.18 2.16 0.00 0.11 -2.28 103.07 105.23 1zzb h GLY 10 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1zzb h GLY 10 CO 0.07 0.29 0.49 -2.75 0.00 0.00 0.00 176.54 174.64 1zzb h PHE 11 N 0.50 1.06 -0.17 5.60 3.04 -1.10 -0.66 116.94 125.21 1zzb h PHE 11 Ca 0.14 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.12 1zzb h PHE 11 Cb 0.13 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 1zzb h PHE 11 CO -0.01 0.70 -0.04 0.00 -2.02 0.00 0.00 178.31 176.94 1zzb h ALA 12 N 1.43 0.12 -0.13 2.41 0.00 -0.65 0.43 119.26 122.86 1zzb h ALA 12 Ca 0.29 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1zzb h ALA 12 Cb -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1zzb h ALA 12 CO -0.06 -0.47 -0.16 1.05 0.00 0.00 0.00 179.25 179.61 1zzb h GLU 13 N 0.01 0.34 -0.18 0.00 9.09 -1.15 -2.58 114.58 120.10 1zzb h GLU 13 Ca 0.08 -0.19 -0.08 0.00 0.05 0.00 0.00 59.36 59.23 1zzb h GLU 13 Cb 0.12 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 1zzb h GLU 13 CO -0.17 0.75 -0.24 -0.07 0.05 0.00 0.00 179.01 179.33 1zzb h LEU 14 N -0.06 0.32 0.08 3.06 3.38 -1.03 -1.85 115.31 119.22 1zzb h LEU 14 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1zzb h LEU 14 Cb 0.70 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1zzb h LEU 14 CO 0.04 0.57 -0.04 0.25 0.09 0.00 0.00 178.44 179.34 1zzb h LEU 15 N 0.29 -0.10 -0.23 1.67 5.85 -0.13 -1.37 115.31 121.29 1zzb h LEU 15 Ca 0.05 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1zzb h LEU 15 Cb 0.59 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1zzb h LEU 15 CO 0.04 0.12 -0.15 0.50 -0.34 0.00 0.00 178.44 178.61 1zzb h LYS 16 N -0.32 -0.14 0.04 1.25 3.64 -1.27 -1.37 116.57 118.41 1zzb h LYS 16 Ca -0.01 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1zzb h LYS 16 Cb 0.27 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1zzb h LYS 16 CO 0.02 -0.09 -0.16 -0.44 -2.27 0.00 0.00 179.45 176.51 1zzb h ASP 17 N -0.14 -0.45 -0.57 4.20 3.45 -1.23 -1.07 116.42 120.61 1zzb h ASP 17 Ca 0.13 0.06 0.04 0.00 0.43 0.00 0.00 57.03 57.69 1zzb h ASP 17 Cb 0.33 0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.24 1zzb h ASP 17 CO -0.31 -0.22 0.32 -0.09 -1.57 0.00 0.00 179.24 177.36 1zzb h ARG 18 N -0.28 0.59 -0.99 3.56 9.65 -0.99 -0.02 114.38 125.90 1zzb h ARG 18 Ca 0.04 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1zzb h ARG 18 Cb 0.33 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.72 1zzb h ARG 18 CO -0.12 0.39 0.65 -0.09 2.80 0.00 0.00 179.97 183.60 1zzb h ARG 19 N 0.61 1.29 -0.54 0.20 2.43 -1.02 -2.09 114.38 115.26 1zzb h ARG 19 Ca 0.24 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1zzb h ARG 19 Cb 0.10 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1zzb h ARG 19 CO -0.14 0.86 0.04 0.93 -1.51 0.00 0.00 179.97 180.15 1zzb h GLU 20 N 1.33 0.92 0.00 0.20 5.08 -0.32 -1.11 114.58 120.68 1zzb h GLU 20 Ca 0.36 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1zzb h GLU 20 Cb -0.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1zzb h GLU 20 CO -0.08 0.92 0.00 -0.56 -1.00 0.00 0.00 179.01 178.28 1zzb h GLN 21 N 0.80 0.00 -0.69 2.33 3.07 -0.40 -1.31 115.11 118.91 1zzb h GLN 21 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1zzb h GLN 21 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1zzb h GLN 21 CO 0.02 0.00 0.00 1.33 0.09 0.00 0.00 178.83 180.27 1zzb n VAL 22 N -3.01 0.91 -1.90 1.86 0.24 -0.85 -4.95 118.33 110.63 1zzb n VAL 22 Ca 0.00 -0.92 -0.17 0.00 -2.04 0.00 0.00 64.34 61.21 1zzb n VAL 22 Cb 0.28 0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 33.09 1zzb n VAL 22 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1zzb n LYS 23 N 1.53 -1.25 -3.61 7.34 4.76 -0.50 -5.01 118.16 121.42 1zzb n LYS 23 Ca 0.23 0.95 -0.31 0.00 -2.87 0.00 0.00 58.31 56.31 1zzb n LYS 23 Cb 0.59 -5.27 -0.05 0.00 -1.84 0.00 0.00 35.03 28.46 1zzb n LYS 23 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1zzb s MET 24 N -4.12 3.66 0.30 1.97 -1.94 -0.45 -5.02 119.30 113.70 1zzb s MET 24 Ca 0.00 -0.01 0.08 0.00 -1.71 0.00 0.00 55.69 54.06 1zzb s MET 24 Cb 0.00 -2.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 1zzb s MET 24 CO 0.00 0.43 0.15 0.16 -0.01 0.00 0.00 175.02 175.75 1zzb s ASP 25 N -2.43 4.95 0.29 3.03 3.84 -1.26 -4.47 116.67 120.61 1zzb s ASP 25 Ca 0.43 -0.58 -0.04 0.00 -0.00 0.00 0.00 52.55 52.36 1zzb s ASP 25 Cb -0.12 -0.95 0.57 0.00 -1.38 0.00 0.00 42.92 41.05 1zzb s ASP 25 CO 0.24 -0.18 1.53 1.41 -0.00 0.00 0.00 175.17 178.17 1zzb n HIS 26 N -1.14 0.47 -0.26 2.11 8.25 -1.26 -0.70 115.22 122.68 1zzb n HIS 26 Ca -0.05 1.19 -0.07 0.00 -0.26 0.00 0.00 57.72 58.53 1zzb n HIS 26 Cb 0.60 -1.14 0.05 0.00 1.12 0.00 0.00 29.99 30.62 1zzb n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zzb h ALA 27 N 1.96 0.93 0.15 -1.41 0.00 -1.95 -0.33 119.26 118.61 1zzb h ALA 27 Ca 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1zzb h ALA 27 Cb 0.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1zzb h ALA 27 CO -0.97 0.61 -0.15 0.00 0.00 0.00 0.00 179.25 178.73 1zzb h ALA 28 N 1.11 -0.30 -0.08 0.00 0.00 -1.30 -2.04 119.26 116.65 1zzb h ALA 28 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zzb h ALA 28 Cb 0.30 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1zzb h ALA 28 CO -0.01 -0.69 0.02 1.25 0.00 0.00 0.00 179.25 179.82 1zzb h LEU 29 N -0.33 0.12 -0.71 0.00 5.85 -1.38 -2.99 115.31 115.87 1zzb h LEU 29 Ca 0.00 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.63 1zzb h LEU 29 Cb 0.32 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 1zzb h LEU 29 CO -0.04 0.32 0.26 0.00 -0.34 0.00 0.00 178.44 178.63 1zzb h ALA 30 N 0.81 0.96 0.17 1.25 0.00 -0.96 -1.80 119.26 119.68 1zzb h ALA 30 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1zzb h ALA 30 Cb 0.24 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1zzb h ALA 30 CO 0.00 -0.23 -0.08 0.66 0.00 0.00 0.00 179.25 179.60 1zzb h SER 31 N 0.40 -0.19 -0.19 0.00 4.64 -1.38 0.38 113.55 117.22 1zzb h SER 31 Ca 0.38 -0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.65 1zzb h SER 31 Cb 0.57 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1zzb h SER 31 CO -0.40 -0.01 0.34 -0.07 -0.87 0.00 0.00 176.83 175.83 1zzb h LEU 32 N -0.37 0.00 0.00 5.97 3.38 -1.27 -0.48 115.31 122.53 1zzb h LEU 32 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1zzb h LEU 32 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1zzb h LEU 32 CO 0.04 0.00 -0.85 0.18 0.09 0.00 0.00 178.44 177.90 1zzb n LEU 33 N -3.35 0.75 -0.36 1.67 4.77 -0.73 -4.99 117.00 114.75 1zzb n LEU 33 Ca 0.02 -0.47 -0.02 0.00 -0.03 0.00 0.00 56.01 55.51 1zzb n LEU 33 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1zzb n LEU 33 CO 0.21 0.19 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 1zzb n GLY 34 N 1.40 0.37 3.64 -0.72 0.00 0.97 -5.05 105.19 105.81 1zzb n GLY 34 Ca 0.03 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1zzb n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zzb s GLU 35 N -4.30 2.03 0.09 1.61 0.41 0.87 -5.01 118.70 114.40 1zzb s GLU 35 Ca 0.01 -2.24 -0.03 0.00 -0.41 0.00 0.00 54.97 52.30 1zzb s GLU 35 Cb -0.01 -1.27 -0.05 0.00 -1.78 0.00 0.00 34.13 31.03 1zzb s GLU 35 CO 0.01 -0.31 0.29 0.95 -0.49 0.00 0.00 175.26 175.72 1zzb s THR 36 N -2.97 5.27 0.55 3.63 -4.23 -1.26 -4.03 115.64 112.60 1zzb s THR 36 Ca 0.19 -0.11 0.24 0.00 -1.18 0.00 0.00 61.69 60.83 1zzb s THR 36 Cb 0.04 -3.62 0.35 0.00 1.34 0.00 0.00 72.50 70.61 1zzb s THR 36 CO 0.10 0.13 2.08 1.55 -0.54 0.00 0.00 174.62 177.94 1zzb h PRO 37 N 3.10 0.00 -0.32 3.99 0.13 -1.91 -0.97 132.00 136.02 1zzb h PRO 37 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1zzb h PRO 37 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1zzb h PRO 37 CO 0.73 0.00 0.13 0.93 -0.23 0.00 0.00 178.00 179.55 1zzb h GLU 38 N 0.00 0.48 -0.92 0.86 3.07 -1.93 -1.48 114.58 114.66 1zzb h GLU 38 Ca 0.12 -0.09 0.07 0.00 -0.50 0.00 0.00 59.36 58.96 1zzb h GLU 38 Cb 0.52 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.28 1zzb h GLU 38 CO -0.00 0.49 0.57 1.15 -1.40 0.00 0.00 179.01 179.82 1zzb h THR 39 N 0.37 1.03 -0.47 1.13 2.02 -1.58 -0.09 112.91 115.32 1zzb h THR 39 Ca 0.11 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1zzb h THR 39 Cb 0.19 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1zzb h THR 39 CO -0.01 0.19 0.15 0.58 0.37 0.00 0.00 175.52 176.80 1zzb h VAL 40 N 1.02 1.22 -0.90 3.16 2.07 -1.30 -2.28 116.25 119.24 1zzb h VAL 40 Ca 0.41 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.25 1zzb h VAL 40 Cb 0.23 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1zzb h VAL 40 CO -0.19 0.27 0.57 0.00 0.02 0.00 0.00 177.57 178.23 1zzb h ALA 41 N 1.00 1.25 -0.79 1.67 0.00 -0.19 -1.15 119.26 121.05 1zzb h ALA 41 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1zzb h ALA 41 Cb 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1zzb h ALA 41 CO -0.01 0.31 0.46 0.00 0.00 0.00 0.00 179.25 180.01 1zzb h ALA 42 N 1.43 1.01 -0.53 0.00 0.00 -0.61 -1.58 119.26 118.98 1zzb h ALA 42 Ca 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1zzb h ALA 42 Cb 0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1zzb h ALA 42 CO -0.18 0.50 0.31 -1.49 0.00 0.00 0.00 179.25 178.39 1zzb h TRP 43 N 1.09 0.71 0.00 0.00 6.55 -0.70 0.12 115.95 123.73 1zzb h TRP 43 Ca 0.28 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.11 1zzb h TRP 43 Cb -0.00 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.06 1zzb h TRP 43 CO -0.00 0.50 0.00 0.39 -1.05 0.00 0.00 178.44 178.28 1zzb n GLU 44 N -4.65 0.51 -0.32 0.49 1.02 -0.70 -1.46 120.64 115.52 1zzb n GLU 44 Ca 0.03 0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1zzb n GLU 44 Cb 0.07 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.21 1zzb n GLU 44 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1zzb n ASN 45 N -1.11 3.55 0.00 1.62 4.05 0.25 -4.70 115.26 118.93 1zzb n ASN 45 Ca 0.13 -2.25 0.00 0.00 0.45 0.00 0.00 54.58 52.91 1zzb n ASN 45 Cb 0.10 -0.38 0.00 0.00 1.23 0.00 0.00 39.78 40.73 1zzb n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1zzb n GLY 46 N 0.60 0.59 1.54 8.20 0.00 -0.53 -4.93 105.19 110.65 1zzb n GLY 46 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1zzb n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zzb n GLU 47 N -2.81 3.88 -0.37 1.61 1.02 -0.16 -4.30 120.64 119.50 1zzb n GLU 47 Ca 0.00 -2.45 0.07 0.00 -0.02 0.00 0.00 57.16 54.76 1zzb n GLU 47 Cb 0.00 -2.03 0.23 0.00 -0.02 0.00 0.00 31.44 29.63 1zzb n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zzb n GLY 48 N 0.62 1.71 0.34 0.62 0.00 -1.26 -4.52 105.19 102.70 1zzb n GLY 48 Ca 0.22 -0.55 0.17 0.00 0.00 0.00 0.00 46.02 45.86 1zzb n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1zzb h GLY 49 N 4.73 0.00 -0.03 -0.02 0.00 -1.90 -2.53 103.07 103.32 1zzb h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1zzb h GLY 49 CO 0.12 0.00 -0.51 1.18 0.00 0.00 0.00 176.54 177.33 1zzb n GLU 50 N -3.83 0.63 -1.65 4.80 -0.58 -1.26 -4.94 120.64 113.81 1zzb n GLU 50 Ca 0.02 -0.46 -0.44 0.00 -0.42 0.00 0.00 57.16 55.86 1zzb n GLU 50 Cb 0.34 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 1zzb n GLU 50 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1zzb n LEU 51 N -0.78 2.82 -4.91 -4.62 4.77 -0.96 -4.96 117.00 108.36 1zzb n LEU 51 Ca 0.08 1.18 -0.27 0.00 -0.03 0.00 0.00 56.01 56.97 1zzb n LEU 51 Cb 0.38 -1.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1zzb n LEU 51 CO 0.32 -0.78 0.60 0.42 -1.33 0.00 0.00 177.39 176.61 1zzb s THR 52 N -0.73 3.28 0.25 -5.08 -4.23 -1.26 -4.87 115.64 103.00 1zzb s THR 52 Ca 0.61 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1zzb s THR 52 Cb -0.65 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.07 1zzb s THR 52 CO 0.57 -0.38 1.80 0.25 -0.54 0.00 0.00 174.62 176.32 1zzb h LEU 53 N -0.38 0.65 -0.73 4.79 5.85 -1.99 -0.13 115.31 123.37 1zzb h LEU 53 Ca -0.45 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1zzb h LEU 53 Cb 1.27 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1zzb h LEU 53 CO 0.61 0.34 0.34 0.74 -0.34 0.00 0.00 178.44 180.13 1zzb h THR 54 N 0.75 1.24 -0.50 1.05 2.02 -2.00 -1.49 112.91 113.99 1zzb h THR 54 Ca 0.42 -0.69 -0.13 0.00 0.77 0.00 0.00 66.41 66.78 1zzb h THR 54 Cb 0.46 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1zzb h THR 54 CO -0.28 0.29 -0.20 1.56 0.37 0.00 0.00 175.52 177.26 1zzb h GLN 55 N 1.02 1.02 -0.71 6.66 4.20 -1.66 -2.45 115.11 123.20 1zzb h GLN 55 Ca 0.25 -0.43 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1zzb h GLN 55 Cb 0.14 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1zzb h GLN 55 CO -0.03 1.11 0.47 -0.07 -0.67 0.00 0.00 178.83 179.64 1zzb h LEU 56 N 0.88 0.77 -0.44 1.46 3.38 -0.74 -0.20 115.31 120.42 1zzb h LEU 56 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1zzb h LEU 56 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1zzb h LEU 56 CO 0.06 0.54 0.10 1.23 0.09 0.00 0.00 178.44 180.46 1zzb h GLY 57 N 0.90 0.76 0.98 0.83 0.00 -0.96 0.89 103.07 106.47 1zzb h GLY 57 Ca 0.27 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1zzb h GLY 57 CO -0.07 0.45 0.10 -0.09 0.00 0.00 0.00 176.54 176.93 1zzb h ARG 58 N 0.58 0.81 -0.50 4.80 9.65 -0.90 0.11 114.38 128.93 1zzb h ARG 58 Ca 0.14 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1zzb h ARG 58 Cb 0.33 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1zzb h ARG 58 CO 0.00 0.80 0.30 0.82 2.80 0.00 0.00 179.97 184.69 1zzb h ILE 59 N 0.69 1.16 -0.29 1.20 2.04 -0.89 -0.63 117.51 120.78 1zzb h ILE 59 Ca 0.15 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1zzb h ILE 59 Cb 0.37 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1zzb h ILE 59 CO 0.01 0.16 0.13 0.00 0.00 0.00 0.00 178.15 178.45 1zzb h ALA 60 N 1.14 0.38 -0.20 1.87 0.00 -0.52 -2.27 119.26 119.67 1zzb h ALA 60 Ca 0.18 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1zzb h ALA 60 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1zzb h ALA 60 CO -0.03 -0.04 -0.03 1.25 0.00 0.00 0.00 179.25 180.39 1zzb h HIS 61 N 0.33 -0.08 0.00 0.00 -0.00 -0.45 -1.52 115.15 113.43 1zzb h HIS 61 Ca 0.10 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.46 1zzb h HIS 61 Cb 0.15 0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1zzb h HIS 61 CO -0.01 -0.07 -0.13 0.28 -0.00 0.00 0.00 177.93 178.00 1zzb h VAL 62 N 0.02 0.66 -0.25 5.26 2.07 -1.04 -1.33 116.25 121.64 1zzb h VAL 62 Ca 0.09 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1zzb h VAL 62 Cb 0.14 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1zzb h VAL 62 CO -0.19 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.71 1zzb n LEU 63 N -3.76 2.01 -2.36 2.57 4.32 -0.73 -4.95 117.00 114.11 1zzb n LEU 63 Ca -0.02 -0.88 -0.21 0.00 -0.02 0.00 0.00 56.01 54.88 1zzb n LEU 63 Cb 0.24 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 41.87 1zzb n LEU 63 CO 0.31 0.44 -0.27 0.61 -1.22 0.00 0.00 177.39 177.27 1zzb n GLY 64 N 1.18 -0.38 0.00 -0.72 0.00 -0.50 -4.96 105.19 99.81 1zzb n GLY 64 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1zzb n GLY 64 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1zzb n THR 65 N -3.95 0.00 -3.40 2.61 5.66 -0.65 -5.03 114.28 109.52 1zzb n THR 65 Ca -0.25 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.56 1zzb n THR 65 Cb 0.69 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.46 1zzb n THR 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1zzb s SER 66 N -0.14 5.48 0.25 1.09 1.04 -1.26 -4.05 113.70 116.11 1zzb s SER 66 Ca 0.00 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1zzb s SER 66 Cb 0.00 -0.80 0.32 0.00 0.10 0.00 0.00 66.02 65.64 1zzb s SER 66 CO 0.00 -0.60 1.65 0.40 0.98 0.00 0.00 173.24 175.67 1zzb h ILE 67 N 0.91 1.30 -0.88 -1.02 2.04 -1.93 -2.84 117.51 115.08 1zzb h ILE 67 Ca -0.42 -1.49 0.04 0.00 1.00 0.00 0.00 64.86 63.98 1zzb h ILE 67 Cb 1.27 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.83 1zzb h ILE 67 CO 0.52 0.47 0.57 1.23 0.00 0.00 0.00 178.15 180.94 1zzb h GLY 68 N 1.09 1.29 2.00 5.37 0.00 -1.95 0.52 103.07 111.39 1zzb h GLY 68 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1zzb h GLY 68 CO 0.07 0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.97 1zzb h ALA 69 N 1.37 1.00 -0.02 3.60 0.00 -1.90 -2.39 119.26 120.91 1zzb h ALA 69 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1zzb h ALA 69 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1zzb h ALA 69 CO -0.12 0.00 -0.36 1.28 0.00 0.00 0.00 179.25 180.05 1zzb n LEU 70 N -2.99 2.00 -4.51 0.00 4.32 0.09 -4.93 117.00 110.98 1zzb n LEU 70 Ca -0.01 -0.80 -0.30 0.00 -0.02 0.00 0.00 56.01 54.88 1zzb n LEU 70 Cb 0.17 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.85 1zzb n LEU 70 CO 0.22 0.37 -0.47 0.42 -1.22 0.00 0.00 177.39 176.71 1zzb s THR 71 N -2.17 3.02 0.97 -5.08 -4.23 -0.67 -3.97 115.64 103.50 1zzb s THR 71 Ca 0.18 -1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1zzb s THR 71 Cb 0.16 -2.35 0.17 0.00 1.34 0.00 0.00 72.50 71.83 1zzb s THR 71 CO 0.47 0.20 1.09 -2.16 -0.54 0.00 0.00 174.62 173.68 1zzb s PRO 72 N -1.88 0.61 0.94 3.99 0.04 -1.26 -4.90 135.00 132.54 1zzb s PRO 72 Ca 0.18 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 1zzb s PRO 72 Cb -0.11 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.87 1zzb s PRO 72 CO 0.09 -2.75 1.10 -1.25 0.04 0.00 0.00 177.00 174.23 1zzb s PRO 73 N -4.71 0.93 0.41 0.56 0.04 -1.26 -4.91 135.00 126.06 1zzb s PRO 73 Ca 0.66 0.57 0.22 0.00 0.04 0.00 0.00 61.00 62.48 1zzb s PRO 73 Cb -0.21 -1.79 1.19 0.00 0.04 0.00 0.00 34.50 33.73 1zzb s PRO 73 CO 0.59 -2.40 1.74 0.00 0.04 0.00 0.00 177.00 176.97 1zzb h ALA 74 N -1.66 2.37 0.00 8.56 0.00 -1.96 -3.48 119.26 123.10 1zzb h ALA 74 Ca -0.52 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1zzb h ALA 74 Cb 1.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1zzb h ALA 74 CO 0.58 -0.83 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1zzb n GLY 75 N -1.49 1.43 3.14 0.00 0.00 -1.26 -4.97 105.19 102.04 1zzb n GLY 75 Ca 0.28 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1zzb n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1zzb s ASN 76 N 0.00 3.77 -0.16 1.61 3.04 -1.26 -3.82 114.94 118.12 1zzb s ASN 76 Ca 0.00 -0.84 0.17 0.00 0.04 0.00 0.00 52.86 52.24 1zzb s ASN 76 Cb 0.00 -1.56 0.46 0.00 -1.54 0.00 0.00 41.25 38.61 1zzb s ASN 76 CO 0.00 -0.07 1.34 -0.90 -3.04 0.00 0.00 177.10 174.43 1zzb n ASP 77 N 4.61 3.43 -4.91 -4.21 3.85 -1.26 -5.03 116.55 113.03 1zzb n ASP 77 Ca -0.18 -3.01 -0.30 0.00 -0.71 0.00 0.00 54.79 50.59 1zzb n ASP 77 Cb 0.48 -0.50 -0.04 0.00 -1.35 0.00 0.00 41.12 39.70 1zzb n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1zzb s LEU 78 N -2.78 4.27 -0.64 -2.12 1.43 -1.26 -4.89 118.68 112.69 1zzb s LEU 78 Ca 0.39 0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 1zzb s LEU 78 Cb 0.32 -3.22 0.16 0.00 0.03 0.00 0.00 46.19 43.48 1zzb s LEU 78 CO 0.07 0.05 0.57 -0.62 0.23 0.00 0.00 176.35 176.65 1zzb s ASP 79 N -2.62 6.26 -1.26 2.29 2.15 0.11 -4.45 116.67 119.14 1zzb s ASP 79 Ca 0.39 -2.21 -0.04 0.00 0.43 0.00 0.00 52.55 51.13 1zzb s ASP 79 Cb -0.12 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1zzb s ASP 79 CO 0.26 -0.70 1.08 0.47 -0.17 0.00 0.00 175.17 176.11 1zzb n ASP 80 N 4.62 -4.08 -0.02 -0.34 8.00 -1.26 -2.45 116.55 121.02 1zzb n ASP 80 Ca -0.02 -0.58 -0.00 0.00 0.71 0.00 0.00 54.79 54.91 1zzb n ASP 80 Cb 0.42 -5.04 -0.00 0.00 -0.02 0.00 0.00 41.12 36.48 1zzb n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zzb n GLY 81 N -1.54 0.47 3.01 0.44 0.00 -1.26 -5.03 105.19 101.28 1zzb n GLY 81 Ca -0.15 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 1zzb n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zzb s VAL 82 N -1.94 0.34 -0.08 1.61 1.01 -1.02 -5.04 120.40 115.28 1zzb s VAL 82 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1zzb s VAL 82 Cb 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1zzb s VAL 82 CO 0.00 -0.36 0.20 -0.51 0.00 0.00 0.00 175.10 174.43 1zzb s ILE 83 N -1.22 -0.02 0.24 2.22 2.07 -1.26 0.05 121.20 123.29 1zzb s ILE 83 Ca -0.10 0.07 0.09 0.00 -1.41 0.00 0.00 60.65 59.29 1zzb s ILE 83 Cb -0.09 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 1zzb s ILE 83 CO -0.00 0.03 -0.15 0.27 -1.91 0.00 0.00 174.94 173.18 1zzb s ILE 84 N 0.58 1.98 -0.06 2.00 -4.36 -1.26 -5.02 121.20 115.07 1zzb s ILE 84 Ca -0.04 -2.27 -0.02 0.00 -0.26 0.00 0.00 60.65 58.07 1zzb s ILE 84 Cb -0.05 -2.19 0.03 0.00 1.25 0.00 0.00 42.46 41.50 1zzb s ILE 84 CO -0.03 -0.49 0.03 -1.58 0.24 0.00 0.00 174.94 173.11 1zzb s GLN 85 N -3.61 0.27 0.67 0.37 0.74 -1.26 -5.01 119.66 111.82 1zzb s GLN 85 Ca 0.26 0.24 -0.12 0.00 0.05 0.00 0.00 55.36 55.79 1zzb s GLN 85 Cb -0.02 -0.74 -0.01 0.00 1.10 0.00 0.00 33.01 33.35 1zzb s GLN 85 CO 0.10 -0.31 1.06 -1.64 -0.55 0.00 0.00 175.29 173.95 1zzb s MET 86 N 2.04 3.08 0.37 1.67 -1.94 -1.26 -4.90 119.30 118.36 1zzb s MET 86 Ca 0.05 0.99 0.07 0.00 -1.71 0.00 0.00 55.69 55.09 1zzb s MET 86 Cb -0.12 -2.01 0.78 0.00 2.01 0.00 0.00 34.83 35.49 1zzb s MET 86 CO -0.04 -0.99 1.95 -1.35 -0.01 0.00 0.00 175.02 174.58 1zzb h PRO 87 N -0.43 0.69 0.00 2.03 0.11 -2.01 -2.89 132.00 129.50 1zzb h PRO 87 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1zzb h PRO 87 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1zzb h PRO 87 CO 0.57 0.46 -0.09 0.38 -0.21 0.00 0.00 178.00 179.11 1zzb h ASP 88 N 0.71 0.00 0.61 -2.05 2.03 -2.02 -3.14 116.42 112.56 1zzb h ASP 88 Ca 0.33 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1zzb h ASP 88 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1zzb h ASP 88 CO -0.11 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.48 1zzb n GLU 89 N -3.05 0.01 -1.71 4.15 1.02 -1.09 -4.84 120.64 115.14 1zzb n GLU 89 Ca 0.04 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 1zzb n GLU 89 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 1zzb n GLU 89 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1zzb s ARG 90 N -2.98 4.14 0.45 3.49 3.52 -1.19 -5.00 118.95 121.38 1zzb s ARG 90 Ca 0.09 2.58 -0.17 0.00 -0.13 0.00 0.00 55.73 58.10 1zzb s ARG 90 Cb 0.12 -3.94 -0.09 0.00 -1.56 0.00 0.00 34.95 29.48 1zzb s ARG 90 CO 0.33 -0.91 0.92 -1.25 -0.81 0.00 0.00 175.30 173.59 1zzb s PRO 91 N 3.79 4.04 0.00 5.12 0.04 -1.26 -4.89 135.00 141.85 1zzb s PRO 91 Ca 0.85 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.88 1zzb s PRO 91 Cb -0.43 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 1zzb s PRO 91 CO 0.39 -0.11 -0.18 0.96 0.04 0.00 0.00 177.00 178.09 1zzb s ILE 92 N -2.36 1.46 -0.03 0.56 -5.25 -1.26 -1.53 121.20 112.78 1zzb s ILE 92 Ca 0.59 -0.89 -0.02 0.00 -0.99 0.00 0.00 60.65 59.34 1zzb s ILE 92 Cb -0.10 -1.23 0.01 0.00 2.95 0.00 0.00 42.46 44.09 1zzb s ILE 92 CO 0.23 0.32 0.06 -0.22 -1.79 0.00 0.00 174.94 173.55 1zzb s LEU 93 N -0.66 1.56 0.20 0.37 1.98 -0.59 -4.99 118.68 116.56 1zzb s LEU 93 Ca 0.07 0.13 -0.30 0.00 -2.89 0.00 0.00 54.13 51.13 1zzb s LEU 93 Cb -0.07 0.18 -0.08 0.00 0.66 0.00 0.00 46.19 46.87 1zzb s LEU 93 CO 0.00 -0.05 1.03 -1.59 -1.89 0.00 0.00 176.35 173.85 1zzb s LYS 94 N 0.30 4.70 -0.50 1.98 -2.85 -1.26 -0.47 119.74 121.64 1zzb s LYS 94 Ca -0.02 1.62 -0.01 0.00 -1.00 0.00 0.00 55.97 56.55 1zzb s LYS 94 Cb -0.03 -3.28 0.13 0.00 -2.06 0.00 0.00 37.83 32.59 1zzb s LYS 94 CO -0.01 0.26 0.29 0.20 0.10 0.00 0.00 175.35 176.19 1zzb s GLY 95 N -0.55 2.25 -0.48 0.59 0.00 -0.39 -4.90 107.32 103.85 1zzb s GLY 95 Ca 0.45 -2.93 -0.15 0.00 0.00 0.00 0.00 44.72 42.10 1zzb s GLY 95 CO 0.34 1.05 0.40 0.14 0.00 0.00 0.00 173.10 175.03 1zzb s VAL 96 N 0.44 5.12 -0.12 1.40 1.01 -1.26 -0.55 120.40 126.43 1zzb s VAL 96 Ca 0.13 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 1zzb s VAL 96 Cb -0.22 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1zzb s VAL 96 CO -0.04 -0.63 0.83 -0.60 0.00 0.00 0.00 175.10 174.66 1zzb s ARG 97 N 1.61 4.37 0.00 2.72 6.06 -1.14 -4.00 118.95 128.56 1zzb s ARG 97 Ca 0.04 1.05 0.00 0.00 -2.50 0.00 0.00 55.73 54.32 1zzb s ARG 97 Cb -0.25 -3.53 0.00 0.00 0.06 0.00 0.00 34.95 31.23 1zzb s ARG 97 CO 0.05 -0.21 0.00 -0.25 -2.50 0.00 0.00 175.30 172.40 1zzb n ASP 98 N 4.73 0.00 -3.10 -2.12 9.92 -1.26 -3.07 116.55 121.65 1zzb n ASP 98 Ca 0.04 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1zzb n ASP 98 Cb 0.50 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1zzb n ASP 98 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1zzb n ASN 99 N 0.32 -6.86 -3.65 -2.24 4.13 -1.26 -5.10 115.26 100.61 1zzb n ASN 99 Ca 0.00 0.72 -0.04 0.00 1.68 0.00 0.00 54.58 56.94 1zzb n ASN 99 Cb 0.00 -1.86 -0.07 0.00 -1.54 0.00 0.00 39.78 36.31 1zzb n ASN 99 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1zzb s VAL 100 N -0.60 0.00 -0.12 2.41 -7.23 -1.18 -5.11 120.40 108.57 1zzb s VAL 100 Ca -0.01 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.87 1zzb s VAL 100 Cb 0.00 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 1zzb s VAL 100 CO 0.06 0.00 1.99 -1.81 -0.31 0.00 0.00 175.10 175.04 1zzb s ASP 101 N 0.05 6.03 -0.07 4.85 -0.00 -1.26 -2.90 116.67 123.36 1zzb s ASP 101 Ca 0.07 2.13 -0.11 0.00 -0.00 0.00 0.00 52.55 54.64 1zzb s ASP 101 Cb -0.05 -2.52 -0.04 0.00 -0.00 0.00 0.00 42.92 40.31 1zzb s ASP 101 CO -0.14 -1.47 -0.21 0.00 -0.00 0.00 0.00 175.17 173.35 1zzb n TYR 102 N 9.41 0.00 -4.52 4.23 9.36 0.29 -4.51 117.16 131.41 1zzb n TYR 102 Ca 0.24 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.21 1zzb n TYR 102 Cb 0.44 -0.32 -0.10 0.00 -0.63 0.00 0.00 39.34 38.73 1zzb n TYR 102 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1zzb s TYR 103 N -2.55 2.14 -0.13 2.98 4.12 -0.90 -1.35 117.35 121.66 1zzb s TYR 103 Ca -0.18 -0.88 -0.01 0.00 0.02 0.00 0.00 57.07 56.02 1zzb s TYR 103 Cb 0.03 -1.46 0.04 0.00 -1.52 0.00 0.00 41.96 39.05 1zzb s TYR 103 CO 0.26 0.15 -0.01 0.08 0.02 0.00 0.00 175.55 176.05 1zzb s VAL 104 N -3.08 0.68 -0.53 0.71 1.01 -0.82 -1.26 120.40 117.11 1zzb s VAL 104 Ca 0.34 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1zzb s VAL 104 Cb 0.09 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.61 1zzb s VAL 104 CO 0.16 0.12 0.72 -0.31 0.00 0.00 0.00 175.10 175.78 1zzb s TYR 105 N 1.83 2.97 -0.52 5.22 2.02 0.38 -1.92 117.35 127.32 1zzb s TYR 105 Ca 0.02 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.15 1zzb s TYR 105 Cb -0.14 -3.72 0.12 0.00 -0.40 0.00 0.00 41.96 37.82 1zzb s TYR 105 CO -0.07 -1.14 0.47 -0.80 -1.57 0.00 0.00 175.55 172.43 1zzb s ASN 106 N 2.80 6.14 0.15 2.29 0.01 -0.83 -1.54 114.94 123.97 1zzb s ASN 106 Ca 0.19 -1.71 -0.31 0.00 -0.71 0.00 0.00 52.86 50.32 1zzb s ASN 106 Cb -0.18 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.21 1zzb s ASN 106 CO 0.14 -0.81 1.34 0.00 -1.51 0.00 0.00 177.10 176.26 1zzb n LEU 108 N 3.32 0.00 -4.69 0.00 4.77 -0.75 -4.03 117.00 115.62 1zzb n LEU 108 Ca 0.09 -2.00 -0.41 0.00 -0.03 0.00 0.00 56.01 53.66 1zzb n LEU 108 Cb 0.43 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1zzb n LEU 108 CO 0.58 -0.72 0.85 0.55 -1.33 0.00 0.00 177.39 177.32 1zzb n VAL 109 N -2.16 2.53 -4.36 4.08 3.14 -1.26 -4.71 118.33 115.58 1zzb n VAL 109 Ca 0.14 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.83 1zzb n VAL 109 Cb 0.49 -1.52 -0.10 0.00 -1.06 0.00 0.00 33.84 31.65 1zzb n VAL 109 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1zzb s ARG 110 N -2.17 1.50 -0.21 1.45 0.52 -1.26 -4.44 118.95 114.34 1zzb s ARG 110 Ca 0.61 -1.83 -0.25 0.00 -0.52 0.00 0.00 55.73 53.74 1zzb s ARG 110 Cb -0.52 -0.39 0.07 0.00 0.52 0.00 0.00 34.95 34.63 1zzb s ARG 110 CO 0.58 -0.30 0.68 -0.08 0.02 0.00 0.00 175.30 176.21 1zzb s THR 111 N -3.62 0.00 -0.84 0.02 -1.32 -1.26 -5.01 115.64 103.61 1zzb s THR 111 Ca 0.37 -0.01 0.17 0.00 -1.21 0.00 0.00 61.69 61.01 1zzb s THR 111 Cb 0.08 -0.96 0.16 0.00 -1.51 0.00 0.00 72.50 70.26 1zzb s THR 111 CO 0.14 -0.00 1.54 0.29 -2.21 0.00 0.00 174.62 174.38 1zzb n LYS 112 N 2.31 0.06 0.09 7.08 5.02 -1.26 -1.91 118.16 129.55 1zzb n LYS 112 Ca -0.15 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1zzb n LYS 112 Cb 0.56 -1.61 0.38 0.00 -0.02 0.00 0.00 35.03 34.33 1zzb n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1zzb n ARG 113 N -1.72 0.25 -3.01 1.97 5.12 -1.25 -4.08 116.66 113.93 1zzb n ARG 113 Ca 0.03 0.18 -0.15 0.00 -1.93 0.00 0.00 57.85 55.98 1zzb n ARG 113 Cb 0.19 -1.77 0.02 0.00 -1.16 0.00 0.00 32.46 29.74 1zzb n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1zzb n ALA 114 N -1.77 0.89 -0.30 7.54 0.00 -0.80 -5.02 120.51 121.04 1zzb n ALA 114 Ca 0.05 -2.63 0.28 0.00 0.00 0.00 0.00 53.44 51.14 1zzb n ALA 114 Cb 0.43 -1.02 0.51 0.00 0.00 0.00 0.00 19.45 19.37 1zzb n ALA 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1zzb n PRO 115 N 0.36 -0.06 0.00 0.00 -0.02 -1.07 -0.47 135.00 133.74 1zzb n PRO 115 Ca 0.17 1.31 0.10 0.00 -2.02 0.00 0.00 63.50 63.07 1zzb n PRO 115 Cb 0.67 -2.32 0.49 0.00 -0.02 0.00 0.00 33.50 32.32 1zzb n PRO 115 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1zzb n SER 116 N -5.16 0.00 -4.60 2.55 3.41 -1.26 -4.66 113.62 103.90 1zzb n SER 116 Ca 0.34 0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.67 1zzb n SER 116 Cb 1.14 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 1zzb n SER 116 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1zzb s LEU 117 N -2.71 3.74 -0.48 1.04 2.96 0.38 -3.50 118.68 120.12 1zzb s LEU 117 Ca 0.16 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1zzb s LEU 117 Cb 0.14 -3.47 0.15 0.00 0.50 0.00 0.00 46.19 43.50 1zzb s LEU 117 CO 0.33 -1.18 0.30 -0.69 -1.32 0.00 0.00 176.35 173.79 1zzb s VAL 118 N 4.24 1.41 0.39 1.68 1.01 -0.53 -4.65 120.40 123.95 1zzb s VAL 118 Ca 0.45 -2.83 -0.17 0.00 0.00 0.00 0.00 61.98 59.43 1zzb s VAL 118 Cb -0.08 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 1zzb s VAL 118 CO 0.29 -0.98 0.86 -2.16 0.00 0.00 0.00 175.10 173.11 1zzb s PRO 119 N 0.02 4.08 -0.04 2.72 0.04 -1.26 -2.27 135.00 138.29 1zzb s PRO 119 Ca 0.22 0.88 -0.28 0.00 0.04 0.00 0.00 61.00 61.86 1zzb s PRO 119 Cb -0.16 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.16 1zzb s PRO 119 CO -0.06 0.02 0.62 -0.51 0.04 0.00 0.00 177.00 177.11 1zzb s LEU 120 N -3.23 -0.43 -0.36 -3.56 1.43 0.17 -1.80 118.68 110.89 1zzb s LEU 120 Ca 0.58 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1zzb s LEU 120 Cb -0.10 2.35 0.02 0.00 0.03 0.00 0.00 46.19 48.49 1zzb s LEU 120 CO 0.18 -0.60 0.21 -0.69 0.23 0.00 0.00 176.35 175.67 1zzb s VAL 121 N -1.31 4.70 -0.23 -1.59 1.01 -0.16 0.28 120.40 123.09 1zzb s VAL 121 Ca -0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1zzb s VAL 121 Cb -0.01 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1zzb s VAL 121 CO 0.08 -0.16 0.09 -0.69 0.00 0.00 0.00 175.10 174.42 1zzb s VAL 122 N 1.59 4.62 -0.27 2.92 1.01 0.30 -1.97 120.40 128.60 1zzb s VAL 122 Ca 0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1zzb s VAL 122 Cb -0.19 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1zzb s VAL 122 CO 0.07 0.36 0.67 -1.81 0.00 0.00 0.00 175.10 174.40 1zzb s ASP 123 N 1.24 6.59 -0.40 3.32 1.01 -0.81 -1.58 116.67 126.05 1zzb s ASP 123 Ca 0.05 0.66 -0.22 0.00 0.71 0.00 0.00 52.55 53.75 1zzb s ASP 123 Cb -0.14 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.45 1zzb s ASP 123 CO 0.04 -0.45 0.72 -0.69 0.21 0.00 0.00 175.17 175.00 1zzb s VAL 124 N 2.63 4.76 -0.09 -1.27 1.01 -0.14 -1.94 120.40 125.37 1zzb s VAL 124 Ca 0.28 0.53 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 1zzb s VAL 124 Cb -0.15 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 31.90 1zzb s VAL 124 CO 0.10 -0.52 0.50 -0.07 0.00 0.00 0.00 175.10 175.10 1zzb h LEU 125 N 9.76 -0.09-10.11 3.92 3.38 -1.49 -2.59 115.31 118.09 1zzb h LEU 125 Ca -0.25 -0.37 -0.47 0.00 0.09 0.00 0.00 57.88 56.88 1zzb h LEU 125 Cb 1.10 0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.89 1zzb h LEU 125 CO 0.90 0.56 0.37 0.42 0.09 0.00 0.00 178.44 180.78 1zzb s THR 126 N -2.38 4.02 -0.17 0.22 -4.23 -1.26 -4.57 115.64 107.27 1zzb s THR 126 Ca -0.09 1.16 0.15 0.00 -1.18 0.00 0.00 61.69 61.73 1zzb s THR 126 Cb -0.01 -3.51 0.44 0.00 1.34 0.00 0.00 72.50 70.76 1zzb s THR 126 CO 0.34 -0.37 1.19 -0.90 -0.54 0.00 0.00 174.62 174.34 1zzb n ASP 127 N -1.18 2.05 -3.83 3.99 5.75 -1.26 -0.69 116.55 121.38 1zzb n ASP 127 Ca 0.08 -3.24 -0.30 0.00 -0.01 0.00 0.00 54.79 51.32 1zzb n ASP 127 Cb 0.53 -0.44 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 1zzb n ASP 127 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1zzb s ASN 128 N -3.03 4.12 0.40 -1.12 3.84 -1.26 -1.87 114.94 116.01 1zzb s ASN 128 Ca 0.38 -2.34 0.19 0.00 0.21 0.00 0.00 52.86 51.30 1zzb s ASN 128 Cb 0.38 -1.24 1.11 0.00 -0.55 0.00 0.00 41.25 40.95 1zzb s ASN 128 CO -0.07 -0.32 1.77 -0.65 -2.79 0.00 0.00 177.10 175.03 1zzb h PRO 129 N 7.23 0.37 -0.25 0.43 0.11 -1.92 -0.97 132.00 136.99 1zzb h PRO 129 Ca -0.06 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.10 1zzb h PRO 129 Cb 0.96 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1zzb h PRO 129 CO 0.53 0.25 0.29 0.22 -0.21 0.00 0.00 178.00 179.07 1zzb h ASP 130 N 0.38 0.00 -1.49 -2.05 1.82 -1.98 -1.86 116.42 111.24 1zzb h ASP 130 Ca 0.60 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 56.64 1zzb h ASP 130 Cb 1.54 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 41.14 1zzb h ASP 130 CO -0.30 0.00 -0.60 0.47 -1.61 0.00 0.00 179.24 177.20 1zzb n ASP 131 N -3.75 4.95 -4.75 2.28 10.43 -0.37 -5.04 116.55 120.31 1zzb n ASP 131 Ca 0.03 -3.73 -0.40 0.00 2.57 0.00 0.00 54.79 53.26 1zzb n ASP 131 Cb 0.43 -0.50 -0.05 0.00 1.84 0.00 0.00 41.12 42.83 1zzb n ASP 131 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1zzb s ALA 132 N -3.59 3.37 -0.26 2.24 0.00 -0.70 -4.98 121.76 117.84 1zzb s ALA 132 Ca 0.49 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 1zzb s ALA 132 Cb 0.40 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 1zzb s ALA 132 CO -0.19 0.05 0.04 0.15 0.00 0.00 0.00 175.76 175.81 1zzb s LYS 133 N -1.23 3.26 0.90 0.00 1.02 -1.26 -5.07 119.74 117.36 1zzb s LYS 133 Ca 0.43 -0.73 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 1zzb s LYS 133 Cb -0.28 -3.25 0.13 0.00 -0.52 0.00 0.00 37.83 33.91 1zzb s LYS 133 CO 0.36 -0.33 1.17 -0.06 -0.92 0.00 0.00 175.35 175.56 1zzb s PHE 134 N 1.51 2.47 0.15 3.18 0.40 -1.26 -4.59 117.98 119.84 1zzb s PHE 134 Ca 0.04 0.76 0.02 0.00 -0.60 0.00 0.00 56.93 57.15 1zzb s PHE 134 Cb -0.16 -3.49 0.02 0.00 0.51 0.00 0.00 43.02 39.90 1zzb s PHE 134 CO 0.01 -2.28 0.17 0.09 0.70 0.00 0.00 175.22 173.90 1zzb n ASN 135 N -3.68 0.96 -0.00 1.36 4.13 -0.92 -4.95 115.26 112.16 1zzb n ASN 135 Ca 0.08 -1.46 0.05 0.00 1.68 0.00 0.00 54.58 54.93 1zzb n ASN 135 Cb 0.60 -0.07 -0.06 0.00 -1.54 0.00 0.00 39.78 38.71 1zzb n ASN 135 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1zzb n SER 136 N -2.45 1.27 0.00 6.41 7.64 -1.26 -4.58 113.62 120.66 1zzb n SER 136 Ca 0.02 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1zzb n SER 136 Cb 0.17 1.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 1zzb n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzb n GLY 137 N 1.48 2.30 3.52 0.23 0.00 -1.26 -4.23 105.19 107.23 1zzb n GLY 137 Ca 0.01 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 1zzb n GLY 137 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1zzb s HIS 138 N -1.53 2.37 0.28 1.61 -3.43 -1.26 -4.75 115.29 108.58 1zzb s HIS 138 Ca 0.00 -0.43 -0.29 0.00 -0.80 0.00 0.00 55.06 53.54 1zzb s HIS 138 Cb 0.00 -1.23 -0.10 0.00 -1.43 0.00 0.00 32.58 29.82 1zzb s HIS 138 CO 0.00 0.64 1.14 0.00 -2.00 0.00 0.00 174.74 174.52 1zzb s ALA 139 N -2.57 3.42 0.00 -1.38 0.00 -1.26 -0.45 121.76 119.52 1zzb s ALA 139 Ca 0.32 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1zzb s ALA 139 Cb -0.01 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1zzb s ALA 139 CO 0.16 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1zzb n GLY 140 N 1.21 2.38 3.90 0.00 0.00 -1.26 -4.89 105.19 106.54 1zzb n GLY 140 Ca -0.01 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1zzb n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1zzb s ASN 141 N 0.00 5.87 -0.07 1.61 0.01 -1.26 -3.57 114.94 117.53 1zzb s ASN 141 Ca 0.00 0.95 -0.03 0.00 -0.71 0.00 0.00 52.86 53.07 1zzb s ASN 141 Cb 0.00 -2.02 0.04 0.00 0.41 0.00 0.00 41.25 39.68 1zzb s ASN 141 CO 0.00 -0.93 0.17 -0.70 -1.51 0.00 0.00 177.10 174.13 1zzb s GLU 142 N -5.00 0.11 -0.15 -0.60 2.12 -0.51 -1.36 118.70 113.30 1zzb s GLU 142 Ca 0.53 0.42 -0.06 0.00 0.36 0.00 0.00 54.97 56.21 1zzb s GLU 142 Cb -0.11 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 1zzb s GLU 142 CO 0.47 -0.18 0.05 0.12 -0.54 0.00 0.00 175.26 175.18 1zzb s PHE 143 N 1.28 3.24 0.17 5.30 5.36 -0.29 -1.00 117.98 132.03 1zzb s PHE 143 Ca -0.08 0.09 0.08 0.00 -0.96 0.00 0.00 56.93 56.06 1zzb s PHE 143 Cb -0.11 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 1zzb s PHE 143 CO -0.06 0.25 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.25 1zzb s LEU 144 N -0.00 2.44 -0.09 6.12 1.02 0.06 -0.44 118.68 127.79 1zzb s LEU 144 Ca 0.05 -0.86 -0.04 0.00 0.02 0.00 0.00 54.13 53.30 1zzb s LEU 144 Cb -0.12 -0.83 0.05 0.00 0.02 0.00 0.00 46.19 45.31 1zzb s LEU 144 CO 0.01 -0.04 0.21 0.12 0.02 0.00 0.00 176.35 176.67 1zzb s PHE 145 N -2.06 -0.27 -0.57 0.29 5.36 -0.49 -0.42 117.98 119.82 1zzb s PHE 145 Ca 0.16 0.70 -0.28 0.00 -0.96 0.00 0.00 56.93 56.54 1zzb s PHE 145 Cb -0.06 -0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.62 1zzb s PHE 145 CO 0.07 -0.23 1.24 0.08 -1.46 0.00 0.00 175.22 174.91 1zzb s VAL 146 N 1.46 3.98 0.07 3.12 1.01 -0.32 0.72 120.40 130.44 1zzb s VAL 146 Ca -0.07 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 1zzb s VAL 146 Cb -0.11 -4.66 -0.20 0.00 0.00 0.00 0.00 36.38 31.41 1zzb s VAL 146 CO -0.07 -1.29 1.22 -0.07 0.00 0.00 0.00 175.10 174.88 1zzb h LEU 147 N 12.12 0.81 -7.66 3.92 3.38 -0.95 -1.37 115.31 125.57 1zzb h LEU 147 Ca -0.25 -0.69 -0.08 0.00 0.09 0.00 0.00 57.88 56.95 1zzb h LEU 147 Cb 1.06 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.42 1zzb h LEU 147 CO 1.18 1.38 -0.28 -1.61 0.09 0.00 0.00 178.44 179.20 1zzb s GLU 148 N -3.50 0.88 2.76 1.13 2.02 -0.62 -4.83 118.70 116.54 1zzb s GLU 148 Ca -0.11 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1zzb s GLU 148 Cb 0.07 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.66 1zzb s GLU 148 CO 0.88 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.28 1zzb n GLY 149 N 0.07 0.31 3.05 -1.39 0.00 -1.26 -2.19 105.19 103.79 1zzb n GLY 149 Ca -0.16 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1zzb n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1zzb s GLU 150 N 0.00 1.63 0.07 1.61 2.12 -1.26 -2.83 118.70 120.03 1zzb s GLU 150 Ca 0.00 -0.46 0.03 0.00 0.36 0.00 0.00 54.97 54.90 1zzb s GLU 150 Cb 0.00 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 1zzb s GLU 150 CO 0.00 0.10 0.07 0.42 -0.54 0.00 0.00 175.26 175.32 1zzb s ILE 151 N 0.41 4.51 -0.26 -3.70 -1.09 0.74 -1.26 121.20 120.54 1zzb s ILE 151 Ca -0.10 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.62 1zzb s ILE 151 Cb -0.13 -3.15 0.06 0.00 -1.58 0.00 0.00 42.46 37.65 1zzb s ILE 151 CO 0.03 0.17 -0.10 -2.28 -1.23 0.00 0.00 174.94 171.52 1zzb s HIS 152 N -1.34 3.25 -0.02 3.97 5.65 -0.18 0.11 115.29 126.72 1zzb s HIS 152 Ca 0.28 -2.26 -0.01 0.00 0.25 0.00 0.00 55.06 53.32 1zzb s HIS 152 Cb -0.12 -1.95 -0.04 0.00 -1.18 0.00 0.00 32.58 29.30 1zzb s HIS 152 CO 0.20 -0.87 0.09 1.41 -0.65 0.00 0.00 174.74 174.92 1zzb s MET 153 N 1.12 3.11 0.01 2.88 1.75 -0.43 -2.27 119.30 125.47 1zzb s MET 153 Ca -0.08 -0.45 0.03 0.00 -1.25 0.00 0.00 55.69 53.94 1zzb s MET 153 Cb -0.20 -2.89 -0.01 0.00 2.84 0.00 0.00 34.83 34.57 1zzb s MET 153 CO -0.05 0.66 -0.09 0.15 -0.65 0.00 0.00 175.02 175.05 1zzb s LYS 154 N -1.64 0.63 0.22 4.11 1.02 -0.41 -1.72 119.74 121.94 1zzb s LYS 154 Ca 0.22 -0.46 -0.16 0.00 0.02 0.00 0.00 55.97 55.59 1zzb s LYS 154 Cb -0.12 -0.56 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 1zzb s LYS 154 CO 0.13 0.14 0.52 1.67 -0.92 0.00 0.00 175.35 176.89 1zzb s TRP 155 N -0.57 0.04 0.00 3.18 -2.14 -0.32 -1.37 118.94 117.75 1zzb s TRP 155 Ca -0.00 -0.41 0.00 0.00 2.66 0.00 0.00 56.10 58.35 1zzb s TRP 155 Cb -0.05 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.67 1zzb s TRP 155 CO 0.00 -0.97 0.00 0.41 -2.66 0.00 0.00 176.95 173.73 1zzb n GLY 156 N -0.36 0.56 3.60 3.67 0.00 -0.66 -1.17 105.19 110.83 1zzb n GLY 156 Ca -0.07 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1zzb n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zzb s ASP 157 N -4.00 6.65 0.66 1.61 3.68 -1.26 -4.54 116.67 119.47 1zzb s ASP 157 Ca 0.00 0.50 0.39 0.00 2.13 0.00 0.00 52.55 55.57 1zzb s ASP 157 Cb 0.00 -2.53 2.12 0.00 -1.45 0.00 0.00 42.92 41.06 1zzb s ASP 157 CO 0.00 -1.17 2.21 0.07 0.13 0.00 0.00 175.17 176.41 1zzb h LYS 158 N 9.05 0.00 0.00 4.34 2.10 -1.95 0.41 116.57 130.52 1zzb h LYS 158 Ca -0.23 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.35 1zzb h LYS 158 Cb 1.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 1zzb h LYS 158 CO 1.10 0.00 -0.34 0.93 -2.00 0.00 0.00 179.45 179.14 1zzb h GLU 159 N 0.00 0.00 -0.08 0.07 4.39 -1.98 -3.39 114.58 113.59 1zzb h GLU 159 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 1zzb h GLU 159 Cb 0.25 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.76 1zzb h GLU 159 CO -0.00 0.34 -0.43 -1.71 -1.16 0.00 0.00 179.01 176.05 1zzb n ASN 160 N -3.32 -2.75 -4.88 1.42 5.15 0.53 -5.17 115.26 106.25 1zzb n ASN 160 Ca 0.01 -3.07 -0.30 0.00 -0.60 0.00 0.00 54.58 50.62 1zzb n ASN 160 Cb 0.57 1.69 0.02 0.00 -0.53 0.00 0.00 39.78 41.53 1zzb n ASN 160 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1zzb s PRO 161 N 0.65 3.35 0.32 1.20 0.04 0.11 -4.47 135.00 136.20 1zzb s PRO 161 Ca 0.31 0.54 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 1zzb s PRO 161 Cb 0.21 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1zzb s PRO 161 CO -0.21 -0.65 0.80 0.15 0.04 0.00 0.00 177.00 177.13 1zzb s LYS 162 N -5.15 4.18 0.13 4.56 -0.14 -0.32 -4.86 119.74 118.14 1zzb s LYS 162 Ca 0.55 0.89 -0.00 0.00 -1.36 0.00 0.00 55.97 56.04 1zzb s LYS 162 Cb -0.11 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.47 1zzb s LYS 162 CO 0.51 0.19 0.04 -1.21 -0.76 0.00 0.00 175.35 174.13 1zzb s GLU 163 N -2.66 0.95 -0.28 1.68 2.02 -1.26 -1.18 118.70 117.96 1zzb s GLU 163 Ca 0.53 -1.45 -0.18 0.00 0.02 0.00 0.00 54.97 53.89 1zzb s GLU 163 Cb -0.13 0.14 0.11 0.00 0.10 0.00 0.00 34.13 34.36 1zzb s GLU 163 CO 0.18 -0.23 0.84 0.00 0.02 0.00 0.00 175.26 176.07 1zzb s ALA 164 N -3.97 -2.03 -0.23 5.21 0.00 -0.70 -5.00 121.76 115.05 1zzb s ALA 164 Ca 0.23 2.26 -0.21 0.00 0.00 0.00 0.00 51.96 54.24 1zzb s ALA 164 Cb 0.07 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1zzb s ALA 164 CO 0.02 -0.35 0.63 -0.51 0.00 0.00 0.00 175.76 175.54 1zzb s LEU 165 N 1.28 4.10 -0.20 0.00 2.01 -1.26 -1.32 118.68 123.29 1zzb s LEU 165 Ca -0.07 0.77 0.01 0.00 0.01 0.00 0.00 54.13 54.84 1zzb s LEU 165 Cb -0.04 -2.87 0.05 0.00 0.01 0.00 0.00 46.19 43.33 1zzb s LEU 165 CO -0.15 -0.32 -0.09 -0.76 1.01 0.00 0.00 176.35 176.04 1zzb s LEU 166 N 2.20 2.22 1.00 1.79 1.43 0.12 -4.99 118.68 122.45 1zzb s LEU 166 Ca 0.27 -0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 1zzb s LEU 166 Cb -0.16 -1.17 0.21 0.00 0.03 0.00 0.00 46.19 45.10 1zzb s LEU 166 CO 0.09 -0.17 1.28 -2.16 0.23 0.00 0.00 176.35 175.62 1zzb s PRO 167 N 1.43 0.37 0.21 1.29 0.04 -1.26 -0.18 135.00 136.90 1zzb s PRO 167 Ca -0.02 -0.32 -0.32 0.00 0.04 0.00 0.00 61.00 60.38 1zzb s PRO 167 Cb -0.16 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 1zzb s PRO 167 CO -0.08 -2.61 1.68 2.41 0.04 0.00 0.00 177.00 178.44 1zzb n THR 168 N -3.93 0.13 0.00 1.26 -1.04 -1.13 -2.10 114.28 107.47 1zzb n THR 168 Ca 0.14 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1zzb n THR 168 Cb 0.59 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1zzb n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zzb n GLY 169 N 3.65 3.08 3.74 3.41 0.00 -0.52 -5.01 105.19 113.54 1zzb n GLY 169 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1zzb n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzb s ALA 170 N -2.77 2.53 0.08 4.61 0.00 -0.89 -4.72 121.76 120.59 1zzb s ALA 170 Ca 0.00 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.16 1zzb s ALA 170 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1zzb s ALA 170 CO 0.00 -1.35 -0.16 -1.54 0.00 0.00 0.00 175.76 172.71 1zzb s SER 171 N -1.42 1.87 0.09 0.00 1.04 -1.26 -1.17 113.70 112.85 1zzb s SER 171 Ca 0.78 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 1zzb s SER 171 Cb -0.35 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1zzb s SER 171 CO 0.38 -0.05 0.01 -0.04 0.98 0.00 0.00 173.24 174.52 1zzb s MET 172 N -1.80 0.75 -0.05 4.02 1.00 0.43 -4.96 119.30 118.69 1zzb s MET 172 Ca 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 55.69 54.38 1zzb s MET 172 Cb -0.10 0.22 0.02 0.00 0.00 0.00 0.00 34.83 34.98 1zzb s MET 172 CO 0.03 -0.18 -0.06 0.12 0.00 0.00 0.00 175.02 174.93 1zzb s PHE 173 N -3.98 0.87 -0.15 -0.03 5.36 -1.26 -0.76 117.98 118.03 1zzb s PHE 173 Ca 0.15 -0.26 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 1zzb s PHE 173 Cb 0.08 -0.73 0.02 0.00 -0.34 0.00 0.00 43.02 42.04 1zzb s PHE 173 CO -0.05 -0.21 -0.19 0.08 -1.46 0.00 0.00 175.22 173.40 1zzb s VAL 174 N 0.88 1.88 0.60 3.12 1.01 -0.17 -4.99 120.40 122.73 1zzb s VAL 174 Ca -0.12 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1zzb s VAL 174 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1zzb s VAL 174 CO 0.01 0.51 1.07 -0.70 0.00 0.00 0.00 175.10 175.99 1zzb s GLU 175 N 1.17 3.23 0.40 2.72 2.12 -1.26 -1.43 118.70 125.64 1zzb s GLU 175 Ca 0.00 1.27 -0.26 0.00 0.36 0.00 0.00 54.97 56.35 1zzb s GLU 175 Cb -0.14 -2.02 -0.11 0.00 0.26 0.00 0.00 34.13 32.13 1zzb s GLU 175 CO -0.08 -0.89 1.18 -0.85 -0.54 0.00 0.00 175.26 174.08 1zzb n GLU 176 N -2.03 1.76 -0.65 4.30 0.28 -1.23 -2.19 120.64 120.87 1zzb n GLU 176 Ca 0.09 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.72 1zzb n GLU 176 Cb 0.53 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 31.15 1zzb n GLU 176 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1zzb n HIS 177 N -0.17 0.00 -2.53 -1.84 8.25 0.40 -4.93 115.22 114.40 1zzb n HIS 177 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.10 1zzb n HIS 177 Cb 0.38 -0.61 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 1zzb n HIS 177 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1zzb s VAL 178 N -2.62 4.39 0.32 1.59 1.01 -0.93 -4.34 120.40 119.82 1zzb s VAL 178 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 1zzb s VAL 178 Cb 0.00 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 1zzb s VAL 178 CO 0.00 -0.31 1.37 -2.16 0.00 0.00 0.00 175.10 174.01 1zzb s PRO 179 N 3.63 4.29 0.06 2.72 0.04 -1.26 -4.39 135.00 140.08 1zzb s PRO 179 Ca 0.50 2.30 -0.12 0.00 0.04 0.00 0.00 61.00 63.73 1zzb s PRO 179 Cb -0.17 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1zzb s PRO 179 CO 0.15 -0.31 0.27 -3.38 0.04 0.00 0.00 177.00 173.77 1zzb s HIS 180 N -0.83 -0.04 -0.03 0.56 -3.43 -1.26 -1.65 115.29 108.61 1zzb s HIS 180 Ca 0.52 -0.18 -0.12 0.00 -0.80 0.00 0.00 55.06 54.49 1zzb s HIS 180 Cb -0.42 0.05 0.02 0.00 -1.43 0.00 0.00 32.58 30.81 1zzb s HIS 180 CO 0.52 -0.51 0.26 0.00 -2.00 0.00 0.00 174.74 173.01 1zzb s ALA 181 N -2.85 -0.64 0.05 -1.38 0.00 -0.47 -2.16 121.76 114.31 1zzb s ALA 181 Ca -0.03 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1zzb s ALA 181 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1zzb s ALA 181 CO -0.05 -0.22 -0.09 -0.06 0.00 0.00 0.00 175.76 175.34 1zzb s PHE 182 N -1.01 0.76 0.21 0.00 0.08 -1.26 -1.29 117.98 115.47 1zzb s PHE 182 Ca -0.11 -0.50 -0.14 0.00 0.12 0.00 0.00 56.93 56.30 1zzb s PHE 182 Cb -0.05 -0.45 0.01 0.00 -0.57 0.00 0.00 43.02 41.96 1zzb s PHE 182 CO 0.03 -0.06 0.47 0.95 -0.10 0.00 0.00 175.22 176.50 1zzb s THR 183 N -1.40 0.03 0.72 0.64 -4.23 -0.96 -4.78 115.64 105.65 1zzb s THR 183 Ca -0.08 -1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 1zzb s THR 183 Cb -0.10 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.92 1zzb s THR 183 CO 0.01 -0.12 1.09 0.00 -0.54 0.00 0.00 174.62 175.06 1zzb s ALA 184 N -3.94 2.77 0.42 3.99 0.00 0.13 -1.01 121.76 124.12 1zzb s ALA 184 Ca 0.15 -0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 1zzb s ALA 184 Cb -0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 1zzb s ALA 184 CO 0.02 -1.24 1.46 0.00 0.00 0.00 0.00 175.76 176.01 1zzb s ALA 185 N -3.30 3.38 -0.49 0.00 0.00 -0.39 -4.28 121.76 116.67 1zzb s ALA 185 Ca 0.59 1.53 -0.46 0.00 0.00 0.00 0.00 51.96 53.62 1zzb s ALA 185 Cb -0.12 -3.61 -0.19 0.00 0.00 0.00 0.00 23.12 19.20 1zzb s ALA 185 CO 0.52 -1.17 1.72 1.17 0.00 0.00 0.00 175.76 178.00 1zzb n LYS 186 N 0.05 0.00 0.00 0.00 0.00 -1.23 -0.59 118.16 116.39 1zzb n LYS 186 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1zzb n LYS 186 Cb 0.41 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1zzb n LYS 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zzb n GLY 187 N 4.84 2.55 0.00 3.14 0.00 -0.78 -4.89 105.19 110.04 1zzb n GLY 187 Ca 0.37 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.48 1zzb n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1zzb n THR 188 N -2.00 0.00 0.00 2.61 -2.24 0.25 -4.95 114.28 107.94 1zzb n THR 188 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zzb n THR 188 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1zzb n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zzb n GLY 189 N 0.67 2.21 3.36 3.38 0.00 -1.26 -4.84 105.19 108.71 1zzb n GLY 189 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1zzb n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzb s SER 190 N -1.48 -0.08 0.25 1.61 1.04 -1.26 -4.04 113.70 109.75 1zzb s SER 190 Ca 0.00 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 1zzb s SER 190 Cb 0.00 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1zzb s SER 190 CO 0.00 -0.90 0.31 0.00 0.98 0.00 0.00 173.24 173.63 1zzb s ALA 191 N -3.89 0.74 -0.10 5.32 0.00 -0.98 -4.64 121.76 118.22 1zzb s ALA 191 Ca 0.10 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 1zzb s ALA 191 Cb 0.02 1.26 0.03 0.00 0.00 0.00 0.00 23.12 24.43 1zzb s ALA 191 CO -0.05 -0.71 0.25 0.21 0.00 0.00 0.00 175.76 175.46 1zzb s LYS 192 N -3.85 0.27 0.07 0.00 2.20 -0.93 -0.97 119.74 116.53 1zzb s LYS 192 Ca 0.33 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1zzb s LYS 192 Cb 0.03 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1zzb s LYS 192 CO 0.14 -0.07 -0.05 -0.48 -0.36 0.00 0.00 175.35 174.54 1zzb s LEU 193 N 0.44 2.46 -0.18 5.43 0.05 -0.61 -0.27 118.68 126.00 1zzb s LEU 193 Ca -0.02 -0.93 -0.14 0.00 0.05 0.00 0.00 54.13 53.09 1zzb s LEU 193 Cb -0.04 0.06 -0.05 0.00 -2.05 0.00 0.00 46.19 44.12 1zzb s LEU 193 CO -0.02 -0.50 0.29 -0.63 -0.55 0.00 0.00 176.35 174.94 1zzb s ILE 194 N -3.44 5.30 -0.13 1.48 1.01 0.22 -0.54 121.20 125.10 1zzb s ILE 194 Ca 0.06 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.25 1zzb s ILE 194 Cb 0.04 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1zzb s ILE 194 CO -0.07 0.36 -0.18 0.00 0.00 0.00 0.00 174.94 175.05 1zzb s ALA 195 N 0.69 2.01 -0.30 9.38 0.00 0.14 -1.39 121.76 132.29 1zzb s ALA 195 Ca 0.16 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1zzb s ALA 195 Cb -0.13 -0.96 0.08 0.00 0.00 0.00 0.00 23.12 22.11 1zzb s ALA 195 CO 0.04 -0.12 -0.02 0.08 0.00 0.00 0.00 175.76 175.74 1zzb s VAL 196 N 1.00 2.10 0.10 0.00 1.01 0.41 0.42 120.40 125.46 1zzb s VAL 196 Ca -0.04 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 59.78 1zzb s VAL 196 Cb -0.15 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.76 1zzb s VAL 196 CO -0.04 -0.33 0.72 0.20 0.00 0.00 0.00 175.10 175.64 1zzb s ASN 197 N 1.06 7.24 0.00 3.32 0.01 -0.96 -1.14 114.94 124.47 1zzb s ASN 197 Ca 0.02 1.48 0.00 0.00 -0.71 0.00 0.00 52.86 53.64 1zzb s ASN 197 Cb -0.19 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1zzb s ASN 197 CO -0.07 0.16 0.00 2.22 -1.51 0.00 0.00 177.10 177.90