#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 1.42 0.00 6.98 0.00 -1.99 -1.40 119.26 124.28 1zzb h ALA 7 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1zzb h ALA 7 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zzb h ALA 7 CO 0.00 0.41 -0.71 0.66 0.00 0.00 0.00 179.25 179.61 1zzb h SER 8 N 0.43 0.00 0.40 0.00 4.64 -1.95 -1.96 113.55 115.12 1zzb h SER 8 Ca 0.09 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.10 1zzb h SER 8 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1zzb h SER 8 CO 0.01 0.71 -1.48 0.74 -0.87 0.00 0.00 176.83 175.94 1zzb h THR 9 N 0.00 1.25 -0.30 2.95 2.02 -1.74 -2.35 112.91 114.73 1zzb h THR 9 Ca -0.01 -2.79 -0.08 0.00 0.77 0.00 0.00 66.41 64.30 1zzb h THR 9 Cb 1.36 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 70.66 1zzb h THR 9 CO 0.09 0.84 -0.14 1.23 0.37 0.00 0.00 175.52 177.92 1zzb h GLY 10 N 1.06 0.68 1.24 2.16 0.00 -1.34 -2.53 103.07 104.34 1zzb h GLY 10 Ca -0.24 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1zzb h GLY 10 CO 0.21 0.55 0.43 -2.75 0.00 0.00 0.00 176.54 174.97 1zzb h PHE 11 N 0.38 0.97 -0.45 5.60 3.04 -1.44 -0.72 116.94 124.31 1zzb h PHE 11 Ca 0.07 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1zzb h PHE 11 Cb 0.65 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 1zzb h PHE 11 CO 0.06 0.66 0.29 0.00 -2.02 0.00 0.00 178.31 177.29 1zzb h ALA 12 N 1.46 0.58 0.03 2.41 0.00 -1.14 0.14 119.26 122.73 1zzb h ALA 12 Ca 0.26 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 1zzb h ALA 12 Cb -0.02 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zzb h ALA 12 CO -0.05 -0.01 -1.02 1.05 0.00 0.00 0.00 179.25 179.23 1zzb h GLU 13 N 0.58 0.64 -0.39 0.00 4.11 -1.10 -2.87 114.58 115.55 1zzb h GLU 13 Ca 0.17 -0.73 -0.10 0.00 0.07 0.00 0.00 59.36 58.78 1zzb h GLU 13 Cb -0.03 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1zzb h GLU 13 CO -0.06 1.31 -0.17 -0.07 0.07 0.00 0.00 179.01 180.09 1zzb h LEU 14 N 0.28 0.73 -0.39 3.06 3.38 -1.07 -0.29 115.31 121.01 1zzb h LEU 14 Ca -0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1zzb h LEU 14 Cb 1.69 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1zzb h LEU 14 CO 0.20 0.90 0.17 0.25 0.09 0.00 0.00 178.44 180.05 1zzb h LEU 15 N 0.65 0.53 -0.57 1.67 5.85 -0.80 -1.15 115.31 121.49 1zzb h LEU 15 Ca 0.10 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1zzb h LEU 15 Cb 0.65 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1zzb h LEU 15 CO 0.05 0.54 0.15 0.50 -0.34 0.00 0.00 178.44 179.34 1zzb h LYS 16 N 0.49 0.91 -0.24 1.25 3.64 -1.25 -0.82 116.57 120.55 1zzb h LYS 16 Ca 0.13 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1zzb h LYS 16 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1zzb h LYS 16 CO -0.01 0.84 0.16 -0.44 -2.27 0.00 0.00 179.45 177.73 1zzb h ASP 17 N 0.82 0.28 -0.45 4.20 3.32 -0.84 -1.83 116.42 121.91 1zzb h ASP 17 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1zzb h ASP 17 Cb 0.33 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1zzb h ASP 17 CO 0.00 0.21 0.23 -0.09 -1.72 0.00 0.00 179.24 177.87 1zzb h ARG 18 N 0.33 0.65 -0.08 3.56 9.65 -1.03 0.22 114.38 127.66 1zzb h ARG 18 Ca 0.09 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1zzb h ARG 18 Cb -0.03 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1zzb h ARG 18 CO -0.02 0.54 -0.00 -0.09 2.80 0.00 0.00 179.97 183.19 1zzb h ARG 19 N 0.59 0.02 -0.65 0.20 2.43 -1.03 -1.40 114.38 114.54 1zzb h ARG 19 Ca 0.16 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1zzb h ARG 19 Cb 0.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1zzb h ARG 19 CO -0.02 0.02 0.29 0.93 -1.51 0.00 0.00 179.97 179.67 1zzb h GLU 20 N 0.02 0.94 -0.31 0.20 5.08 -1.15 -1.26 114.58 118.10 1zzb h GLU 20 Ca 0.04 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1zzb h GLU 20 Cb 0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1zzb h GLU 20 CO -0.07 0.74 0.11 0.37 -1.00 0.00 0.00 179.01 179.16 1zzb h GLN 21 N 0.93 0.44 -0.58 2.33 4.15 0.04 -1.78 115.11 120.63 1zzb h GLN 21 Ca 0.22 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1zzb h GLN 21 Cb 0.13 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1zzb h GLN 21 CO -0.03 0.38 0.00 1.33 -1.93 0.00 0.00 178.83 178.59 1zzb n VAL 22 N -4.39 2.61 -3.81 2.39 0.24 -0.58 -4.96 118.33 109.82 1zzb n VAL 22 Ca 0.01 -1.39 -0.25 0.00 -2.04 0.00 0.00 64.34 60.68 1zzb n VAL 22 Cb 0.15 -0.21 0.02 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.68 -4.70 -4.91 7.34 4.76 -0.67 -5.00 118.16 115.66 1zzb n LYS 23 Ca 0.27 0.57 -0.33 0.00 -2.87 0.00 0.00 58.31 55.95 1zzb n LYS 23 Cb 1.14 -5.13 -0.13 0.00 -1.84 0.00 0.00 35.03 29.07 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 -6.27 2.55 0.43 1.97 -1.94 -0.53 -5.03 119.30 110.49 1zzb s MET 24 Ca 0.18 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 1zzb s MET 24 Cb -0.09 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.38 1zzb s MET 24 CO 0.83 0.59 0.60 0.16 -0.01 0.00 0.00 175.02 177.19 1zzb s ASP 25 N -0.64 5.66 0.26 3.03 3.84 -1.26 -4.32 116.67 123.23 1zzb s ASP 25 Ca 0.09 -0.23 -0.03 0.00 -0.00 0.00 0.00 52.55 52.39 1zzb s ASP 25 Cb -0.11 -0.90 0.54 0.00 -1.38 0.00 0.00 42.92 41.07 1zzb s ASP 25 CO 0.01 -0.77 1.68 0.45 -0.00 0.00 0.00 175.17 176.54 1zzb h HIS 26 N 0.55 0.34 -0.05 2.11 3.86 -1.99 -1.91 115.15 118.06 1zzb h HIS 26 Ca -0.42 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 58.85 1zzb h HIS 26 Cb 1.28 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 1zzb h HIS 26 CO 0.40 -0.09 -0.06 0.00 0.86 0.00 0.00 177.93 179.04 1zzb h ALA 27 N 1.65 -0.02 -0.18 2.45 0.00 -1.94 0.01 119.26 121.23 1zzb h ALA 27 Ca 0.46 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1zzb h ALA 27 Cb 0.81 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1zzb h ALA 27 CO -0.53 -0.54 -0.06 0.00 0.00 0.00 0.00 179.25 178.12 1zzb h ALA 28 N 0.95 0.10 -0.40 0.00 0.00 -1.75 -1.58 119.26 116.59 1zzb h ALA 28 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1zzb h ALA 28 Cb 0.15 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1zzb h ALA 28 CO -0.10 -0.49 0.21 1.25 0.00 0.00 0.00 179.25 180.12 1zzb h LEU 29 N -0.02 0.51 -0.55 0.00 5.85 -1.22 -2.85 115.31 117.03 1zzb h LEU 29 Ca 0.09 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1zzb h LEU 29 Cb 0.16 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1zzb h LEU 29 CO -0.20 0.47 0.17 0.00 -0.34 0.00 0.00 178.44 178.54 1zzb h ALA 30 N 1.06 0.67 -0.14 1.25 0.00 -0.64 -0.92 119.26 120.55 1zzb h ALA 30 Ca 0.14 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1zzb h ALA 30 Cb 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1zzb h ALA 30 CO -0.02 -0.24 0.33 0.77 0.00 0.00 0.00 179.25 180.09 1zzb h SER 31 N 0.33 0.00 0.26 0.00 0.02 -1.05 -0.80 113.55 112.32 1zzb h SER 31 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1zzb h SER 31 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1zzb h SER 31 CO -0.30 0.00 -0.79 0.18 -1.14 0.00 0.00 176.83 174.78 1zzb n LEU 32 N -3.25 0.74 -0.02 5.07 4.77 -0.36 -4.42 117.00 119.53 1zzb n LEU 32 Ca 0.01 -0.24 0.02 0.00 -0.03 0.00 0.00 56.01 55.77 1zzb n LEU 32 Cb 0.43 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1zzb n LEU 32 CO 0.20 0.18 0.49 0.18 -1.33 0.00 0.00 177.39 177.10 1zzb n LEU 33 N -1.54 1.89 -3.41 2.23 4.77 -0.32 -5.00 117.00 115.61 1zzb n LEU 33 Ca 0.04 -2.03 -0.21 0.00 -0.03 0.00 0.00 56.01 53.78 1zzb n LEU 33 Cb 0.34 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1zzb n LEU 33 CO 0.39 0.50 0.20 0.61 -1.33 0.00 0.00 177.39 177.76 1zzb n GLY 34 N -0.62 -0.43 3.22 -0.72 0.00 -1.10 -5.01 105.19 100.53 1zzb n GLY 34 Ca 0.03 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.96 1.16 0.31 1.61 0.41 -1.17 -5.10 118.70 109.95 1zzb s GLU 35 Ca 0.39 -1.60 -0.00 0.00 -0.41 0.00 0.00 54.97 53.35 1zzb s GLU 35 Cb -0.17 0.08 -0.04 0.00 -1.78 0.00 0.00 34.13 32.22 1zzb s GLU 35 CO 0.70 -0.30 0.52 0.95 -0.49 0.00 0.00 175.26 176.63 1zzb s THR 36 N -3.98 5.12 0.55 3.63 -4.23 -1.26 -4.34 115.64 111.12 1zzb s THR 36 Ca 0.33 -0.39 0.22 0.00 -1.18 0.00 0.00 61.69 60.68 1zzb s THR 36 Cb 0.07 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.40 1zzb s THR 36 CO 0.09 -0.45 2.19 1.55 -0.54 0.00 0.00 174.62 177.45 1zzb h PRO 37 N 1.12 0.00 -0.63 3.99 0.13 -1.90 -1.24 132.00 133.47 1zzb h PRO 37 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1zzb h PRO 37 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1zzb h PRO 37 CO 0.63 0.00 0.17 0.93 -0.23 0.00 0.00 178.00 179.50 1zzb h GLU 38 N 0.00 0.99 -0.54 0.86 3.07 -1.93 -0.30 114.58 116.73 1zzb h GLU 38 Ca 0.01 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.59 1zzb h GLU 38 Cb 0.05 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1zzb h GLU 38 CO -0.00 0.87 0.05 1.15 -1.40 0.00 0.00 179.01 179.68 1zzb h THR 39 N 0.94 1.26 0.04 1.13 2.02 -1.62 -0.22 112.91 116.47 1zzb h THR 39 Ca 0.20 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 1zzb h THR 39 Cb 0.32 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1zzb h THR 39 CO -0.00 0.37 -0.02 0.58 0.37 0.00 0.00 175.52 176.81 1zzb h VAL 40 N 0.79 1.01 -0.60 3.16 2.07 -1.06 -1.49 116.25 120.14 1zzb h VAL 40 Ca 0.16 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1zzb h VAL 40 Cb 0.46 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1zzb h VAL 40 CO 0.02 0.04 0.40 0.00 0.02 0.00 0.00 177.57 178.05 1zzb h ALA 41 N 0.82 1.85 -0.44 1.67 0.00 -0.91 -1.34 119.26 120.91 1zzb h ALA 41 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1zzb h ALA 41 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1zzb h ALA 41 CO 0.01 0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.38 1zzb h ALA 42 N 1.68 0.59 -0.82 0.00 0.00 -0.35 -2.34 119.26 118.02 1zzb h ALA 42 Ca 0.26 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1zzb h ALA 42 Cb 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1zzb h ALA 42 CO -0.08 0.32 0.51 -1.49 0.00 0.00 0.00 179.25 178.51 1zzb h TRP 43 N 0.60 0.95 0.00 0.00 6.55 -0.25 0.36 115.95 124.16 1zzb h TRP 43 Ca 0.13 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.00 1zzb h TRP 43 Cb 0.39 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1zzb h TRP 43 CO 0.03 0.50 0.00 0.39 -1.05 0.00 0.00 178.44 178.31 1zzb n GLU 44 N -4.63 0.44 -0.39 0.49 1.02 -0.93 -1.34 120.64 115.30 1zzb n GLU 44 Ca 0.11 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.38 1zzb n GLU 44 Cb 0.15 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.13 3.75 0.00 1.62 5.15 0.12 -4.75 115.26 120.02 1zzb n ASN 45 Ca 0.12 -2.49 0.00 0.00 -0.60 0.00 0.00 54.58 51.60 1zzb n ASN 45 Cb 0.10 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1zzb n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zzb n GLY 46 N 0.28 0.71 1.48 8.20 0.00 -0.45 -4.96 105.19 110.45 1zzb n GLY 46 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.50 3.74 0.00 1.61 1.02 -0.74 -4.24 120.64 119.53 1zzb n GLU 47 Ca 0.00 -2.32 0.14 0.00 -0.02 0.00 0.00 57.16 54.97 1zzb n GLU 47 Cb 0.00 -2.00 0.58 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.57 -0.23 0.67 0.62 0.00 -1.26 -4.49 105.19 101.07 1zzb n GLY 48 Ca 0.20 -0.40 0.49 0.00 0.00 0.00 0.00 46.02 46.31 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 4.89 0.02 0.68 -0.02 0.00 -1.89 0.62 103.07 107.37 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 0.00 -0.01 -0.38 1.18 0.00 0.00 0.00 176.54 177.34 1zzb n GLU 50 N -4.01 0.38 -1.66 4.80 -0.58 -1.26 -4.93 120.64 113.37 1zzb n GLU 50 Ca 0.40 -0.22 -0.44 0.00 -0.42 0.00 0.00 57.16 56.47 1zzb n GLU 50 Cb 1.81 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 31.17 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 -1.12 2.95 -4.90 -4.62 4.77 0.21 -4.96 117.00 109.32 1zzb n LEU 51 Ca 0.09 1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 56.95 1zzb n LEU 51 Cb 0.34 -1.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1zzb n LEU 51 CO 0.31 -0.67 0.63 0.42 -1.33 0.00 0.00 177.39 176.74 1zzb s THR 52 N -0.54 3.69 0.21 -5.08 -4.23 -1.26 -4.88 115.64 103.55 1zzb s THR 52 Ca 0.63 0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 61.29 1zzb s THR 52 Cb -0.65 -3.50 0.13 0.00 1.34 0.00 0.00 72.50 69.83 1zzb s THR 52 CO 0.55 -0.58 1.80 0.25 -0.54 0.00 0.00 174.62 176.10 1zzb h LEU 53 N -0.36 0.50 -0.62 4.79 5.85 -1.98 0.13 115.31 123.61 1zzb h LEU 53 Ca -0.45 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1zzb h LEU 53 Cb 1.25 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1zzb h LEU 53 CO 0.62 0.32 0.38 0.74 -0.34 0.00 0.00 178.44 180.16 1zzb h THR 54 N 0.64 1.18 -0.53 1.05 2.02 -1.99 0.72 112.91 116.00 1zzb h THR 54 Ca 0.29 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 1zzb h THR 54 Cb 0.19 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1zzb h THR 54 CO -0.19 0.18 -0.02 1.56 0.37 0.00 0.00 175.52 177.43 1zzb h GLN 55 N 0.84 0.90 -0.65 6.66 4.20 -1.70 -1.45 115.11 123.91 1zzb h GLN 55 Ca 0.22 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1zzb h GLN 55 Cb -0.03 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1zzb h GLN 55 CO -0.04 0.91 0.21 -0.07 -0.67 0.00 0.00 178.83 179.16 1zzb h LEU 56 N 0.83 0.94 -1.08 1.46 3.38 -0.31 -0.12 115.31 120.41 1zzb h LEU 56 Ca 0.15 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1zzb h LEU 56 Cb 0.52 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1zzb h LEU 56 CO 0.03 0.89 0.62 1.23 0.09 0.00 0.00 178.44 181.30 1zzb h GLY 57 N 0.93 1.35 1.27 0.83 0.00 -0.34 0.08 103.07 107.19 1zzb h GLY 57 Ca 0.21 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1zzb h GLY 57 CO -0.01 0.43 -0.31 -0.09 0.00 0.00 0.00 176.54 176.56 1zzb h ARG 58 N 1.22 0.82 -0.26 4.80 9.65 -0.65 -1.85 114.38 128.10 1zzb h ARG 58 Ca 0.36 -0.38 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 1zzb h ARG 58 Cb -0.04 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1zzb h ARG 58 CO -0.10 1.01 -0.02 0.82 2.80 0.00 0.00 179.97 184.48 1zzb h ILE 59 N 0.69 1.27 -0.36 1.20 2.04 -0.28 -2.32 117.51 119.75 1zzb h ILE 59 Ca 0.08 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1zzb h ILE 59 Cb 0.86 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1zzb h ILE 59 CO 0.08 0.31 0.19 0.00 0.00 0.00 0.00 178.15 178.72 1zzb h ALA 60 N 0.80 0.46 0.14 1.87 0.00 -0.98 -2.78 119.26 118.76 1zzb h ALA 60 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1zzb h ALA 60 Cb 0.47 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1zzb h ALA 60 CO 0.02 -0.01 -0.49 1.25 0.00 0.00 0.00 179.25 180.02 1zzb h HIS 61 N 0.45 -1.40 0.00 0.00 -0.00 -1.24 -0.82 115.15 112.14 1zzb h HIS 61 Ca 0.12 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1zzb h HIS 61 Cb 0.07 0.59 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1zzb h HIS 61 CO -0.02 -0.58 0.00 -0.39 -0.00 0.00 0.00 177.93 176.94 1zzb h VAL 62 N -0.73 0.00 -0.44 5.26 -1.51 -1.42 0.19 116.25 117.59 1zzb h VAL 62 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1zzb h VAL 62 Cb 0.74 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1zzb h VAL 62 CO -0.26 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.26 1zzb n LEU 63 N -2.63 3.03 -2.99 4.19 4.77 -0.61 -4.96 117.00 117.80 1zzb n LEU 63 Ca -0.01 -1.40 -0.22 0.00 -0.03 0.00 0.00 56.01 54.35 1zzb n LEU 63 Cb 0.13 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1zzb n LEU 63 CO 0.18 0.70 -0.02 0.61 -1.33 0.00 0.00 177.39 177.53 1zzb n GLY 64 N 1.42 -0.52 0.00 -0.72 0.00 0.65 -4.97 105.19 101.05 1zzb n GLY 64 Ca 0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.50 0.00 -3.82 2.61 5.66 -0.41 -5.02 114.28 108.80 1zzb n THR 65 Ca -0.12 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.67 1zzb n THR 65 Cb 0.63 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.37 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 -0.29 5.48 0.18 1.09 1.04 -1.26 -3.89 113.70 116.05 1zzb s SER 66 Ca 0.00 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.93 1zzb s SER 66 Cb 0.00 -1.13 0.09 0.00 0.10 0.00 0.00 66.02 65.08 1zzb s SER 66 CO 0.00 -0.29 1.81 0.40 0.98 0.00 0.00 173.24 176.13 1zzb h ILE 67 N 1.24 1.19 -0.67 -1.02 2.04 -1.93 -2.47 117.51 115.87 1zzb h ILE 67 Ca -0.46 -0.44 0.15 0.00 1.00 0.00 0.00 64.86 65.10 1zzb h ILE 67 Cb 1.25 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1zzb h ILE 67 CO 0.58 0.20 0.46 1.23 0.00 0.00 0.00 178.15 180.62 1zzb h GLY 68 N 0.82 0.48 2.00 5.37 0.00 -1.95 0.22 103.07 110.00 1zzb h GLY 68 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1zzb h GLY 68 CO -0.04 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1zzb h ALA 69 N 1.68 1.00 -0.02 3.60 0.00 -1.85 -2.96 119.26 120.71 1zzb h ALA 69 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1zzb h ALA 69 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1zzb h ALA 69 CO -0.08 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 180.39 1zzb n LEU 70 N -2.40 2.22 -4.41 0.00 4.77 0.71 -4.89 117.00 112.99 1zzb n LEU 70 Ca 0.03 -0.96 -0.31 0.00 -0.03 0.00 0.00 56.01 54.74 1zzb n LEU 70 Cb 0.31 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1zzb n LEU 70 CO 0.24 0.40 -0.52 0.42 -1.33 0.00 0.00 177.39 176.60 1zzb s THR 71 N -1.44 2.55 0.86 -5.08 -4.23 -0.84 -3.91 115.64 103.55 1zzb s THR 71 Ca 0.18 -1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 59.37 1zzb s THR 71 Cb 0.13 -2.03 0.11 0.00 1.34 0.00 0.00 72.50 72.05 1zzb s THR 71 CO 0.24 0.38 1.13 -2.16 -0.54 0.00 0.00 174.62 173.67 1zzb s PRO 72 N -1.27 1.44 1.05 3.99 0.04 -1.26 -4.89 135.00 134.09 1zzb s PRO 72 Ca 0.13 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1zzb s PRO 72 Cb -0.10 -1.78 0.21 0.00 0.04 0.00 0.00 34.50 32.87 1zzb s PRO 72 CO 0.03 -2.30 1.09 -1.25 0.04 0.00 0.00 177.00 174.61 1zzb s PRO 73 N -4.70 0.04 0.40 0.56 0.04 -1.26 -4.90 135.00 125.18 1zzb s PRO 73 Ca 0.65 0.45 0.21 0.00 0.04 0.00 0.00 61.00 62.35 1zzb s PRO 73 Cb -0.21 -1.70 1.18 0.00 0.04 0.00 0.00 34.50 33.81 1zzb s PRO 73 CO 0.57 -2.98 1.73 0.00 0.04 0.00 0.00 177.00 176.36 1zzb h ALA 74 N -2.07 2.33 0.00 8.56 0.00 -1.96 -3.48 119.26 122.65 1zzb h ALA 74 Ca -0.55 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1zzb h ALA 74 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1zzb h ALA 74 CO 0.55 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 179.41 1zzb n GLY 75 N -1.48 -0.08 3.00 0.00 0.00 -1.26 -4.97 105.19 100.40 1zzb n GLY 75 Ca 0.28 -2.28 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.23 3.92 -0.10 1.61 3.84 -1.26 -3.86 114.94 117.86 1zzb s ASN 76 Ca 0.00 -1.17 0.15 0.00 0.21 0.00 0.00 52.86 52.05 1zzb s ASN 76 Cb 0.00 -1.31 0.49 0.00 -0.55 0.00 0.00 41.25 39.87 1zzb s ASN 76 CO 0.00 -0.20 1.40 -0.90 -2.79 0.00 0.00 177.10 174.62 1zzb n ASP 77 N 4.60 3.73 -4.89 -4.21 5.68 -1.26 -5.02 116.55 115.18 1zzb n ASP 77 Ca -0.13 -2.55 -0.31 0.00 -0.50 0.00 0.00 54.79 51.30 1zzb n ASP 77 Cb 0.44 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 39.94 1zzb n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1zzb s LEU 78 N -2.00 4.14 -0.60 -2.12 1.43 -1.26 -4.82 118.68 113.45 1zzb s LEU 78 Ca 0.37 0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 1zzb s LEU 78 Cb 0.26 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 43.04 1zzb s LEU 78 CO 0.14 -0.10 0.52 -0.62 0.23 0.00 0.00 176.35 176.52 1zzb s ASP 79 N -2.61 6.11 -1.42 2.29 3.68 0.43 -4.51 116.67 120.64 1zzb s ASP 79 Ca 0.46 -2.17 -0.08 0.00 2.13 0.00 0.00 52.55 52.89 1zzb s ASP 79 Cb -0.11 -2.12 0.05 0.00 -1.45 0.00 0.00 42.92 39.29 1zzb s ASP 79 CO 0.24 -0.69 0.60 0.47 0.13 0.00 0.00 175.17 175.93 1zzb n ASP 80 N 4.64 -4.86 0.00 -0.34 10.43 -1.26 -1.59 116.55 123.57 1zzb n ASP 80 Ca -0.03 -0.39 0.00 0.00 2.57 0.00 0.00 54.79 56.94 1zzb n ASP 80 Cb 0.42 -3.95 0.00 0.00 1.84 0.00 0.00 41.12 39.43 1zzb n ASP 80 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1zzb n GLY 81 N -1.39 0.44 3.18 0.44 0.00 -1.26 -5.08 105.19 101.52 1zzb n GLY 81 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.02 1.02 -0.07 1.61 1.01 -0.62 -5.03 120.40 116.30 1zzb s VAL 82 Ca 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 60.41 1zzb s VAL 82 Cb 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1zzb s VAL 82 CO 0.00 -0.44 0.17 -0.51 0.00 0.00 0.00 175.10 174.32 1zzb s ILE 83 N -2.02 -0.03 0.26 2.22 2.07 -1.26 0.16 121.20 122.60 1zzb s ILE 83 Ca 0.03 0.10 0.12 0.00 -1.41 0.00 0.00 60.65 59.48 1zzb s ILE 83 Cb -0.05 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.22 1zzb s ILE 83 CO 0.01 0.04 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.26 1zzb s ILE 84 N 0.72 2.55 -0.04 2.00 1.01 -1.26 -5.01 121.20 121.17 1zzb s ILE 84 Ca -0.05 -2.26 -0.02 0.00 0.00 0.00 0.00 60.65 58.32 1zzb s ILE 84 Cb -0.07 -2.31 0.03 0.00 0.01 0.00 0.00 42.46 40.12 1zzb s ILE 84 CO -0.04 -0.32 0.08 -1.58 0.00 0.00 0.00 174.94 173.08 1zzb s GLN 85 N -3.30 -0.03 0.61 2.79 0.74 -1.26 -5.01 119.66 114.19 1zzb s GLN 85 Ca 0.28 0.35 -0.13 0.00 0.05 0.00 0.00 55.36 55.90 1zzb s GLN 85 Cb -0.06 -0.36 -0.04 0.00 1.10 0.00 0.00 33.01 33.65 1zzb s GLN 85 CO 0.14 -0.26 1.03 -1.64 -0.55 0.00 0.00 175.29 174.01 1zzb s MET 86 N 1.76 3.44 0.60 1.67 -1.94 -1.26 -4.91 119.30 118.67 1zzb s MET 86 Ca -0.01 0.97 0.31 0.00 -1.71 0.00 0.00 55.69 55.25 1zzb s MET 86 Cb -0.12 -2.06 1.79 0.00 2.01 0.00 0.00 34.83 36.45 1zzb s MET 86 CO -0.04 -0.70 2.17 -1.00 -0.01 0.00 0.00 175.02 175.45 1zzb h PRO 87 N 0.07 0.00 0.00 2.03 0.13 -2.01 -2.79 132.00 129.44 1zzb h PRO 87 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1zzb h PRO 87 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1zzb h PRO 87 CO 0.59 0.00 -0.95 -0.44 -0.23 0.00 0.00 178.00 176.97 1zzb h ASP 88 N 0.00 0.00 -0.06 1.44 5.19 -2.02 -3.37 116.42 117.60 1zzb h ASP 88 Ca 0.04 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1zzb h ASP 88 Cb 0.29 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1zzb h ASP 88 CO -0.00 0.36 0.04 -1.84 -3.12 0.00 0.00 179.24 174.68 1zzb n GLU 89 N -2.94 1.12 0.00 3.56 0.28 -1.05 -5.23 120.64 116.38 1zzb n GLU 89 Ca -0.03 -0.21 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 1zzb n GLU 89 Cb 0.71 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 32.40 1zzb n GLU 89 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1zzb n ARG 90 N 0.32 2.43 -3.84 3.44 1.85 -1.26 -4.95 116.66 114.64 1zzb n ARG 90 Ca 0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.55 1zzb n ARG 90 Cb 0.53 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.82 1zzb n ARG 90 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1zzb s ASP 101 N 1.00 4.87 -0.14 2.89 2.15 -1.26 -4.94 116.67 121.25 1zzb s ASP 101 Ca 0.00 -2.73 -0.05 0.00 0.43 0.00 0.00 52.55 50.20 1zzb s ASP 101 Cb 0.00 -1.75 -0.07 0.00 -0.30 0.00 0.00 42.92 40.80 1zzb s ASP 101 CO 0.00 -0.34 -0.17 0.00 -0.17 0.00 0.00 175.17 174.49 1zzb n TYR 102 N 3.58 0.00 -4.39 -5.34 9.36 -1.26 -4.81 117.16 114.30 1zzb n TYR 102 Ca 0.05 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.07 1zzb n TYR 102 Cb 0.37 -0.51 -0.10 0.00 -0.63 0.00 0.00 39.34 38.47 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 -2.26 1.70 -0.19 2.98 4.12 -1.26 -3.30 117.35 119.14 1zzb s TYR 103 Ca -0.19 -1.17 -0.05 0.00 0.02 0.00 0.00 57.07 55.68 1zzb s TYR 103 Cb 0.07 -1.04 0.06 0.00 -1.52 0.00 0.00 41.96 39.54 1zzb s TYR 103 CO 0.26 -0.27 0.09 0.08 0.02 0.00 0.00 175.55 175.73 1zzb s VAL 104 N -3.52 0.01 -0.23 0.71 1.01 -1.08 -4.98 120.40 112.31 1zzb s VAL 104 Ca 0.35 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 1zzb s VAL 104 Cb 0.07 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1zzb s VAL 104 CO 0.15 -0.31 0.57 -0.31 0.00 0.00 0.00 175.10 175.19 1zzb s TYR 105 N 2.09 3.31 -0.69 5.22 1.51 -1.26 -1.89 117.35 125.64 1zzb s TYR 105 Ca 0.02 0.77 -0.07 0.00 -1.01 0.00 0.00 57.07 56.78 1zzb s TYR 105 Cb -0.16 -2.76 0.18 0.00 -0.11 0.00 0.00 41.96 39.11 1zzb s TYR 105 CO -0.11 -0.24 0.55 -0.80 -1.11 0.00 0.00 175.55 173.84 1zzb s ASN 106 N 1.38 5.76 0.18 2.29 -0.87 -0.57 -4.98 114.94 118.12 1zzb s ASN 106 Ca 0.24 -2.77 -0.32 0.00 -1.57 0.00 0.00 52.86 48.45 1zzb s ASN 106 Cb -0.16 -1.98 -0.11 0.00 -0.02 0.00 0.00 41.25 38.99 1zzb s ASN 106 CO 0.09 -0.45 1.66 0.00 -2.57 0.00 0.00 177.10 175.84 1zzb s LEU 108 N 1.29 3.26 0.19 0.00 1.02 -0.46 -4.66 118.68 119.33 1zzb s LEU 108 Ca 0.73 -0.69 -0.28 0.00 0.02 0.00 0.00 54.13 53.91 1zzb s LEU 108 Cb -0.47 -1.96 -0.17 0.00 0.02 0.00 0.00 46.19 43.61 1zzb s LEU 108 CO 0.32 -1.20 0.55 0.55 0.02 0.00 0.00 176.35 176.59 1zzb n VAL 109 N -2.17 1.93 -4.27 -1.59 3.14 -1.26 -4.65 118.33 109.46 1zzb n VAL 109 Ca 0.13 -0.48 -0.15 0.00 -2.96 0.00 0.00 64.34 60.88 1zzb n VAL 109 Cb 0.61 -0.02 -0.10 0.00 -1.06 0.00 0.00 33.84 33.26 1zzb n VAL 109 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1zzb s ARG 110 N -0.98 1.22 -0.11 1.45 3.52 -1.26 -4.47 118.95 118.32 1zzb s ARG 110 Ca 0.65 -1.61 -0.26 0.00 -0.13 0.00 0.00 55.73 54.38 1zzb s ARG 110 Cb -0.94 -0.30 0.06 0.00 -1.56 0.00 0.00 34.95 32.22 1zzb s ARG 110 CO 0.56 -0.17 0.62 -0.08 -0.81 0.00 0.00 175.30 175.41 1zzb s THR 111 N -3.66 0.01 -0.48 4.11 -1.32 -1.26 -5.02 115.64 108.01 1zzb s THR 111 Ca 0.28 -0.06 0.26 0.00 -1.21 0.00 0.00 61.69 60.96 1zzb s THR 111 Cb 0.06 -0.91 0.29 0.00 -1.51 0.00 0.00 72.50 70.44 1zzb s THR 111 CO 0.07 -0.04 1.76 0.11 -2.21 0.00 0.00 174.62 174.32 1zzb h LYS 112 N 3.88 0.00 -0.00 7.08 1.57 -1.93 -2.90 116.57 124.26 1zzb h LYS 112 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1zzb h LYS 112 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1zzb h LYS 112 CO 0.29 0.00 -0.00 0.54 -0.57 0.00 0.00 179.45 179.71 1zzb n ARG 113 N -2.47 0.72 -2.74 3.15 5.12 -1.25 -4.09 116.66 115.10 1zzb n ARG 113 Ca 0.03 -0.01 -0.06 0.00 -1.93 0.00 0.00 57.85 55.88 1zzb n ARG 113 Cb 0.35 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.19 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 -1.13 -1.94 -0.32 7.54 0.00 -1.11 -5.04 120.51 118.51 1zzb n ALA 114 Ca 0.19 -1.09 0.18 0.00 0.00 0.00 0.00 53.44 52.72 1zzb n ALA 114 Cb 0.18 -1.73 0.43 0.00 0.00 0.00 0.00 19.45 18.33 1zzb n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1zzb h PRO 115 N 4.14 0.54 0.00 0.00 0.11 -1.68 -1.46 132.00 133.65 1zzb h PRO 115 Ca -0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1zzb h PRO 115 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1zzb h PRO 115 CO 0.16 0.36 0.00 0.66 -0.21 0.00 0.00 178.00 178.97 1zzb h SER 116 N 0.56 0.00 -2.98 -2.05 4.64 -1.92 -3.42 113.55 108.37 1zzb h SER 116 Ca 0.57 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.31 1zzb h SER 116 Cb 1.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1zzb h SER 116 CO -0.32 0.00 1.16 -0.22 -0.87 0.00 0.00 176.83 176.58 1zzb s LEU 117 N -5.70 3.59 -0.43 5.97 2.96 -0.55 -3.58 118.68 120.94 1zzb s LEU 117 Ca 0.00 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 1zzb s LEU 117 Cb 0.10 -3.53 0.15 0.00 0.50 0.00 0.00 46.19 43.40 1zzb s LEU 117 CO 0.46 -1.51 0.28 -0.69 -1.32 0.00 0.00 176.35 173.56 1zzb s VAL 118 N 5.95 0.87 0.24 1.68 1.01 0.09 -4.61 120.40 125.62 1zzb s VAL 118 Ca 0.70 -2.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.01 1zzb s VAL 118 Cb -0.18 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 1zzb s VAL 118 CO 0.32 -1.02 0.76 -2.16 0.00 0.00 0.00 175.10 173.01 1zzb s PRO 119 N 0.36 4.31 0.12 2.72 0.04 -1.26 -2.25 135.00 139.03 1zzb s PRO 119 Ca 0.22 0.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 1zzb s PRO 119 Cb -0.15 -2.88 -0.00 0.00 0.04 0.00 0.00 34.50 31.50 1zzb s PRO 119 CO -0.06 0.38 0.22 -0.51 0.04 0.00 0.00 177.00 177.08 1zzb s LEU 120 N -1.95 1.25 -0.27 -3.56 1.43 0.11 -1.35 118.68 114.34 1zzb s LEU 120 Ca 0.44 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1zzb s LEU 120 Cb -0.17 1.08 0.05 0.00 0.03 0.00 0.00 46.19 47.18 1zzb s LEU 120 CO 0.22 -0.79 -0.07 -0.69 0.23 0.00 0.00 176.35 175.25 1zzb s VAL 121 N -3.90 2.57 -0.15 -1.59 1.01 -0.75 -1.10 120.40 116.49 1zzb s VAL 121 Ca 0.10 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 1zzb s VAL 121 Cb 0.04 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1zzb s VAL 121 CO -0.07 0.00 0.05 -0.69 0.00 0.00 0.00 175.10 174.40 1zzb s VAL 122 N 1.20 4.72 -0.27 2.92 1.01 0.14 -1.51 120.40 128.61 1zzb s VAL 122 Ca -0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1zzb s VAL 122 Cb -0.19 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1zzb s VAL 122 CO -0.04 0.51 0.17 -1.81 0.00 0.00 0.00 175.10 173.94 1zzb s ASP 123 N -0.08 6.00 -0.51 3.32 1.01 -0.79 -1.43 116.67 124.18 1zzb s ASP 123 Ca 0.06 0.02 -0.16 0.00 0.71 0.00 0.00 52.55 53.17 1zzb s ASP 123 Cb -0.12 -2.10 0.10 0.00 1.01 0.00 0.00 42.92 41.80 1zzb s ASP 123 CO 0.01 -0.01 0.47 -0.69 0.21 0.00 0.00 175.17 175.16 1zzb s VAL 124 N 1.54 5.17 -0.64 -1.27 1.01 0.15 -2.65 120.40 123.71 1zzb s VAL 124 Ca 0.07 -1.18 0.25 0.00 0.00 0.00 0.00 61.98 61.12 1zzb s VAL 124 Cb -0.15 -4.24 0.30 0.00 0.00 0.00 0.00 36.38 32.28 1zzb s VAL 124 CO 0.09 -0.74 1.74 0.17 0.00 0.00 0.00 175.10 176.35 1zzb h LEU 125 N 8.96 0.00-10.02 3.92 -0.00 -1.82 -2.08 115.31 114.28 1zzb h LEU 125 Ca -0.29 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.03 1zzb h LEU 125 Cb 1.10 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 1zzb h LEU 125 CO 0.96 0.00 -0.47 0.28 -0.00 0.00 0.00 178.44 179.21 1zzb s THR 126 N -3.14 5.34 -0.23 0.15 -1.32 -1.26 -4.75 115.64 110.42 1zzb s THR 126 Ca 0.09 -0.62 0.23 0.00 -1.21 0.00 0.00 61.69 60.18 1zzb s THR 126 Cb 0.10 -3.72 0.49 0.00 -1.51 0.00 0.00 72.50 67.87 1zzb s THR 126 CO 0.61 -0.05 1.14 -0.90 -2.21 0.00 0.00 174.62 173.20 1zzb n ASP 127 N -0.39 1.35 -3.67 8.08 5.75 -1.26 -0.47 116.55 125.93 1zzb n ASP 127 Ca -0.07 -2.03 -0.29 0.00 -0.01 0.00 0.00 54.79 52.40 1zzb n ASP 127 Cb 0.53 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 40.10 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 -3.47 3.49 0.36 -1.12 3.84 -1.26 -2.65 114.94 114.12 1zzb s ASN 128 Ca 0.27 -2.68 0.18 0.00 0.21 0.00 0.00 52.86 50.84 1zzb s ASN 128 Cb 0.33 -0.96 1.24 0.00 -0.55 0.00 0.00 41.25 41.31 1zzb s ASN 128 CO -0.06 -0.25 1.61 -0.65 -2.79 0.00 0.00 177.10 174.96 1zzb h PRO 129 N 6.61 0.11 0.00 0.43 0.11 -1.94 0.76 132.00 138.08 1zzb h PRO 129 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1zzb h PRO 129 Cb 0.92 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1zzb h PRO 129 CO 0.46 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.07 1zzb n ASP 130 N -5.20 0.00 -0.92 -2.05 10.43 -1.26 -1.52 116.55 116.03 1zzb n ASP 130 Ca 0.35 -0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.79 1zzb n ASP 130 Cb 1.17 -0.28 0.24 0.00 1.84 0.00 0.00 41.12 44.09 1zzb n ASP 130 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1zzb n ASP 131 N -1.28 3.75 -4.77 -2.24 9.92 0.27 -5.01 116.55 117.19 1zzb n ASP 131 Ca 0.09 -2.64 -0.39 0.00 -0.53 0.00 0.00 54.79 51.33 1zzb n ASP 131 Cb 0.15 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 1zzb n ASP 131 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zzb s ALA 132 N -2.15 3.25 -0.29 2.24 0.00 -0.57 -5.00 121.76 119.23 1zzb s ALA 132 Ca 0.38 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1zzb s ALA 132 Cb 0.27 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 20.10 1zzb s ALA 132 CO 0.13 -0.44 -0.04 0.15 0.00 0.00 0.00 175.76 175.56 1zzb s LYS 133 N -2.07 1.89 0.73 0.00 -0.14 -1.26 -5.08 119.74 113.80 1zzb s LYS 133 Ca 0.53 -1.52 -0.14 0.00 -1.36 0.00 0.00 55.97 53.47 1zzb s LYS 133 Cb -0.31 -2.98 0.04 0.00 -1.68 0.00 0.00 37.83 32.90 1zzb s LYS 133 CO 0.40 -0.72 1.17 -0.06 -0.76 0.00 0.00 175.35 175.39 1zzb s PHE 134 N 1.05 2.17 0.43 3.18 0.40 -1.26 -4.76 117.98 119.20 1zzb s PHE 134 Ca -0.01 1.60 0.05 0.00 -0.60 0.00 0.00 56.93 57.97 1zzb s PHE 134 Cb -0.20 -3.37 0.01 0.00 0.51 0.00 0.00 43.02 39.97 1zzb s PHE 134 CO -0.07 -2.37 0.61 0.54 0.70 0.00 0.00 175.22 174.63 1zzb s ASN 135 N -2.26 5.67 0.00 1.36 2.20 -0.69 -4.97 114.94 116.25 1zzb s ASN 135 Ca 0.72 -0.16 0.08 0.00 -0.94 0.00 0.00 52.86 52.56 1zzb s ASN 135 Cb -0.26 -0.99 0.43 0.00 -2.00 0.00 0.00 41.25 38.43 1zzb s ASN 135 CO 0.46 -0.76 1.29 -1.20 -2.94 0.00 0.00 177.10 173.94 1zzb n SER 136 N -1.95 0.30 0.00 3.54 7.64 -1.26 -4.13 113.62 117.76 1zzb n SER 136 Ca 0.05 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1zzb n SER 136 Cb 0.59 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.69 0.54 3.03 0.23 0.00 -1.26 -4.61 105.19 103.81 1zzb n GLY 137 Ca 0.07 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.56 0.37 0.56 1.61 -3.43 -1.26 -4.88 115.29 105.69 1zzb s HIS 138 Ca 0.00 -0.76 -0.21 0.00 -0.80 0.00 0.00 55.06 53.29 1zzb s HIS 138 Cb 0.00 -0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 30.83 1zzb s HIS 138 CO 0.00 -0.27 1.30 0.00 -2.00 0.00 0.00 174.74 173.77 1zzb s ALA 139 N -2.52 2.74 0.00 -1.38 0.00 -1.26 -0.92 121.76 118.41 1zzb s ALA 139 Ca -0.06 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1zzb s ALA 139 Cb -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1zzb s ALA 139 CO -0.05 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1zzb n GLY 140 N 0.69 0.01 3.90 0.00 0.00 -1.26 -4.84 105.19 103.69 1zzb n GLY 140 Ca 0.11 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.37 5.52 -0.10 1.61 0.01 -1.05 -3.62 114.94 115.93 1zzb s ASN 141 Ca 0.00 0.88 -0.04 0.00 -0.71 0.00 0.00 52.86 52.99 1zzb s ASN 141 Cb 0.00 -1.78 0.05 0.00 0.41 0.00 0.00 41.25 39.93 1zzb s ASN 141 CO 0.00 -1.19 0.18 -0.70 -1.51 0.00 0.00 177.10 173.88 1zzb s GLU 142 N -5.14 0.06 0.02 -0.60 2.12 -0.80 -1.74 118.70 112.62 1zzb s GLU 142 Ca 0.56 0.54 -0.12 0.00 0.36 0.00 0.00 54.97 56.31 1zzb s GLU 142 Cb -0.11 -0.36 -0.06 0.00 0.26 0.00 0.00 34.13 33.87 1zzb s GLU 142 CO 0.48 -0.34 0.38 0.12 -0.54 0.00 0.00 175.26 175.35 1zzb s PHE 143 N 2.31 3.65 0.08 5.30 5.36 -0.36 -1.47 117.98 132.86 1zzb s PHE 143 Ca 0.03 0.85 0.02 0.00 -0.96 0.00 0.00 56.93 56.87 1zzb s PHE 143 Cb -0.12 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 1zzb s PHE 143 CO -0.07 0.60 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.72 1zzb s LEU 144 N -1.45 2.45 -0.13 6.12 1.02 0.60 0.02 118.68 127.30 1zzb s LEU 144 Ca 0.27 -0.90 -0.06 0.00 0.02 0.00 0.00 54.13 53.47 1zzb s LEU 144 Cb -0.15 -0.08 0.06 0.00 0.02 0.00 0.00 46.19 46.04 1zzb s LEU 144 CO 0.15 -0.41 0.30 0.12 0.02 0.00 0.00 176.35 176.52 1zzb s PHE 145 N -3.09 -0.46 -0.45 0.29 5.36 -0.19 -1.22 117.98 118.22 1zzb s PHE 145 Ca 0.06 1.01 -0.29 0.00 -0.96 0.00 0.00 56.93 56.76 1zzb s PHE 145 Cb 0.02 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 1zzb s PHE 145 CO -0.04 -0.32 1.42 0.08 -1.46 0.00 0.00 175.22 174.90 1zzb s VAL 146 N 1.85 3.87 0.05 3.12 1.01 0.43 -0.53 120.40 130.20 1zzb s VAL 146 Ca -0.05 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 1zzb s VAL 146 Cb -0.11 -4.25 -0.33 0.00 0.00 0.00 0.00 36.38 31.70 1zzb s VAL 146 CO -0.10 -0.85 1.06 0.25 0.00 0.00 0.00 175.10 175.47 1zzb h LEU 147 N 12.48 0.69 -7.07 3.92 5.85 -0.83 -1.59 115.31 128.76 1zzb h LEU 147 Ca -0.27 -0.74 -0.06 0.00 0.84 0.00 0.00 57.88 57.65 1zzb h LEU 147 Cb 1.10 -0.23 -0.21 0.00 0.37 0.00 0.00 40.66 41.70 1zzb h LEU 147 CO 1.11 1.57 0.08 -1.61 -0.34 0.00 0.00 178.44 179.25 1zzb s GLU 148 N -2.65 0.86 1.41 1.25 0.41 0.20 -4.82 118.70 115.37 1zzb s GLU 148 Ca -0.07 0.61 0.00 0.00 -0.41 0.00 0.00 54.97 55.10 1zzb s GLU 148 Cb 0.05 0.41 0.00 0.00 -1.78 0.00 0.00 34.13 32.81 1zzb s GLU 148 CO 0.92 -0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.92 1zzb n GLY 149 N 2.00 -1.84 3.45 -1.39 0.00 -1.26 -0.02 105.19 106.13 1zzb n GLY 149 Ca -0.16 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 2.11 -0.04 1.61 2.12 -1.26 -2.84 118.70 120.41 1zzb s GLU 150 Ca 0.00 -0.95 0.07 0.00 0.36 0.00 0.00 54.97 54.45 1zzb s GLU 150 Cb 0.00 -2.20 -0.01 0.00 0.26 0.00 0.00 34.13 32.18 1zzb s GLU 150 CO 0.00 0.55 -0.25 0.42 -0.54 0.00 0.00 175.26 175.43 1zzb s ILE 151 N -0.89 2.05 -0.44 -3.70 -1.09 0.15 -2.12 121.20 115.16 1zzb s ILE 151 Ca 0.14 -1.08 -0.08 0.00 -2.23 0.00 0.00 60.65 57.40 1zzb s ILE 151 Cb -0.10 -1.72 0.10 0.00 -1.58 0.00 0.00 42.46 39.16 1zzb s ILE 151 CO 0.04 0.57 0.28 -2.28 -1.23 0.00 0.00 174.94 172.33 1zzb s HIS 152 N -0.36 3.41 0.02 3.97 5.65 0.10 0.51 115.29 128.59 1zzb s HIS 152 Ca 0.02 -1.83 -0.15 0.00 0.25 0.00 0.00 55.06 53.36 1zzb s HIS 152 Cb -0.12 -3.22 -0.06 0.00 -1.18 0.00 0.00 32.58 28.00 1zzb s HIS 152 CO 0.02 -0.93 0.42 1.41 -0.65 0.00 0.00 174.74 175.01 1zzb s MET 153 N 1.35 3.92 0.01 2.88 1.75 0.20 -2.91 119.30 126.50 1zzb s MET 153 Ca 0.05 0.42 0.03 0.00 -1.25 0.00 0.00 55.69 54.94 1zzb s MET 153 Cb -0.24 -3.19 -0.01 0.00 2.84 0.00 0.00 34.83 34.22 1zzb s MET 153 CO -0.00 0.67 -0.10 0.15 -0.65 0.00 0.00 175.02 175.08 1zzb s LYS 154 N -1.19 0.76 0.23 4.11 1.02 -0.67 -1.21 119.74 122.79 1zzb s LYS 154 Ca 0.26 -0.49 -0.17 0.00 0.02 0.00 0.00 55.97 55.59 1zzb s LYS 154 Cb -0.17 -0.71 0.02 0.00 -0.52 0.00 0.00 37.83 36.45 1zzb s LYS 154 CO 0.14 0.19 0.56 1.67 -0.92 0.00 0.00 175.35 176.99 1zzb s TRP 155 N -0.52 0.02 0.00 3.18 -2.14 -0.77 -0.93 118.94 117.77 1zzb s TRP 155 Ca 0.01 -0.40 0.00 0.00 2.66 0.00 0.00 56.10 58.37 1zzb s TRP 155 Cb -0.05 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.72 1zzb s TRP 155 CO 0.00 -1.02 0.00 0.41 -2.66 0.00 0.00 176.95 173.68 1zzb n GLY 156 N -0.38 0.71 3.67 3.67 0.00 -0.61 -1.24 105.19 111.01 1zzb n GLY 156 Ca -0.06 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 6.96 0.60 1.61 2.15 -1.26 -4.46 116.67 118.28 1zzb s ASP 157 Ca 0.00 1.18 0.31 0.00 0.43 0.00 0.00 52.55 54.47 1zzb s ASP 157 Cb 0.00 -2.46 1.79 0.00 -0.30 0.00 0.00 42.92 41.95 1zzb s ASP 157 CO 0.00 -0.41 2.17 0.07 -0.17 0.00 0.00 175.17 176.82 1zzb h LYS 158 N 7.34 0.00 0.00 4.34 2.10 -1.95 0.34 116.57 128.75 1zzb h LYS 158 Ca -0.29 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.24 1zzb h LYS 158 Cb 1.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 1zzb h LYS 158 CO 0.84 0.00 -0.61 0.93 -2.00 0.00 0.00 179.45 178.61 1zzb h GLU 159 N 0.00 0.00 -1.12 0.07 3.07 -1.99 -3.39 114.58 111.22 1zzb h GLU 159 Ca 0.05 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.54 1zzb h GLU 159 Cb 0.30 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 27.96 1zzb h GLU 159 CO -0.00 0.55 -0.75 -1.71 -1.40 0.00 0.00 179.01 175.69 1zzb n ASN 160 N -3.22 -1.71 -4.90 1.42 4.05 -0.32 -5.15 115.26 105.43 1zzb n ASN 160 Ca 0.01 -2.92 -0.28 0.00 0.45 0.00 0.00 54.58 51.84 1zzb n ASN 160 Cb 0.77 0.72 -0.01 0.00 1.23 0.00 0.00 39.78 42.49 1zzb n ASN 160 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1zzb s PRO 161 N 0.05 3.61 0.44 1.20 0.04 0.10 -4.24 135.00 136.21 1zzb s PRO 161 Ca 0.33 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.55 1zzb s PRO 161 Cb 0.15 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1zzb s PRO 161 CO -0.17 -0.18 0.84 0.15 0.04 0.00 0.00 177.00 177.69 1zzb s LYS 162 N -4.52 3.85 0.07 4.56 -0.14 -0.37 -4.88 119.74 118.32 1zzb s LYS 162 Ca 0.49 0.66 -0.03 0.00 -1.36 0.00 0.00 55.97 55.72 1zzb s LYS 162 Cb -0.10 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 1zzb s LYS 162 CO 0.42 -0.11 0.04 -1.21 -0.76 0.00 0.00 175.35 173.73 1zzb s GLU 163 N -3.87 0.72 -0.17 1.68 2.02 -1.26 -1.86 118.70 115.96 1zzb s GLU 163 Ca 0.54 -1.18 -0.28 0.00 0.02 0.00 0.00 54.97 54.07 1zzb s GLU 163 Cb -0.10 0.25 0.07 0.00 0.10 0.00 0.00 34.13 34.45 1zzb s GLU 163 CO 0.30 -0.17 0.71 0.00 0.02 0.00 0.00 175.26 176.12 1zzb s ALA 164 N -3.92 -1.78 -0.29 5.21 0.00 -0.35 -4.99 121.76 115.64 1zzb s ALA 164 Ca 0.09 1.70 -0.14 0.00 0.00 0.00 0.00 51.96 53.62 1zzb s ALA 164 Cb 0.07 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1zzb s ALA 164 CO -0.09 -0.35 0.30 -0.51 0.00 0.00 0.00 175.76 175.11 1zzb s LEU 165 N -0.35 4.13 -0.20 0.00 2.01 -1.26 -0.63 118.68 122.39 1zzb s LEU 165 Ca -0.05 0.05 -0.01 0.00 0.01 0.00 0.00 54.13 54.13 1zzb s LEU 165 Cb -0.03 -2.29 0.01 0.00 0.01 0.00 0.00 46.19 43.89 1zzb s LEU 165 CO 0.05 -0.17 -0.12 -0.76 1.01 0.00 0.00 176.35 176.36 1zzb s LEU 166 N 1.94 2.54 0.53 1.79 1.43 0.18 -4.98 118.68 122.11 1zzb s LEU 166 Ca 0.11 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1zzb s LEU 166 Cb -0.16 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1zzb s LEU 166 CO 0.11 -0.02 0.79 -2.16 0.23 0.00 0.00 176.35 175.30 1zzb s PRO 167 N 1.37 2.90 0.17 1.29 0.04 -1.26 0.32 135.00 139.82 1zzb s PRO 167 Ca 0.05 -0.33 -0.33 0.00 0.04 0.00 0.00 61.00 60.42 1zzb s PRO 167 Cb -0.14 -2.42 -0.15 0.00 0.04 0.00 0.00 34.50 31.83 1zzb s PRO 167 CO -0.08 -0.54 1.29 2.41 0.04 0.00 0.00 177.00 180.11 1zzb n THR 168 N -2.35 0.64 0.00 1.26 -1.04 -1.13 -1.17 114.28 110.49 1zzb n THR 168 Ca 0.04 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1zzb n THR 168 Cb 0.58 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 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 2.27 2.85 3.77 3.41 0.00 -0.60 -5.02 105.19 111.88 1zzb n GLY 169 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 3.26 0.05 4.61 0.00 -0.32 -4.75 121.76 121.83 1zzb s ALA 170 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1zzb s ALA 170 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1zzb s ALA 170 CO 0.00 -0.57 -0.20 -1.54 0.00 0.00 0.00 175.76 173.45 1zzb s SER 171 N -0.91 2.40 0.11 0.00 1.04 -1.26 -0.43 113.70 114.65 1zzb s SER 171 Ca 0.54 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.42 1zzb s SER 171 Cb -0.34 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 1zzb s SER 171 CO 0.43 0.14 0.09 0.00 0.98 0.00 0.00 173.24 174.88 1zzb s MET 172 N -1.22 0.89 -0.06 4.02 0.23 -0.36 -4.97 119.30 117.83 1zzb s MET 172 Ca 0.07 -1.30 -0.00 0.00 -1.03 0.00 0.00 55.69 53.42 1zzb s MET 172 Cb -0.09 0.27 0.03 0.00 -1.53 0.00 0.00 34.83 33.51 1zzb s MET 172 CO 0.02 -0.26 -0.02 0.12 -2.03 0.00 0.00 175.02 172.85 1zzb s PHE 173 N -3.99 0.74 -0.17 3.16 5.36 -1.26 -0.29 117.98 121.52 1zzb s PHE 173 Ca 0.17 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 1zzb s PHE 173 Cb 0.07 -0.75 0.01 0.00 -0.34 0.00 0.00 43.02 42.00 1zzb s PHE 173 CO -0.02 -0.27 -0.17 0.14 -1.46 0.00 0.00 175.22 173.43 1zzb s VAL 174 N 1.47 2.34 0.69 3.12 -7.23 -0.54 -4.99 120.40 115.26 1zzb s VAL 174 Ca -0.02 -0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 59.13 1zzb s VAL 174 Cb -0.13 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.84 1zzb s VAL 174 CO -0.03 0.52 1.21 -0.70 -0.31 0.00 0.00 175.10 175.79 1zzb s GLU 175 N 1.14 2.41 0.24 4.82 2.12 -1.26 -1.91 118.70 126.26 1zzb s GLU 175 Ca 0.01 1.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.81 1zzb s GLU 175 Cb -0.14 -1.86 -0.15 0.00 0.26 0.00 0.00 34.13 32.24 1zzb s GLU 175 CO -0.07 -1.63 1.10 -0.85 -0.54 0.00 0.00 175.26 173.26 1zzb n GLU 176 N -2.38 1.31 -0.67 4.30 0.28 -1.24 -2.17 120.64 120.07 1zzb n GLU 176 Ca 0.13 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 1zzb n GLU 176 Cb 0.50 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.47 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 0.88 0.00 -2.67 -1.84 8.25 -0.10 -4.93 115.22 114.80 1zzb n HIS 177 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 1zzb n HIS 177 Cb 0.29 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.65 4.52 0.43 1.59 1.01 -0.92 -4.55 120.40 119.83 1zzb s VAL 178 Ca 0.00 1.63 -0.25 0.00 0.00 0.00 0.00 61.98 63.36 1zzb s VAL 178 Cb 0.00 -4.40 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 1zzb s VAL 178 CO 0.00 -0.50 1.28 -2.16 0.00 0.00 0.00 175.10 173.72 1zzb s PRO 179 N 3.64 3.85 0.22 2.72 0.04 -1.26 -4.57 135.00 139.64 1zzb s PRO 179 Ca 0.44 2.09 -0.10 0.00 0.04 0.00 0.00 61.00 63.47 1zzb s PRO 179 Cb -0.12 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1zzb s PRO 179 CO 0.16 -0.57 0.37 -3.38 0.04 0.00 0.00 177.00 173.63 1zzb s HIS 180 N -1.32 0.54 0.01 0.56 -3.43 -1.26 -1.58 115.29 108.81 1zzb s HIS 180 Ca 0.59 -0.87 -0.18 0.00 -0.80 0.00 0.00 55.06 53.80 1zzb s HIS 180 Cb -0.36 -0.02 0.03 0.00 -1.43 0.00 0.00 32.58 30.80 1zzb s HIS 180 CO 0.46 -0.87 0.40 0.00 -2.00 0.00 0.00 174.74 172.73 1zzb s ALA 181 N -4.04 -1.00 0.01 -1.38 0.00 -0.10 -1.71 121.76 113.54 1zzb s ALA 181 Ca 0.25 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1zzb s ALA 181 Cb 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1zzb s ALA 181 CO 0.08 -0.37 0.01 -0.06 0.00 0.00 0.00 175.76 175.43 1zzb s PHE 182 N -1.88 0.13 0.20 0.00 0.08 -1.26 -1.67 117.98 113.58 1zzb s PHE 182 Ca -0.09 -0.26 -0.18 0.00 0.12 0.00 0.00 56.93 56.52 1zzb s PHE 182 Cb -0.02 -0.10 0.03 0.00 -0.57 0.00 0.00 43.02 42.36 1zzb s PHE 182 CO 0.02 -0.14 0.55 0.95 -0.10 0.00 0.00 175.22 176.49 1zzb s THR 183 N -0.93 0.02 0.79 0.64 -4.23 -1.15 -4.87 115.64 105.92 1zzb s THR 183 Ca -0.10 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1zzb s THR 183 Cb -0.06 -1.60 0.07 0.00 1.34 0.00 0.00 72.50 72.25 1zzb s THR 183 CO -0.00 -0.09 1.10 0.00 -0.54 0.00 0.00 174.62 175.08 1zzb s ALA 184 N -3.87 2.28 0.44 3.99 0.00 0.37 0.00 121.76 124.97 1zzb s ALA 184 Ca 0.09 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 1zzb s ALA 184 Cb -0.02 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1zzb s ALA 184 CO -0.02 -1.70 1.29 0.00 0.00 0.00 0.00 175.76 175.32 1zzb s ALA 185 N -3.17 3.14 -0.04 0.00 0.00 -0.90 -4.32 121.76 116.47 1zzb s ALA 185 Ca 0.61 1.20 -0.34 0.00 0.00 0.00 0.00 51.96 53.42 1zzb s ALA 185 Cb -0.14 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.33 1zzb s ALA 185 CO 0.54 -0.89 0.94 1.17 0.00 0.00 0.00 175.76 177.52 1zzb n LYS 186 N -0.17 0.00 -2.37 0.00 3.00 -1.25 -4.85 118.16 112.52 1zzb n LYS 186 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.29 1zzb n LYS 186 Cb 0.45 -1.25 0.03 0.00 0.00 0.00 0.00 35.03 34.25 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 1.44 -0.02 3.91 3.14 0.00 -1.09 -5.06 105.19 107.52 1zzb n GLY 187 Ca 0.18 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1zzb n GLY 187 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzb s SER 190 N -3.27 6.19 0.06 1.61 1.04 -1.26 -5.14 113.70 112.93 1zzb s SER 190 Ca 0.17 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.54 1zzb s SER 190 Cb -0.02 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 1zzb s SER 190 CO 0.34 -0.64 -0.05 0.00 0.98 0.00 0.00 173.24 173.87 1zzb s ALA 191 N -2.79 0.57 -0.05 5.32 0.00 -0.78 -4.60 121.76 119.43 1zzb s ALA 191 Ca 0.48 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1zzb s ALA 191 Cb -0.10 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1zzb s ALA 191 CO 0.45 -0.23 -0.11 0.21 0.00 0.00 0.00 175.76 176.09 1zzb s LYS 192 N -2.98 1.39 0.05 0.00 2.20 0.97 0.29 119.74 121.66 1zzb s LYS 192 Ca 0.01 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 1zzb s LYS 192 Cb 0.00 -1.20 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 1zzb s LYS 192 CO -0.05 0.06 -0.00 -0.48 -0.36 0.00 0.00 175.35 174.52 1zzb s LEU 193 N 0.49 2.31 -0.26 5.43 0.05 -0.52 0.62 118.68 126.80 1zzb s LEU 193 Ca -0.10 -0.87 -0.09 0.00 0.05 0.00 0.00 54.13 53.13 1zzb s LEU 193 Cb -0.13 0.29 -0.04 0.00 -2.05 0.00 0.00 46.19 44.26 1zzb s LEU 193 CO 0.02 -0.56 0.12 -0.51 -0.55 0.00 0.00 176.35 174.87 1zzb s ILE 194 N -3.48 4.76 -0.07 1.48 2.07 0.31 0.24 121.20 126.51 1zzb s ILE 194 Ca 0.03 -0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1zzb s ILE 194 Cb 0.05 -3.24 -0.02 0.00 0.13 0.00 0.00 42.46 39.38 1zzb s ILE 194 CO -0.08 0.31 -0.18 0.00 -1.91 0.00 0.00 174.94 173.08 1zzb s ALA 195 N 1.59 2.48 -0.24 1.50 0.00 -0.26 -1.02 121.76 125.81 1zzb s ALA 195 Ca 0.06 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1zzb s ALA 195 Cb -0.15 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.11 1zzb s ALA 195 CO 0.06 0.43 0.01 0.08 0.00 0.00 0.00 175.76 176.34 1zzb s VAL 196 N -0.27 1.14 0.07 0.00 1.01 0.10 0.06 120.40 122.52 1zzb s VAL 196 Ca 0.01 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 1zzb s VAL 196 Cb -0.13 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1zzb s VAL 196 CO 0.03 -0.27 0.68 0.20 0.00 0.00 0.00 175.10 175.74 1zzb s ASN 197 N 1.55 7.17 0.00 3.32 0.01 -0.96 -1.22 114.94 124.82 1zzb s ASN 197 Ca -0.01 1.39 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 1zzb s ASN 197 Cb -0.18 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1zzb s ASN 197 CO -0.10 0.15 0.00 2.22 -1.51 0.00 0.00 177.10 177.86