#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pzy s GLU 2 N 0.00 3.70 1.39 -2.82 2.12 -1.26 -1.55 118.70 120.28 1pzy s GLU 2 Ca 0.00 -2.49 -0.23 0.00 0.36 0.00 0.00 54.97 52.61 1pzy s GLU 2 Cb 0.00 -4.51 0.35 0.00 0.26 0.00 0.00 34.13 30.23 1pzy s GLU 2 CO 0.00 -1.35 0.97 -0.51 -0.54 0.00 0.00 175.26 173.84 1pzy s LEU 3 N 0.28 -0.77 0.25 2.70 1.43 -0.62 -4.97 118.68 116.98 1pzy s LEU 3 Ca 0.22 0.73 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 1pzy s LEU 3 Cb -0.09 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1pzy s LEU 3 CO -0.09 -5.16 -0.10 0.28 0.23 0.00 0.00 176.35 171.51 1pzy s THR 4 N -2.46 2.99 0.00 5.49 -1.32 -1.26 -4.84 115.64 114.23 1pzy s THR 4 Ca 0.70 -2.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 1pzy s THR 4 Cb -0.11 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1pzy s THR 4 CO 0.57 -0.32 0.89 1.17 -2.21 0.00 0.00 174.62 174.72 1pzy n LYS 5 N -0.57 0.00 -0.27 7.08 4.81 -1.26 -0.07 118.16 127.88 1pzy n LYS 5 Ca -0.07 0.77 0.08 0.00 -0.87 0.00 0.00 58.31 58.22 1pzy n LYS 5 Cb 0.59 -1.39 0.22 0.00 0.02 0.00 0.00 35.03 34.47 1pzy n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pzy h LYS 7 N 0.30 -0.15 -0.01 0.00 1.63 -1.72 -0.89 116.57 115.73 1pzy h LYS 7 Ca 0.47 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.28 1pzy h LYS 7 Cb 0.83 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1pzy h LYS 7 CO -0.53 -0.10 0.01 0.28 -3.45 0.00 0.00 179.45 175.65 1pzy h VAL 8 N -0.16 1.08 -0.41 2.00 2.07 0.14 -1.56 116.25 119.41 1pzy h VAL 8 Ca 0.13 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1pzy h VAL 8 Cb 0.36 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1pzy h VAL 8 CO -0.33 0.06 0.47 -1.28 0.02 0.00 0.00 177.57 176.51 1pzy h SER 9 N -0.07 0.00 0.02 0.57 0.87 0.07 -1.88 113.55 113.12 1pzy h SER 9 Ca 0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.32 1pzy h SER 9 Cb 0.09 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1pzy h SER 9 CO -0.00 0.00 -1.32 0.45 -0.53 0.00 0.00 176.83 175.43 1pzy h HIS 10 N 0.00 0.06 -0.06 2.24 -0.00 -0.76 -3.21 115.15 113.42 1pzy h HIS 10 Ca 0.20 -0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1pzy h HIS 10 Cb 1.14 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1pzy h HIS 10 CO 0.00 1.52 0.19 0.00 -0.00 0.00 0.00 177.93 179.64 1pzy h ALA 11 N -0.42 1.37 -0.18 2.45 0.00 -0.55 -0.45 119.26 121.47 1pzy h ALA 11 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pzy h ALA 11 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1pzy h ALA 11 CO -0.17 -0.22 0.00 0.44 0.00 0.00 0.00 179.25 179.29 1pzy n ILE 12 N -3.21 1.38 0.04 0.00 -5.35 -0.78 -4.63 119.36 106.80 1pzy n ILE 12 Ca -0.01 -1.36 0.22 0.00 -0.27 0.00 0.00 62.75 61.33 1pzy n ILE 12 Cb 0.27 0.25 0.68 0.00 -1.74 0.00 0.00 39.64 39.09 1pzy n ILE 12 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1pzy h LYS 13 N 1.08 0.00 0.00 6.28 3.64 -1.07 0.24 116.57 126.74 1pzy h LYS 13 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pzy h LYS 13 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1pzy h LYS 13 CO 0.04 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.75 1pzy n ASP 14 N -3.54 0.00 0.00 4.20 2.03 -1.26 -2.93 116.55 115.04 1pzy n ASP 14 Ca 0.10 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1pzy n ASP 14 Cb 0.81 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1pzy n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pzy n ILE 15 N -0.73 0.00 -1.42 5.18 3.06 0.85 -5.03 119.36 121.27 1pzy n ILE 15 Ca 0.08 -0.45 -0.41 0.00 -2.50 0.00 0.00 62.75 59.47 1pzy n ILE 15 Cb 0.04 1.02 0.01 0.00 0.54 0.00 0.00 39.64 41.25 1pzy n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1pzy n ASP 16 N -0.69 -1.44 0.00 9.51 -0.08 -1.15 -2.26 116.55 120.44 1pzy n ASP 16 Ca 0.00 0.83 0.00 0.00 -1.51 0.00 0.00 54.79 54.11 1pzy n ASP 16 Cb 0.01 -1.07 0.00 0.00 2.34 0.00 0.00 41.12 42.40 1pzy n ASP 16 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pzy n GLY 17 N 1.93 0.70 3.60 0.27 0.00 0.11 -4.93 105.19 106.87 1pzy n GLY 17 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 1pzy n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1pzy n TYR 18 N -0.07 1.51 -1.33 1.61 9.36 -0.96 0.26 117.16 127.54 1pzy n TYR 18 Ca 0.00 0.62 -0.13 0.00 3.32 0.00 0.00 57.90 61.71 1pzy n TYR 18 Cb 0.00 -2.32 -0.06 0.00 -0.63 0.00 0.00 39.34 36.33 1pzy n TYR 18 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1pzy n GLN 19 N 1.75 -1.57 -0.78 2.98 -0.06 -1.26 -1.71 117.38 116.73 1pzy n GLN 19 Ca 0.14 0.88 0.00 0.00 -2.00 0.00 0.00 57.00 56.02 1pzy n GLN 19 Cb 0.27 -5.18 0.00 0.00 -4.06 0.00 0.00 30.24 21.27 1pzy n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pzy n GLY 20 N 0.00 0.60 3.74 1.69 0.00 0.14 -4.99 105.19 106.37 1pzy n GLY 20 Ca -0.13 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1pzy n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pzy s ILE 21 N -2.00 5.38 0.75 -0.61 -1.09 -0.69 -4.91 121.20 118.03 1pzy s ILE 21 Ca 0.00 0.29 -0.06 0.00 -2.23 0.00 0.00 60.65 58.65 1pzy s ILE 21 Cb 0.00 -3.51 0.10 0.00 -1.58 0.00 0.00 42.46 37.47 1pzy s ILE 21 CO 0.00 0.44 1.05 -0.94 -1.23 0.00 0.00 174.94 174.26 1pzy s SER 22 N 0.31 4.39 0.43 3.58 1.04 -1.26 0.10 113.70 122.28 1pzy s SER 22 Ca 0.11 0.17 0.24 0.00 0.48 0.00 0.00 55.95 56.94 1pzy s SER 22 Cb -0.12 -0.64 0.62 0.00 0.10 0.00 0.00 66.02 65.99 1pzy s SER 22 CO 0.00 -1.86 1.70 -0.07 0.98 0.00 0.00 173.24 173.99 1pzy h LEU 23 N -0.74 0.00 -0.32 2.42 3.38 -1.96 -2.46 115.31 115.64 1pzy h LEU 23 Ca -0.42 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1pzy h LEU 23 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1pzy h LEU 23 CO 0.50 0.15 -0.01 -0.07 0.09 0.00 0.00 178.44 179.11 1pzy h LEU 24 N 0.00 0.55 -0.76 1.67 3.38 -1.90 0.20 115.31 118.45 1pzy h LEU 24 Ca -0.00 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1pzy h LEU 24 Cb 0.92 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1pzy h LEU 24 CO 0.02 0.73 -0.06 -0.33 0.09 0.00 0.00 178.44 178.89 1pzy h GLU 25 N 0.36 0.87 -0.18 1.13 5.08 -1.86 -2.00 114.58 117.98 1pzy h GLU 25 Ca 0.09 -0.28 -0.18 0.00 -1.00 0.00 0.00 59.36 57.99 1pzy h GLU 25 Cb 0.45 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1pzy h GLU 25 CO 0.02 0.91 -0.60 -1.49 -1.00 0.00 0.00 179.01 176.85 1pzy h TRP 26 N 0.79 0.96 -0.23 4.33 4.06 -1.31 0.16 115.95 124.72 1pzy h TRP 26 Ca 0.14 -0.39 0.06 0.00 2.06 0.00 0.00 58.89 60.76 1pzy h TRP 26 Cb 0.57 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 28.50 1pzy h TRP 26 CO 0.03 1.20 -0.17 0.00 -3.56 0.00 0.00 178.44 175.94 1pzy h ALA 27 N 0.57 -0.01 0.34 1.49 0.00 -0.84 0.63 119.26 121.44 1pzy h ALA 27 Ca -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pzy h ALA 27 Cb 1.22 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1pzy h ALA 27 CO 0.13 -0.59 -0.22 0.00 0.00 0.00 0.00 179.25 178.57 1pzy h VAL 29 N -0.54 0.87 -0.31 0.00 2.07 -0.00 -2.84 116.25 115.50 1pzy h VAL 29 Ca -0.03 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1pzy h VAL 29 Cb 0.45 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1pzy h VAL 29 CO 0.03 0.07 -0.22 -0.07 0.02 0.00 0.00 177.57 177.41 1pzy h LEU 30 N 0.40 0.59 -0.83 2.57 3.38 0.37 0.36 115.31 122.15 1pzy h LEU 30 Ca 0.24 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1pzy h LEU 30 Cb 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1pzy h LEU 30 CO -0.22 0.80 0.38 0.15 0.09 0.00 0.00 178.44 179.64 1pzy h PHE 31 N 0.52 1.22 0.00 1.13 3.57 -1.15 -0.06 116.94 122.17 1pzy h PHE 31 Ca 0.08 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1pzy h PHE 31 Cb 0.66 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1pzy h PHE 31 CO 0.03 0.89 -0.62 0.45 -2.23 0.00 0.00 178.31 176.83 1pzy h HIS 32 N 1.19 0.00 0.16 0.41 3.86 -1.32 -0.05 115.15 119.39 1pzy h HIS 32 Ca 0.28 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.27 1pzy h HIS 32 Cb 0.15 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.64 1pzy h HIS 32 CO 0.02 0.44 -0.98 1.15 0.86 0.00 0.00 177.93 179.41 1pzy h THR 33 N 0.00 1.43 0.00 2.45 2.02 -0.64 -3.43 112.91 114.75 1pzy h THR 33 Ca -0.03 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1pzy h THR 33 Cb 1.36 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 70.90 1pzy h THR 33 CO 0.05 0.73 0.00 -1.54 0.37 0.00 0.00 175.52 175.13 1pzy n SER 34 N -4.04 0.11 -1.95 4.18 3.41 -0.10 -4.88 113.62 110.35 1pzy n SER 34 Ca -0.15 -0.63 -0.15 0.00 -0.26 0.00 0.00 58.87 57.67 1pzy n SER 34 Cb 0.88 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.91 1pzy n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pzy n GLY 35 N 0.07 -0.21 2.45 5.00 0.00 -0.03 -1.96 105.19 110.51 1pzy n GLY 35 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1pzy n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pzy n TYR 36 N -4.08 -0.46 -3.28 1.61 4.01 -1.21 -4.73 117.16 109.02 1pzy n TYR 36 Ca -0.13 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.18 1pzy n TYR 36 Cb 0.61 -3.46 -0.08 0.00 -0.31 0.00 0.00 39.34 36.10 1pzy n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1pzy s ASP 37 N -2.41 6.23 0.61 7.72 2.15 -0.83 -1.59 116.67 128.55 1pzy s ASP 37 Ca 0.00 -0.52 0.40 0.00 0.43 0.00 0.00 52.55 52.86 1pzy s ASP 37 Cb 0.00 -2.24 2.06 0.00 -0.30 0.00 0.00 42.92 42.44 1pzy s ASP 37 CO 0.00 -0.59 2.22 0.71 -0.17 0.00 0.00 175.17 177.35 1pzy h THR 38 N 5.73 0.00 -0.65 1.71 1.35 -1.62 -2.21 112.91 117.22 1pzy h THR 38 Ca -0.27 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1pzy h THR 38 Cb 1.11 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1pzy h THR 38 CO 0.80 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.07 1pzy n GLN 39 N -3.02 2.81 -1.73 4.72 6.02 -1.26 -3.93 117.38 120.98 1pzy n GLN 39 Ca -0.02 -2.55 -0.42 0.00 -0.01 0.00 0.00 57.00 54.00 1pzy n GLN 39 Cb 0.14 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1pzy n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pzy n ALA 40 N 1.37 2.32 -3.69 -1.58 0.00 -0.83 -4.75 120.51 113.35 1pzy n ALA 40 Ca 0.22 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.85 1pzy n ALA 40 Cb 0.59 -2.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.43 1pzy n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pzy s VAL 41 N 0.14 -0.12 0.03 0.00 1.01 -1.26 -0.45 120.40 119.75 1pzy s VAL 41 Ca 0.66 0.38 0.04 0.00 0.00 0.00 0.00 61.98 63.07 1pzy s VAL 41 Cb -0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1pzy s VAL 41 CO 0.47 0.16 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 1pzy s VAL 42 N 1.98 1.03 -1.07 2.92 1.01 -1.01 -4.99 120.40 120.28 1pzy s VAL 42 Ca 0.02 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1pzy s VAL 42 Cb -0.12 -0.93 0.27 0.00 0.00 0.00 0.00 36.38 35.59 1pzy s VAL 42 CO -0.03 0.02 1.06 0.21 0.00 0.00 0.00 175.10 176.36 1pzy s ASN 43 N -1.00 7.22 -0.93 3.32 3.84 -1.26 -1.52 114.94 124.60 1pzy s ASN 43 Ca 0.01 -3.42 -0.24 0.00 0.21 0.00 0.00 52.86 49.42 1pzy s ASN 43 Cb -0.07 -2.22 0.01 0.00 -0.55 0.00 0.00 41.25 38.42 1pzy s ASN 43 CO 0.01 -0.35 1.65 -0.62 -2.79 0.00 0.00 177.10 175.00 1pzy s ASP 44 N 1.51 5.88 1.52 -4.21 -1.08 -1.01 -4.85 116.67 114.43 1pzy s ASP 44 Ca 0.29 -0.98 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 1pzy s ASP 44 Cb -0.10 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1pzy s ASP 44 CO -0.08 -2.06 0.00 -3.20 0.52 0.00 0.00 175.17 170.35 1pzy n ASN 45 N 11.11 0.00 0.00 -0.34 4.05 -1.26 -2.46 115.26 126.37 1pzy n ASN 45 Ca 0.33 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.44 1pzy n ASN 45 Cb 0.49 0.00 0.36 0.00 1.23 0.00 0.00 39.78 41.86 1pzy n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pzy n GLY 46 N 0.00 -1.00 1.42 8.20 0.00 -1.26 -4.84 105.19 107.71 1pzy n GLY 46 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1pzy n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pzy n SER 47 N -1.45 2.29 -3.94 1.61 3.41 -1.03 -5.06 113.62 109.45 1pzy n SER 47 Ca 0.05 -1.82 -0.14 0.00 -0.26 0.00 0.00 58.87 56.70 1pzy n SER 47 Cb 0.17 0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.08 1pzy n SER 47 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pzy s THR 48 N -1.52 0.26 -0.08 6.66 2.01 -1.26 -2.41 115.64 119.30 1pzy s THR 48 Ca 0.03 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.78 1pzy s THR 48 Cb -0.00 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1pzy s THR 48 CO 0.02 -0.02 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.13 1pzy s GLU 49 N -0.34 2.80 -0.02 4.92 2.02 -0.58 -1.23 118.70 126.27 1pzy s GLU 49 Ca -0.01 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.24 1pzy s GLU 49 Cb -0.03 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1pzy s GLU 49 CO -0.00 0.38 -0.18 0.71 0.02 0.00 0.00 175.26 176.19 1pzy s TYR 50 N -0.13 2.58 0.05 1.61 1.51 -0.09 -2.39 117.35 120.49 1pzy s TYR 50 Ca -0.03 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1pzy s TYR 50 Cb -0.14 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1pzy s TYR 50 CO 0.04 0.15 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1pzy n GLY 51 N 2.17 -1.86 0.32 0.71 0.00 0.40 -1.73 105.19 105.20 1pzy n GLY 51 Ca -0.17 -1.32 0.16 0.00 0.00 0.00 0.00 46.02 44.70 1pzy n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pzy h LEU 52 N 0.00 0.22 -0.41 0.99 5.85 -1.67 0.16 115.31 120.45 1pzy h LEU 52 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1pzy h LEU 52 Cb 0.21 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1pzy h LEU 52 CO 0.00 -0.12 -0.34 0.49 -0.34 0.00 0.00 178.44 178.13 1pzy n PHE 53 N -5.14 0.00 -3.77 1.25 3.72 -1.26 -4.20 117.46 108.06 1pzy n PHE 53 Ca 0.25 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.39 1pzy n PHE 53 Cb 0.77 -0.14 0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1pzy n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1pzy n GLN 54 N -0.81 -2.99 -2.45 -1.08 1.13 0.57 -4.90 117.38 106.84 1pzy n GLN 54 Ca 0.10 0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 55.23 1pzy n GLN 54 Cb 0.35 -4.60 -0.03 0.00 0.11 0.00 0.00 30.24 26.07 1pzy n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1pzy s ILE 55 N -3.70 4.23 0.40 5.09 1.01 -0.70 -4.42 121.20 123.11 1pzy s ILE 55 Ca 0.18 1.56 -0.22 0.00 0.00 0.00 0.00 60.65 62.16 1pzy s ILE 55 Cb -0.06 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 1pzy s ILE 55 CO 0.85 0.02 0.96 -0.55 0.00 0.00 0.00 174.94 176.22 1pzy s SER 56 N 1.43 6.98 0.00 3.58 0.15 -1.26 -0.91 113.70 123.67 1pzy s SER 56 Ca 0.56 1.78 0.27 0.00 0.70 0.00 0.00 55.95 59.26 1pzy s SER 56 Cb -0.25 -2.56 0.94 0.00 -1.71 0.00 0.00 66.02 62.45 1pzy s SER 56 CO 0.23 -0.33 1.69 -0.90 1.20 0.00 0.00 173.24 175.12 1pzy n ASP 57 N -0.32 0.72 -0.05 5.45 5.75 -0.37 -2.49 116.55 125.25 1pzy n ASP 57 Ca 0.06 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 1pzy n ASP 57 Cb 0.53 0.04 0.30 0.00 -1.03 0.00 0.00 41.12 40.95 1pzy n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1pzy h ARG 58 N 0.81 0.64 0.00 0.11 9.65 -1.81 -3.41 114.38 120.38 1pzy h ARG 58 Ca 0.00 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1pzy h ARG 58 Cb 0.44 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1pzy h ARG 58 CO 0.00 0.56 -0.12 1.19 2.80 0.00 0.00 179.97 184.40 1pzy n PHE 59 N -4.34 0.00 -0.03 2.20 0.99 -1.25 -4.31 117.46 110.72 1pzy n PHE 59 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.42 1pzy n PHE 59 Cb 0.17 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.52 1pzy n PHE 59 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1pzy n TRP 60 N -0.91 0.69 -4.18 1.38 7.02 -1.04 -0.57 117.44 119.83 1pzy n TRP 60 Ca 0.00 0.24 -0.12 0.00 -1.02 0.00 0.00 57.50 56.60 1pzy n TRP 60 Cb 0.06 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 27.77 1pzy n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1pzy s LYS 62 N -3.64 4.22 0.28 0.00 2.20 -0.43 -4.47 119.74 117.90 1pzy s LYS 62 Ca 0.11 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 1pzy s LYS 62 Cb 0.03 -3.45 -0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1pzy s LYS 62 CO -0.03 0.18 0.05 -1.13 -0.36 0.00 0.00 175.35 174.06 1pzy n SER 63 N 3.79 1.95 -0.03 1.43 3.41 -1.20 -0.47 113.62 122.50 1pzy n SER 63 Ca -0.12 -2.37 -0.13 0.00 -0.26 0.00 0.00 58.87 56.00 1pzy n SER 63 Cb 0.52 0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.82 1pzy n SER 63 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1pzy h SER 64 N 0.89 0.14 0.57 4.04 4.64 -2.00 -3.01 113.55 118.81 1pzy h SER 64 Ca -0.23 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 1pzy h SER 64 Cb 0.77 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1pzy h SER 64 CO 0.37 0.59 0.00 -0.33 -0.87 0.00 0.00 176.83 176.59 1pzy h GLU 65 N -0.30 0.00 -2.07 4.77 5.08 -2.01 -3.30 114.58 116.75 1pzy h GLU 65 Ca 0.01 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.80 1pzy h GLU 65 Cb 0.54 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.39 1pzy h GLU 65 CO 0.01 0.00 -0.94 1.19 -1.00 0.00 0.00 179.01 178.27 1pzy n PHE 66 N -2.34 1.05 0.44 4.33 0.99 -1.14 -4.87 117.46 115.92 1pzy n PHE 66 Ca 0.01 -3.77 0.13 0.00 -0.00 0.00 0.00 57.45 53.82 1pzy n PHE 66 Cb 0.19 -0.42 0.45 0.00 -1.00 0.00 0.00 39.48 38.70 1pzy n PHE 66 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1pzy h PRO 67 N 3.97 0.00 0.00 -1.08 0.11 -1.63 -2.75 132.00 130.62 1pzy h PRO 67 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1pzy h PRO 67 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1pzy h PRO 67 CO 0.59 0.00 -0.92 -0.85 -0.21 0.00 0.00 178.00 176.62 1pzy n GLU 68 N -2.46 0.18 -1.25 1.05 0.28 -1.26 -4.99 120.64 112.19 1pzy n GLU 68 Ca 0.03 -0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.66 1pzy n GLU 68 Cb 0.34 -1.56 0.04 0.00 1.43 0.00 0.00 31.44 31.70 1pzy n GLU 68 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1pzy n SER 69 N -1.79 -2.61 0.28 -1.84 2.88 -1.04 -4.81 113.62 104.68 1pzy n SER 69 Ca 0.03 0.58 0.12 0.00 -1.33 0.00 0.00 58.87 58.27 1pzy n SER 69 Cb 0.40 -1.03 0.81 0.00 -0.75 0.00 0.00 64.21 63.63 1pzy n SER 69 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1pzy h GLU 70 N -0.24 0.00 -6.87 -1.46 4.39 -1.75 -3.46 114.58 105.19 1pzy h GLU 70 Ca -0.44 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.68 1pzy h GLU 70 Cb 1.38 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.94 1pzy h GLU 70 CO 0.40 0.00 -0.97 -1.71 -1.16 0.00 0.00 179.01 175.58 1pzy n ASN 71 N -4.12 -1.49 -0.32 1.42 4.05 -0.98 -4.82 115.26 109.02 1pzy n ASN 71 Ca -0.03 -1.22 0.07 0.00 0.45 0.00 0.00 54.58 53.85 1pzy n ASN 71 Cb 0.09 -2.02 0.23 0.00 1.23 0.00 0.00 39.78 39.31 1pzy n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1pzy h ILE 72 N -2.10 0.80 0.00 -1.44 2.04 -0.84 0.98 117.51 116.96 1pzy h ILE 72 Ca -0.67 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1pzy h ILE 72 Cb 1.39 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1pzy h ILE 72 CO 0.61 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.90 1pzy n GLY 74 N 0.74 -0.63 3.16 0.00 0.00 0.34 -4.97 105.19 103.83 1pzy n GLY 74 Ca 0.15 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 1pzy n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pzy s ILE 75 N -3.69 0.05 0.10 -0.61 1.09 -1.26 -5.07 121.20 111.81 1pzy s ILE 75 Ca 0.26 -0.42 -0.30 0.00 -1.10 0.00 0.00 60.65 59.09 1pzy s ILE 75 Cb -0.10 -0.47 -0.06 0.00 -1.06 0.00 0.00 42.46 40.77 1pzy s ILE 75 CO 0.88 -0.23 1.03 -0.55 -0.10 0.00 0.00 174.94 175.97 1pzy s SER 76 N -0.93 7.36 0.59 3.58 0.15 -1.26 -1.32 113.70 121.86 1pzy s SER 76 Ca -0.10 1.86 0.28 0.00 0.70 0.00 0.00 55.95 58.70 1pzy s SER 76 Cb -0.05 -2.59 1.60 0.00 -1.71 0.00 0.00 66.02 63.27 1pzy s SER 76 CO 0.02 -0.19 2.05 0.00 1.20 0.00 0.00 173.24 176.32 1pzy h ASP 78 N 0.00 0.17 0.33 0.00 3.32 -1.91 -2.28 116.42 116.05 1pzy h ASP 78 Ca 0.12 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1pzy h ASP 78 Cb 0.66 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1pzy h ASP 78 CO -0.00 0.44 0.00 0.29 -1.72 0.00 0.00 179.24 178.24 1pzy n LYS 79 N -4.17 0.23 -0.65 3.56 4.76 -0.67 -1.87 118.16 119.35 1pzy n LYS 79 Ca -0.01 0.13 0.06 0.00 -2.87 0.00 0.00 58.31 55.62 1pzy n LYS 79 Cb 0.35 -1.50 0.32 0.00 -1.84 0.00 0.00 35.03 32.36 1pzy n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1pzy n LEU 80 N -1.29 4.53 0.00 -0.35 4.77 -0.86 -4.00 117.00 119.80 1pzy n LEU 80 Ca 0.08 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 1pzy n LEU 80 Cb 0.14 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1pzy n LEU 80 CO 0.13 0.60 0.09 0.18 -1.33 0.00 0.00 177.39 177.06 1pzy n LEU 81 N 0.65 0.36 0.00 2.23 4.77 -0.78 -3.23 117.00 120.99 1pzy n LEU 81 Ca 0.22 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1pzy n LEU 81 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1pzy n LEU 81 CO 0.24 0.09 0.00 -0.90 -1.33 0.00 0.00 177.39 175.49 1pzy n ASP 82 N -0.54 0.00 -1.29 -1.43 5.68 -1.26 -4.31 116.55 113.40 1pzy n ASP 82 Ca 0.00 -0.50 0.11 0.00 -0.50 0.00 0.00 54.79 53.90 1pzy n ASP 82 Cb 0.01 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.29 1pzy n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1pzy n ASP 83 N -1.51 3.86 -4.35 -1.12 8.00 -1.26 -4.79 116.55 115.37 1pzy n ASP 83 Ca 0.00 -2.00 -0.44 0.00 0.71 0.00 0.00 54.79 53.06 1pzy n ASP 83 Cb 0.00 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.57 1pzy n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pzy s GLU 84 N -1.03 2.94 0.00 -1.24 2.02 -1.26 -4.91 118.70 115.22 1pzy s GLU 84 Ca 0.47 -1.47 0.20 0.00 0.02 0.00 0.00 54.97 54.19 1pzy s GLU 84 Cb 0.24 -4.14 0.91 0.00 0.10 0.00 0.00 34.13 31.24 1pzy s GLU 84 CO 0.32 -1.11 1.63 1.28 0.02 0.00 0.00 175.26 177.40 1pzy n LEU 85 N 5.19 0.99 -0.11 1.80 4.77 -1.26 -4.17 117.00 124.21 1pzy n LEU 85 Ca -0.13 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.39 1pzy n LEU 85 Cb 0.43 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1pzy n LEU 85 CO 0.48 0.21 0.93 0.44 -1.33 0.00 0.00 177.39 178.12 1pzy h ASP 86 N 1.33 0.11 1.64 -1.43 3.32 -1.90 0.26 116.42 119.74 1pzy h ASP 86 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pzy h ASP 86 Cb 0.29 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1pzy h ASP 86 CO 0.00 0.10 -0.04 -2.24 -1.72 0.00 0.00 179.24 175.33 1pzy h ASP 87 N 0.26 0.00 0.07 6.45 2.03 -1.94 -2.32 116.42 120.97 1pzy h ASP 87 Ca 0.17 -0.01 -0.16 0.00 -0.73 0.00 0.00 57.03 56.31 1pzy h ASP 87 Cb 0.16 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.68 1pzy h ASP 87 CO -0.19 0.00 -0.65 0.44 -1.03 0.00 0.00 179.24 177.82 1pzy h ASP 88 N 0.00 0.46 -0.59 4.15 3.45 -1.60 -2.30 116.42 119.99 1pzy h ASP 88 Ca 0.00 -0.86 -0.02 0.00 0.43 0.00 0.00 57.03 56.58 1pzy h ASP 88 Cb 0.84 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.44 1pzy h ASP 88 CO 0.00 1.27 0.31 0.40 -1.57 0.00 0.00 179.24 179.66 1pzy h ILE 89 N -0.29 1.20 -0.08 0.35 2.04 -0.48 0.16 117.51 120.40 1pzy h ILE 89 Ca -0.10 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1pzy h ILE 89 Cb 1.43 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1pzy h ILE 89 CO 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 178.15 178.49 1pzy h ALA 90 N 1.48 0.11 -0.59 1.87 0.00 -1.43 -1.30 119.26 119.41 1pzy h ALA 90 Ca 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1pzy h ALA 90 Cb 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1pzy h ALA 90 CO -0.03 -0.19 0.26 0.00 0.00 0.00 0.00 179.25 179.29 1pzy h ALA 92 N 1.10 0.83 -0.44 0.00 0.00 -0.59 -0.74 119.26 119.42 1pzy h ALA 92 Ca 0.20 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1pzy h ALA 92 Cb 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1pzy h ALA 92 CO -0.02 -0.11 0.17 0.87 0.00 0.00 0.00 179.25 180.16 1pzy h LYS 93 N 0.51 0.35 -0.33 0.00 1.57 -0.61 0.13 116.57 118.18 1pzy h LYS 93 Ca 0.31 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1pzy h LYS 93 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1pzy h LYS 93 CO -0.26 0.23 0.17 0.87 -0.57 0.00 0.00 179.45 179.89 1pzy h LYS 94 N 0.36 0.35 -0.71 3.15 1.57 -0.63 0.31 116.57 120.97 1pzy h LYS 94 Ca 0.20 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1pzy h LYS 94 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1pzy h LYS 94 CO -0.19 0.23 0.47 0.82 -0.57 0.00 0.00 179.45 180.21 1pzy h ILE 95 N 0.36 1.09 -0.60 1.86 2.04 -0.55 0.23 117.51 121.93 1pzy h ILE 95 Ca 0.13 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1pzy h ILE 95 Cb 0.03 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1pzy h ILE 95 CO -0.08 0.15 0.06 -0.07 0.00 0.00 0.00 178.15 178.21 1pzy h LEU 96 N 0.83 0.99 -0.01 1.44 3.38 0.65 0.20 115.31 122.80 1pzy h LEU 96 Ca 0.29 -0.28 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 1pzy h LEU 96 Cb 0.10 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1pzy h LEU 96 CO -0.08 1.03 -1.11 0.00 0.09 0.00 0.00 178.44 178.36 1pzy h ALA 97 N 1.00 0.21 0.00 1.53 0.00 -0.15 -2.64 119.26 119.20 1pzy h ALA 97 Ca 0.18 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 1pzy h ALA 97 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1pzy h ALA 97 CO 0.02 0.87 -0.67 0.82 0.00 0.00 0.00 179.25 180.28 1pzy h ILE 98 N 0.16 1.29 0.00 0.00 2.04 -0.56 -3.43 117.51 117.01 1pzy h ILE 98 Ca -0.12 -2.22 -0.32 0.00 1.00 0.00 0.00 64.86 63.20 1pzy h ILE 98 Cb 1.79 2.69 -0.06 0.00 -0.74 0.00 0.00 36.82 40.50 1pzy h ILE 98 CO 0.19 0.44 -2.20 1.17 0.00 0.00 0.00 178.15 177.74 1pzy n LYS 99 N -4.52 0.82 0.00 2.37 4.81 0.48 -5.07 118.16 117.04 1pzy n LYS 99 Ca -0.22 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1pzy n LYS 99 Cb 0.58 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1pzy n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pzy n GLY 100 N 2.27 1.56 0.33 3.14 0.00 0.17 -4.68 105.19 107.98 1pzy n GLY 100 Ca -0.34 -2.07 0.17 0.00 0.00 0.00 0.00 46.02 43.78 1pzy n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pzy h ILE 101 N 0.00 0.37 0.00 -0.61 6.09 -1.85 -2.63 117.51 118.87 1pzy h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1pzy h ILE 101 Cb 0.00 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.18 1pzy h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1pzy n ASP 102 N -3.62 0.00 -0.07 2.19 10.43 -1.26 -1.67 116.55 122.55 1pzy n ASP 102 Ca -0.01 0.07 -0.03 0.00 2.57 0.00 0.00 54.79 57.39 1pzy n ASP 102 Cb 0.22 -0.22 0.21 0.00 1.84 0.00 0.00 41.12 43.17 1pzy n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1pzy h TYR 103 N 0.00 0.74 -1.68 1.24 3.20 -1.78 -3.33 116.97 115.35 1pzy h TYR 103 Ca 0.00 -0.09 -0.62 0.00 3.14 0.00 0.00 58.73 61.16 1pzy h TYR 103 Cb 0.06 -0.21 -0.12 0.00 1.54 0.00 0.00 36.73 38.00 1pzy h TYR 103 CO 0.00 0.70 1.21 -1.58 -1.64 0.00 0.00 178.16 176.85 1pzy s TRP 104 N -4.98 2.68 0.61 -3.82 0.51 -0.67 -4.87 118.94 108.40 1pzy s TRP 104 Ca -0.09 -0.91 0.28 0.00 -2.12 0.00 0.00 56.10 53.26 1pzy s TRP 104 Cb 0.15 -4.55 1.40 0.00 -0.81 0.00 0.00 33.47 29.65 1pzy s TRP 104 CO 0.79 -1.81 1.80 0.87 -0.51 0.00 0.00 176.95 178.10 1pzy h LYS 105 N 9.53 0.00 0.00 4.98 1.57 -1.84 0.14 116.57 130.95 1pzy h LYS 105 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1pzy h LYS 105 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1pzy h LYS 105 CO 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 180.19 1pzy n ALA 106 N -2.23 2.24 0.35 3.86 0.00 -1.26 -4.26 120.51 119.20 1pzy n ALA 106 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1pzy n ALA 106 Cb 0.73 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 1pzy n ALA 106 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1pzy h TYR 107 N 0.00 -1.01 -0.69 0.00 3.20 -1.29 -1.28 116.97 115.89 1pzy h TYR 107 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1pzy h TYR 107 Cb 0.70 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1pzy h TYR 107 CO 0.00 -0.57 0.44 -0.22 -1.64 0.00 0.00 178.16 176.17 1pzy h LYS 108 N -0.95 0.85 0.01 1.82 3.64 -1.78 -0.12 116.57 120.04 1pzy h LYS 108 Ca -0.09 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.00 1pzy h LYS 108 Cb 0.76 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1pzy h LYS 108 CO 0.10 0.57 -1.23 -1.00 -2.27 0.00 0.00 179.45 175.62 1pzy h PRO 109 N 0.88 0.03 0.00 1.90 0.13 -1.77 -3.37 132.00 129.80 1pzy h PRO 109 Ca 0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1pzy h PRO 109 Cb -0.02 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1pzy h PRO 109 CO -0.09 0.88 -1.27 -1.33 -0.23 0.00 0.00 178.00 175.96 1pzy n MET 110 N -3.28 1.15 -1.59 0.86 2.81 -0.49 -4.73 117.12 111.84 1pzy n MET 110 Ca -0.06 -0.08 -0.08 0.00 -1.81 0.00 0.00 57.70 55.67 1pzy n MET 110 Cb 0.98 -1.23 0.09 0.00 -0.71 0.00 0.00 33.22 32.35 1pzy n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pzy n SER 112 N -0.72 5.41 0.00 0.00 7.64 -1.24 -4.88 113.62 119.83 1pzy n SER 112 Ca 0.27 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.40 1pzy n SER 112 Cb 0.87 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1pzy n SER 112 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1pzy n GLU 113 N -0.62 0.00 -4.03 1.43 0.28 -1.26 -5.05 120.64 111.38 1pzy n GLU 113 Ca 0.45 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 57.01 1pzy n GLU 113 Cb 0.73 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.62 1pzy n GLU 113 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1pzy n LYS 114 N -0.92 -0.41 -0.02 3.44 5.02 -1.26 -4.86 118.16 119.15 1pzy n LYS 114 Ca 0.00 0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.51 1pzy n LYS 114 Cb 0.00 -2.54 -0.15 0.00 -0.02 0.00 0.00 35.03 32.32 1pzy n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pzy n LEU 115 N -4.76 0.14 -0.27 -0.35 4.77 -1.26 -4.41 117.00 110.86 1pzy n LEU 115 Ca -0.13 0.06 0.09 0.00 -0.03 0.00 0.00 56.01 55.99 1pzy n LEU 115 Cb 0.58 0.12 0.23 0.00 -2.33 0.00 0.00 43.42 42.02 1pzy n LEU 115 CO 0.73 0.12 0.94 1.05 -1.33 0.00 0.00 177.39 178.90 1pzy h GLU 116 N 0.00 0.25 -0.06 3.23 -0.00 -1.96 0.96 114.58 117.01 1pzy h GLU 116 Ca -0.15 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 59.22 1pzy h GLU 116 Cb 1.35 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 30.04 1pzy h GLU 116 CO 0.01 0.16 0.05 -0.56 -0.00 0.00 0.00 179.01 178.67 1pzy h GLN 117 N 0.26 0.00 0.00 1.06 3.07 -1.98 -1.21 115.11 116.31 1pzy h GLN 117 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.22 1pzy h GLN 117 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 1pzy h GLN 117 CO -0.57 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.26 1pzy n TRP 118 N -4.28 0.00 -2.40 0.06 7.02 0.33 -4.86 117.44 113.32 1pzy n TRP 118 Ca -0.02 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.06 1pzy n TRP 118 Cb 0.15 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.00 1pzy n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1pzy s ARG 119 N -2.00 4.51 -0.36 -0.99 3.52 -0.46 -4.70 118.95 118.47 1pzy s ARG 119 Ca 0.46 1.86 -0.10 0.00 -0.13 0.00 0.00 55.73 57.82 1pzy s ARG 119 Cb 0.21 -3.08 0.03 0.00 -1.56 0.00 0.00 34.95 30.54 1pzy s ARG 119 CO 0.35 0.07 0.18 0.00 -0.81 0.00 0.00 175.30 175.09 1pzy h GLU 121 N 8.38 0.00 -6.53 0.00 4.39 -1.98 -3.45 114.58 115.40 1pzy h GLU 121 Ca -0.26 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.92 1pzy h GLU 121 Cb 1.10 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1pzy h GLU 121 CO 0.65 0.36 0.86 0.21 -1.16 0.00 0.00 179.01 179.93 1pzy s LYS 122 N -3.46 4.25 0.00 2.33 2.20 -1.26 -5.26 119.74 118.54 1pzy s LYS 122 Ca 0.01 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1pzy s LYS 122 Cb 0.10 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1pzy s LYS 122 CO 0.69 -0.59 0.25 -2.30 -0.36 0.00 0.00 175.35 173.04