#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jzi s GLU 2 N 0.00 3.79 -0.55 0.00 2.12 -1.26 -5.01 118.70 117.80 1jzi s GLU 2 Ca 0.00 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1jzi s GLU 2 Cb 0.00 -3.18 0.54 0.00 0.26 0.00 0.00 34.13 31.75 1jzi s GLU 2 CO 0.00 0.10 1.93 0.00 -0.54 0.00 0.00 175.26 176.75 1jzi s SER 4 N -1.72 -0.55 -0.12 0.00 1.04 -1.26 -1.41 113.70 109.66 1jzi s SER 4 Ca 0.60 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.94 1jzi s SER 4 Cb 0.49 0.59 0.04 0.00 0.10 0.00 0.00 66.02 67.23 1jzi s SER 4 CO 0.04 -0.95 0.32 0.54 0.98 0.00 0.00 173.24 174.17 1jzi s VAL 5 N -3.66 -0.01 -0.25 5.02 0.11 -0.58 -4.94 120.40 116.08 1jzi s VAL 5 Ca 0.01 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.96 1jzi s VAL 5 Cb -0.01 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1jzi s VAL 5 CO -0.12 0.01 0.25 -1.81 -3.33 0.00 0.00 175.10 170.10 1jzi s ASP 6 N 0.41 6.16 0.03 3.54 1.01 -1.26 -1.25 116.67 125.31 1jzi s ASP 6 Ca -0.02 0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.48 1jzi s ASP 6 Cb -0.04 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1jzi s ASP 6 CO -0.02 -0.04 -0.20 -0.63 0.21 0.00 0.00 175.17 174.49 1jzi s ILE 7 N 1.51 1.63 0.05 0.77 1.01 -0.34 -4.97 121.20 120.85 1jzi s ILE 7 Ca 0.11 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 59.73 1jzi s ILE 7 Cb -0.15 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1jzi s ILE 7 CO 0.08 0.26 -0.21 -1.10 0.00 0.00 0.00 174.94 173.97 1jzi s GLN 8 N -1.00 1.95 -0.16 2.79 -0.21 -1.26 -1.43 119.66 120.34 1jzi s GLN 8 Ca 0.07 -1.04 0.00 0.00 0.02 0.00 0.00 55.36 54.41 1jzi s GLN 8 Cb -0.08 -2.11 0.03 0.00 1.00 0.00 0.00 33.01 31.85 1jzi s GLN 8 CO 0.01 0.53 -0.09 0.20 -2.12 0.00 0.00 175.29 173.81 1jzi s GLY 9 N -1.44 1.05 0.12 3.09 0.00 -0.43 -1.72 107.32 108.00 1jzi s GLY 9 Ca 0.14 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1jzi s GLY 9 CO 0.05 0.75 0.11 1.16 0.00 0.00 0.00 173.10 175.17 1jzi n ASN 10 N 4.81 1.17 0.00 1.64 0.23 -0.88 -3.75 115.26 118.48 1jzi n ASN 10 Ca -0.14 -1.40 0.10 0.00 -0.53 0.00 0.00 54.58 52.61 1jzi n ASN 10 Cb 0.48 -0.03 0.47 0.00 -2.08 0.00 0.00 39.78 38.62 1jzi n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jzi n ASP 11 N -2.18 0.00 -0.60 0.53 8.00 -1.26 -2.43 116.55 118.62 1jzi n ASP 11 Ca 0.00 0.24 0.09 0.00 0.71 0.00 0.00 54.79 55.83 1jzi n ASP 11 Cb 0.14 -0.39 0.29 0.00 -0.02 0.00 0.00 41.12 41.14 1jzi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jzi n GLN 12 N -1.39 1.77 -3.51 -1.24 1.13 -1.26 -4.90 117.38 107.98 1jzi n GLN 12 Ca 0.07 -1.17 -0.20 0.00 -1.94 0.00 0.00 57.00 53.76 1jzi n GLN 12 Cb 0.19 -1.35 0.08 0.00 0.11 0.00 0.00 30.24 29.28 1jzi n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1jzi n MET 13 N 0.41 -7.13 -4.06 -1.09 1.56 -1.02 -5.01 117.12 100.79 1jzi n MET 13 Ca 0.14 0.83 -0.14 0.00 -0.27 0.00 0.00 57.70 58.27 1jzi n MET 13 Cb 0.32 -5.86 -0.14 0.00 2.15 0.00 0.00 33.22 29.69 1jzi n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1jzi s GLN 14 N -5.77 0.34 0.38 2.12 -1.52 -1.26 -4.17 119.66 109.78 1jzi s GLN 14 Ca 0.24 -0.27 -0.03 0.00 -1.95 0.00 0.00 55.36 53.35 1jzi s GLN 14 Cb -0.11 -0.26 -0.04 0.00 -0.22 0.00 0.00 33.01 32.38 1jzi s GLN 14 CO 0.73 0.06 0.63 -0.06 -0.25 0.00 0.00 175.29 176.41 1jzi s PHE 15 N -0.41 3.51 -0.32 0.91 0.08 -1.26 -2.08 117.98 118.43 1jzi s PHE 15 Ca -0.02 0.59 0.12 0.00 0.12 0.00 0.00 56.93 57.74 1jzi s PHE 15 Cb -0.04 -2.09 0.74 0.00 -0.57 0.00 0.00 43.02 41.06 1jzi s PHE 15 CO -0.00 -0.00 1.67 0.27 -0.10 0.00 0.00 175.22 177.05 1jzi n ASN 16 N -1.72 5.21 -3.76 1.36 6.94 -0.70 -4.87 115.26 117.72 1jzi n ASN 16 Ca -0.02 -2.92 -0.13 0.00 -0.02 0.00 0.00 54.58 51.49 1jzi n ASN 16 Cb 0.55 -0.69 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 1jzi n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jzi s THR 17 N -2.66 -0.00 -0.25 5.53 2.01 -1.26 -4.94 115.64 114.06 1jzi s THR 17 Ca 0.50 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.62 1jzi s THR 17 Cb 0.39 -0.47 -0.14 0.00 0.01 0.00 0.00 72.50 72.29 1jzi s THR 17 CO 0.14 0.00 0.34 0.59 -0.69 0.00 0.00 174.62 175.01 1jzi n ASN 18 N 3.00 1.52 -3.76 3.53 3.02 -1.26 -4.77 115.26 116.54 1jzi n ASN 18 Ca -0.14 -0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1jzi n ASN 18 Cb 0.57 1.25 -0.11 0.00 -0.61 0.00 0.00 39.78 40.89 1jzi n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jzi s ALA 19 N -2.38 -0.79 -0.04 5.41 0.00 -1.26 -0.76 121.76 121.93 1jzi s ALA 19 Ca -0.00 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1jzi s ALA 19 Cb 0.07 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1jzi s ALA 19 CO 0.44 -0.16 -0.07 0.42 0.00 0.00 0.00 175.76 176.39 1jzi s ILE 20 N 0.10 0.70 -0.19 0.00 1.01 0.31 -4.96 121.20 118.18 1jzi s ILE 20 Ca -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1jzi s ILE 20 Cb -0.02 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1jzi s ILE 20 CO 0.01 0.25 -0.14 -0.89 0.00 0.00 0.00 174.94 174.17 1jzi s THR 21 N 0.56 2.64 -0.26 2.92 2.01 -1.26 -2.33 115.64 119.92 1jzi s THR 21 Ca -0.09 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 1jzi s THR 21 Cb -0.12 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1jzi s THR 21 CO 0.01 0.49 0.47 -0.69 -0.69 0.00 0.00 174.62 174.22 1jzi s VAL 22 N 1.24 5.10 0.21 3.82 1.01 -0.10 -4.97 120.40 126.71 1jzi s VAL 22 Ca 0.03 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 1jzi s VAL 22 Cb -0.14 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1jzi s VAL 22 CO -0.07 0.11 1.24 -0.62 0.00 0.00 0.00 175.10 175.76 1jzi s ASP 23 N 1.57 7.01 0.47 3.32 -1.08 -1.26 -1.44 116.67 125.26 1jzi s ASP 23 Ca 0.19 2.33 0.14 0.00 -0.52 0.00 0.00 52.55 54.70 1jzi s ASP 23 Cb -0.16 -2.61 1.11 0.00 -1.46 0.00 0.00 42.92 39.81 1jzi s ASP 23 CO 0.09 -0.42 2.06 0.11 0.52 0.00 0.00 175.17 177.53 1jzi h LYS 24 N 5.02 0.25 0.00 4.34 1.57 -1.95 -1.38 116.57 124.42 1jzi h LYS 24 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1jzi h LYS 24 Cb 1.21 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1jzi h LYS 24 CO 0.74 0.17 0.00 0.77 -0.57 0.00 0.00 179.45 180.56 1jzi h SER 25 N 0.26 0.00 -3.31 0.86 0.02 -1.93 -3.42 113.55 106.03 1jzi h SER 25 Ca 0.16 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.55 1jzi h SER 25 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1jzi h SER 25 CO -0.03 0.00 0.50 0.00 -1.14 0.00 0.00 176.83 176.16 1jzi h LYS 27 N 7.00 0.00 -4.31 0.00 1.57 -1.87 -3.43 116.57 115.52 1jzi h LYS 27 Ca -0.35 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.26 1jzi h LYS 27 Cb 1.17 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1jzi h LYS 27 CO 0.82 0.59 -0.70 -0.65 -0.57 0.00 0.00 179.45 178.94 1jzi s GLN 28 N -2.74 0.58 -0.00 3.15 -0.21 -1.26 -1.36 119.66 117.81 1jzi s GLN 28 Ca -0.02 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.35 1jzi s GLN 28 Cb 0.09 0.03 -0.01 0.00 1.00 0.00 0.00 33.01 34.12 1jzi s GLN 28 CO 0.81 -0.05 -0.07 0.12 -2.12 0.00 0.00 175.29 173.98 1jzi s PHE 29 N -2.93 0.62 -0.07 0.91 5.36 -0.48 -4.83 117.98 116.55 1jzi s PHE 29 Ca 0.00 -0.14 0.05 0.00 -0.96 0.00 0.00 56.93 55.89 1jzi s PHE 29 Cb 0.01 -0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1jzi s PHE 29 CO -0.05 -0.01 -0.24 0.99 -1.46 0.00 0.00 175.22 174.45 1jzi s THR 30 N -0.22 1.98 -0.21 0.12 2.01 -0.50 -1.35 115.64 117.47 1jzi s THR 30 Ca 0.02 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 1jzi s THR 30 Cb -0.03 -1.69 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1jzi s THR 30 CO -0.00 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.72 1jzi s VAL 31 N 0.06 3.14 -0.53 3.82 1.01 0.29 -1.53 120.40 126.66 1jzi s VAL 31 Ca -0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1jzi s VAL 31 Cb -0.15 -2.41 0.14 0.00 0.00 0.00 0.00 36.38 33.95 1jzi s VAL 31 CO 0.05 0.44 0.42 0.20 0.00 0.00 0.00 175.10 176.22 1jzi s ASN 32 N 1.43 5.83 0.03 3.32 0.01 -0.38 -1.38 114.94 123.80 1jzi s ASN 32 Ca 0.05 -2.07 -0.16 0.00 -0.71 0.00 0.00 52.86 49.98 1jzi s ASN 32 Cb -0.14 -2.04 -0.06 0.00 0.41 0.00 0.00 41.25 39.42 1jzi s ASN 32 CO -0.05 -0.67 0.46 -0.22 -1.51 0.00 0.00 177.10 175.11 1jzi s LEU 33 N 1.13 4.48 0.04 0.60 2.96 0.15 -1.20 118.68 126.85 1jzi s LEU 33 Ca 0.08 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1jzi s LEU 33 Cb -0.24 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 1jzi s LEU 33 CO -0.01 0.29 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.34 1jzi s SER 34 N -1.15 0.41 -0.41 3.68 1.04 -0.51 -0.89 113.70 115.87 1jzi s SER 34 Ca 0.26 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1jzi s SER 34 Cb -0.17 0.16 0.11 0.00 0.10 0.00 0.00 66.02 66.22 1jzi s SER 34 CO 0.16 -0.49 0.14 -2.28 0.98 0.00 0.00 173.24 171.75 1jzi s HIS 35 N -3.00 3.23 -2.00 5.02 2.46 -0.18 -1.31 115.29 119.50 1jzi s HIS 35 Ca -0.01 -2.90 0.24 0.00 0.47 0.00 0.00 55.06 52.85 1jzi s HIS 35 Cb 0.01 -2.69 1.42 0.00 -0.13 0.00 0.00 32.58 31.19 1jzi s HIS 35 CO -0.07 -0.86 1.82 -0.35 -2.47 0.00 0.00 174.74 172.82 1jzi n PRO 36 N 3.85 0.84 -1.27 2.88 -0.04 -1.25 -0.30 135.00 139.72 1jzi n PRO 36 Ca 0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1jzi n PRO 36 Cb 0.38 -1.44 0.14 0.00 -0.04 0.00 0.00 33.50 32.54 1jzi n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jzi n GLY 37 N 0.64 -1.46 0.00 0.55 0.00 -1.26 -4.82 105.19 98.84 1jzi n GLY 37 Ca 0.18 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1jzi n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jzi n ASN 38 N -3.63 0.63 -4.78 1.61 5.15 -1.26 -3.15 115.26 109.84 1jzi n ASN 38 Ca 0.11 -0.97 -0.38 0.00 -0.60 0.00 0.00 54.58 52.75 1jzi n ASN 38 Cb 0.40 0.03 -0.06 0.00 -0.53 0.00 0.00 39.78 39.62 1jzi n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jzi s LEU 39 N -0.07 4.45 0.53 1.20 1.02 -1.26 -4.89 118.68 119.66 1jzi s LEU 39 Ca 0.00 1.81 -0.21 0.00 0.02 0.00 0.00 54.13 55.75 1jzi s LEU 39 Cb 0.00 -3.79 -0.07 0.00 0.02 0.00 0.00 46.19 42.35 1jzi s LEU 39 CO 0.00 0.03 1.05 -2.65 0.02 0.00 0.00 176.35 174.80 1jzi n PRO 40 N 0.93 1.22 -0.06 1.29 -0.02 -1.26 -3.13 135.00 133.97 1jzi n PRO 40 Ca -0.00 0.45 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 1jzi n PRO 40 Cb 0.49 -2.20 0.57 0.00 -0.02 0.00 0.00 33.50 32.35 1jzi n PRO 40 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jzi h LYS 41 N 1.06 0.25 0.00 -0.52 3.64 -1.90 0.44 116.57 119.54 1jzi h LYS 41 Ca -0.48 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1jzi h LYS 41 Cb 1.34 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1jzi h LYS 41 CO 0.54 0.17 -0.04 -2.95 -2.27 0.00 0.00 179.45 174.90 1jzi h ASN 42 N 0.26 0.00 0.00 4.20 7.08 -1.96 -0.89 115.58 124.27 1jzi h ASN 42 Ca 0.28 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.48 1jzi h ASN 42 Cb 0.76 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.99 1jzi h ASN 42 CO -0.06 0.04 -1.43 1.33 -2.08 0.00 0.00 177.43 175.23 1jzi n VAL 43 N -3.15 0.08 -2.75 6.14 0.24 -0.52 -4.79 118.33 113.58 1jzi n VAL 43 Ca 0.01 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 1jzi n VAL 43 Cb 0.35 0.14 0.06 0.00 -1.47 0.00 0.00 33.84 32.92 1jzi n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1jzi n MET 44 N -1.88 1.46 -2.54 7.34 1.56 0.03 -5.01 117.12 118.08 1jzi n MET 44 Ca -0.03 -3.02 -0.37 0.00 -0.27 0.00 0.00 57.70 54.00 1jzi n MET 44 Cb 0.31 -1.13 -0.04 0.00 2.15 0.00 0.00 33.22 34.51 1jzi n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1jzi s GLY 45 N -3.07 2.82 0.03 -5.12 0.00 -0.34 -4.74 107.32 96.90 1jzi s GLY 45 Ca 0.24 0.73 0.03 0.00 0.00 0.00 0.00 44.72 45.72 1jzi s GLY 45 CO -0.03 1.20 -0.09 0.30 0.00 0.00 0.00 173.10 174.49 1jzi s HIS 46 N -1.54 0.76 0.14 1.90 3.76 -0.26 -4.68 115.29 115.38 1jzi s HIS 46 Ca 0.54 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1jzi s HIS 46 Cb -0.24 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 1jzi s HIS 46 CO 0.30 -0.03 0.10 0.54 -0.85 0.00 0.00 174.74 174.80 1jzi s ASN 47 N -1.14 0.26 -0.23 1.40 2.20 -1.26 -0.38 114.94 115.79 1jzi s ASN 47 Ca -0.04 -1.15 0.01 0.00 -0.94 0.00 0.00 52.86 50.74 1jzi s ASN 47 Cb -0.08 0.32 0.04 0.00 -2.00 0.00 0.00 41.25 39.54 1jzi s ASN 47 CO 0.01 -0.76 -0.14 0.86 -2.94 0.00 0.00 177.10 174.13 1jzi s TRP 48 N -4.03 3.04 -0.05 1.54 -0.00 -1.26 -3.94 118.94 114.24 1jzi s TRP 48 Ca 0.23 -1.92 0.06 0.00 -0.00 0.00 0.00 56.10 54.47 1jzi s TRP 48 Cb 0.07 -1.95 -0.01 0.00 -0.00 0.00 0.00 33.47 31.58 1jzi s TRP 48 CO 0.02 -0.83 -0.22 0.08 -0.00 0.00 0.00 176.95 176.00 1jzi s VAL 49 N 1.22 1.81 -0.05 5.86 1.01 0.15 -0.78 120.40 129.62 1jzi s VAL 49 Ca -0.02 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.08 1jzi s VAL 49 Cb -0.17 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1jzi s VAL 49 CO -0.08 0.51 -0.22 -0.22 0.00 0.00 0.00 175.10 175.09 1jzi s LEU 50 N -0.17 2.26 0.33 3.92 2.96 -0.28 -0.85 118.68 126.86 1jzi s LEU 50 Ca -0.01 -0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 53.31 1jzi s LEU 50 Cb -0.12 -1.42 0.04 0.00 0.50 0.00 0.00 46.19 45.19 1jzi s LEU 50 CO 0.02 0.29 0.76 -0.94 -1.32 0.00 0.00 176.35 175.17 1jzi s SER 51 N -0.44 -0.12 0.71 3.68 1.04 -0.81 -0.67 113.70 117.10 1jzi s SER 51 Ca 0.05 -0.89 -0.13 0.00 0.48 0.00 0.00 55.95 55.46 1jzi s SER 51 Cb -0.12 0.79 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1jzi s SER 51 CO 0.01 -1.52 1.10 0.42 0.98 0.00 0.00 173.24 174.23 1jzi s THR 52 N -3.04 3.33 0.42 2.02 -4.23 -1.26 -0.70 115.64 112.18 1jzi s THR 52 Ca 0.13 0.53 0.08 0.00 -1.18 0.00 0.00 61.69 61.25 1jzi s THR 52 Cb -0.05 -3.04 0.26 0.00 1.34 0.00 0.00 72.50 71.00 1jzi s THR 52 CO 0.09 -0.47 2.05 0.00 -0.54 0.00 0.00 174.62 175.75 1jzi h ALA 53 N -0.49 1.71 -0.44 3.99 0.00 -0.97 -1.91 119.26 121.16 1jzi h ALA 53 Ca -0.45 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1jzi h ALA 53 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1jzi h ALA 53 CO 0.53 0.25 0.01 0.00 0.00 0.00 0.00 179.25 180.05 1jzi h ALA 54 N 1.75 1.20 0.00 0.00 0.00 -1.91 -3.10 119.26 117.20 1jzi h ALA 54 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jzi h ALA 54 Cb -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jzi h ALA 54 CO -0.02 0.53 -0.43 -0.25 0.00 0.00 0.00 179.25 179.08 1jzi n ASP 55 N -4.24 0.47 -0.11 0.00 8.00 -0.76 -4.45 116.55 115.46 1jzi n ASP 55 Ca 0.02 -0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.45 1jzi n ASP 55 Cb 0.27 0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1jzi n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1jzi h MET 56 N 0.00 -0.20 -0.35 -1.24 1.85 -1.37 -1.77 114.93 111.84 1jzi h MET 56 Ca 0.00 0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.17 1jzi h MET 56 Cb 0.56 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.58 1jzi h MET 56 CO 0.00 -0.14 -0.01 0.37 -0.40 0.00 0.00 176.91 176.73 1jzi h GLN 57 N -0.21 0.08 -0.67 0.39 5.75 -1.80 -0.05 115.11 118.60 1jzi h GLN 57 Ca 0.18 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1jzi h GLN 57 Cb 0.50 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1jzi h GLN 57 CO -0.50 0.05 0.37 0.78 -2.65 0.00 0.00 178.83 176.89 1jzi h GLY 58 N 0.08 0.99 1.02 2.39 0.00 -1.75 -0.74 103.07 105.06 1jzi h GLY 58 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1jzi h GLY 58 CO -0.29 0.42 0.25 -2.08 0.00 0.00 0.00 176.54 174.83 1jzi h VAL 59 N 0.91 1.24 -0.38 4.60 2.07 -0.72 -1.26 116.25 122.71 1jzi h VAL 59 Ca 0.24 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1jzi h VAL 59 Cb 0.02 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1jzi h VAL 59 CO -0.04 0.31 0.04 0.58 0.02 0.00 0.00 177.57 178.49 1jzi h VAL 60 N 0.95 1.25 0.13 2.57 2.07 -0.73 -0.35 116.25 122.13 1jzi h VAL 60 Ca 0.22 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1jzi h VAL 60 Cb 0.24 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1jzi h VAL 60 CO -0.01 0.30 -0.06 0.74 0.02 0.00 0.00 177.57 178.56 1jzi h THR 61 N 0.48 0.98 0.00 2.57 2.02 -0.97 -2.31 112.91 115.68 1jzi h THR 61 Ca 0.11 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1jzi h THR 61 Cb 0.39 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1jzi h THR 61 CO 0.01 0.11 0.00 0.44 0.37 0.00 0.00 175.52 176.45 1jzi h ASP 62 N -0.39 0.00 0.07 4.18 3.32 -1.27 -2.76 116.42 119.56 1jzi h ASP 62 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jzi h ASP 62 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1jzi h ASP 62 CO 0.03 0.00 -0.03 1.23 -1.72 0.00 0.00 179.24 178.75 1jzi h GLY 63 N 2.21 -0.09 2.00 2.75 0.00 -0.72 -2.86 103.07 106.35 1jzi h GLY 63 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1jzi h GLY 63 CO 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 176.54 176.25 1jzi h MET 64 N -0.73 0.00 0.00 4.80 -0.00 -1.38 -1.61 114.93 116.01 1jzi h MET 64 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1jzi h MET 64 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.19 1jzi h MET 64 CO 0.01 0.26 -0.07 0.00 -0.00 0.00 0.00 176.91 177.11 1jzi h ALA 65 N 1.74 1.05 -0.00 -3.00 0.00 -1.51 -2.32 119.26 115.23 1jzi h ALA 65 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jzi h ALA 65 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jzi h ALA 65 CO 0.03 0.09 -0.17 0.43 0.00 0.00 0.00 179.25 179.63 1jzi n SER 66 N -3.25 0.32 -0.93 0.00 7.64 -0.61 -5.05 113.62 111.74 1jzi n SER 66 Ca -0.00 -0.14 0.12 0.00 1.01 0.00 0.00 58.87 59.85 1jzi n SER 66 Cb 0.29 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 1jzi n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jzi n GLY 67 N 1.41 -2.28 0.27 0.23 0.00 -0.87 -3.95 105.19 100.00 1jzi n GLY 67 Ca 0.10 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.98 1jzi n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jzi h LEU 68 N -0.88 0.00 0.00 0.99 5.85 -1.91 -2.12 115.31 117.24 1jzi h LEU 68 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1jzi h LEU 68 Cb 0.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1jzi h LEU 68 CO 0.03 0.06 0.00 -0.90 -0.34 0.00 0.00 178.44 177.28 1jzi n ASP 69 N -4.03 0.00 -0.57 1.25 5.75 -1.26 -1.71 116.55 115.98 1jzi n ASP 69 Ca -0.03 -0.41 0.03 0.00 -0.01 0.00 0.00 54.79 54.36 1jzi n ASP 69 Cb 0.14 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.27 1jzi n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jzi n LYS 70 N -0.96 0.29 -1.99 0.11 4.76 -0.84 -4.98 118.16 114.56 1jzi n LYS 70 Ca 0.09 -1.52 -0.16 0.00 -2.87 0.00 0.00 58.31 53.85 1jzi n LYS 70 Cb 0.04 -0.65 -0.04 0.00 -1.84 0.00 0.00 35.03 32.54 1jzi n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jzi n ASP 71 N -0.23 -4.49 -3.17 4.39 9.92 -0.70 -1.68 116.55 120.58 1jzi n ASP 71 Ca 0.04 0.24 -0.23 0.00 -0.53 0.00 0.00 54.79 54.31 1jzi n ASP 71 Cb 0.75 -3.91 0.05 0.00 -0.64 0.00 0.00 41.12 37.37 1jzi n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1jzi n TYR 72 N -2.92 -2.21 -4.12 1.24 4.01 -0.96 -4.78 117.16 107.41 1jzi n TYR 72 Ca -0.18 0.65 -0.20 0.00 -0.16 0.00 0.00 57.90 58.02 1jzi n TYR 72 Cb 0.59 -4.67 -0.16 0.00 -0.31 0.00 0.00 39.34 34.79 1jzi n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jzi s LEU 73 N -6.86 1.29 0.05 7.72 1.43 -0.68 -4.16 118.68 117.47 1jzi s LEU 73 Ca 0.38 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 1jzi s LEU 73 Cb -0.17 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.56 1jzi s LEU 73 CO 0.47 -0.06 1.44 -0.75 0.23 0.00 0.00 176.35 177.68 1jzi s LYS 74 N 0.96 4.28 0.30 1.70 2.20 -1.26 -4.85 119.74 123.08 1jzi s LYS 74 Ca -0.10 2.07 -0.30 0.00 -0.36 0.00 0.00 55.97 57.28 1jzi s LYS 74 Cb -0.14 -3.46 -0.12 0.00 -1.51 0.00 0.00 37.83 32.60 1jzi s LYS 74 CO -0.00 -0.55 1.50 -2.30 -0.36 0.00 0.00 175.35 173.64 1jzi n PRO 75 N 4.89 2.49 -2.61 4.03 -0.02 -1.26 -2.35 135.00 140.16 1jzi n PRO 75 Ca 0.13 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.29 1jzi n PRO 75 Cb 0.43 -2.61 0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1jzi n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jzi n ASP 76 N 1.75 -5.82 -4.55 2.55 -0.08 -1.26 -4.91 116.55 104.22 1jzi n ASP 76 Ca 0.08 -0.12 -0.40 0.00 -1.51 0.00 0.00 54.79 52.84 1jzi n ASP 76 Cb 0.36 -4.77 -0.03 0.00 2.34 0.00 0.00 41.12 39.02 1jzi n ASP 76 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jzi s ASP 77 N -2.34 5.90 0.64 1.67 -1.08 -0.99 -4.84 116.67 115.63 1jzi s ASP 77 Ca 0.11 -0.15 0.34 0.00 -0.52 0.00 0.00 52.55 52.34 1jzi s ASP 77 Cb -0.05 -2.55 1.89 0.00 -1.46 0.00 0.00 42.92 40.75 1jzi s ASP 77 CO 0.14 -1.98 2.13 0.77 0.52 0.00 0.00 175.17 176.74 1jzi h SER 78 N 11.55 0.00 0.83 -0.34 4.64 -1.91 -1.77 113.55 126.55 1jzi h SER 78 Ca -0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1jzi h SER 78 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1jzi h SER 78 CO 1.25 0.00 -0.18 0.03 -0.87 0.00 0.00 176.83 177.06 1jzi h ARG 79 N 0.00 0.00 -6.28 4.77 3.08 -1.98 -3.42 114.38 110.55 1jzi h ARG 79 Ca 0.03 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.53 1jzi h ARG 79 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1jzi h ARG 79 CO -0.00 0.18 0.70 0.08 -1.07 0.00 0.00 179.97 179.87 1jzi s VAL 80 N -3.75 4.36 -0.10 2.04 1.01 -0.67 -4.46 120.40 118.84 1jzi s VAL 80 Ca -0.00 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 1jzi s VAL 80 Cb 0.11 -4.07 -0.28 0.00 0.00 0.00 0.00 36.38 32.14 1jzi s VAL 80 CO 0.62 -0.02 0.56 0.40 0.00 0.00 0.00 175.10 176.65 1jzi h ILE 81 N 5.09 0.99 -2.86 2.22 2.04 -1.17 -3.49 117.51 120.34 1jzi h ILE 81 Ca -0.32 -2.41 0.03 0.00 1.00 0.00 0.00 64.86 63.15 1jzi h ILE 81 Cb 1.15 2.71 -0.11 0.00 -0.74 0.00 0.00 36.82 39.83 1jzi h ILE 81 CO 0.89 0.73 0.27 0.00 0.00 0.00 0.00 178.15 180.04 1jzi s ALA 82 N -2.50 -1.56 -0.06 1.87 0.00 -1.23 -5.02 121.76 113.27 1jzi s ALA 82 Ca -0.19 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 1jzi s ALA 82 Cb 0.05 0.80 0.10 0.00 0.00 0.00 0.00 23.12 24.07 1jzi s ALA 82 CO 0.78 -0.83 0.87 -3.38 0.00 0.00 0.00 175.76 173.20 1jzi s HIS 83 N -3.67 -0.42 0.39 0.00 -3.43 -1.26 -1.13 115.29 105.78 1jzi s HIS 83 Ca 0.04 0.53 0.08 0.00 -0.80 0.00 0.00 55.06 54.91 1jzi s HIS 83 Cb -0.02 0.49 -0.00 0.00 -1.43 0.00 0.00 32.58 31.61 1jzi s HIS 83 CO -0.08 -0.50 0.49 0.95 -2.00 0.00 0.00 174.74 173.60 1jzi s THR 84 N -2.09 3.19 0.90 -5.38 -4.23 0.04 -4.85 115.64 103.23 1jzi s THR 84 Ca -0.01 -1.10 -0.12 0.00 -1.18 0.00 0.00 61.69 59.28 1jzi s THR 84 Cb -0.01 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.87 1jzi s THR 84 CO -0.02 -0.05 1.15 -1.59 -0.54 0.00 0.00 174.62 173.57 1jzi s LYS 85 N -4.24 1.22 -0.21 3.99 -2.85 -1.26 -4.45 119.74 111.94 1jzi s LYS 85 Ca 0.50 0.23 -0.27 0.00 -1.00 0.00 0.00 55.97 55.44 1jzi s LYS 85 Cb -0.08 -1.85 -0.00 0.00 -2.06 0.00 0.00 37.83 33.83 1jzi s LYS 85 CO 0.31 -2.13 0.93 -1.17 0.10 0.00 0.00 175.35 173.39 1jzi s LEU 86 N -5.97 4.12 0.17 2.77 2.96 -1.26 -4.47 118.68 117.01 1jzi s LEU 86 Ca 0.64 1.24 0.10 0.00 -0.22 0.00 0.00 54.13 55.89 1jzi s LEU 86 Cb -0.14 -3.37 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1jzi s LEU 86 CO 0.53 -0.55 -0.17 0.27 -1.32 0.00 0.00 176.35 175.11 1jzi s ILE 87 N 2.78 2.79 0.32 6.68 -4.36 0.49 -4.90 121.20 125.01 1jzi s ILE 87 Ca 0.40 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 59.05 1jzi s ILE 87 Cb -0.16 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.24 1jzi s ILE 87 CO 0.09 -0.07 0.24 0.61 0.24 0.00 0.00 174.94 176.05 1jzi n GLY 88 N 0.29 2.85 3.55 6.27 0.00 -1.26 -1.10 105.19 115.79 1jzi n GLY 88 Ca -0.12 -2.25 -0.52 0.00 0.00 0.00 0.00 46.02 43.13 1jzi n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jzi n SER 89 N -1.92 0.92 0.00 1.61 3.41 -1.18 -1.59 113.62 114.86 1jzi n SER 89 Ca -0.01 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1jzi n SER 89 Cb 0.37 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1jzi n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jzi n GLY 90 N 2.03 2.12 3.95 5.00 0.00 0.59 -4.97 105.19 113.91 1jzi n GLY 90 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1jzi n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jzi s GLU 91 N -0.04 2.35 0.03 1.61 2.02 -0.62 -4.82 118.70 119.23 1jzi s GLU 91 Ca 0.00 -0.53 -0.12 0.00 0.02 0.00 0.00 54.97 54.34 1jzi s GLU 91 Cb 0.00 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.92 1jzi s GLU 91 CO 0.00 -0.99 0.26 -1.59 0.02 0.00 0.00 175.26 172.96 1jzi s LYS 92 N -5.01 0.74 -0.21 1.61 -2.85 -1.26 -1.01 119.74 111.75 1jzi s LYS 92 Ca 0.59 -0.52 -0.22 0.00 -1.00 0.00 0.00 55.97 54.82 1jzi s LYS 92 Cb -0.10 0.32 0.06 0.00 -2.06 0.00 0.00 37.83 36.04 1jzi s LYS 92 CO 0.42 -0.22 0.62 0.34 0.10 0.00 0.00 175.35 176.60 1jzi s ASP 93 N -1.97 -0.63 0.04 0.03 2.15 -0.07 -5.00 116.67 111.22 1jzi s ASP 93 Ca -0.06 1.16 0.08 0.00 0.43 0.00 0.00 52.55 54.16 1jzi s ASP 93 Cb -0.02 1.16 -0.03 0.00 -0.30 0.00 0.00 42.92 43.74 1jzi s ASP 93 CO -0.03 -0.26 -0.23 -0.44 -0.17 0.00 0.00 175.17 174.04 1jzi s SER 94 N 0.13 2.79 -0.01 -0.34 0.01 -1.26 -0.67 113.70 114.34 1jzi s SER 94 Ca -0.02 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1jzi s SER 94 Cb -0.04 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.94 1jzi s SER 94 CO 0.02 0.21 -0.08 0.54 0.41 0.00 0.00 173.24 174.34 1jzi s VAL 95 N -0.79 0.63 -0.10 3.43 0.11 -0.48 -4.96 120.40 118.24 1jzi s VAL 95 Ca 0.09 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1jzi s VAL 95 Cb -0.09 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1jzi s VAL 95 CO 0.02 0.19 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.89 1jzi s THR 96 N -0.06 1.77 0.14 5.04 2.01 -1.26 -0.54 115.64 122.74 1jzi s THR 96 Ca 0.01 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1jzi s THR 96 Cb -0.05 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1jzi s THR 96 CO -0.00 0.49 -0.10 0.72 -0.69 0.00 0.00 174.62 175.04 1jzi s PHE 97 N 0.62 1.23 -0.06 4.92 -0.71 -0.45 -4.96 117.98 118.58 1jzi s PHE 97 Ca -0.13 -0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 54.69 1jzi s PHE 97 Cb -0.16 -0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 40.98 1jzi s PHE 97 CO 0.04 0.06 1.29 -0.51 -1.34 0.00 0.00 175.22 174.76 1jzi s ASP 98 N -3.14 6.96 0.46 1.98 1.11 -1.26 -1.39 116.67 121.39 1jzi s ASP 98 Ca 0.16 1.90 0.32 0.00 0.18 0.00 0.00 52.55 55.11 1jzi s ASP 98 Cb 0.03 -2.55 1.47 0.00 1.07 0.00 0.00 42.92 42.93 1jzi s ASP 98 CO 0.00 -0.67 1.95 0.58 1.18 0.00 0.00 175.17 178.21 1jzi h VAL 99 N 5.08 0.00 0.00 -1.27 2.07 -1.50 -2.17 116.25 118.46 1jzi h VAL 99 Ca -0.34 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1jzi h VAL 99 Cb 1.16 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1jzi h VAL 99 CO 0.90 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.95 1jzi n SER 100 N -2.73 0.14 -0.02 0.57 3.41 -1.26 -0.88 113.62 112.86 1jzi n SER 100 Ca -0.00 0.55 0.15 0.00 -0.26 0.00 0.00 58.87 59.31 1jzi n SER 100 Cb 0.19 -0.57 0.77 0.00 -0.26 0.00 0.00 64.21 64.34 1jzi n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jzi n LYS 101 N -1.67 0.59 -4.32 4.33 5.02 -0.82 -4.80 118.16 116.48 1jzi n LYS 101 Ca 0.02 -0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 1jzi n LYS 101 Cb 0.10 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 1jzi n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jzi s LEU 102 N -2.44 2.73 0.04 -0.35 1.43 -0.05 -5.11 118.68 114.92 1jzi s LEU 102 Ca 0.33 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1jzi s LEU 102 Cb 0.21 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1jzi s LEU 102 CO 0.44 0.14 -0.11 -1.59 0.23 0.00 0.00 176.35 175.47 1jzi s LYS 103 N -2.45 0.68 0.59 1.70 -2.85 -1.26 -5.03 119.74 111.11 1jzi s LYS 103 Ca 0.21 -0.74 -0.19 0.00 -1.00 0.00 0.00 55.97 54.24 1jzi s LYS 103 Cb -0.09 -0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 35.05 1jzi s LYS 103 CO 0.12 0.13 1.27 -1.21 0.10 0.00 0.00 175.35 175.75 1jzi s GLU 104 N -1.34 2.93 0.00 1.78 2.02 -1.26 -3.18 118.70 119.65 1jzi s GLU 104 Ca -0.04 1.99 0.00 0.00 0.02 0.00 0.00 54.97 56.94 1jzi s GLU 104 Cb -0.09 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1jzi s GLU 104 CO 0.01 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.42 1jzi n GLY 105 N 0.68 1.21 3.70 -1.39 0.00 -1.26 -5.02 105.19 103.10 1jzi n GLY 105 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1jzi n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jzi s GLU 106 N -0.03 3.18 -0.20 1.61 2.12 -1.19 -5.09 118.70 119.11 1jzi s GLU 106 Ca 0.00 -0.36 -0.24 0.00 0.36 0.00 0.00 54.97 54.73 1jzi s GLU 106 Cb 0.00 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.47 1jzi s GLU 106 CO 0.00 0.65 0.77 -0.65 -0.54 0.00 0.00 175.26 175.49 1jzi s GLN 107 N -0.73 4.24 0.23 4.30 -0.21 -1.26 -4.67 119.66 121.57 1jzi s GLN 107 Ca 0.12 0.88 0.10 0.00 0.02 0.00 0.00 55.36 56.47 1jzi s GLN 107 Cb -0.12 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.25 1jzi s GLN 107 CO 0.02 -0.36 -0.12 0.71 -2.12 0.00 0.00 175.29 173.43 1jzi s TYR 108 N 2.27 2.52 -0.00 0.91 2.02 -0.84 -0.38 117.35 123.84 1jzi s TYR 108 Ca 0.34 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 1jzi s TYR 108 Cb -0.16 -1.16 -0.00 0.00 -0.40 0.00 0.00 41.96 40.23 1jzi s TYR 108 CO 0.10 0.60 -0.04 -1.64 -1.57 0.00 0.00 175.55 173.00 1jzi s MET 109 N -3.23 0.33 0.04 -0.62 -1.94 0.12 -1.66 119.30 112.34 1jzi s MET 109 Ca 0.28 -0.17 0.04 0.00 -1.71 0.00 0.00 55.69 54.13 1jzi s MET 109 Cb -0.07 -0.31 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 1jzi s MET 109 CO 0.16 0.08 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.60 1jzi s PHE 110 N -0.16 2.88 0.16 -0.03 -0.71 -0.17 -1.92 117.98 118.03 1jzi s PHE 110 Ca 0.01 -0.06 -0.24 0.00 -1.04 0.00 0.00 56.93 55.60 1jzi s PHE 110 Cb -0.02 -1.56 0.06 0.00 -1.21 0.00 0.00 43.02 40.29 1jzi s PHE 110 CO -0.00 0.41 0.87 -0.59 -1.34 0.00 0.00 175.22 174.57 1jzi s PHE 111 N -1.11 -0.20 -0.15 3.49 -0.71 -0.03 -0.99 117.98 118.27 1jzi s PHE 111 Ca 0.20 -0.11 -0.06 0.00 -1.04 0.00 0.00 56.93 55.92 1jzi s PHE 111 Cb -0.11 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 1jzi s PHE 111 CO 0.11 -0.88 0.07 0.00 -1.34 0.00 0.00 175.22 173.18 1jzi n THR 113 N 2.95 0.27 -1.89 0.00 -2.24 -1.26 -3.32 114.28 108.79 1jzi n THR 113 Ca -0.18 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 1jzi n THR 113 Cb 0.53 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 1jzi n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jzi s PHE 114 N -1.73 2.96 -0.44 4.78 2.19 -1.26 -4.39 117.98 120.08 1jzi s PHE 114 Ca 0.35 0.53 -0.41 0.00 0.33 0.00 0.00 56.93 57.73 1jzi s PHE 114 Cb 0.20 -3.98 -0.17 0.00 -1.31 0.00 0.00 43.02 37.76 1jzi s PHE 114 CO 0.30 -3.67 1.60 -2.30 1.83 0.00 0.00 175.22 172.98 1jzi n PRO 115 N 4.15 0.00 0.00 10.12 -0.02 -1.26 -1.09 135.00 146.90 1jzi n PRO 115 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1jzi n PRO 115 Cb 0.38 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1jzi n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jzi n GLY 116 N 4.70 3.02 0.32 -1.23 0.00 -1.26 -4.91 105.19 105.83 1jzi n GLY 116 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 1jzi n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jzi h HIS 117 N 0.00 1.00 0.00 1.61 3.86 -1.38 -2.88 115.15 117.36 1jzi h HIS 117 Ca 0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1jzi h HIS 117 Cb 0.00 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.17 1jzi h HIS 117 CO 0.00 0.79 0.00 -1.13 0.86 0.00 0.00 177.93 178.45 1jzi n SER 118 N -4.28 0.35 -0.03 2.45 3.41 -1.21 -0.15 113.62 114.15 1jzi n SER 118 Ca 0.05 0.66 0.06 0.00 -0.26 0.00 0.00 58.87 59.38 1jzi n SER 118 Cb 0.20 -0.70 0.43 0.00 -0.26 0.00 0.00 64.21 63.88 1jzi n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jzi h ALA 119 N 1.99 1.76 0.00 7.33 0.00 -1.86 -3.32 119.26 125.16 1jzi h ALA 119 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jzi h ALA 119 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jzi h ALA 119 CO 0.00 0.19 -1.15 1.28 0.00 0.00 0.00 179.25 179.57 1jzi n LEU 120 N -4.47 2.06 -4.32 0.00 4.32 -0.52 -4.91 117.00 109.17 1jzi n LEU 120 Ca 0.05 -0.01 -0.43 0.00 -0.02 0.00 0.00 56.01 55.60 1jzi n LEU 120 Cb 0.13 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1jzi n LEU 120 CO 0.35 0.39 1.77 0.23 -1.22 0.00 0.00 177.39 178.91 1jzi n MET 121 N -2.42 3.32 -3.59 3.23 2.81 0.78 -4.72 117.12 116.53 1jzi n MET 121 Ca -0.04 -3.53 -0.16 0.00 -1.81 0.00 0.00 57.70 52.16 1jzi n MET 121 Cb 0.56 -3.17 -0.07 0.00 -0.71 0.00 0.00 33.22 29.83 1jzi n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1jzi s LYS 122 N 2.21 0.95 0.30 0.03 -2.85 -1.26 -2.28 119.74 116.84 1jzi s LYS 122 Ca 0.46 0.09 -0.16 0.00 -1.00 0.00 0.00 55.97 55.35 1jzi s LYS 122 Cb 0.03 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1jzi s LYS 122 CO 0.01 -0.30 0.65 0.20 0.10 0.00 0.00 175.35 176.02 1jzi s GLY 123 N -1.30 0.29 0.21 0.59 0.00 -0.16 -4.84 107.32 102.10 1jzi s GLY 123 Ca -0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.94 1jzi s GLY 123 CO 0.07 -0.35 0.43 -0.51 0.00 0.00 0.00 173.10 172.75 1jzi s THR 124 N -3.58 5.14 -0.08 0.90 -4.23 0.06 -1.00 115.64 112.85 1jzi s THR 124 Ca 0.16 -0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1jzi s THR 124 Cb -0.04 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.14 1jzi s THR 124 CO 0.09 -0.16 0.20 -0.22 -0.54 0.00 0.00 174.62 174.00 1jzi s LEU 125 N -3.20 0.72 0.03 4.79 0.20 -0.67 -0.53 118.68 120.02 1jzi s LEU 125 Ca 0.41 0.42 -0.01 0.00 0.69 0.00 0.00 54.13 55.64 1jzi s LEU 125 Cb -0.11 0.60 -0.03 0.00 -0.43 0.00 0.00 46.19 46.22 1jzi s LEU 125 CO 0.28 -0.14 -0.02 0.42 -0.29 0.00 0.00 176.35 176.60 1jzi s THR 126 N 0.95 0.16 -0.24 3.68 -4.23 -0.99 -1.99 115.64 112.99 1jzi s THR 126 Ca -0.07 -1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.01 1jzi s THR 126 Cb -0.09 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 1jzi s THR 126 CO -0.06 -0.72 0.26 -0.22 -0.54 0.00 0.00 174.62 173.34 1jzi s LEU 127 N -2.12 4.10 0.00 4.79 2.96 -1.26 -0.93 118.68 126.22 1jzi s LEU 127 Ca -0.05 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1jzi s LEU 127 Cb -0.02 -2.26 0.00 0.00 0.50 0.00 0.00 46.19 44.41 1jzi s LEU 127 CO -0.05 -0.03 0.00 1.17 -1.32 0.00 0.00 176.35 176.12