#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2clz s GLN 2 N 0.00 4.41 -0.17 0.38 -0.21 -1.26 -4.92 119.66 117.89 2clz s GLN 2 Ca 0.00 0.98 -0.05 0.00 0.02 0.00 0.00 55.36 56.32 2clz s GLN 2 Cb 0.00 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 2clz s GLN 2 CO 0.00 0.59 -0.01 0.15 -2.12 0.00 0.00 175.29 173.90 2clz s LYS 3 N -1.17 3.72 -0.08 2.91 3.01 -0.09 -4.95 119.74 123.09 2clz s LYS 3 Ca 0.33 -0.49 -0.30 0.00 -1.01 0.00 0.00 55.97 54.51 2clz s LYS 3 Cb -0.21 -2.99 -0.02 0.00 -1.01 0.00 0.00 37.83 33.59 2clz s LYS 3 CO 0.23 0.21 1.07 -0.08 0.51 0.00 0.00 175.35 177.30 2clz s THR 4 N 0.45 4.60 0.34 2.17 -1.32 -1.25 -2.32 115.64 118.31 2clz s THR 4 Ca -0.02 1.88 -0.29 0.00 -1.21 0.00 0.00 61.69 62.05 2clz s THR 4 Cb -0.14 -4.21 -0.11 0.00 -1.51 0.00 0.00 72.50 66.53 2clz s THR 4 CO 0.02 0.02 1.55 -0.81 -2.21 0.00 0.00 174.62 173.19 2clz n PRO 5 N 4.94 2.72 -3.68 7.08 -0.04 -1.26 -4.56 135.00 140.21 2clz n PRO 5 Ca 0.09 0.96 -0.36 0.00 -0.04 0.00 0.00 63.50 64.15 2clz n PRO 5 Cb 0.48 -2.72 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 2clz n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2clz s GLN 6 N -1.34 3.68 -0.04 0.54 -1.52 0.62 -4.93 119.66 116.66 2clz s GLN 6 Ca 0.58 0.09 0.03 0.00 -1.95 0.00 0.00 55.36 54.12 2clz s GLN 6 Cb -0.48 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.20 2clz s GLN 6 CO 0.56 0.66 -0.14 0.42 -0.25 0.00 0.00 175.29 176.55 2clz s ILE 7 N -1.22 1.15 -0.05 1.08 1.01 -1.26 -1.17 121.20 120.74 2clz s ILE 7 Ca 0.26 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2clz s ILE 7 Cb -0.14 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.33 2clz s ILE 7 CO 0.14 0.34 -0.14 -1.10 0.00 0.00 0.00 174.94 174.19 2clz s GLN 8 N 0.14 1.65 -0.14 2.79 -0.21 -0.42 -4.99 119.66 118.48 2clz s GLN 8 Ca -0.04 -0.47 0.01 0.00 0.02 0.00 0.00 55.36 54.88 2clz s GLN 8 Cb -0.11 -1.40 -0.00 0.00 1.00 0.00 0.00 33.01 32.50 2clz s GLN 8 CO 0.02 0.11 -0.16 0.08 -2.12 0.00 0.00 175.29 173.21 2clz s VAL 9 N 0.39 2.67 -0.05 1.09 1.01 -1.26 -0.36 120.40 123.89 2clz s VAL 9 Ca -0.10 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2clz s VAL 9 Cb -0.13 -2.11 0.11 0.00 0.00 0.00 0.00 36.38 34.24 2clz s VAL 9 CO 0.03 0.52 0.92 -0.72 0.00 0.00 0.00 175.10 175.86 2clz s TYR 10 N 0.63 -0.34 0.33 5.22 -0.85 -0.76 -4.51 117.35 117.06 2clz s TYR 10 Ca -0.09 0.29 -0.08 0.00 -0.52 0.00 0.00 57.07 56.68 2clz s TYR 10 Cb -0.16 0.52 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 2clz s TYR 10 CO 0.03 -0.49 0.63 -1.54 -1.52 0.00 0.00 175.55 172.66 2clz s SER 11 N -2.20 6.50 0.11 -0.18 1.04 -1.26 0.06 113.70 117.77 2clz s SER 11 Ca 0.04 0.89 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 2clz s SER 11 Cb -0.01 -2.22 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 2clz s SER 11 CO -0.07 -0.26 1.43 -0.09 0.98 0.00 0.00 173.24 175.23 2clz h ARG 12 N 1.62 0.78 -6.39 4.02 2.43 -1.33 -3.45 114.38 112.05 2clz h ARG 12 Ca -0.47 -0.43 -0.61 0.00 -0.81 0.00 0.00 59.98 57.65 2clz h ARG 12 Cb 1.19 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.63 2clz h ARG 12 CO 0.65 1.06 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.45 2clz s HIS 13 N -4.32 2.61 0.19 2.20 3.76 -1.26 -5.05 115.29 113.42 2clz s HIS 13 Ca -0.12 -0.23 -0.33 0.00 -0.15 0.00 0.00 55.06 54.23 2clz s HIS 13 Cb 0.09 -1.25 -0.14 0.00 1.11 0.00 0.00 32.58 32.40 2clz s HIS 13 CO 0.85 0.54 1.47 -2.30 -0.85 0.00 0.00 174.74 174.46 2clz n PRO 14 N -0.15 2.00 -2.32 8.40 -0.02 -1.26 -4.87 135.00 136.78 2clz n PRO 14 Ca -0.10 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 2clz n PRO 14 Cb 0.56 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 2clz n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2clz s PRO 15 N 0.26 4.44 -0.08 0.52 0.04 -1.26 -5.03 135.00 133.89 2clz s PRO 15 Ca 0.74 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2clz s PRO 15 Cb -0.69 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 30.64 2clz s PRO 15 CO 0.44 -0.18 -0.07 -2.00 0.04 0.00 0.00 177.00 175.23 2clz s GLU 16 N 0.01 1.33 0.11 4.56 2.12 -1.26 -5.11 118.70 120.46 2clz s GLU 16 Ca 0.55 -0.22 -0.35 0.00 0.36 0.00 0.00 54.97 55.31 2clz s GLU 16 Cb -0.34 -1.33 -0.15 0.00 0.26 0.00 0.00 34.13 32.57 2clz s GLU 16 CO 0.36 -0.16 1.53 0.09 -0.54 0.00 0.00 175.26 176.53 2clz n ASN 17 N 4.53 2.65 0.00 -1.70 5.03 -1.26 -1.45 115.26 123.06 2clz n ASN 17 Ca -0.17 1.09 0.00 0.00 0.87 0.00 0.00 54.58 56.37 2clz n ASN 17 Cb 0.51 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 37.92 2clz n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2clz n GLY 18 N 3.22 0.90 3.39 7.41 0.00 -0.18 -5.01 105.19 114.93 2clz n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2clz n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2clz s LYS 19 N -0.18 3.50 0.30 1.61 -0.14 -0.53 -4.99 119.74 119.31 2clz s LYS 19 Ca 0.00 -0.59 -0.28 0.00 -1.36 0.00 0.00 55.97 53.74 2clz s LYS 19 Cb 0.00 -2.95 -0.14 0.00 -1.68 0.00 0.00 37.83 33.06 2clz s LYS 19 CO 0.00 0.00 1.05 -2.30 -0.76 0.00 0.00 175.35 173.34 2clz n PRO 20 N 4.23 1.46 -2.70 -1.68 -0.02 -1.26 -4.23 135.00 130.81 2clz n PRO 20 Ca -0.18 0.51 -0.07 0.00 -2.02 0.00 0.00 63.50 61.75 2clz n PRO 20 Cb 0.52 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.07 2clz n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2clz n ASN 21 N 1.13 -0.76 -4.02 2.55 4.05 0.12 -4.97 115.26 113.35 2clz n ASN 21 Ca 0.09 -1.91 -0.24 0.00 0.45 0.00 0.00 54.58 52.96 2clz n ASN 21 Cb 0.33 1.37 -0.16 0.00 1.23 0.00 0.00 39.78 42.55 2clz n ASN 21 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2clz s ILE 22 N -2.61 1.10 -0.21 -1.44 -1.09 -1.26 -1.63 121.20 114.06 2clz s ILE 22 Ca 0.13 -0.47 -0.10 0.00 -2.23 0.00 0.00 60.65 57.99 2clz s ILE 22 Cb -0.01 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.82 2clz s ILE 22 CO 0.10 0.34 0.13 -0.22 -1.23 0.00 0.00 174.94 174.06 2clz s LEU 23 N 0.60 4.13 0.05 2.97 2.96 0.25 -0.76 118.68 128.88 2clz s LEU 23 Ca -0.13 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2clz s LEU 23 Cb -0.15 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2clz s LEU 23 CO 0.03 0.14 0.02 0.20 -1.32 0.00 0.00 176.35 175.42 2clz s ASN 24 N 0.59 5.20 -0.28 3.68 0.02 0.11 -1.59 114.94 122.67 2clz s ASN 24 Ca 0.07 -0.06 -0.01 0.00 -1.02 0.00 0.00 52.86 51.85 2clz s ASN 24 Cb -0.12 -1.33 0.09 0.00 0.02 0.00 0.00 41.25 39.91 2clz s ASN 24 CO 0.00 0.22 0.07 0.00 0.02 0.00 0.00 177.10 177.41 2clz s TYR 26 N 1.60 3.27 -0.14 0.00 5.04 0.51 -1.25 117.35 126.38 2clz s TYR 26 Ca 0.06 0.42 0.02 0.00 -2.44 0.00 0.00 57.07 55.13 2clz s TYR 26 Cb -0.17 -2.54 0.01 0.00 0.35 0.00 0.00 41.96 39.61 2clz s TYR 26 CO -0.19 -0.17 -0.20 0.08 -1.34 0.00 0.00 175.55 173.73 2clz s VAL 27 N 1.87 1.90 0.26 3.14 1.01 -0.13 -1.30 120.40 127.15 2clz s VAL 27 Ca 0.15 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2clz s VAL 27 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2clz s VAL 27 CO 0.09 0.52 0.09 0.42 0.00 0.00 0.00 175.10 176.22 2clz s THR 28 N 0.93 0.58 -1.34 3.92 -4.23 -0.31 -0.98 115.64 114.21 2clz s THR 28 Ca -0.05 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 2clz s THR 28 Cb -0.15 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2clz s THR 28 CO -0.03 -0.02 0.11 0.00 -0.54 0.00 0.00 174.62 174.13 2clz n GLN 29 N -0.46 -1.88 -4.22 3.99 1.13 -0.86 -0.28 117.38 114.81 2clz n GLN 29 Ca -0.00 0.76 -0.28 0.00 -1.94 0.00 0.00 57.00 55.54 2clz n GLN 29 Cb 0.66 -5.17 -0.09 0.00 0.11 0.00 0.00 30.24 25.75 2clz n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2clz s PHE 30 N -2.86 2.78 -0.29 1.08 -0.71 -1.17 -3.88 117.98 112.94 2clz s PHE 30 Ca 0.06 -0.14 -0.14 0.00 -1.04 0.00 0.00 56.93 55.66 2clz s PHE 30 Cb -0.02 -1.41 0.13 0.00 -1.21 0.00 0.00 43.02 40.51 2clz s PHE 30 CO 0.07 0.47 0.84 -1.58 -1.34 0.00 0.00 175.22 173.68 2clz s HIS 31 N -1.45 -0.90 0.91 3.49 2.46 -0.98 -0.69 115.29 118.12 2clz s HIS 31 Ca 0.24 1.66 -0.11 0.00 0.47 0.00 0.00 55.06 57.32 2clz s HIS 31 Cb -0.10 0.54 0.14 0.00 -0.13 0.00 0.00 32.58 33.02 2clz s HIS 31 CO 0.16 -0.45 1.09 -1.25 -2.47 0.00 0.00 174.74 171.83 2clz s PRO 32 N 2.09 1.13 0.55 2.88 0.04 -1.26 -0.91 135.00 139.52 2clz s PRO 32 Ca -0.07 0.98 0.31 0.00 0.04 0.00 0.00 61.00 62.26 2clz s PRO 32 Cb -0.07 -1.78 1.57 0.00 0.04 0.00 0.00 34.50 34.26 2clz s PRO 32 CO -0.18 -2.37 2.09 -1.00 0.04 0.00 0.00 177.00 175.59 2clz h PRO 33 N -1.65 0.00 -6.37 0.56 0.13 -1.98 -3.43 132.00 119.25 2clz h PRO 33 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 2clz h PRO 33 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 2clz h PRO 33 CO 0.52 0.08 1.15 -1.58 -0.23 0.00 0.00 178.00 177.94 2clz s HIS 34 N -4.08 1.75 -0.02 1.56 5.65 -1.26 -4.97 115.29 113.91 2clz s HIS 34 Ca -0.02 -0.12 -0.12 0.00 0.25 0.00 0.00 55.06 55.04 2clz s HIS 34 Cb 0.12 -4.12 0.02 0.00 -1.18 0.00 0.00 32.58 27.42 2clz s HIS 34 CO 0.55 -4.81 0.25 -1.50 -0.65 0.00 0.00 174.74 168.59 2clz s ILE 35 N 3.82 0.06 -0.14 0.89 2.07 -1.26 -4.61 121.20 122.02 2clz s ILE 35 Ca 0.82 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 59.61 2clz s ILE 35 Cb -0.41 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 41.67 2clz s ILE 35 CO 0.37 -0.25 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.34 2clz s GLU 36 N -1.10 2.72 -0.12 3.50 2.02 -0.16 -5.00 118.70 120.56 2clz s GLU 36 Ca -0.12 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.15 2clz s GLU 36 Cb -0.05 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.92 2clz s GLU 36 CO 0.03 -0.07 -0.19 0.42 0.02 0.00 0.00 175.26 175.47 2clz s ILE 37 N 0.98 1.78 0.12 -1.63 1.01 -1.26 -0.26 121.20 121.95 2clz s ILE 37 Ca -0.04 -0.81 0.11 0.00 0.00 0.00 0.00 60.65 59.90 2clz s ILE 37 Cb -0.15 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2clz s ILE 37 CO -0.04 0.50 -0.26 -1.10 0.00 0.00 0.00 174.94 174.03 2clz s GLN 38 N 0.89 1.46 -0.06 2.79 -0.21 0.45 -4.98 119.66 120.00 2clz s GLN 38 Ca -0.07 -1.32 0.04 0.00 0.02 0.00 0.00 55.36 54.03 2clz s GLN 38 Cb -0.15 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.91 2clz s GLN 38 CO -0.01 0.46 -0.15 -1.64 -2.12 0.00 0.00 175.29 171.82 2clz s MET 39 N -1.99 2.57 -0.05 2.91 -1.94 -1.26 -0.05 119.30 119.48 2clz s MET 39 Ca 0.14 -0.72 0.05 0.00 -1.71 0.00 0.00 55.69 53.46 2clz s MET 39 Cb -0.10 -2.37 -0.01 0.00 2.01 0.00 0.00 34.83 34.36 2clz s MET 39 CO 0.06 0.57 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.90 2clz s LEU 40 N -0.59 2.02 -0.25 -0.03 2.01 0.33 -0.21 118.68 121.96 2clz s LEU 40 Ca 0.09 -0.46 -0.03 0.00 0.01 0.00 0.00 54.13 53.74 2clz s LEU 40 Cb -0.11 -1.24 0.02 0.00 0.01 0.00 0.00 46.19 44.86 2clz s LEU 40 CO 0.01 0.21 -0.04 -0.75 1.01 0.00 0.00 176.35 176.79 2clz s LYS 41 N -0.09 2.99 -1.51 1.70 2.20 0.20 -1.67 119.74 123.56 2clz s LYS 41 Ca -0.04 -0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 54.57 2clz s LYS 41 Cb -0.13 -3.03 0.07 0.00 -1.51 0.00 0.00 37.83 33.23 2clz s LYS 41 CO 0.03 -0.36 0.95 0.09 -0.36 0.00 0.00 175.35 175.71 2clz n ASN 42 N 4.72 -4.37 0.00 1.43 3.02 0.30 -1.46 115.26 118.90 2clz n ASN 42 Ca -0.17 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2clz n ASN 42 Cb 0.48 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 2clz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2clz n GLY 43 N -1.69 1.32 3.49 7.41 0.00 -1.26 -5.03 105.19 109.43 2clz n GLY 43 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2clz n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2clz s LYS 44 N -0.18 3.31 0.14 1.61 -0.14 -0.54 -5.03 119.74 118.92 2clz s LYS 44 Ca 0.00 -0.58 -0.34 0.00 -1.36 0.00 0.00 55.97 53.69 2clz s LYS 44 Cb 0.00 -2.73 -0.14 0.00 -1.68 0.00 0.00 37.83 33.27 2clz s LYS 44 CO 0.00 0.36 1.54 1.17 -0.76 0.00 0.00 175.35 177.66 2clz n LYS 45 N 3.14 1.96 -2.94 1.68 4.81 -1.26 -0.63 118.16 124.91 2clz n LYS 45 Ca -0.18 0.71 -0.41 0.00 -0.87 0.00 0.00 58.31 57.56 2clz n LYS 45 Cb 0.53 -2.45 -0.05 0.00 0.02 0.00 0.00 35.03 33.08 2clz n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2clz s ILE 46 N 0.86 4.90 0.13 3.15 1.01 0.71 -4.82 121.20 127.14 2clz s ILE 46 Ca 0.80 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 62.84 2clz s ILE 46 Cb -0.73 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 37.58 2clz s ILE 46 CO 0.40 0.01 1.44 -0.65 0.00 0.00 0.00 174.94 176.13 2clz h PRO 47 N 7.50 0.87 -3.67 2.79 0.11 -1.93 -3.40 132.00 134.27 2clz h PRO 47 Ca -0.27 -0.49 -0.79 0.00 0.11 0.00 0.00 66.00 64.55 2clz h PRO 47 Cb 1.12 0.03 -0.27 0.00 0.11 0.00 0.00 31.00 31.99 2clz h PRO 47 CO 0.83 1.14 0.29 0.21 -0.21 0.00 0.00 178.00 180.26 2clz s LYS 48 N -4.29 3.92 -0.20 1.05 2.47 -1.26 -4.99 119.74 116.44 2clz s LYS 48 Ca -0.11 -2.91 -0.00 0.00 -1.56 0.00 0.00 55.97 51.39 2clz s LYS 48 Cb 0.10 -4.48 0.02 0.00 -1.46 0.00 0.00 37.83 32.01 2clz s LYS 48 CO 0.88 -1.26 -0.14 0.08 0.16 0.00 0.00 175.35 175.06 2clz s VAL 49 N -0.68 2.44 0.20 4.02 1.01 -1.26 -4.62 120.40 121.52 2clz s VAL 49 Ca 0.25 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2clz s VAL 49 Cb -0.10 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2clz s VAL 49 CO -0.08 0.44 0.55 -1.61 0.00 0.00 0.00 175.10 174.39 2clz s GLU 50 N 1.32 3.87 -0.08 2.72 2.02 0.16 -4.90 118.70 123.81 2clz s GLU 50 Ca 0.04 0.35 0.04 0.00 0.02 0.00 0.00 54.97 55.42 2clz s GLU 50 Cb -0.14 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.33 2clz s GLU 50 CO -0.09 0.38 -0.21 -1.64 0.02 0.00 0.00 175.26 173.72 2clz s MET 51 N -2.48 2.58 0.93 1.61 -1.94 -1.26 -0.77 119.30 117.97 2clz s MET 51 Ca 0.44 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.55 2clz s MET 51 Cb -0.13 -2.02 0.15 0.00 2.01 0.00 0.00 34.83 34.84 2clz s MET 51 CO 0.20 0.17 1.09 -1.54 -0.01 0.00 0.00 175.02 174.93 2clz s SER 52 N 0.34 3.10 0.67 3.03 1.04 0.61 -5.01 113.70 117.48 2clz s SER 52 Ca -0.15 1.60 -0.16 0.00 0.48 0.00 0.00 55.95 57.72 2clz s SER 52 Cb -0.17 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.70 2clz s SER 52 CO 0.07 -2.89 1.20 -1.81 0.98 0.00 0.00 173.24 170.78 2clz s ASP 53 N -3.19 4.67 0.09 7.02 1.01 -1.26 -4.75 116.67 120.26 2clz s ASP 53 Ca 0.64 2.32 -0.17 0.00 0.71 0.00 0.00 52.55 56.06 2clz s ASP 53 Cb -0.20 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.08 2clz s ASP 53 CO 0.58 -1.94 0.54 -0.32 0.21 0.00 0.00 175.17 174.24 2clz s MET 54 N -3.73 4.07 0.24 8.23 1.75 -1.26 -4.77 119.30 123.83 2clz s MET 54 Ca 0.75 0.59 0.03 0.00 -1.25 0.00 0.00 55.69 55.80 2clz s MET 54 Cb -0.29 -3.12 -0.05 0.00 2.84 0.00 0.00 34.83 34.21 2clz s MET 54 CO 0.40 0.59 0.04 -1.12 -0.65 0.00 0.00 175.02 174.28 2clz s SER 55 N -1.34 1.58 0.13 1.11 0.01 -1.10 -5.02 113.70 109.08 2clz s SER 55 Ca 0.31 -1.29 0.03 0.00 1.31 0.00 0.00 55.95 56.32 2clz s SER 55 Cb -0.17 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 2clz s SER 55 CO 0.18 -0.61 -0.08 0.72 0.41 0.00 0.00 173.24 173.86 2clz s PHE 56 N -3.55 1.13 0.45 2.43 -0.12 -1.26 -1.16 117.98 115.90 2clz s PHE 56 Ca 0.32 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 2clz s PHE 56 Cb 0.07 -0.60 0.01 0.00 -0.63 0.00 0.00 43.02 41.87 2clz s PHE 56 CO 0.10 -0.01 0.53 -1.12 -0.05 0.00 0.00 175.22 174.67 2clz s SER 57 N -3.13 5.29 0.57 1.98 0.01 0.21 -4.97 113.70 113.67 2clz s SER 57 Ca 0.15 -0.66 0.38 0.00 1.31 0.00 0.00 55.95 57.14 2clz s SER 57 Cb 0.04 -0.41 2.04 0.00 0.21 0.00 0.00 66.02 67.90 2clz s SER 57 CO -0.01 -0.84 2.17 0.50 0.41 0.00 0.00 173.24 175.47 2clz h LYS 58 N 0.71 0.00 -0.18 12.44 3.64 -2.03 0.28 116.57 131.44 2clz h LYS 58 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2clz h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2clz h LYS 58 CO 0.49 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.27 2clz n ASP 59 N -2.88 1.16 0.00 4.20 5.68 -1.26 -4.92 116.55 118.53 2clz n ASP 59 Ca -0.02 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 2clz n ASP 59 Cb 0.09 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2clz n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2clz n TRP 60 N 0.06 0.00 -2.64 2.11 7.02 1.00 -5.02 117.44 119.97 2clz n TRP 60 Ca 0.11 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.26 2clz n TRP 60 Cb 0.21 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.05 2clz n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2clz s SER 61 N -3.66 6.79 0.32 -0.99 1.04 -1.26 -4.68 113.70 111.27 2clz s SER 61 Ca 0.00 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.09 2clz s SER 61 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2clz s SER 61 CO 0.00 -0.46 0.51 -0.36 0.98 0.00 0.00 173.24 173.90 2clz s PHE 62 N -2.35 3.49 0.04 5.02 0.40 0.13 -0.62 117.98 124.08 2clz s PHE 62 Ca 0.61 0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 57.13 2clz s PHE 62 Cb -0.10 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.60 2clz s PHE 62 CO 0.21 0.19 0.23 1.52 0.70 0.00 0.00 175.22 178.06 2clz s TYR 63 N -2.23 0.00 -0.09 0.36 -0.85 -0.31 -2.02 117.35 112.22 2clz s TYR 63 Ca 0.39 -0.18 -0.30 0.00 -0.52 0.00 0.00 57.07 56.46 2clz s TYR 63 Cb -0.10 0.01 0.08 0.00 0.38 0.00 0.00 41.96 42.33 2clz s TYR 63 CO 0.34 -0.44 0.72 -1.50 -1.52 0.00 0.00 175.55 173.15 2clz s ILE 64 N -2.46 0.00 -0.17 -3.49 2.07 -0.15 -2.72 121.20 114.28 2clz s ILE 64 Ca -0.06 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 2clz s ILE 64 Cb -0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.59 2clz s ILE 64 CO -0.03 0.00 -0.19 -0.22 -1.91 0.00 0.00 174.94 172.59 2clz s LEU 65 N -0.94 2.22 -0.04 8.50 2.96 -1.26 -0.95 118.68 129.17 2clz s LEU 65 Ca -0.08 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 2clz s LEU 65 Cb -0.01 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2clz s LEU 65 CO 0.08 0.02 0.16 0.00 -1.32 0.00 0.00 176.35 175.29 2clz s ALA 66 N 1.16 3.89 0.01 5.97 0.00 -0.38 -0.28 121.76 132.13 2clz s ALA 66 Ca 0.01 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 2clz s ALA 66 Cb -0.14 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.14 2clz s ALA 66 CO -0.09 0.71 0.38 -3.38 0.00 0.00 0.00 175.76 173.38 2clz s HIS 67 N -1.23 -0.25 0.00 0.00 -3.43 0.05 -0.31 115.29 110.12 2clz s HIS 67 Ca 0.23 0.31 -0.09 0.00 -0.80 0.00 0.00 55.06 54.71 2clz s HIS 67 Cb -0.12 0.17 0.01 0.00 -1.43 0.00 0.00 32.58 31.20 2clz s HIS 67 CO 0.14 -0.48 0.18 -0.08 -2.00 0.00 0.00 174.74 172.50 2clz s THR 68 N -1.80 0.08 0.26 -5.38 -1.32 -0.62 -0.66 115.64 106.19 2clz s THR 68 Ca -0.10 -0.65 -0.29 0.00 -1.21 0.00 0.00 61.69 59.43 2clz s THR 68 Cb -0.03 -0.51 -0.09 0.00 -1.51 0.00 0.00 72.50 70.36 2clz s THR 68 CO 0.02 -0.36 1.18 -1.61 -2.21 0.00 0.00 174.62 171.64 2clz s GLU 69 N -1.45 4.53 0.04 7.08 2.02 -1.26 -0.58 118.70 129.07 2clz s GLU 69 Ca -0.14 1.92 -0.22 0.00 0.02 0.00 0.00 54.97 56.56 2clz s GLU 69 Cb -0.07 -3.18 0.05 0.00 0.10 0.00 0.00 34.13 31.03 2clz s GLU 69 CO 0.02 0.03 0.50 -0.59 0.02 0.00 0.00 175.26 175.24 2clz s PHE 70 N -0.80 -0.40 -0.33 1.61 -0.71 -0.64 -4.86 117.98 111.84 2clz s PHE 70 Ca 0.48 0.45 0.03 0.00 -1.04 0.00 0.00 56.93 56.86 2clz s PHE 70 Cb -0.34 0.31 0.10 0.00 -1.21 0.00 0.00 43.02 41.88 2clz s PHE 70 CO 0.42 -0.62 0.05 0.99 -1.34 0.00 0.00 175.22 174.72 2clz s THR 71 N -2.34 2.12 0.50 -4.49 2.01 -1.26 0.11 115.64 112.29 2clz s THR 71 Ca -0.06 -2.21 -0.23 0.00 0.31 0.00 0.00 61.69 59.50 2clz s THR 71 Cb -0.01 -2.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.88 2clz s THR 71 CO -0.01 -0.57 1.38 -2.16 -0.69 0.00 0.00 174.62 172.57 2clz s PRO 72 N 0.99 3.39 0.37 4.92 0.04 -1.26 -4.75 135.00 138.70 2clz s PRO 72 Ca 0.10 2.30 0.04 0.00 0.04 0.00 0.00 61.00 63.47 2clz s PRO 72 Cb -0.19 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 2clz s PRO 72 CO -0.10 -1.02 0.08 0.95 0.04 0.00 0.00 177.00 176.96 2clz s THR 73 N -1.27 0.94 0.25 1.26 -4.23 -1.26 -1.01 115.64 110.33 2clz s THR 73 Ca 0.67 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.15 2clz s THR 73 Cb -0.41 -2.56 0.23 0.00 1.34 0.00 0.00 72.50 71.10 2clz s THR 73 CO 0.51 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.33 2clz h GLU 74 N 1.92 0.84 0.00 3.99 4.81 -1.98 -3.33 114.58 120.83 2clz h GLU 74 Ca -0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2clz h GLU 74 Cb 1.26 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2clz h GLU 74 CO 0.65 0.56 -0.31 0.25 -0.73 0.00 0.00 179.01 179.42 2clz n THR 75 N -4.70 0.00 -2.30 0.32 -2.24 -1.26 -4.99 114.28 99.12 2clz n THR 75 Ca 0.15 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 2clz n THR 75 Cb 0.28 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 2clz n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2clz s ASP 76 N -1.54 7.00 -0.15 3.42 1.01 -1.25 -5.02 116.67 120.13 2clz s ASP 76 Ca 0.01 2.33 -0.06 0.00 0.71 0.00 0.00 52.55 55.54 2clz s ASP 76 Cb 0.03 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2clz s ASP 76 CO 0.19 -0.43 0.07 -0.89 0.21 0.00 0.00 175.17 174.32 2clz s THR 77 N -0.10 4.88 0.11 -1.27 2.01 -1.26 -4.75 115.64 115.26 2clz s THR 77 Ca 0.54 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.63 2clz s THR 77 Cb -0.35 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2clz s THR 77 CO 0.38 0.53 -0.25 -0.31 -0.69 0.00 0.00 174.62 174.28 2clz s TYR 78 N -0.22 2.18 0.15 4.92 1.51 -1.26 -0.54 117.35 124.09 2clz s TYR 78 Ca 0.08 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.61 2clz s TYR 78 Cb -0.12 -1.20 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2clz s TYR 78 CO 0.01 0.28 0.38 0.00 -1.11 0.00 0.00 175.55 175.11 2clz s ALA 79 N -1.05 -0.63 -0.09 3.71 0.00 -0.67 -0.62 121.76 122.42 2clz s ALA 79 Ca 0.12 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.76 2clz s ALA 79 Cb -0.10 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2clz s ALA 79 CO 0.05 -0.67 -0.21 0.00 0.00 0.00 0.00 175.76 174.93 2clz s ARG 81 N 0.36 3.22 -0.13 0.00 3.52 0.93 -1.11 118.95 125.75 2clz s ARG 81 Ca -0.16 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 2clz s ARG 81 Cb -0.17 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 2clz s ARG 81 CO 0.07 0.08 -0.21 0.08 -0.81 0.00 0.00 175.30 174.51 2clz s VAL 82 N 0.64 1.97 -0.18 7.11 1.01 0.37 -0.41 120.40 130.91 2clz s VAL 82 Ca -0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2clz s VAL 82 Cb -0.16 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2clz s VAL 82 CO 0.02 0.53 -0.06 -0.75 0.00 0.00 0.00 175.10 174.85 2clz s LYS 83 N 0.73 3.48 -0.11 2.72 2.20 0.65 -0.66 119.74 128.74 2clz s LYS 83 Ca -0.10 -0.60 -0.17 0.00 -0.36 0.00 0.00 55.97 54.74 2clz s LYS 83 Cb -0.16 -2.91 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2clz s LYS 83 CO 0.01 0.03 0.44 -1.58 -0.36 0.00 0.00 175.35 173.88 2clz s HIS 84 N 0.88 -0.42 0.63 4.03 2.46 -1.26 -0.99 115.29 120.62 2clz s HIS 84 Ca -0.01 0.93 0.37 0.00 0.47 0.00 0.00 55.06 56.81 2clz s HIS 84 Cb -0.15 0.18 2.11 0.00 -0.13 0.00 0.00 32.58 34.58 2clz s HIS 84 CO 0.01 -0.32 2.31 -0.44 -2.47 0.00 0.00 174.74 173.83 2clz h ASP 85 N 4.71 0.00 0.46 9.88 3.45 -1.93 -1.66 116.42 131.32 2clz h ASP 85 Ca -0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.18 2clz h ASP 85 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2clz h ASP 85 CO 0.29 0.00 0.00 0.77 -1.57 0.00 0.00 179.24 178.73 2clz h SER 86 N 0.00 0.00 -4.46 6.45 4.64 -1.87 -3.43 113.55 114.88 2clz h SER 86 Ca -0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 2clz h SER 86 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 2clz h SER 86 CO 0.00 0.00 -0.87 -0.04 -0.87 0.00 0.00 176.83 175.05 2clz s MET 87 N -3.57 2.11 0.30 4.77 -1.94 -0.63 -4.88 119.30 115.46 2clz s MET 87 Ca 0.00 -0.93 0.07 0.00 -1.71 0.00 0.00 55.69 53.12 2clz s MET 87 Cb 0.09 -2.08 0.47 0.00 2.01 0.00 0.00 34.83 35.32 2clz s MET 87 CO 0.36 0.56 1.71 0.00 -0.01 0.00 0.00 175.02 177.65 2clz h ALA 88 N 5.33 1.13 -2.85 3.03 0.00 -1.84 -3.44 119.26 120.61 2clz h ALA 88 Ca -0.44 -0.40 -0.32 0.00 0.00 0.00 0.00 54.91 53.75 2clz h ALA 88 Cb 1.13 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.64 2clz h ALA 88 CO 0.47 0.57 -0.74 -1.21 0.00 0.00 0.00 179.25 178.35 2clz s GLU 89 N -4.19 0.80 0.34 0.00 2.02 -1.26 -5.13 118.70 111.29 2clz s GLU 89 Ca -0.05 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 53.57 2clz s GLU 89 Cb 0.13 -0.52 -0.11 0.00 0.10 0.00 0.00 34.13 33.74 2clz s GLU 89 CO 0.77 0.08 1.49 -2.14 0.02 0.00 0.00 175.26 175.48 2clz s PRO 90 N -2.55 4.15 -0.20 0.39 0.02 -1.26 -4.88 135.00 130.66 2clz s PRO 90 Ca 0.03 2.52 -0.13 0.00 0.02 0.00 0.00 61.00 63.44 2clz s PRO 90 Cb -0.04 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 2clz s PRO 90 CO 0.00 -0.51 0.26 0.21 -0.33 0.00 0.00 177.00 176.63 2clz s LYS 91 N -1.58 4.17 -0.21 5.54 2.47 0.16 -4.87 119.74 125.41 2clz s LYS 91 Ca 0.55 -0.02 -0.05 0.00 -1.56 0.00 0.00 55.97 54.89 2clz s LYS 91 Cb -0.46 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.40 2clz s LYS 91 CO 0.57 0.11 0.01 0.99 0.16 0.00 0.00 175.35 177.19 2clz s THR 92 N 0.88 3.92 -0.16 3.43 2.01 -1.26 -0.48 115.64 123.98 2clz s THR 92 Ca 0.13 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 2clz s THR 92 Cb -0.13 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2clz s THR 92 CO 0.04 0.41 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 2clz s VAL 93 N 1.19 3.02 0.18 3.82 1.01 -0.26 -4.97 120.40 124.39 2clz s VAL 93 Ca 0.03 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2clz s VAL 93 Cb -0.14 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.85 2clz s VAL 93 CO 0.01 0.50 0.68 -0.31 0.00 0.00 0.00 175.10 175.98 2clz s TYR 94 N 0.80 3.69 0.10 5.22 2.02 -1.26 -1.03 117.35 126.88 2clz s TYR 94 Ca -0.04 1.35 -0.31 0.00 -0.37 0.00 0.00 57.07 57.69 2clz s TYR 94 Cb -0.15 -2.58 -0.08 0.00 -0.40 0.00 0.00 41.96 38.75 2clz s TYR 94 CO 0.01 0.40 1.43 -0.46 -1.57 0.00 0.00 175.55 175.36 2clz s TRP 95 N -1.42 3.09 -0.25 2.71 -0.00 0.21 -4.86 118.94 118.43 2clz s TRP 95 Ca 0.40 0.85 0.00 0.00 -0.00 0.00 0.00 56.10 57.35 2clz s TRP 95 Cb -0.17 -3.72 0.04 0.00 -0.00 0.00 0.00 33.47 29.61 2clz s TRP 95 CO 0.21 -2.61 -0.10 0.34 -0.00 0.00 0.00 176.95 174.80 2clz s ASP 96 N 1.35 4.20 0.00 5.86 -1.08 -1.26 -4.77 116.67 120.97 2clz s ASP 96 Ca 0.66 -1.05 0.08 0.00 -0.52 0.00 0.00 52.55 51.72 2clz s ASP 96 Cb -0.37 -1.60 0.36 0.00 -1.46 0.00 0.00 42.92 39.85 2clz s ASP 96 CO 0.30 -0.14 1.24 -2.11 0.52 0.00 0.00 175.17 174.98 2clz n ARG 97 N 4.58 0.02 -0.07 4.34 1.85 -1.26 -0.99 116.66 125.13 2clz n ARG 97 Ca -0.16 0.33 0.12 0.00 -1.00 0.00 0.00 57.85 57.14 2clz n ARG 97 Cb 0.46 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.63 2clz n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2clz n ASP 98 N -1.46 2.61 0.00 2.89 8.00 -1.26 -4.81 116.55 122.51 2clz n ASP 98 Ca 0.02 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2clz n ASP 98 Cb 0.09 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2clz n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04