#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ccz s SER 2 N 0.00 -0.36 -0.12 -2.13 0.15 -1.24 -1.82 113.70 108.17 1ccz s SER 2 Ca 0.00 0.66 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 1ccz s SER 2 Cb 0.00 0.70 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 1ccz s SER 2 CO 0.00 -0.17 0.34 -1.10 1.20 0.00 0.00 173.24 173.50 1ccz s GLN 3 N -0.00 0.41 -0.22 5.44 -0.21 -0.38 -4.96 119.66 119.74 1ccz s GLN 3 Ca -0.02 0.43 -0.12 0.00 0.02 0.00 0.00 55.36 55.67 1ccz s GLN 3 Cb -0.03 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 34.13 1ccz s GLN 3 CO 0.01 -0.06 0.25 -0.65 -2.12 0.00 0.00 175.29 172.72 1ccz s GLN 4 N 0.09 4.11 -0.04 2.91 -1.52 -1.26 -0.03 119.66 123.91 1ccz s GLN 4 Ca -0.01 -0.10 0.05 0.00 -1.95 0.00 0.00 55.36 53.35 1ccz s GLN 4 Cb -0.03 -3.53 -0.00 0.00 -0.22 0.00 0.00 33.01 29.23 1ccz s GLN 4 CO 0.01 0.04 -0.18 0.42 -0.25 0.00 0.00 175.29 175.32 1ccz s ILE 5 N 1.11 1.50 -0.23 1.08 -1.09 0.13 -4.95 121.20 118.75 1ccz s ILE 5 Ca 0.12 -0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1ccz s ILE 5 Cb -0.14 -1.28 0.03 0.00 -1.58 0.00 0.00 42.46 39.49 1ccz s ILE 5 CO 0.05 0.43 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.79 1ccz s TYR 6 N -0.00 3.02 0.37 3.97 2.02 -1.26 -0.63 117.35 124.83 1ccz s TYR 6 Ca -0.03 -1.63 0.08 0.00 -0.37 0.00 0.00 57.07 55.12 1ccz s TYR 6 Cb -0.12 -2.02 -0.06 0.00 -0.40 0.00 0.00 41.96 39.37 1ccz s TYR 6 CO 0.02 -0.75 0.02 0.20 -1.57 0.00 0.00 175.55 173.47 1ccz s GLY 7 N 1.30 2.23 -0.03 0.71 0.00 0.44 -4.96 107.32 107.00 1ccz s GLY 7 Ca 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 44.72 42.66 1ccz s GLY 7 CO -0.06 -1.97 -0.05 0.14 0.00 0.00 0.00 173.10 171.16 1ccz s VAL 8 N -2.59 3.81 0.28 1.40 1.01 -1.26 -0.15 120.40 122.91 1ccz s VAL 8 Ca 0.36 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1ccz s VAL 8 Cb 0.03 -2.62 -0.14 0.00 0.00 0.00 0.00 36.38 33.66 1ccz s VAL 8 CO 0.19 0.49 1.16 0.52 0.00 0.00 0.00 175.10 177.47 1ccz n VAL 9 N 1.86 1.72 -0.23 2.92 0.31 -0.74 -0.06 118.33 124.12 1ccz n VAL 9 Ca -0.17 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1ccz n VAL 9 Cb 0.53 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1ccz n VAL 9 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ccz n TYR 10 N 0.64 0.00 -1.08 3.52 4.01 0.97 -4.86 117.16 120.36 1ccz n TYR 10 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1ccz n TYR 10 Cb 0.32 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 1ccz n TYR 10 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ccz n GLY 11 N -2.00 1.08 3.25 2.72 0.00 0.91 -4.14 105.19 107.01 1ccz n GLY 11 Ca 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 1ccz n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ccz s ASN 12 N -1.00 0.16 0.07 1.61 2.20 -1.26 -0.79 114.94 115.92 1ccz s ASN 12 Ca 0.00 -1.01 -0.05 0.00 -0.94 0.00 0.00 52.86 50.86 1ccz s ASN 12 Cb 0.00 0.37 -0.02 0.00 -2.00 0.00 0.00 41.25 39.61 1ccz s ASN 12 CO 0.00 -0.82 0.09 0.68 -2.94 0.00 0.00 177.10 174.11 1ccz s VAL 13 N -4.00 0.17 -0.09 3.54 -7.23 -0.93 -4.77 120.40 107.10 1ccz s VAL 13 Ca 0.20 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1ccz s VAL 13 Cb 0.05 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.64 1ccz s VAL 13 CO 0.01 -0.79 -0.14 -0.89 -0.31 0.00 0.00 175.10 172.98 1ccz s THR 14 N -3.76 1.31 -0.64 5.32 2.01 -1.26 -1.26 115.64 117.36 1ccz s THR 14 Ca 0.05 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.29 1ccz s THR 14 Cb 0.06 -1.20 0.09 0.00 0.01 0.00 0.00 72.50 71.46 1ccz s THR 14 CO -0.10 0.40 0.85 -0.36 -0.69 0.00 0.00 174.62 174.72 1ccz s PHE 15 N 0.85 2.85 -0.10 4.92 0.08 0.11 -4.97 117.98 121.72 1ccz s PHE 15 Ca -0.10 -0.79 -0.30 0.00 0.12 0.00 0.00 56.93 55.86 1ccz s PHE 15 Cb -0.15 -4.16 -0.02 0.00 -0.57 0.00 0.00 43.02 38.11 1ccz s PHE 15 CO 0.01 -1.48 1.18 -1.01 -0.10 0.00 0.00 175.22 173.83 1ccz s HIS 16 N 3.34 3.15 -0.14 0.36 3.76 -1.26 -2.67 115.29 121.82 1ccz s HIS 16 Ca 0.18 1.22 -0.01 0.00 -0.15 0.00 0.00 55.06 56.30 1ccz s HIS 16 Cb -0.20 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.07 1ccz s HIS 16 CO 0.07 -1.23 -0.12 0.08 -0.85 0.00 0.00 174.74 172.70 1ccz s VAL 17 N 2.61 3.11 -0.43 -0.90 1.01 -1.26 -5.03 120.40 119.51 1ccz s VAL 17 Ca 0.54 -0.63 -0.38 0.00 0.00 0.00 0.00 61.98 61.50 1ccz s VAL 17 Cb -0.22 -2.32 -0.16 0.00 0.00 0.00 0.00 36.38 33.67 1ccz s VAL 17 CO 0.18 0.51 1.68 -2.65 0.00 0.00 0.00 175.10 174.83 1ccz n PRO 18 N 3.71 0.00 -3.25 2.72 -0.01 -1.26 -4.73 135.00 132.17 1ccz n PRO 18 Ca -0.18 0.00 -0.44 0.00 -0.01 0.00 0.00 63.50 62.87 1ccz n PRO 18 Cb 0.52 -1.28 -0.07 0.00 -0.01 0.00 0.00 33.50 32.67 1ccz n PRO 18 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1ccz s SER 19 N 4.33 6.19 0.00 2.55 0.15 -1.26 -4.88 113.70 120.78 1ccz s SER 19 Ca 0.98 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1ccz s SER 19 Cb -1.28 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 60.78 1ccz s SER 19 CO 0.61 -0.81 0.00 -0.46 1.20 0.00 0.00 173.24 173.78 1ccz n ASN 20 N 5.78 0.00 -4.65 5.45 6.94 -1.26 -5.05 115.26 122.47 1ccz n ASN 20 Ca -0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.04 1ccz n ASN 20 Cb 0.44 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.84 1ccz n ASN 20 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ccz s VAL 21 N 0.96 3.96 0.46 3.53 0.11 -1.26 -4.96 120.40 123.19 1ccz s VAL 21 Ca 0.00 1.12 -0.22 0.00 -2.93 0.00 0.00 61.98 59.95 1ccz s VAL 21 Cb 0.00 -3.85 -0.11 0.00 -1.53 0.00 0.00 36.38 30.89 1ccz s VAL 21 CO 0.00 -0.24 0.71 -2.65 -3.33 0.00 0.00 175.10 169.59 1ccz n PRO 22 N 7.15 0.80 -3.27 1.54 -0.02 -1.26 -4.95 135.00 134.99 1ccz n PRO 22 Ca 0.16 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 1ccz n PRO 22 Cb 0.45 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 1ccz n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ccz s LEU 23 N 0.66 4.37 -0.13 2.45 1.02 -1.14 -4.98 118.68 120.94 1ccz s LEU 23 Ca 0.65 1.20 -0.10 0.00 0.02 0.00 0.00 54.13 55.90 1ccz s LEU 23 Cb -0.55 -3.29 -0.26 0.00 0.02 0.00 0.00 46.19 42.11 1ccz s LEU 23 CO 0.56 0.11 0.38 0.11 0.02 0.00 0.00 176.35 177.54 1ccz h LYS 24 N 3.69 0.23 -4.49 1.70 6.56 -1.92 -3.46 116.57 118.88 1ccz h LYS 24 Ca -0.49 -0.40 -0.22 0.00 -1.06 0.00 0.00 60.65 58.48 1ccz h LYS 24 Cb 1.20 0.15 -0.18 0.00 -0.57 0.00 0.00 32.23 32.82 1ccz h LYS 24 CO 0.65 1.19 -0.71 -1.21 -2.06 0.00 0.00 179.45 177.31 1ccz s GLU 25 N -2.52 0.62 -0.11 3.15 2.02 -1.26 -4.74 118.70 115.86 1ccz s GLU 25 Ca -0.23 -1.01 -0.18 0.00 0.02 0.00 0.00 54.97 53.58 1ccz s GLU 25 Cb 0.06 -0.15 0.04 0.00 0.10 0.00 0.00 34.13 34.18 1ccz s GLU 25 CO 0.75 -0.01 0.45 0.54 0.02 0.00 0.00 175.26 177.01 1ccz s VAL 26 N -2.51 0.02 -0.04 2.63 0.11 -0.49 -4.42 120.40 115.70 1ccz s VAL 26 Ca -0.01 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1ccz s VAL 26 Cb -0.02 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1ccz s VAL 26 CO -0.03 -0.07 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.36 1ccz s LEU 27 N -0.38 1.68 -0.09 2.54 2.96 0.35 -0.98 118.68 124.76 1ccz s LEU 27 Ca -0.05 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1ccz s LEU 27 Cb -0.03 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 1ccz s LEU 27 CO 0.03 0.04 -0.18 0.26 -1.32 0.00 0.00 176.35 175.18 1ccz s TRP 28 N 0.41 2.67 0.08 5.38 0.52 -0.30 -0.47 118.94 127.23 1ccz s TRP 28 Ca -0.07 -0.62 0.08 0.00 0.02 0.00 0.00 56.10 55.51 1ccz s TRP 28 Cb -0.11 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1ccz s TRP 28 CO 0.01 -0.16 -0.20 0.15 0.02 0.00 0.00 176.95 176.77 1ccz s LYS 29 N 0.00 1.15 -0.40 4.98 1.02 0.11 0.12 119.74 126.72 1ccz s LYS 29 Ca -0.06 -1.07 -0.03 0.00 0.02 0.00 0.00 55.97 54.84 1ccz s LYS 29 Cb -0.15 -1.34 0.10 0.00 -0.52 0.00 0.00 37.83 35.93 1ccz s LYS 29 CO 0.05 0.32 0.18 0.21 -0.92 0.00 0.00 175.35 175.19 1ccz s LYS 30 N -1.67 2.03 7.38 1.68 2.20 0.58 -0.39 119.74 131.54 1ccz s LYS 30 Ca 0.06 -1.77 0.00 0.00 -0.36 0.00 0.00 55.97 53.90 1ccz s LYS 30 Cb -0.10 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1ccz s LYS 30 CO 0.03 -1.03 0.00 1.04 -0.36 0.00 0.00 175.35 175.04 1ccz n GLN 31 N 4.59 0.00 -0.04 4.03 1.13 -0.01 -2.30 117.38 124.78 1ccz n GLN 31 Ca -0.03 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.07 1ccz n GLN 31 Cb 0.42 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.83 1ccz n GLN 31 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ccz n LYS 32 N 8.70 1.04 -3.94 -1.09 4.76 -1.26 -4.80 118.16 121.56 1ccz n LYS 32 Ca 0.00 -1.30 -0.32 0.00 -2.87 0.00 0.00 58.31 53.82 1ccz n LYS 32 Cb 0.00 -1.18 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 1ccz n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ccz s ASP 33 N -0.82 6.22 0.31 4.39 1.01 -0.97 -5.05 116.67 121.76 1ccz s ASP 33 Ca 0.13 0.26 -0.29 0.00 0.71 0.00 0.00 52.55 53.35 1ccz s ASP 33 Cb 0.08 -1.90 -0.10 0.00 1.01 0.00 0.00 42.92 42.01 1ccz s ASP 33 CO 0.12 0.21 1.22 -0.54 0.21 0.00 0.00 175.17 176.38 1ccz s LYS 34 N -2.26 4.47 -0.12 8.23 1.02 -1.26 -0.31 119.74 129.51 1ccz s LYS 34 Ca 0.31 2.04 -0.09 0.00 0.02 0.00 0.00 55.97 58.26 1ccz s LYS 34 Cb -0.13 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1ccz s LYS 34 CO 0.23 -0.02 -0.20 0.28 -0.92 0.00 0.00 175.35 174.72 1ccz n VAL 35 N 0.99 1.03 -3.52 3.17 0.31 0.12 -4.60 118.33 115.83 1ccz n VAL 35 Ca -0.00 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 1ccz n VAL 35 Cb 0.43 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 1ccz n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ccz s ALA 36 N -2.36 -1.61 0.11 3.52 0.00 -1.18 -0.83 121.76 119.41 1ccz s ALA 36 Ca -0.20 0.49 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 1ccz s ALA 36 Cb 0.06 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.99 1ccz s ALA 36 CO 0.26 -0.80 0.50 -1.83 0.00 0.00 0.00 175.76 173.89 1ccz s GLU 37 N -3.59 1.13 -0.32 0.00 -1.05 -0.23 -1.15 118.70 113.49 1ccz s GLU 37 Ca 0.04 -0.48 0.03 0.00 -0.15 0.00 0.00 54.97 54.41 1ccz s GLU 37 Cb -0.02 0.51 0.09 0.00 -0.44 0.00 0.00 34.13 34.27 1ccz s GLU 37 CO -0.09 -0.45 0.03 -0.51 0.95 0.00 0.00 175.26 175.20 1ccz s LEU 38 N -2.53 4.04 -0.07 1.83 1.43 -0.15 -2.26 118.68 120.97 1ccz s LEU 38 Ca -0.00 -1.91 0.01 0.00 -1.03 0.00 0.00 54.13 51.19 1ccz s LEU 38 Cb 0.00 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1ccz s LEU 38 CO -0.09 -0.35 -0.06 -0.70 0.23 0.00 0.00 176.35 175.38 1ccz s GLU 39 N 1.08 1.09 -1.46 1.70 2.12 -0.28 -1.39 118.70 121.55 1ccz s GLU 39 Ca 0.07 -0.16 -0.11 0.00 0.36 0.00 0.00 54.97 55.13 1ccz s GLU 39 Cb -0.19 -1.11 0.06 0.00 0.26 0.00 0.00 34.13 33.15 1ccz s GLU 39 CO -0.10 -0.13 1.01 0.09 -0.54 0.00 0.00 175.26 175.58 1ccz n ASN 40 N 4.36 -4.77 -0.56 -1.70 3.02 -1.26 -1.29 115.26 113.06 1ccz n ASN 40 Ca -0.19 -0.72 -0.07 0.00 -0.03 0.00 0.00 54.58 53.56 1ccz n ASN 40 Cb 0.51 -4.20 -0.03 0.00 -0.61 0.00 0.00 39.78 35.45 1ccz n ASN 40 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ccz n SER 41 N -2.91 -4.82 -4.30 6.41 7.64 -1.26 -4.99 113.62 109.39 1ccz n SER 41 Ca -0.01 0.18 -0.27 0.00 1.01 0.00 0.00 58.87 59.78 1ccz n SER 41 Cb 0.55 -2.96 -0.14 0.00 -1.01 0.00 0.00 64.21 60.65 1ccz n SER 41 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ccz s GLU 42 N -2.30 1.48 -0.04 1.43 2.02 -0.41 -5.13 118.70 115.75 1ccz s GLU 42 Ca 0.00 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 1ccz s GLU 42 Cb 0.00 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 1ccz s GLU 42 CO 0.00 0.42 0.02 0.12 0.02 0.00 0.00 175.26 175.84 1ccz s PHE 43 N -0.89 3.16 -0.17 1.61 5.36 -1.26 -1.12 117.98 124.67 1ccz s PHE 43 Ca 0.10 0.16 -0.26 0.00 -0.96 0.00 0.00 56.93 55.97 1ccz s PHE 43 Cb -0.10 -1.74 0.06 0.00 -0.34 0.00 0.00 43.02 40.91 1ccz s PHE 43 CO 0.03 0.49 0.66 -0.98 -1.46 0.00 0.00 175.22 173.95 1ccz s ARG 44 N -1.28 0.88 0.30 10.12 1.70 -0.96 -5.02 118.95 124.70 1ccz s ARG 44 Ca 0.17 0.63 0.10 0.00 -0.47 0.00 0.00 55.73 56.16 1ccz s ARG 44 Cb -0.12 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1ccz s ARG 44 CO 0.07 -0.18 -0.01 0.00 -1.08 0.00 0.00 175.30 174.10 1ccz s ALA 45 N -0.30 3.16 0.19 7.88 0.00 -1.26 -1.07 121.76 130.37 1ccz s ALA 45 Ca -0.05 -1.80 0.07 0.00 0.00 0.00 0.00 51.96 50.18 1ccz s ALA 45 Cb -0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1ccz s ALA 45 CO 0.04 0.18 -0.13 -0.06 0.00 0.00 0.00 175.76 175.79 1ccz s PHE 46 N -2.42 1.59 0.00 0.00 0.40 -0.01 -4.66 117.98 112.88 1ccz s PHE 46 Ca 0.33 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1ccz s PHE 46 Cb -0.04 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.73 1ccz s PHE 46 CO 0.19 0.28 0.00 0.43 0.70 0.00 0.00 175.22 176.82 1ccz n SER 47 N -0.34 0.00 0.03 1.36 7.64 -1.26 -1.01 113.62 120.04 1ccz n SER 47 Ca -0.08 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.84 1ccz n SER 47 Cb 0.60 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.00 1ccz n SER 47 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ccz n SER 48 N 1.57 0.10 -0.10 6.43 3.41 -1.26 -2.54 113.62 121.23 1ccz n SER 48 Ca 0.00 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1ccz n SER 48 Cb 0.00 -0.56 0.30 0.00 -0.26 0.00 0.00 64.21 63.69 1ccz n SER 48 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ccz n PHE 49 N -1.63 0.00 -1.76 7.33 3.72 -0.18 -4.77 117.46 120.17 1ccz n PHE 49 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1ccz n PHE 49 Cb 0.07 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 38.40 1ccz n PHE 49 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ccz s LYS 50 N -2.79 4.12 0.00 -1.08 1.02 -1.05 -1.55 119.74 118.41 1ccz s LYS 50 Ca 0.17 2.59 0.00 0.00 0.02 0.00 0.00 55.97 58.74 1ccz s LYS 50 Cb 0.18 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1ccz s LYS 50 CO 0.63 -0.67 0.00 0.09 -0.92 0.00 0.00 175.35 174.47 1ccz n ASN 51 N 2.78 -0.93 -1.38 2.83 3.02 -1.26 -4.83 115.26 115.50 1ccz n ASN 51 Ca 0.11 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.69 1ccz n ASN 51 Cb 0.37 -0.74 0.02 0.00 -0.61 0.00 0.00 39.78 38.82 1ccz n ASN 51 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1ccz n ARG 52 N -2.02 0.01 -4.06 3.52 1.85 -0.59 -5.04 116.66 110.32 1ccz n ARG 52 Ca 0.00 -1.88 -0.11 0.00 -1.00 0.00 0.00 57.85 54.86 1ccz n ARG 52 Cb 0.03 -0.07 -0.11 0.00 -1.05 0.00 0.00 32.46 31.26 1ccz n ARG 52 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ccz s VAL 53 N -0.01 0.43 -0.04 8.89 -7.23 -1.21 -0.05 120.40 121.17 1ccz s VAL 53 Ca 0.30 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1ccz s VAL 53 Cb 0.34 -0.81 0.01 0.00 0.56 0.00 0.00 36.38 36.49 1ccz s VAL 53 CO -0.15 -0.56 -0.09 -0.47 -0.31 0.00 0.00 175.10 173.52 1ccz s TYR 54 N -2.06 1.08 -0.26 2.82 5.04 0.17 -4.97 117.35 119.17 1ccz s TYR 54 Ca -0.06 -0.33 -0.02 0.00 -2.44 0.00 0.00 57.07 54.22 1ccz s TYR 54 Cb -0.05 -0.81 0.03 0.00 0.35 0.00 0.00 41.96 41.47 1ccz s TYR 54 CO -0.02 -0.19 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.80 1ccz s LEU 55 N 0.56 3.40 -0.16 6.97 2.96 -1.26 -0.82 118.68 130.33 1ccz s LEU 55 Ca -0.10 -0.96 -0.29 0.00 -0.22 0.00 0.00 54.13 52.56 1ccz s LEU 55 Cb -0.13 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1ccz s LEU 55 CO 0.02 -0.16 1.79 -0.62 -1.32 0.00 0.00 176.35 176.06 1ccz s ASP 56 N 1.32 6.24 0.14 3.68 2.15 0.11 -4.85 116.67 125.46 1ccz s ASP 56 Ca -0.01 1.91 0.20 0.00 0.43 0.00 0.00 52.55 55.08 1ccz s ASP 56 Cb -0.17 -2.53 0.84 0.00 -0.30 0.00 0.00 42.92 40.76 1ccz s ASP 56 CO -0.03 -1.33 1.63 0.35 -0.17 0.00 0.00 175.17 175.62 1ccz n THR 57 N 6.43 0.84 -0.09 1.71 -2.24 -1.26 -0.18 114.28 119.48 1ccz n THR 57 Ca 0.21 0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 62.02 1ccz n THR 57 Cb 0.44 -1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 67.56 1ccz n THR 57 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ccz h VAL 58 N 0.00 0.64 0.00 2.28 2.07 -1.89 -3.39 116.25 115.96 1ccz h VAL 58 Ca 0.00 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.61 1ccz h VAL 58 Cb 0.35 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1ccz h VAL 58 CO 0.00 0.22 -1.81 -1.54 0.02 0.00 0.00 177.57 174.46 1ccz n SER 59 N -4.50 0.30 0.00 0.57 3.41 -1.24 -2.89 113.62 109.27 1ccz n SER 59 Ca -0.24 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1ccz n SER 59 Cb 0.54 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 1ccz n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ccz n GLY 60 N 1.37 0.75 3.75 5.00 0.00 0.75 -4.73 105.19 112.08 1ccz n GLY 60 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1ccz n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ccz s SER 61 N -2.56 6.37 -0.14 1.61 0.01 -1.25 -4.64 113.70 113.09 1ccz s SER 61 Ca 0.00 2.97 -0.04 0.00 1.31 0.00 0.00 55.95 60.18 1ccz s SER 61 Cb 0.00 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1ccz s SER 61 CO 0.00 -0.91 0.00 -0.22 0.41 0.00 0.00 173.24 172.52 1ccz s LEU 62 N -0.73 3.52 -0.14 2.44 2.96 -1.09 -0.71 118.68 124.92 1ccz s LEU 62 Ca 0.62 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 1ccz s LEU 62 Cb -0.48 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 1ccz s LEU 62 CO 0.50 0.23 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.72 1ccz s THR 63 N -0.01 2.68 -0.18 3.68 2.01 0.00 0.05 115.64 123.87 1ccz s THR 63 Ca 0.03 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1ccz s THR 63 Cb -0.13 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1ccz s THR 63 CO 0.02 0.52 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 1ccz s ILE 64 N 0.64 3.63 0.28 1.82 1.01 -0.39 -0.65 121.20 127.54 1ccz s ILE 64 Ca -0.08 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1ccz s ILE 64 Cb -0.16 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1ccz s ILE 64 CO 0.02 0.46 0.36 -0.31 0.00 0.00 0.00 174.94 175.48 1ccz s TYR 65 N 0.82 3.25 -1.19 3.97 2.02 0.92 -2.19 117.35 124.96 1ccz s TYR 65 Ca -0.01 -0.12 -0.21 0.00 -0.37 0.00 0.00 57.07 56.36 1ccz s TYR 65 Cb -0.15 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1ccz s TYR 65 CO 0.02 0.30 0.72 -1.71 -1.57 0.00 0.00 175.55 173.31 1ccz n ASN 66 N -1.44 -4.45 -4.68 2.29 5.15 -0.61 -4.88 115.26 106.64 1ccz n ASN 66 Ca -0.06 -1.07 -0.41 0.00 -0.60 0.00 0.00 54.58 52.44 1ccz n ASN 66 Cb 0.58 -3.01 0.01 0.00 -0.53 0.00 0.00 39.78 36.83 1ccz n ASN 66 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ccz n LEU 67 N -4.38 3.74 -4.20 1.20 4.77 0.03 -4.61 117.00 113.55 1ccz n LEU 67 Ca -0.12 1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.81 1ccz n LEU 67 Cb 0.60 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 1ccz n LEU 67 CO 0.70 -0.89 -0.40 0.28 -1.33 0.00 0.00 177.39 175.75 1ccz s THR 68 N -1.23 0.90 0.35 -5.08 -1.32 -1.26 -0.02 115.64 107.98 1ccz s THR 68 Ca 0.62 -1.90 0.08 0.00 -1.21 0.00 0.00 61.69 59.29 1ccz s THR 68 Cb -0.51 -1.65 0.32 0.00 -1.51 0.00 0.00 72.50 69.15 1ccz s THR 68 CO 0.57 -0.76 1.88 0.77 -2.21 0.00 0.00 174.62 174.87 1ccz h SER 69 N 3.06 0.66 0.01 8.08 4.64 -1.96 0.77 113.55 128.81 1ccz h SER 69 Ca -0.36 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ccz h SER 69 Cb 1.18 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1ccz h SER 69 CO 0.61 0.35 -0.00 0.77 -0.87 0.00 0.00 176.83 177.69 1ccz h SER 70 N 0.71 0.00 0.74 4.97 4.64 -1.98 -0.63 113.55 122.00 1ccz h SER 70 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1ccz h SER 70 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1ccz h SER 70 CO -0.20 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.23 1ccz n ASP 71 N -3.30 0.49 -4.67 4.97 8.00 0.26 -4.70 116.55 117.60 1ccz n ASP 71 Ca -0.03 0.61 -0.42 0.00 0.71 0.00 0.00 54.79 55.66 1ccz n ASP 71 Cb 0.08 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 1ccz n ASP 71 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ccz s GLU 72 N -3.21 4.20 0.00 -1.24 2.12 -0.25 -4.85 118.70 115.48 1ccz s GLU 72 Ca 0.06 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.50 1ccz s GLU 72 Cb 0.10 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1ccz s GLU 72 CO 0.38 -0.79 0.00 -3.47 -0.54 0.00 0.00 175.26 170.85 1ccz n ASP 73 N 6.71 0.00 -4.82 -1.70 -0.08 -0.56 -5.00 116.55 111.11 1ccz n ASP 73 Ca 0.16 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.07 1ccz n ASP 73 Cb 0.43 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.83 1ccz n ASP 73 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1ccz s GLU 74 N -1.93 3.84 0.03 -0.67 2.12 -1.26 -0.68 118.70 120.15 1ccz s GLU 74 Ca 0.00 0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.51 1ccz s GLU 74 Cb 0.00 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1ccz s GLU 74 CO 0.00 0.59 -0.22 0.71 -0.54 0.00 0.00 175.26 175.80 1ccz s TYR 75 N -0.59 1.91 -0.02 5.30 1.51 0.11 -0.83 117.35 124.74 1ccz s TYR 75 Ca 0.18 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1ccz s TYR 75 Cb -0.14 -1.17 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1ccz s TYR 75 CO 0.07 0.06 -0.12 -1.21 -1.11 0.00 0.00 175.55 173.24 1ccz s GLU 76 N -0.99 1.08 -0.11 -0.62 8.01 0.47 -0.34 118.70 126.20 1ccz s GLU 76 Ca 0.08 -0.42 -0.02 0.00 0.01 0.00 0.00 54.97 54.62 1ccz s GLU 76 Cb -0.09 -1.01 -0.03 0.00 -4.31 0.00 0.00 34.13 28.69 1ccz s GLU 76 CO 0.01 0.22 -0.04 1.41 0.01 0.00 0.00 175.26 176.87 1ccz s MET 77 N -0.11 3.26 0.02 1.61 1.75 0.01 -0.71 119.30 125.12 1ccz s MET 77 Ca 0.01 -0.50 0.03 0.00 -1.25 0.00 0.00 55.69 53.98 1ccz s MET 77 Cb -0.07 -2.79 -0.02 0.00 2.84 0.00 0.00 34.83 34.80 1ccz s MET 77 CO 0.00 0.47 -0.08 -1.83 -0.65 0.00 0.00 175.02 172.92 1ccz s GLU 78 N -0.25 0.58 -0.04 4.11 -1.05 0.38 -3.77 118.70 118.66 1ccz s GLU 78 Ca 0.04 -0.53 -0.05 0.00 -0.15 0.00 0.00 54.97 54.28 1ccz s GLU 78 Cb -0.13 -0.48 0.01 0.00 -0.44 0.00 0.00 34.13 33.09 1ccz s GLU 78 CO 0.02 0.11 0.13 0.45 0.95 0.00 0.00 175.26 176.93 1ccz s SER 79 N -0.90 -0.11 0.25 0.83 0.15 -1.26 -0.49 113.70 112.16 1ccz s SER 79 Ca -0.03 0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 1ccz s SER 79 Cb -0.06 0.27 0.50 0.00 -1.71 0.00 0.00 66.02 65.01 1ccz s SER 79 CO 0.00 -0.10 1.70 -0.65 1.20 0.00 0.00 173.24 175.39 1ccz h PRO 80 N 5.66 0.34 -0.74 5.44 0.11 -2.01 -1.44 132.00 139.36 1ccz h PRO 80 Ca -0.26 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1ccz h PRO 80 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1ccz h PRO 80 CO 0.42 0.22 0.04 -1.71 -0.21 0.00 0.00 178.00 176.77 1ccz n ASN 81 N -5.09 4.16 -4.20 -2.05 2.85 -1.26 -4.76 115.26 104.91 1ccz n ASN 81 Ca 0.15 -2.68 -0.35 0.00 -0.11 0.00 0.00 54.58 51.60 1ccz n ASN 81 Cb 0.47 -0.64 -0.14 0.00 1.24 0.00 0.00 39.78 40.71 1ccz n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ccz s ILE 82 N -2.20 2.97 0.01 -1.44 1.01 -0.54 -5.02 121.20 115.99 1ccz s ILE 82 Ca 0.37 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 1ccz s ILE 82 Cb 0.29 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1ccz s ILE 82 CO 0.10 0.13 0.91 0.74 0.00 0.00 0.00 174.94 176.83 1ccz h THR 83 N 6.18 0.00 -4.34 2.92 2.02 -1.85 -3.42 112.91 114.42 1ccz h THR 83 Ca -0.30 -0.08 -0.51 0.00 0.77 0.00 0.00 66.41 66.29 1ccz h THR 83 Cb 1.10 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 67.59 1ccz h THR 83 CO 0.57 0.00 0.39 1.51 0.37 0.00 0.00 175.52 178.35 1ccz s ASP 84 N -2.94 5.69 0.70 4.18 1.47 -1.26 -5.06 116.67 119.46 1ccz s ASP 84 Ca -0.05 1.56 -0.14 0.00 1.18 0.00 0.00 52.55 55.10 1ccz s ASP 84 Cb 0.01 -2.49 0.02 0.00 -0.34 0.00 0.00 42.92 40.12 1ccz s ASP 84 CO 0.15 -1.23 1.11 0.42 0.68 0.00 0.00 175.17 176.30 1ccz s THR 85 N -3.06 3.18 -0.31 2.11 -4.23 -1.26 -4.95 115.64 107.11 1ccz s THR 85 Ca 0.57 0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1ccz s THR 85 Cb -0.13 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 70.82 1ccz s THR 85 CO 0.54 -0.39 0.12 -0.04 -0.54 0.00 0.00 174.62 174.30 1ccz s MET 86 N -4.33 0.58 -0.08 3.99 -1.94 -1.25 -2.83 119.30 113.43 1ccz s MET 86 Ca 0.66 -0.97 -0.00 0.00 -1.71 0.00 0.00 55.69 53.66 1ccz s MET 86 Cb -0.20 -1.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.86 1ccz s MET 86 CO 0.46 -1.01 -0.05 0.15 -0.01 0.00 0.00 175.02 174.56 1ccz s LYS 87 N 1.68 2.93 -0.05 2.03 1.02 -0.76 -0.81 119.74 125.79 1ccz s LYS 87 Ca 0.10 -0.51 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 1ccz s LYS 87 Cb -0.17 -2.68 0.03 0.00 -0.52 0.00 0.00 37.83 34.48 1ccz s LYS 87 CO -0.27 0.61 -0.00 -0.06 -0.92 0.00 0.00 175.35 174.71 1ccz s PHE 88 N -0.65 0.51 -0.28 3.18 0.40 0.54 -1.25 117.98 120.43 1ccz s PHE 88 Ca 0.10 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1ccz s PHE 88 Cb -0.12 -0.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 1ccz s PHE 88 CO 0.02 -0.22 0.11 0.12 0.70 0.00 0.00 175.22 175.94 1ccz s PHE 89 N 1.45 3.14 -0.20 0.36 2.19 0.95 0.05 117.98 125.93 1ccz s PHE 89 Ca -0.03 -0.61 -0.11 0.00 0.33 0.00 0.00 56.93 56.51 1ccz s PHE 89 Cb -0.13 -2.29 -0.05 0.00 -1.31 0.00 0.00 43.02 39.24 1ccz s PHE 89 CO -0.03 -0.45 0.16 -1.17 1.83 0.00 0.00 175.22 175.57 1ccz s LEU 90 N 1.59 4.20 -0.08 6.12 2.96 0.14 -0.69 118.68 132.92 1ccz s LEU 90 Ca 0.05 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1ccz s LEU 90 Cb -0.16 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1ccz s LEU 90 CO 0.04 0.15 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.80 1ccz s TYR 91 N 0.49 2.81 -0.28 5.38 2.02 0.19 -1.50 117.35 126.47 1ccz s TYR 91 Ca 0.09 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1ccz s TYR 91 Cb -0.12 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1ccz s TYR 91 CO -0.00 0.11 0.02 0.08 -1.57 0.00 0.00 175.55 174.19 1ccz s VAL 92 N -0.42 3.45 0.07 0.71 1.01 -1.26 -0.42 120.40 123.54 1ccz s VAL 92 Ca 0.05 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1ccz s VAL 92 Cb -0.12 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1ccz s VAL 92 CO 0.02 0.09 -0.10 -0.76 0.00 0.00 0.00 175.10 174.35 1ccz s LEU 93 N 1.40 3.01 0.03 3.92 1.02 0.79 -4.85 118.68 124.00 1ccz s LEU 93 Ca 0.01 -0.33 -0.16 0.00 0.02 0.00 0.00 54.13 53.66 1ccz s LEU 93 Cb -0.17 -1.78 -0.06 0.00 0.02 0.00 0.00 46.19 44.19 1ccz s LEU 93 CO -0.00 0.22 0.47 -0.70 0.02 0.00 0.00 176.35 176.35 1ccz s GLU 94 N -1.89 4.02 0.57 1.70 2.12 -1.26 -1.79 118.70 122.17 1ccz s GLU 94 Ca 0.19 0.53 -0.18 0.00 0.36 0.00 0.00 54.97 55.87 1ccz s GLU 94 Cb -0.11 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 1ccz s GLU 94 CO 0.11 0.67 1.11 -1.64 -0.54 0.00 0.00 175.26 174.97 1ccz s MET 95 N -1.12 3.27 0.56 4.30 -1.94 -1.26 -2.26 119.30 120.85 1ccz s MET 95 Ca 0.26 1.51 -0.17 0.00 -1.71 0.00 0.00 55.69 55.58 1ccz s MET 95 Cb -0.18 -2.00 -0.05 0.00 2.01 0.00 0.00 34.83 34.61 1ccz s MET 95 CO 0.16 -0.89 1.04 0.14 -0.01 0.00 0.00 175.02 175.46 1ccz s VAL 96 N -1.97 3.89 0.38 -6.03 -7.23 -1.26 -3.00 120.40 105.18 1ccz s VAL 96 Ca 0.70 0.96 0.02 0.00 -1.81 0.00 0.00 61.98 61.85 1ccz s VAL 96 Cb -0.22 -3.44 0.07 0.00 0.56 0.00 0.00 36.38 33.35 1ccz s VAL 96 CO 0.30 -0.47 0.52 -1.54 -0.31 0.00 0.00 175.10 173.60 1ccz n SER 97 N -1.74 0.91 -4.71 4.85 3.41 -1.10 -4.86 113.62 110.38 1ccz n SER 97 Ca 0.09 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.56 1ccz n SER 97 Cb 0.53 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1ccz n SER 97 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ccz s LYS 98 N -3.75 4.58 0.71 4.33 2.20 -1.26 -4.65 119.74 121.89 1ccz s LYS 98 Ca 0.36 1.44 -0.15 0.00 -0.36 0.00 0.00 55.97 57.26 1ccz s LYS 98 Cb -0.02 -3.44 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1ccz s LYS 98 CO 0.24 -0.01 1.17 -2.14 -0.36 0.00 0.00 175.35 174.25 1ccz s PRO 99 N 0.84 2.32 -0.08 4.03 0.02 -1.26 -4.73 135.00 136.13 1ccz s PRO 99 Ca 0.51 1.64 0.02 0.00 0.02 0.00 0.00 61.00 63.20 1ccz s PRO 99 Cb -0.22 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 1ccz s PRO 99 CO 0.28 -1.67 -0.15 -1.64 -0.33 0.00 0.00 177.00 173.50 1ccz s MET 100 N -3.98 2.86 -0.09 5.54 -1.94 0.43 -4.61 119.30 117.51 1ccz s MET 100 Ca 0.72 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 54.02 1ccz s MET 100 Cb -0.26 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.11 1ccz s MET 100 CO 0.44 0.44 -0.18 0.42 -0.01 0.00 0.00 175.02 176.12 1ccz s ILE 101 N -0.25 2.60 0.21 2.53 1.01 -1.26 -1.19 121.20 124.85 1ccz s ILE 101 Ca 0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1ccz s ILE 101 Cb -0.13 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1ccz s ILE 101 CO 0.03 0.55 0.30 -0.72 0.00 0.00 0.00 174.94 175.10 1ccz s TYR 102 N 0.06 0.72 0.24 3.97 1.13 -0.31 -5.01 117.35 118.15 1ccz s TYR 102 Ca -0.08 -1.02 -0.13 0.00 -1.41 0.00 0.00 57.07 54.43 1ccz s TYR 102 Cb -0.15 -0.17 -0.00 0.00 -1.10 0.00 0.00 41.96 40.53 1ccz s TYR 102 CO 0.05 -0.80 0.47 1.67 -2.51 0.00 0.00 175.55 174.43 1ccz s TRP 103 N -4.07 0.32 -0.23 -3.49 -2.14 -1.26 -0.25 118.94 107.81 1ccz s TRP 103 Ca 0.29 -0.68 0.01 0.00 2.66 0.00 0.00 56.10 58.38 1ccz s TRP 103 Cb 0.03 0.19 0.06 0.00 -3.10 0.00 0.00 33.47 30.65 1ccz s TRP 103 CO 0.09 -0.97 -0.07 -2.00 -2.66 0.00 0.00 176.95 171.34 1ccz s GLU 104 N -4.00 1.81 0.18 3.25 2.56 0.20 -5.00 118.70 117.70 1ccz s GLU 104 Ca 0.21 -1.00 -0.11 0.00 0.00 0.00 0.00 54.97 54.06 1ccz s GLU 104 Cb -0.00 -2.59 0.08 0.00 2.00 0.00 0.00 34.13 33.62 1ccz s GLU 104 CO 0.07 -0.55 1.71 0.00 -0.56 0.00 0.00 175.26 175.93 1ccz h SER 106 N 0.89 -0.15 -0.43 0.00 4.64 -1.97 -1.93 113.55 114.60 1ccz h SER 106 Ca 0.20 0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.60 1ccz h SER 106 Cb 0.28 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1ccz h SER 106 CO -0.01 -0.05 0.04 -0.46 -0.87 0.00 0.00 176.83 175.48 1ccz n ASN 107 N -5.20 4.47 -4.32 4.97 0.23 -1.23 -4.97 115.26 109.21 1ccz n ASN 107 Ca 0.07 -3.08 -0.33 0.00 -0.53 0.00 0.00 54.58 50.71 1ccz n ASN 107 Cb 0.30 -0.62 -0.09 0.00 -2.08 0.00 0.00 39.78 37.28 1ccz n ASN 107 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ccz n ALA 108 N -0.19 -1.79 -3.19 -2.53 0.00 -0.73 -4.84 120.51 107.24 1ccz n ALA 108 Ca 0.27 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1ccz n ALA 108 Cb 1.07 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 1ccz n ALA 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ccz s THR 109 N -4.08 3.55 -0.13 0.00 2.01 -0.87 -1.14 115.64 114.98 1ccz s THR 109 Ca 0.19 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1ccz s THR 109 Cb -0.11 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1ccz s THR 109 CO 0.98 0.46 0.02 -0.22 -0.69 0.00 0.00 174.62 175.17 1ccz s LEU 110 N 0.86 3.62 -0.00 4.42 1.98 0.75 -0.62 118.68 129.69 1ccz s LEU 110 Ca -0.01 0.08 0.07 0.00 -2.89 0.00 0.00 54.13 51.38 1ccz s LEU 110 Cb -0.15 -1.87 -0.02 0.00 0.66 0.00 0.00 46.19 44.82 1ccz s LEU 110 CO 0.01 0.28 -0.21 -0.89 -1.89 0.00 0.00 176.35 173.65 1ccz s THR 111 N -0.26 1.66 0.01 3.68 2.01 0.65 0.18 115.64 123.57 1ccz s THR 111 Ca 0.07 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.18 1ccz s THR 111 Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1ccz s THR 111 CO 0.02 0.41 -0.23 0.00 -0.69 0.00 0.00 174.62 174.14 1ccz s GLU 113 N -0.84 1.10 -0.11 0.00 -1.05 -0.34 -0.78 118.70 116.69 1ccz s GLU 113 Ca 0.09 -1.05 -0.09 0.00 -0.15 0.00 0.00 54.97 53.78 1ccz s GLU 113 Cb -0.09 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 1ccz s GLU 113 CO 0.00 -0.40 0.28 0.54 0.95 0.00 0.00 175.26 176.63 1ccz s VAL 114 N -3.92 -0.01 -0.12 1.83 0.11 -0.48 -0.43 120.40 117.39 1ccz s VAL 114 Ca 0.12 0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.05 1ccz s VAL 114 Cb 0.03 -0.40 -0.13 0.00 -1.53 0.00 0.00 36.38 34.35 1ccz s VAL 114 CO -0.04 0.01 0.37 0.25 -3.33 0.00 0.00 175.10 172.36 1ccz h LEU 115 N 6.06 0.00-10.18 2.54 5.85 -1.86 -3.45 115.31 114.26 1ccz h LEU 115 Ca -0.29 -0.50 -0.47 0.00 0.84 0.00 0.00 57.88 57.46 1ccz h LEU 115 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1ccz h LEU 115 CO 0.34 0.78 -0.39 -1.61 -0.34 0.00 0.00 178.44 177.23 1ccz s GLU 116 N -1.92 3.45 0.00 1.25 2.02 -1.26 -4.97 118.70 117.27 1ccz s GLU 116 Ca -0.11 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1ccz s GLU 116 Cb -0.01 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1ccz s GLU 116 CO 0.36 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1ccz n GLY 117 N -1.36 3.98 3.78 -1.39 0.00 -1.16 -2.70 105.19 106.35 1ccz n GLY 117 Ca -0.08 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1ccz n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ccz s THR 118 N -1.35 5.15 -1.24 2.61 2.01 -0.96 -4.58 115.64 117.27 1ccz s THR 118 Ca 0.00 0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 1ccz s THR 118 Cb 0.00 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1ccz s THR 118 CO 0.00 0.57 0.63 0.47 -0.69 0.00 0.00 174.62 175.60 1ccz n ASP 119 N 2.45 -3.59 -4.84 3.53 8.00 -1.26 -4.77 116.55 116.07 1ccz n ASP 119 Ca -0.19 -1.16 -0.34 0.00 0.71 0.00 0.00 54.79 53.82 1ccz n ASP 119 Cb 0.54 -2.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.10 1ccz n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ccz s VAL 120 N -3.64 4.68 -0.05 2.53 1.01 -1.26 -4.61 120.40 119.06 1ccz s VAL 120 Ca 0.38 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.39 1ccz s VAL 120 Cb -0.17 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1ccz s VAL 120 CO 0.92 -0.03 -0.17 -0.70 0.00 0.00 0.00 175.10 175.13 1ccz s GLU 121 N -2.60 1.82 -0.14 2.72 2.12 -0.43 -3.07 118.70 119.12 1ccz s GLU 121 Ca 0.49 -0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.18 1ccz s GLU 121 Cb -0.12 -1.55 -0.04 0.00 0.26 0.00 0.00 34.13 32.67 1ccz s GLU 121 CO 0.19 0.21 0.07 -0.51 -0.54 0.00 0.00 175.26 174.68 1ccz s LEU 122 N 0.14 3.92 -0.07 2.70 1.43 -0.12 -1.04 118.68 125.64 1ccz s LEU 122 Ca -0.06 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1ccz s LEU 122 Cb -0.12 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1ccz s LEU 122 CO 0.03 0.31 -0.18 -0.54 0.23 0.00 0.00 176.35 176.19 1ccz s LYS 123 N -0.42 2.28 -0.08 1.70 1.02 0.68 -1.31 119.74 123.60 1ccz s LYS 123 Ca 0.10 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1ccz s LYS 123 Cb -0.12 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1ccz s LYS 123 CO 0.02 0.14 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.32 1ccz s LEU 124 N 0.39 2.99 0.05 3.17 2.96 0.25 -0.23 118.68 128.26 1ccz s LEU 124 Ca -0.14 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1ccz s LEU 124 Cb -0.16 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1ccz s LEU 124 CO 0.05 0.31 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.96 1ccz s TYR 125 N -0.48 1.05 -0.13 5.38 1.51 0.14 -0.43 117.35 124.39 1ccz s TYR 125 Ca 0.07 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1ccz s TYR 125 Cb -0.12 -0.61 0.05 0.00 -0.11 0.00 0.00 41.96 41.17 1ccz s TYR 125 CO 0.02 0.02 0.04 -1.14 -1.11 0.00 0.00 175.55 173.38 1ccz s GLN 126 N -1.43 0.38 5.22 -0.62 0.74 -0.50 -0.04 119.66 123.40 1ccz s GLN 126 Ca -0.03 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.31 1ccz s GLN 126 Cb -0.09 -1.50 0.00 0.00 1.10 0.00 0.00 33.01 32.52 1ccz s GLN 126 CO 0.01 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 1ccz n GLY 127 N 5.17 1.46 2.05 2.59 0.00 -1.19 -2.31 105.19 112.97 1ccz n GLY 127 Ca -0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1ccz n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ccz n LYS 128 N 12.81 3.19 -4.82 1.61 2.85 -1.26 -4.92 118.16 127.62 1ccz n LYS 128 Ca 0.00 -2.95 -0.33 0.00 -1.05 0.00 0.00 58.31 53.99 1ccz n LYS 128 Cb 0.00 -2.18 -0.15 0.00 -0.65 0.00 0.00 35.03 32.05 1ccz n LYS 128 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1ccz s GLU 129 N -2.99 3.28 -0.50 -1.58 2.12 -0.98 -5.07 118.70 112.98 1ccz s GLU 129 Ca 0.54 -0.74 -0.25 0.00 0.36 0.00 0.00 54.97 54.88 1ccz s GLU 129 Cb 0.44 -2.56 0.03 0.00 0.26 0.00 0.00 34.13 32.30 1ccz s GLU 129 CO 0.12 0.16 0.93 -1.58 -0.54 0.00 0.00 175.26 174.35 1ccz s HIS 130 N 0.45 2.87 -0.01 5.30 5.65 -1.26 -1.41 115.29 126.87 1ccz s HIS 130 Ca -0.11 0.20 -0.16 0.00 0.25 0.00 0.00 55.06 55.23 1ccz s HIS 130 Cb -0.16 -4.00 -0.34 0.00 -1.18 0.00 0.00 32.58 26.90 1ccz s HIS 130 CO 0.05 -1.21 0.88 -0.07 -0.65 0.00 0.00 174.74 173.75 1ccz h LEU 131 N 10.73 0.71 -7.12 8.88 3.38 -1.11 -3.49 115.31 127.29 1ccz h LEU 131 Ca -0.25 -0.93 0.18 0.00 0.09 0.00 0.00 57.88 56.97 1ccz h LEU 131 Cb 1.08 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1ccz h LEU 131 CO 1.05 1.67 0.60 0.00 0.09 0.00 0.00 178.44 181.85 1ccz s ARG 132 N -2.56 0.71 0.01 1.13 1.70 -1.20 -5.01 118.95 113.73 1ccz s ARG 132 Ca -0.12 -0.30 0.01 0.00 -0.47 0.00 0.00 55.73 54.85 1ccz s ARG 132 Cb 0.04 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1ccz s ARG 132 CO 0.90 -0.31 -0.05 -1.12 -1.08 0.00 0.00 175.30 173.64 1ccz s SER 133 N -2.51 0.53 -0.11 -2.89 0.01 -1.26 -0.58 113.70 106.88 1ccz s SER 133 Ca 0.08 -0.26 -0.06 0.00 1.31 0.00 0.00 55.95 57.01 1ccz s SER 133 Cb -0.01 -0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.27 1ccz s SER 133 CO -0.06 -0.07 0.27 -0.22 0.41 0.00 0.00 173.24 173.58 1ccz s LEU 134 N -0.69 0.40 -1.40 2.44 2.96 -0.43 -4.98 118.68 116.98 1ccz s LEU 134 Ca -0.04 0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 54.32 1ccz s LEU 134 Cb -0.05 0.85 0.08 0.00 0.50 0.00 0.00 46.19 47.57 1ccz s LEU 134 CO -0.00 -0.16 2.08 -1.14 -1.32 0.00 0.00 176.35 175.81 1ccz n ARG 135 N 4.08 3.08 -3.91 1.98 0.63 -1.26 -0.94 116.66 120.32 1ccz n ARG 135 Ca -0.24 -2.92 -0.09 0.00 -0.92 0.00 0.00 57.85 53.69 1ccz n ARG 135 Cb 0.54 -3.21 -0.04 0.00 0.45 0.00 0.00 32.46 30.19 1ccz n ARG 135 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1ccz s GLN 136 N 2.57 1.57 0.00 -0.14 -0.21 -1.17 -4.94 119.66 117.34 1ccz s GLN 136 Ca 0.46 -1.11 0.23 0.00 0.02 0.00 0.00 55.36 54.96 1ccz s GLN 136 Cb 0.12 0.52 0.47 0.00 1.00 0.00 0.00 33.01 35.11 1ccz s GLN 136 CO -0.05 -0.68 1.42 1.63 -2.12 0.00 0.00 175.29 175.50 1ccz n LYS 137 N -0.39 2.44 -3.83 2.91 5.02 -1.26 -4.02 118.16 119.02 1ccz n LYS 137 Ca -0.04 -2.17 -0.12 0.00 -2.02 0.00 0.00 58.31 53.96 1ccz n LYS 137 Cb 0.61 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.00 1ccz n LYS 137 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ccz s THR 138 N -1.51 0.03 -0.17 -0.18 -1.32 -1.26 -1.38 115.64 109.85 1ccz s THR 138 Ca 0.38 -0.23 -0.10 0.00 -1.21 0.00 0.00 61.69 60.53 1ccz s THR 138 Cb 0.22 -0.32 0.06 0.00 -1.51 0.00 0.00 72.50 70.95 1ccz s THR 138 CO 0.31 -0.13 0.42 -0.32 -2.21 0.00 0.00 174.62 172.69 1ccz s MET 139 N -0.40 0.41 0.26 7.08 0.00 0.04 -4.99 119.30 121.70 1ccz s MET 139 Ca -0.05 0.77 0.10 0.00 0.00 0.00 0.00 55.69 56.52 1ccz s MET 139 Cb -0.03 0.02 -0.05 0.00 0.00 0.00 0.00 34.83 34.77 1ccz s MET 139 CO 0.01 -0.14 -0.09 -1.12 0.00 0.00 0.00 175.02 173.68 1ccz s SER 140 N 1.25 4.16 -0.19 1.11 0.01 -1.26 -0.51 113.70 118.26 1ccz s SER 140 Ca -0.08 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 56.28 1ccz s SER 140 Cb -0.08 -0.63 0.06 0.00 0.21 0.00 0.00 66.02 65.58 1ccz s SER 140 CO -0.11 0.03 0.48 -0.47 0.41 0.00 0.00 173.24 173.57 1ccz s TYR 141 N -2.32 -0.69 -0.35 2.43 5.04 0.13 -4.97 117.35 116.62 1ccz s TYR 141 Ca 0.30 1.46 -0.21 0.00 -2.44 0.00 0.00 57.07 56.18 1ccz s TYR 141 Cb -0.06 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.58 1ccz s TYR 141 CO 0.18 -0.37 0.68 -0.65 -1.34 0.00 0.00 175.55 174.05 1ccz s GLN 142 N 1.28 3.72 0.49 4.97 -0.21 -1.26 -0.18 119.66 128.48 1ccz s GLN 142 Ca -0.08 0.16 -0.17 0.00 0.02 0.00 0.00 55.36 55.28 1ccz s GLN 142 Cb -0.07 -3.80 -0.09 0.00 1.00 0.00 0.00 33.01 30.05 1ccz s GLN 142 CO -0.12 -0.76 0.97 1.67 -2.12 0.00 0.00 175.29 174.93 1ccz s TRP 143 N 2.82 3.42 -0.12 0.91 -2.14 -0.29 -4.97 118.94 118.57 1ccz s TRP 143 Ca 0.27 1.48 0.14 0.00 2.66 0.00 0.00 56.10 60.66 1ccz s TRP 143 Cb -0.14 -2.79 -0.21 0.00 -3.10 0.00 0.00 33.47 27.23 1ccz s TRP 143 CO 0.15 -0.30 0.14 0.25 -2.66 0.00 0.00 176.95 174.52 1ccz n THR 144 N -1.36 0.78 -3.82 0.66 -2.24 -1.26 -4.97 114.28 102.07 1ccz n THR 144 Ca 0.07 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 1ccz n THR 144 Cb 0.54 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 1ccz n THR 144 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ccz s ASN 145 N -4.64 -0.12 -0.26 3.42 2.20 -1.26 -5.07 114.94 109.22 1ccz s ASN 145 Ca -0.07 -0.62 0.13 0.00 -0.94 0.00 0.00 52.86 51.36 1ccz s ASN 145 Cb 0.06 0.50 0.47 0.00 -2.00 0.00 0.00 41.25 40.28 1ccz s ASN 145 CO 0.65 -0.95 1.17 0.18 -2.94 0.00 0.00 177.10 175.21 1ccz n LEU 146 N -0.26 3.55 0.15 3.54 4.77 -1.26 -4.81 117.00 122.68 1ccz n LEU 146 Ca -0.10 -4.03 0.13 0.00 -0.03 0.00 0.00 56.01 51.98 1ccz n LEU 146 Cb 0.63 -0.10 0.47 0.00 -2.33 0.00 0.00 43.42 42.09 1ccz n LEU 146 CO 0.20 1.65 0.88 0.03 -1.33 0.00 0.00 177.39 178.83 1ccz h ARG 147 N 2.15 0.00 -3.78 3.23 3.08 -2.01 -3.45 114.38 113.59 1ccz h ARG 147 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1ccz h ARG 147 Cb 1.43 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.32 1ccz h ARG 147 CO 0.49 0.00 -0.46 0.00 -1.07 0.00 0.00 179.97 178.93 1ccz s ALA 148 N -3.30 -0.13 0.94 0.04 0.00 -1.26 -5.04 121.76 113.01 1ccz s ALA 148 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 1ccz s ALA 148 Cb 0.10 0.33 0.16 0.00 0.00 0.00 0.00 23.12 23.71 1ccz s ALA 148 CO 0.50 -0.40 1.09 -1.25 0.00 0.00 0.00 175.76 175.71 1ccz s PRO 149 N -3.13 0.89 -0.06 0.00 0.04 -1.26 -4.69 135.00 126.78 1ccz s PRO 149 Ca -0.01 0.67 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 1ccz s PRO 149 Cb 0.02 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1ccz s PRO 149 CO -0.07 -2.46 0.11 -0.06 0.04 0.00 0.00 177.00 174.57 1ccz s PHE 150 N -2.96 3.44 -0.09 0.56 0.08 -0.13 -3.14 117.98 115.75 1ccz s PHE 150 Ca 0.64 0.36 0.04 0.00 0.12 0.00 0.00 56.93 58.09 1ccz s PHE 150 Cb -0.18 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1ccz s PHE 150 CO 0.57 0.63 -0.21 0.21 -0.10 0.00 0.00 175.22 176.32 1ccz s LYS 151 N -1.36 2.66 -0.10 0.44 2.20 0.94 -0.99 119.74 123.53 1ccz s LYS 151 Ca 0.19 -0.75 0.04 0.00 -0.36 0.00 0.00 55.97 55.08 1ccz s LYS 151 Cb -0.12 -2.05 -0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1ccz s LYS 151 CO 0.09 0.15 -0.23 0.00 -0.36 0.00 0.00 175.35 175.00 1ccz s LYS 153 N 0.37 2.90 -0.20 0.00 2.20 0.68 -1.10 119.74 124.59 1ccz s LYS 153 Ca -0.18 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.55 1ccz s LYS 153 Cb -0.18 -2.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1ccz s LYS 153 CO 0.08 0.31 0.04 0.00 -0.36 0.00 0.00 175.35 175.42 1ccz s ALA 154 N 0.05 3.22 -0.00 3.13 0.00 0.52 -0.23 121.76 128.44 1ccz s ALA 154 Ca -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1ccz s ALA 154 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 1ccz s ALA 154 CO 0.05 -0.06 0.04 0.54 0.00 0.00 0.00 175.76 176.34 1ccz s VAL 155 N 0.83 0.06 0.32 0.00 0.11 -0.20 -1.56 120.40 119.95 1ccz s VAL 155 Ca 0.02 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1ccz s VAL 155 Cb -0.14 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1ccz s VAL 155 CO 0.02 -0.28 0.40 0.54 -3.33 0.00 0.00 175.10 172.45 1ccz s ASN 156 N -0.88 0.99 0.58 3.54 2.20 -0.60 -1.31 114.94 119.45 1ccz s ASN 156 Ca -0.10 -1.51 0.28 0.00 -0.94 0.00 0.00 52.86 50.59 1ccz s ASN 156 Cb -0.06 0.61 1.49 0.00 -2.00 0.00 0.00 41.25 41.29 1ccz s ASN 156 CO 0.00 -1.19 1.94 0.03 -2.94 0.00 0.00 177.10 174.93 1ccz h ARG 157 N 2.17 0.00 -0.05 3.55 2.47 -1.86 -2.83 114.38 117.83 1ccz h ARG 157 Ca -0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1ccz h ARG 157 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1ccz h ARG 157 CO 0.39 0.00 0.00 1.33 0.56 0.00 0.00 179.97 182.25 1ccz n VAL 158 N -3.88 0.18 -3.78 2.04 0.24 -1.26 -5.04 118.33 106.83 1ccz n VAL 158 Ca 0.09 -0.59 -0.02 0.00 -2.04 0.00 0.00 64.34 61.77 1ccz n VAL 158 Cb 0.64 1.05 -0.00 0.00 -1.47 0.00 0.00 33.84 34.06 1ccz n VAL 158 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ccz s SER 159 N -0.73 -0.10 -0.24 -1.34 1.04 -1.07 -4.97 113.70 106.29 1ccz s SER 159 Ca 0.11 -0.45 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 1ccz s SER 159 Cb 0.07 0.44 0.12 0.00 0.10 0.00 0.00 66.02 66.75 1ccz s SER 159 CO 0.10 -0.84 1.01 0.00 0.98 0.00 0.00 173.24 174.49 1ccz s GLN 160 N -2.78 0.55 -0.02 4.02 -2.07 -1.26 -1.55 119.66 116.55 1ccz s GLN 160 Ca 0.16 0.47 -0.10 0.00 -1.82 0.00 0.00 55.36 54.07 1ccz s GLN 160 Cb -0.01 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.19 1ccz s GLN 160 CO 0.02 -0.10 0.20 -1.21 -1.32 0.00 0.00 175.29 172.88 1ccz s GLU 161 N -0.18 0.50 0.19 9.60 0.41 -0.60 -5.00 118.70 123.62 1ccz s GLU 161 Ca 0.01 -0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.37 1ccz s GLU 161 Cb -0.04 0.22 -0.05 0.00 -1.78 0.00 0.00 34.13 32.48 1ccz s GLU 161 CO -0.03 -0.12 0.04 -1.54 -0.49 0.00 0.00 175.26 173.12 1ccz s SER 162 N -1.11 1.00 0.02 -0.19 1.04 -1.26 -0.36 113.70 112.85 1ccz s SER 162 Ca -0.12 -1.25 0.01 0.00 0.48 0.00 0.00 55.95 55.08 1ccz s SER 162 Cb -0.06 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 1ccz s SER 162 CO 0.02 -0.65 -0.05 -0.70 0.98 0.00 0.00 173.24 172.83 1ccz s GLU 163 N -3.98 0.40 -0.05 4.02 2.56 -0.26 -4.68 118.70 116.70 1ccz s GLU 163 Ca 0.29 -0.52 0.03 0.00 0.00 0.00 0.00 54.97 54.77 1ccz s GLU 163 Cb 0.07 -0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.00 1ccz s GLU 163 CO 0.07 0.04 -0.14 1.41 -0.56 0.00 0.00 175.26 176.08 1ccz s MET 164 N -1.06 1.55 -0.01 4.30 -2.45 -1.26 -1.04 119.30 119.33 1ccz s MET 164 Ca -0.08 -0.47 -0.04 0.00 -1.25 0.00 0.00 55.69 53.85 1ccz s MET 164 Cb -0.07 -1.34 0.00 0.00 1.25 0.00 0.00 34.83 34.67 1ccz s MET 164 CO -0.00 0.15 0.08 -1.21 1.05 0.00 0.00 175.02 175.09 1ccz s GLU 165 N 0.26 0.28 -0.18 4.11 0.41 -0.17 -4.98 118.70 118.43 1ccz s GLU 165 Ca -0.07 -0.20 -0.14 0.00 -0.41 0.00 0.00 54.97 54.15 1ccz s GLU 165 Cb -0.12 0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.30 1ccz s GLU 165 CO 0.02 -0.05 0.31 0.08 -0.49 0.00 0.00 175.26 175.13 1ccz s VAL 166 N -0.74 5.28 0.01 2.63 1.01 -1.26 -0.96 120.40 126.37 1ccz s VAL 166 Ca -0.08 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1ccz s VAL 166 Cb -0.05 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ccz s VAL 166 CO 0.00 0.34 1.09 -0.69 0.00 0.00 0.00 175.10 175.84 1ccz s VAL 167 N 0.82 4.48 -0.56 2.92 1.01 -1.26 -5.01 120.40 122.81 1ccz s VAL 167 Ca 0.16 1.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 1ccz s VAL 167 Cb -0.14 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.25 1ccz s VAL 167 CO 0.05 0.12 0.39 0.21 0.00 0.00 0.00 175.10 175.88 1ccz s ASN 168 N 1.07 5.48 0.05 3.32 2.47 -1.26 -5.06 114.94 121.01 1ccz s ASN 168 Ca 0.55 -2.44 0.04 0.00 0.42 0.00 0.00 52.86 51.43 1ccz s ASN 168 Cb -0.25 -1.91 -0.02 0.00 -1.45 0.00 0.00 41.25 37.62 1ccz s ASN 168 CO 0.27 -0.50 -0.11 0.00 -3.72 0.00 0.00 177.10 173.04 1ccz s PRO 170 N -1.39 3.86 0.00 0.00 0.02 -1.26 -5.19 135.00 131.03 1ccz s PRO 170 Ca -0.03 2.36 0.27 0.00 0.02 0.00 0.00 61.00 63.62 1ccz s PRO 170 Cb -0.09 -2.75 1.59 0.00 0.02 0.00 0.00 34.50 33.27 1ccz s PRO 170 CO 0.01 -0.66 1.94 0.39 -0.33 0.00 0.00 177.00 178.35