#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ptz n THR 2 N 0.00 0.04 -3.97 0.00 5.66 -1.26 -4.63 114.28 110.12 1ptz n THR 2 Ca 0.00 -0.29 -0.12 0.00 -3.05 0.00 0.00 64.05 60.59 1ptz n THR 2 Cb 0.00 0.17 -0.13 0.00 -1.55 0.00 0.00 70.33 68.82 1ptz n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ptz s LYS 3 N -2.82 0.21 0.19 1.09 1.02 -1.26 -0.13 119.74 118.04 1ptz s LYS 3 Ca -0.05 -0.28 -0.08 0.00 0.02 0.00 0.00 55.97 55.59 1ptz s LYS 3 Cb 0.08 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1ptz s LYS 3 CO 0.51 0.01 0.30 0.00 -0.92 0.00 0.00 175.35 175.24 1ptz s ALA 4 N -0.57 0.19 -0.02 5.17 0.00 -0.40 -1.42 121.76 124.72 1ptz s ALA 4 Ca -0.05 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 1ptz s ALA 4 Cb -0.04 1.01 0.04 0.00 0.00 0.00 0.00 23.12 24.13 1ptz s ALA 4 CO -0.00 -0.68 0.42 0.54 0.00 0.00 0.00 175.76 176.04 1ptz s VAL 5 N -4.02 0.04 -0.07 0.00 0.11 0.03 -0.43 120.40 116.06 1ptz s VAL 5 Ca 0.23 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1ptz s VAL 5 Cb 0.03 -0.76 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1ptz s VAL 5 CO 0.05 -0.19 -0.01 0.00 -3.33 0.00 0.00 175.10 171.62 1ptz s ALA 6 N -1.43 0.77 -0.42 1.54 0.00 -0.19 -0.76 121.76 121.26 1ptz s ALA 6 Ca -0.12 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 1ptz s ALA 6 Cb -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1ptz s ALA 6 CO 0.05 -0.40 0.47 0.08 0.00 0.00 0.00 175.76 175.96 1ptz s VAL 7 N 1.82 5.04 -0.11 0.00 1.01 -1.26 -1.26 120.40 125.65 1ptz s VAL 7 Ca 0.03 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1ptz s VAL 7 Cb -0.12 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1ptz s VAL 7 CO -0.05 -0.44 0.87 -0.76 0.00 0.00 0.00 175.10 174.71 1ptz s LEU 8 N 2.25 4.25 -0.00 3.92 1.43 0.81 -4.00 118.68 127.33 1ptz s LEU 8 Ca 0.14 1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 54.48 1ptz s LEU 8 Cb -0.17 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 42.74 1ptz s LEU 8 CO 0.14 -0.33 0.17 -0.54 0.23 0.00 0.00 176.35 176.02 1ptz s LYS 9 N 1.69 0.51 0.00 1.70 1.02 -0.44 -2.23 119.74 121.99 1ptz s LYS 9 Ca 0.42 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1ptz s LYS 9 Cb -0.18 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1ptz s LYS 9 CO 0.17 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1ptz n GLY 10 N 1.48 4.67 0.05 -3.33 0.00 -1.25 -1.48 105.19 105.33 1ptz n GLY 10 Ca -0.22 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1ptz n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ptz n ASP 11 N -0.05 0.60 0.00 1.61 8.00 -1.26 -4.92 116.55 120.54 1ptz n ASP 11 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1ptz n ASP 11 Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1ptz n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ptz n GLY 12 N 1.39 3.36 0.01 0.44 0.00 -1.26 -5.03 105.19 104.09 1ptz n GLY 12 Ca 0.04 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1ptz n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ptz n PRO 13 N 0.00 0.09 -2.17 1.61 -0.04 -1.26 -4.88 135.00 128.36 1ptz n PRO 13 Ca 0.00 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1ptz n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1ptz n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ptz s VAL 14 N -2.92 3.63 0.13 0.52 1.01 -1.26 -4.41 120.40 117.10 1ptz s VAL 14 Ca 0.16 0.99 -0.21 0.00 0.00 0.00 0.00 61.98 62.92 1ptz s VAL 14 Cb 0.19 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.99 1ptz s VAL 14 CO 0.56 -0.02 0.52 0.00 0.00 0.00 0.00 175.10 176.16 1ptz s GLN 15 N 2.69 1.17 0.00 2.72 -2.07 -0.76 -3.74 119.66 119.67 1ptz s GLN 15 Ca 0.66 -0.52 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 1ptz s GLN 15 Cb -0.32 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 1ptz s GLN 15 CO 0.27 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 1ptz n GLY 16 N -0.21 -1.85 2.94 2.60 0.00 -0.95 -0.14 105.19 107.58 1ptz n GLY 16 Ca -0.17 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 1ptz n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ptz s ILE 17 N -2.16 0.62 -0.11 -0.61 1.09 -0.91 -0.14 121.20 118.99 1ptz s ILE 17 Ca 0.00 -0.23 0.03 0.00 -1.10 0.00 0.00 60.65 59.35 1ptz s ILE 17 Cb 0.00 -0.59 0.01 0.00 -1.06 0.00 0.00 42.46 40.81 1ptz s ILE 17 CO 0.00 0.22 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.22 1ptz s ILE 18 N 0.52 1.89 0.02 2.92 -1.09 -0.38 -2.36 121.20 122.72 1ptz s ILE 18 Ca -0.07 -0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 57.43 1ptz s ILE 18 Cb -0.11 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1ptz s ILE 18 CO 0.00 0.52 0.18 0.20 -1.23 0.00 0.00 174.94 174.61 1ptz s ASN 19 N 0.60 6.26 -0.01 3.58 0.01 0.18 -1.03 114.94 124.54 1ptz s ASN 19 Ca -0.13 0.28 0.06 0.00 -0.71 0.00 0.00 52.86 52.36 1ptz s ASN 19 Cb -0.17 -1.93 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 1ptz s ASN 19 CO 0.04 0.23 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.30 1ptz s PHE 20 N -1.38 1.70 -0.06 2.20 0.08 0.43 -1.46 117.98 119.49 1ptz s PHE 20 Ca 0.30 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.99 1ptz s PHE 20 Cb -0.13 -1.09 0.04 0.00 -0.57 0.00 0.00 43.02 41.28 1ptz s PHE 20 CO 0.22 -0.02 0.13 -2.00 -0.10 0.00 0.00 175.22 173.45 1ptz s GLU 21 N -0.53 0.05 -0.34 0.44 2.12 -0.28 -1.28 118.70 118.89 1ptz s GLU 21 Ca 0.07 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.79 1ptz s GLU 21 Cb -0.07 -0.24 0.12 0.00 0.26 0.00 0.00 34.13 34.20 1ptz s GLU 21 CO -0.00 -0.21 0.17 -1.14 -0.54 0.00 0.00 175.26 173.53 1ptz s GLN 22 N 1.52 0.62 0.56 4.30 0.74 0.82 -0.77 119.66 127.45 1ptz s GLN 22 Ca -0.05 -1.18 0.34 0.00 0.05 0.00 0.00 55.36 54.52 1ptz s GLN 22 Cb -0.12 -1.60 1.54 0.00 1.10 0.00 0.00 33.01 33.93 1ptz s GLN 22 CO -0.05 -1.10 2.05 0.87 -0.55 0.00 0.00 175.29 176.51 1ptz h LYS 23 N 7.57 0.00 -5.37 1.67 6.56 -1.80 -3.40 116.57 121.80 1ptz h LYS 23 Ca -0.06 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 59.06 1ptz h LYS 23 Cb 0.98 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.38 1ptz h LYS 23 CO 0.39 0.03 -0.80 -2.00 -2.06 0.00 0.00 179.45 175.01 1ptz s GLU 24 N -3.80 1.02 -0.11 3.15 2.56 -1.26 -5.08 118.70 115.18 1ptz s GLU 24 Ca -0.00 -0.71 -0.35 0.00 0.00 0.00 0.00 54.97 53.90 1ptz s GLU 24 Cb 0.10 -1.03 -0.13 0.00 2.00 0.00 0.00 34.13 35.08 1ptz s GLU 24 CO 0.53 0.26 1.82 0.45 -0.56 0.00 0.00 175.26 177.77 1ptz n SER 25 N 2.10 3.19 -2.39 -1.70 2.88 -1.26 -0.93 113.62 115.51 1ptz n SER 25 Ca -0.17 1.00 -0.14 0.00 -1.33 0.00 0.00 58.87 58.23 1ptz n SER 25 Cb 0.55 -1.33 -0.01 0.00 -0.75 0.00 0.00 64.21 62.67 1ptz n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ptz n ASN 26 N 6.10 -4.40 -2.91 -3.46 5.03 -1.26 -4.97 115.26 109.39 1ptz n ASN 26 Ca 0.23 0.15 -0.07 0.00 0.87 0.00 0.00 54.58 55.76 1ptz n ASN 26 Cb 0.26 -3.73 0.03 0.00 -1.02 0.00 0.00 39.78 35.33 1ptz n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ptz n GLY 27 N -0.84 1.35 3.75 7.41 0.00 -0.10 -5.05 105.19 111.71 1ptz n GLY 27 Ca -0.17 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.40 1ptz n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ptz s PRO 28 N -3.07 2.96 -0.16 1.61 0.04 -1.26 -4.86 135.00 130.26 1ptz s PRO 28 Ca 0.21 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 1ptz s PRO 28 Cb -0.01 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1ptz s PRO 28 CO 0.14 -1.28 -0.10 0.08 0.04 0.00 0.00 177.00 175.88 1ptz s VAL 29 N -1.41 3.19 -0.08 -0.36 1.01 0.60 -4.53 120.40 118.82 1ptz s VAL 29 Ca 0.76 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1ptz s VAL 29 Cb -0.37 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1ptz s VAL 29 CO 0.41 0.49 0.51 -0.54 0.00 0.00 0.00 175.10 175.97 1ptz s LYS 30 N 0.72 4.30 -0.18 2.72 -0.14 0.05 -1.23 119.74 125.99 1ptz s LYS 30 Ca -0.05 0.54 0.01 0.00 -1.36 0.00 0.00 55.97 55.11 1ptz s LYS 30 Cb -0.15 -3.40 0.03 0.00 -1.68 0.00 0.00 37.83 32.64 1ptz s LYS 30 CO 0.02 0.25 -0.12 0.08 -0.76 0.00 0.00 175.35 174.81 1ptz s VAL 31 N 0.31 1.64 0.02 3.17 1.01 0.60 -1.12 120.40 126.03 1ptz s VAL 31 Ca 0.28 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1ptz s VAL 31 Cb -0.16 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1ptz s VAL 31 CO 0.13 0.28 0.25 -1.66 0.00 0.00 0.00 175.10 174.10 1ptz s TRP 32 N 1.42 -0.06 -4.36 5.22 -2.14 -0.53 0.26 118.94 118.75 1ptz s TRP 32 Ca 0.01 -0.04 0.00 0.00 2.66 0.00 0.00 56.10 58.73 1ptz s TRP 32 Cb -0.15 0.04 0.00 0.00 -3.10 0.00 0.00 33.47 30.26 1ptz s TRP 32 CO -0.09 -0.43 0.00 0.41 -2.66 0.00 0.00 176.95 174.18 1ptz n GLY 33 N 0.88 -0.51 3.19 3.67 0.00 -0.66 0.49 105.19 112.26 1ptz n GLY 33 Ca -0.20 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1ptz n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ptz s SER 34 N -4.00 -0.14 -0.04 1.61 1.04 -0.99 -0.47 113.70 110.71 1ptz s SER 34 Ca 0.00 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1ptz s SER 34 Cb 0.00 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1ptz s SER 34 CO 0.00 -0.38 -0.10 -0.63 0.98 0.00 0.00 173.24 173.11 1ptz s ILE 35 N -1.17 0.89 0.40 -1.02 1.01 -0.64 -2.14 121.20 118.52 1ptz s ILE 35 Ca -0.12 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1ptz s ILE 35 Cb -0.06 -0.82 -0.08 0.00 0.01 0.00 0.00 42.46 41.52 1ptz s ILE 35 CO 0.03 0.29 -0.00 -1.59 0.00 0.00 0.00 174.94 173.67 1ptz s LYS 36 N 0.51 1.92 0.00 2.79 -2.85 0.80 -0.54 119.74 122.37 1ptz s LYS 36 Ca -0.09 -2.08 0.00 0.00 -1.00 0.00 0.00 55.97 52.80 1ptz s LYS 36 Cb -0.13 -1.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 1ptz s LYS 36 CO 0.02 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.84 1ptz n GLY 37 N -0.93 0.60 3.96 0.59 0.00 -1.08 -1.83 105.19 106.50 1ptz n GLY 37 Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1ptz n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ptz s LEU 38 N 0.00 3.22 -0.12 0.99 1.43 -0.76 -4.25 118.68 119.19 1ptz s LEU 38 Ca 0.00 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 1ptz s LEU 38 Cb 0.00 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 1ptz s LEU 38 CO 0.00 -1.19 0.30 -0.89 0.23 0.00 0.00 176.35 174.80 1ptz s THR 39 N -2.83 5.27 0.12 5.49 2.01 -1.26 -4.17 115.64 120.27 1ptz s THR 39 Ca 0.57 0.57 -0.34 0.00 0.31 0.00 0.00 61.69 62.80 1ptz s THR 39 Cb -0.10 -3.62 -0.17 0.00 0.01 0.00 0.00 72.50 68.62 1ptz s THR 39 CO 0.40 0.46 1.06 1.21 -0.69 0.00 0.00 174.62 177.05 1ptz n GLU 40 N 2.99 0.69 0.00 4.92 2.13 -1.26 -4.67 120.64 125.44 1ptz n GLU 40 Ca -0.13 0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1ptz n GLU 40 Cb 0.52 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1ptz n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ptz n GLY 41 N 1.93 0.69 3.74 8.31 0.00 -0.51 -4.92 105.19 114.43 1ptz n GLY 41 Ca 0.17 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1ptz n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ptz s LEU 42 N 0.00 4.50 -0.04 0.99 1.43 -1.26 -1.25 118.68 123.05 1ptz s LEU 42 Ca 0.00 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 1ptz s LEU 42 Cb 0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1ptz s LEU 42 CO 0.00 -0.20 -0.02 -0.13 0.23 0.00 0.00 176.35 176.24 1ptz s ARG 43 N -0.51 0.51 0.44 1.70 1.81 -0.57 -3.15 118.95 119.18 1ptz s ARG 43 Ca 0.48 0.01 -0.23 0.00 -1.72 0.00 0.00 55.73 54.27 1ptz s ARG 43 Cb -0.29 -0.63 -0.10 0.00 -0.45 0.00 0.00 34.95 33.47 1ptz s ARG 43 CO 0.35 -0.12 0.87 0.41 -0.68 0.00 0.00 175.30 176.13 1ptz n GLY 44 N 4.12 -0.60 2.70 -3.53 0.00 0.16 -1.56 105.19 106.49 1ptz n GLY 44 Ca -0.25 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1ptz n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ptz s PHE 45 N -1.36 -0.16 0.12 1.61 5.36 0.12 -0.73 117.98 122.94 1ptz s PHE 45 Ca 0.65 -0.11 -0.02 0.00 -0.96 0.00 0.00 56.93 56.49 1ptz s PHE 45 Cb -0.55 -0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 41.58 1ptz s PHE 45 CO 0.56 -0.70 0.08 -1.01 -1.46 0.00 0.00 175.22 172.69 1ptz s HIS 46 N 2.27 0.75 -0.26 10.12 3.76 -0.84 -2.44 115.29 128.65 1ptz s HIS 46 Ca 0.07 -1.15 -0.10 0.00 -0.15 0.00 0.00 55.06 53.73 1ptz s HIS 46 Cb -0.15 -0.41 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 1ptz s HIS 46 CO -0.20 -0.53 0.15 0.08 -0.85 0.00 0.00 174.74 173.40 1ptz s VAL 47 N -4.02 5.09 0.30 -0.90 1.01 -0.20 -0.53 120.40 121.16 1ptz s VAL 47 Ca 0.21 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 1ptz s VAL 47 Cb 0.07 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1ptz s VAL 47 CO -0.00 0.29 0.50 -1.00 0.00 0.00 0.00 175.10 174.89 1ptz s HIS 48 N 1.55 3.49 0.15 5.22 3.76 0.32 -1.07 115.29 128.71 1ptz s HIS 48 Ca 0.07 0.35 -0.19 0.00 -0.15 0.00 0.00 55.06 55.14 1ptz s HIS 48 Cb -0.15 -1.88 0.04 0.00 1.11 0.00 0.00 32.58 31.69 1ptz s HIS 48 CO 0.08 0.21 1.68 1.49 -0.85 0.00 0.00 174.74 177.35 1ptz h GLU 49 N 1.18 -0.02 -5.87 1.40 4.81 -0.75 -2.62 114.58 112.72 1ptz h GLU 49 Ca -0.49 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.06 1ptz h GLU 49 Cb 1.21 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.46 1ptz h GLU 49 CO 0.63 -0.01 -0.59 -0.06 -0.73 0.00 0.00 179.01 178.25 1ptz s PHE 50 N -6.20 3.25 -0.76 0.92 0.08 -0.28 -4.63 117.98 110.35 1ptz s PHE 50 Ca -0.14 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 1ptz s PHE 50 Cb 0.12 -1.83 0.12 0.00 -0.57 0.00 0.00 43.02 40.87 1ptz s PHE 50 CO 0.70 0.50 2.53 0.41 -0.10 0.00 0.00 175.22 179.25 1ptz n GLY 51 N 2.20 4.82 3.21 4.36 0.00 -0.94 -3.70 105.19 115.14 1ptz n GLY 51 Ca -0.19 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 1ptz n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ptz s ASP 52 N 0.09 5.14 -0.25 1.61 3.68 -1.26 -4.94 116.67 120.74 1ptz s ASP 52 Ca 0.56 -1.35 0.13 0.00 2.13 0.00 0.00 52.55 54.01 1ptz s ASP 52 Cb 0.33 -1.80 0.63 0.00 -1.45 0.00 0.00 42.92 40.62 1ptz s ASP 52 CO -0.21 -0.34 1.59 -3.20 0.13 0.00 0.00 175.17 173.14 1ptz n ASN 53 N 4.70 4.13 0.25 -0.34 4.05 -1.26 -3.04 115.26 123.75 1ptz n ASN 53 Ca -0.11 -3.21 0.11 0.00 0.45 0.00 0.00 54.58 51.82 1ptz n ASN 53 Cb 0.43 -0.64 0.67 0.00 1.23 0.00 0.00 39.78 41.47 1ptz n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1ptz h THR 54 N 2.14 0.72 -1.17 -0.44 1.35 -1.93 -2.84 112.91 110.74 1ptz h THR 54 Ca 0.13 -0.56 -0.50 0.00 -0.55 0.00 0.00 66.41 64.92 1ptz h THR 54 Cb 1.83 1.34 -0.42 0.00 -1.73 0.00 0.00 68.15 69.18 1ptz h THR 54 CO 0.45 0.14 -0.89 0.00 -0.25 0.00 0.00 175.52 174.97 1ptz n ALA 55 N -2.34 4.48 -0.71 6.62 0.00 -1.26 -5.06 120.51 122.24 1ptz n ALA 55 Ca -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1ptz n ALA 55 Cb 0.24 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1ptz n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ptz n GLY 56 N -0.43 0.89 0.12 0.00 0.00 -1.07 -3.00 105.19 101.70 1ptz n GLY 56 Ca 0.30 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.74 1ptz n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ptz h THR 58 N 0.00 1.26 0.00 0.00 1.35 -1.87 -2.73 112.91 110.92 1ptz h THR 58 Ca 0.00 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1ptz h THR 58 Cb 0.62 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1ptz h THR 58 CO 0.00 0.41 0.00 -1.54 -0.25 0.00 0.00 175.52 174.14 1ptz n SER 59 N -4.15 0.00 0.16 5.36 3.41 -1.23 -2.21 113.62 114.96 1ptz n SER 59 Ca 0.01 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.63 1ptz n SER 59 Cb 0.39 -0.17 0.50 0.00 -0.26 0.00 0.00 64.21 64.67 1ptz n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ptz h ALA 60 N 2.74 1.00 -0.19 7.33 0.00 -1.40 -3.40 119.26 125.34 1ptz h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ptz h ALA 60 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ptz h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ptz n GLY 61 N 0.27 -1.01 3.91 0.00 0.00 -0.94 -1.13 105.19 106.29 1ptz n GLY 61 Ca 0.02 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1ptz n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ptz s PRO 62 N 0.00 0.16 0.42 1.61 0.04 -1.26 -4.67 135.00 131.30 1ptz s PRO 62 Ca 0.00 -0.50 -0.25 0.00 0.04 0.00 0.00 61.00 60.29 1ptz s PRO 62 Cb 0.00 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 1ptz s PRO 62 CO 0.00 -2.73 1.30 -1.01 0.04 0.00 0.00 177.00 174.60 1ptz s HIS 63 N -3.88 2.78 -0.03 0.56 3.76 -1.26 -0.44 115.29 116.78 1ptz s HIS 63 Ca 0.76 1.42 -0.30 0.00 -0.15 0.00 0.00 55.06 56.79 1ptz s HIS 63 Cb -0.03 -3.66 -0.09 0.00 1.11 0.00 0.00 32.58 29.92 1ptz s HIS 63 CO 0.54 -2.11 2.01 0.34 -0.85 0.00 0.00 174.74 174.67 1ptz n PHE 64 N -0.02 2.39 -3.08 1.40 -0.00 -0.23 -4.45 117.46 113.47 1ptz n PHE 64 Ca 0.04 -0.29 -0.19 0.00 -0.00 0.00 0.00 57.45 57.02 1ptz n PHE 64 Cb 0.44 -2.77 -0.03 0.00 -0.00 0.00 0.00 39.48 37.12 1ptz n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1ptz n ASN 65 N 8.15 -0.37 0.22 -2.13 5.15 -1.26 -1.68 115.26 123.34 1ptz n ASN 65 Ca 0.22 -2.96 0.15 0.00 -0.60 0.00 0.00 54.58 51.40 1ptz n ASN 65 Cb 0.40 -0.02 0.72 0.00 -0.53 0.00 0.00 39.78 40.34 1ptz n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ptz h PRO 66 N 3.66 0.00 -0.25 1.20 0.13 -1.96 -2.32 132.00 132.46 1ptz h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ptz h PRO 66 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ptz h PRO 66 CO 0.42 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.47 1ptz n LEU 67 N -2.65 2.95 -3.76 1.56 4.77 -1.26 -4.98 117.00 113.64 1ptz n LEU 67 Ca -0.00 -1.19 -0.25 0.00 -0.03 0.00 0.00 56.01 54.53 1ptz n LEU 67 Cb 0.17 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1ptz n LEU 67 CO 0.20 0.60 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.53 1ptz n SER 68 N 1.20 -2.33 -4.86 -1.43 7.64 -0.88 -5.00 113.62 107.96 1ptz n SER 68 Ca 0.18 -0.93 -0.25 0.00 1.01 0.00 0.00 58.87 58.87 1ptz n SER 68 Cb 0.55 -3.58 -0.03 0.00 -1.01 0.00 0.00 64.21 60.13 1ptz n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ptz s ARG 69 N -6.09 2.30 0.61 1.43 0.52 -1.26 -5.13 118.95 111.32 1ptz s ARG 69 Ca 0.16 -1.91 -0.08 0.00 -0.52 0.00 0.00 55.73 53.38 1ptz s ARG 69 Cb -0.05 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 33.31 1ptz s ARG 69 CO 0.85 -0.42 0.95 0.15 0.02 0.00 0.00 175.30 176.84 1ptz s LYS 70 N -4.16 3.06 0.38 3.54 -0.14 -1.26 -4.73 119.74 116.42 1ptz s LYS 70 Ca 0.37 0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.93 1ptz s LYS 70 Cb -0.01 -2.20 -0.09 0.00 -1.68 0.00 0.00 37.83 33.85 1ptz s LYS 70 CO 0.22 -0.70 1.23 -1.58 -0.76 0.00 0.00 175.35 173.76 1ptz s HIS 71 N -3.07 3.04 0.02 3.18 5.65 -0.42 -3.33 115.29 120.36 1ptz s HIS 71 Ca 0.54 1.50 -0.01 0.00 0.25 0.00 0.00 55.06 57.34 1ptz s HIS 71 Cb -0.11 -3.53 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1ptz s HIS 71 CO 0.48 -1.59 0.04 0.41 -0.65 0.00 0.00 174.74 173.42 1ptz n GLY 72 N 0.73 2.37 3.93 1.59 0.00 -1.25 -4.49 105.19 108.07 1ptz n GLY 72 Ca 0.03 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 1ptz n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ptz s GLY 73 N -1.12 1.47 0.54 -0.02 0.00 -1.23 -4.73 107.32 102.23 1ptz s GLY 73 Ca 0.01 -0.81 0.22 0.00 0.00 0.00 0.00 44.72 44.14 1ptz s GLY 73 CO 0.01 -0.67 2.14 -0.56 0.00 0.00 0.00 173.10 174.02 1ptz h PRO 74 N 0.41 0.00 0.00 2.90 0.13 -1.88 -1.36 132.00 132.20 1ptz h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ptz h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ptz h PRO 74 CO 0.60 0.00 -0.10 1.63 -0.23 0.00 0.00 178.00 179.90 1ptz n LYS 75 N -4.30 0.00 -2.90 0.86 4.01 -1.26 -4.86 118.16 109.72 1ptz n LYS 75 Ca -0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 1ptz n LYS 75 Cb 0.21 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.16 1ptz n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ptz s ASP 76 N -3.01 7.09 0.09 4.39 -0.00 -0.51 -4.96 116.67 119.76 1ptz s ASP 76 Ca 0.13 1.64 -0.05 0.00 -0.00 0.00 0.00 52.55 54.28 1ptz s ASP 76 Cb 0.19 -2.51 -0.23 0.00 -0.00 0.00 0.00 42.92 40.37 1ptz s ASP 76 CO 0.57 -0.16 1.18 -0.08 -0.00 0.00 0.00 175.17 176.68 1ptz h GLU 77 N 2.71 0.32 -5.41 8.23 4.57 -1.89 -3.38 114.58 119.73 1ptz h GLU 77 Ca -0.48 -0.47 -0.64 0.00 -1.18 0.00 0.00 59.36 56.59 1ptz h GLU 77 Cb 1.19 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.79 1ptz h GLU 77 CO 0.64 1.19 0.77 -2.00 -1.18 0.00 0.00 179.01 178.43 1ptz s GLU 78 N -2.83 3.34 0.22 1.92 2.56 -1.26 -4.92 118.70 117.73 1ptz s GLU 78 Ca -0.05 -1.16 -0.19 0.00 0.00 0.00 0.00 54.97 53.57 1ptz s GLU 78 Cb 0.07 -4.59 0.03 0.00 2.00 0.00 0.00 34.13 31.65 1ptz s GLU 78 CO 0.88 -1.86 0.59 -0.98 -0.56 0.00 0.00 175.26 173.33 1ptz s ARG 79 N 3.76 1.51 0.40 4.30 1.70 -1.21 -3.97 118.95 125.44 1ptz s ARG 79 Ca 0.29 -0.88 -0.15 0.00 -0.47 0.00 0.00 55.73 54.52 1ptz s ARG 79 Cb -0.10 0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 34.75 1ptz s ARG 79 CO 0.01 -0.66 0.83 -1.01 -1.08 0.00 0.00 175.30 173.39 1ptz s HIS 80 N -3.88 3.40 0.41 5.89 3.76 -1.21 -4.70 115.29 118.96 1ptz s HIS 80 Ca 0.10 1.28 0.10 0.00 -0.15 0.00 0.00 55.06 56.39 1ptz s HIS 80 Cb -0.03 -2.61 0.91 0.00 1.11 0.00 0.00 32.58 31.96 1ptz s HIS 80 CO -0.00 -0.08 2.00 0.28 -0.85 0.00 0.00 174.74 176.08 1ptz h VAL 81 N 1.52 0.99 -0.03 -0.90 2.07 -1.79 -1.79 116.25 116.31 1ptz h VAL 81 Ca -0.48 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1ptz h VAL 81 Cb 1.18 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ptz h VAL 81 CO 0.63 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1ptz n GLY 82 N -1.49 -0.69 3.55 2.17 0.00 -0.68 -4.30 105.19 103.75 1ptz n GLY 82 Ca 0.08 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1ptz n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ptz s ASP 83 N -1.64 6.02 -0.21 1.61 1.01 -0.67 -1.03 116.67 121.76 1ptz s ASP 83 Ca 0.31 -0.37 0.15 0.00 0.71 0.00 0.00 52.55 53.36 1ptz s ASP 83 Cb 0.15 -2.56 0.64 0.00 1.01 0.00 0.00 42.92 42.17 1ptz s ASP 83 CO 0.25 -1.92 1.55 0.18 0.21 0.00 0.00 175.17 175.44 1ptz n LEU 84 N 9.95 4.63 0.00 1.23 4.77 -1.02 -3.78 117.00 132.78 1ptz n LEU 84 Ca 0.07 -3.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 1ptz n LEU 84 Cb 0.50 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1ptz n LEU 84 CO 0.71 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1ptz n GLY 85 N -0.12 3.25 3.26 -0.72 0.00 -1.21 -4.76 105.19 104.88 1ptz n GLY 85 Ca 0.25 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1ptz n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ptz s ASN 86 N -4.00 2.20 0.28 1.61 0.01 -1.26 -0.70 114.94 113.08 1ptz s ASN 86 Ca 0.00 -0.78 0.09 0.00 -0.71 0.00 0.00 52.86 51.46 1ptz s ASN 86 Cb 0.00 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 1ptz s ASN 86 CO 0.00 -0.08 0.06 0.68 -1.51 0.00 0.00 177.10 176.25 1ptz s VAL 87 N -1.85 3.52 -0.21 1.60 -7.23 -0.60 -4.91 120.40 110.73 1ptz s VAL 87 Ca 0.09 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1ptz s VAL 87 Cb -0.07 -2.96 0.03 0.00 0.56 0.00 0.00 36.38 33.95 1ptz s VAL 87 CO 0.04 -0.33 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.44 1ptz s THR 88 N -2.32 2.16 0.07 5.32 2.01 -1.26 -1.51 115.64 120.11 1ptz s THR 88 Ca 0.33 -1.15 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 1ptz s THR 88 Cb -0.06 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 1ptz s THR 88 CO 0.21 0.35 0.77 0.00 -0.69 0.00 0.00 174.62 175.27 1ptz s ALA 89 N 1.24 3.38 0.96 7.40 0.00 -0.38 -4.22 121.76 130.13 1ptz s ALA 89 Ca 0.01 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 1ptz s ALA 89 Cb -0.15 -3.00 0.13 0.00 0.00 0.00 0.00 23.12 20.10 1ptz s ALA 89 CO -0.10 0.11 0.77 -0.40 0.00 0.00 0.00 175.76 176.13 1ptz n ASP 90 N 2.58 0.13 0.13 0.00 3.85 0.46 -1.42 116.55 122.27 1ptz n ASP 90 Ca -0.03 -1.32 0.11 0.00 -0.71 0.00 0.00 54.79 52.83 1ptz n ASP 90 Cb 0.50 -0.58 0.49 0.00 -1.35 0.00 0.00 41.12 40.18 1ptz n ASP 90 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1ptz n LYS 91 N -2.61 0.15 -0.10 0.11 2.85 -1.26 -0.86 118.16 116.44 1ptz n LYS 91 Ca 0.10 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.99 1ptz n LYS 91 Cb 0.34 -1.87 0.29 0.00 -0.65 0.00 0.00 35.03 33.14 1ptz n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ptz n ASP 92 N -2.16 2.53 0.00 -5.58 10.43 -1.26 -4.86 116.55 115.64 1ptz n ASP 92 Ca 0.01 -1.84 0.00 0.00 2.57 0.00 0.00 54.79 55.53 1ptz n ASP 92 Cb 0.13 -0.13 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1ptz n ASP 92 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ptz n GLY 93 N 1.31 0.46 3.52 0.44 0.00 -0.04 -4.75 105.19 106.14 1ptz n GLY 93 Ca 0.17 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1ptz n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ptz s VAL 94 N -2.00 4.08 -0.34 1.61 1.01 -1.26 -1.82 120.40 121.68 1ptz s VAL 94 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1ptz s VAL 94 Cb 0.00 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.64 1ptz s VAL 94 CO 0.00 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.67 1ptz s ALA 95 N 0.39 2.98 -0.36 5.51 0.00 0.29 -0.41 121.76 130.17 1ptz s ALA 95 Ca -0.02 -1.91 -0.23 0.00 0.00 0.00 0.00 51.96 49.79 1ptz s ALA 95 Cb -0.14 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.81 1ptz s ALA 95 CO 0.02 -1.41 0.78 -0.51 0.00 0.00 0.00 175.76 174.65 1ptz s ASP 96 N 1.46 6.57 -0.10 0.00 1.11 -1.26 -1.62 116.67 122.82 1ptz s ASP 96 Ca -0.01 0.39 -0.16 0.00 0.18 0.00 0.00 52.55 52.96 1ptz s ASP 96 Cb -0.20 -2.40 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1ptz s ASP 96 CO -0.00 -0.72 0.39 -0.69 1.18 0.00 0.00 175.17 175.34 1ptz s VAL 97 N 3.08 5.20 -0.36 -1.27 1.01 0.38 -4.84 120.40 123.60 1ptz s VAL 97 Ca 0.31 0.78 0.03 0.00 0.00 0.00 0.00 61.98 63.10 1ptz s VAL 97 Cb -0.13 -3.72 0.16 0.00 0.00 0.00 0.00 36.38 32.68 1ptz s VAL 97 CO 0.16 0.41 0.39 -0.55 0.00 0.00 0.00 175.10 175.52 1ptz s SER 98 N 0.15 0.89 0.19 3.32 0.15 -1.24 -1.65 113.70 115.51 1ptz s SER 98 Ca 0.22 -1.29 0.10 0.00 0.70 0.00 0.00 55.95 55.68 1ptz s SER 98 Cb -0.15 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1ptz s SER 98 CO 0.09 -0.28 -0.20 -0.63 1.20 0.00 0.00 173.24 173.42 1ptz s ILE 99 N 1.69 2.07 -0.05 6.45 1.01 0.14 -4.99 121.20 127.53 1ptz s ILE 99 Ca 0.15 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.75 1ptz s ILE 99 Cb -0.14 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1ptz s ILE 99 CO -0.10 -0.29 -0.02 -0.70 0.00 0.00 0.00 174.94 173.83 1ptz s GLU 100 N -2.95 0.61 -0.01 2.79 2.12 -1.26 -0.29 118.70 119.72 1ptz s GLU 100 Ca 0.20 0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.54 1ptz s GLU 100 Cb -0.06 -0.78 0.00 0.00 0.26 0.00 0.00 34.13 33.55 1ptz s GLU 100 CO 0.09 -0.17 0.02 0.34 -0.54 0.00 0.00 175.26 175.00 1ptz s ASP 101 N 1.29 -0.01 0.00 -1.70 -1.08 -0.36 -4.96 116.67 109.84 1ptz s ASP 101 Ca -0.06 0.03 0.16 0.00 -0.52 0.00 0.00 52.55 52.16 1ptz s ASP 101 Cb -0.13 0.02 0.15 0.00 -1.46 0.00 0.00 42.92 41.50 1ptz s ASP 101 CO -0.02 -0.01 1.04 -1.20 0.52 0.00 0.00 175.17 175.49 1ptz n SER 102 N 3.15 2.41 -0.04 -0.34 7.64 -1.26 -0.29 113.62 124.90 1ptz n SER 102 Ca -0.13 -1.69 -0.22 0.00 1.01 0.00 0.00 58.87 57.84 1ptz n SER 102 Cb 0.59 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.64 1ptz n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ptz h VAL 103 N 3.11 0.76 -4.26 0.44 2.07 -1.92 -3.46 116.25 112.99 1ptz h VAL 103 Ca 0.00 -2.28 -0.50 0.00 0.82 0.00 0.00 66.70 64.74 1ptz h VAL 103 Cb 0.68 2.39 0.12 0.00 -1.52 0.00 0.00 31.29 32.96 1ptz h VAL 103 CO 0.00 0.65 0.32 0.27 0.02 0.00 0.00 177.57 178.83 1ptz s ILE 104 N -2.48 3.28 0.11 4.57 -4.36 -1.26 -4.94 121.20 116.13 1ptz s ILE 104 Ca -0.25 0.42 -0.12 0.00 -0.26 0.00 0.00 60.65 60.44 1ptz s ILE 104 Cb 0.06 -3.02 0.01 0.00 1.25 0.00 0.00 42.46 40.76 1ptz s ILE 104 CO 0.70 -0.54 0.29 -0.55 0.24 0.00 0.00 174.94 175.08 1ptz s SER 105 N -3.61 -0.04 -0.03 4.36 0.15 -1.10 -4.70 113.70 108.73 1ptz s SER 105 Ca 0.61 -0.53 0.17 0.00 0.70 0.00 0.00 55.95 56.90 1ptz s SER 105 Cb -0.16 0.41 0.53 0.00 -1.71 0.00 0.00 66.02 65.09 1ptz s SER 105 CO 0.56 -0.80 1.45 0.18 1.20 0.00 0.00 173.24 175.82 1ptz n LEU 106 N -0.15 3.72 -3.66 3.45 4.77 -1.26 -0.70 117.00 123.17 1ptz n LEU 106 Ca -0.15 -2.12 -0.08 0.00 -0.03 0.00 0.00 56.01 53.63 1ptz n LEU 106 Cb 0.63 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1ptz n LEU 106 CO 0.20 0.86 0.50 -0.94 -1.33 0.00 0.00 177.39 176.68 1ptz s SER 107 N -1.03 -0.37 0.00 -1.43 1.04 -1.26 -1.27 113.70 109.37 1ptz s SER 107 Ca 0.40 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1ptz s SER 107 Cb 0.22 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1ptz s SER 107 CO 0.25 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1ptz n GLY 108 N -0.41 -2.15 0.31 7.32 0.00 -1.26 -3.54 105.19 105.46 1ptz n GLY 108 Ca -0.09 -1.50 0.09 0.00 0.00 0.00 0.00 46.02 44.52 1ptz n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ptz h ASP 109 N 0.00 0.24 -0.57 1.61 3.45 -2.01 -2.02 116.42 117.12 1ptz h ASP 109 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ptz h ASP 109 Cb 0.00 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1ptz h ASP 109 CO 0.00 0.16 0.00 1.41 -1.57 0.00 0.00 179.24 179.24 1ptz n HIS 110 N -4.49 1.69 -1.85 4.55 8.25 -1.26 -4.97 115.22 117.13 1ptz n HIS 110 Ca 0.03 -0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 56.46 1ptz n HIS 110 Cb 0.19 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 1ptz n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ptz s SER 111 N -0.78 6.42 0.00 0.41 0.15 -0.76 -2.72 113.70 116.42 1ptz s SER 111 Ca 0.49 2.96 0.21 0.00 0.70 0.00 0.00 55.95 60.31 1ptz s SER 111 Cb 0.35 -2.66 0.30 0.00 -1.71 0.00 0.00 66.02 62.31 1ptz s SER 111 CO 0.19 -0.83 1.27 2.30 1.20 0.00 0.00 173.24 177.37 1ptz n ILE 112 N 0.94 0.33 -1.92 6.45 -5.35 0.13 -4.90 119.36 115.02 1ptz n ILE 112 Ca 0.03 -0.67 -0.42 0.00 -0.27 0.00 0.00 62.75 61.42 1ptz n ILE 112 Cb 0.39 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.39 1ptz n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ptz s ILE 113 N -1.51 2.62 0.00 7.28 -1.09 -1.26 -1.40 121.20 125.84 1ptz s ILE 113 Ca 0.31 0.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 1ptz s ILE 113 Cb 0.19 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1ptz s ILE 113 CO 0.28 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1ptz n GLY 114 N 3.78 0.77 0.00 6.18 0.00 0.54 -5.01 105.19 111.45 1ptz n GLY 114 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ptz n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ptz n ARG 115 N -2.17 1.64 -5.08 1.61 1.74 -0.49 -2.21 116.66 111.70 1ptz n ARG 115 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1ptz n ARG 115 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 1ptz n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ptz s THR 116 N 0.86 1.80 -0.15 0.55 2.01 -0.99 -0.32 115.64 119.40 1ptz s THR 116 Ca 0.00 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 1ptz s THR 116 Cb 0.00 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1ptz s THR 116 CO 0.00 0.50 0.26 -0.22 -0.69 0.00 0.00 174.62 174.48 1ptz s LEU 117 N 0.06 4.26 -0.01 4.42 2.96 -0.46 0.12 118.68 130.02 1ptz s LEU 117 Ca -0.07 0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 1ptz s LEU 117 Cb -0.14 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 1ptz s LEU 117 CO 0.04 0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.38 1ptz s VAL 118 N 0.26 1.18 -0.09 1.68 1.01 0.31 -2.00 120.40 122.75 1ptz s VAL 118 Ca 0.15 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1ptz s VAL 118 Cb -0.13 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1ptz s VAL 118 CO 0.03 0.33 -0.15 0.54 0.00 0.00 0.00 175.10 175.86 1ptz s VAL 119 N -0.36 2.96 0.35 2.92 0.11 -0.69 -1.99 120.40 123.71 1ptz s VAL 119 Ca 0.06 -0.73 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 1ptz s VAL 119 Cb -0.06 -2.19 -0.01 0.00 -1.53 0.00 0.00 36.38 32.59 1ptz s VAL 119 CO -0.01 0.56 0.43 -1.00 -3.33 0.00 0.00 175.10 171.76 1ptz s HIS 120 N -0.14 2.99 0.19 1.54 3.76 0.09 -1.46 115.29 122.25 1ptz s HIS 120 Ca -0.01 -0.29 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1ptz s HIS 120 Cb -0.14 -2.02 0.07 0.00 1.11 0.00 0.00 32.58 31.60 1ptz s HIS 120 CO 0.03 -0.03 1.43 1.49 -0.85 0.00 0.00 174.74 176.81 1ptz h GLU 121 N 0.95 0.13 -5.81 1.40 4.81 -1.06 -3.37 114.58 111.62 1ptz h GLU 121 Ca -0.44 -0.13 -0.62 0.00 -0.13 0.00 0.00 59.36 58.04 1ptz h GLU 121 Cb 1.26 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.54 1ptz h GLU 121 CO 0.53 0.87 -0.64 0.15 -0.73 0.00 0.00 179.01 179.20 1ptz s LYS 122 N -3.27 1.91 0.42 1.92 1.02 -0.47 -4.93 119.74 116.33 1ptz s LYS 122 Ca -0.02 -2.01 -0.24 0.00 0.02 0.00 0.00 55.97 53.72 1ptz s LYS 122 Cb 0.11 -1.69 -0.08 0.00 -0.52 0.00 0.00 37.83 35.64 1ptz s LYS 122 CO 0.81 0.05 1.13 0.00 -0.92 0.00 0.00 175.35 176.42 1ptz s ALA 123 N -2.65 3.06 -0.19 5.17 0.00 -1.19 -0.66 121.76 125.30 1ptz s ALA 123 Ca 0.34 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 1ptz s ALA 123 Cb 0.06 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ptz s ALA 123 CO 0.17 -0.48 0.86 0.34 0.00 0.00 0.00 175.76 176.66 1ptz s ASP 124 N -1.35 6.95 0.00 0.00 3.68 -1.26 -4.13 116.67 120.56 1ptz s ASP 124 Ca 0.60 1.18 0.07 0.00 2.13 0.00 0.00 52.55 56.52 1ptz s ASP 124 Cb -0.27 -2.46 0.40 0.00 -1.45 0.00 0.00 42.92 39.13 1ptz s ASP 124 CO 0.34 -0.46 1.22 -0.90 0.13 0.00 0.00 175.17 175.50 1ptz n ASP 125 N 5.52 0.00 -2.02 -0.34 3.85 0.34 -4.87 116.55 119.03 1ptz n ASP 125 Ca 0.06 -1.70 -0.17 0.00 -0.71 0.00 0.00 54.79 52.26 1ptz n ASP 125 Cb 0.48 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.22 1ptz n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1ptz n LEU 126 N -0.61 -1.43 0.00 -2.12 4.77 -1.26 -1.36 117.00 114.98 1ptz n LEU 126 Ca 0.05 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1ptz n LEU 126 Cb 0.02 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 1ptz n LEU 126 CO 0.04 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1ptz n GLY 127 N -0.66 0.63 1.53 -0.72 0.00 -1.24 -3.52 105.19 101.21 1ptz n GLY 127 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.92 1ptz n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ptz n LYS 128 N -2.74 3.69 -2.25 1.61 5.02 -0.46 -4.64 118.16 118.40 1ptz n LYS 128 Ca 0.00 -2.86 -0.32 0.00 -2.02 0.00 0.00 58.31 53.10 1ptz n LYS 128 Cb 0.00 -1.87 -0.02 0.00 -0.02 0.00 0.00 35.03 33.12 1ptz n LYS 128 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ptz s GLY 129 N -0.96 2.05 -0.90 0.72 0.00 -1.26 -4.95 107.32 102.01 1ptz s GLY 129 Ca 0.50 0.23 -0.06 0.00 0.00 0.00 0.00 44.72 45.38 1ptz s GLY 129 CO 0.24 0.51 2.89 0.61 0.00 0.00 0.00 173.10 177.35 1ptz n GLY 130 N -1.48 4.30 3.71 0.20 0.00 -1.26 -4.80 105.19 105.86 1ptz n GLY 130 Ca 0.07 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 1ptz n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ptz s ASN 131 N 1.15 -0.18 0.32 1.61 2.20 -1.26 -5.05 114.94 113.72 1ptz s ASN 131 Ca 0.62 -0.33 0.06 0.00 -0.94 0.00 0.00 52.86 52.27 1ptz s ASN 131 Cb 0.26 0.43 0.54 0.00 -2.00 0.00 0.00 41.25 40.48 1ptz s ASN 131 CO -0.10 -0.79 1.77 -0.33 -2.94 0.00 0.00 177.10 174.71 1ptz h GLU 132 N 2.00 0.31 0.00 3.55 4.39 -2.03 -3.06 114.58 119.74 1ptz h GLU 132 Ca -0.24 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 1ptz h GLU 132 Cb 1.23 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1ptz h GLU 132 CO 0.26 0.57 -0.20 1.49 -1.16 0.00 0.00 179.01 179.98 1ptz h GLU 133 N 0.27 0.00 -0.82 2.33 4.57 -1.96 -3.16 114.58 115.81 1ptz h GLU 133 Ca 0.04 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1ptz h GLU 133 Cb 0.64 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.14 1ptz h GLU 133 CO 0.05 0.20 0.41 1.03 -1.18 0.00 0.00 179.01 179.51 1ptz h SER 134 N 0.00 0.48 -0.22 1.04 0.87 -1.85 0.27 113.55 114.14 1ptz h SER 134 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1ptz h SER 134 Cb 0.47 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1ptz h SER 134 CO 0.03 0.20 0.00 0.35 -0.53 0.00 0.00 176.83 176.88 1ptz n THR 135 N -4.89 0.95 0.01 2.23 -2.24 -1.19 -1.77 114.28 107.38 1ptz n THR 135 Ca 0.16 -0.51 -0.02 0.00 -2.27 0.00 0.00 64.05 61.41 1ptz n THR 135 Cb 0.42 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1ptz n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ptz n LYS 136 N 0.25 0.06 0.00 -0.78 4.76 -0.01 -1.30 118.16 121.14 1ptz n LYS 136 Ca 0.10 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1ptz n LYS 136 Cb 0.56 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1ptz n LYS 136 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ptz n THR 137 N -3.42 0.06 -1.07 -0.18 -2.24 -0.65 -4.62 114.28 102.17 1ptz n THR 137 Ca -0.04 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1ptz n THR 137 Cb 0.26 1.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.88 1ptz n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ptz n GLY 138 N -0.03 0.42 2.47 3.38 0.00 -0.73 -2.75 105.19 107.96 1ptz n GLY 138 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1ptz n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ptz n ASN 139 N -0.48 -5.93 0.25 1.61 3.02 -1.26 -0.51 115.26 111.97 1ptz n ASN 139 Ca -0.02 -0.05 0.17 0.00 -0.03 0.00 0.00 54.58 54.65 1ptz n ASN 139 Cb 0.32 -4.91 0.81 0.00 -0.61 0.00 0.00 39.78 35.39 1ptz n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ptz h ALA 140 N 0.99 1.00 -0.33 5.41 0.00 -1.67 -3.44 119.26 121.22 1ptz h ALA 140 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ptz h ALA 140 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ptz h ALA 140 CO 0.58 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1ptz n GLY 141 N -0.55 -0.27 3.64 0.00 0.00 -1.26 -1.37 105.19 105.38 1ptz n GLY 141 Ca -0.01 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1ptz n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ptz n SER 142 N -0.61 0.99 -4.44 1.61 3.41 -1.26 -4.67 113.62 108.65 1ptz n SER 142 Ca 0.00 0.78 -0.44 0.00 -0.26 0.00 0.00 58.87 58.95 1ptz n SER 142 Cb 0.00 -1.43 -0.06 0.00 -0.26 0.00 0.00 64.21 62.46 1ptz n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ptz s ARG 143 N -3.02 3.12 0.17 4.33 0.52 -1.26 -0.92 118.95 121.89 1ptz s ARG 143 Ca 0.78 -0.94 -0.04 0.00 -0.52 0.00 0.00 55.73 55.01 1ptz s ARG 143 Cb -0.39 -4.14 0.05 0.00 0.52 0.00 0.00 34.95 30.99 1ptz s ARG 143 CO 0.45 -1.35 1.45 -0.07 0.02 0.00 0.00 175.30 175.80 1ptz h LEU 144 N 9.96 0.61 -7.14 2.53 3.38 -1.55 -3.47 115.31 119.63 1ptz h LEU 144 Ca -0.28 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 1ptz h LEU 144 Cb 1.09 -0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 1ptz h LEU 144 CO 1.02 1.10 0.08 0.00 0.09 0.00 0.00 178.44 180.74 1ptz s ALA 145 N -3.81 -1.44 0.23 1.53 0.00 -1.17 -4.01 121.76 113.10 1ptz s ALA 145 Ca -0.07 0.71 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 1ptz s ALA 145 Cb 0.11 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1ptz s ALA 145 CO 0.85 -0.52 0.61 0.00 0.00 0.00 0.00 175.76 176.70 1ptz s GLY 147 N -2.90 -0.45 0.24 0.00 0.00 -0.85 -1.33 107.32 102.04 1ptz s GLY 147 Ca 0.11 1.80 -0.30 0.00 0.00 0.00 0.00 44.72 46.33 1ptz s GLY 147 CO 0.01 1.25 1.09 0.14 0.00 0.00 0.00 173.10 175.59 1ptz s VAL 148 N -0.66 3.68 -0.41 1.40 1.01 -1.26 -1.36 120.40 122.80 1ptz s VAL 148 Ca -0.05 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 1ptz s VAL 148 Cb -0.02 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ptz s VAL 148 CO 0.04 0.34 1.02 -0.63 0.00 0.00 0.00 175.10 175.87 1ptz s ILE 149 N -0.81 4.44 0.29 2.22 1.01 0.57 -4.44 121.20 124.47 1ptz s ILE 149 Ca 0.46 1.23 0.10 0.00 0.00 0.00 0.00 60.65 62.44 1ptz s ILE 149 Cb -0.30 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.67 1ptz s ILE 149 CO 0.38 -0.72 0.00 -0.83 0.00 0.00 0.00 174.94 173.77 1ptz s GLY 150 N 2.07 1.77 0.18 6.18 0.00 0.06 -0.34 107.32 117.24 1ptz s GLY 150 Ca 0.42 -1.74 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 1ptz s GLY 150 CO 0.23 -1.77 1.36 -0.42 0.00 0.00 0.00 173.10 172.50 1ptz s ILE 151 N -2.38 3.13 0.25 0.90 1.01 -1.26 -0.79 121.20 122.06 1ptz s ILE 151 Ca 0.33 0.89 0.11 0.00 0.00 0.00 0.00 60.65 61.98 1ptz s ILE 151 Cb -0.05 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1ptz s ILE 151 CO 0.20 0.11 -0.19 0.00 0.00 0.00 0.00 174.94 175.06 1ptz s ALA 152 N 0.42 2.74 -2.00 9.38 0.00 -0.51 -4.80 121.76 126.99 1ptz s ALA 152 Ca 0.60 -1.77 0.23 0.00 0.00 0.00 0.00 51.96 51.01 1ptz s ALA 152 Cb -0.38 -0.35 1.36 0.00 0.00 0.00 0.00 23.12 23.75 1ptz s ALA 152 CO 0.36 0.33 1.73 0.94 0.00 0.00 0.00 175.76 179.12