#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z94 n ASN 3 N 0.00 -2.17 -4.14 3.54 4.13 -1.26 -4.89 115.26 110.47 1z94 n ASN 3 Ca 0.00 0.21 -0.17 0.00 1.68 0.00 0.00 54.58 56.30 1z94 n ASN 3 Cb 0.00 -2.19 -0.12 0.00 -1.54 0.00 0.00 39.78 35.93 1z94 n ASN 3 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1z94 s THR 4 N -1.74 0.97 -0.01 3.41 2.01 -1.26 -1.75 115.64 117.27 1z94 s THR 4 Ca 0.00 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.79 1z94 s THR 4 Cb 0.00 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 1z94 s THR 4 CO 0.00 -0.25 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.00 1z94 s ILE 5 N -1.26 0.42 -0.07 1.82 1.09 -0.12 -4.96 121.20 118.12 1z94 s ILE 5 Ca -0.04 -0.21 0.01 0.00 -1.10 0.00 0.00 60.65 59.31 1z94 s ILE 5 Cb -0.10 -0.37 0.02 0.00 -1.06 0.00 0.00 42.46 40.95 1z94 s ILE 5 CO 0.02 0.13 -0.05 -0.13 -0.10 0.00 0.00 174.94 174.80 1z94 s ARG 6 N 0.00 1.06 -0.02 2.79 0.52 -1.26 -0.49 118.95 121.55 1z94 s ARG 6 Ca 0.00 -0.14 0.04 0.00 -0.52 0.00 0.00 55.73 55.11 1z94 s ARG 6 Cb -0.04 -1.10 -0.01 0.00 0.52 0.00 0.00 34.95 34.33 1z94 s ARG 6 CO -0.00 -0.14 -0.15 -0.51 0.02 0.00 0.00 175.30 174.52 1z94 s LEU 7 N 1.23 1.97 -0.03 2.53 1.43 0.15 -4.97 118.68 120.98 1z94 s LEU 7 Ca -0.06 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1z94 s LEU 7 Cb -0.14 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1z94 s LEU 7 CO -0.02 0.16 -0.02 -2.28 0.23 0.00 0.00 176.35 174.42 1z94 s HIS 8 N -0.18 0.50 0.01 0.29 2.46 -1.26 0.67 115.29 117.78 1z94 s HIS 8 Ca 0.02 -0.09 -0.06 0.00 0.47 0.00 0.00 55.06 55.40 1z94 s HIS 8 Cb -0.08 -0.51 -0.00 0.00 -0.13 0.00 0.00 32.58 31.86 1z94 s HIS 8 CO 0.00 -0.15 0.11 1.03 -2.47 0.00 0.00 174.74 173.26 1z94 s ARG 9 N 0.93 0.49 -0.22 2.88 1.81 -0.11 -5.02 118.95 119.70 1z94 s ARG 9 Ca -0.11 -0.50 -0.06 0.00 -1.72 0.00 0.00 55.73 53.34 1z94 s ARG 9 Cb -0.14 0.20 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1z94 s ARG 9 CO -0.01 -0.12 0.02 0.08 -0.68 0.00 0.00 175.30 174.60 1z94 s VAL 10 N -1.66 4.02 -0.08 3.52 1.01 -1.26 -0.38 120.40 125.57 1z94 s VAL 10 Ca -0.13 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1z94 s VAL 10 Cb -0.07 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1z94 s VAL 10 CO -0.00 0.39 -0.09 -0.76 0.00 0.00 0.00 175.10 174.64 1z94 s LEU 11 N 1.31 3.01 -0.70 3.92 1.43 0.73 -4.98 118.68 123.41 1z94 s LEU 11 Ca 0.04 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1z94 s LEU 11 Cb -0.15 -1.66 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 1z94 s LEU 11 CO 0.02 0.32 3.15 -1.20 0.23 0.00 0.00 176.35 178.86 1z94 n SER 12 N 2.53 6.79 -3.71 2.29 7.64 -1.26 -0.03 113.62 127.87 1z94 n SER 12 Ca -0.18 -2.71 -0.14 0.00 1.01 0.00 0.00 58.87 56.85 1z94 n SER 12 Cb 0.53 -1.42 -0.08 0.00 -1.01 0.00 0.00 64.21 62.23 1z94 n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1z94 s ALA 13 N 0.59 -1.00 0.50 -0.43 0.00 -1.25 -4.57 121.76 115.59 1z94 s ALA 13 Ca 0.65 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1z94 s ALA 13 Cb 0.28 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 1z94 s ALA 13 CO -0.07 -0.29 1.36 -2.14 0.00 0.00 0.00 175.76 174.63 1z94 s PRO 14 N -1.31 3.42 0.31 0.00 0.02 -1.26 -1.87 135.00 134.30 1z94 s PRO 14 Ca -0.13 2.25 0.06 0.00 0.02 0.00 0.00 61.00 63.20 1z94 s PRO 14 Cb -0.04 -2.43 0.73 0.00 0.02 0.00 0.00 34.50 32.78 1z94 s PRO 14 CO 0.05 -0.98 1.80 -1.35 -0.33 0.00 0.00 177.00 176.20 1z94 h PRO 15 N 1.86 0.77 -0.77 5.54 0.11 -1.89 -1.53 132.00 136.08 1z94 h PRO 15 Ca -0.51 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1z94 h PRO 15 Cb 1.28 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1z94 h PRO 15 CO 0.59 0.51 0.36 1.49 -0.21 0.00 0.00 178.00 180.74 1z94 h GLU 16 N 0.79 1.12 -0.47 1.05 4.57 -1.91 -0.33 114.58 119.39 1z94 h GLU 16 Ca 0.54 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.48 1z94 h GLU 16 Cb 0.81 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1z94 h GLU 16 CO -0.32 0.87 0.02 -0.09 -1.18 0.00 0.00 179.01 178.31 1z94 h ARG 17 N 1.09 0.82 -0.28 1.92 2.43 -1.66 -1.10 114.38 117.61 1z94 h ARG 17 Ca 0.26 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1z94 h ARG 17 Cb 0.13 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1z94 h ARG 17 CO -0.03 0.86 0.06 0.28 -1.51 0.00 0.00 179.97 179.63 1z94 h VAL 18 N 0.68 1.22 -0.52 0.20 2.07 -1.25 -1.91 116.25 116.73 1z94 h VAL 18 Ca 0.14 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 67.03 1z94 h VAL 18 Cb 0.47 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 1z94 h VAL 18 CO 0.02 0.24 -0.03 0.22 0.02 0.00 0.00 177.57 178.04 1z94 h TYR 19 N 0.27 -0.08 -1.00 1.57 3.20 -0.94 -0.62 116.97 119.38 1z94 h TYR 19 Ca 0.09 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1z94 h TYR 19 Cb 0.30 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1z94 h TYR 19 CO 0.02 -0.15 0.64 -0.09 -1.64 0.00 0.00 178.16 176.94 1z94 h ARG 20 N 0.09 1.15 0.00 1.82 2.43 -0.87 -1.75 114.38 117.24 1z94 h ARG 20 Ca 0.26 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1z94 h ARG 20 Cb 0.41 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1z94 h ARG 20 CO -0.46 0.76 -0.08 0.00 -1.51 0.00 0.00 179.97 178.68 1z94 h ALA 21 N 1.44 1.33 0.00 2.80 0.00 -0.31 -0.83 119.26 123.69 1z94 h ALA 21 Ca 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1z94 h ALA 21 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1z94 h ALA 21 CO -0.17 0.10 -0.22 1.19 0.00 0.00 0.00 179.25 180.15 1z94 n PHE 22 N -3.66 0.31 -0.00 0.00 3.72 -0.66 -3.99 117.46 113.17 1z94 n PHE 22 Ca -0.02 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1z94 n PHE 22 Cb 0.19 -0.57 -0.00 0.00 -0.94 0.00 0.00 39.48 38.16 1z94 n PHE 22 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1z94 n LEU 23 N -1.78 0.00 -4.64 4.37 4.77 -0.87 -4.99 117.00 113.86 1z94 n LEU 23 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 1z94 n LEU 23 Cb 0.38 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1z94 n LEU 23 CO 0.31 0.00 0.98 -0.62 -1.33 0.00 0.00 177.39 176.74 1z94 s ASP 24 N -2.01 6.90 0.50 -1.43 3.68 -0.37 -4.92 116.67 119.02 1z94 s ASP 24 Ca -0.00 1.08 0.25 0.00 2.13 0.00 0.00 52.55 56.01 1z94 s ASP 24 Cb 0.00 -2.54 1.33 0.00 -1.45 0.00 0.00 42.92 40.25 1z94 s ASP 24 CO 0.00 -0.91 1.93 -0.65 0.13 0.00 0.00 175.17 175.68 1z94 h PRO 25 N 8.25 0.12 -0.01 4.34 0.11 -1.92 -0.89 132.00 142.00 1z94 h PRO 25 Ca -0.21 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.69 1z94 h PRO 25 Cb 1.07 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1z94 h PRO 25 CO 1.03 0.08 -0.85 -0.07 -0.21 0.00 0.00 178.00 177.98 1z94 h LEU 26 N 0.12 0.31 0.02 2.35 3.38 -1.97 -2.33 115.31 117.20 1z94 h LEU 26 Ca 0.36 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1z94 h LEU 26 Cb 1.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1z94 h LEU 26 CO -0.05 1.03 -0.01 0.00 0.09 0.00 0.00 178.44 179.50 1z94 h ALA 27 N 0.96 -0.03 -0.74 1.53 0.00 -1.57 -3.26 119.26 116.14 1z94 h ALA 27 Ca -0.04 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.66 1z94 h ALA 27 Cb 1.47 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 1z94 h ALA 27 CO 0.13 -0.18 0.35 -0.07 0.00 0.00 0.00 179.25 179.48 1z94 h LEU 28 N -0.70 0.41 -2.15 0.00 3.38 -1.26 0.15 115.31 115.14 1z94 h LEU 28 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1z94 h LEU 28 Cb 0.65 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1z94 h LEU 28 CO 0.00 0.21 -0.07 0.00 0.09 0.00 0.00 178.44 178.67 1z94 h ALA 29 N 1.48 1.40 0.06 1.53 0.00 -1.51 -1.21 119.26 121.02 1z94 h ALA 29 Ca 0.38 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.93 1z94 h ALA 29 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1z94 h ALA 29 CO -0.32 0.09 -1.64 1.17 0.00 0.00 0.00 179.25 178.54 1z94 n LYS 30 N -3.75 0.66 -0.06 0.00 4.81 -0.11 -4.14 118.16 115.58 1z94 n LYS 30 Ca -0.02 0.42 -0.06 0.00 -0.87 0.00 0.00 58.31 57.77 1z94 n LYS 30 Cb 0.17 -1.73 -0.15 0.00 0.02 0.00 0.00 35.03 33.35 1z94 n LYS 30 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 1z94 n TRP 31 N -3.96 0.36 0.21 5.64 4.27 -0.35 -4.64 117.44 118.97 1z94 n TRP 31 Ca -0.32 0.13 -0.15 0.00 -3.89 0.00 0.00 57.50 53.26 1z94 n TRP 31 Cb 0.87 -1.01 -0.08 0.00 -1.36 0.00 0.00 31.31 29.73 1z94 n TRP 31 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1z94 h LEU 32 N 0.00 -0.43 -9.65 5.67 5.85 -1.42 -3.41 115.31 111.91 1z94 h LEU 32 Ca -0.39 -0.05 -0.52 0.00 0.84 0.00 0.00 57.88 57.75 1z94 h LEU 32 Cb 2.00 0.11 0.05 0.00 0.37 0.00 0.00 40.66 43.19 1z94 h LEU 32 CO 0.04 -0.22 0.89 -2.16 -0.34 0.00 0.00 178.44 176.65 1z94 s PRO 33 N -5.61 4.20 1.32 5.25 0.04 -1.26 -4.66 135.00 134.28 1z94 s PRO 33 Ca -0.15 2.42 -0.22 0.00 0.04 0.00 0.00 61.00 63.09 1z94 s PRO 33 Cb 0.04 -3.12 0.33 0.00 0.04 0.00 0.00 34.50 31.79 1z94 s PRO 33 CO 0.61 -0.61 1.03 -2.14 0.04 0.00 0.00 177.00 175.93 1z94 s PRO 34 N 0.77 -2.17 0.25 0.56 0.02 -1.26 -4.80 135.00 128.38 1z94 s PRO 34 Ca 0.69 -0.04 -0.31 0.00 0.02 0.00 0.00 61.00 61.35 1z94 s PRO 34 Cb -0.45 -1.48 -0.13 0.00 0.02 0.00 0.00 34.50 32.46 1z94 s PRO 34 CO 0.35 -4.34 1.54 0.39 -0.33 0.00 0.00 177.00 174.61 1z94 n GLU 35 N -5.21 2.42 -0.87 5.54 1.02 -1.26 -1.65 120.64 120.62 1z94 n GLU 35 Ca 0.14 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1z94 n GLU 35 Cb 0.60 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 1z94 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1z94 n GLY 36 N 2.47 0.78 3.37 0.62 0.00 -1.26 -5.03 105.19 106.14 1z94 n GLY 36 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1z94 n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1z94 s PHE 37 N -2.99 2.19 0.23 1.61 0.08 -0.66 -0.47 117.98 117.97 1z94 s PHE 37 Ca 0.00 -0.39 0.11 0.00 0.12 0.00 0.00 56.93 56.77 1z94 s PHE 37 Cb 0.00 -1.19 -0.05 0.00 -0.57 0.00 0.00 43.02 41.21 1z94 s PHE 37 CO 0.00 0.30 -0.21 0.14 -0.10 0.00 0.00 175.22 175.36 1z94 s VAL 38 N -1.07 2.29 -0.02 -0.44 -7.23 -0.36 -4.67 120.40 108.89 1z94 s VAL 38 Ca 0.12 -2.20 0.07 0.00 -1.81 0.00 0.00 61.98 58.16 1z94 s VAL 38 Cb -0.10 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1z94 s VAL 38 CO 0.05 -0.31 -0.22 0.00 -0.31 0.00 0.00 175.10 174.32 1z94 s LYS 40 N -0.51 2.18 -0.34 0.00 2.20 -0.83 -4.83 119.74 117.60 1z94 s LYS 40 Ca 0.08 -0.52 -0.21 0.00 -0.36 0.00 0.00 55.97 54.96 1z94 s LYS 40 Cb -0.08 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 1z94 s LYS 40 CO -0.01 -0.20 0.67 0.08 -0.36 0.00 0.00 175.35 175.53 1z94 s VAL 41 N 1.40 4.87 -0.17 4.02 1.01 -1.26 -1.65 120.40 128.62 1z94 s VAL 41 Ca 0.02 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.49 1z94 s VAL 41 Cb -0.13 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 31.93 1z94 s VAL 41 CO -0.08 -0.29 0.54 -0.07 0.00 0.00 0.00 175.10 175.21 1z94 h LEU 42 N 9.39 0.00 -7.99 3.92 4.07 -1.21 -3.48 115.31 120.01 1z94 h LEU 42 Ca -0.26 -0.79 -0.30 0.00 0.08 0.00 0.00 57.88 56.60 1z94 h LEU 42 Cb 1.11 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.59 1z94 h LEU 42 CO 0.84 1.18 -0.75 -1.61 -1.08 0.00 0.00 178.44 177.03 1z94 s GLU 43 N -2.27 0.44 -0.46 1.13 2.02 -0.75 -4.91 118.70 113.91 1z94 s GLU 43 Ca -0.22 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.45 1z94 s GLU 43 Cb 0.00 -0.35 0.21 0.00 0.10 0.00 0.00 34.13 34.09 1z94 s GLU 43 CO 0.64 0.09 0.64 -2.39 0.02 0.00 0.00 175.26 174.26 1z94 n HIS 44 N 2.44 -2.39 -3.10 1.61 1.44 -1.26 -1.35 115.22 112.62 1z94 n HIS 44 Ca -0.16 -2.33 -0.45 0.00 -2.01 0.00 0.00 57.72 52.76 1z94 n HIS 44 Cb 0.57 0.88 -0.02 0.00 0.12 0.00 0.00 29.99 31.53 1z94 n HIS 44 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1z94 s ASP 45 N -0.35 6.65 -0.89 4.39 3.68 -0.87 -4.96 116.67 124.32 1z94 s ASP 45 Ca 0.32 -2.26 -0.09 0.00 2.13 0.00 0.00 52.55 52.65 1z94 s ASP 45 Cb 0.10 -2.32 -0.07 0.00 -1.45 0.00 0.00 42.92 39.18 1z94 s ASP 45 CO -0.15 -0.87 2.07 0.00 0.13 0.00 0.00 175.17 176.35 1z94 n ALA 46 N 5.50 4.41 -3.13 3.66 0.00 -1.26 -4.24 120.51 125.44 1z94 n ALA 46 Ca 0.17 -2.31 -0.13 0.00 0.00 0.00 0.00 53.44 51.18 1z94 n ALA 46 Cb 0.48 -3.14 -0.07 0.00 0.00 0.00 0.00 19.45 16.71 1z94 n ALA 46 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1z94 s ARG 47 N 3.76 0.81 -0.07 0.00 1.70 -1.26 -5.05 118.95 118.84 1z94 s ARG 47 Ca 0.43 -0.35 -0.37 0.00 -0.47 0.00 0.00 55.73 54.97 1z94 s ARG 47 Cb 0.11 0.36 -0.15 0.00 -0.57 0.00 0.00 34.95 34.70 1z94 s ARG 47 CO -0.00 -0.26 1.61 0.28 -1.08 0.00 0.00 175.30 175.85 1z94 n VAL 48 N 0.76 0.21 0.00 4.99 0.31 -1.26 0.75 118.33 124.08 1z94 n VAL 48 Ca -0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1z94 n VAL 48 Cb 0.58 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1z94 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1z94 n GLY 49 N 3.55 2.89 3.77 2.92 0.00 -0.37 -4.99 105.19 112.97 1z94 n GLY 49 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1z94 n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1z94 s GLY 50 N -2.14 2.79 0.36 -0.02 0.00 0.23 -4.69 107.32 103.85 1z94 s GLY 50 Ca 0.00 0.95 0.04 0.00 0.00 0.00 0.00 44.72 45.71 1z94 s GLY 50 CO 0.00 1.41 0.52 0.00 0.00 0.00 0.00 173.10 175.04 1z94 s ALA 51 N -1.52 4.00 -0.02 3.20 0.00 -1.26 -1.32 121.76 124.85 1z94 s ALA 51 Ca 0.63 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 1z94 s ALA 51 Cb -0.29 -1.86 0.04 0.00 0.00 0.00 0.00 23.12 21.01 1z94 s ALA 51 CO 0.36 -0.10 0.48 1.52 0.00 0.00 0.00 175.76 178.02 1z94 s TYR 52 N -2.27 -0.39 0.17 0.00 1.13 -0.40 -2.05 117.35 113.52 1z94 s TYR 52 Ca 0.44 0.61 -0.09 0.00 -1.41 0.00 0.00 57.07 56.62 1z94 s TYR 52 Cb -0.10 0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 41.01 1z94 s TYR 52 CO 0.33 -0.52 0.28 0.21 -2.51 0.00 0.00 175.55 173.35 1z94 s LYS 53 N -1.49 1.16 -0.24 -3.49 2.20 -0.46 -1.74 119.74 115.69 1z94 s LYS 53 Ca -0.11 -1.18 -0.25 0.00 -0.36 0.00 0.00 55.97 54.07 1z94 s LYS 53 Cb -0.02 0.38 0.07 0.00 -1.51 0.00 0.00 37.83 36.74 1z94 s LYS 53 CO 0.05 -0.42 0.69 -1.83 -0.36 0.00 0.00 175.35 173.48 1z94 s GLU 55 N -3.97 0.84 -0.07 4.03 -1.05 -0.66 -0.51 118.70 117.31 1z94 s GLU 55 Ca 0.18 0.90 -0.01 0.00 -0.15 0.00 0.00 54.97 55.88 1z94 s GLU 55 Cb 0.03 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 1z94 s GLU 55 CO 0.00 -0.12 0.01 -0.06 0.95 0.00 0.00 175.26 176.04 1z94 s PHE 56 N 0.21 3.17 -0.08 4.83 0.40 0.16 -1.96 117.98 124.71 1z94 s PHE 56 Ca -0.01 0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1z94 s PHE 56 Cb -0.04 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.74 1z94 s PHE 56 CO 0.02 0.48 -0.09 -0.51 0.70 0.00 0.00 175.22 175.82 1z94 s LEU 57 N -1.07 1.39 -0.13 -0.37 1.02 -0.50 -0.84 118.68 118.17 1z94 s LEU 57 Ca 0.15 -0.26 -0.29 0.00 0.02 0.00 0.00 54.13 53.75 1z94 s LEU 57 Cb -0.11 -0.74 -0.03 0.00 0.02 0.00 0.00 46.19 45.32 1z94 s LEU 57 CO 0.05 -0.04 1.47 0.00 0.02 0.00 0.00 176.35 177.84 1z94 s ALA 58 N 1.11 3.59 0.32 4.21 0.00 -0.29 -1.23 121.76 129.47 1z94 s ALA 58 Ca -0.07 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1z94 s ALA 58 Cb -0.14 -3.71 0.53 0.00 0.00 0.00 0.00 23.12 19.80 1z94 s ALA 58 CO -0.01 -1.38 1.91 0.35 0.00 0.00 0.00 175.76 176.63 1z94 h PHE 59 N 9.09 0.79 -0.21 0.00 3.57 -1.12 0.38 116.94 129.43 1z94 h PHE 59 Ca -0.33 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 60.98 1z94 h PHE 59 Cb 1.14 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1z94 h PHE 59 CO 0.85 0.60 -0.50 0.00 -2.23 0.00 0.00 178.31 177.03 1z94 h ALA 60 N 1.48 0.35 0.00 2.41 0.00 -1.90 -3.36 119.26 118.23 1z94 h ALA 60 Ca 0.19 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1z94 h ALA 60 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1z94 h ALA 60 CO -0.02 0.52 -2.07 -1.13 0.00 0.00 0.00 179.25 176.55 1z94 n SER 61 N -4.13 0.10 0.00 0.00 3.41 -1.19 -4.98 113.62 106.82 1z94 n SER 61 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1z94 n SER 61 Cb 0.60 1.75 0.00 0.00 -0.26 0.00 0.00 64.21 66.29 1z94 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z94 n GLY 62 N 1.40 2.01 3.63 5.00 0.00 0.13 -5.00 105.19 112.37 1z94 n GLY 62 Ca -0.11 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.39 1z94 n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1z94 n GLN 63 N -2.00 1.35 -4.07 1.61 7.27 -1.25 -4.56 117.38 115.72 1z94 n GLN 63 Ca 0.00 0.49 -0.28 0.00 0.07 0.00 0.00 57.00 57.28 1z94 n GLN 63 Cb 0.00 -2.17 -0.06 0.00 2.41 0.00 0.00 30.24 30.43 1z94 n GLN 63 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1z94 s LYS 64 N 1.31 2.90 -0.18 3.69 2.20 -1.26 -1.13 119.74 127.27 1z94 s LYS 64 Ca 0.87 -0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 55.63 1z94 s LYS 64 Cb -0.92 -2.68 0.09 0.00 -1.51 0.00 0.00 37.83 32.81 1z94 s LYS 64 CO 0.49 0.51 0.28 -1.01 -0.36 0.00 0.00 175.35 175.26 1z94 s HIS 65 N -1.64 -0.46 -0.04 4.03 3.76 -0.02 -4.97 115.29 115.95 1z94 s HIS 65 Ca 0.30 0.74 0.02 0.00 -0.15 0.00 0.00 55.06 55.97 1z94 s HIS 65 Cb -0.11 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.44 1z94 s HIS 65 CO 0.23 -0.50 -0.06 0.00 -0.85 0.00 0.00 174.74 173.56 1z94 s ALA 66 N 2.42 3.02 0.10 -1.40 0.00 -1.26 0.36 121.76 125.00 1z94 s ALA 66 Ca 0.05 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 1z94 s ALA 66 Cb -0.14 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1z94 s ALA 66 CO -0.11 0.59 0.11 -0.59 0.00 0.00 0.00 175.76 175.76 1z94 s PHE 67 N -0.90 0.46 0.19 0.00 -0.71 -1.26 -1.68 117.98 114.08 1z94 s PHE 67 Ca 0.15 -0.91 -0.23 0.00 -1.04 0.00 0.00 56.93 54.90 1z94 s PHE 67 Cb -0.11 -0.25 0.07 0.00 -1.21 0.00 0.00 43.02 41.51 1z94 s PHE 67 CO 0.04 -0.52 0.98 0.20 -1.34 0.00 0.00 175.22 174.59 1z94 s GLY 68 N -2.94 -0.02 0.00 1.99 0.00 -0.33 -4.48 107.32 101.55 1z94 s GLY 68 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1z94 s GLY 68 CO -0.06 1.10 0.00 0.61 0.00 0.00 0.00 173.10 174.75 1z94 n GLY 69 N -0.58 -0.64 3.10 0.20 0.00 -0.71 -1.25 105.19 105.31 1z94 n GLY 69 Ca -0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1z94 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1z94 s ARG 70 N -0.16 0.62 0.15 1.61 0.52 -1.24 -1.28 118.95 119.18 1z94 s ARG 70 Ca 0.00 -0.93 -0.28 0.00 -0.52 0.00 0.00 55.73 54.00 1z94 s ARG 70 Cb 0.00 -0.28 -0.07 0.00 0.52 0.00 0.00 34.95 35.12 1z94 s ARG 70 CO 0.00 0.03 0.87 0.71 0.02 0.00 0.00 175.30 176.93 1z94 s TYR 71 N -2.03 3.88 -0.16 -0.53 2.02 -0.43 -0.87 117.35 119.23 1z94 s TYR 71 Ca -0.03 1.73 0.17 0.00 -0.37 0.00 0.00 57.07 58.57 1z94 s TYR 71 Cb -0.06 -2.91 -0.25 0.00 -0.40 0.00 0.00 41.96 38.35 1z94 s TYR 71 CO -0.01 0.38 0.13 1.28 -1.57 0.00 0.00 175.55 175.76 1z94 n LEU 72 N 2.06 0.00 -3.60 -1.29 7.99 0.23 -1.23 117.00 121.16 1z94 n LEU 72 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.84 1z94 n LEU 72 Cb 0.49 0.39 -0.07 0.00 -0.11 0.00 0.00 43.42 44.12 1z94 n LEU 72 CO 0.49 0.39 0.52 -1.83 -1.51 0.00 0.00 177.39 175.45 1z94 s GLU 73 N -2.62 0.81 -0.24 3.23 -1.05 -1.15 -4.82 118.70 112.87 1z94 s GLU 73 Ca -0.09 0.63 -0.03 0.00 -0.15 0.00 0.00 54.97 55.33 1z94 s GLU 73 Cb 0.07 0.39 0.10 0.00 -0.44 0.00 0.00 34.13 34.25 1z94 s GLU 73 CO 0.79 -0.16 0.20 -0.51 0.95 0.00 0.00 175.26 176.52 1z94 s LEU 74 N -0.24 0.07 -0.29 1.83 1.43 -1.26 -2.07 118.68 118.16 1z94 s LEU 74 Ca -0.03 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1z94 s LEU 74 Cb -0.03 0.15 0.06 0.00 0.03 0.00 0.00 46.19 46.41 1z94 s LEU 74 CO 0.02 -0.37 -0.05 -0.69 0.23 0.00 0.00 176.35 175.49 1z94 s VAL 75 N 2.26 2.45 -0.44 -1.59 1.01 -0.55 -5.01 120.40 118.52 1z94 s VAL 75 Ca 0.07 -1.69 -0.42 0.00 0.00 0.00 0.00 61.98 59.95 1z94 s VAL 75 Cb -0.15 -2.50 -0.18 0.00 0.00 0.00 0.00 36.38 33.55 1z94 s VAL 75 CO -0.23 -0.16 1.44 -2.65 0.00 0.00 0.00 175.10 173.51 1z94 n PRO 76 N 4.46 0.00 -1.40 2.72 -0.02 -1.26 -0.42 135.00 139.08 1z94 n PRO 76 Ca -0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.23 1z94 n PRO 76 Cb 0.42 -1.33 -0.06 0.00 -0.02 0.00 0.00 33.50 32.51 1z94 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z94 n GLY 77 N 3.71 1.34 1.48 -1.23 0.00 -1.26 -4.77 105.19 104.46 1z94 n GLY 77 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1z94 n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z94 n GLU 78 N -1.62 0.00 -3.48 1.61 1.02 0.44 -4.54 120.64 114.07 1z94 n GLU 78 Ca -0.14 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.87 1z94 n GLU 78 Cb 0.57 -0.26 -0.04 0.00 -0.02 0.00 0.00 31.44 31.69 1z94 n GLU 78 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1z94 s ARG 79 N -2.00 1.11 -0.06 3.49 1.70 -0.70 0.32 118.95 122.80 1z94 s ARG 79 Ca 0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 55.73 55.09 1z94 s ARG 79 Cb 0.00 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 34.93 1z94 s ARG 79 CO 0.00 -0.43 0.13 0.42 -1.08 0.00 0.00 175.30 174.34 1z94 s ILE 80 N -2.58 -0.04 -0.02 4.99 1.01 -0.18 -1.48 121.20 122.89 1z94 s ILE 80 Ca -0.03 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1z94 s ILE 80 Cb -0.01 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.25 1z94 s ILE 80 CO -0.03 0.07 -0.08 -0.60 0.00 0.00 0.00 174.94 174.29 1z94 s ARG 81 N 1.04 0.88 0.06 2.79 3.52 -0.88 0.33 118.95 126.69 1z94 s ARG 81 Ca -0.08 -0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.09 1z94 s ARG 81 Cb -0.10 -0.84 0.03 0.00 -1.56 0.00 0.00 34.95 32.48 1z94 s ARG 81 CO -0.05 0.10 0.36 1.52 -0.81 0.00 0.00 175.30 176.42 1z94 s TYR 82 N 0.20 -0.18 0.31 5.12 -0.85 -0.87 0.74 117.35 121.83 1z94 s TYR 82 Ca -0.03 0.05 -0.14 0.00 -0.52 0.00 0.00 57.07 56.43 1z94 s TYR 82 Cb -0.08 0.16 -0.09 0.00 0.38 0.00 0.00 41.96 42.34 1z94 s TYR 82 CO 0.00 -0.56 0.71 0.95 -1.52 0.00 0.00 175.55 175.13 1z94 s THR 83 N -2.74 4.72 -0.16 -3.49 -4.23 -0.05 -2.03 115.64 107.66 1z94 s THR 83 Ca -0.04 0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 61.30 1z94 s THR 83 Cb -0.00 -3.61 0.08 0.00 1.34 0.00 0.00 72.50 70.30 1z94 s THR 83 CO -0.04 -0.18 0.24 -0.62 -0.54 0.00 0.00 174.62 173.48 1z94 s ASP 84 N -2.31 0.80 0.03 3.99 -1.08 -1.26 -3.67 116.67 113.17 1z94 s ASP 84 Ca 0.53 0.21 0.03 0.00 -0.52 0.00 0.00 52.55 52.80 1z94 s ASP 84 Cb -0.10 0.55 -0.02 0.00 -1.46 0.00 0.00 42.92 41.89 1z94 s ASP 84 CO 0.18 -0.28 -0.08 0.00 0.52 0.00 0.00 175.17 175.51 1z94 s ARG 85 N 2.38 0.58 0.37 4.34 1.70 -0.38 -4.66 118.95 123.28 1z94 s ARG 85 Ca 0.04 -0.63 -0.09 0.00 -0.47 0.00 0.00 55.73 54.59 1z94 s ARG 85 Cb -0.14 -0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 33.73 1z94 s ARG 85 CO -0.10 0.10 0.70 -0.06 -1.08 0.00 0.00 175.30 174.86 1z94 s PHE 86 N -0.99 3.47 0.05 5.89 0.08 -1.26 -1.19 117.98 124.04 1z94 s PHE 86 Ca -0.05 0.91 0.09 0.00 0.12 0.00 0.00 56.93 58.01 1z94 s PHE 86 Cb -0.08 -2.33 -0.19 0.00 -0.57 0.00 0.00 43.02 39.85 1z94 s PHE 86 CO 0.00 -0.03 1.14 -0.44 -0.10 0.00 0.00 175.22 175.80 1z94 h ASP 87 N 1.35 0.00 -2.25 1.36 5.19 -1.67 -3.45 116.42 116.95 1z94 h ASP 87 Ca -0.47 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.38 1z94 h ASP 87 Cb 1.19 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.72 1z94 h ASP 87 CO 0.64 0.94 1.18 -0.67 -3.12 0.00 0.00 179.24 178.22 1z94 n ASP 88 N -3.26 3.92 0.29 6.45 4.64 -1.26 -4.83 116.55 122.50 1z94 n ASP 88 Ca -0.04 0.93 0.19 0.00 -1.38 0.00 0.00 54.79 54.49 1z94 n ASP 88 Cb 0.94 -1.48 0.88 0.00 -1.04 0.00 0.00 41.12 40.43 1z94 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1z94 h ALA 89 N 9.99 1.00 0.00 -1.67 0.00 -2.02 -1.00 119.26 125.56 1z94 h ALA 89 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1z94 h ALA 89 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1z94 h ALA 89 CO 0.94 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1z94 n GLY 90 N -0.43 -1.14 2.69 0.00 0.00 -1.26 -3.73 105.19 101.32 1z94 n GLY 90 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1z94 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1z94 n LEU 91 N -1.24 3.49 -4.78 0.99 4.77 -0.38 -4.79 117.00 115.07 1z94 n LEU 91 Ca 0.14 -5.38 -0.36 0.00 -0.03 0.00 0.00 56.01 50.39 1z94 n LEU 91 Cb 0.20 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1z94 n LEU 91 CO 0.20 2.29 0.77 -2.16 -1.33 0.00 0.00 177.39 177.16 1z94 s PRO 92 N -3.22 3.83 0.00 3.23 0.04 -1.24 -4.48 135.00 133.16 1z94 s PRO 92 Ca 0.46 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1z94 s PRO 92 Cb 0.32 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1z94 s PRO 92 CO -0.12 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1z94 n GLY 93 N 0.24 3.83 2.54 0.56 0.00 -1.26 -4.48 105.19 106.61 1z94 n GLY 93 Ca 0.08 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 1z94 n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1z94 n ASP 94 N 0.00 0.49 -3.44 1.61 -0.08 -1.26 -4.59 116.55 109.28 1z94 n ASP 94 Ca 0.00 -1.54 0.01 0.00 -1.51 0.00 0.00 54.79 51.75 1z94 n ASP 94 Cb 0.00 -0.54 -0.05 0.00 2.34 0.00 0.00 41.12 42.87 1z94 n ASP 94 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1z94 s ILE 96 N -2.40 -0.28 -0.04 5.18 1.01 0.64 -4.52 121.20 120.79 1z94 s ILE 96 Ca 0.46 0.00 0.06 0.00 0.00 0.00 0.00 60.65 61.17 1z94 s ILE 96 Cb -0.02 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1z94 s ILE 96 CO 0.32 0.00 -0.21 0.42 0.00 0.00 0.00 174.94 175.47 1z94 s THR 97 N 2.03 1.71 -0.10 2.92 -4.23 -0.86 -0.21 115.64 116.89 1z94 s THR 97 Ca -0.04 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1z94 s THR 97 Cb -0.04 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.37 1z94 s THR 97 CO -0.16 0.48 -0.13 0.42 -0.54 0.00 0.00 174.62 174.70 1z94 s THR 98 N -0.21 1.30 -0.18 3.99 -4.23 -0.29 -2.04 115.64 113.98 1z94 s THR 98 Ca 0.00 -0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1z94 s THR 98 Cb -0.11 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1z94 s THR 98 CO 0.02 0.40 0.08 -0.63 -0.54 0.00 0.00 174.62 173.95 1z94 s ILE 99 N 1.09 4.96 -0.06 2.99 -1.09 0.15 -2.36 121.20 126.89 1z94 s ILE 99 Ca -0.05 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1z94 s ILE 99 Cb -0.14 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 1z94 s ILE 99 CO -0.02 0.47 -0.17 0.42 -1.23 0.00 0.00 174.94 174.41 1z94 s THR 100 N 0.26 1.46 0.09 2.92 -4.23 -0.31 -1.01 115.64 114.82 1z94 s THR 100 Ca 0.05 -0.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.94 1z94 s THR 100 Cb -0.12 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 1z94 s THR 100 CO -0.00 0.42 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.51 1z94 s LEU 101 N 0.24 2.27 -0.08 4.79 1.43 0.15 -1.37 118.68 126.12 1z94 s LEU 101 Ca -0.09 -0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 52.20 1z94 s LEU 101 Cb -0.14 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.11 1z94 s LEU 101 CO 0.04 0.12 0.36 0.00 0.23 0.00 0.00 176.35 177.10 1z94 s ALA 102 N -1.04 -0.91 0.59 4.21 0.00 -0.70 -4.50 121.76 119.40 1z94 s ALA 102 Ca 0.09 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 1z94 s ALA 102 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1z94 s ALA 102 CO 0.04 -0.23 1.15 -2.14 0.00 0.00 0.00 175.76 174.58 1z94 s PRO 103 N -0.62 3.10 0.16 0.00 0.02 -1.26 0.08 135.00 136.47 1z94 s PRO 103 Ca -0.07 1.63 -0.07 0.00 0.02 0.00 0.00 61.00 62.50 1z94 s PRO 103 Cb -0.04 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1z94 s PRO 103 CO 0.03 -1.06 0.24 -0.51 -0.33 0.00 0.00 177.00 175.37 1z94 s LEU 104 N -4.14 1.11 0.36 -5.54 1.43 -0.82 -4.70 118.68 106.39 1z94 s LEU 104 Ca 0.73 -0.93 0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1z94 s LEU 104 Cb -0.25 1.03 0.69 0.00 0.03 0.00 0.00 46.19 47.69 1z94 s LEU 104 CO 0.32 -0.86 1.79 0.28 0.23 0.00 0.00 176.35 178.11 1z94 h SER 105 N 2.60 0.00 0.94 2.29 0.02 -1.99 -2.77 113.55 114.65 1z94 h SER 105 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1z94 h SER 105 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1z94 h SER 105 CO 0.50 0.40 -0.77 0.00 -1.14 0.00 0.00 176.83 175.83 1z94 n GLY 107 N 1.27 -1.09 3.27 0.00 0.00 -1.04 -3.96 105.19 103.63 1z94 n GLY 107 Ca 0.02 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 1z94 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z94 s ALA 108 N -1.00 -0.82 -0.17 4.61 0.00 0.96 -1.94 121.76 123.40 1z94 s ALA 108 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.12 1z94 s ALA 108 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1z94 s ALA 108 CO 0.00 -0.36 0.08 0.34 0.00 0.00 0.00 175.76 175.83 1z94 s ASP 109 N -1.73 5.83 -0.09 0.00 -1.08 0.11 -0.19 116.67 119.52 1z94 s ASP 109 Ca -0.09 0.17 0.02 0.00 -0.52 0.00 0.00 52.55 52.14 1z94 s ASP 109 Cb -0.03 -1.97 0.01 0.00 -1.46 0.00 0.00 42.92 39.47 1z94 s ASP 109 CO 0.00 0.22 -0.16 -0.22 0.52 0.00 0.00 175.17 175.53 1z94 s LEU 110 N 0.11 1.77 -0.05 -1.34 2.96 0.49 -1.72 118.68 120.90 1z94 s LEU 110 Ca 0.06 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1z94 s LEU 110 Cb -0.12 -1.07 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 1z94 s LEU 110 CO 0.00 0.05 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.46 1z94 s SER 111 N 0.76 2.23 -0.04 3.68 0.01 -0.47 -0.94 113.70 118.93 1z94 s SER 111 Ca -0.11 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.81 1z94 s SER 111 Cb -0.16 -0.65 0.01 0.00 0.21 0.00 0.00 66.02 65.43 1z94 s SER 111 CO 0.02 0.15 -0.11 -0.63 0.41 0.00 0.00 173.24 173.09 1z94 s ILE 112 N 0.06 0.94 -0.07 1.44 1.01 0.21 -1.16 121.20 123.63 1z94 s ILE 112 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1z94 s ILE 112 Cb -0.12 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1z94 s ILE 112 CO 0.03 0.29 -0.05 0.54 0.00 0.00 0.00 174.94 175.75 1z94 s VAL 113 N 0.32 0.69 -0.25 2.92 0.11 -0.99 0.33 120.40 123.53 1z94 s VAL 113 Ca -0.06 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1z94 s VAL 113 Cb -0.11 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1z94 s VAL 113 CO 0.01 0.29 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.40 1z94 s GLN 114 N 1.40 2.65 0.16 1.54 0.74 0.35 -1.14 119.66 125.36 1z94 s GLN 114 Ca -0.03 -1.09 0.07 0.00 0.05 0.00 0.00 55.36 54.36 1z94 s GLN 114 Cb -0.13 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1z94 s GLN 114 CO -0.03 -0.44 0.00 -1.21 -0.55 0.00 0.00 175.29 173.06 1z94 s GLU 115 N 1.25 2.45 -0.03 1.67 2.02 0.70 -0.94 118.70 125.81 1z94 s GLU 115 Ca -0.02 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1z94 s GLU 115 Cb -0.17 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1z94 s GLU 115 CO -0.06 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1z94 n GLY 116 N 0.01 0.40 3.72 -1.39 0.00 -0.98 -0.26 105.19 106.70 1z94 n GLY 116 Ca -0.10 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1z94 n GLY 116 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1z94 n ILE 117 N -3.11 0.54 -1.57 -0.61 5.41 -0.72 -4.32 119.36 114.99 1z94 n ILE 117 Ca -0.00 -0.14 -0.41 0.00 1.00 0.00 0.00 62.75 63.20 1z94 n ILE 117 Cb 0.07 -1.91 0.02 0.00 -0.71 0.00 0.00 39.64 37.11 1z94 n ILE 117 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1z94 n PRO 118 N 2.95 1.07 0.30 0.38 -0.02 -1.26 -4.70 135.00 133.71 1z94 n PRO 118 Ca 0.12 0.39 0.17 0.00 -2.02 0.00 0.00 63.50 62.17 1z94 n PRO 118 Cb 0.35 -1.92 0.93 0.00 -0.02 0.00 0.00 33.50 32.84 1z94 n PRO 118 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1z94 h ASP 119 N 1.16 0.00 0.67 2.55 3.45 -1.90 -1.28 116.42 121.07 1z94 h ASP 119 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1z94 h ASP 119 Cb 1.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 1z94 h ASP 119 CO 0.54 0.04 -0.02 0.00 -1.57 0.00 0.00 179.24 178.23 1z94 n ALA 120 N -2.20 2.50 -3.37 3.45 0.00 -1.26 -4.62 120.51 115.01 1z94 n ALA 120 Ca -0.02 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 1z94 n ALA 120 Cb 0.16 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 1z94 n ALA 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1z94 s ILE 121 N -2.69 3.75 0.13 0.00 -1.09 -0.48 -5.07 121.20 115.74 1z94 s ILE 121 Ca 0.24 -1.36 -0.32 0.00 -2.23 0.00 0.00 60.65 56.98 1z94 s ILE 121 Cb 0.20 -3.23 -0.12 0.00 -1.58 0.00 0.00 42.46 37.73 1z94 s ILE 121 CO 0.49 -0.33 1.77 -2.65 -1.23 0.00 0.00 174.94 172.99 1z94 n PRO 122 N 4.79 2.61 -0.02 2.79 -0.02 -1.26 -4.76 135.00 139.12 1z94 n PRO 122 Ca -0.10 0.95 0.20 0.00 -2.02 0.00 0.00 63.50 62.52 1z94 n PRO 122 Cb 0.44 -2.80 0.67 0.00 -0.02 0.00 0.00 33.50 31.79 1z94 n PRO 122 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1z94 h PRO 123 N 7.74 0.04 -0.26 0.52 0.11 -1.93 -0.36 132.00 137.86 1z94 h PRO 123 Ca -0.46 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1z94 h PRO 123 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1z94 h PRO 123 CO 0.94 0.03 0.01 1.05 -0.21 0.00 0.00 178.00 179.81 1z94 h GLU 124 N 0.04 0.38 -0.33 1.05 4.11 -1.95 -1.58 114.58 116.29 1z94 h GLU 124 Ca 0.27 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.57 1z94 h GLU 124 Cb 1.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1z94 h GLU 124 CO -0.01 0.40 -0.09 -0.91 0.07 0.00 0.00 179.01 178.46 1z94 h ASN 125 N 0.37 0.54 -0.19 3.06 4.21 -1.42 -1.56 115.58 120.58 1z94 h ASN 125 Ca 0.09 -0.14 -0.14 0.00 1.21 0.00 0.00 56.30 57.32 1z94 h ASN 125 Cb 0.24 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1z94 h ASN 125 CO 0.00 0.68 -0.38 0.00 -1.29 0.00 0.00 177.43 176.45 1z94 h TYR 127 N 0.60 0.49 -0.75 0.00 0.05 -0.97 0.11 116.97 116.50 1z94 h TYR 127 Ca 0.05 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.82 1z94 h TYR 127 Cb 0.91 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.46 1z94 h TYR 127 CO 0.05 0.48 0.48 -0.07 -1.05 0.00 0.00 178.16 178.04 1z94 h LEU 128 N 0.36 0.80 0.01 3.88 3.38 -1.13 0.63 115.31 123.24 1z94 h LEU 128 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1z94 h LEU 128 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1z94 h LEU 128 CO -0.01 0.56 -0.00 1.23 0.09 0.00 0.00 178.44 180.30 1z94 h GLY 129 N 0.94 -0.01 1.54 0.83 0.00 -1.01 -2.93 103.07 102.43 1z94 h GLY 129 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1z94 h GLY 129 CO -0.10 -0.00 0.09 1.49 0.00 0.00 0.00 176.54 178.01 1z94 h TRP 130 N -0.32 0.59 -0.84 5.60 4.06 -0.57 -1.09 115.95 123.38 1z94 h TRP 130 Ca -0.00 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1z94 h TRP 130 Cb 0.31 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.25 1z94 h TRP 130 CO 0.03 0.52 0.53 1.96 -3.56 0.00 0.00 178.44 177.92 1z94 h GLN 131 N 0.57 1.13 -0.18 0.49 4.20 -0.84 0.46 115.11 120.94 1z94 h GLN 131 Ca 0.13 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1z94 h GLN 131 Cb 0.23 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1z94 h GLN 131 CO -0.00 0.77 -0.40 1.96 -0.67 0.00 0.00 178.83 180.49 1z94 h GLN 132 N 1.15 0.59 -0.75 1.46 4.20 -1.17 -2.53 115.11 118.07 1z94 h GLN 132 Ca 0.31 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1z94 h GLN 132 Cb -0.09 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1z94 h GLN 132 CO -0.06 1.01 0.28 0.77 -0.67 0.00 0.00 178.83 180.16 1z94 h SER 133 N 0.26 1.04 -0.08 1.46 0.02 -0.66 -1.95 113.55 113.65 1z94 h SER 133 Ca 0.00 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1z94 h SER 133 Cb 1.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1z94 h SER 133 CO 0.09 0.93 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.49 1z94 h LEU 134 N 1.09 0.42 -0.32 5.07 4.07 -0.08 0.14 115.31 125.70 1z94 h LEU 134 Ca 0.25 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.00 1z94 h LEU 134 Cb 0.23 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1z94 h LEU 134 CO -0.02 0.60 -0.16 0.11 -1.08 0.00 0.00 178.44 177.90 1z94 h LYS 135 N 0.40 0.68 -0.55 1.13 1.57 -1.03 -1.98 116.57 116.78 1z94 h LYS 135 Ca 0.07 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1z94 h LYS 135 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1z94 h LYS 135 CO 0.03 0.89 0.06 1.96 -0.57 0.00 0.00 179.45 181.82 1z94 h GLN 136 N 0.44 0.91 -0.48 3.15 4.20 -0.93 -2.14 115.11 120.27 1z94 h GLN 136 Ca 0.07 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1z94 h GLN 136 Cb 0.69 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1z94 h GLN 136 CO 0.05 0.86 0.31 1.25 -0.67 0.00 0.00 178.83 180.63 1z94 h LEU 137 N 0.85 0.53 -0.41 1.46 5.85 -0.54 -2.16 115.31 120.90 1z94 h LEU 137 Ca 0.17 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1z94 h LEU 137 Cb 0.42 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1z94 h LEU 137 CO 0.01 0.39 0.24 0.00 -0.34 0.00 0.00 178.44 178.74 1z94 h ALA 138 N 1.18 0.51 -0.39 1.25 0.00 -1.11 0.66 119.26 121.37 1z94 h ALA 138 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1z94 h ALA 138 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1z94 h ALA 138 CO -0.04 -0.09 0.26 0.00 0.00 0.00 0.00 179.25 179.37 1z94 h ALA 139 N 1.18 1.92 0.10 0.00 0.00 -1.03 -0.87 119.26 120.56 1z94 h ALA 139 Ca 0.16 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1z94 h ALA 139 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1z94 h ALA 139 CO -0.08 0.02 -1.03 1.25 0.00 0.00 0.00 179.25 179.41 1z94 h LEU 140 N 0.35 0.34 0.00 0.00 5.85 -0.72 -3.40 115.31 117.73 1z94 h LEU 140 Ca 0.16 -0.88 -0.15 0.00 0.84 0.00 0.00 57.88 57.85 1z94 h LEU 140 Cb 0.21 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1z94 h LEU 140 CO -0.04 1.46 -0.97 1.62 -0.34 0.00 0.00 178.44 180.17 1z94 h VAL 141 N -0.46 0.84 0.01 1.05 3.04 -0.81 -3.39 116.25 116.53 1z94 h VAL 141 Ca -0.22 -2.32 -0.20 0.00 -1.01 0.00 0.00 66.70 62.96 1z94 h VAL 141 Cb 1.60 2.33 -0.01 0.00 -2.01 0.00 0.00 31.29 33.20 1z94 h VAL 141 CO 0.06 0.48 -0.89 -0.33 -1.01 0.00 0.00 177.57 175.88 1z94 h GLU 142 N 0.00 0.17 -7.13 4.17 5.08 -1.37 -3.44 114.58 112.06 1z94 h GLU 142 Ca -0.08 -0.19 -0.54 0.00 -1.00 0.00 0.00 59.36 57.55 1z94 h GLU 142 Cb 1.54 0.06 0.14 0.00 0.50 0.00 0.00 28.75 30.99 1z94 h GLU 142 CO 0.07 0.95 0.46 -1.25 -1.00 0.00 0.00 179.01 178.23 1z94 s PRO 143 N -3.16 2.56 0.00 2.33 0.04 -1.26 -4.79 135.00 130.72 1z94 s PRO 143 Ca -0.02 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1z94 s PRO 143 Cb 0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1z94 s PRO 143 CO 0.83 -1.53 0.00 -3.47 0.04 0.00 0.00 177.00 172.86