#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z94 s ASN 3 N 0.00 0.77 -0.04 2.55 2.47 0.10 -4.87 114.94 115.92 1z94 s ASN 3 Ca 0.00 -0.64 0.05 0.00 0.42 0.00 0.00 52.86 52.69 1z94 s ASN 3 Cb 0.00 0.07 -0.01 0.00 -1.45 0.00 0.00 41.25 39.86 1z94 s ASN 3 CO 0.00 -0.29 -0.20 -0.89 -3.72 0.00 0.00 177.10 172.00 1z94 s THR 4 N -1.92 1.67 0.20 -5.21 2.01 -1.26 -0.91 115.64 110.22 1z94 s THR 4 Ca -0.06 -0.86 0.10 0.00 0.31 0.00 0.00 61.69 61.17 1z94 s THR 4 Cb -0.06 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1z94 s THR 4 CO -0.01 0.47 -0.19 0.27 -0.69 0.00 0.00 174.62 174.47 1z94 s ILE 5 N -0.12 2.05 -0.01 1.82 -4.36 -0.18 -4.98 121.20 115.41 1z94 s ILE 5 Ca -0.02 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.30 1z94 s ILE 5 Cb -0.12 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.57 1z94 s ILE 5 CO 0.02 -0.34 -0.06 -0.13 0.24 0.00 0.00 174.94 174.67 1z94 s ARG 6 N -3.05 0.60 0.06 0.37 0.52 -1.26 -1.43 118.95 114.75 1z94 s ARG 6 Ca 0.21 -0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.25 1z94 s ARG 6 Cb -0.05 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.80 1z94 s ARG 6 CO 0.09 0.09 -0.11 -0.51 0.02 0.00 0.00 175.30 174.88 1z94 s LEU 7 N 0.10 2.29 -0.12 2.53 1.43 -0.34 -5.00 118.68 119.58 1z94 s LEU 7 Ca -0.01 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.37 1z94 s LEU 7 Cb -0.05 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1z94 s LEU 7 CO -0.00 -0.16 0.31 -2.28 0.23 0.00 0.00 176.35 174.44 1z94 s HIS 8 N -1.51 -0.35 -0.06 0.29 2.46 -1.26 -0.63 115.29 114.23 1z94 s HIS 8 Ca -0.04 0.84 -0.25 0.00 0.47 0.00 0.00 55.06 56.08 1z94 s HIS 8 Cb -0.09 0.12 0.05 0.00 -0.13 0.00 0.00 32.58 32.53 1z94 s HIS 8 CO 0.01 -0.18 0.56 1.03 -2.47 0.00 0.00 174.74 173.69 1z94 s ARG 9 N 0.32 0.89 -0.18 2.88 0.52 0.11 -5.01 118.95 118.49 1z94 s ARG 9 Ca -0.01 0.20 -0.09 0.00 -0.52 0.00 0.00 55.73 55.31 1z94 s ARG 9 Cb -0.03 0.42 -0.05 0.00 0.52 0.00 0.00 34.95 35.81 1z94 s ARG 9 CO -0.01 -0.25 0.12 0.08 0.02 0.00 0.00 175.30 175.26 1z94 s VAL 10 N -1.04 5.34 -0.01 3.52 1.01 -1.26 -0.21 120.40 127.76 1z94 s VAL 10 Ca -0.10 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1z94 s VAL 10 Cb -0.02 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1z94 s VAL 10 CO 0.07 0.49 -0.26 -0.76 0.00 0.00 0.00 175.10 174.64 1z94 s LEU 11 N -0.00 2.09 -1.26 3.92 1.43 -0.01 -4.99 118.68 119.87 1z94 s LEU 11 Ca 0.09 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1z94 s LEU 11 Cb -0.11 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1z94 s LEU 11 CO -0.00 0.31 2.82 -1.20 0.23 0.00 0.00 176.35 178.50 1z94 n SER 12 N 2.30 7.98 -3.71 2.29 7.64 -1.26 -1.32 113.62 127.53 1z94 n SER 12 Ca -0.16 -2.81 -0.14 0.00 1.01 0.00 0.00 58.87 56.76 1z94 n SER 12 Cb 0.51 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.18 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 0.56 -1.01 0.33 -0.43 0.00 -1.26 -4.52 121.76 115.44 1z94 s ALA 13 Ca 0.63 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.88 1z94 s ALA 13 Cb 0.21 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 1z94 s ALA 13 CO -0.08 -0.28 1.16 -1.25 0.00 0.00 0.00 175.76 175.31 1z94 s PRO 14 N -1.27 4.38 0.31 0.00 0.04 -1.26 -1.16 135.00 136.05 1z94 s PRO 14 Ca -0.13 1.89 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1z94 s PRO 14 Cb -0.04 -2.98 0.81 0.00 0.04 0.00 0.00 34.50 32.33 1z94 s PRO 14 CO 0.05 -0.05 1.58 -1.35 0.04 0.00 0.00 177.00 177.27 1z94 h PRO 15 N 3.31 0.02 -0.57 0.56 0.11 -1.88 -0.93 132.00 132.61 1z94 h PRO 15 Ca -0.48 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1z94 h PRO 15 Cb 1.22 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1z94 h PRO 15 CO 0.65 0.01 0.28 1.49 -0.21 0.00 0.00 178.00 180.22 1z94 h GLU 16 N 0.02 0.81 -0.26 1.05 4.57 -1.92 0.56 114.58 119.41 1z94 h GLU 16 Ca 0.62 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.61 1z94 h GLU 16 Cb 1.32 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1z94 h GLU 16 CO -0.89 0.62 -0.21 -0.09 -1.18 0.00 0.00 179.01 177.27 1z94 h ARG 17 N 0.81 0.60 -0.71 1.92 2.43 -1.55 -1.38 114.38 116.50 1z94 h ARG 17 Ca 0.20 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1z94 h ARG 17 Cb 0.08 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1z94 h ARG 17 CO -0.03 0.88 0.41 0.28 -1.51 0.00 0.00 179.97 180.01 1z94 h VAL 18 N 0.32 1.21 -0.13 0.20 2.07 -1.26 -1.30 116.25 117.35 1z94 h VAL 18 Ca 0.05 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1z94 h VAL 18 Cb 0.75 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1z94 h VAL 18 CO 0.05 0.22 -0.11 0.22 0.02 0.00 0.00 177.57 177.98 1z94 h TYR 19 N 0.97 -0.27 -0.60 1.57 3.20 -0.76 -2.09 116.97 118.99 1z94 h TYR 19 Ca 0.25 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.22 1z94 h TYR 19 Cb -0.00 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1z94 h TYR 19 CO -0.01 -0.17 0.26 -0.09 -1.64 0.00 0.00 178.16 176.52 1z94 h ARG 20 N -0.12 0.46 -0.15 1.82 2.43 -0.84 -1.75 114.38 116.23 1z94 h ARG 20 Ca 0.09 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1z94 h ARG 20 Cb 0.25 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1z94 h ARG 20 CO -0.21 0.31 0.12 0.00 -1.51 0.00 0.00 179.97 178.68 1z94 h ALA 21 N 1.38 2.02 0.00 2.80 0.00 -0.55 0.14 119.26 125.05 1z94 h ALA 21 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1z94 h ALA 21 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1z94 h ALA 21 CO -0.26 -0.19 0.00 1.19 0.00 0.00 0.00 179.25 179.99 1z94 n PHE 22 N -4.30 0.77 -0.03 0.00 3.72 -0.66 -4.10 117.46 112.87 1z94 n PHE 22 Ca 0.01 0.23 -0.03 0.00 -0.05 0.00 0.00 57.45 57.61 1z94 n PHE 22 Cb 0.24 -0.87 -0.04 0.00 -0.94 0.00 0.00 39.48 37.87 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 -2.13 0.00 -4.64 4.37 4.77 -0.20 -4.97 117.00 114.19 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 0.41 0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1z94 n LEU 23 CO 0.29 0.13 1.35 -0.62 -1.33 0.00 0.00 177.39 177.21 1z94 s ASP 24 N -3.66 6.54 0.44 -1.43 3.68 0.32 -4.89 116.67 117.66 1z94 s ASP 24 Ca -0.03 1.87 0.15 0.00 2.13 0.00 0.00 52.55 56.68 1z94 s ASP 24 Cb 0.02 -2.53 1.07 0.00 -1.45 0.00 0.00 42.92 40.02 1z94 s ASP 24 CO 0.22 -1.09 1.98 1.55 0.13 0.00 0.00 175.17 177.96 1z94 h PRO 25 N 10.06 0.36 -0.34 4.34 0.13 -1.91 0.13 132.00 144.77 1z94 h PRO 25 Ca -0.35 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 1z94 h PRO 25 Cb 1.16 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1z94 h PRO 25 CO 0.98 0.24 -0.43 -0.07 -0.23 0.00 0.00 178.00 178.49 1z94 h LEU 26 N 0.37 0.91 -0.22 1.56 3.38 -1.97 -1.92 115.31 117.43 1z94 h LEU 26 Ca 0.28 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1z94 h LEU 26 Cb 0.61 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1z94 h LEU 26 CO -0.07 1.21 -0.13 0.00 0.09 0.00 0.00 178.44 179.53 1z94 h ALA 27 N 0.82 0.31 -0.88 1.53 0.00 -1.57 -3.15 119.26 116.33 1z94 h ALA 27 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1z94 h ALA 27 Cb 1.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1z94 h ALA 27 CO 0.10 0.18 0.58 -0.07 0.00 0.00 0.00 179.25 180.04 1z94 h LEU 28 N 0.18 0.99 -2.43 0.00 3.38 -0.99 -0.51 115.31 115.93 1z94 h LEU 28 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1z94 h LEU 28 Cb 0.64 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1z94 h LEU 28 CO 0.04 0.71 -0.03 0.00 0.09 0.00 0.00 178.44 179.24 1z94 h ALA 29 N 1.33 1.27 0.04 1.53 0.00 -1.35 -1.54 119.26 120.55 1z94 h ALA 29 Ca 0.33 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.86 1z94 h ALA 29 Cb -0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1z94 h ALA 29 CO -0.08 0.04 -2.00 1.17 0.00 0.00 0.00 179.25 178.38 1z94 n LYS 30 N -3.52 0.65 -0.05 0.00 4.81 -0.49 -4.30 118.16 115.25 1z94 n LYS 30 Ca -0.02 0.33 -0.07 0.00 -0.87 0.00 0.00 58.31 57.68 1z94 n LYS 30 Cb 0.13 -1.64 -0.14 0.00 0.02 0.00 0.00 35.03 33.40 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 -3.88 0.48 0.39 5.64 4.27 -0.32 -4.66 117.44 119.36 1z94 n TRP 31 Ca -0.40 0.17 -0.18 0.00 -3.89 0.00 0.00 57.50 53.21 1z94 n TRP 31 Cb 0.90 -1.05 -0.09 0.00 -1.36 0.00 0.00 31.31 29.71 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 -0.83 -9.58 5.67 6.46 -1.49 -3.42 115.31 112.12 1z94 h LEU 32 Ca -0.37 0.01 -0.52 0.00 -0.12 0.00 0.00 57.88 56.87 1z94 h LEU 32 Cb 2.01 0.21 0.05 0.00 -0.73 0.00 0.00 40.66 42.20 1z94 h LEU 32 CO 0.05 -0.55 1.00 -2.16 -0.62 0.00 0.00 178.44 176.16 1z94 s PRO 33 N -5.73 4.16 1.14 5.25 0.04 -1.26 -4.69 135.00 133.90 1z94 s PRO 33 Ca -0.17 2.51 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1z94 s PRO 33 Cb 0.03 -3.28 0.29 0.00 0.04 0.00 0.00 34.50 31.57 1z94 s PRO 33 CO 0.58 -0.74 0.87 -0.35 0.04 0.00 0.00 177.00 177.40 1z94 n PRO 34 N 4.59 -3.46 -1.67 0.56 -0.04 -1.26 -4.78 135.00 128.93 1z94 n PRO 34 Ca 0.16 -1.41 -0.45 0.00 -0.04 0.00 0.00 63.50 61.75 1z94 n PRO 34 Cb 0.37 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1z94 n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1z94 n GLU 35 N -4.71 2.10 -0.94 0.54 1.02 -1.26 -1.78 120.64 115.61 1z94 n GLU 35 Ca 0.13 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1z94 n GLU 35 Cb 0.51 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 2.73 0.80 3.38 0.62 0.00 -1.26 -5.03 105.19 106.42 1z94 n GLY 36 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.13 2.24 0.29 1.61 0.08 -0.73 -0.76 117.98 117.58 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 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.18 1z94 s PHE 37 CO 0.00 0.32 -0.12 0.14 -0.10 0.00 0.00 175.22 175.46 1z94 s VAL 38 N -1.07 2.64 -0.00 -0.44 -7.23 -0.38 -4.67 120.40 109.25 1z94 s VAL 38 Ca 0.13 -2.23 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 1z94 s VAL 38 Cb -0.10 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1z94 s VAL 38 CO 0.06 -0.34 -0.09 0.00 -0.31 0.00 0.00 175.10 174.42 1z94 s LYS 40 N -0.27 2.86 -0.36 0.00 2.20 -0.73 -4.82 119.74 118.63 1z94 s LYS 40 Ca 0.03 -0.79 -0.21 0.00 -0.36 0.00 0.00 55.97 54.64 1z94 s LYS 40 Cb -0.04 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 1z94 s LYS 40 CO -0.00 -0.14 0.69 0.08 -0.36 0.00 0.00 175.35 175.62 1z94 s VAL 41 N 1.14 4.83 -0.04 4.02 1.01 -1.26 -1.90 120.40 128.19 1z94 s VAL 41 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.75 1z94 s VAL 41 Cb -0.14 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 1z94 s VAL 41 CO -0.08 -0.35 0.66 -0.07 0.00 0.00 0.00 175.10 175.26 1z94 h LEU 42 N 9.50 0.16 -7.38 3.92 4.07 -0.68 -3.48 115.31 121.42 1z94 h LEU 42 Ca -0.26 -0.31 -0.13 0.00 0.08 0.00 0.00 57.88 57.26 1z94 h LEU 42 Cb 1.10 -0.05 -0.24 0.00 1.08 0.00 0.00 40.66 42.55 1z94 h LEU 42 CO 0.86 1.27 -0.29 -0.70 -1.08 0.00 0.00 178.44 178.50 1z94 s GLU 43 N -2.60 0.45 -0.43 1.13 2.56 -0.68 -4.88 118.70 114.25 1z94 s GLU 43 Ca -0.09 0.41 0.08 0.00 0.00 0.00 0.00 54.97 55.37 1z94 s GLU 43 Cb 0.08 0.22 0.31 0.00 2.00 0.00 0.00 34.13 36.73 1z94 s GLU 43 CO 0.82 -0.07 0.89 -2.39 -0.56 0.00 0.00 175.26 173.95 1z94 n HIS 44 N 2.68 -1.68 -2.74 5.30 1.44 -1.25 -0.55 115.22 118.41 1z94 n HIS 44 Ca -0.14 -2.78 -0.42 0.00 -2.01 0.00 0.00 57.72 52.37 1z94 n HIS 44 Cb 0.57 0.74 -0.03 0.00 0.12 0.00 0.00 29.99 31.39 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 -1.70 6.46 -1.38 4.39 2.15 -0.37 -4.92 116.67 121.32 1z94 s ASP 45 Ca 0.31 -1.50 -0.11 0.00 0.43 0.00 0.00 52.55 51.68 1z94 s ASP 45 Cb 0.29 -2.48 -0.06 0.00 -0.30 0.00 0.00 42.92 40.37 1z94 s ASP 45 CO -0.10 -1.37 2.55 0.00 -0.17 0.00 0.00 175.17 176.08 1z94 n ALA 46 N 7.88 6.21 -2.79 3.66 0.00 -1.26 -4.01 120.51 130.20 1z94 n ALA 46 Ca 0.21 -3.29 -0.15 0.00 0.00 0.00 0.00 53.44 50.20 1z94 n ALA 46 Cb 0.49 -3.36 -0.12 0.00 0.00 0.00 0.00 19.45 16.46 1z94 n ALA 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1z94 s ARG 47 N 2.88 0.66 0.12 0.00 0.52 -1.26 -5.04 118.95 116.83 1z94 s ARG 47 Ca 0.58 -0.85 -0.31 0.00 -0.52 0.00 0.00 55.73 54.62 1z94 s ARG 47 Cb 0.15 -0.53 -0.11 0.00 0.52 0.00 0.00 34.95 34.98 1z94 s ARG 47 CO -0.05 0.11 1.83 0.28 0.02 0.00 0.00 175.30 177.50 1z94 n VAL 48 N 1.37 0.36 0.00 3.52 0.31 -1.26 0.20 118.33 122.82 1z94 n VAL 48 Ca -0.22 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1z94 n VAL 48 Cb 0.54 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 4.22 1.93 3.84 2.92 0.00 0.22 -4.98 105.19 113.33 1z94 n GLY 49 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.26 1.97 0.17 -0.02 0.00 0.13 -4.71 107.32 102.60 1z94 s GLY 50 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.90 1z94 s GLY 50 CO 0.00 0.45 0.32 0.00 0.00 0.00 0.00 173.10 173.87 1z94 s ALA 51 N -2.73 3.92 0.05 3.20 0.00 -1.26 -1.67 121.76 123.27 1z94 s ALA 51 Ca 0.59 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1z94 s ALA 51 Cb -0.12 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1z94 s ALA 51 CO 0.38 0.50 -0.07 1.52 0.00 0.00 0.00 175.76 178.09 1z94 s TYR 52 N -1.79 0.65 0.06 0.00 -0.85 -0.70 -1.23 117.35 113.49 1z94 s TYR 52 Ca 0.36 -0.56 -0.17 0.00 -0.52 0.00 0.00 57.07 56.18 1z94 s TYR 52 Cb -0.11 -0.39 0.03 0.00 0.38 0.00 0.00 41.96 41.87 1z94 s TYR 52 CO 0.29 -0.11 0.40 0.21 -1.52 0.00 0.00 175.55 174.82 1z94 s LYS 53 N -1.84 0.95 -0.27 -3.49 2.20 0.29 -2.14 119.74 115.43 1z94 s LYS 53 Ca -0.08 -0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 54.85 1z94 s LYS 53 Cb -0.08 0.42 0.07 0.00 -1.51 0.00 0.00 37.83 36.73 1z94 s LYS 53 CO -0.00 -0.34 0.71 -1.83 -0.36 0.00 0.00 175.35 173.53 1z94 s GLU 55 N -2.83 0.79 -0.11 4.03 -1.05 -0.80 0.19 118.70 118.92 1z94 s GLU 55 Ca -0.03 1.08 -0.04 0.00 -0.15 0.00 0.00 54.97 55.82 1z94 s GLU 55 Cb -0.00 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 1z94 s GLU 55 CO -0.05 -0.12 0.06 -0.06 0.95 0.00 0.00 175.26 176.04 1z94 s PHE 56 N 0.85 3.34 -0.09 4.83 0.08 0.76 -1.77 117.98 125.98 1z94 s PHE 56 Ca -0.04 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.33 1z94 s PHE 56 Cb -0.05 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1z94 s PHE 56 CO -0.07 0.53 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.93 1z94 s LEU 57 N -0.78 1.66 -0.10 -0.37 1.02 -0.49 -0.40 118.68 119.22 1z94 s LEU 57 Ca 0.13 -0.36 -0.30 0.00 0.02 0.00 0.00 54.13 53.62 1z94 s LEU 57 Cb -0.12 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 1z94 s LEU 57 CO 0.03 0.02 1.43 0.00 0.02 0.00 0.00 176.35 177.85 1z94 s ALA 58 N 0.84 3.63 0.17 4.21 0.00 -0.08 -1.24 121.76 129.30 1z94 s ALA 58 Ca -0.10 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1z94 s ALA 58 Cb -0.15 -3.67 0.11 0.00 0.00 0.00 0.00 23.12 19.41 1z94 s ALA 58 CO 0.01 -1.23 1.76 0.35 0.00 0.00 0.00 175.76 176.65 1z94 h PHE 59 N 8.68 0.30 -0.59 0.00 3.57 -1.28 0.16 116.94 127.78 1z94 h PHE 59 Ca -0.33 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.16 1z94 h PHE 59 Cb 1.14 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1z94 h PHE 59 CO 0.83 0.12 0.26 0.00 -2.23 0.00 0.00 178.31 177.29 1z94 h ALA 60 N 1.27 0.77 0.00 2.41 0.00 -1.91 -3.33 119.26 118.47 1z94 h ALA 60 Ca 0.20 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1z94 h ALA 60 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1z94 h ALA 60 CO -0.19 0.36 -2.08 -1.13 0.00 0.00 0.00 179.25 176.21 1z94 n SER 61 N -4.50 0.29 0.00 0.00 3.41 -1.20 -4.99 113.62 106.64 1z94 n SER 61 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1z94 n SER 61 Cb 0.15 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 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 1.52 0.82 3.68 5.00 0.00 0.56 -5.01 105.19 111.75 1z94 n GLY 62 Ca -0.14 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.36 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 1.70 -4.07 1.61 7.27 -1.25 -4.63 117.38 116.01 1z94 n GLN 63 Ca 0.00 0.62 -0.31 0.00 0.07 0.00 0.00 57.00 57.38 1z94 n GLN 63 Cb 0.00 -2.37 -0.07 0.00 2.41 0.00 0.00 30.24 30.21 1z94 n GLN 63 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1z94 s LYS 64 N 2.99 2.96 -0.06 3.69 1.02 -1.26 -0.90 119.74 128.18 1z94 s LYS 64 Ca 0.92 -0.61 -0.03 0.00 0.02 0.00 0.00 55.97 56.27 1z94 s LYS 64 Cb -0.85 -2.78 0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1z94 s LYS 64 CO 0.54 0.59 0.11 -1.01 -0.92 0.00 0.00 175.35 174.66 1z94 s HIS 65 N -1.33 -0.06 -0.04 3.18 3.76 0.46 -4.98 115.29 116.28 1z94 s HIS 65 Ca 0.27 0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 55.61 1z94 s HIS 65 Cb -0.12 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 1z94 s HIS 65 CO 0.20 -0.22 0.01 0.00 -0.85 0.00 0.00 174.74 173.87 1z94 s ALA 66 N 2.16 3.32 0.22 -1.40 0.00 -1.26 -0.17 121.76 124.63 1z94 s ALA 66 Ca 0.03 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 1z94 s ALA 66 Cb -0.12 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1z94 s ALA 66 CO -0.04 0.62 0.47 -0.59 0.00 0.00 0.00 175.76 176.22 1z94 s PHE 67 N -1.00 0.20 -0.10 0.00 -0.71 -1.26 -3.35 117.98 111.76 1z94 s PHE 67 Ca 0.17 -0.56 -0.31 0.00 -1.04 0.00 0.00 56.93 55.19 1z94 s PHE 67 Cb -0.11 0.23 0.10 0.00 -1.21 0.00 0.00 43.02 42.03 1z94 s PHE 67 CO 0.07 -0.93 1.38 0.20 -1.34 0.00 0.00 175.22 174.60 1z94 s GLY 68 N -2.96 -0.23 0.00 1.99 0.00 -1.02 -4.50 107.32 100.59 1z94 s GLY 68 Ca 0.17 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1z94 s GLY 68 CO 0.04 6.72 0.00 0.61 0.00 0.00 0.00 173.10 180.46 1z94 n GLY 69 N -0.97 -0.56 3.10 0.20 0.00 -0.91 -1.35 105.19 104.71 1z94 n GLY 69 Ca 0.06 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.20 0.67 0.12 1.61 0.52 -1.25 -1.72 118.95 118.70 1z94 s ARG 70 Ca 0.00 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 1z94 s ARG 70 Cb 0.00 -0.57 -0.06 0.00 0.52 0.00 0.00 34.95 34.84 1z94 s ARG 70 CO 0.00 0.12 0.97 0.71 0.02 0.00 0.00 175.30 177.12 1z94 s TYR 71 N -1.17 3.81 -0.16 -0.53 2.02 -0.67 -0.98 117.35 119.67 1z94 s TYR 71 Ca -0.05 1.79 0.08 0.00 -0.37 0.00 0.00 57.07 58.53 1z94 s TYR 71 Cb -0.09 -3.06 -0.15 0.00 -0.40 0.00 0.00 41.96 38.25 1z94 s TYR 71 CO 0.01 0.17 -0.03 1.28 -1.57 0.00 0.00 175.55 175.41 1z94 n LEU 72 N 2.74 1.14 -3.91 -1.29 4.77 0.10 0.69 117.00 121.24 1z94 n LEU 72 Ca 0.02 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1z94 n LEU 72 Cb 0.49 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1z94 n LEU 72 CO 0.51 0.53 -0.38 -1.61 -1.33 0.00 0.00 177.39 175.11 1z94 s GLU 73 N -2.35 0.19 -0.39 3.23 2.02 -1.09 -4.77 118.70 115.53 1z94 s GLU 73 Ca -0.14 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.78 1z94 s GLU 73 Cb 0.05 -0.17 0.16 0.00 0.10 0.00 0.00 34.13 34.27 1z94 s GLU 73 CO 0.52 0.05 0.39 -0.51 0.02 0.00 0.00 175.26 175.72 1z94 s LEU 74 N -0.12 0.25 -0.45 1.80 1.43 -1.26 -1.93 118.68 118.40 1z94 s LEU 74 Ca 0.00 -2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 50.97 1z94 s LEU 74 Cb -0.01 0.36 0.09 0.00 0.03 0.00 0.00 46.19 46.66 1z94 s LEU 74 CO -0.00 -0.22 0.33 -0.69 0.23 0.00 0.00 176.35 176.00 1z94 s VAL 75 N 1.01 4.53 -0.42 -1.59 1.01 -0.24 -5.00 120.40 119.69 1z94 s VAL 75 Ca 0.22 -1.42 -0.38 0.00 0.00 0.00 0.00 61.98 60.41 1z94 s VAL 75 Cb -0.11 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.30 1z94 s VAL 75 CO -0.06 -0.61 1.67 -2.65 0.00 0.00 0.00 175.10 173.45 1z94 n PRO 76 N 5.01 0.00 -1.20 2.72 -0.02 -1.26 -0.34 135.00 139.91 1z94 n PRO 76 Ca -0.10 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 1z94 n PRO 76 Cb 0.42 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 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 5.50 0.87 0.55 -1.23 0.00 -1.26 -4.82 105.19 104.79 1z94 n GLY 77 Ca 0.41 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.29 0.00 -3.72 1.61 1.02 0.54 -4.59 120.64 113.20 1z94 n GLU 78 Ca -0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 1z94 n GLU 78 Cb 0.29 -0.40 -0.09 0.00 -0.02 0.00 0.00 31.44 31.21 1z94 n GLU 78 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1z94 s ARG 79 N -1.34 0.56 -0.05 3.49 6.06 -0.82 0.29 118.95 127.14 1z94 s ARG 79 Ca 0.00 0.43 -0.02 0.00 -2.50 0.00 0.00 55.73 53.64 1z94 s ARG 79 Cb 0.00 0.27 0.04 0.00 0.06 0.00 0.00 34.95 35.31 1z94 s ARG 79 CO 0.00 -0.10 0.11 0.42 -2.50 0.00 0.00 175.30 173.23 1z94 s ILE 80 N -0.14 -0.10 -0.02 4.11 1.01 -0.20 -1.08 121.20 124.77 1z94 s ILE 80 Ca -0.03 0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1z94 s ILE 80 Cb -0.03 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.25 1z94 s ILE 80 CO 0.02 0.10 -0.07 -0.60 0.00 0.00 0.00 174.94 174.40 1z94 s ARG 81 N 1.48 0.77 0.11 2.79 3.52 -0.81 0.66 118.95 127.47 1z94 s ARG 81 Ca -0.05 -0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 55.16 1z94 s ARG 81 Cb -0.12 -0.75 0.04 0.00 -1.56 0.00 0.00 34.95 32.56 1z94 s ARG 81 CO -0.05 0.06 0.44 1.52 -0.81 0.00 0.00 175.30 176.46 1z94 s TYR 82 N 0.32 -0.28 0.42 5.12 1.13 -0.88 0.01 117.35 123.19 1z94 s TYR 82 Ca -0.04 0.04 -0.02 0.00 -1.41 0.00 0.00 57.07 55.64 1z94 s TYR 82 Cb -0.09 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 1z94 s TYR 82 CO 0.00 -0.70 0.67 0.95 -2.51 0.00 0.00 175.55 173.97 1z94 s THR 83 N -3.50 4.97 -0.09 -3.49 -4.23 -0.15 -1.41 115.64 107.73 1z94 s THR 83 Ca 0.01 -0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1z94 s THR 83 Cb 0.01 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1z94 s THR 83 CO -0.10 -0.70 0.23 -0.62 -0.54 0.00 0.00 174.62 172.89 1z94 s ASP 84 N -4.08 -0.24 -0.21 3.99 -1.08 -1.26 -3.79 116.67 109.99 1z94 s ASP 84 Ca 0.44 0.48 -0.11 0.00 -0.52 0.00 0.00 52.55 52.84 1z94 s ASP 84 Cb -0.10 0.43 0.07 0.00 -1.46 0.00 0.00 42.92 41.86 1z94 s ASP 84 CO 0.41 -0.12 0.50 -0.60 0.52 0.00 0.00 175.17 175.87 1z94 s ARG 85 N 0.65 0.47 0.51 4.34 3.52 -0.46 -4.25 118.95 123.74 1z94 s ARG 85 Ca -0.04 0.98 -0.08 0.00 -0.13 0.00 0.00 55.73 56.46 1z94 s ARG 85 Cb -0.06 0.13 0.12 0.00 -1.56 0.00 0.00 34.95 33.58 1z94 s ARG 85 CO -0.04 -0.17 0.70 1.19 -0.81 0.00 0.00 175.30 176.17 1z94 n PHE 86 N 4.54 -3.91 -1.73 5.12 3.72 -1.26 -2.44 117.46 121.50 1z94 n PHE 86 Ca -0.19 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 1z94 n PHE 86 Cb 0.55 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1z94 n PHE 86 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1z94 n ASP 87 N -3.41 0.00 0.00 4.37 5.68 -1.21 -4.95 116.55 117.03 1z94 n ASP 87 Ca 0.09 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1z94 n ASP 87 Cb 0.31 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1z94 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1z94 n ASP 88 N 0.00 0.00 -3.37 -1.12 -0.08 -1.26 -5.10 116.55 105.62 1z94 n ASP 88 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1z94 n ASP 88 Cb 0.63 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.01 1z94 n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1z94 s ALA 89 N -2.11 -0.67 0.00 -1.67 0.00 -1.26 -4.80 121.76 111.26 1z94 s ALA 89 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1z94 s ALA 89 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1z94 s ALA 89 CO 0.00 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.41 1z94 n GLY 90 N 5.23 0.59 0.00 0.00 0.00 -1.26 -5.13 105.19 104.63 1z94 n GLY 90 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1z94 n GLY 90 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1z94 n LEU 91 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.86 117.00 111.87 1z94 n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1z94 n LEU 91 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1z94 n LEU 91 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 177.39 174.74 1z94 n PRO 92 N 0.00 0.00 -0.44 1.47 -0.02 -1.26 -4.64 135.00 130.10 1z94 n PRO 92 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1z94 n PRO 92 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1z94 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z94 n GLY 93 N 0.00 -0.51 1.60 -1.23 0.00 -1.26 -4.47 105.19 99.33 1z94 n GLY 93 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1z94 n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1z94 n ASP 94 N -4.37 -2.84 -3.63 1.61 8.00 -1.26 -4.73 116.55 109.33 1z94 n ASP 94 Ca -0.00 -0.50 -0.03 0.00 0.71 0.00 0.00 54.79 54.97 1z94 n ASP 94 Cb 0.54 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1z94 n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1z94 s ILE 96 N -1.62 -0.50 -0.11 0.53 1.09 -0.01 -4.75 121.20 115.83 1z94 s ILE 96 Ca 0.34 0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.89 1z94 s ILE 96 Cb -0.05 -1.00 -0.02 0.00 -1.06 0.00 0.00 42.46 40.33 1z94 s ILE 96 CO 0.28 0.00 -0.13 0.42 -0.10 0.00 0.00 174.94 175.41 1z94 s THR 97 N 2.27 3.10 -0.15 2.92 -4.23 -0.50 -1.16 115.64 117.89 1z94 s THR 97 Ca -0.07 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1z94 s THR 97 Cb -0.08 -2.28 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 1z94 s THR 97 CO -0.19 0.54 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.39 1z94 s THR 98 N 0.01 2.63 -0.17 3.99 2.01 0.16 -2.07 115.64 122.21 1z94 s THR 98 Ca -0.04 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1z94 s THR 98 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1z94 s THR 98 CO 0.04 0.52 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.80 1z94 s ILE 99 N 0.77 3.50 -0.09 1.82 1.01 0.21 -1.32 121.20 127.10 1z94 s ILE 99 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1z94 s ILE 99 Cb -0.15 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1z94 s ILE 99 CO 0.00 0.48 -0.17 0.42 0.00 0.00 0.00 174.94 175.67 1z94 s THR 100 N 0.71 1.56 -0.02 2.92 -4.23 -0.42 -1.04 115.64 115.12 1z94 s THR 100 Ca -0.03 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 1z94 s THR 100 Cb -0.15 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1z94 s THR 100 CO 0.02 0.45 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.53 1z94 s LEU 101 N 0.60 2.05 0.02 4.79 1.43 0.14 -1.75 118.68 125.97 1z94 s LEU 101 Ca -0.15 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1z94 s LEU 101 Cb -0.16 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1z94 s LEU 101 CO 0.05 0.31 -0.06 0.00 0.23 0.00 0.00 176.35 176.88 1z94 s ALA 102 N -0.58 0.42 0.48 4.21 0.00 -0.93 -4.43 121.76 120.93 1z94 s ALA 102 Ca 0.09 -0.53 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 1z94 s ALA 102 Cb -0.10 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 1z94 s ALA 102 CO -0.01 -0.01 1.02 -1.25 0.00 0.00 0.00 175.76 175.52 1z94 s PRO 103 N -1.04 3.87 0.02 0.00 0.04 -1.26 -0.73 135.00 135.91 1z94 s PRO 103 Ca -0.07 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 1z94 s PRO 103 Cb -0.07 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1z94 s PRO 103 CO -0.00 -0.36 0.03 -0.51 0.04 0.00 0.00 177.00 176.20 1z94 s LEU 104 N -3.44 2.02 0.49 -3.56 1.43 -0.77 -4.76 118.68 110.08 1z94 s LEU 104 Ca 0.66 -0.46 0.16 0.00 -1.03 0.00 0.00 54.13 53.47 1z94 s LEU 104 Cb -0.15 0.32 1.18 0.00 0.03 0.00 0.00 46.19 47.57 1z94 s LEU 104 CO 0.19 -0.36 2.08 0.77 0.23 0.00 0.00 176.35 179.25 1z94 h SER 105 N 4.34 0.15 1.42 2.29 4.64 -2.00 0.51 113.55 124.89 1z94 h SER 105 Ca -0.32 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1z94 h SER 105 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1z94 h SER 105 CO 0.43 0.10 -0.25 0.00 -0.87 0.00 0.00 176.83 176.25 1z94 n GLY 107 N 1.25 -0.87 3.25 0.00 0.00 0.17 -3.99 105.19 105.00 1z94 n GLY 107 Ca 0.04 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.84 -0.20 4.61 0.00 -0.31 -1.85 121.76 122.17 1z94 s ALA 108 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1z94 s ALA 108 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1z94 s ALA 108 CO 0.00 -0.25 0.09 0.34 0.00 0.00 0.00 175.76 175.94 1z94 s ASP 109 N -1.09 5.74 -0.13 0.00 -1.08 0.09 -0.83 116.67 119.37 1z94 s ASP 109 Ca -0.11 0.08 0.02 0.00 -0.52 0.00 0.00 52.55 52.01 1z94 s ASP 109 Cb -0.05 -2.00 -0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1z94 s ASP 109 CO 0.04 0.13 -0.19 -0.22 0.52 0.00 0.00 175.17 175.45 1z94 s LEU 110 N 0.62 2.32 -0.03 -1.34 2.96 0.71 -2.19 118.68 121.74 1z94 s LEU 110 Ca 0.05 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1z94 s LEU 110 Cb -0.13 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1z94 s LEU 110 CO 0.01 0.13 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.58 1z94 s SER 111 N 0.52 1.93 -0.04 3.68 0.01 -0.72 -0.71 113.70 118.37 1z94 s SER 111 Ca -0.12 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.85 1z94 s SER 111 Cb -0.17 -0.41 0.01 0.00 0.21 0.00 0.00 66.02 65.66 1z94 s SER 111 CO 0.05 0.16 -0.10 -0.63 0.41 0.00 0.00 173.24 173.13 1z94 s ILE 112 N -0.10 0.87 -0.11 1.44 -1.09 0.20 -1.30 121.20 121.12 1z94 s ILE 112 Ca 0.00 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1z94 s ILE 112 Cb -0.09 -0.79 0.02 0.00 -1.58 0.00 0.00 42.46 40.02 1z94 s ILE 112 CO 0.01 0.28 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.17 1z94 s VAL 113 N 0.38 1.37 -0.27 2.92 1.01 -0.44 -1.19 120.40 124.18 1z94 s VAL 113 Ca -0.07 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1z94 s VAL 113 Cb -0.11 -1.28 0.07 0.00 0.00 0.00 0.00 36.38 35.06 1z94 s VAL 113 CO 0.01 0.42 -0.05 -1.58 0.00 0.00 0.00 175.10 173.91 1z94 s GLN 114 N 1.15 1.78 0.13 2.72 0.74 -0.51 0.39 119.66 126.05 1z94 s GLN 114 Ca -0.04 -1.31 0.06 0.00 0.05 0.00 0.00 55.36 54.12 1z94 s GLN 114 Cb -0.14 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 1z94 s GLN 114 CO -0.03 -0.68 -0.01 -1.83 -0.55 0.00 0.00 175.29 172.19 1z94 s GLU 115 N 1.19 2.44 0.00 1.67 -1.05 -0.31 -1.01 118.70 121.64 1z94 s GLU 115 Ca -0.03 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 1z94 s GLU 115 Cb -0.19 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.07 1z94 s GLU 115 CO -0.07 0.49 0.00 0.41 0.95 0.00 0.00 175.26 177.04 1z94 n GLY 116 N 0.23 0.66 3.69 -3.83 0.00 -0.82 -0.83 105.19 104.29 1z94 n GLY 116 Ca -0.11 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1z94 n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1z94 s ILE 117 N -2.00 2.89 0.31 -0.61 -1.09 -0.09 -4.62 121.20 115.99 1z94 s ILE 117 Ca 0.00 0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 58.48 1z94 s ILE 117 Cb 0.00 -3.23 -0.12 0.00 -1.58 0.00 0.00 42.46 37.53 1z94 s ILE 117 CO 0.00 -0.00 1.36 -0.81 -1.23 0.00 0.00 174.94 174.26 1z94 n PRO 118 N 5.64 2.20 0.22 2.79 -0.04 -1.26 -0.72 135.00 143.82 1z94 n PRO 118 Ca 0.16 0.78 0.13 0.00 -0.04 0.00 0.00 63.50 64.53 1z94 n PRO 118 Cb 0.40 -2.41 0.68 0.00 -0.04 0.00 0.00 33.50 32.13 1z94 n PRO 118 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1z94 h ASP 119 N 3.22 0.00 0.49 3.54 3.32 -1.91 -0.58 116.42 124.50 1z94 h ASP 119 Ca -0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 1z94 h ASP 119 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1z94 h ASP 119 CO 0.68 0.00 -0.33 0.00 -1.72 0.00 0.00 179.24 177.87 1z94 h ALA 120 N 1.73 1.26 -2.33 3.45 0.00 -1.93 -3.41 119.26 118.03 1z94 h ALA 120 Ca 0.00 -0.30 -0.63 0.00 0.00 0.00 0.00 54.91 53.98 1z94 h ALA 120 Cb 0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 1z94 h ALA 120 CO 0.00 0.41 0.14 0.42 0.00 0.00 0.00 179.25 180.22 1z94 s ILE 121 N -4.04 4.90 0.09 0.00 -1.09 -0.23 -5.02 121.20 115.82 1z94 s ILE 121 Ca -0.02 0.61 -0.32 0.00 -2.23 0.00 0.00 60.65 58.68 1z94 s ILE 121 Cb 0.13 -4.07 -0.11 0.00 -1.58 0.00 0.00 42.46 36.83 1z94 s ILE 121 CO 0.69 -0.29 1.80 -2.65 -1.23 0.00 0.00 174.94 173.26 1z94 n PRO 122 N 6.02 2.58 -0.27 2.79 -0.02 -1.26 -4.84 135.00 140.00 1z94 n PRO 122 Ca -0.01 0.94 0.14 0.00 -2.02 0.00 0.00 63.50 62.55 1z94 n PRO 122 Cb 0.49 -2.81 0.42 0.00 -0.02 0.00 0.00 33.50 31.58 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 8.21 0.59 -0.18 0.52 0.11 -1.93 -1.09 132.00 138.24 1z94 h PRO 123 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1z94 h PRO 123 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1z94 h PRO 123 CO 0.94 0.39 0.12 1.05 -0.21 0.00 0.00 178.00 180.28 1z94 h GLU 124 N 0.60 0.23 0.00 1.05 4.11 -2.00 0.02 114.58 118.59 1z94 h GLU 124 Ca 0.47 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.80 1z94 h GLU 124 Cb 0.89 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1z94 h GLU 124 CO -0.22 0.15 -0.39 -0.91 0.07 0.00 0.00 179.01 177.71 1z94 h ASN 125 N 0.24 0.00 -0.04 3.06 2.35 -1.56 -1.11 115.58 118.52 1z94 h ASN 125 Ca 0.06 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 1z94 h ASN 125 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1z94 h ASN 125 CO -0.01 0.39 -0.67 0.00 -1.65 0.00 0.00 177.43 175.49 1z94 h TYR 127 N 0.48 0.81 -0.79 0.00 0.05 -1.20 -1.16 116.97 115.16 1z94 h TYR 127 Ca -0.02 -0.27 -0.03 0.00 0.05 0.00 0.00 58.73 58.46 1z94 h TYR 127 Cb 1.27 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.81 1z94 h TYR 127 CO 0.06 1.02 0.38 -0.07 -1.05 0.00 0.00 178.16 178.50 1z94 h LEU 128 N 0.37 1.03 -0.07 3.88 3.38 -1.17 0.85 115.31 123.58 1z94 h LEU 128 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1z94 h LEU 128 Cb 0.93 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1z94 h LEU 128 CO 0.08 0.88 0.01 1.23 0.09 0.00 0.00 178.44 180.73 1z94 h GLY 129 N 1.12 0.12 1.72 0.83 0.00 -0.96 -2.76 103.07 103.13 1z94 h GLY 129 Ca 0.27 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 1z94 h GLY 129 CO -0.03 0.08 -0.24 1.49 0.00 0.00 0.00 176.54 177.84 1z94 h TRP 130 N -0.13 0.36 -0.78 5.60 4.06 -1.04 -1.60 115.95 122.42 1z94 h TRP 130 Ca 0.02 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 1z94 h TRP 130 Cb 0.28 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 1z94 h TRP 130 CO 0.02 0.55 0.29 1.96 -3.56 0.00 0.00 178.44 177.70 1z94 h GLN 131 N 0.30 1.19 -0.28 0.49 4.20 -0.78 0.86 115.11 121.08 1z94 h GLN 131 Ca 0.05 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 1z94 h GLN 131 Cb 0.59 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1z94 h GLN 131 CO 0.04 0.97 -0.19 1.96 -0.67 0.00 0.00 178.83 180.95 1z94 h GLN 132 N 1.15 0.62 -0.18 1.46 4.20 -1.18 -2.43 115.11 118.76 1z94 h GLN 132 Ca 0.26 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 1z94 h GLN 132 Cb 0.25 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1z94 h GLN 132 CO -0.02 0.89 -0.40 0.77 -0.67 0.00 0.00 178.83 179.40 1z94 h SER 133 N 0.36 0.42 0.32 1.46 0.02 -1.10 -2.55 113.55 112.48 1z94 h SER 133 Ca 0.06 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 1z94 h SER 133 Cb 0.73 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1z94 h SER 133 CO 0.05 0.78 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.96 1z94 h LEU 134 N 0.34 0.21 -0.56 5.07 3.38 -0.79 0.42 115.31 123.38 1z94 h LEU 134 Ca 0.03 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1z94 h LEU 134 Cb 0.85 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1z94 h LEU 134 CO 0.07 0.67 -0.06 0.50 0.09 0.00 0.00 178.44 179.72 1z94 h LYS 135 N 0.16 1.03 -0.22 1.13 3.64 -1.21 -1.97 116.57 119.13 1z94 h LYS 135 Ca 0.01 -0.36 -0.13 0.00 -1.27 0.00 0.00 60.65 58.90 1z94 h LYS 135 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1z94 h LYS 135 CO 0.07 1.04 -0.43 1.96 -2.27 0.00 0.00 179.45 179.83 1z94 h GLN 136 N 0.91 0.52 -0.26 1.90 4.20 -1.05 -2.76 115.11 118.58 1z94 h GLN 136 Ca 0.15 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1z94 h GLN 136 Cb 0.62 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1z94 h GLN 136 CO 0.04 0.85 0.14 1.25 -0.67 0.00 0.00 178.83 180.44 1z94 h LEU 137 N 0.43 0.33 -0.66 1.46 5.85 -0.67 -2.40 115.31 119.65 1z94 h LEU 137 Ca 0.03 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1z94 h LEU 137 Cb 0.92 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1z94 h LEU 137 CO 0.08 0.33 0.40 0.00 -0.34 0.00 0.00 178.44 178.91 1z94 h ALA 138 N 1.02 0.87 -0.17 1.25 0.00 -1.29 -0.57 119.26 120.38 1z94 h ALA 138 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1z94 h ALA 138 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1z94 h ALA 138 CO -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.34 1z94 h ALA 139 N 1.30 1.65 0.06 0.00 0.00 -1.27 -0.61 119.26 120.40 1z94 h ALA 139 Ca 0.28 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1z94 h ALA 139 Cb 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1z94 h ALA 139 CO -0.13 0.26 -0.50 1.25 0.00 0.00 0.00 179.25 180.13 1z94 h LEU 140 N 0.24 0.33 0.00 0.00 5.85 -0.86 -3.40 115.31 117.47 1z94 h LEU 140 Ca 0.06 -0.90 -0.23 0.00 0.84 0.00 0.00 57.88 57.65 1z94 h LEU 140 Cb 0.21 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1z94 h LEU 140 CO 0.01 1.20 -1.37 0.58 -0.34 0.00 0.00 178.44 178.52 1z94 h VAL 141 N -0.50 0.95 -0.58 1.05 2.07 -1.03 -3.38 116.25 114.82 1z94 h VAL 141 Ca -0.08 -2.64 -0.07 0.00 0.82 0.00 0.00 66.70 64.73 1z94 h VAL 141 Cb 1.33 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1z94 h VAL 141 CO 0.09 0.54 0.09 -0.33 0.02 0.00 0.00 177.57 177.98 1z94 h GLU 142 N 0.00 0.95 -6.87 1.57 5.08 -1.32 -3.45 114.58 110.54 1z94 h GLU 142 Ca -0.17 -0.24 -0.57 0.00 -1.00 0.00 0.00 59.36 57.39 1z94 h GLU 142 Cb 1.80 -0.12 0.17 0.00 0.50 0.00 0.00 28.75 31.10 1z94 h GLU 142 CO 0.08 0.88 0.14 -2.30 -1.00 0.00 0.00 179.01 176.81 1z94 n PRO 143 N -4.23 0.82 -0.60 2.33 -0.02 -1.26 -4.80 135.00 127.24 1z94 n PRO 143 Ca 0.04 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1z94 n PRO 143 Cb 0.28 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1z94 n PRO 143 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23