#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 0.16 -4.45 2.55 4.13 -1.26 -4.82 115.26 111.57 1z94 n ASN 3 Ca 0.00 -1.05 -0.33 0.00 1.68 0.00 0.00 54.58 54.88 1z94 n ASN 3 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 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 -0.05 3.22 0.05 3.41 2.01 -1.26 -1.10 115.64 121.91 1z94 s THR 4 Ca 0.00 -0.63 0.09 0.00 0.31 0.00 0.00 61.69 61.45 1z94 s THR 4 Cb 0.00 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1z94 s THR 4 CO 0.00 0.56 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.61 1z94 s ILE 5 N -0.19 1.99 -0.05 1.82 1.09 0.19 -4.98 121.20 121.07 1z94 s ILE 5 Ca 0.01 -1.33 0.02 0.00 -1.10 0.00 0.00 60.65 58.24 1z94 s ILE 5 Cb -0.13 -1.71 0.02 0.00 -1.06 0.00 0.00 42.46 39.58 1z94 s ILE 5 CO 0.03 0.31 -0.07 -0.13 -0.10 0.00 0.00 174.94 174.98 1z94 s ARG 6 N -1.23 1.04 0.04 2.79 0.52 -1.26 -0.70 118.95 120.16 1z94 s ARG 6 Ca 0.10 -0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.15 1z94 s ARG 6 Cb -0.10 -0.97 -0.02 0.00 0.52 0.00 0.00 34.95 34.39 1z94 s ARG 6 CO 0.02 -0.03 -0.12 -0.51 0.02 0.00 0.00 175.30 174.68 1z94 s LEU 7 N 0.74 2.19 -0.01 2.53 1.43 0.13 -4.99 118.68 120.70 1z94 s LEU 7 Ca -0.11 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1z94 s LEU 7 Cb -0.14 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.62 1z94 s LEU 7 CO 0.01 -0.03 -0.00 -1.00 0.23 0.00 0.00 176.35 175.56 1z94 s HIS 8 N -0.97 0.17 0.01 0.29 3.76 -1.26 -0.26 115.29 117.03 1z94 s HIS 8 Ca -0.01 0.01 -0.10 0.00 -0.15 0.00 0.00 55.06 54.81 1z94 s HIS 8 Cb -0.08 -0.21 0.01 0.00 1.11 0.00 0.00 32.58 33.40 1z94 s HIS 8 CO 0.01 -0.06 0.20 1.03 -0.85 0.00 0.00 174.74 175.08 1z94 s ARG 9 N 0.49 0.58 -0.18 1.40 1.81 -0.07 -5.02 118.95 117.97 1z94 s ARG 9 Ca -0.04 -0.39 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1z94 s ARG 9 Cb -0.07 0.25 -0.02 0.00 -0.45 0.00 0.00 34.95 34.66 1z94 s ARG 9 CO -0.01 -0.15 -0.03 0.08 -0.68 0.00 0.00 175.30 174.51 1z94 s VAL 10 N -1.62 3.78 0.03 3.52 1.01 -1.26 -0.18 120.40 125.69 1z94 s VAL 10 Ca -0.12 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1z94 s VAL 10 Cb -0.06 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1z94 s VAL 10 CO 0.01 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.64 1z94 s LEU 11 N 0.76 2.64 -1.24 3.92 1.43 0.49 -5.00 118.68 121.70 1z94 s LEU 11 Ca -0.01 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1z94 s LEU 11 Cb -0.14 -1.54 0.11 0.00 0.03 0.00 0.00 46.19 44.65 1z94 s LEU 11 CO 0.02 0.26 2.43 -1.20 0.23 0.00 0.00 176.35 178.09 1z94 n SER 12 N 1.60 7.90 -3.65 2.29 7.64 -1.26 -0.66 113.62 127.48 1z94 n SER 12 Ca -0.16 -3.14 -0.14 0.00 1.01 0.00 0.00 58.87 56.44 1z94 n SER 12 Cb 0.52 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.31 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 -1.19 -1.12 0.53 -0.43 0.00 -1.26 -4.49 121.76 113.80 1z94 s ALA 13 Ca 0.55 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 1z94 s ALA 13 Cb 0.20 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.48 1z94 s ALA 13 CO -0.11 -0.40 1.12 -1.25 0.00 0.00 0.00 175.76 175.12 1z94 s PRO 14 N -1.96 3.45 0.28 0.00 0.04 -1.26 -1.43 135.00 134.12 1z94 s PRO 14 Ca -0.08 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1z94 s PRO 14 Cb -0.02 -2.05 0.65 0.00 0.04 0.00 0.00 34.50 33.12 1z94 s PRO 14 CO 0.02 -0.77 1.71 -1.35 0.04 0.00 0.00 177.00 176.65 1z94 h PRO 15 N 1.32 0.44 -0.95 0.56 0.11 -1.89 -1.64 132.00 129.94 1z94 h PRO 15 Ca -0.50 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1z94 h PRO 15 Cb 1.26 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1z94 h PRO 15 CO 0.57 0.29 0.63 1.49 -0.21 0.00 0.00 178.00 180.77 1z94 h GLU 16 N 0.45 1.22 -0.19 1.05 4.57 -1.91 0.08 114.58 119.84 1z94 h GLU 16 Ca 0.52 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 58.47 1z94 h GLU 16 Cb 0.91 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1z94 h GLU 16 CO -0.48 0.81 -0.53 -0.09 -1.18 0.00 0.00 179.01 177.53 1z94 h ARG 17 N 1.25 0.54 -0.33 1.92 2.43 -1.68 -2.28 114.38 116.23 1z94 h ARG 17 Ca 0.36 -0.33 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1z94 h ARG 17 Cb -0.08 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1z94 h ARG 17 CO -0.09 0.94 -0.38 0.28 -1.51 0.00 0.00 179.97 179.20 1z94 h VAL 18 N 0.42 1.28 -0.18 0.20 2.07 -1.14 -2.62 116.25 116.29 1z94 h VAL 18 Ca 0.01 -1.56 0.03 0.00 0.82 0.00 0.00 66.70 66.00 1z94 h VAL 18 Cb 1.07 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1z94 h VAL 18 CO 0.10 0.51 0.01 0.22 0.02 0.00 0.00 177.57 178.42 1z94 h TYR 19 N 0.65 0.00 -0.30 1.57 3.20 -0.84 -2.45 116.97 118.79 1z94 h TYR 19 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1z94 h TYR 19 Cb 0.94 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1z94 h TYR 19 CO 0.05 -0.02 0.13 0.00 -1.64 0.00 0.00 178.16 176.69 1z94 h ARG 20 N 0.06 0.41 0.00 1.82 3.08 -1.32 -1.77 114.38 116.67 1z94 h ARG 20 Ca 0.08 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1z94 h ARG 20 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1z94 h ARG 20 CO -0.13 0.34 -0.20 0.00 -1.07 0.00 0.00 179.97 178.90 1z94 h ALA 21 N 1.73 1.60 0.00 0.04 0.00 -1.05 0.18 119.26 121.77 1z94 h ALA 21 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1z94 h ALA 21 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1z94 h ALA 21 CO -0.01 0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.68 1z94 n PHE 22 N -4.21 0.00 0.00 0.00 3.72 -0.67 -3.98 117.46 112.32 1z94 n PHE 22 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1z94 n PHE 22 Cb 0.27 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 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 -1.46 0.00 -4.63 4.37 4.77 -0.82 -4.99 117.00 114.24 1z94 n LEU 23 Ca 0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1z94 n LEU 23 Cb 0.31 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1z94 n LEU 23 CO 0.26 0.00 1.33 -0.62 -1.33 0.00 0.00 177.39 177.03 1z94 s ASP 24 N -2.34 6.42 0.52 -1.43 3.68 0.58 -4.90 116.67 119.20 1z94 s ASP 24 Ca 0.00 1.55 0.22 0.00 2.13 0.00 0.00 52.55 56.45 1z94 s ASP 24 Cb 0.00 -2.53 1.34 0.00 -1.45 0.00 0.00 42.92 40.28 1z94 s ASP 24 CO 0.00 -1.23 2.05 1.55 0.13 0.00 0.00 175.17 177.67 1z94 h PRO 25 N 10.52 0.01 -0.09 4.34 0.13 -1.91 0.19 132.00 145.19 1z94 h PRO 25 Ca -0.32 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 1z94 h PRO 25 Cb 1.14 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1z94 h PRO 25 CO 1.01 0.01 -0.59 -0.07 -0.23 0.00 0.00 178.00 178.12 1z94 h LEU 26 N 0.01 0.34 -0.01 1.56 3.38 -1.97 -2.24 115.31 116.40 1z94 h LEU 26 Ca 0.16 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1z94 h LEU 26 Cb 0.64 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1z94 h LEU 26 CO -0.00 0.86 -0.24 0.00 0.09 0.00 0.00 178.44 179.14 1z94 h ALA 27 N 1.15 0.04 -0.49 1.53 0.00 -1.28 -3.29 119.26 116.92 1z94 h ALA 27 Ca -0.00 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1z94 h ALA 27 Cb 1.10 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1z94 h ALA 27 CO 0.10 0.08 0.23 -0.07 0.00 0.00 0.00 179.25 179.59 1z94 h LEU 28 N -0.49 0.33 -2.22 0.00 3.38 -0.73 -1.14 115.31 114.44 1z94 h LEU 28 Ca -0.03 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1z94 h LEU 28 Cb 0.99 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1z94 h LEU 28 CO 0.05 0.23 0.09 0.00 0.09 0.00 0.00 178.44 178.90 1z94 h ALA 29 N 1.27 1.83 0.11 1.53 0.00 -1.52 -1.25 119.26 121.23 1z94 h ALA 29 Ca 0.22 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.84 1z94 h ALA 29 Cb 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1z94 h ALA 29 CO -0.16 -0.15 -1.47 -0.22 0.00 0.00 0.00 179.25 177.25 1z94 h LYS 30 N 0.00 0.23 0.00 0.00 3.64 -1.32 -3.39 116.57 115.74 1z94 h LYS 30 Ca 0.05 -0.40 -0.35 0.00 -1.27 0.00 0.00 60.65 58.68 1z94 h LYS 30 Cb 0.23 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 1z94 h LYS 30 CO -0.00 1.19 -2.30 -2.67 -2.27 0.00 0.00 179.45 173.40 1z94 n TRP 31 N -3.90 0.11 0.29 1.91 4.27 -0.60 -4.69 117.44 114.83 1z94 n TRP 31 Ca -0.26 0.04 -0.16 0.00 -3.89 0.00 0.00 57.50 53.23 1z94 n TRP 31 Cb 0.90 -1.01 -0.08 0.00 -1.36 0.00 0.00 31.31 29.76 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 -0.59 -9.51 5.67 6.46 -1.44 -3.42 115.31 112.47 1z94 h LEU 32 Ca -0.51 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 56.73 1z94 h LEU 32 Cb 2.20 0.15 0.04 0.00 -0.73 0.00 0.00 40.66 42.32 1z94 h LEU 32 CO 0.03 -0.39 1.09 -2.16 -0.62 0.00 0.00 178.44 176.39 1z94 s PRO 33 N -5.91 4.14 1.29 5.25 0.04 -1.26 -4.69 135.00 133.87 1z94 s PRO 33 Ca -0.16 2.56 -0.20 0.00 0.04 0.00 0.00 61.00 63.24 1z94 s PRO 33 Cb 0.04 -3.57 0.32 0.00 0.04 0.00 0.00 34.50 31.33 1z94 s PRO 33 CO 0.62 -0.82 1.03 -1.25 0.04 0.00 0.00 177.00 176.61 1z94 s PRO 34 N 2.64 -1.91 0.13 0.56 0.04 -1.26 -4.76 135.00 130.43 1z94 s PRO 34 Ca 0.80 0.08 -0.35 0.00 0.04 0.00 0.00 61.00 61.57 1z94 s PRO 34 Cb -0.45 -1.50 -0.16 0.00 0.04 0.00 0.00 34.50 32.43 1z94 s PRO 34 CO 0.36 -4.20 1.35 0.39 0.04 0.00 0.00 177.00 174.93 1z94 n GLU 35 N -5.14 1.38 -0.93 4.56 1.02 -1.26 -1.60 120.64 118.68 1z94 n GLU 35 Ca 0.12 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1z94 n GLU 35 Cb 0.59 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 2.53 0.58 3.29 0.62 0.00 -1.26 -5.03 105.19 105.92 1z94 n GLY 36 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.20 1.90 0.43 1.61 0.08 -0.63 -1.12 117.98 118.05 1z94 s PHE 37 Ca 0.00 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.72 1z94 s PHE 37 Cb 0.00 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1z94 s PHE 37 CO 0.00 0.16 0.18 0.14 -0.10 0.00 0.00 175.22 175.60 1z94 s VAL 38 N -0.96 2.15 -0.05 -0.44 -7.23 -0.60 -4.71 120.40 108.56 1z94 s VAL 38 Ca 0.08 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1z94 s VAL 38 Cb -0.09 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 34.00 1z94 s VAL 38 CO 0.03 0.00 0.12 0.00 -0.31 0.00 0.00 175.10 174.94 1z94 s LYS 40 N 0.70 3.38 -0.33 0.00 2.20 -0.70 -4.80 119.74 120.20 1z94 s LYS 40 Ca -0.05 -0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 54.73 1z94 s LYS 40 Cb -0.07 -2.68 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1z94 s LYS 40 CO -0.03 0.15 0.36 0.08 -0.36 0.00 0.00 175.35 175.55 1z94 s VAL 41 N 0.53 5.17 -0.16 4.02 1.01 -1.26 -1.90 120.40 127.80 1z94 s VAL 41 Ca -0.08 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1z94 s VAL 41 Cb -0.16 -3.80 -0.23 0.00 0.00 0.00 0.00 36.38 32.19 1z94 s VAL 41 CO 0.04 -0.06 0.42 -0.07 0.00 0.00 0.00 175.10 175.44 1z94 h LEU 42 N 8.73 0.15 -8.14 3.92 -0.00 -1.04 -3.48 115.31 115.46 1z94 h LEU 42 Ca -0.30 -0.73 -0.40 0.00 -0.00 0.00 0.00 57.88 56.45 1z94 h LEU 42 Cb 1.15 -0.05 -0.27 0.00 -0.00 0.00 0.00 40.66 41.49 1z94 h LEU 42 CO 0.69 1.48 -0.78 -1.61 -0.00 0.00 0.00 178.44 178.22 1z94 s GLU 43 N -2.39 0.79 -0.40 1.13 2.02 -0.59 -4.91 118.70 114.35 1z94 s GLU 43 Ca -0.24 -0.50 0.10 0.00 0.02 0.00 0.00 54.97 54.36 1z94 s GLU 43 Cb 0.04 -0.75 0.37 0.00 0.10 0.00 0.00 34.13 33.88 1z94 s GLU 43 CO 0.68 0.20 1.05 -2.39 0.02 0.00 0.00 175.26 174.81 1z94 n HIS 44 N 2.45 -1.31 -2.64 1.61 1.44 -1.25 -0.81 115.22 114.71 1z94 n HIS 44 Ca -0.16 -2.63 -0.42 0.00 -2.01 0.00 0.00 57.72 52.51 1z94 n HIS 44 Cb 0.56 0.76 -0.02 0.00 0.12 0.00 0.00 29.99 31.41 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 -1.87 6.61 -1.41 4.39 3.68 -0.33 -4.91 116.67 122.83 1z94 s ASP 45 Ca 0.27 -1.80 -0.15 0.00 2.13 0.00 0.00 52.55 53.00 1z94 s ASP 45 Cb 0.36 -2.54 0.04 0.00 -1.45 0.00 0.00 42.92 39.33 1z94 s ASP 45 CO -0.05 -1.34 2.14 0.00 0.13 0.00 0.00 175.17 176.04 1z94 n ALA 46 N 8.30 5.12 -2.70 3.66 0.00 -1.26 -3.71 120.51 129.91 1z94 n ALA 46 Ca 0.35 -3.85 -0.09 0.00 0.00 0.00 0.00 53.44 49.85 1z94 n ALA 46 Cb 0.49 -3.55 -0.10 0.00 0.00 0.00 0.00 19.45 16.28 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 3.45 0.44 0.02 0.00 0.52 -1.26 -5.04 118.95 117.08 1z94 s ARG 47 Ca 0.49 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 1z94 s ARG 47 Cb 0.12 0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.68 1z94 s ARG 47 CO -0.05 -0.08 1.65 0.08 0.02 0.00 0.00 175.30 176.91 1z94 s VAL 48 N -2.30 3.26 0.00 3.52 1.01 -1.26 0.02 120.40 124.65 1z94 s VAL 48 Ca -0.08 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1z94 s VAL 48 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1z94 s VAL 48 CO -0.04 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1z94 n GLY 49 N 4.04 0.47 3.85 4.51 0.00 0.32 -5.01 105.19 113.37 1z94 n GLY 49 Ca 0.16 0.00 -0.31 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 -1.71 2.04 0.07 -0.02 0.00 0.10 -4.82 107.32 102.99 1z94 s GLY 50 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.77 1z94 s GLY 50 CO 0.00 0.27 0.12 0.00 0.00 0.00 0.00 173.10 173.49 1z94 s ALA 51 N -2.48 3.69 0.08 3.20 0.00 -1.24 -1.40 121.76 123.61 1z94 s ALA 51 Ca 0.56 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.61 1z94 s ALA 51 Cb -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1z94 s ALA 51 CO 0.30 0.77 -0.13 1.52 0.00 0.00 0.00 175.76 178.22 1z94 s TYR 52 N -1.41 1.16 0.04 0.00 -0.85 -0.80 -1.19 117.35 114.31 1z94 s TYR 52 Ca 0.30 -0.51 -0.19 0.00 -0.52 0.00 0.00 57.07 56.16 1z94 s TYR 52 Cb -0.12 -0.64 0.04 0.00 0.38 0.00 0.00 41.96 41.61 1z94 s TYR 52 CO 0.23 0.05 0.42 0.21 -1.52 0.00 0.00 175.55 174.94 1z94 s LYS 53 N -2.02 0.92 -0.28 -3.49 2.36 0.01 -1.98 119.74 115.25 1z94 s LYS 53 Ca -0.00 -0.33 -0.17 0.00 -2.55 0.00 0.00 55.97 52.92 1z94 s LYS 53 Cb -0.08 0.41 0.11 0.00 -1.05 0.00 0.00 37.83 37.21 1z94 s LYS 53 CO 0.02 -0.31 0.81 -1.83 1.55 0.00 0.00 175.35 175.58 1z94 s GLU 55 N -2.38 0.59 -0.12 4.03 -1.05 -0.80 -0.25 118.70 118.72 1z94 s GLU 55 Ca -0.06 0.99 -0.10 0.00 -0.15 0.00 0.00 54.97 55.65 1z94 s GLU 55 Cb -0.01 0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 1z94 s GLU 55 CO -0.02 -0.12 0.21 -0.06 0.95 0.00 0.00 175.26 176.22 1z94 s PHE 56 N 1.42 3.56 -0.10 4.83 0.08 0.30 -1.72 117.98 126.36 1z94 s PHE 56 Ca -0.09 0.58 0.01 0.00 0.12 0.00 0.00 56.93 57.55 1z94 s PHE 56 Cb -0.04 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1z94 s PHE 56 CO -0.17 0.56 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.88 1z94 s LEU 57 N -0.53 1.55 -0.00 -0.37 1.02 -0.76 -0.90 118.68 118.69 1z94 s LEU 57 Ca 0.15 -0.36 -0.30 0.00 0.02 0.00 0.00 54.13 53.64 1z94 s LEU 57 Cb -0.13 -0.95 -0.06 0.00 0.02 0.00 0.00 46.19 45.07 1z94 s LEU 57 CO 0.04 -0.02 1.55 0.00 0.02 0.00 0.00 176.35 177.95 1z94 s ALA 58 N 1.12 3.63 0.22 4.21 0.00 -0.75 -1.56 121.76 128.62 1z94 s ALA 58 Ca -0.05 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 1z94 s ALA 58 Cb -0.14 -3.68 0.16 0.00 0.00 0.00 0.00 23.12 19.46 1z94 s ALA 58 CO -0.02 -1.14 1.79 0.35 0.00 0.00 0.00 175.76 176.73 1z94 h PHE 59 N 8.56 1.21 0.38 0.00 3.57 -1.48 0.36 116.94 129.55 1z94 h PHE 59 Ca -0.39 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1z94 h PHE 59 Cb 1.18 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1z94 h PHE 59 CO 0.81 0.90 -0.18 0.00 -2.23 0.00 0.00 178.31 177.61 1z94 h ALA 60 N 1.18 -0.52 0.17 2.41 0.00 -1.91 -3.37 119.26 117.23 1z94 h ALA 60 Ca 0.27 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1z94 h ALA 60 Cb 0.19 0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1z94 h ALA 60 CO -0.03 -0.60 -1.26 0.66 0.00 0.00 0.00 179.25 178.02 1z94 h SER 61 N -0.89 0.56 0.00 0.00 4.64 -1.96 -3.48 113.55 112.42 1z94 h SER 61 Ca -0.05 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.35 1z94 h SER 61 Cb 0.54 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1z94 h SER 61 CO 0.09 1.58 0.00 0.61 -0.87 0.00 0.00 176.83 178.24 1z94 n GLY 62 N 1.73 0.85 3.69 -0.77 0.00 0.13 -5.03 105.19 105.79 1z94 n GLY 62 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1z94 n GLY 62 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1z94 s GLN 63 N -0.99 4.14 0.26 1.61 0.74 -1.25 -4.67 119.66 119.50 1z94 s GLN 63 Ca 0.00 2.56 -0.07 0.00 0.05 0.00 0.00 55.36 57.90 1z94 s GLN 63 Cb 0.00 -3.57 -0.06 0.00 1.10 0.00 0.00 33.01 30.48 1z94 s GLN 63 CO 0.00 -0.82 0.54 0.21 -0.55 0.00 0.00 175.29 174.67 1z94 s LYS 64 N 2.64 3.69 -0.29 1.67 2.20 -1.26 -1.81 119.74 126.58 1z94 s LYS 64 Ca 0.80 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.52 1z94 s LYS 64 Cb -0.45 -2.66 0.15 0.00 -1.51 0.00 0.00 37.83 33.36 1z94 s LYS 64 CO 0.36 0.27 0.36 -1.01 -0.36 0.00 0.00 175.35 174.97 1z94 s HIS 65 N -1.96 -0.80 0.07 4.03 3.76 -0.08 -4.98 115.29 115.33 1z94 s HIS 65 Ca 0.45 0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.39 1z94 s HIS 65 Cb -0.11 -0.27 -0.06 0.00 1.11 0.00 0.00 32.58 33.25 1z94 s HIS 65 CO 0.26 -0.96 0.40 0.00 -0.85 0.00 0.00 174.74 173.60 1z94 s ALA 66 N 2.47 3.72 0.08 -1.40 0.00 -1.26 -0.54 121.76 124.84 1z94 s ALA 66 Ca 0.10 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1z94 s ALA 66 Cb -0.13 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.74 1z94 s ALA 66 CO -0.31 0.56 0.41 -0.59 0.00 0.00 0.00 175.76 175.82 1z94 s PHE 67 N -1.37 -0.24 0.24 0.00 -0.71 -1.26 -1.75 117.98 112.89 1z94 s PHE 67 Ca 0.32 0.07 -0.21 0.00 -1.04 0.00 0.00 56.93 56.07 1z94 s PHE 67 Cb -0.14 0.24 0.07 0.00 -1.21 0.00 0.00 43.02 41.98 1z94 s PHE 67 CO 0.18 -0.64 0.95 0.20 -1.34 0.00 0.00 175.22 174.57 1z94 s GLY 68 N -2.39 0.12 0.00 1.99 0.00 -0.44 -4.48 107.32 102.14 1z94 s GLY 68 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1z94 s GLY 68 CO -0.07 1.21 0.00 0.61 0.00 0.00 0.00 173.10 174.85 1z94 n GLY 69 N -0.61 -0.59 3.10 0.20 0.00 -0.84 -0.32 105.19 106.13 1z94 n GLY 69 Ca -0.05 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.01 0.63 -0.01 1.61 0.52 -1.25 -1.90 118.95 118.54 1z94 s ARG 70 Ca 0.00 -0.88 -0.27 0.00 -0.52 0.00 0.00 55.73 54.07 1z94 s ARG 70 Cb 0.00 -0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 1z94 s ARG 70 CO 0.00 0.07 0.83 0.71 0.02 0.00 0.00 175.30 176.93 1z94 s TYR 71 N -1.67 3.65 -0.11 -0.53 2.02 -0.49 -0.79 117.35 119.42 1z94 s TYR 71 Ca -0.05 1.49 0.13 0.00 -0.37 0.00 0.00 57.07 58.27 1z94 s TYR 71 Cb -0.08 -2.95 -0.19 0.00 -0.40 0.00 0.00 41.96 38.35 1z94 s TYR 71 CO 0.00 0.08 0.12 1.28 -1.57 0.00 0.00 175.55 175.46 1z94 n LEU 72 N 3.64 0.00 -3.79 -1.29 4.77 0.12 -0.52 117.00 119.91 1z94 n LEU 72 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1z94 n LEU 72 Cb 0.51 0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 41.74 1z94 n LEU 72 CO 0.49 0.26 -0.17 -1.61 -1.33 0.00 0.00 177.39 175.04 1z94 s GLU 73 N -2.51 0.19 -0.37 3.23 2.02 -1.03 -4.86 118.70 115.37 1z94 s GLU 73 Ca -0.07 0.29 0.03 0.00 0.02 0.00 0.00 54.97 55.24 1z94 s GLU 73 Cb 0.06 0.04 0.15 0.00 0.10 0.00 0.00 34.13 34.48 1z94 s GLU 73 CO 0.59 -0.06 0.35 -0.51 0.02 0.00 0.00 175.26 175.65 1z94 s LEU 74 N 0.34 0.11 -0.35 1.80 1.43 -1.25 -1.63 118.68 119.13 1z94 s LEU 74 Ca -0.02 -1.68 -0.03 0.00 -1.03 0.00 0.00 54.13 51.37 1z94 s LEU 74 Cb -0.03 0.41 0.07 0.00 0.03 0.00 0.00 46.19 46.67 1z94 s LEU 74 CO -0.01 -0.27 0.10 -0.69 0.23 0.00 0.00 176.35 175.71 1z94 s VAL 75 N 1.37 3.25 -0.48 -1.59 1.01 0.77 -4.99 120.40 119.73 1z94 s VAL 75 Ca 0.17 -1.62 -0.46 0.00 0.00 0.00 0.00 61.98 60.07 1z94 s VAL 75 Cb -0.17 -3.01 -0.19 0.00 0.00 0.00 0.00 36.38 33.01 1z94 s VAL 75 CO -0.03 -0.36 1.75 -2.65 0.00 0.00 0.00 175.10 173.81 1z94 n PRO 76 N 4.64 0.12 -1.03 2.72 -0.02 -1.26 -0.41 135.00 139.75 1z94 n PRO 76 Ca -0.08 0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.43 1z94 n PRO 76 Cb 0.43 -1.57 -0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 4.85 0.40 0.15 -1.23 0.00 -1.26 -4.80 105.19 103.31 1z94 n GLY 77 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.72 0.00 -3.63 1.61 1.02 0.45 -4.53 120.64 113.83 1z94 n GLU 78 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 1z94 n GLU 78 Cb 0.19 -0.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.99 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 -1.25 0.82 -0.02 3.49 6.06 -0.57 -0.66 118.95 126.82 1z94 s ARG 79 Ca 0.00 0.93 -0.01 0.00 -2.50 0.00 0.00 55.73 54.15 1z94 s ARG 79 Cb 0.00 0.40 0.02 0.00 0.06 0.00 0.00 34.95 35.43 1z94 s ARG 79 CO 0.00 -0.11 0.04 0.42 -2.50 0.00 0.00 175.30 173.15 1z94 s ILE 80 N 0.29 -0.04 -0.02 4.11 1.01 -0.42 -0.16 121.20 125.97 1z94 s ILE 80 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.80 1z94 s ILE 80 Cb -0.05 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.35 1z94 s ILE 80 CO 0.01 0.06 -0.01 -0.60 0.00 0.00 0.00 174.94 174.41 1z94 s ARG 81 N 0.79 0.25 0.08 2.79 3.52 -0.64 0.16 118.95 125.90 1z94 s ARG 81 Ca -0.06 -0.00 -0.16 0.00 -0.13 0.00 0.00 55.73 55.38 1z94 s ARG 81 Cb -0.09 -0.35 0.03 0.00 -1.56 0.00 0.00 34.95 32.98 1z94 s ARG 81 CO -0.03 -0.04 0.37 1.52 -0.81 0.00 0.00 175.30 176.31 1z94 s TYR 82 N 0.51 -0.18 0.54 5.12 1.13 -0.76 0.10 117.35 123.82 1z94 s TYR 82 Ca -0.05 -0.02 -0.04 0.00 -1.41 0.00 0.00 57.07 55.55 1z94 s TYR 82 Cb -0.08 0.19 -0.00 0.00 -1.10 0.00 0.00 41.96 40.97 1z94 s TYR 82 CO -0.01 -0.61 0.82 0.95 -2.51 0.00 0.00 175.55 174.19 1z94 s THR 83 N -3.14 3.92 -0.18 -3.49 -4.23 0.03 -1.35 115.64 107.20 1z94 s THR 83 Ca -0.01 -0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 1z94 s THR 83 Cb 0.01 -3.51 0.07 0.00 1.34 0.00 0.00 72.50 70.40 1z94 s THR 83 CO -0.07 -0.48 0.41 -0.62 -0.54 0.00 0.00 174.62 173.31 1z94 s ASP 84 N -4.25 -0.39 -0.06 3.99 -1.08 -1.26 -3.78 116.67 109.84 1z94 s ASP 84 Ca 0.51 0.91 -0.04 0.00 -0.52 0.00 0.00 52.55 53.42 1z94 s ASP 84 Cb -0.10 0.95 0.03 0.00 -1.46 0.00 0.00 42.92 42.33 1z94 s ASP 84 CO 0.43 -0.21 0.14 -0.60 0.52 0.00 0.00 175.17 175.45 1z94 s ARG 85 N 1.83 0.12 0.27 4.34 3.52 0.57 -4.59 118.95 125.01 1z94 s ARG 85 Ca -0.07 0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.66 1z94 s ARG 85 Cb -0.10 -0.06 -0.08 0.00 -1.56 0.00 0.00 34.95 33.15 1z94 s ARG 85 CO -0.13 -0.09 0.70 -0.06 -0.81 0.00 0.00 175.30 174.91 1z94 s PHE 86 N 0.64 3.50 -0.01 5.12 0.08 -1.26 -1.32 117.98 124.72 1z94 s PHE 86 Ca -0.05 1.24 -0.03 0.00 0.12 0.00 0.00 56.93 58.21 1z94 s PHE 86 Cb -0.06 -2.53 -0.14 0.00 -0.57 0.00 0.00 43.02 39.72 1z94 s PHE 86 CO -0.03 0.22 2.86 -0.25 -0.10 0.00 0.00 175.22 177.92 1z94 n ASP 87 N 0.14 5.33 -3.61 1.36 10.43 -0.72 -4.71 116.55 124.77 1z94 n ASP 87 Ca 0.00 -2.47 -0.13 0.00 2.57 0.00 0.00 54.79 54.77 1z94 n ASP 87 Cb 0.52 -1.28 -0.12 0.00 1.84 0.00 0.00 41.12 42.08 1z94 n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1z94 s ASP 88 N 1.94 0.34 -0.17 -2.24 3.68 -1.26 -4.97 116.67 113.99 1z94 s ASP 88 Ca 0.36 0.55 -0.18 0.00 2.13 0.00 0.00 52.55 55.41 1z94 s ASP 88 Cb 0.18 0.83 -0.04 0.00 -1.45 0.00 0.00 42.92 42.44 1z94 s ASP 88 CO -0.00 -0.25 0.48 0.00 0.13 0.00 0.00 175.17 175.53 1z94 s ALA 89 N 2.46 3.52 0.00 3.66 0.00 -1.26 -5.18 121.76 124.95 1z94 s ALA 89 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1z94 s ALA 89 Cb -0.13 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1z94 s ALA 89 CO -0.10 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1z94 n GLY 93 N 3.62 4.16 2.71 0.00 0.00 -1.26 -5.18 105.19 109.25 1z94 n GLY 93 Ca -0.06 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 1.66 -3.51 1.61 2.03 -1.26 -4.58 116.55 112.50 1z94 n ASP 94 Ca 0.00 -2.14 -0.00 0.00 0.52 0.00 0.00 54.79 53.17 1z94 n ASP 94 Cb 0.00 -0.23 -0.05 0.00 -0.72 0.00 0.00 41.12 40.12 1z94 n ASP 94 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1z94 s ILE 96 N -1.61 -0.28 -0.00 5.18 1.01 -0.75 -4.67 121.20 120.07 1z94 s ILE 96 Ca 0.37 0.00 0.08 0.00 0.00 0.00 0.00 60.65 61.10 1z94 s ILE 96 Cb -0.03 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1z94 s ILE 96 CO 0.24 0.00 -0.24 0.42 0.00 0.00 0.00 174.94 175.36 1z94 s THR 97 N 1.95 2.24 -0.09 2.92 -4.23 -0.46 -1.02 115.64 116.97 1z94 s THR 97 Ca -0.06 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1z94 s THR 97 Cb -0.05 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1z94 s THR 97 CO -0.16 0.51 -0.11 0.42 -0.54 0.00 0.00 174.62 174.74 1z94 s THR 98 N -0.69 1.13 -0.19 3.99 -4.23 0.00 -1.82 115.64 113.84 1z94 s THR 98 Ca 0.11 -0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 60.12 1z94 s THR 98 Cb -0.10 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1z94 s THR 98 CO 0.00 0.37 0.04 -0.63 -0.54 0.00 0.00 174.62 173.86 1z94 s ILE 99 N 1.05 4.53 -0.05 2.99 1.09 0.12 -1.99 121.20 128.95 1z94 s ILE 99 Ca -0.07 -0.12 0.05 0.00 -1.10 0.00 0.00 60.65 59.40 1z94 s ILE 99 Cb -0.15 -3.04 -0.00 0.00 -1.06 0.00 0.00 42.46 38.21 1z94 s ILE 99 CO -0.01 0.45 -0.19 0.42 -0.10 0.00 0.00 174.94 175.51 1z94 s THR 100 N 0.56 1.55 0.05 2.92 -4.23 -0.18 -1.30 115.64 115.00 1z94 s THR 100 Ca 0.02 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1z94 s THR 100 Cb -0.13 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 1z94 s THR 100 CO 0.01 0.44 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.61 1z94 s LEU 101 N -0.01 2.18 0.00 4.79 1.43 0.17 -1.08 118.68 126.16 1z94 s LEU 101 Ca -0.03 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1z94 s LEU 101 Cb -0.12 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1z94 s LEU 101 CO 0.02 0.07 0.05 0.00 0.23 0.00 0.00 176.35 176.73 1z94 s ALA 102 N -0.87 -0.10 0.56 4.21 0.00 -0.86 -4.41 121.76 120.29 1z94 s ALA 102 Ca 0.04 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 1z94 s ALA 102 Cb -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1z94 s ALA 102 CO 0.02 -0.14 1.07 -1.25 0.00 0.00 0.00 175.76 175.46 1z94 s PRO 103 N -1.03 3.40 0.06 0.00 0.04 -1.26 -0.84 135.00 135.37 1z94 s PRO 103 Ca -0.11 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 1z94 s PRO 103 Cb -0.07 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1z94 s PRO 103 CO 0.00 -0.76 0.04 -0.51 0.04 0.00 0.00 177.00 175.81 1z94 s LEU 104 N -4.12 2.11 0.32 -3.56 1.43 -0.64 -4.75 118.68 109.47 1z94 s LEU 104 Ca 0.67 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1z94 s LEU 104 Cb -0.18 0.46 0.54 0.00 0.03 0.00 0.00 46.19 47.03 1z94 s LEU 104 CO 0.31 -0.60 1.98 -1.28 0.23 0.00 0.00 176.35 176.98 1z94 h SER 105 N 3.21 0.85 0.67 2.29 0.87 -1.99 -1.29 113.55 118.16 1z94 h SER 105 Ca -0.34 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1z94 h SER 105 Cb 1.16 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1z94 h SER 105 CO 0.60 0.61 -0.13 0.00 -0.53 0.00 0.00 176.83 177.38 1z94 n GLY 107 N 1.41 -0.01 3.13 0.00 0.00 -0.49 -4.08 105.19 105.16 1z94 n GLY 107 Ca 0.10 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.43 -0.23 4.61 0.00 0.17 -1.63 121.76 123.25 1z94 s ALA 108 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.87 1z94 s ALA 108 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1z94 s ALA 108 CO 0.00 -0.21 0.10 0.34 0.00 0.00 0.00 175.76 175.99 1z94 s ASP 109 N -1.30 5.58 -0.16 0.00 -1.08 -0.02 -0.38 116.67 119.31 1z94 s ASP 109 Ca -0.14 -0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 51.84 1z94 s ASP 109 Cb -0.07 -2.00 -0.01 0.00 -1.46 0.00 0.00 42.92 39.39 1z94 s ASP 109 CO 0.02 0.04 -0.12 -0.22 0.52 0.00 0.00 175.17 175.41 1z94 s LEU 110 N 1.20 2.67 -0.07 -1.34 2.96 0.75 -2.02 118.68 122.82 1z94 s LEU 110 Ca 0.05 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1z94 s LEU 110 Cb -0.14 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 1z94 s LEU 110 CO 0.04 0.08 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.51 1z94 s SER 111 N 0.84 2.62 -0.04 3.68 0.01 -0.24 -0.89 113.70 119.68 1z94 s SER 111 Ca -0.04 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.81 1z94 s SER 111 Cb -0.15 -0.99 -0.00 0.00 0.21 0.00 0.00 66.02 65.08 1z94 s SER 111 CO 0.00 0.15 -0.15 -0.63 0.41 0.00 0.00 173.24 173.02 1z94 s ILE 112 N 0.23 1.26 -0.07 1.44 1.09 0.64 -1.01 121.20 124.78 1z94 s ILE 112 Ca -0.11 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1z94 s ILE 112 Cb -0.15 -1.08 0.02 0.00 -1.06 0.00 0.00 42.46 40.19 1z94 s ILE 112 CO 0.05 0.37 -0.06 0.54 -0.10 0.00 0.00 174.94 175.74 1z94 s VAL 113 N 0.03 0.72 -0.25 2.92 0.11 -0.84 -0.69 120.40 122.40 1z94 s VAL 113 Ca -0.03 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1z94 s VAL 113 Cb -0.10 -0.74 0.06 0.00 -1.53 0.00 0.00 36.38 34.06 1z94 s VAL 113 CO 0.01 0.29 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.38 1z94 s GLN 114 N 1.24 2.17 0.24 1.54 0.74 0.13 -0.81 119.66 124.89 1z94 s GLN 114 Ca -0.05 -1.21 0.07 0.00 0.05 0.00 0.00 55.36 54.21 1z94 s GLN 114 Cb -0.14 -2.78 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 1z94 s GLN 114 CO -0.02 -0.54 0.20 -1.21 -0.55 0.00 0.00 175.29 173.17 1z94 s GLU 115 N 1.19 2.95 -0.46 1.67 2.02 -0.19 -0.64 118.70 125.25 1z94 s GLU 115 Ca -0.07 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1z94 s GLU 115 Cb -0.19 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1z94 s GLU 115 CO -0.06 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1z94 n GLY 116 N -1.06 0.71 3.69 -1.39 0.00 -1.16 -1.81 105.19 104.18 1z94 n GLY 116 Ca -0.08 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.11 2.91 0.27 -0.61 1.09 -0.26 -4.61 121.20 117.88 1z94 s ILE 117 Ca 0.00 0.38 -0.30 0.00 -1.10 0.00 0.00 60.65 59.63 1z94 s ILE 117 Cb 0.00 -3.24 -0.14 0.00 -1.06 0.00 0.00 42.46 38.02 1z94 s ILE 117 CO 0.00 -0.00 1.20 -2.65 -0.10 0.00 0.00 174.94 173.39 1z94 n PRO 118 N 5.61 1.68 0.33 2.79 -0.02 -1.26 -4.58 135.00 139.55 1z94 n PRO 118 Ca 0.16 0.59 0.21 0.00 -2.02 0.00 0.00 63.50 62.45 1z94 n PRO 118 Cb 0.40 -2.11 1.14 0.00 -0.02 0.00 0.00 33.50 32.91 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 2.89 0.00 0.02 2.55 3.32 -1.90 -1.58 116.42 121.72 1z94 h ASP 119 Ca -0.43 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1z94 h ASP 119 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1z94 h ASP 119 CO 0.66 0.00 -0.10 0.00 -1.72 0.00 0.00 179.24 178.09 1z94 h ALA 120 N 1.95 1.61 -2.78 3.45 0.00 -1.98 -3.39 119.26 118.11 1z94 h ALA 120 Ca 0.00 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 54.07 1z94 h ALA 120 Cb 0.06 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 17.57 1z94 h ALA 120 CO -0.00 0.29 -0.51 -1.50 0.00 0.00 0.00 179.25 177.53 1z94 s ILE 121 N -4.80 5.05 0.14 0.00 2.07 -0.59 -5.05 121.20 118.01 1z94 s ILE 121 Ca -0.05 -0.27 -0.34 0.00 -1.41 0.00 0.00 60.65 58.58 1z94 s ILE 121 Cb 0.16 -3.58 -0.14 0.00 0.13 0.00 0.00 42.46 39.03 1z94 s ILE 121 CO 0.72 0.03 1.61 -2.65 -1.91 0.00 0.00 174.94 172.73 1z94 n PRO 122 N 5.06 2.17 -0.35 3.50 -0.02 -1.26 -4.80 135.00 139.29 1z94 n PRO 122 Ca -0.13 0.78 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 1z94 n PRO 122 Cb 0.50 -2.56 0.23 0.00 -0.02 0.00 0.00 33.50 31.65 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 6.22 0.94 -0.75 0.52 0.11 -1.92 -1.36 132.00 135.76 1z94 h PRO 123 Ca -0.45 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 65.73 1z94 h PRO 123 Cb 1.25 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1z94 h PRO 123 CO 0.89 0.62 0.50 1.05 -0.21 0.00 0.00 178.00 180.85 1z94 h GLU 124 N 0.96 0.49 0.00 1.05 4.11 -2.00 0.33 114.58 119.53 1z94 h GLU 124 Ca 0.49 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.82 1z94 h GLU 124 Cb 0.48 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1z94 h GLU 124 CO -0.27 0.33 -0.31 -0.91 0.07 0.00 0.00 179.01 177.92 1z94 h ASN 125 N 0.51 0.00 0.06 3.06 4.21 -1.62 -2.25 115.58 119.55 1z94 h ASN 125 Ca 0.36 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.64 1z94 h ASN 125 Cb 0.71 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1z94 h ASN 125 CO -0.13 0.31 -0.92 0.00 -1.29 0.00 0.00 177.43 175.40 1z94 h TYR 127 N 0.39 0.41 -0.74 0.00 0.05 -1.11 0.02 116.97 115.99 1z94 h TYR 127 Ca -0.09 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.68 1z94 h TYR 127 Cb 1.56 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 39.13 1z94 h TYR 127 CO 0.08 0.42 0.48 -0.07 -1.05 0.00 0.00 178.16 178.03 1z94 h LEU 128 N 0.28 0.81 -0.43 3.88 3.38 -1.43 0.16 115.31 121.95 1z94 h LEU 128 Ca 0.09 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1z94 h LEU 128 Cb 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1z94 h LEU 128 CO -0.01 0.57 0.05 1.23 0.09 0.00 0.00 178.44 180.37 1z94 h GLY 129 N 0.95 0.78 1.21 0.83 0.00 -1.13 -2.67 103.07 103.04 1z94 h GLY 129 Ca 0.29 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1z94 h GLY 129 CO -0.09 0.50 -0.17 1.49 0.00 0.00 0.00 176.54 178.27 1z94 h TRP 130 N 0.58 1.04 -0.84 5.60 4.06 -0.57 -1.89 115.95 123.93 1z94 h TRP 130 Ca 0.13 -0.23 0.04 0.00 2.06 0.00 0.00 58.89 60.89 1z94 h TRP 130 Cb 0.41 -0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 28.27 1z94 h TRP 130 CO 0.03 1.01 0.54 1.96 -3.56 0.00 0.00 178.44 178.42 1z94 h GLN 131 N 0.81 1.01 -0.35 0.49 4.20 -0.60 0.24 115.11 120.91 1z94 h GLN 131 Ca 0.12 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1z94 h GLN 131 Cb 0.72 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1z94 h GLN 131 CO 0.06 0.67 -0.06 1.96 -0.67 0.00 0.00 178.83 180.78 1z94 h GLN 132 N 1.04 0.66 -0.66 1.46 4.20 -1.33 -2.52 115.11 117.95 1z94 h GLN 132 Ca 0.34 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1z94 h GLN 132 Cb 0.03 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1z94 h GLN 132 CO -0.12 0.81 0.22 0.77 -0.67 0.00 0.00 178.83 179.83 1z94 h SER 133 N 0.45 0.95 0.26 1.46 0.02 -0.60 -2.42 113.55 113.66 1z94 h SER 133 Ca 0.09 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 1z94 h SER 133 Cb 0.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1z94 h SER 133 CO 0.03 0.89 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.17 1z94 h LEU 134 N 0.95 0.16 -0.50 5.07 3.38 -0.52 0.77 115.31 124.61 1z94 h LEU 134 Ca 0.21 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1z94 h LEU 134 Cb 0.28 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1z94 h LEU 134 CO -0.01 0.52 -0.10 0.50 0.09 0.00 0.00 178.44 179.44 1z94 h LYS 135 N 0.13 0.95 -0.15 1.13 3.64 -1.26 -1.55 116.57 119.46 1z94 h LYS 135 Ca 0.01 -0.35 -0.12 0.00 -1.27 0.00 0.00 60.65 58.92 1z94 h LYS 135 Cb 0.72 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1z94 h LYS 135 CO 0.05 1.02 -0.44 1.96 -2.27 0.00 0.00 179.45 179.77 1z94 h GLN 136 N 0.81 0.36 -0.24 1.90 4.20 -0.94 -2.69 115.11 118.51 1z94 h GLN 136 Ca 0.13 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1z94 h GLN 136 Cb 0.65 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1z94 h GLN 136 CO 0.05 0.74 0.10 1.25 -0.67 0.00 0.00 178.83 180.29 1z94 h LEU 137 N 0.30 0.34 -0.92 1.46 5.85 -0.56 -2.82 115.31 118.95 1z94 h LEU 137 Ca 0.02 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1z94 h LEU 137 Cb 0.90 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1z94 h LEU 137 CO 0.08 0.41 0.58 0.00 -0.34 0.00 0.00 178.44 179.17 1z94 h ALA 138 N 0.94 1.17 -0.13 1.25 0.00 -1.21 -0.86 119.26 120.42 1z94 h ALA 138 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1z94 h ALA 138 Cb 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1z94 h ALA 138 CO -0.01 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 179.75 1z94 h ALA 139 N 1.32 1.62 0.16 0.00 0.00 -1.37 -1.22 119.26 119.77 1z94 h ALA 139 Ca 0.33 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 1z94 h ALA 139 Cb -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1z94 h ALA 139 CO -0.07 0.28 -1.39 1.25 0.00 0.00 0.00 179.25 179.32 1z94 h LEU 140 N 0.19 0.53 0.00 0.00 5.85 -1.12 -3.40 115.31 117.36 1z94 h LEU 140 Ca 0.04 -0.91 -0.17 0.00 0.84 0.00 0.00 57.88 57.69 1z94 h LEU 140 Cb 0.27 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1z94 h LEU 140 CO 0.01 1.63 -1.27 1.62 -0.34 0.00 0.00 178.44 180.10 1z94 h VAL 141 N -0.15 0.64 -0.12 1.05 3.04 -1.14 -3.38 116.25 116.20 1z94 h VAL 141 Ca -0.27 -2.15 -0.13 0.00 -1.01 0.00 0.00 66.70 63.14 1z94 h VAL 141 Cb 1.89 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 33.32 1z94 h VAL 141 CO 0.14 0.36 -0.49 -0.33 -1.01 0.00 0.00 177.57 176.25 1z94 h GLU 142 N 0.00 0.30 -7.09 4.17 5.08 -1.44 -3.44 114.58 112.16 1z94 h GLU 142 Ca -0.14 -0.17 -0.55 0.00 -1.00 0.00 0.00 59.36 57.50 1z94 h GLU 142 Cb 1.59 0.01 0.17 0.00 0.50 0.00 0.00 28.75 31.02 1z94 h GLU 142 CO 0.06 0.72 0.39 -2.30 -1.00 0.00 0.00 179.01 176.88 1z94 n PRO 143 N -3.97 0.79 0.00 2.33 -0.02 -1.26 -4.82 135.00 128.05 1z94 n PRO 143 Ca -0.02 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1z94 n PRO 143 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1z94 n PRO 143 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23