#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 1.84 -0.04 2.55 -0.87 0.88 -4.85 114.94 114.45 1z94 s ASN 3 Ca 0.00 -0.73 0.04 0.00 -1.57 0.00 0.00 52.86 50.61 1z94 s ASN 3 Cb 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.15 1z94 s ASN 3 CO 0.00 -0.12 -0.16 -0.89 -2.57 0.00 0.00 177.10 173.36 1z94 s THR 4 N -1.78 2.91 0.12 1.60 2.01 -1.26 -0.69 115.64 118.55 1z94 s THR 4 Ca 0.04 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.30 1z94 s THR 4 Cb -0.07 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1z94 s THR 4 CO 0.02 0.58 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.75 1z94 s ILE 5 N -0.73 1.36 -0.07 1.82 -1.09 0.29 -4.98 121.20 117.80 1z94 s ILE 5 Ca 0.11 -1.67 -0.08 0.00 -2.23 0.00 0.00 60.65 56.78 1z94 s ILE 5 Cb -0.11 -1.50 0.02 0.00 -1.58 0.00 0.00 42.46 39.30 1z94 s ILE 5 CO 0.01 -0.37 0.23 0.00 -1.23 0.00 0.00 174.94 173.58 1z94 s ARG 6 N -2.53 0.32 0.15 2.79 1.70 -1.26 -0.59 118.95 119.53 1z94 s ARG 6 Ca 0.08 0.22 0.06 0.00 -0.47 0.00 0.00 55.73 55.62 1z94 s ARG 6 Cb -0.06 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 1z94 s ARG 6 CO 0.03 -0.05 -0.12 -0.51 -1.08 0.00 0.00 175.30 173.57 1z94 s LEU 7 N -0.11 2.50 -0.06 -1.89 1.02 0.82 -4.99 118.68 115.96 1z94 s LEU 7 Ca -0.02 -0.95 -0.04 0.00 0.02 0.00 0.00 54.13 53.14 1z94 s LEU 7 Cb -0.02 -0.47 0.03 0.00 0.02 0.00 0.00 46.19 45.74 1z94 s LEU 7 CO 0.01 -0.24 0.14 -2.28 0.02 0.00 0.00 176.35 173.99 1z94 s HIS 8 N -2.90 -0.15 -0.04 0.29 2.46 -1.26 -1.34 115.29 112.35 1z94 s HIS 8 Ca 0.16 0.42 -0.06 0.00 0.47 0.00 0.00 55.06 56.04 1z94 s HIS 8 Cb -0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 32.58 32.43 1z94 s HIS 8 CO 0.03 -0.12 0.16 1.03 -2.47 0.00 0.00 174.74 173.36 1z94 s ARG 9 N 0.67 0.31 -0.16 2.88 1.81 -0.35 -5.02 118.95 119.10 1z94 s ARG 9 Ca -0.05 -0.02 -0.07 0.00 -1.72 0.00 0.00 55.73 53.87 1z94 s ARG 9 Cb -0.07 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 1z94 s ARG 9 CO -0.03 -0.06 0.07 0.08 -0.68 0.00 0.00 175.30 174.68 1z94 s VAL 10 N -0.49 4.91 -0.01 3.52 1.01 -1.26 -0.31 120.40 127.76 1z94 s VAL 10 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1z94 s VAL 10 Cb -0.04 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1z94 s VAL 10 CO 0.01 0.50 -0.23 -0.76 0.00 0.00 0.00 175.10 174.61 1z94 s LEU 11 N 0.04 2.05 -1.54 3.92 1.43 0.58 -4.98 118.68 120.18 1z94 s LEU 11 Ca 0.06 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1z94 s LEU 11 Cb -0.12 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 1z94 s LEU 11 CO 0.01 0.28 2.78 -1.20 0.23 0.00 0.00 176.35 178.45 1z94 n SER 12 N 2.46 8.45 -3.57 2.29 7.64 -1.26 -0.78 113.62 128.84 1z94 n SER 12 Ca -0.16 -2.74 -0.15 0.00 1.01 0.00 0.00 58.87 56.83 1z94 n SER 12 Cb 0.52 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.15 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 1.26 -1.44 0.50 -0.43 0.00 -1.26 -4.48 121.76 115.92 1z94 s ALA 13 Ca 0.65 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 1z94 s ALA 13 Cb 0.18 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.43 1z94 s ALA 13 CO -0.07 -0.42 1.21 -2.14 0.00 0.00 0.00 175.76 174.34 1z94 s PRO 14 N -1.80 3.49 0.41 0.00 0.02 -1.26 -1.47 135.00 134.39 1z94 s PRO 14 Ca -0.09 1.86 0.13 0.00 0.02 0.00 0.00 61.00 62.92 1z94 s PRO 14 Cb -0.01 -2.28 0.97 0.00 0.02 0.00 0.00 34.50 33.20 1z94 s PRO 14 CO 0.04 -0.79 1.94 -1.00 -0.33 0.00 0.00 177.00 176.85 1z94 h PRO 15 N 1.70 0.48 -0.65 5.54 0.13 -1.86 -1.96 132.00 135.39 1z94 h PRO 15 Ca -0.50 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 1z94 h PRO 15 Cb 1.27 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1z94 h PRO 15 CO 0.59 0.32 0.29 1.49 -0.23 0.00 0.00 178.00 180.46 1z94 h GLU 16 N 0.49 0.92 -0.22 0.86 4.57 -1.92 0.92 114.58 120.21 1z94 h GLU 16 Ca 0.34 -0.13 -0.15 0.00 -1.18 0.00 0.00 59.36 58.24 1z94 h GLU 16 Cb 0.64 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1z94 h GLU 16 CO -0.11 0.73 -0.48 -0.09 -1.18 0.00 0.00 179.01 177.88 1z94 h ARG 17 N 0.92 0.57 -0.38 1.92 2.43 -1.73 -1.46 114.38 116.65 1z94 h ARG 17 Ca 0.22 -0.32 -0.16 0.00 -0.81 0.00 0.00 59.98 58.91 1z94 h ARG 17 Cb 0.12 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1z94 h ARG 17 CO -0.03 0.92 -0.39 0.28 -1.51 0.00 0.00 179.97 179.24 1z94 h VAL 18 N 0.46 1.27 -0.05 0.20 2.07 -1.21 -2.35 116.25 116.63 1z94 h VAL 18 Ca 0.02 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1z94 h VAL 18 Cb 1.00 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1z94 h VAL 18 CO 0.09 0.53 -0.09 0.22 0.02 0.00 0.00 177.57 178.33 1z94 h TYR 19 N 0.76 -0.24 -0.98 1.57 3.20 -0.66 -2.00 116.97 118.63 1z94 h TYR 19 Ca 0.06 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 1z94 h TYR 19 Cb 0.99 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 1z94 h TYR 19 CO 0.06 -0.15 0.64 0.00 -1.64 0.00 0.00 178.16 177.08 1z94 h ARG 20 N -0.14 1.15 -0.15 1.82 3.08 -1.19 -1.45 114.38 117.49 1z94 h ARG 20 Ca 0.05 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1z94 h ARG 20 Cb 0.21 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1z94 h ARG 20 CO -0.14 0.76 0.12 0.00 -1.07 0.00 0.00 179.97 179.64 1z94 h ALA 21 N 1.45 2.06 0.00 0.04 0.00 -0.81 0.18 119.26 122.18 1z94 h ALA 21 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1z94 h ALA 21 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1z94 h ALA 21 CO -0.15 -0.20 -0.01 0.74 0.00 0.00 0.00 179.25 179.64 1z94 h PHE 22 N 0.00 0.00 0.00 0.00 0.04 -0.97 -3.34 116.94 112.68 1z94 h PHE 22 Ca 0.07 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.67 1z94 h PHE 22 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 1z94 h PHE 22 CO 0.00 0.00 -1.66 1.28 -0.60 0.00 0.00 178.31 177.33 1z94 n LEU 23 N -2.92 0.03 -4.63 1.54 4.77 -0.48 -4.94 117.00 110.36 1z94 n LEU 23 Ca 0.04 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 1z94 n LEU 23 Cb 0.51 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 1z94 n LEU 23 CO 0.33 0.24 1.43 -0.62 -1.33 0.00 0.00 177.39 177.45 1z94 s ASP 24 N -4.20 6.36 0.42 -1.43 3.68 0.50 -4.90 116.67 117.10 1z94 s ASP 24 Ca -0.05 1.84 0.14 0.00 2.13 0.00 0.00 52.55 56.61 1z94 s ASP 24 Cb 0.03 -2.53 1.02 0.00 -1.45 0.00 0.00 42.92 39.98 1z94 s ASP 24 CO 0.40 -1.24 1.92 1.55 0.13 0.00 0.00 175.17 177.93 1z94 h PRO 25 N 10.88 0.44 -0.23 4.34 0.13 -1.92 0.28 132.00 145.92 1z94 h PRO 25 Ca -0.36 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.61 1z94 h PRO 25 Cb 1.17 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1z94 h PRO 25 CO 0.98 0.29 -0.38 -0.07 -0.23 0.00 0.00 178.00 178.59 1z94 h LEU 26 N 0.45 0.55 0.11 1.56 3.38 -1.97 -2.04 115.31 117.35 1z94 h LEU 26 Ca 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1z94 h LEU 26 Cb 0.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1z94 h LEU 26 CO -0.12 0.88 -0.05 0.00 0.09 0.00 0.00 178.44 179.24 1z94 h ALA 27 N 1.15 -0.15 -0.63 1.53 0.00 -1.37 -3.24 119.26 116.55 1z94 h ALA 27 Ca 0.04 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1z94 h ALA 27 Cb 0.86 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1z94 h ALA 27 CO 0.07 -0.27 0.12 -0.07 0.00 0.00 0.00 179.25 179.10 1z94 h LEU 28 N -0.78 -0.04 -2.37 0.00 3.38 -1.04 0.58 115.31 115.04 1z94 h LEU 28 Ca -0.02 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1z94 h LEU 28 Cb 0.56 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1z94 h LEU 28 CO 0.02 -0.02 0.03 0.00 0.09 0.00 0.00 178.44 178.56 1z94 h ALA 29 N 1.52 1.63 0.05 1.53 0.00 -1.46 -0.02 119.26 122.51 1z94 h ALA 29 Ca 0.34 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.95 1z94 h ALA 29 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1z94 h ALA 29 CO -0.45 -0.04 -1.62 1.17 0.00 0.00 0.00 179.25 178.31 1z94 n LYS 30 N -3.94 0.64 -0.02 0.00 4.81 0.06 -4.31 118.16 115.41 1z94 n LYS 30 Ca -0.02 0.44 -0.04 0.00 -0.87 0.00 0.00 58.31 57.82 1z94 n LYS 30 Cb 0.12 -1.72 -0.12 0.00 0.02 0.00 0.00 35.03 33.32 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 -4.05 0.68 0.19 5.64 4.27 -0.41 -4.62 117.44 119.14 1z94 n TRP 31 Ca -0.33 0.23 -0.14 0.00 -3.89 0.00 0.00 57.50 53.37 1z94 n TRP 31 Cb 0.83 -1.05 -0.08 0.00 -1.36 0.00 0.00 31.31 29.65 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 -0.40 -9.71 5.67 6.46 -1.20 -3.42 115.31 112.70 1z94 h LEU 32 Ca -0.27 -0.11 -0.53 0.00 -0.12 0.00 0.00 57.88 56.85 1z94 h LEU 32 Cb 1.81 0.10 0.06 0.00 -0.73 0.00 0.00 40.66 41.91 1z94 h LEU 32 CO 0.05 -0.12 0.89 -2.16 -0.62 0.00 0.00 178.44 176.48 1z94 s PRO 33 N -5.20 4.17 1.37 5.25 0.04 -1.26 -4.69 135.00 134.68 1z94 s PRO 33 Ca -0.15 2.49 -0.23 0.00 0.04 0.00 0.00 61.00 63.15 1z94 s PRO 33 Cb 0.03 -3.08 0.35 0.00 0.04 0.00 0.00 34.50 31.83 1z94 s PRO 33 CO 0.58 -0.62 1.00 -2.14 0.04 0.00 0.00 177.00 175.86 1z94 s PRO 34 N 0.32 -2.52 0.24 0.56 0.02 -1.26 -4.79 135.00 127.57 1z94 s PRO 34 Ca 0.67 -0.05 -0.31 0.00 0.02 0.00 0.00 61.00 61.33 1z94 s PRO 34 Cb -0.46 -1.44 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 1z94 s PRO 34 CO 0.39 -4.56 1.65 0.39 -0.33 0.00 0.00 177.00 174.54 1z94 n GLU 35 N -5.37 2.67 -0.81 5.54 1.02 -1.26 -1.89 120.64 120.53 1z94 n GLU 35 Ca 0.14 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 1z94 n GLU 35 Cb 0.60 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 3.18 0.71 3.27 0.62 0.00 -1.26 -5.03 105.19 106.67 1z94 n GLY 36 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.59 2.03 0.27 1.61 0.08 -0.79 -0.64 117.98 117.95 1z94 s PHE 37 Ca 0.00 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 56.76 1z94 s PHE 37 Cb 0.00 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1z94 s PHE 37 CO 0.00 0.02 0.03 0.14 -0.10 0.00 0.00 175.22 175.31 1z94 s VAL 38 N -0.63 3.50 -0.05 -0.44 -7.23 -0.41 -4.62 120.40 110.52 1z94 s VAL 38 Ca 0.09 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1z94 s VAL 38 Cb -0.09 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.94 1z94 s VAL 38 CO 0.00 -0.35 -0.10 0.00 -0.31 0.00 0.00 175.10 174.35 1z94 s LYS 40 N 0.65 3.53 -0.44 0.00 2.20 -0.74 -4.80 119.74 120.13 1z94 s LYS 40 Ca -0.12 -0.57 -0.17 0.00 -0.36 0.00 0.00 55.97 54.75 1z94 s LYS 40 Cb -0.14 -2.98 0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1z94 s LYS 40 CO 0.02 0.01 0.44 0.08 -0.36 0.00 0.00 175.35 175.55 1z94 s VAL 41 N 0.97 5.10 0.05 4.02 1.01 -1.26 -1.07 120.40 129.22 1z94 s VAL 41 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1z94 s VAL 41 Cb -0.15 -4.09 -0.32 0.00 0.00 0.00 0.00 36.38 31.83 1z94 s VAL 41 CO 0.01 -0.50 1.07 -0.07 0.00 0.00 0.00 175.10 175.60 1z94 h LEU 42 N 9.06 0.75 -7.46 3.92 4.07 -1.05 -3.47 115.31 121.13 1z94 h LEU 42 Ca -0.27 -0.77 -0.16 0.00 0.08 0.00 0.00 57.88 56.76 1z94 h LEU 42 Cb 1.11 -0.24 -0.25 0.00 1.08 0.00 0.00 40.66 42.35 1z94 h LEU 42 CO 0.83 1.59 -0.40 -0.70 -1.08 0.00 0.00 178.44 178.69 1z94 s GLU 43 N -2.73 0.32 -0.37 1.13 2.12 0.71 -4.96 118.70 114.92 1z94 s GLU 43 Ca -0.08 0.35 0.13 0.00 0.36 0.00 0.00 54.97 55.73 1z94 s GLU 43 Cb 0.05 0.16 0.39 0.00 0.26 0.00 0.00 34.13 34.99 1z94 s GLU 43 CO 0.93 -0.04 0.94 -2.39 -0.54 0.00 0.00 175.26 174.15 1z94 n HIS 44 N 2.88 -0.28 -2.49 5.30 1.44 -1.26 -1.08 115.22 119.74 1z94 n HIS 44 Ca -0.13 -3.00 -0.39 0.00 -2.01 0.00 0.00 57.72 52.18 1z94 n HIS 44 Cb 0.58 0.14 -0.03 0.00 0.12 0.00 0.00 29.99 30.80 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 -2.34 6.27 -1.41 4.39 3.68 -1.00 -4.91 116.67 121.35 1z94 s ASP 45 Ca 0.31 -1.17 -0.14 0.00 2.13 0.00 0.00 52.55 53.68 1z94 s ASP 45 Cb 0.38 -2.57 0.07 0.00 -1.45 0.00 0.00 42.92 39.35 1z94 s ASP 45 CO -0.04 -1.72 2.11 0.00 0.13 0.00 0.00 175.17 175.66 1z94 n ALA 46 N 9.63 5.32 -2.53 3.66 0.00 -1.26 -3.68 120.51 131.64 1z94 n ALA 46 Ca 0.29 -3.96 -0.08 0.00 0.00 0.00 0.00 53.44 49.69 1z94 n ALA 46 Cb 0.50 -3.44 -0.10 0.00 0.00 0.00 0.00 19.45 16.41 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 2.78 0.53 -0.10 0.00 0.52 -1.26 -5.01 118.95 116.41 1z94 s ARG 47 Ca 0.46 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.47 1z94 s ARG 47 Cb 0.12 0.19 -0.06 0.00 0.52 0.00 0.00 34.95 35.72 1z94 s ARG 47 CO -0.06 -0.11 1.92 0.08 0.02 0.00 0.00 175.30 177.16 1z94 s VAL 48 N -2.89 3.23 0.00 3.52 1.01 -1.26 0.51 120.40 124.52 1z94 s VAL 48 Ca -0.03 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1z94 s VAL 48 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1z94 s VAL 48 CO -0.06 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1z94 n GLY 49 N 4.87 3.14 3.68 4.51 0.00 0.17 -5.00 105.19 116.56 1z94 n GLY 49 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1z94 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z94 n GLY 50 N -1.34 0.00 3.87 -0.02 0.00 0.18 -4.66 105.19 103.22 1z94 n GLY 50 Ca 0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1z94 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z94 s ALA 51 N -1.87 3.67 -0.16 4.61 0.00 -1.24 -1.63 121.76 125.15 1z94 s ALA 51 Ca 0.76 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 1z94 s ALA 51 Cb -0.33 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1z94 s ALA 51 CO 0.48 0.54 -0.03 -0.47 0.00 0.00 0.00 175.76 176.28 1z94 s TYR 52 N -1.52 3.03 -0.22 0.00 6.14 0.49 -2.36 117.35 122.91 1z94 s TYR 52 Ca 0.38 -0.29 -0.16 0.00 0.64 0.00 0.00 57.07 57.64 1z94 s TYR 52 Cb -0.13 -1.97 0.06 0.00 0.42 0.00 0.00 41.96 40.34 1z94 s TYR 52 CO 0.20 -0.03 0.55 0.15 0.64 0.00 0.00 175.55 177.06 1z94 s LYS 53 N 0.38 0.60 -0.20 4.97 -0.14 -0.24 -1.74 119.74 123.37 1z94 s LYS 53 Ca -0.04 0.90 -0.23 0.00 -1.36 0.00 0.00 55.97 55.25 1z94 s LYS 53 Cb -0.14 0.18 0.06 0.00 -1.68 0.00 0.00 37.83 36.24 1z94 s LYS 53 CO 0.03 -0.12 0.62 -1.83 -0.76 0.00 0.00 175.35 173.29 1z94 s GLU 55 N 0.96 0.77 0.03 1.68 -1.05 -0.23 -0.21 118.70 120.65 1z94 s GLU 55 Ca -0.05 0.75 -0.10 0.00 -0.15 0.00 0.00 54.97 55.43 1z94 s GLU 55 Cb -0.05 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1z94 s GLU 55 CO -0.09 -0.12 0.35 -0.06 0.95 0.00 0.00 175.26 176.30 1z94 s PHE 56 N 0.08 3.61 -0.06 4.83 0.08 0.85 -1.80 117.98 125.58 1z94 s PHE 56 Ca -0.02 0.75 0.01 0.00 0.12 0.00 0.00 56.93 57.79 1z94 s PHE 56 Cb -0.04 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 1z94 s PHE 56 CO 0.02 0.58 -0.06 -0.51 -0.10 0.00 0.00 175.22 175.15 1z94 s LEU 57 N -1.68 1.27 0.04 -0.37 1.02 -0.51 0.19 118.68 118.65 1z94 s LEU 57 Ca 0.29 -0.18 -0.31 0.00 0.02 0.00 0.00 54.13 53.96 1z94 s LEU 57 Cb -0.14 -0.57 -0.07 0.00 0.02 0.00 0.00 46.19 45.43 1z94 s LEU 57 CO 0.16 -0.06 1.49 0.00 0.02 0.00 0.00 176.35 177.95 1z94 s ALA 58 N 1.11 3.62 0.29 4.21 0.00 0.33 -1.29 121.76 130.02 1z94 s ALA 58 Ca -0.08 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.00 1z94 s ALA 58 Cb -0.14 -3.62 0.43 0.00 0.00 0.00 0.00 23.12 19.78 1z94 s ALA 58 CO -0.01 -0.93 1.67 0.35 0.00 0.00 0.00 175.76 176.84 1z94 h PHE 59 N 7.81 0.17 -0.00 0.00 3.57 -1.22 0.15 116.94 127.43 1z94 h PHE 59 Ca -0.40 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1z94 h PHE 59 Cb 1.19 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1z94 h PHE 59 CO 0.74 0.62 -0.22 0.00 -2.23 0.00 0.00 178.31 177.22 1z94 n ALA 60 N -2.46 2.90 0.00 2.41 0.00 -1.26 -4.31 120.51 117.79 1z94 n ALA 60 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1z94 n ALA 60 Cb 0.53 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1z94 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1z94 n SER 61 N -1.34 2.91 0.00 0.00 3.41 -1.20 -5.01 113.62 112.39 1z94 n SER 61 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1z94 n SER 61 Cb 0.32 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 1.84 1.51 3.57 5.00 0.00 0.52 -5.00 105.19 112.64 1z94 n GLY 62 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 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 0.65 -4.49 1.61 -0.06 -1.25 -4.54 117.38 107.30 1z94 n GLN 63 Ca 0.00 0.22 -0.34 0.00 -2.00 0.00 0.00 57.00 54.88 1z94 n GLN 63 Cb 0.00 -1.92 -0.10 0.00 -4.06 0.00 0.00 30.24 24.16 1z94 n GLN 63 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1z94 s LYS 64 N 4.46 2.90 -0.13 3.69 -2.85 -1.26 -0.52 119.74 126.03 1z94 s LYS 64 Ca 1.06 -0.48 -0.01 0.00 -1.00 0.00 0.00 55.97 55.55 1z94 s LYS 64 Cb -1.21 -2.70 0.04 0.00 -2.06 0.00 0.00 37.83 31.89 1z94 s LYS 64 CO 0.66 0.67 -0.02 -1.01 0.10 0.00 0.00 175.35 175.75 1z94 s HIS 65 N -0.80 1.18 0.06 1.78 3.76 0.13 -4.99 115.29 116.42 1z94 s HIS 65 Ca 0.12 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1z94 s HIS 65 Cb -0.11 -1.07 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 1z94 s HIS 65 CO 0.02 -0.50 0.18 0.00 -0.85 0.00 0.00 174.74 173.59 1z94 s ALA 66 N 1.81 3.89 0.19 -1.40 0.00 -1.26 -0.10 121.76 124.88 1z94 s ALA 66 Ca 0.03 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1z94 s ALA 66 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1z94 s ALA 66 CO -0.07 0.81 0.54 -0.59 0.00 0.00 0.00 175.76 176.44 1z94 s PHE 67 N -1.47 -0.18 -0.05 0.00 -0.71 -1.26 -2.07 117.98 112.23 1z94 s PHE 67 Ca 0.33 -0.15 -0.31 0.00 -1.04 0.00 0.00 56.93 55.76 1z94 s PHE 67 Cb -0.13 0.42 0.13 0.00 -1.21 0.00 0.00 43.02 42.23 1z94 s PHE 67 CO 0.26 -0.91 1.36 0.20 -1.34 0.00 0.00 175.22 174.79 1z94 s GLY 68 N -2.86 -0.39 0.00 1.99 0.00 -0.67 -4.53 107.32 100.86 1z94 s GLY 68 Ca 0.08 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1z94 s GLY 68 CO -0.04 1.56 0.00 0.61 0.00 0.00 0.00 173.10 175.23 1z94 n GLY 69 N -0.60 1.86 3.05 0.20 0.00 -0.71 0.84 105.19 109.83 1z94 n GLY 69 Ca -0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 1.97 0.49 -0.25 1.61 0.52 -1.23 0.18 118.95 122.24 1z94 s ARG 70 Ca 0.00 -0.97 -0.26 0.00 -0.52 0.00 0.00 55.73 53.98 1z94 s ARG 70 Cb 0.00 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1z94 s ARG 70 CO 0.00 -0.08 0.90 0.71 0.02 0.00 0.00 175.30 176.85 1z94 s TYR 71 N -2.90 3.29 -0.06 -0.53 2.02 -0.64 -1.45 117.35 117.08 1z94 s TYR 71 Ca -0.02 1.20 -0.03 0.00 -0.37 0.00 0.00 57.07 57.84 1z94 s TYR 71 Cb 0.01 -3.18 -0.27 0.00 -0.40 0.00 0.00 41.96 38.11 1z94 s TYR 71 CO -0.06 -0.47 0.61 -0.07 -1.57 0.00 0.00 175.55 173.99 1z94 h LEU 72 N 9.36 0.38 -7.61 -1.29 3.38 -1.00 0.50 115.31 119.04 1z94 h LEU 72 Ca -0.22 -0.68 -0.14 0.00 0.09 0.00 0.00 57.88 56.93 1z94 h LEU 72 Cb 1.08 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 1z94 h LEU 72 CO 0.92 1.60 -0.41 -1.61 0.09 0.00 0.00 178.44 179.02 1z94 s GLU 73 N -2.59 0.49 -0.15 1.13 2.02 -1.06 -4.73 118.70 113.81 1z94 s GLU 73 Ca -0.14 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 1z94 s GLU 73 Cb 0.07 0.21 0.07 0.00 0.10 0.00 0.00 34.13 34.58 1z94 s GLU 73 CO 0.82 -0.12 0.23 -0.51 0.02 0.00 0.00 175.26 175.70 1z94 s LEU 74 N -0.99 -0.19 -0.29 1.80 1.43 -1.26 -2.35 118.68 116.84 1z94 s LEU 74 Ca -0.11 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1z94 s LEU 74 Cb -0.05 0.50 0.08 0.00 0.03 0.00 0.00 46.19 46.75 1z94 s LEU 74 CO 0.02 -0.28 -0.01 -0.69 0.23 0.00 0.00 176.35 175.62 1z94 s VAL 75 N 2.36 1.88 -0.40 -1.59 1.01 -0.24 -4.98 120.40 118.45 1z94 s VAL 75 Ca 0.04 -1.76 -0.40 0.00 0.00 0.00 0.00 61.98 59.86 1z94 s VAL 75 Cb -0.14 -2.23 -0.17 0.00 0.00 0.00 0.00 36.38 33.84 1z94 s VAL 75 CO -0.10 -0.34 1.35 -2.65 0.00 0.00 0.00 175.10 173.37 1z94 n PRO 76 N 4.48 0.00 -1.56 2.72 -0.02 -1.26 0.05 135.00 139.41 1z94 n PRO 76 Ca -0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.23 1z94 n PRO 76 Cb 0.43 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 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 3.28 1.84 0.00 -1.23 0.00 -1.26 -4.74 105.19 103.07 1z94 n GLY 77 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.45 0.00 -3.69 1.61 1.02 0.11 -4.48 120.64 112.76 1z94 n GLU 78 Ca -0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 1z94 n GLU 78 Cb 0.63 -0.47 -0.09 0.00 -0.02 0.00 0.00 31.44 31.48 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 -1.00 0.60 -0.05 3.49 3.52 -0.30 -1.17 118.95 124.04 1z94 s ARG 79 Ca 0.00 0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 56.35 1z94 s ARG 79 Cb 0.00 0.26 0.04 0.00 -1.56 0.00 0.00 34.95 33.69 1z94 s ARG 79 CO 0.00 -0.09 0.09 0.42 -0.81 0.00 0.00 175.30 174.91 1z94 s ILE 80 N 0.46 -0.12 -0.07 4.11 1.01 -0.60 -1.08 121.20 124.90 1z94 s ILE 80 Ca -0.01 0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.97 1z94 s ILE 80 Cb -0.04 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.26 1z94 s ILE 80 CO -0.02 0.13 -0.12 -0.60 0.00 0.00 0.00 174.94 174.34 1z94 s ARG 81 N 1.73 1.69 0.03 2.79 3.52 -0.99 0.77 118.95 128.48 1z94 s ARG 81 Ca -0.02 -0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.10 1z94 s ARG 81 Cb -0.12 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.83 1z94 s ARG 81 CO -0.04 -0.02 0.19 1.52 -0.81 0.00 0.00 175.30 176.14 1z94 s TYR 82 N 0.82 0.05 0.43 5.12 1.13 -0.18 -0.33 117.35 124.39 1z94 s TYR 82 Ca -0.12 -0.24 -0.04 0.00 -1.41 0.00 0.00 57.07 55.27 1z94 s TYR 82 Cb -0.15 -0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 1z94 s TYR 82 CO 0.02 -0.40 0.71 0.95 -2.51 0.00 0.00 175.55 174.31 1z94 s THR 83 N -2.31 4.97 -0.02 -3.49 -4.23 -0.53 -1.49 115.64 108.54 1z94 s THR 83 Ca -0.07 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1z94 s THR 83 Cb -0.02 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.98 1z94 s THR 83 CO -0.03 -0.73 -0.03 -0.62 -0.54 0.00 0.00 174.62 172.68 1z94 s ASP 84 N -3.99 0.60 -0.06 3.99 3.68 -1.26 -3.50 116.67 116.13 1z94 s ASP 84 Ca 0.45 -0.08 -0.00 0.00 2.13 0.00 0.00 52.55 55.05 1z94 s ASP 84 Cb -0.10 -0.21 0.02 0.00 -1.45 0.00 0.00 42.92 41.18 1z94 s ASP 84 CO 0.41 -0.02 -0.03 -0.13 0.13 0.00 0.00 175.17 175.53 1z94 s ARG 85 N 0.51 0.80 -0.21 4.34 1.81 0.25 -4.63 118.95 121.82 1z94 s ARG 85 Ca -0.06 -0.02 -0.24 0.00 -1.72 0.00 0.00 55.73 53.69 1z94 s ARG 85 Cb -0.09 -0.98 -0.01 0.00 -0.45 0.00 0.00 34.95 33.42 1z94 s ARG 85 CO -0.01 -0.20 0.79 -0.06 -0.68 0.00 0.00 175.30 175.14 1z94 s PHE 86 N 1.49 3.35 -2.00 -0.53 0.40 -1.26 -1.67 117.98 117.77 1z94 s PHE 86 Ca -0.02 1.12 0.28 0.00 -0.60 0.00 0.00 56.93 57.71 1z94 s PHE 86 Cb -0.13 -2.99 1.65 0.00 0.51 0.00 0.00 43.02 42.06 1z94 s PHE 86 CO -0.03 -0.31 2.00 -0.25 0.70 0.00 0.00 175.22 177.32 1z94 n ASP 87 N 5.60 0.00 -4.77 1.36 9.92 -0.88 -4.72 116.55 123.06 1z94 n ASP 87 Ca 0.04 -0.90 -0.39 0.00 -0.53 0.00 0.00 54.79 53.01 1z94 n ASP 87 Cb 0.48 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.94 1z94 n ASP 87 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1z94 s ASP 88 N -1.98 6.58 -0.80 -2.24 2.15 -1.26 -4.92 116.67 114.20 1z94 s ASP 88 Ca 0.41 2.41 -0.25 0.00 0.43 0.00 0.00 52.55 55.55 1z94 s ASP 88 Cb 0.19 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1z94 s ASP 88 CO 0.32 -0.64 1.67 0.00 -0.17 0.00 0.00 175.17 176.36 1z94 s ALA 89 N -1.35 2.27 0.00 3.66 0.00 -1.26 -3.33 121.76 121.75 1z94 s ALA 89 Ca 0.55 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1z94 s ALA 89 Cb -0.33 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.39 1z94 s ALA 89 CO 0.41 -3.96 0.00 0.41 0.00 0.00 0.00 175.76 172.63 1z94 n GLY 90 N 6.17 0.64 2.48 0.00 0.00 -1.26 -5.08 105.19 108.13 1z94 n GLY 90 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.83 -4.79 0.99 4.77 -1.21 -5.10 117.00 112.49 1z94 n LEU 91 Ca 0.00 -4.22 -0.29 0.00 -0.03 0.00 0.00 56.01 51.47 1z94 n LEU 91 Cb 0.00 0.55 0.12 0.00 -2.33 0.00 0.00 43.42 41.76 1z94 n LEU 91 CO 0.00 1.90 0.71 -2.16 -1.33 0.00 0.00 177.39 176.51 1z94 s PRO 92 N -2.50 1.50 0.00 3.23 0.04 -1.26 -4.20 135.00 131.81 1z94 s PRO 92 Ca 0.32 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1z94 s PRO 92 Cb 0.40 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 33.08 1z94 s PRO 92 CO -0.02 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1z94 n GLY 93 N -2.08 0.87 3.58 0.56 0.00 -1.26 -4.98 105.19 101.88 1z94 n GLY 93 Ca 0.07 -2.21 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 1z94 n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z94 s ASP 94 N -0.43 3.31 -0.30 1.61 3.68 -1.26 -4.75 116.67 118.53 1z94 s ASP 94 Ca 0.00 -1.47 -0.17 0.00 2.13 0.00 0.00 52.55 53.04 1z94 s ASP 94 Cb 0.00 0.00 0.20 0.00 -1.45 0.00 0.00 42.92 41.68 1z94 s ASP 94 CO 0.00 -0.64 1.25 -0.63 0.13 0.00 0.00 175.17 175.28 1z94 s ILE 96 N -3.00 0.00 0.01 4.11 1.01 -0.76 -4.63 121.20 117.95 1z94 s ILE 96 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1z94 s ILE 96 Cb 0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1z94 s ILE 96 CO 0.14 0.00 -0.23 0.28 0.00 0.00 0.00 174.94 175.13 1z94 s THR 97 N 0.97 1.79 -0.06 2.92 -1.32 -0.55 0.20 115.64 119.59 1z94 s THR 97 Ca -0.07 -1.08 0.02 0.00 -1.21 0.00 0.00 61.69 59.35 1z94 s THR 97 Cb -0.03 -1.51 0.02 0.00 -1.51 0.00 0.00 72.50 69.47 1z94 s THR 97 CO -0.11 0.41 -0.09 0.28 -2.21 0.00 0.00 174.62 172.90 1z94 s THR 98 N -0.63 0.87 -0.19 5.08 -1.32 0.04 -1.01 115.64 118.47 1z94 s THR 98 Ca 0.09 -0.31 -0.07 0.00 -1.21 0.00 0.00 61.69 60.19 1z94 s THR 98 Cb -0.09 -0.83 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1z94 s THR 98 CO 0.00 0.30 0.04 -0.63 -2.21 0.00 0.00 174.62 172.12 1z94 s ILE 99 N 0.84 4.47 -0.09 5.08 -1.09 0.23 -2.08 121.20 128.57 1z94 s ILE 99 Ca -0.12 -0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1z94 s ILE 99 Cb -0.15 -3.02 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1z94 s ILE 99 CO 0.02 0.44 -0.19 0.42 -1.23 0.00 0.00 174.94 174.39 1z94 s THR 100 N 0.67 1.69 0.01 2.92 -4.23 0.29 -1.56 115.64 115.43 1z94 s THR 100 Ca 0.02 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 1z94 s THR 100 Cb -0.13 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 1z94 s THR 100 CO 0.02 0.48 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.60 1z94 s LEU 101 N 0.48 2.10 0.02 4.79 1.43 -0.32 -0.77 118.68 126.41 1z94 s LEU 101 Ca -0.17 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1z94 s LEU 101 Cb -0.17 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1z94 s LEU 101 CO 0.07 0.23 0.01 0.00 0.23 0.00 0.00 176.35 176.88 1z94 s ALA 102 N -0.65 0.08 0.54 4.21 0.00 -0.90 -4.57 121.76 120.47 1z94 s ALA 102 Ca 0.08 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 1z94 s ALA 102 Cb -0.09 0.17 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 1z94 s ALA 102 CO 0.00 -0.21 1.00 -1.25 0.00 0.00 0.00 175.76 175.31 1z94 s PRO 103 N -1.83 3.86 0.09 0.00 0.04 -1.26 -0.72 135.00 135.17 1z94 s PRO 103 Ca -0.12 0.92 -0.06 0.00 0.04 0.00 0.00 61.00 61.78 1z94 s PRO 103 Cb -0.07 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1z94 s PRO 103 CO -0.02 -0.35 0.13 -0.51 0.04 0.00 0.00 177.00 176.29 1z94 s LEU 104 N -4.31 1.70 0.32 -3.56 1.43 -0.61 -4.72 118.68 108.93 1z94 s LEU 104 Ca 0.58 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1z94 s LEU 104 Cb -0.10 0.78 0.53 0.00 0.03 0.00 0.00 46.19 47.42 1z94 s LEU 104 CO 0.36 -0.71 1.97 0.28 0.23 0.00 0.00 176.35 178.49 1z94 h SER 105 N 2.85 0.86 0.97 2.29 0.02 -2.00 -1.37 113.55 117.18 1z94 h SER 105 Ca -0.34 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1z94 h SER 105 Cb 1.18 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1z94 h SER 105 CO 0.58 0.61 -0.17 0.00 -1.14 0.00 0.00 176.83 176.71 1z94 n GLY 107 N 1.45 -0.36 3.23 0.00 0.00 -0.52 -4.02 105.19 104.96 1z94 n GLY 107 Ca 0.06 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.77 -0.23 4.61 0.00 0.04 -1.57 121.76 122.84 1z94 s ALA 108 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 1z94 s ALA 108 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1z94 s ALA 108 CO 0.00 -0.22 0.13 0.34 0.00 0.00 0.00 175.76 176.01 1z94 s ASP 109 N -0.85 5.93 -0.19 0.00 -1.08 0.10 -0.31 116.67 120.27 1z94 s ASP 109 Ca -0.09 0.07 -0.02 0.00 -0.52 0.00 0.00 52.55 51.99 1z94 s ASP 109 Cb -0.04 -2.06 -0.00 0.00 -1.46 0.00 0.00 42.92 39.35 1z94 s ASP 109 CO 0.03 0.07 -0.10 -0.22 0.52 0.00 0.00 175.17 175.47 1z94 s LEU 110 N 0.99 2.66 -0.11 -1.34 2.96 0.58 -2.12 118.68 122.30 1z94 s LEU 110 Ca 0.07 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1z94 s LEU 110 Cb -0.13 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1z94 s LEU 110 CO 0.04 0.02 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.34 1z94 s SER 111 N 1.21 3.42 -0.04 3.68 0.15 0.05 -1.21 113.70 120.96 1z94 s SER 111 Ca 0.02 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.23 1z94 s SER 111 Cb -0.14 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1z94 s SER 111 CO -0.04 0.16 -0.13 -0.63 1.20 0.00 0.00 173.24 173.80 1z94 s ILE 112 N 0.35 1.15 -0.02 6.45 1.01 -0.45 -0.55 121.20 129.14 1z94 s ILE 112 Ca -0.16 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1z94 s ILE 112 Cb -0.17 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.31 1z94 s ILE 112 CO 0.08 0.34 0.01 0.54 0.00 0.00 0.00 174.94 175.91 1z94 s VAL 113 N 0.22 0.09 -0.17 2.92 0.11 -0.88 -0.13 120.40 122.55 1z94 s VAL 113 Ca -0.06 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1z94 s VAL 113 Cb -0.11 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1z94 s VAL 113 CO 0.02 0.10 -0.16 -1.10 -3.33 0.00 0.00 175.10 170.62 1z94 s GLN 114 N 0.73 2.60 0.30 1.54 -0.21 0.24 -0.78 119.66 124.07 1z94 s GLN 114 Ca -0.07 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.64 1z94 s GLN 114 Cb -0.10 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.50 1z94 s GLN 114 CO -0.02 -0.25 0.27 -1.21 -2.12 0.00 0.00 175.29 171.96 1z94 s GLU 115 N 1.37 2.83 -1.36 2.91 2.02 0.13 -0.55 118.70 126.05 1z94 s GLU 115 Ca 0.04 -1.18 -0.00 0.00 0.02 0.00 0.00 54.97 53.84 1z94 s GLU 115 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1z94 s GLU 115 CO -0.11 0.21 0.02 0.41 0.02 0.00 0.00 175.26 175.80 1z94 n GLY 116 N -1.32 -0.29 3.70 -1.39 0.00 -1.18 -1.82 105.19 102.89 1z94 n GLY 116 Ca -0.04 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.81 4.10 0.34 -0.61 1.01 0.14 -4.73 121.20 118.64 1z94 s ILE 117 Ca 0.01 1.47 -0.27 0.00 0.00 0.00 0.00 60.65 61.86 1z94 s ILE 117 Cb -0.00 -3.94 -0.13 0.00 0.01 0.00 0.00 42.46 38.40 1z94 s ILE 117 CO 0.01 0.04 1.01 -2.65 0.00 0.00 0.00 174.94 173.35 1z94 n PRO 118 N 4.80 1.39 0.28 2.79 -0.02 -1.26 -0.09 135.00 142.90 1z94 n PRO 118 Ca 0.11 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 1z94 n PRO 118 Cb 0.46 -1.93 0.82 0.00 -0.02 0.00 0.00 33.50 32.83 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 1.87 0.00 -0.67 2.55 5.19 -1.92 -2.25 116.42 121.18 1z94 h ASP 119 Ca -0.42 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.96 1z94 h ASP 119 Cb 1.34 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 1z94 h ASP 119 CO 0.59 0.08 0.27 0.00 -3.12 0.00 0.00 179.24 177.06 1z94 h ALA 120 N 1.92 1.18 -1.91 3.45 0.00 -1.99 -3.40 119.26 118.52 1z94 h ALA 120 Ca -0.00 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.15 1z94 h ALA 120 Cb 0.24 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 1z94 h ALA 120 CO 0.01 0.59 0.71 0.42 0.00 0.00 0.00 179.25 180.98 1z94 s ILE 121 N -5.46 4.44 0.11 0.00 -1.09 -0.85 -5.00 121.20 113.35 1z94 s ILE 121 Ca -0.11 1.14 -0.31 0.00 -2.23 0.00 0.00 60.65 59.14 1z94 s ILE 121 Cb 0.16 -4.45 -0.10 0.00 -1.58 0.00 0.00 42.46 36.50 1z94 s ILE 121 CO 0.81 -0.74 1.77 -2.16 -1.23 0.00 0.00 174.94 173.40 1z94 s PRO 122 N 3.84 4.15 0.30 2.79 0.04 -1.26 -4.82 135.00 140.05 1z94 s PRO 122 Ca 0.41 2.52 0.07 0.00 0.04 0.00 0.00 61.00 64.04 1z94 s PRO 122 Cb -0.10 -3.58 0.79 0.00 0.04 0.00 0.00 34.50 31.65 1z94 s PRO 122 CO 0.24 -0.81 1.73 -1.35 0.04 0.00 0.00 177.00 176.85 1z94 h PRO 123 N 8.46 0.56 -0.94 0.56 0.11 -1.91 0.13 132.00 138.97 1z94 h PRO 123 Ca -0.45 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1z94 h PRO 123 Cb 1.21 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1z94 h PRO 123 CO 0.94 0.37 0.60 1.05 -0.21 0.00 0.00 178.00 180.75 1z94 h GLU 124 N 0.57 0.71 -0.28 1.05 4.11 -2.00 0.53 114.58 119.27 1z94 h GLU 124 Ca 0.60 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.89 1z94 h GLU 124 Cb 1.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1z94 h GLU 124 CO -0.46 0.47 -0.22 -0.91 0.07 0.00 0.00 179.01 177.96 1z94 h ASN 125 N 0.73 0.52 -0.36 3.06 4.21 -1.34 -1.80 115.58 120.61 1z94 h ASN 125 Ca 0.49 -0.17 -0.13 0.00 1.21 0.00 0.00 56.30 57.71 1z94 h ASN 125 Cb 0.78 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 1z94 h ASN 125 CO -0.25 0.74 -0.25 0.00 -1.29 0.00 0.00 177.43 176.38 1z94 h TYR 127 N 0.74 0.37 -0.74 0.00 0.05 -1.17 -0.39 116.97 115.84 1z94 h TYR 127 Ca 0.09 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 58.86 1z94 h TYR 127 Cb 0.79 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.39 1z94 h TYR 127 CO 0.05 0.52 0.45 -0.07 -1.05 0.00 0.00 178.16 178.06 1z94 h LEU 128 N 0.12 0.72 -0.12 3.88 3.38 -1.23 0.90 115.31 122.95 1z94 h LEU 128 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1z94 h LEU 128 Cb 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1z94 h LEU 128 CO 0.01 0.48 0.06 1.23 0.09 0.00 0.00 178.44 180.31 1z94 h GLY 129 N 0.86 0.19 1.32 0.83 0.00 -1.01 -2.65 103.07 102.60 1z94 h GLY 129 Ca 0.31 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1z94 h GLY 129 CO -0.14 0.09 0.07 1.49 0.00 0.00 0.00 176.54 178.05 1z94 h TRP 130 N 0.07 0.88 -0.92 5.60 4.06 -0.66 -2.32 115.95 122.66 1z94 h TRP 130 Ca 0.04 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 60.90 1z94 h TRP 130 Cb 0.12 -0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 27.99 1z94 h TRP 130 CO -0.03 0.77 0.61 1.96 -3.56 0.00 0.00 178.44 178.19 1z94 h GLN 131 N 0.80 1.21 -0.24 0.49 4.20 -0.68 0.26 115.11 121.15 1z94 h GLN 131 Ca 0.17 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1z94 h GLN 131 Cb 0.37 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1z94 h GLN 131 CO 0.01 0.80 -0.05 1.96 -0.67 0.00 0.00 178.83 180.88 1z94 h GLN 132 N 1.25 0.46 -0.44 1.46 4.20 -1.26 -2.53 115.11 118.25 1z94 h GLN 132 Ca 0.34 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1z94 h GLN 132 Cb -0.14 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1z94 h GLN 132 CO -0.07 0.68 -0.01 0.77 -0.67 0.00 0.00 178.83 179.53 1z94 h SER 133 N 0.21 0.69 0.02 1.46 0.02 -0.94 -2.46 113.55 112.55 1z94 h SER 133 Ca 0.06 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1z94 h SER 133 Cb 0.50 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1z94 h SER 133 CO 0.02 0.76 -0.38 -0.07 -1.14 0.00 0.00 176.83 176.03 1z94 h LEU 134 N 0.67 0.49 -0.59 5.07 3.38 -0.46 0.69 115.31 124.58 1z94 h LEU 134 Ca 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1z94 h LEU 134 Cb 0.44 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1z94 h LEU 134 CO 0.02 0.83 0.23 0.50 0.09 0.00 0.00 178.44 180.11 1z94 h LYS 135 N 0.39 0.88 -0.27 1.13 3.64 -1.18 -1.47 116.57 119.69 1z94 h LYS 135 Ca 0.04 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1z94 h LYS 135 Cb 0.85 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1z94 h LYS 135 CO 0.07 0.75 -0.35 1.96 -2.27 0.00 0.00 179.45 179.61 1z94 h GLN 136 N 0.81 0.58 -0.51 1.90 4.20 -1.06 -2.73 115.11 118.30 1z94 h GLN 136 Ca 0.19 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1z94 h GLN 136 Cb 0.21 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1z94 h GLN 136 CO -0.02 0.85 0.24 1.25 -0.67 0.00 0.00 178.83 180.49 1z94 h LEU 137 N 0.49 0.68 -0.67 1.46 5.85 -0.55 -2.78 115.31 119.79 1z94 h LEU 137 Ca 0.05 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1z94 h LEU 137 Cb 0.84 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1z94 h LEU 137 CO 0.07 0.62 0.42 0.00 -0.34 0.00 0.00 178.44 179.21 1z94 h ALA 138 N 1.08 0.86 -0.25 1.25 0.00 -1.13 -0.94 119.26 120.14 1z94 h ALA 138 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1z94 h ALA 138 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1z94 h ALA 138 CO -0.02 0.31 0.10 0.00 0.00 0.00 0.00 179.25 179.64 1z94 h ALA 139 N 1.23 1.72 0.13 0.00 0.00 -1.32 -1.25 119.26 119.77 1z94 h ALA 139 Ca 0.24 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1z94 h ALA 139 Cb -0.06 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.64 1z94 h ALA 139 CO -0.05 0.23 -0.74 1.25 0.00 0.00 0.00 179.25 179.94 1z94 h LEU 140 N 0.34 0.43 0.00 0.00 5.85 -1.14 -3.40 115.31 117.39 1z94 h LEU 140 Ca 0.09 -0.96 -0.13 0.00 0.84 0.00 0.00 57.88 57.72 1z94 h LEU 140 Cb 0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1z94 h LEU 140 CO -0.01 1.36 -1.22 1.62 -0.34 0.00 0.00 178.44 179.85 1z94 h VAL 141 N -0.43 0.46 -0.04 1.05 3.04 -1.10 -3.38 116.25 115.86 1z94 h VAL 141 Ca -0.13 -1.86 -0.14 0.00 -1.01 0.00 0.00 66.70 63.56 1z94 h VAL 141 Cb 1.58 2.00 -0.01 0.00 -2.01 0.00 0.00 31.29 32.85 1z94 h VAL 141 CO 0.14 0.26 -0.62 -0.33 -1.01 0.00 0.00 177.57 176.01 1z94 h GLU 142 N 0.00 0.13 -6.96 4.17 5.08 -1.44 -3.44 114.58 112.13 1z94 h GLU 142 Ca -0.12 -0.09 -0.56 0.00 -1.00 0.00 0.00 59.36 57.59 1z94 h GLU 142 Cb 1.47 0.02 0.14 0.00 0.50 0.00 0.00 28.75 30.87 1z94 h GLU 142 CO 0.04 0.71 0.50 -2.30 -1.00 0.00 0.00 179.01 176.96 1z94 n PRO 143 N -3.83 1.62 -0.13 2.33 -0.02 -1.26 -4.81 135.00 128.90 1z94 n PRO 143 Ca -0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1z94 n PRO 143 Cb 0.62 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1z94 n PRO 143 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01