#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z54 s GLU 2 N 0.00 1.92 0.18 0.03 2.12 -1.26 -4.49 118.70 117.20 1z54 s GLU 2 Ca 0.00 -1.05 0.11 0.00 0.36 0.00 0.00 54.97 54.40 1z54 s GLU 2 Cb 0.00 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 1z54 s GLU 2 CO 0.00 0.53 -0.24 -1.54 -0.54 0.00 0.00 175.26 173.47 1z54 s SER 3 N -1.17 3.43 -0.09 -1.70 1.04 -0.64 -4.95 113.70 109.62 1z54 s SER 3 Ca 0.12 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.76 1z54 s SER 3 Cb -0.10 -0.26 -0.00 0.00 0.10 0.00 0.00 66.02 65.76 1z54 s SER 3 CO 0.02 0.13 -0.24 -0.69 0.98 0.00 0.00 173.24 173.44 1z54 s VAL 4 N -1.56 2.05 -0.16 5.02 1.01 -1.26 -0.65 120.40 124.85 1z54 s VAL 4 Ca 0.20 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1z54 s VAL 4 Cb -0.08 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1z54 s VAL 4 CO 0.09 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.66 1z54 s THR 5 N 0.24 2.16 -0.11 3.92 2.01 0.32 -4.92 115.64 119.25 1z54 s THR 5 Ca -0.16 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 1z54 s THR 5 Cb -0.17 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 1z54 s THR 5 CO 0.08 0.54 0.34 -0.13 -0.69 0.00 0.00 174.62 174.75 1z54 s ARG 6 N 1.07 4.12 -0.09 4.92 0.52 -1.26 -0.53 118.95 127.70 1z54 s ARG 6 Ca -0.01 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 1z54 s ARG 6 Cb -0.14 -3.36 0.02 0.00 0.52 0.00 0.00 34.95 31.99 1z54 s ARG 6 CO -0.07 0.38 -0.07 0.42 0.02 0.00 0.00 175.30 175.97 1z54 s ILE 7 N 0.00 0.92 -0.13 1.52 1.01 -0.03 -4.97 121.20 119.52 1z54 s ILE 7 Ca 0.20 -0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.30 1z54 s ILE 7 Cb -0.14 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1z54 s ILE 7 CO 0.07 0.34 0.94 -0.75 0.00 0.00 0.00 174.94 175.54 1z54 s LYS 8 N 1.39 4.38 0.21 2.79 2.20 -1.26 -0.57 119.74 128.88 1z54 s LYS 8 Ca -0.02 1.26 -0.31 0.00 -0.36 0.00 0.00 55.97 56.54 1z54 s LYS 8 Cb -0.13 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.53 1z54 s LYS 8 CO -0.04 -0.32 1.59 0.08 -0.36 0.00 0.00 175.35 176.30 1z54 s VAL 9 N 2.05 2.39 0.16 4.02 1.01 -0.73 -4.98 120.40 124.32 1z54 s VAL 9 Ca 0.45 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1z54 s VAL 9 Cb -0.18 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1z54 s VAL 9 CO 0.16 0.03 0.47 -0.13 0.00 0.00 0.00 175.10 175.63 1z54 s ARG 10 N 0.63 3.78 0.22 2.72 0.52 -1.26 -4.34 118.95 121.22 1z54 s ARG 10 Ca 0.68 0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 56.02 1z54 s ARG 10 Cb -0.46 -2.83 0.32 0.00 0.52 0.00 0.00 34.95 32.50 1z54 s ARG 10 CO 0.36 0.44 1.77 -0.92 0.02 0.00 0.00 175.30 176.97 1z54 h TYR 11 N 3.07 0.55 -0.00 -0.53 3.20 -1.98 -0.45 116.97 120.83 1z54 h TYR 11 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1z54 h TYR 11 Cb 1.18 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1z54 h TYR 11 CO 0.63 0.18 0.00 0.00 -1.64 0.00 0.00 178.16 177.34 1z54 h ALA 12 N 1.42 1.07 -0.00 1.82 0.00 -2.03 -2.50 119.26 119.04 1z54 h ALA 12 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1z54 h ALA 12 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1z54 h ALA 12 CO -0.28 -0.00 -0.13 0.39 0.00 0.00 0.00 179.25 179.23 1z54 n GLU 13 N -3.18 0.26 -3.40 0.00 1.02 -0.18 -4.88 120.64 110.29 1z54 n GLU 13 Ca -0.03 -0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.75 1z54 n GLU 13 Cb 0.07 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 1z54 n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1z54 s THR 14 N -2.79 5.03 0.06 2.62 -4.23 -0.94 -0.90 115.64 114.48 1z54 s THR 14 Ca 0.20 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1z54 s THR 14 Cb 0.19 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.33 1z54 s THR 14 CO 0.54 -0.24 0.05 -0.90 -0.54 0.00 0.00 174.62 173.52 1z54 n ASP 15 N -0.71 1.05 0.26 3.99 5.68 0.14 -4.75 116.55 122.20 1z54 n ASP 15 Ca -0.02 -1.19 0.08 0.00 -0.50 0.00 0.00 54.79 53.17 1z54 n ASP 15 Cb 0.53 -0.01 0.64 0.00 -1.14 0.00 0.00 41.12 41.14 1z54 n ASP 15 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1z54 h GLN 16 N 0.00 0.00 0.00 0.11 4.20 -2.00 -0.19 115.11 117.24 1z54 h GLN 16 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1z54 h GLN 16 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1z54 h GLN 16 CO 0.05 0.04 0.00 -1.33 -0.67 0.00 0.00 178.83 176.92 1z54 n MET 17 N -4.43 0.41 -0.91 1.46 2.81 -1.26 -4.84 117.12 110.36 1z54 n MET 17 Ca -0.03 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1z54 n MET 17 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1z54 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1z54 n GLY 18 N 0.33 0.54 3.57 3.03 0.00 -0.08 -5.04 105.19 107.54 1z54 n GLY 18 Ca 0.12 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1z54 n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1z54 s VAL 19 N -2.00 1.87 0.06 1.61 -7.23 -1.26 -4.65 120.40 108.80 1z54 s VAL 19 Ca 0.00 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 57.83 1z54 s VAL 19 Cb 0.00 -2.87 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 1z54 s VAL 19 CO 0.00 -0.05 1.67 -0.69 -0.31 0.00 0.00 175.10 175.72 1z54 s VAL 20 N -2.82 3.06 0.34 1.32 1.01 -0.69 0.23 120.40 122.85 1z54 s VAL 20 Ca 0.35 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 1z54 s VAL 20 Cb 0.08 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 1z54 s VAL 20 CO 0.17 -0.01 1.51 1.57 0.00 0.00 0.00 175.10 178.34 1z54 n HIS 21 N 5.80 2.85 0.06 5.22 -0.00 -0.08 -4.82 115.22 124.24 1z54 n HIS 21 Ca 0.16 0.38 0.19 0.00 0.46 0.00 0.00 57.72 58.92 1z54 n HIS 21 Cb 0.41 -2.54 0.72 0.00 -0.12 0.00 0.00 29.99 28.46 1z54 n HIS 21 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 1z54 h HIS 22 N 3.64 0.00 0.00 1.57 2.07 -1.91 -0.56 115.15 119.96 1z54 h HIS 22 Ca -0.49 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.01 1z54 h HIS 22 Cb 1.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.22 1z54 h HIS 22 CO 0.55 0.00 -0.12 0.66 -3.07 0.00 0.00 177.93 175.95 1z54 h SER 23 N 0.00 0.00 0.59 3.10 4.64 -1.97 -2.98 113.55 116.93 1z54 h SER 23 Ca 0.21 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1z54 h SER 23 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1z54 h SER 23 CO -0.00 0.12 -0.50 0.58 -0.87 0.00 0.00 176.83 176.16 1z54 h VAL 24 N 0.00 1.27 -0.83 0.95 2.07 -1.45 -3.20 116.25 115.06 1z54 h VAL 24 Ca -0.00 -1.75 0.13 0.00 0.82 0.00 0.00 66.70 65.89 1z54 h VAL 24 Cb 0.62 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1z54 h VAL 24 CO 0.02 0.49 0.54 1.88 0.02 0.00 0.00 177.57 180.52 1z54 h TYR 25 N 0.00 0.75 -0.78 1.57 0.05 -1.63 0.85 116.97 117.78 1z54 h TYR 25 Ca -0.00 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1z54 h TYR 25 Cb 0.93 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.39 1z54 h TYR 25 CO 0.00 0.31 0.47 0.00 -1.05 0.00 0.00 178.16 177.89 1z54 h ALA 26 N 1.61 1.35 -0.19 3.88 0.00 -1.75 -0.12 119.26 124.04 1z54 h ALA 26 Ca 0.41 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1z54 h ALA 26 Cb 0.64 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1z54 h ALA 26 CO -0.17 0.56 -0.31 0.28 0.00 0.00 0.00 179.25 179.61 1z54 h VAL 27 N 1.08 1.28 -0.20 0.00 2.07 -1.02 -1.27 116.25 118.18 1z54 h VAL 27 Ca 0.28 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1z54 h VAL 27 Cb -0.04 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1z54 h VAL 27 CO -0.05 0.42 0.06 1.88 0.02 0.00 0.00 177.57 179.90 1z54 h TYR 28 N 0.33 0.31 -0.59 1.57 0.99 -0.50 -1.64 116.97 117.44 1z54 h TYR 28 Ca 0.04 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.76 1z54 h TYR 28 Cb 0.72 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 38.32 1z54 h TYR 28 CO 0.02 0.39 0.39 -0.07 -0.00 0.00 0.00 178.16 178.89 1z54 h LEU 29 N 0.15 0.64 -0.05 3.88 3.38 -0.77 -1.65 115.31 120.89 1z54 h LEU 29 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1z54 h LEU 29 Cb 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1z54 h LEU 29 CO -0.00 0.46 -0.00 -0.08 0.09 0.00 0.00 178.44 178.90 1z54 h GLU 30 N 0.76 0.09 -0.74 1.13 4.81 -0.89 0.32 114.58 120.06 1z54 h GLU 30 Ca 0.23 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1z54 h GLU 30 Cb -0.02 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1z54 h GLU 30 CO -0.05 0.39 0.46 0.00 -0.73 0.00 0.00 179.01 179.08 1z54 h ALA 31 N 0.69 1.42 -0.28 2.92 0.00 -0.95 0.15 119.26 123.22 1z54 h ALA 31 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1z54 h ALA 31 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1z54 h ALA 31 CO 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 1z54 h ALA 32 N 1.50 0.38 -0.56 0.00 0.00 -1.18 0.01 119.26 119.42 1z54 h ALA 32 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1z54 h ALA 32 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1z54 h ALA 32 CO -0.05 0.20 0.25 -0.09 0.00 0.00 0.00 179.25 179.56 1z54 h ARG 33 N 0.30 0.81 -0.42 0.00 2.43 -0.50 0.13 114.38 117.13 1z54 h ARG 33 Ca 0.07 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1z54 h ARG 33 Cb 0.55 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1z54 h ARG 33 CO 0.03 0.68 -0.10 0.28 -1.51 0.00 0.00 179.97 179.34 1z54 h VAL 34 N 0.75 1.25 -0.47 0.20 2.07 -0.60 -0.68 116.25 118.78 1z54 h VAL 34 Ca 0.19 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1z54 h VAL 34 Cb 0.14 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1z54 h VAL 34 CO -0.02 0.39 0.02 -0.78 0.02 0.00 0.00 177.57 177.20 1z54 h ASP 35 N 0.67 0.79 -0.26 0.57 3.58 -0.59 -0.21 116.42 120.97 1z54 h ASP 35 Ca 0.12 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1z54 h ASP 35 Cb 0.56 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1z54 h ASP 35 CO 0.03 0.89 0.16 0.15 -2.88 0.00 0.00 179.24 177.59 1z54 h PHE 36 N 0.67 0.34 -0.53 0.28 3.04 -0.33 0.10 116.94 120.51 1z54 h PHE 36 Ca 0.14 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 1z54 h PHE 36 Cb 0.47 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 1z54 h PHE 36 CO 0.04 0.25 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.46 1z54 h LEU 37 N 0.32 0.93 -0.45 0.59 3.38 -1.00 -2.00 115.31 117.08 1z54 h LEU 37 Ca 0.09 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1z54 h LEU 37 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1z54 h LEU 37 CO -0.02 1.01 0.09 -0.08 0.09 0.00 0.00 178.44 179.53 1z54 h GLU 38 N 0.86 0.74 -0.26 1.13 4.81 -0.71 0.32 114.58 121.47 1z54 h GLU 38 Ca 0.15 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1z54 h GLU 38 Cb 0.56 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1z54 h GLU 38 CO 0.03 0.75 -0.01 0.00 -0.73 0.00 0.00 179.01 179.05 1z54 h ARG 39 N 0.61 0.40 0.00 1.92 3.08 -0.81 -0.87 114.38 118.70 1z54 h ARG 39 Ca 0.14 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1z54 h ARG 39 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1z54 h ARG 39 CO 0.01 0.44 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 1z54 n ALA 40 N -2.48 2.38 -0.85 0.04 0.00 -0.77 -4.83 120.51 114.00 1z54 n ALA 40 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1z54 n ALA 40 Cb 0.22 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1z54 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z54 n GLY 41 N 0.51 0.48 2.80 0.00 0.00 -0.33 -4.98 105.19 103.66 1z54 n GLY 41 Ca 0.18 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 1z54 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1z54 n LEU 42 N 0.00 3.93 -4.59 0.99 4.77 0.11 -5.00 117.00 117.21 1z54 n LEU 42 Ca 0.00 -5.54 -0.51 0.00 -0.03 0.00 0.00 56.01 49.94 1z54 n LEU 42 Cb 0.00 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 1z54 n LEU 42 CO 0.00 2.33 1.60 -0.81 -1.33 0.00 0.00 177.39 179.19 1z54 n PRO 43 N -0.18 1.52 -0.18 3.23 -0.04 -1.25 -3.99 135.00 134.11 1z54 n PRO 43 Ca 0.30 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.41 1z54 n PRO 43 Cb 0.45 -2.50 0.47 0.00 -0.04 0.00 0.00 33.50 31.89 1z54 n PRO 43 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1z54 h TYR 44 N 10.42 0.56 -0.06 0.54 3.20 -1.87 0.23 116.97 129.98 1z54 h TYR 44 Ca -0.39 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1z54 h TYR 44 Cb 1.30 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1z54 h TYR 44 CO 0.89 0.22 -0.05 1.12 -1.64 0.00 0.00 178.16 178.70 1z54 h HIS 45 N 0.48 0.08 0.06 -3.82 2.07 -1.98 -0.08 115.15 111.96 1z54 h HIS 45 Ca 0.38 -0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.65 1z54 h HIS 45 Cb 0.78 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.74 1z54 h HIS 45 CO -0.00 0.14 -1.07 0.00 -3.07 0.00 0.00 177.93 173.92 1z54 h ARG 46 N 0.08 0.38 -0.56 5.12 2.47 -0.95 -1.92 114.38 119.01 1z54 h ARG 46 Ca 0.02 -0.49 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 1z54 h ARG 46 Cb 0.15 0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 1z54 h ARG 46 CO 0.01 1.17 0.29 0.28 0.56 0.00 0.00 179.97 182.28 1z54 h VAL 47 N 0.18 1.19 -0.14 2.04 2.07 -0.23 -2.11 116.25 119.25 1z54 h VAL 47 Ca -0.11 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1z54 h VAL 47 Cb 1.74 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1z54 h VAL 47 CO 0.18 0.21 -0.50 -0.33 0.02 0.00 0.00 177.57 177.15 1z54 h GLU 48 N 0.75 0.36 -0.87 1.57 5.08 -0.86 -1.63 114.58 118.98 1z54 h GLU 48 Ca 0.19 -0.21 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1z54 h GLU 48 Cb 0.07 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 1z54 h GLU 48 CO -0.03 0.78 0.45 0.00 -1.00 0.00 0.00 179.01 179.22 1z54 h ALA 49 N 1.18 1.34 -0.12 3.43 0.00 -0.67 0.55 119.26 124.96 1z54 h ALA 49 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1z54 h ALA 49 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1z54 h ALA 49 CO 0.08 -0.11 0.00 2.89 0.00 0.00 0.00 179.25 182.12 1z54 n ARG 50 N -4.87 1.29 -0.87 0.00 1.85 -1.01 -4.87 116.66 108.18 1z54 n ARG 50 Ca 0.18 -0.43 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 1z54 n ARG 50 Cb 0.47 -1.12 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 1z54 n ARG 50 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1z54 n GLY 51 N 0.66 0.46 3.53 2.89 0.00 0.19 -5.06 105.19 107.86 1z54 n GLY 51 Ca 0.04 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1z54 n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z54 s VAL 52 N -2.00 3.86 0.04 1.61 1.01 -0.63 -4.04 120.40 120.26 1z54 s VAL 52 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1z54 s VAL 52 Cb 0.00 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1z54 s VAL 52 CO 0.00 0.52 -0.10 -0.36 0.00 0.00 0.00 175.10 175.16 1z54 s PHE 53 N 0.03 0.90 -0.69 5.22 0.08 0.34 -2.70 117.98 121.16 1z54 s PHE 53 Ca 0.00 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.71 1z54 s PHE 53 Cb -0.13 -0.54 0.27 0.00 -0.57 0.00 0.00 43.02 42.05 1z54 s PHE 53 CO 0.03 -0.01 0.90 1.19 -0.10 0.00 0.00 175.22 177.22 1z54 n PHE 54 N 1.81 3.54 -1.78 0.36 3.72 -1.26 -0.83 117.46 123.02 1z54 n PHE 54 Ca -0.19 -3.91 -0.39 0.00 -0.05 0.00 0.00 57.45 52.91 1z54 n PHE 54 Cb 0.55 -0.65 0.03 0.00 -0.94 0.00 0.00 39.48 38.47 1z54 n PHE 54 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1z54 s PRO 55 N -2.74 3.45 -0.03 -1.08 0.04 -1.13 -4.67 135.00 128.84 1z54 s PRO 55 Ca 0.40 2.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 1z54 s PRO 55 Cb 0.16 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1z54 s PRO 55 CO -0.02 -0.99 1.07 0.08 0.04 0.00 0.00 177.00 177.18 1z54 s VAL 56 N -1.24 4.59 -0.29 -0.36 1.01 -1.26 -1.93 120.40 120.91 1z54 s VAL 56 Ca 0.65 1.86 0.07 0.00 0.00 0.00 0.00 61.98 64.57 1z54 s VAL 56 Cb -0.43 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.68 1z54 s VAL 56 CO 0.53 0.07 0.28 1.33 0.00 0.00 0.00 175.10 177.32 1z54 n VAL 57 N 4.24 0.00 -3.65 2.92 0.24 0.60 -4.96 118.33 117.72 1z54 n VAL 57 Ca 0.08 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.97 1z54 n VAL 57 Cb 0.49 0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 33.69 1z54 n VAL 57 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1z54 s GLU 58 N -1.78 0.70 0.05 7.34 2.12 -1.11 -4.97 118.70 121.04 1z54 s GLU 58 Ca 0.02 1.05 0.07 0.00 0.36 0.00 0.00 54.97 56.47 1z54 s GLU 58 Cb 0.05 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1z54 s GLU 58 CO 0.29 -0.13 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.51 1z54 s LEU 59 N 1.09 2.18 -0.16 2.70 2.96 -1.26 -0.98 118.68 125.21 1z54 s LEU 59 Ca -0.06 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 1z54 s LEU 59 Cb -0.05 -0.94 0.05 0.00 0.50 0.00 0.00 46.19 45.75 1z54 s LEU 59 CO -0.11 0.14 0.39 -0.83 -1.32 0.00 0.00 176.35 174.63 1z54 s GLY 60 N -1.23 -0.30 -0.11 7.98 0.00 -0.88 -4.99 107.32 107.79 1z54 s GLY 60 Ca 0.07 1.38 -0.08 0.00 0.00 0.00 0.00 44.72 46.08 1z54 s GLY 60 CO 0.02 1.46 0.28 1.08 0.00 0.00 0.00 173.10 175.94 1z54 s LEU 61 N 1.09 0.72 -0.17 0.66 1.43 -1.26 -0.90 118.68 120.24 1z54 s LEU 61 Ca -0.07 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1z54 s LEU 61 Cb -0.07 0.91 0.02 0.00 0.03 0.00 0.00 46.19 47.08 1z54 s LEU 61 CO -0.09 -0.12 -0.19 -0.89 0.23 0.00 0.00 176.35 175.29 1z54 s THR 62 N 0.56 1.96 -0.34 5.49 2.01 0.88 -4.99 115.64 121.21 1z54 s THR 62 Ca -0.03 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 1z54 s THR 62 Cb -0.05 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1z54 s THR 62 CO -0.03 0.52 0.27 -0.36 -0.69 0.00 0.00 174.62 174.33 1z54 s PHE 63 N 1.32 3.22 -0.25 4.92 0.08 -1.26 -1.88 117.98 124.13 1z54 s PHE 63 Ca 0.05 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.80 1z54 s PHE 63 Cb -0.13 -2.52 -0.15 0.00 -0.57 0.00 0.00 43.02 39.65 1z54 s PHE 63 CO -0.12 -0.37 -0.14 0.54 -0.10 0.00 0.00 175.22 175.03 1z54 n ARG 64 N 5.17 0.59 -4.00 0.44 5.12 0.01 -5.00 116.66 118.98 1z54 n ARG 64 Ca -0.12 0.35 -0.12 0.00 -1.93 0.00 0.00 57.85 56.03 1z54 n ARG 64 Cb 0.50 -1.58 -0.13 0.00 -1.16 0.00 0.00 32.46 30.09 1z54 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1z54 s ALA 65 N -2.47 0.24 0.63 7.54 0.00 -0.31 -5.03 121.76 122.37 1z54 s ALA 65 Ca -0.35 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 1z54 s ALA 65 Cb 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1z54 s ALA 65 CO 0.54 -0.01 1.04 -1.25 0.00 0.00 0.00 175.76 176.08 1z54 s PRO 66 N -0.66 3.34 0.11 0.00 0.04 -1.26 -4.45 135.00 132.11 1z54 s PRO 66 Ca -0.05 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.02 1z54 s PRO 66 Cb -0.05 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1z54 s PRO 66 CO -0.00 -0.78 -0.00 0.00 0.04 0.00 0.00 177.00 176.25 1z54 s ALA 67 N -2.86 3.26 0.11 8.56 0.00 -1.26 -4.99 121.76 124.57 1z54 s ALA 67 Ca 0.59 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1z54 s ALA 67 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1z54 s ALA 67 CO 0.46 0.65 -0.11 1.03 0.00 0.00 0.00 175.76 177.80 1z54 s ARG 68 N -2.45 0.91 0.25 0.00 0.52 -1.26 -1.71 118.95 115.22 1z54 s ARG 68 Ca 0.26 -1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 1z54 s ARG 68 Cb -0.11 -0.60 -0.10 0.00 0.52 0.00 0.00 34.95 34.66 1z54 s ARG 68 CO 0.18 0.09 1.48 0.12 0.02 0.00 0.00 175.30 177.20 1z54 s PHE 69 N -2.60 2.97 0.00 -0.53 2.19 -1.26 -2.03 117.98 116.71 1z54 s PHE 69 Ca 0.08 0.94 0.00 0.00 0.33 0.00 0.00 56.93 58.28 1z54 s PHE 69 Cb -0.02 -3.88 0.00 0.00 -1.31 0.00 0.00 43.02 37.81 1z54 s PHE 69 CO 0.00 -2.93 0.00 0.41 1.83 0.00 0.00 175.22 174.54 1z54 n GLY 70 N 2.33 0.66 3.82 13.12 0.00 -1.26 -5.08 105.19 118.78 1z54 n GLY 70 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1z54 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1z54 s GLU 71 N -0.57 2.63 -0.10 1.61 2.02 -0.86 -5.01 118.70 118.42 1z54 s GLU 71 Ca 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 54.97 53.66 1z54 s GLU 71 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1z54 s GLU 71 CO 0.00 0.09 -0.23 0.08 0.02 0.00 0.00 175.26 175.23 1z54 s VAL 72 N -2.34 1.96 0.26 2.63 1.01 -1.26 -1.78 120.40 120.88 1z54 s VAL 72 Ca 0.40 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1z54 s VAL 72 Cb -0.05 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1z54 s VAL 72 CO 0.26 0.54 0.22 0.68 0.00 0.00 0.00 175.10 176.79 1z54 s VAL 73 N 0.40 4.38 -0.09 2.92 -7.23 0.26 -4.78 120.40 116.26 1z54 s VAL 73 Ca -0.18 -1.38 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1z54 s VAL 73 Cb -0.18 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1z54 s VAL 73 CO 0.08 -0.33 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.73 1z54 s GLU 74 N -3.87 2.56 -0.27 4.82 2.02 0.19 -0.86 118.70 123.30 1z54 s GLU 74 Ca 0.34 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 1z54 s GLU 74 Cb -0.08 -1.98 0.04 0.00 0.10 0.00 0.00 34.13 32.21 1z54 s GLU 74 CO 0.25 0.13 -0.04 0.08 0.02 0.00 0.00 175.26 175.70 1z54 s VAL 75 N 0.46 2.89 -0.24 2.63 1.01 0.31 0.01 120.40 127.47 1z54 s VAL 75 Ca -0.17 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.49 1z54 s VAL 75 Cb -0.17 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1z54 s VAL 75 CO 0.07 0.08 0.32 -0.13 0.00 0.00 0.00 175.10 175.44 1z54 s ARG 76 N 1.29 4.09 0.08 2.72 0.52 -0.00 -0.52 118.95 127.13 1z54 s ARG 76 Ca -0.02 0.02 0.08 0.00 -0.52 0.00 0.00 55.73 55.29 1z54 s ARG 76 Cb -0.18 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 1z54 s ARG 76 CO -0.03 -0.10 -0.22 0.95 0.02 0.00 0.00 175.30 175.92 1z54 s THR 77 N 1.52 1.82 -0.02 0.02 -4.23 0.18 -1.69 115.64 113.23 1z54 s THR 77 Ca 0.14 -1.44 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 1z54 s THR 77 Cb -0.15 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.10 1z54 s THR 77 CO 0.08 0.10 0.30 0.00 -0.54 0.00 0.00 174.62 174.56 1z54 s ARG 78 N -1.61 0.62 -0.69 3.99 1.70 -1.03 -1.62 118.95 120.31 1z54 s ARG 78 Ca 0.08 -0.14 -0.22 0.00 -0.47 0.00 0.00 55.73 54.98 1z54 s ARG 78 Cb -0.10 0.28 0.07 0.00 -0.57 0.00 0.00 34.95 34.64 1z54 s ARG 78 CO 0.03 -0.16 1.00 -1.17 -1.08 0.00 0.00 175.30 173.92 1z54 s LEU 79 N -1.18 4.38 0.19 -1.89 2.96 -1.26 -1.80 118.68 120.08 1z54 s LEU 79 Ca -0.12 -1.07 0.03 0.00 -0.22 0.00 0.00 54.13 52.74 1z54 s LEU 79 Cb -0.05 -2.43 0.09 0.00 0.50 0.00 0.00 46.19 44.30 1z54 s LEU 79 CO 0.04 -1.43 1.44 0.00 -1.32 0.00 0.00 176.35 175.08 1z54 h ALA 80 N 9.53 0.64 -3.51 5.97 0.00 -1.17 -3.44 119.26 127.28 1z54 h ALA 80 Ca -0.24 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 53.76 1z54 h ALA 80 Cb 1.06 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.52 1z54 h ALA 80 CO 1.18 0.85 -0.73 -1.21 0.00 0.00 0.00 179.25 179.34 1z54 s GLU 81 N -3.41 0.31 -0.11 0.00 2.02 -0.92 -4.97 118.70 111.62 1z54 s GLU 81 Ca -0.03 -0.35 -0.07 0.00 0.02 0.00 0.00 54.97 54.54 1z54 s GLU 81 Cb 0.11 -0.17 0.04 0.00 0.10 0.00 0.00 34.13 34.21 1z54 s GLU 81 CO 0.82 0.04 0.27 -1.17 0.02 0.00 0.00 175.26 175.23 1z54 s LEU 82 N -0.68 0.57 0.27 1.80 2.96 -1.26 -1.60 118.68 120.74 1z54 s LEU 82 Ca -0.05 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1z54 s LEU 82 Cb -0.05 0.87 -0.02 0.00 0.50 0.00 0.00 46.19 47.49 1z54 s LEU 82 CO -0.00 -0.14 0.31 -0.44 -1.32 0.00 0.00 176.35 174.76 1z54 s SER 83 N 0.86 0.61 0.00 3.68 0.01 -0.63 -5.00 113.70 113.22 1z54 s SER 83 Ca -0.06 -1.40 0.16 0.00 1.31 0.00 0.00 55.95 55.96 1z54 s SER 83 Cb -0.07 0.52 0.73 0.00 0.21 0.00 0.00 66.02 67.41 1z54 s SER 83 CO -0.06 -1.05 1.49 -1.54 0.41 0.00 0.00 173.24 172.49 1z54 n SER 84 N -0.83 0.00 0.00 2.44 3.41 -1.26 -3.65 113.62 113.73 1z54 n SER 84 Ca 0.02 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1z54 n SER 84 Cb 0.63 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1z54 n SER 84 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1z54 n ARG 85 N -1.42 2.26 -4.19 4.33 1.74 -1.26 0.28 116.66 118.39 1z54 n ARG 85 Ca 0.05 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.02 1z54 n ARG 85 Cb 0.16 -0.81 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 1z54 n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1z54 s ALA 86 N -1.29 1.09 -0.01 7.54 0.00 -1.24 -3.16 121.76 124.69 1z54 s ALA 86 Ca 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 51.96 50.42 1z54 s ALA 86 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1z54 s ALA 86 CO 0.00 -0.38 0.08 -0.51 0.00 0.00 0.00 175.76 174.95 1z54 s LEU 87 N -3.10 1.75 -0.10 0.00 1.02 -0.59 -1.61 118.68 116.05 1z54 s LEU 87 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 1z54 s LEU 87 Cb 0.07 0.36 0.03 0.00 0.02 0.00 0.00 46.19 46.66 1z54 s LEU 87 CO 0.02 -0.18 -0.05 -0.22 0.02 0.00 0.00 176.35 175.94 1z54 s LEU 88 N -0.65 1.00 -0.07 1.79 2.96 -0.63 0.09 118.68 123.17 1z54 s LEU 88 Ca -0.07 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1z54 s LEU 88 Cb -0.04 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1z54 s LEU 88 CO 0.00 -0.14 0.02 -0.36 -1.32 0.00 0.00 176.35 174.55 1z54 s PHE 89 N 1.79 3.19 0.07 5.38 0.08 -0.20 -0.56 117.98 127.73 1z54 s PHE 89 Ca 0.05 0.20 0.08 0.00 0.12 0.00 0.00 56.93 57.38 1z54 s PHE 89 Cb -0.12 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1z54 s PHE 89 CO -0.07 0.49 -0.23 1.03 -0.10 0.00 0.00 175.22 176.34 1z54 s ARG 90 N -1.09 1.38 0.08 0.44 0.52 -0.74 -1.03 118.95 118.50 1z54 s ARG 90 Ca 0.15 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 1z54 s ARG 90 Cb -0.11 -1.61 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1z54 s ARG 90 CO 0.05 0.40 -0.03 0.71 0.02 0.00 0.00 175.30 176.45 1z54 s TYR 91 N -0.95 0.72 -0.07 -0.53 1.51 0.28 -2.47 117.35 115.85 1z54 s TYR 91 Ca 0.09 -1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 55.10 1z54 s TYR 91 Cb -0.10 -0.46 0.03 0.00 -0.11 0.00 0.00 41.96 41.32 1z54 s TYR 91 CO 0.03 -0.31 -0.01 1.03 -1.11 0.00 0.00 175.55 175.18 1z54 s ARG 92 N -3.91 0.71 -0.27 -0.62 0.52 -0.68 -2.42 118.95 112.28 1z54 s ARG 92 Ca 0.11 0.04 -0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1z54 s ARG 92 Cb 0.07 -0.98 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 1z54 s ARG 92 CO -0.06 -0.26 0.13 0.08 0.02 0.00 0.00 175.30 175.21 1z54 s VAL 93 N 1.73 4.78 0.16 3.52 1.01 0.22 -0.82 120.40 131.00 1z54 s VAL 93 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1z54 s VAL 93 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1z54 s VAL 93 CO -0.04 0.29 0.00 -1.61 0.00 0.00 0.00 175.10 173.73 1z54 s GLU 94 N 1.68 1.05 -0.22 2.72 2.02 0.10 -0.08 118.70 125.98 1z54 s GLU 94 Ca 0.07 -1.49 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 1z54 s GLU 94 Cb -0.16 -0.19 0.07 0.00 0.10 0.00 0.00 34.13 33.96 1z54 s GLU 94 CO 0.07 -0.13 0.09 0.50 0.02 0.00 0.00 175.26 175.80 1z54 s ARG 95 N -3.92 0.31 -1.13 1.61 3.52 -0.05 0.56 118.95 119.85 1z54 s ARG 95 Ca 0.22 -0.37 -0.23 0.00 -0.13 0.00 0.00 55.73 55.23 1z54 s ARG 95 Cb 0.06 -1.76 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 1z54 s ARG 95 CO 0.02 -0.77 0.77 0.39 -0.81 0.00 0.00 175.30 174.90 1z54 n GLU 96 N 5.17 -1.03 -0.03 5.12 1.02 -1.26 -1.80 120.64 127.84 1z54 n GLU 96 Ca -0.07 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1z54 n GLU 96 Cb 0.46 -3.76 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 1z54 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1z54 n GLY 97 N -1.76 2.89 3.77 0.62 0.00 -1.26 -5.01 105.19 104.43 1z54 n GLY 97 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1z54 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z54 s VAL 98 N -2.98 5.41 -0.42 1.61 1.01 -0.75 -5.05 120.40 119.24 1z54 s VAL 98 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 1z54 s VAL 98 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1z54 s VAL 98 CO 0.00 0.48 1.02 -0.22 0.00 0.00 0.00 175.10 176.38 1z54 s LEU 99 N 0.00 3.86 -0.12 3.92 2.96 -1.26 -0.87 118.68 127.17 1z54 s LEU 99 Ca 0.11 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 54.43 1z54 s LEU 99 Cb -0.12 -3.39 -0.26 0.00 0.50 0.00 0.00 46.19 42.92 1z54 s LEU 99 CO 0.00 -1.03 0.43 -0.07 -1.32 0.00 0.00 176.35 174.37 1z54 h LEU 100 N 10.56 0.37 -7.00 -0.68 3.38 -0.71 -3.34 115.31 117.90 1z54 h LEU 100 Ca -0.23 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 56.89 1z54 h LEU 100 Cb 1.07 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 1z54 h LEU 100 CO 1.05 1.73 0.27 0.00 0.09 0.00 0.00 178.44 181.57 1z54 s ALA 101 N -2.51 -1.67 0.03 1.53 0.00 -0.74 -0.81 121.76 117.59 1z54 s ALA 101 Ca -0.22 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1z54 s ALA 101 Cb 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 1z54 s ALA 101 CO 0.75 -0.69 -0.04 -1.83 0.00 0.00 0.00 175.76 173.95 1z54 s GLU 102 N -3.22 0.41 0.00 0.00 -1.05 -0.79 0.73 118.70 114.78 1z54 s GLU 102 Ca 0.00 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1z54 s GLU 102 Cb -0.01 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 1z54 s GLU 102 CO -0.09 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1z54 n GLY 103 N 1.31 0.92 3.70 -3.83 0.00 -1.01 -0.09 105.19 106.19 1z54 n GLY 103 Ca -0.22 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 1z54 n GLY 103 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1z54 s PHE 104 N -3.43 0.17 -0.13 1.61 -0.12 -0.08 -0.55 117.98 115.44 1z54 s PHE 104 Ca 0.00 -0.58 -0.06 0.00 -0.05 0.00 0.00 56.93 56.24 1z54 s PHE 104 Cb 0.00 0.41 0.06 0.00 -0.63 0.00 0.00 43.02 42.85 1z54 s PHE 104 CO 0.00 -1.12 0.30 -0.08 -0.05 0.00 0.00 175.22 174.27 1z54 s THR 105 N -3.86 -0.20 -0.11 -4.49 -1.32 -0.19 -2.08 115.64 103.39 1z54 s THR 105 Ca 0.18 0.18 -0.03 0.00 -1.21 0.00 0.00 61.69 60.81 1z54 s THR 105 Cb -0.03 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1z54 s THR 105 CO 0.09 0.07 0.02 -0.60 -2.21 0.00 0.00 174.62 171.99 1z54 s ARG 106 N 1.74 3.19 0.18 7.08 3.52 -0.15 -1.03 118.95 133.48 1z54 s ARG 106 Ca -0.06 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 1z54 s ARG 106 Cb -0.11 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1z54 s ARG 106 CO -0.10 0.62 -0.14 -1.01 -0.81 0.00 0.00 175.30 173.87 1z54 s HIS 107 N -0.65 1.58 0.41 5.12 3.76 0.11 -0.29 115.29 125.33 1z54 s HIS 107 Ca 0.11 -0.61 0.05 0.00 -0.15 0.00 0.00 55.06 54.46 1z54 s HIS 107 Cb -0.12 -0.76 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 1z54 s HIS 107 CO 0.02 0.27 0.02 -0.51 -0.85 0.00 0.00 174.74 173.69 1z54 s LEU 108 N -3.15 2.60 -0.08 0.89 1.43 -0.81 -1.55 118.68 118.01 1z54 s LEU 108 Ca 0.19 -1.44 0.04 0.00 -1.03 0.00 0.00 54.13 51.89 1z54 s LEU 108 Cb -0.01 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 1z54 s LEU 108 CO 0.05 -0.57 -0.20 0.00 0.23 0.00 0.00 176.35 175.85 1z54 s GLN 110 N -0.00 1.13 -0.06 0.00 -0.21 -0.01 -0.96 119.66 119.55 1z54 s GLN 110 Ca -0.07 -1.16 0.09 0.00 0.02 0.00 0.00 55.36 54.24 1z54 s GLN 110 Cb -0.15 -1.40 0.13 0.00 1.00 0.00 0.00 33.01 32.59 1z54 s GLN 110 CO 0.05 0.33 1.04 0.28 -2.12 0.00 0.00 175.29 174.86 1z54 n VAL 111 N 1.11 0.92 -3.51 1.09 0.31 -1.26 -0.50 118.33 116.49 1z54 n VAL 111 Ca -0.19 -1.09 -0.37 0.00 -0.01 0.00 0.00 64.34 62.68 1z54 n VAL 111 Cb 0.53 0.20 -0.07 0.00 -0.91 0.00 0.00 33.84 33.59 1z54 n VAL 111 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1z54 s GLU 113 N -1.37 4.23 -0.08 5.55 1.03 -1.26 -4.86 118.70 121.94 1z54 s GLU 113 Ca 0.14 0.10 -0.07 0.00 0.03 0.00 0.00 54.97 55.18 1z54 s GLU 113 Cb 0.13 -3.46 0.03 0.00 -0.80 0.00 0.00 34.13 30.03 1z54 s GLU 113 CO 0.01 0.16 0.21 0.50 -1.33 0.00 0.00 175.26 174.82 1z54 s ARG 114 N 0.70 0.23 0.60 -4.83 6.06 -1.26 -5.14 118.95 115.30 1z54 s ARG 114 Ca 0.17 0.35 -0.19 0.00 -2.50 0.00 0.00 55.73 53.55 1z54 s ARG 114 Cb -0.13 0.05 -0.04 0.00 0.06 0.00 0.00 34.95 34.88 1z54 s ARG 114 CO 0.05 -0.07 1.05 0.00 -2.50 0.00 0.00 175.30 173.83 1z54 n ALA 115 N 3.31 0.44 -3.69 6.12 0.00 -1.26 -4.51 120.51 120.92 1z54 n ALA 115 Ca -0.16 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 1z54 n ALA 115 Cb 0.57 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1z54 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1z54 s ALA 116 N -1.46 -1.64 0.64 0.00 0.00 -0.14 -4.69 121.76 114.47 1z54 s ALA 116 Ca 0.76 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 1z54 s ALA 116 Cb -0.42 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1z54 s ALA 116 CO 0.47 -0.95 1.04 1.03 0.00 0.00 0.00 175.76 177.34 1z54 s ARG 117 N -3.34 3.40 0.02 0.00 3.00 -1.26 -4.25 118.95 116.52 1z54 s ARG 117 Ca 0.10 0.84 -0.30 0.00 0.00 0.00 0.00 55.73 56.37 1z54 s ARG 117 Cb -0.02 -2.05 -0.06 0.00 0.00 0.00 0.00 34.95 32.82 1z54 s ARG 117 CO -0.01 -0.73 1.47 0.42 0.00 0.00 0.00 175.30 176.45 1z54 s ILE 118 N -3.08 3.52 0.34 1.52 1.01 0.14 -4.93 121.20 119.71 1z54 s ILE 118 Ca 0.56 0.93 -0.28 0.00 0.00 0.00 0.00 60.65 61.86 1z54 s ILE 118 Cb -0.12 -3.60 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 1z54 s ILE 118 CO 0.52 0.00 1.29 -0.81 0.00 0.00 0.00 174.94 175.95 1z54 n PRO 119 N 5.37 2.12 -0.20 2.79 -0.04 -1.26 -4.63 135.00 139.15 1z54 n PRO 119 Ca 0.14 0.74 -0.05 0.00 -0.04 0.00 0.00 63.50 64.29 1z54 n PRO 119 Cb 0.43 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.51 1z54 n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1z54 n GLU 120 N 0.63 -0.21 -0.28 0.54 4.07 -1.26 -0.87 120.64 123.27 1z54 n GLU 120 Ca 0.05 1.10 0.07 0.00 -0.06 0.00 0.00 57.16 58.32 1z54 n GLU 120 Cb 0.36 -1.62 0.22 0.00 -0.06 0.00 0.00 31.44 30.33 1z54 n GLU 120 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1z54 h ASP 121 N 0.00 0.39 -0.45 4.31 2.03 -2.00 0.15 116.42 120.85 1z54 h ASP 121 Ca 0.08 0.11 -0.13 0.00 -0.73 0.00 0.00 57.03 56.36 1z54 h ASP 121 Cb 0.20 0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.75 1z54 h ASP 121 CO -0.45 0.13 -0.23 0.40 -1.03 0.00 0.00 179.24 178.07 1z54 h ILE 122 N 0.51 1.27 -0.66 4.15 2.04 -1.60 -2.86 117.51 120.35 1z54 h ILE 122 Ca 0.46 -1.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 1z54 h ILE 122 Cb 0.71 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1z54 h ILE 122 CO -0.41 0.47 0.12 0.22 0.00 0.00 0.00 178.15 178.55 1z54 h TYR 123 N 0.78 1.15 -0.56 1.37 5.03 0.21 -1.63 116.97 123.33 1z54 h TYR 123 Ca 0.10 -0.15 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1z54 h TYR 123 Cb 0.80 -0.32 -0.03 0.00 1.55 0.00 0.00 36.73 38.74 1z54 h TYR 123 CO 0.06 0.96 0.36 -0.09 -1.32 0.00 0.00 178.16 178.12 1z54 h ARG 124 N 1.02 0.74 0.18 1.82 9.65 -0.95 0.11 114.38 126.95 1z54 h ARG 124 Ca 0.20 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1z54 h ARG 124 Cb 0.42 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1z54 h ARG 124 CO 0.01 0.50 -0.09 0.00 2.80 0.00 0.00 179.97 183.20 1z54 h ALA 125 N 1.19 -0.24 -0.95 2.80 0.00 -1.30 -2.81 119.26 117.94 1z54 h ALA 125 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1z54 h ALA 125 Cb -0.07 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1z54 h ALA 125 CO -0.04 -0.52 0.59 -0.07 0.00 0.00 0.00 179.25 179.21 1z54 h LEU 126 N -0.47 0.89 -1.53 0.00 3.38 -1.12 -1.31 115.31 115.16 1z54 h LEU 126 Ca -0.02 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1z54 h LEU 126 Cb 0.36 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1z54 h LEU 126 CO 0.04 0.51 0.41 -1.28 0.09 0.00 0.00 178.44 178.21 1z54 h SER 127 N 0.99 0.50 0.90 -0.43 0.87 -0.62 0.85 113.55 116.62 1z54 h SER 127 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1z54 h SER 127 Cb 0.36 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1z54 h SER 127 CO -0.23 0.32 0.00 -0.37 -0.53 0.00 0.00 176.83 176.02 1z54 h VAL 128 N 0.57 0.00 -0.00 2.23 -1.51 -0.98 -2.29 116.25 114.26 1z54 h VAL 128 Ca 0.27 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1z54 h VAL 128 Cb 0.33 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1z54 h VAL 128 CO -0.08 0.00 -0.74 0.18 -1.23 0.00 0.00 177.57 175.70 1z54 n LEU 129 N -2.75 0.78 -4.29 4.19 4.77 0.26 -4.90 117.00 115.05 1z54 n LEU 129 Ca 0.01 -0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.44 1z54 n LEU 129 Cb 0.27 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 1z54 n LEU 129 CO 0.24 0.19 -0.56 -2.28 -1.33 0.00 0.00 177.39 173.66 1z54 s HIS 130 N -2.98 2.17 -0.02 -1.77 2.46 -0.86 -4.56 115.29 109.73 1z54 s HIS 130 Ca 0.10 -0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.25 1z54 s HIS 130 Cb 0.17 -1.37 0.00 0.00 -0.13 0.00 0.00 32.58 31.25 1z54 s HIS 130 CO 0.78 0.02 -0.09 -1.17 -2.47 0.00 0.00 174.74 171.80 1z54 s LEU 131 N -0.79 1.82 0.00 8.88 2.96 -1.26 -4.83 118.68 125.46 1z54 s LEU 131 Ca 0.10 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1z54 s LEU 131 Cb -0.09 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.04 1z54 s LEU 131 CO 0.00 0.07 0.48 0.29 -1.32 0.00 0.00 176.35 175.88