#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 2.10 0.31 2.12 2.12 -1.26 -4.53 118.70 119.56 1z54 s GLU 2 Ca 0.00 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.52 1z54 s GLU 2 Cb 0.00 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 1z54 s GLU 2 CO 0.00 -0.36 0.62 -1.54 -0.54 0.00 0.00 175.26 173.44 1z54 s SER 3 N 1.44 6.52 -0.14 -1.70 1.04 -0.83 -4.88 113.70 115.15 1z54 s SER 3 Ca 0.01 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 1z54 s SER 3 Cb -0.15 -2.22 0.04 0.00 0.10 0.00 0.00 66.02 63.78 1z54 s SER 3 CO -0.09 -0.23 -0.05 -0.69 0.98 0.00 0.00 173.24 173.16 1z54 s VAL 4 N -2.11 0.94 -0.25 5.02 1.01 -1.26 -0.94 120.40 122.82 1z54 s VAL 4 Ca 0.47 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1z54 s VAL 4 Cb -0.11 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1z54 s VAL 4 CO 0.28 0.20 0.02 -0.89 0.00 0.00 0.00 175.10 174.71 1z54 s THR 5 N 1.72 3.83 -0.16 3.92 2.01 -0.52 -4.91 115.64 121.52 1z54 s THR 5 Ca 0.03 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.34 1z54 s THR 5 Cb -0.14 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1z54 s THR 5 CO -0.08 0.31 0.81 -0.13 -0.69 0.00 0.00 174.62 174.85 1z54 s ARG 6 N 1.53 4.30 -0.16 4.92 0.52 -1.26 -0.93 118.95 127.87 1z54 s ARG 6 Ca 0.05 0.98 0.01 0.00 -0.52 0.00 0.00 55.73 56.25 1z54 s ARG 6 Cb -0.15 -3.57 0.02 0.00 0.52 0.00 0.00 34.95 31.77 1z54 s ARG 6 CO 0.00 -0.30 -0.17 0.42 0.02 0.00 0.00 175.30 175.28 1z54 s ILE 7 N 2.04 1.80 -0.22 1.52 1.01 0.28 -4.96 121.20 122.67 1z54 s ILE 7 Ca 0.38 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 1z54 s ILE 7 Cb -0.17 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1z54 s ILE 7 CO 0.13 0.49 0.78 -0.75 0.00 0.00 0.00 174.94 175.59 1z54 s LYS 8 N 1.40 4.21 0.26 2.79 2.20 -1.26 -0.07 119.74 129.26 1z54 s LYS 8 Ca 0.05 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 1z54 s LYS 8 Cb -0.13 -3.62 -0.11 0.00 -1.51 0.00 0.00 37.83 32.46 1z54 s LYS 8 CO -0.12 -0.42 1.56 0.08 -0.36 0.00 0.00 175.35 176.09 1z54 s VAL 9 N 2.51 2.28 0.08 4.02 1.01 -0.81 -5.00 120.40 124.49 1z54 s VAL 9 Ca 0.34 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 1z54 s VAL 9 Cb -0.16 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1z54 s VAL 9 CO 0.09 0.03 0.36 -0.13 0.00 0.00 0.00 175.10 175.45 1z54 s ARG 10 N -0.18 3.67 0.28 2.72 0.52 -1.26 -4.42 118.95 120.28 1z54 s ARG 10 Ca 0.64 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 1z54 s ARG 10 Cb -0.46 -2.98 0.50 0.00 0.52 0.00 0.00 34.95 32.54 1z54 s ARG 10 CO 0.44 0.56 1.87 -0.92 0.02 0.00 0.00 175.30 177.27 1z54 h TYR 11 N 3.54 1.14 0.00 -0.53 3.20 -1.96 0.04 116.97 122.39 1z54 h TYR 11 Ca -0.48 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1z54 h TYR 11 Cb 1.19 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1z54 h TYR 11 CO 0.65 0.53 0.00 0.00 -1.64 0.00 0.00 178.16 177.71 1z54 h ALA 12 N 1.50 1.00 0.00 1.82 0.00 -2.03 -2.63 119.26 118.93 1z54 h ALA 12 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1z54 h ALA 12 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1z54 h ALA 12 CO -0.21 0.00 -0.55 0.39 0.00 0.00 0.00 179.25 178.89 1z54 n GLU 13 N -2.79 0.02 -3.31 0.00 1.02 -0.00 -4.90 120.64 110.69 1z54 n GLU 13 Ca -0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.80 1z54 n GLU 13 Cb 0.14 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.01 4.82 0.00 2.62 -4.23 -0.99 -1.40 115.64 113.45 1z54 s THR 14 Ca 0.10 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1z54 s THR 14 Cb 0.17 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1z54 s THR 14 CO 0.71 -0.04 0.00 -0.90 -0.54 0.00 0.00 174.62 173.85 1z54 n ASP 15 N -0.01 0.97 -0.25 3.99 3.85 0.14 -4.81 116.55 120.43 1z54 n ASP 15 Ca 0.00 -0.55 0.10 0.00 -0.71 0.00 0.00 54.79 53.63 1z54 n ASP 15 Cb 0.52 0.00 0.36 0.00 -1.35 0.00 0.00 41.12 40.65 1z54 n ASP 15 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1z54 h GLN 16 N 0.00 0.72 0.00 0.11 4.20 -1.99 -0.74 115.11 117.41 1z54 h GLN 16 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1z54 h GLN 16 Cb 0.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.62 1z54 h GLN 16 CO 0.00 0.47 0.00 -1.33 -0.67 0.00 0.00 178.83 177.30 1z54 n MET 17 N -4.53 0.89 -1.25 1.46 2.81 -1.26 -4.85 117.12 110.38 1z54 n MET 17 Ca 0.15 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.97 1z54 n MET 17 Cb 0.38 -1.20 -0.03 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.55 0.88 3.37 3.03 0.00 -0.29 -5.02 105.19 107.71 1z54 n GLY 18 Ca 0.09 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.27 1.24 0.04 1.61 -7.23 -1.25 -4.61 120.40 107.93 1z54 s VAL 19 Ca 0.00 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 1z54 s VAL 19 Cb 0.00 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 1z54 s VAL 19 CO 0.00 -0.31 1.68 -0.69 -0.31 0.00 0.00 175.10 175.47 1z54 s VAL 20 N -3.28 3.17 0.41 1.32 1.01 -0.75 0.24 120.40 122.52 1z54 s VAL 20 Ca 0.29 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.51 1z54 s VAL 20 Cb 0.05 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 1z54 s VAL 20 CO 0.10 -0.02 1.30 1.57 0.00 0.00 0.00 175.10 178.05 1z54 n HIS 21 N 6.12 2.24 0.19 5.22 -0.00 -0.49 -4.83 115.22 123.67 1z54 n HIS 21 Ca 0.16 0.50 0.12 0.00 0.46 0.00 0.00 57.72 58.97 1z54 n HIS 21 Cb 0.41 -2.40 0.68 0.00 -0.12 0.00 0.00 29.99 28.56 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 2.20 0.00 0.00 1.57 2.07 -1.92 -1.06 115.15 118.02 1z54 h HIS 22 Ca -0.48 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.01 1z54 h HIS 22 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.26 1z54 h HIS 22 CO 0.49 0.00 -0.14 0.66 -3.07 0.00 0.00 177.93 175.86 1z54 h SER 23 N 0.00 0.00 0.00 3.10 4.64 -1.98 -3.00 113.55 116.32 1z54 h SER 23 Ca 0.07 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1z54 h SER 23 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1z54 h SER 23 CO -0.00 0.14 -0.36 0.58 -0.87 0.00 0.00 176.83 176.32 1z54 h VAL 24 N 0.00 1.29 -0.96 0.95 2.07 -1.54 -3.20 116.25 114.86 1z54 h VAL 24 Ca -0.00 -1.47 0.23 0.00 0.82 0.00 0.00 66.70 66.28 1z54 h VAL 24 Cb 0.54 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1z54 h VAL 24 CO 0.02 0.46 0.64 1.88 0.02 0.00 0.00 177.57 180.59 1z54 h TYR 25 N 0.41 0.54 -0.58 1.57 0.05 -1.63 0.25 116.97 117.58 1z54 h TYR 25 Ca 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1z54 h TYR 25 Cb 0.82 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 1z54 h TYR 25 CO 0.03 0.11 0.23 0.00 -1.05 0.00 0.00 178.16 177.47 1z54 h ALA 26 N 1.60 1.32 -0.20 3.88 0.00 -1.75 0.28 119.26 124.39 1z54 h ALA 26 Ca 0.51 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1z54 h ALA 26 Cb 1.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1z54 h ALA 26 CO -0.20 0.50 -0.35 0.28 0.00 0.00 0.00 179.25 179.48 1z54 h VAL 27 N 0.82 1.29 -0.22 0.00 2.07 -0.69 -1.68 116.25 117.84 1z54 h VAL 27 Ca 0.20 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 1z54 h VAL 27 Cb 0.16 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1z54 h VAL 27 CO -0.02 0.45 -0.01 1.88 0.02 0.00 0.00 177.57 179.89 1z54 h TYR 28 N 0.36 0.43 -0.31 1.57 0.99 -0.66 -1.43 116.97 117.92 1z54 h TYR 28 Ca 0.04 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1z54 h TYR 28 Cb 0.79 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 38.39 1z54 h TYR 28 CO 0.02 0.59 0.06 -0.07 -0.00 0.00 0.00 178.16 178.77 1z54 h LEU 29 N 0.15 0.40 -0.23 3.88 3.38 -0.84 -1.25 115.31 120.82 1z54 h LEU 29 Ca 0.06 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1z54 h LEU 29 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1z54 h LEU 29 CO 0.01 0.42 -0.12 -0.08 0.09 0.00 0.00 178.44 178.77 1z54 h GLU 30 N 0.44 0.48 -0.59 1.13 4.81 -1.11 -0.97 114.58 118.76 1z54 h GLU 30 Ca 0.10 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1z54 h GLU 30 Cb 0.19 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1z54 h GLU 30 CO -0.00 0.76 0.35 0.00 -0.73 0.00 0.00 179.01 179.38 1z54 h ALA 31 N 0.71 0.76 -0.49 2.92 0.00 -0.78 -1.09 119.26 121.28 1z54 h ALA 31 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1z54 h ALA 31 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1z54 h ALA 31 CO 0.03 0.25 0.07 0.00 0.00 0.00 0.00 179.25 179.61 1z54 h ALA 32 N 1.17 1.21 -0.31 0.00 0.00 -1.20 -1.83 119.26 118.30 1z54 h ALA 32 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1z54 h ALA 32 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1z54 h ALA 32 CO -0.04 0.54 0.07 -0.09 0.00 0.00 0.00 179.25 179.73 1z54 h ARG 33 N 0.74 0.49 -0.24 0.00 2.43 -0.68 -1.03 114.38 116.09 1z54 h ARG 33 Ca 0.16 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1z54 h ARG 33 Cb 0.34 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1z54 h ARG 33 CO 0.01 0.56 -0.05 0.28 -1.51 0.00 0.00 179.97 179.26 1z54 h VAL 34 N 0.33 0.78 -0.50 0.20 2.07 -0.85 -0.16 116.25 118.12 1z54 h VAL 34 Ca 0.10 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1z54 h VAL 34 Cb 0.29 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1z54 h VAL 34 CO 0.00 0.00 0.17 0.44 0.02 0.00 0.00 177.57 178.21 1z54 h ASP 35 N 0.01 0.17 -0.21 0.57 3.45 -1.11 -0.62 116.42 118.68 1z54 h ASP 35 Ca 0.11 0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.67 1z54 h ASP 35 Cb 0.17 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 38.95 1z54 h ASP 35 CO -0.23 0.13 0.02 0.15 -1.57 0.00 0.00 179.24 177.73 1z54 h PHE 36 N 0.35 0.02 -0.70 4.55 3.04 -0.34 -1.36 116.94 122.49 1z54 h PHE 36 Ca 0.24 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 1z54 h PHE 36 Cb 0.26 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.75 1z54 h PHE 36 CO -0.16 -0.01 0.43 -0.07 -2.02 0.00 0.00 178.31 176.48 1z54 h LEU 37 N 0.09 0.82 0.16 0.59 3.38 -0.47 -1.42 115.31 118.46 1z54 h LEU 37 Ca 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1z54 h LEU 37 Cb 0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1z54 h LEU 37 CO -0.15 0.62 -0.10 -0.08 0.09 0.00 0.00 178.44 178.83 1z54 h GLU 38 N 0.96 -0.24 0.00 1.13 4.57 -0.34 0.16 114.58 120.83 1z54 h GLU 38 Ca 0.25 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1z54 h GLU 38 Cb -0.06 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1z54 h GLU 38 CO -0.05 -0.16 0.00 0.00 -1.18 0.00 0.00 179.01 177.62 1z54 h ARG 39 N -0.25 0.00 -0.46 1.92 -0.00 -0.88 -1.05 114.38 113.67 1z54 h ARG 39 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1z54 h ARG 39 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.18 1z54 h ARG 39 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.99 1z54 n ALA 40 N -1.85 2.55 -1.76 0.04 0.00 -0.56 -4.87 120.51 114.06 1z54 n ALA 40 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 53.44 52.59 1z54 n ALA 40 Cb 0.16 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 1.04 0.52 2.26 0.00 0.00 -0.40 -4.89 105.19 103.72 1z54 n GLY 41 Ca 0.14 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.25 1.05 -4.68 0.99 4.77 0.46 -5.02 117.00 113.32 1z54 n LEU 42 Ca -0.11 -4.94 -0.48 0.00 -0.03 0.00 0.00 56.01 50.45 1z54 n LEU 42 Cb 0.46 0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.96 1z54 n LEU 42 CO 0.14 2.16 1.48 -0.81 -1.33 0.00 0.00 177.39 179.04 1z54 n PRO 43 N 0.86 2.19 -0.20 3.23 -0.04 -1.25 -3.96 135.00 135.83 1z54 n PRO 43 Ca 0.24 0.80 0.12 0.00 -0.04 0.00 0.00 63.50 64.62 1z54 n PRO 43 Cb 0.55 -2.65 0.42 0.00 -0.04 0.00 0.00 33.50 31.78 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 9.12 0.67 -0.18 0.54 3.20 -1.87 -0.58 116.97 127.87 1z54 h TYR 44 Ca -0.48 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.37 1z54 h TYR 44 Cb 1.27 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1z54 h TYR 44 CO 0.87 0.28 -0.05 1.12 -1.64 0.00 0.00 178.16 178.75 1z54 h HIS 45 N 0.60 0.26 0.04 -3.82 2.07 -1.98 0.19 115.15 112.51 1z54 h HIS 45 Ca 0.38 -0.02 -0.23 0.00 -2.85 0.00 0.00 60.37 57.65 1z54 h HIS 45 Cb 0.65 -0.08 -0.00 0.00 2.57 0.00 0.00 27.41 30.54 1z54 h HIS 45 CO -0.00 0.32 -1.01 0.00 -3.07 0.00 0.00 177.93 174.17 1z54 h ARG 46 N 0.25 0.28 -0.20 5.12 2.47 -1.50 -1.69 114.38 119.11 1z54 h ARG 46 Ca 0.06 -0.35 -0.04 0.00 -1.26 0.00 0.00 59.98 58.39 1z54 h ARG 46 Cb 0.26 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1z54 h ARG 46 CO 0.01 1.08 -0.04 0.28 0.56 0.00 0.00 179.97 181.86 1z54 h VAL 47 N 0.13 1.28 -0.76 2.04 2.07 -0.58 -2.25 116.25 118.19 1z54 h VAL 47 Ca -0.08 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1z54 h VAL 47 Cb 1.68 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 1z54 h VAL 47 CO 0.16 0.31 0.31 -0.08 0.02 0.00 0.00 177.57 178.29 1z54 h GLU 48 N 0.10 1.13 -0.00 1.57 4.81 -0.56 -0.89 114.58 120.73 1z54 h GLU 48 Ca 0.05 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1z54 h GLU 48 Cb 0.48 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1z54 h GLU 48 CO 0.02 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.21 1z54 h ALA 49 N 1.16 1.49 -0.00 2.92 0.00 -1.13 0.39 119.26 124.09 1z54 h ALA 49 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1z54 h ALA 49 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1z54 h ALA 49 CO -0.02 -0.00 -0.06 -2.13 0.00 0.00 0.00 179.25 177.04 1z54 n ARG 50 N -3.79 0.19 -0.15 0.00 0.63 -0.39 -4.88 116.66 108.28 1z54 n ARG 50 Ca -0.03 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1z54 n ARG 50 Cb 0.08 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.49 1z54 n ARG 50 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1z54 n GLY 51 N 1.42 0.77 3.80 5.14 0.00 0.14 -4.90 105.19 111.54 1z54 n GLY 51 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.13 5.32 0.10 1.61 1.01 -0.89 -0.23 120.40 125.18 1z54 s VAL 52 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1z54 s VAL 52 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1z54 s VAL 52 CO 0.00 0.50 -0.12 -0.36 0.00 0.00 0.00 175.10 175.12 1z54 s PHE 53 N -0.32 1.19 -0.54 5.22 0.08 0.88 -3.02 117.98 121.48 1z54 s PHE 53 Ca 0.17 -0.57 0.07 0.00 0.12 0.00 0.00 56.93 56.72 1z54 s PHE 53 Cb -0.13 -0.65 0.29 0.00 -0.57 0.00 0.00 43.02 41.96 1z54 s PHE 53 CO 0.05 0.06 0.75 1.19 -0.10 0.00 0.00 175.22 177.17 1z54 n PHE 54 N 0.76 2.44 -1.80 0.36 3.72 -1.26 -0.78 117.46 120.89 1z54 n PHE 54 Ca -0.17 -3.95 -0.38 0.00 -0.05 0.00 0.00 57.45 52.90 1z54 n PHE 54 Cb 0.56 -0.48 0.05 0.00 -0.94 0.00 0.00 39.48 38.67 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 -2.44 2.99 -0.18 -1.08 0.04 -1.23 -4.75 135.00 128.34 1z54 s PRO 55 Ca 0.41 2.15 -0.25 0.00 0.04 0.00 0.00 61.00 63.35 1z54 s PRO 55 Cb 0.21 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1z54 s PRO 55 CO -0.07 -1.28 0.82 0.08 0.04 0.00 0.00 177.00 176.59 1z54 s VAL 56 N -1.35 4.88 -0.07 -0.36 1.01 -1.26 -2.33 120.40 120.92 1z54 s VAL 56 Ca 0.75 1.60 0.18 0.00 0.00 0.00 0.00 61.98 64.50 1z54 s VAL 56 Cb -0.39 -4.12 -0.27 0.00 0.00 0.00 0.00 36.38 31.60 1z54 s VAL 56 CO 0.44 0.01 0.31 1.33 0.00 0.00 0.00 175.10 177.20 1z54 n VAL 57 N 4.83 0.33 -3.74 2.92 0.24 0.16 -4.98 118.33 118.10 1z54 n VAL 57 Ca 0.04 -0.51 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 1z54 n VAL 57 Cb 0.49 -0.10 -0.10 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.06 0.51 0.01 7.34 2.12 -0.97 -4.97 118.70 119.68 1z54 s GLU 58 Ca -0.07 0.41 0.04 0.00 0.36 0.00 0.00 54.97 55.70 1z54 s GLU 58 Cb 0.10 0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.72 1z54 s GLU 58 CO 0.76 -0.08 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.11 1z54 s LEU 59 N -0.09 2.08 -0.10 2.70 2.96 -1.26 0.12 118.68 125.08 1z54 s LEU 59 Ca -0.03 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1z54 s LEU 59 Cb -0.03 -0.55 0.05 0.00 0.50 0.00 0.00 46.19 46.16 1z54 s LEU 59 CO 0.01 0.09 0.23 -0.83 -1.32 0.00 0.00 176.35 174.53 1z54 s GLY 60 N -0.57 -0.11 -0.01 7.98 0.00 -0.37 -4.98 107.32 109.25 1z54 s GLY 60 Ca 0.03 0.93 -0.01 0.00 0.00 0.00 0.00 44.72 45.67 1z54 s GLY 60 CO 0.00 1.36 0.03 1.08 0.00 0.00 0.00 173.10 175.57 1z54 s LEU 61 N 1.49 1.80 -0.11 0.66 1.43 -1.26 -0.38 118.68 122.30 1z54 s LEU 61 Ca -0.07 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1z54 s LEU 61 Cb -0.11 0.10 0.01 0.00 0.03 0.00 0.00 46.19 46.22 1z54 s LEU 61 CO -0.08 -0.02 -0.19 -0.89 0.23 0.00 0.00 176.35 175.39 1z54 s THR 62 N 0.12 1.78 -0.29 5.49 2.01 0.08 -5.00 115.64 119.82 1z54 s THR 62 Ca -0.01 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 1z54 s THR 62 Cb -0.01 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1z54 s THR 62 CO -0.00 0.50 0.08 -0.36 -0.69 0.00 0.00 174.62 174.15 1z54 s PHE 63 N 0.71 3.14 -0.22 4.92 0.08 -1.26 -1.88 117.98 123.47 1z54 s PHE 63 Ca -0.11 -0.93 0.13 0.00 0.12 0.00 0.00 56.93 56.14 1z54 s PHE 63 Cb -0.16 -2.26 -0.23 0.00 -0.57 0.00 0.00 43.02 39.81 1z54 s PHE 63 CO 0.02 -0.56 -0.02 0.54 -0.10 0.00 0.00 175.22 175.10 1z54 n ARG 64 N 4.87 0.68 -3.69 0.44 1.74 0.73 -5.00 116.66 116.43 1z54 n ARG 64 Ca -0.15 0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.84 1z54 n ARG 64 Cb 0.48 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1z54 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1z54 s ALA 65 N -2.50 -1.28 0.75 7.54 0.00 -0.79 -5.03 121.76 120.45 1z54 s ALA 65 Ca -0.18 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 1z54 s ALA 65 Cb 0.07 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1z54 s ALA 65 CO 0.76 -0.25 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 1z54 s PRO 66 N 0.10 2.43 0.16 0.00 0.04 -1.26 -4.60 135.00 131.87 1z54 s PRO 66 Ca -0.01 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.28 1z54 s PRO 66 Cb -0.04 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1z54 s PRO 66 CO 0.01 -1.51 -0.05 0.00 0.04 0.00 0.00 177.00 175.49 1z54 s ALA 67 N -2.84 3.08 0.08 8.56 0.00 -1.26 -5.02 121.76 124.36 1z54 s ALA 67 Ca 0.62 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1z54 s ALA 67 Cb -0.17 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1z54 s ALA 67 CO 0.54 0.53 -0.06 1.03 0.00 0.00 0.00 175.76 177.79 1z54 s ARG 68 N -2.71 0.76 0.29 0.00 0.52 -1.26 -1.80 118.95 114.75 1z54 s ARG 68 Ca 0.25 -1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.89 1z54 s ARG 68 Cb -0.10 -0.12 -0.11 0.00 0.52 0.00 0.00 34.95 35.15 1z54 s ARG 68 CO 0.16 -0.03 1.58 0.12 0.02 0.00 0.00 175.30 177.15 1z54 s PHE 69 N -3.54 2.77 0.00 -0.53 2.19 -1.26 -1.51 117.98 116.08 1z54 s PHE 69 Ca 0.09 0.82 0.00 0.00 0.33 0.00 0.00 56.93 58.17 1z54 s PHE 69 Cb 0.05 -4.05 0.00 0.00 -1.31 0.00 0.00 43.02 37.71 1z54 s PHE 69 CO -0.06 -3.49 0.00 0.41 1.83 0.00 0.00 175.22 173.92 1z54 n GLY 70 N 2.08 2.31 3.97 13.12 0.00 -1.26 -5.07 105.19 120.34 1z54 n GLY 70 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.67 3.24 -0.08 1.61 2.02 -0.57 -4.99 118.70 119.27 1z54 s GLU 71 Ca 0.00 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.31 1z54 s GLU 71 Cb 0.00 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1z54 s GLU 71 CO 0.00 0.08 -0.20 0.08 0.02 0.00 0.00 175.26 175.25 1z54 s VAL 72 N -2.24 1.69 0.23 2.63 1.01 -1.26 -1.92 120.40 120.53 1z54 s VAL 72 Ca 0.42 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1z54 s VAL 72 Cb -0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1z54 s VAL 72 CO 0.33 0.48 -0.10 0.68 0.00 0.00 0.00 175.10 176.48 1z54 s VAL 73 N 0.35 3.03 -0.09 2.92 -7.23 0.90 -4.75 120.40 115.53 1z54 s VAL 73 Ca -0.14 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1z54 s VAL 73 Cb -0.16 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1z54 s VAL 73 CO 0.06 -0.25 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.78 1z54 s GLU 74 N -3.21 2.92 -0.29 4.82 2.02 0.33 0.10 118.70 125.38 1z54 s GLU 74 Ca 0.27 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.44 1z54 s GLU 74 Cb -0.07 -2.35 0.05 0.00 0.10 0.00 0.00 34.13 31.86 1z54 s GLU 74 CO 0.16 0.31 -0.02 0.08 0.02 0.00 0.00 175.26 175.81 1z54 s VAL 75 N 0.05 2.81 -0.16 2.63 1.01 -0.10 -0.38 120.40 126.26 1z54 s VAL 75 Ca -0.08 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.24 1z54 s VAL 75 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1z54 s VAL 75 CO 0.05 -0.11 0.52 -0.13 0.00 0.00 0.00 175.10 175.44 1z54 s ARG 76 N 1.21 4.27 -0.03 2.72 0.52 -0.11 -1.43 118.95 126.10 1z54 s ARG 76 Ca -0.06 0.47 0.07 0.00 -0.52 0.00 0.00 55.73 55.70 1z54 s ARG 76 Cb -0.20 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 1z54 s ARG 76 CO -0.02 -0.02 -0.25 0.95 0.02 0.00 0.00 175.30 175.99 1z54 s THR 77 N 1.19 1.97 0.07 0.02 -4.23 -0.12 -1.71 115.64 112.84 1z54 s THR 77 Ca 0.26 -1.05 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1z54 s THR 77 Cb -0.15 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 1z54 s THR 77 CO 0.10 0.56 -0.13 -0.13 -0.54 0.00 0.00 174.62 174.48 1z54 s ARG 78 N -0.47 0.78 -0.61 3.99 0.52 -0.71 -1.97 118.95 120.48 1z54 s ARG 78 Ca 0.06 -0.95 -0.20 0.00 -0.52 0.00 0.00 55.73 54.11 1z54 s ARG 78 Cb -0.11 -0.72 0.09 0.00 0.52 0.00 0.00 34.95 34.73 1z54 s ARG 78 CO 0.00 0.15 0.80 -1.17 0.02 0.00 0.00 175.30 175.11 1z54 s LEU 79 N -1.81 4.98 0.04 2.53 2.96 -1.26 -1.56 118.68 124.56 1z54 s LEU 79 Ca -0.02 -1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 52.47 1z54 s LEU 79 Cb -0.09 -2.36 -0.18 0.00 0.50 0.00 0.00 46.19 44.06 1z54 s LEU 79 CO 0.02 -1.23 1.22 0.00 -1.32 0.00 0.00 176.35 175.04 1z54 h ALA 80 N 9.33 0.19 -3.53 5.97 0.00 -0.54 -3.47 119.26 127.22 1z54 h ALA 80 Ca -0.29 -0.50 -0.26 0.00 0.00 0.00 0.00 54.91 53.86 1z54 h ALA 80 Cb 1.08 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.61 1z54 h ALA 80 CO 1.13 0.37 -0.73 -1.21 0.00 0.00 0.00 179.25 178.81 1z54 s GLU 81 N -3.67 0.31 -0.10 0.00 2.02 -0.73 -4.95 118.70 111.58 1z54 s GLU 81 Ca -0.13 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.49 1z54 s GLU 81 Cb 0.05 -0.18 0.05 0.00 0.10 0.00 0.00 34.13 34.16 1z54 s GLU 81 CO 0.82 0.04 0.15 -1.17 0.02 0.00 0.00 175.26 175.12 1z54 s LEU 82 N -0.65 -0.03 0.45 1.80 2.96 -1.26 -0.04 118.68 121.92 1z54 s LEU 82 Ca -0.04 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1z54 s LEU 82 Cb -0.05 0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.80 1z54 s LEU 82 CO -0.00 -0.26 0.02 -0.94 -1.32 0.00 0.00 176.35 173.85 1z54 s SER 83 N 2.27 3.80 0.53 3.68 1.04 0.92 -5.00 113.70 120.95 1z54 s SER 83 Ca 0.04 -1.54 0.24 0.00 0.48 0.00 0.00 55.95 55.17 1z54 s SER 83 Cb -0.13 0.15 1.49 0.00 0.10 0.00 0.00 66.02 67.64 1z54 s SER 83 CO -0.06 -0.70 2.14 0.77 0.98 0.00 0.00 173.24 176.37 1z54 h SER 84 N 1.59 0.00 0.00 7.02 4.64 -2.01 -3.07 113.55 121.72 1z54 h SER 84 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1z54 h SER 84 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1z54 h SER 84 CO 0.75 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 177.32 1z54 n ARG 85 N -3.98 2.09 -3.66 4.77 1.74 -1.26 -0.45 116.66 115.92 1z54 n ARG 85 Ca -0.03 -1.23 -0.10 0.00 -0.77 0.00 0.00 57.85 55.73 1z54 n ARG 85 Cb 0.16 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.74 -1.15 -0.02 7.54 0.00 -1.16 -3.54 121.76 122.69 1z54 s ALA 86 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 1z54 s ALA 86 Cb 0.00 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1z54 s ALA 86 CO 0.00 -0.81 0.19 -0.48 0.00 0.00 0.00 175.76 174.66 1z54 s LEU 87 N -2.84 1.32 -0.12 0.00 2.34 -0.87 -0.06 118.68 118.45 1z54 s LEU 87 Ca 0.07 0.02 0.00 0.00 0.06 0.00 0.00 54.13 54.28 1z54 s LEU 87 Cb -0.01 0.80 0.02 0.00 -0.56 0.00 0.00 46.19 46.44 1z54 s LEU 87 CO -0.05 -0.31 -0.11 -0.22 -1.06 0.00 0.00 176.35 174.60 1z54 s LEU 88 N -0.97 1.44 -0.02 1.48 2.96 0.95 -1.08 118.68 123.44 1z54 s LEU 88 Ca -0.11 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1z54 s LEU 88 Cb -0.06 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 1z54 s LEU 88 CO 0.02 -0.08 0.09 -0.36 -1.32 0.00 0.00 176.35 174.70 1z54 s PHE 89 N 1.52 3.34 -0.02 5.38 0.08 -0.61 0.24 117.98 127.91 1z54 s PHE 89 Ca 0.03 0.25 0.07 0.00 0.12 0.00 0.00 56.93 57.40 1z54 s PHE 89 Cb -0.13 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1z54 s PHE 89 CO -0.08 0.57 -0.23 1.03 -0.10 0.00 0.00 175.22 176.41 1z54 s ARG 90 N -1.62 1.93 0.12 0.44 0.52 -0.60 -1.82 118.95 117.91 1z54 s ARG 90 Ca 0.22 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 1z54 s ARG 90 Cb -0.12 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 1z54 s ARG 90 CO 0.13 0.47 -0.11 0.71 0.02 0.00 0.00 175.30 176.52 1z54 s TYR 91 N -0.48 1.21 -0.08 -0.53 1.51 0.28 -1.74 117.35 117.52 1z54 s TYR 91 Ca 0.07 -0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1z54 s TYR 91 Cb -0.09 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1z54 s TYR 91 CO -0.00 0.06 -0.03 1.03 -1.11 0.00 0.00 175.55 175.50 1z54 s ARG 92 N -2.95 0.94 -0.32 -0.62 0.52 -0.69 -2.05 118.95 113.77 1z54 s ARG 92 Ca 0.09 -0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 55.16 1z54 s ARG 92 Cb -0.02 -1.12 0.01 0.00 0.52 0.00 0.00 34.95 34.33 1z54 s ARG 92 CO 0.01 -0.23 0.15 0.08 0.02 0.00 0.00 175.30 175.32 1z54 s VAL 93 N 1.63 4.40 0.20 3.52 1.01 0.11 -0.93 120.40 130.33 1z54 s VAL 93 Ca 0.01 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1z54 s VAL 93 Cb -0.13 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1z54 s VAL 93 CO -0.05 -0.02 -0.15 -1.61 0.00 0.00 0.00 175.10 173.28 1z54 s GLU 94 N 1.56 1.32 -0.19 2.72 2.02 0.49 -0.22 118.70 126.40 1z54 s GLU 94 Ca 0.03 -1.55 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 1z54 s GLU 94 Cb -0.18 -1.17 0.06 0.00 0.10 0.00 0.00 34.13 32.95 1z54 s GLU 94 CO 0.05 0.20 0.04 0.50 0.02 0.00 0.00 175.26 176.07 1z54 s ARG 95 N -3.46 0.62 -1.32 1.61 3.52 -0.25 -0.51 118.95 119.15 1z54 s ARG 95 Ca 0.21 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1z54 s ARG 95 Cb -0.02 -2.10 0.01 0.00 -1.56 0.00 0.00 34.95 31.28 1z54 s ARG 95 CO 0.07 -0.65 0.85 0.39 -0.81 0.00 0.00 175.30 175.16 1z54 n GLU 96 N 5.06 -5.69 -0.68 5.12 1.02 -1.26 -1.40 120.64 122.82 1z54 n GLU 96 Ca -0.09 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1z54 n GLU 96 Cb 0.47 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 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 -1.52 1.11 3.60 0.62 0.00 -1.26 -4.98 105.19 102.76 1z54 n GLY 97 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.10 5.12 -0.31 1.61 1.01 -0.49 -5.02 120.40 119.22 1z54 s VAL 98 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1z54 s VAL 98 Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1z54 s VAL 98 CO 0.00 0.08 1.60 -0.22 0.00 0.00 0.00 175.10 176.56 1z54 s LEU 99 N 2.18 3.68 -0.14 3.92 2.96 -1.26 -1.09 118.68 128.93 1z54 s LEU 99 Ca 0.17 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.39 1z54 s LEU 99 Cb -0.16 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 1z54 s LEU 99 CO 0.10 -1.44 0.29 0.18 -1.32 0.00 0.00 176.35 174.16 1z54 n LEU 100 N 9.09 1.97 -3.44 -0.68 4.77 0.70 -4.47 117.00 124.93 1z54 n LEU 100 Ca 0.19 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1z54 n LEU 100 Cb 0.46 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1z54 n LEU 100 CO 0.67 0.72 0.46 0.00 -1.33 0.00 0.00 177.39 177.91 1z54 s ALA 101 N -2.55 -1.65 0.03 -1.18 0.00 -0.91 -0.19 121.76 115.30 1z54 s ALA 101 Ca -0.19 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1z54 s ALA 101 Cb 0.07 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1z54 s ALA 101 CO 0.76 -0.73 0.23 -1.83 0.00 0.00 0.00 175.76 174.19 1z54 s GLU 102 N -3.48 0.71 0.00 0.00 -1.05 -0.79 0.04 118.70 114.13 1z54 s GLU 102 Ca 0.01 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 1z54 s GLU 102 Cb -0.01 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1z54 s GLU 102 CO -0.11 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.30 1z54 n GLY 103 N 0.78 0.91 3.39 -3.83 0.00 -0.87 -0.74 105.19 104.83 1z54 n GLY 103 Ca -0.19 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.42 -0.07 -0.03 1.61 -0.12 0.49 -0.56 117.98 115.89 1z54 s PHE 104 Ca 0.00 -0.27 -0.00 0.00 -0.05 0.00 0.00 56.93 56.61 1z54 s PHE 104 Cb 0.00 0.25 0.03 0.00 -0.63 0.00 0.00 43.02 42.67 1z54 s PHE 104 CO 0.00 -0.78 0.02 0.95 -0.05 0.00 0.00 175.22 175.36 1z54 s THR 105 N -3.86 0.07 -0.15 -4.49 -4.23 -0.76 -1.23 115.64 100.99 1z54 s THR 105 Ca 0.07 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 1z54 s THR 105 Cb 0.01 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 1z54 s THR 105 CO -0.07 0.13 0.04 -0.60 -0.54 0.00 0.00 174.62 173.58 1z54 s ARG 106 N 1.18 3.66 0.17 3.99 3.52 0.12 -1.57 118.95 130.02 1z54 s ARG 106 Ca -0.08 -0.37 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 1z54 s ARG 106 Cb -0.13 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1z54 s ARG 106 CO -0.02 0.41 -0.14 -1.01 -0.81 0.00 0.00 175.30 173.72 1z54 s HIS 107 N -0.04 1.58 0.46 5.12 3.76 -0.24 0.40 115.29 126.34 1z54 s HIS 107 Ca 0.05 -0.58 0.06 0.00 -0.15 0.00 0.00 55.06 54.44 1z54 s HIS 107 Cb -0.12 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 1z54 s HIS 107 CO 0.01 0.26 0.19 -1.17 -0.85 0.00 0.00 174.74 173.18 1z54 s LEU 108 N -2.98 2.88 -0.20 0.89 2.96 -0.99 -2.05 118.68 119.19 1z54 s LEU 108 Ca 0.17 -1.23 0.01 0.00 -0.22 0.00 0.00 54.13 52.86 1z54 s LEU 108 Cb -0.02 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.46 1z54 s LEU 108 CO 0.05 -0.71 -0.17 0.00 -1.32 0.00 0.00 176.35 174.20 1z54 s GLN 110 N 1.26 3.86 -0.23 0.00 0.74 0.04 -0.28 119.66 125.05 1z54 s GLN 110 Ca 0.02 -0.39 -0.07 0.00 0.05 0.00 0.00 55.36 54.98 1z54 s GLN 110 Cb -0.14 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1z54 s GLN 110 CO -0.11 0.05 0.06 0.08 -0.55 0.00 0.00 175.29 174.82 1z54 s VAL 111 N 0.99 4.31 0.00 1.34 1.01 0.99 -0.09 120.40 128.95 1z54 s VAL 111 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1z54 s VAL 111 Cb -0.14 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1z54 s VAL 111 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1z54 n GLY 112 N 4.59 2.16 0.43 4.51 0.00 0.68 -1.44 105.19 116.11 1z54 n GLY 112 Ca -0.16 0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.93 1z54 n GLY 112 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z54 n GLU 113 N 4.63 1.07 -4.28 1.61 4.71 -1.26 -4.89 120.64 122.23 1z54 n GLU 113 Ca 0.00 -2.52 -0.18 0.00 -0.01 0.00 0.00 57.16 54.45 1z54 n GLU 113 Cb 0.00 -1.25 -0.13 0.00 -1.01 0.00 0.00 31.44 29.04 1z54 n GLU 113 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1z54 s ARG 114 N -2.31 0.75 -0.06 3.49 3.52 -0.52 -5.11 118.95 118.70 1z54 s ARG 114 Ca 0.29 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 1z54 s ARG 114 Cb 0.28 -0.70 -0.05 0.00 -1.56 0.00 0.00 34.95 32.92 1z54 s ARG 114 CO -0.02 0.17 1.54 0.00 -0.81 0.00 0.00 175.30 176.18 1z54 s ALA 115 N -0.71 3.63 0.25 6.12 0.00 -1.26 -0.01 121.76 129.78 1z54 s ALA 115 Ca -0.00 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1z54 s ALA 115 Cb -0.07 -3.70 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 1z54 s ALA 115 CO 0.01 -1.27 0.30 0.00 0.00 0.00 0.00 175.76 174.80 1z54 n ALA 116 N 6.71 0.03 -1.66 0.00 0.00 0.61 -4.88 120.51 121.33 1z54 n ALA 116 Ca 0.16 -1.28 -0.33 0.00 0.00 0.00 0.00 53.44 51.99 1z54 n ALA 116 Cb 0.43 1.03 0.01 0.00 0.00 0.00 0.00 19.45 20.93 1z54 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1z54 s ARG 117 N -2.73 3.28 0.04 0.00 3.00 -1.26 -4.10 118.95 117.17 1z54 s ARG 117 Ca 0.24 1.20 -0.30 0.00 0.00 0.00 0.00 55.73 56.87 1z54 s ARG 117 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 34.95 32.86 1z54 s ARG 117 CO 0.17 -0.84 1.43 0.42 0.00 0.00 0.00 175.30 176.48 1z54 s ILE 118 N -2.47 3.53 0.16 1.52 1.01 0.41 -4.88 121.20 120.48 1z54 s ILE 118 Ca 0.64 0.98 -0.34 0.00 0.00 0.00 0.00 60.65 61.92 1z54 s ILE 118 Cb -0.16 -3.63 -0.15 0.00 0.01 0.00 0.00 42.46 38.53 1z54 s ILE 118 CO 0.38 0.02 1.30 -0.81 0.00 0.00 0.00 174.94 175.82 1z54 n PRO 119 N 5.07 1.39 -0.37 2.79 -0.04 -1.26 -4.54 135.00 138.04 1z54 n PRO 119 Ca 0.13 0.50 -0.05 0.00 -0.04 0.00 0.00 63.50 64.04 1z54 n PRO 119 Cb 0.43 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.78 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 2.20 -0.30 -0.24 0.54 4.07 -1.26 -0.48 120.64 125.17 1z54 n GLU 120 Ca 0.16 1.42 0.02 0.00 -0.06 0.00 0.00 57.16 58.70 1z54 n GLU 120 Cb 0.24 -2.10 0.14 0.00 -0.06 0.00 0.00 31.44 29.67 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 0.37 -0.31 4.31 2.03 -2.00 0.20 116.42 121.02 1z54 h ASP 121 Ca 0.25 0.08 -0.17 0.00 -0.73 0.00 0.00 57.03 56.46 1z54 h ASP 121 Cb 0.48 0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1z54 h ASP 121 CO -0.90 0.20 -0.47 0.40 -1.03 0.00 0.00 179.24 177.43 1z54 h ILE 122 N 0.52 1.28 0.50 4.15 2.04 -1.36 -2.31 117.51 122.32 1z54 h ILE 122 Ca 0.36 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1z54 h ILE 122 Cb 0.43 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1z54 h ILE 122 CO -0.31 0.54 -0.25 0.22 0.00 0.00 0.00 178.15 178.35 1z54 h TYR 123 N 0.65 -0.65 -0.56 1.37 5.03 0.05 -1.61 116.97 121.25 1z54 h TYR 123 Ca 0.03 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.44 1z54 h TYR 123 Cb 1.07 0.22 -0.10 0.00 1.55 0.00 0.00 36.73 39.47 1z54 h TYR 123 CO 0.07 -0.40 -0.09 -0.09 -1.32 0.00 0.00 178.16 176.33 1z54 h ARG 124 N -0.68 0.03 -0.70 1.82 9.65 -0.65 0.16 114.38 124.01 1z54 h ARG 124 Ca -0.07 -0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.88 1z54 h ARG 124 Cb 0.53 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.06 1z54 h ARG 124 CO 0.10 0.02 0.46 0.00 2.80 0.00 0.00 179.97 183.35 1z54 h ALA 125 N 1.54 1.75 0.00 2.80 0.00 -1.16 -1.54 119.26 122.64 1z54 h ALA 125 Ca 0.28 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1z54 h ALA 125 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1z54 h ALA 125 CO -0.54 0.13 -0.66 -0.07 0.00 0.00 0.00 179.25 178.11 1z54 h LEU 126 N 0.69 0.00 0.00 0.00 3.38 0.16 -3.24 115.31 116.31 1z54 h LEU 126 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1z54 h LEU 126 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1z54 h LEU 126 CO -0.10 0.66 0.00 -1.54 0.09 0.00 0.00 178.44 177.55 1z54 n SER 127 N -3.28 0.00 0.00 -0.43 3.41 0.29 -3.37 113.62 110.24 1z54 n SER 127 Ca 0.01 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1z54 n SER 127 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1z54 n SER 127 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1z54 n VAL 128 N -0.63 0.00 -3.46 -3.33 0.24 -1.20 -4.90 118.33 105.05 1z54 n VAL 128 Ca 0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.92 1z54 n VAL 128 Cb 0.02 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.10 1z54 n VAL 128 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1z54 s LEU 129 N -3.44 6.19 0.00 1.34 2.01 -1.22 -4.88 118.68 118.68 1z54 s LEU 129 Ca 0.00 -2.98 0.00 0.00 0.01 0.00 0.00 54.13 51.16 1z54 s LEU 129 Cb 0.00 -2.09 0.00 0.00 0.01 0.00 0.00 46.19 44.11 1z54 s LEU 129 CO 0.00 -0.44 0.00 0.00 1.01 0.00 0.00 176.35 176.92