#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z54 s SER 3 N 0.00 5.58 -0.14 1.62 0.15 -0.50 -4.96 113.70 115.45 1z54 s SER 3 Ca 0.00 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 1z54 s SER 3 Cb 0.00 -1.61 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1z54 s SER 3 CO 0.00 0.32 -0.04 -0.69 1.20 0.00 0.00 173.24 174.03 1z54 s VAL 4 N -1.07 0.92 -0.19 4.45 1.01 -1.26 -0.74 120.40 123.52 1z54 s VAL 4 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1z54 s VAL 4 Cb -0.12 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1z54 s VAL 4 CO 0.09 0.16 -0.12 -0.89 0.00 0.00 0.00 175.10 174.34 1z54 s THR 5 N 1.72 2.84 -0.16 3.92 2.01 0.15 -4.93 115.64 121.20 1z54 s THR 5 Ca 0.02 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 1z54 s THR 5 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1z54 s THR 5 CO -0.07 0.48 0.53 -0.60 -0.69 0.00 0.00 174.62 174.27 1z54 s ARG 6 N 1.16 4.27 -0.06 4.92 3.52 -1.26 -0.11 118.95 131.39 1z54 s ARG 6 Ca 0.01 0.49 0.02 0.00 -0.13 0.00 0.00 55.73 56.12 1z54 s ARG 6 Cb -0.14 -3.50 0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1z54 s ARG 6 CO -0.04 -0.02 -0.10 0.42 -0.81 0.00 0.00 175.30 174.75 1z54 s ILE 7 N 1.19 0.99 -0.28 4.11 1.01 0.14 -4.98 121.20 123.38 1z54 s ILE 7 Ca 0.26 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1z54 s ILE 7 Cb -0.16 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1z54 s ILE 7 CO 0.11 0.33 0.67 -0.75 0.00 0.00 0.00 174.94 175.29 1z54 s LYS 8 N 0.80 4.02 0.19 2.79 2.20 -1.26 -0.49 119.74 128.00 1z54 s LYS 8 Ca -0.12 0.49 -0.33 0.00 -0.36 0.00 0.00 55.97 55.65 1z54 s LYS 8 Cb -0.15 -3.69 -0.14 0.00 -1.51 0.00 0.00 37.83 32.34 1z54 s LYS 8 CO 0.02 -0.52 1.49 0.28 -0.36 0.00 0.00 175.35 176.26 1z54 n VAL 9 N 5.32 0.42 -3.76 4.02 0.31 -0.88 -4.97 118.33 118.78 1z54 n VAL 9 Ca 0.00 -0.10 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 1z54 n VAL 9 Cb 0.49 -1.46 -0.05 0.00 -0.91 0.00 0.00 33.84 31.90 1z54 n VAL 9 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1z54 s ARG 10 N 0.30 3.58 0.21 5.55 0.52 -1.26 -4.53 118.95 123.32 1z54 s ARG 10 Ca 0.74 -0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 55.82 1z54 s ARG 10 Cb -0.68 -3.12 0.31 0.00 0.52 0.00 0.00 34.95 31.98 1z54 s ARG 10 CO 0.44 0.68 1.73 -0.92 0.02 0.00 0.00 175.30 177.25 1z54 h TYR 11 N 4.26 0.34 -0.04 -0.53 3.20 -1.98 0.20 116.97 122.43 1z54 h TYR 11 Ca -0.51 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.40 1z54 h TYR 11 Cb 1.21 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1z54 h TYR 11 CO 0.70 0.05 0.17 0.00 -1.64 0.00 0.00 178.16 177.45 1z54 h ALA 12 N 1.45 1.30 -0.00 1.82 0.00 -2.02 -0.53 119.26 121.28 1z54 h ALA 12 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1z54 h ALA 12 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1z54 h ALA 12 CO -0.35 -0.20 -0.25 0.39 0.00 0.00 0.00 179.25 178.84 1z54 n GLU 13 N -3.16 0.18 -2.86 0.00 1.02 0.71 -4.90 120.64 111.63 1z54 n GLU 13 Ca -0.02 -0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.73 1z54 n GLU 13 Cb 0.25 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.87 4.54 0.50 2.62 -4.23 -0.21 -1.69 115.64 114.31 1z54 s THR 14 Ca 0.16 1.19 0.05 0.00 -1.18 0.00 0.00 61.69 61.91 1z54 s THR 14 Cb 0.19 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1z54 s THR 14 CO 0.59 -0.35 0.27 1.51 -0.54 0.00 0.00 174.62 176.10 1z54 s ASP 15 N -2.44 4.49 0.42 3.99 3.84 0.74 -4.77 116.67 122.95 1z54 s ASP 15 Ca 0.58 -1.28 0.20 0.00 -0.00 0.00 0.00 52.55 52.05 1z54 s ASP 15 Cb -0.10 0.20 1.14 0.00 -1.38 0.00 0.00 42.92 42.78 1z54 s ASP 15 CO 0.19 -0.91 1.81 1.56 -0.00 0.00 0.00 175.17 177.83 1z54 h GLN 16 N 1.04 0.35 0.00 2.11 4.20 -1.98 0.51 115.11 121.34 1z54 h GLN 16 Ca -0.40 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1z54 h GLN 16 Cb 1.29 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1z54 h GLN 16 CO 0.64 0.23 0.00 -1.33 -0.67 0.00 0.00 178.83 177.70 1z54 n MET 17 N -4.53 0.43 -0.98 1.46 2.81 -1.26 -4.85 117.12 110.20 1z54 n MET 17 Ca 0.23 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1z54 n MET 17 Cb 0.83 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 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 0.14 0.44 3.42 3.03 0.00 0.18 -5.04 105.19 107.36 1z54 n GLY 18 Ca 0.11 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 1.29 0.13 1.61 -7.23 -1.25 -4.65 120.40 108.30 1z54 s VAL 19 Ca 0.00 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 1z54 s VAL 19 Cb 0.00 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 1z54 s VAL 19 CO 0.00 -0.16 1.61 -0.69 -0.31 0.00 0.00 175.10 175.56 1z54 s VAL 20 N -3.24 2.75 0.31 1.32 1.01 0.00 -0.19 120.40 122.36 1z54 s VAL 20 Ca 0.33 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 1z54 s VAL 20 Cb 0.07 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 1z54 s VAL 20 CO 0.13 0.02 1.58 1.57 0.00 0.00 0.00 175.10 178.40 1z54 n HIS 21 N 4.61 2.92 0.17 5.22 -0.00 -0.68 -4.81 115.22 122.65 1z54 n HIS 21 Ca 0.15 0.29 0.19 0.00 0.46 0.00 0.00 57.72 58.80 1z54 n HIS 21 Cb 0.39 -2.59 0.79 0.00 -0.12 0.00 0.00 29.99 28.47 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 4.41 0.00 0.00 1.57 2.07 -1.92 0.14 115.15 121.42 1z54 h HIS 22 Ca -0.48 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.02 1z54 h HIS 22 Cb 1.23 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.20 1z54 h HIS 22 CO 0.57 0.00 -0.12 0.66 -3.07 0.00 0.00 177.93 175.98 1z54 h SER 23 N 0.00 0.00 0.16 3.10 4.64 -1.97 -3.18 113.55 116.30 1z54 h SER 23 Ca 0.13 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 1z54 h SER 23 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1z54 h SER 23 CO -0.00 0.12 -0.40 0.58 -0.87 0.00 0.00 176.83 176.25 1z54 h VAL 24 N 0.00 1.31 -0.95 0.95 2.07 -1.32 -3.22 116.25 115.09 1z54 h VAL 24 Ca -0.00 -1.53 0.21 0.00 0.82 0.00 0.00 66.70 66.20 1z54 h VAL 24 Cb 0.78 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 1z54 h VAL 24 CO 0.01 0.46 0.62 1.88 0.02 0.00 0.00 177.57 180.56 1z54 h TYR 25 N 0.27 0.70 -0.47 1.57 0.05 -1.66 0.41 116.97 117.85 1z54 h TYR 25 Ca 0.02 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 1z54 h TYR 25 Cb 0.83 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 1z54 h TYR 25 CO 0.02 0.16 0.12 0.00 -1.05 0.00 0.00 178.16 177.41 1z54 h ALA 26 N 1.62 1.33 -0.35 3.88 0.00 -1.77 0.45 119.26 124.42 1z54 h ALA 26 Ca 0.52 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1z54 h ALA 26 Cb 1.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1z54 h ALA 26 CO -0.25 0.48 -0.27 0.28 0.00 0.00 0.00 179.25 179.49 1z54 h VAL 27 N 0.68 1.28 -0.29 0.00 2.07 -0.37 -1.92 116.25 117.69 1z54 h VAL 27 Ca 0.15 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 1z54 h VAL 27 Cb 0.25 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1z54 h VAL 27 CO -0.00 0.46 0.02 1.88 0.02 0.00 0.00 177.57 179.94 1z54 h TYR 28 N 0.62 0.54 -0.56 1.57 0.99 -0.40 -2.55 116.97 117.18 1z54 h TYR 28 Ca 0.08 -0.08 0.06 0.00 2.00 0.00 0.00 58.73 60.78 1z54 h TYR 28 Cb 0.77 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 38.33 1z54 h TYR 28 CO 0.04 0.62 0.37 -0.07 -0.00 0.00 0.00 178.16 179.12 1z54 h LEU 29 N 0.30 0.46 -0.61 3.88 3.38 -0.74 -1.55 115.31 120.44 1z54 h LEU 29 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1z54 h LEU 29 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1z54 h LEU 29 CO 0.01 0.31 -0.20 -0.08 0.09 0.00 0.00 178.44 178.57 1z54 h GLU 30 N 0.53 0.89 -0.26 1.13 4.81 -0.97 0.09 114.58 120.79 1z54 h GLU 30 Ca 0.24 -0.36 -0.17 0.00 -0.13 0.00 0.00 59.36 58.95 1z54 h GLU 30 Cb 0.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1z54 h GLU 30 CO -0.07 1.00 -0.48 0.00 -0.73 0.00 0.00 179.01 178.74 1z54 h ALA 31 N 0.99 0.41 -0.80 2.92 0.00 -1.03 -0.64 119.26 121.12 1z54 h ALA 31 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1z54 h ALA 31 Cb 0.74 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1z54 h ALA 31 CO 0.06 0.58 0.32 0.00 0.00 0.00 0.00 179.25 180.20 1z54 h ALA 32 N 0.66 1.04 -0.30 0.00 0.00 -1.19 -0.29 119.26 119.16 1z54 h ALA 32 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1z54 h ALA 32 Cb 1.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1z54 h ALA 32 CO 0.11 0.67 -0.02 -0.09 0.00 0.00 0.00 179.25 179.91 1z54 h ARG 33 N 1.16 0.55 -0.41 0.00 2.43 -0.88 0.45 114.38 117.68 1z54 h ARG 33 Ca 0.27 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1z54 h ARG 33 Cb 0.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1z54 h ARG 33 CO -0.02 0.71 0.16 0.28 -1.51 0.00 0.00 179.97 179.59 1z54 h VAL 34 N 0.34 1.16 -0.13 0.20 2.07 -0.82 -0.97 116.25 118.10 1z54 h VAL 34 Ca 0.08 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1z54 h VAL 34 Cb 0.47 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1z54 h VAL 34 CO 0.02 0.19 -0.07 -0.78 0.02 0.00 0.00 177.57 176.96 1z54 h ASP 35 N 0.58 0.28 -0.88 0.57 3.58 -0.74 -1.28 116.42 118.53 1z54 h ASP 35 Ca 0.14 -0.42 0.08 0.00 0.42 0.00 0.00 57.03 57.26 1z54 h ASP 35 Cb 0.13 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 1z54 h ASP 35 CO -0.01 0.64 0.54 0.15 -2.88 0.00 0.00 179.24 177.67 1z54 h PHE 36 N -0.09 0.98 -0.39 0.28 3.04 -0.36 0.63 116.94 121.04 1z54 h PHE 36 Ca 0.03 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.90 1z54 h PHE 36 Cb 0.54 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1z54 h PHE 36 CO 0.07 0.45 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.53 1z54 h LEU 37 N 0.92 0.76 -0.55 0.59 3.38 -1.07 -2.47 115.31 116.88 1z54 h LEU 37 Ca 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1z54 h LEU 37 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1z54 h LEU 37 CO -0.22 0.95 0.32 -0.08 0.09 0.00 0.00 178.44 179.50 1z54 h GLU 38 N 0.66 0.75 0.00 1.13 4.57 0.06 0.33 114.58 122.09 1z54 h GLU 38 Ca 0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1z54 h GLU 38 Cb 0.70 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1z54 h GLU 38 CO 0.05 0.56 0.00 0.00 -1.18 0.00 0.00 179.01 178.44 1z54 h ARG 39 N 0.74 0.00 -0.40 1.92 3.08 -0.69 -2.11 114.38 116.93 1z54 h ARG 39 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1z54 h ARG 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1z54 h ARG 39 CO -0.04 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 1z54 n ALA 40 N -1.99 2.44 -1.21 0.04 0.00 -0.87 -4.90 120.51 114.02 1z54 n ALA 40 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1z54 n ALA 40 Cb 0.26 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.33 0.48 2.66 0.00 0.00 -0.79 -4.90 105.19 103.96 1z54 n GLY 41 Ca 0.18 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 3.18 -4.66 0.99 4.32 0.11 -5.01 117.00 115.94 1z54 n LEU 42 Ca 0.00 -5.38 -0.55 0.00 -0.02 0.00 0.00 56.01 50.06 1z54 n LEU 42 Cb 0.16 -0.09 -0.07 0.00 -1.62 0.00 0.00 43.42 41.79 1z54 n LEU 42 CO 0.00 2.31 1.45 -0.81 -1.22 0.00 0.00 177.39 179.11 1z54 n PRO 43 N -0.08 1.34 -0.35 3.23 -0.04 -1.25 -4.01 135.00 133.84 1z54 n PRO 43 Ca 0.29 0.47 0.09 0.00 -0.04 0.00 0.00 63.50 64.31 1z54 n PRO 43 Cb 0.51 -2.26 0.26 0.00 -0.04 0.00 0.00 33.50 31.97 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 8.47 1.08 -0.66 0.54 3.20 -1.88 -0.49 116.97 127.24 1z54 h TYR 44 Ca -0.43 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.48 1z54 h TYR 44 Cb 1.31 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1z54 h TYR 44 CO 0.83 0.36 0.43 1.12 -1.64 0.00 0.00 178.16 179.26 1z54 h HIS 45 N 0.89 0.83 -0.43 -3.82 2.07 -1.98 -0.36 115.15 112.35 1z54 h HIS 45 Ca 0.52 0.02 -0.13 0.00 -2.85 0.00 0.00 60.37 57.93 1z54 h HIS 45 Cb 0.63 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.32 1z54 h HIS 45 CO -0.01 0.53 -0.23 0.00 -3.07 0.00 0.00 177.93 175.14 1z54 h ARG 46 N 0.89 0.88 0.20 5.12 2.47 -1.47 -1.22 114.38 121.25 1z54 h ARG 46 Ca 0.24 -0.37 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1z54 h ARG 46 Cb -0.09 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1z54 h ARG 46 CO -0.05 1.02 -0.11 0.28 0.56 0.00 0.00 179.97 181.67 1z54 h VAL 47 N 0.76 0.77 -0.44 2.04 2.07 -0.59 -2.27 116.25 118.59 1z54 h VAL 47 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1z54 h VAL 47 Cb 0.78 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1z54 h VAL 47 CO 0.06 0.00 0.17 -0.33 0.02 0.00 0.00 177.57 177.50 1z54 h GLU 48 N -0.29 0.63 0.00 1.57 5.08 -0.87 -0.86 114.58 119.84 1z54 h GLU 48 Ca -0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1z54 h GLU 48 Cb 0.23 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1z54 h GLU 48 CO 0.03 0.52 -0.05 0.00 -1.00 0.00 0.00 179.01 178.51 1z54 h ALA 49 N 1.57 1.72 -0.05 3.43 0.00 -0.78 0.20 119.26 125.35 1z54 h ALA 49 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1z54 h ALA 49 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1z54 h ALA 49 CO -0.01 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1z54 n ARG 50 N -4.20 1.33 -2.00 0.00 1.74 -0.37 -4.88 116.66 108.29 1z54 n ARG 50 Ca -0.03 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 1z54 n ARG 50 Cb 0.14 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1z54 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1z54 n GLY 51 N 1.00 0.66 3.13 -0.13 0.00 0.70 -4.96 105.19 105.60 1z54 n GLY 51 Ca 0.18 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.32 1.52 0.07 1.61 1.01 -0.95 -1.99 120.40 119.36 1z54 s VAL 52 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1z54 s VAL 52 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1z54 s VAL 52 CO 0.00 0.44 -0.09 -0.36 0.00 0.00 0.00 175.10 175.09 1z54 s PHE 53 N 0.23 0.90 -0.55 5.22 0.08 0.48 -2.64 117.98 121.70 1z54 s PHE 53 Ca -0.09 -0.62 0.06 0.00 0.12 0.00 0.00 56.93 56.40 1z54 s PHE 53 Cb -0.14 -0.51 0.32 0.00 -0.57 0.00 0.00 43.02 42.12 1z54 s PHE 53 CO 0.04 -0.05 0.86 1.19 -0.10 0.00 0.00 175.22 177.15 1z54 n PHE 54 N 0.87 3.22 -1.64 0.36 0.99 -1.26 -0.88 117.46 119.12 1z54 n PHE 54 Ca -0.18 -3.99 -0.39 0.00 -0.00 0.00 0.00 57.45 52.89 1z54 n PHE 54 Cb 0.57 -0.49 0.04 0.00 -1.00 0.00 0.00 39.48 38.60 1z54 n PHE 54 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1z54 n PRO 55 N 0.13 1.16 -3.03 -1.08 -0.04 -1.22 -4.74 135.00 126.18 1z54 n PRO 55 Ca 0.29 0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 63.79 1z54 n PRO 55 Cb 0.44 -2.23 -0.05 0.00 -0.04 0.00 0.00 33.50 31.62 1z54 n PRO 55 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1z54 s VAL 56 N -1.42 5.02 -0.03 0.52 1.01 -1.26 -2.66 120.40 121.58 1z54 s VAL 56 Ca 0.72 1.44 0.13 0.00 0.00 0.00 0.00 61.98 64.28 1z54 s VAL 56 Cb -0.44 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 31.69 1z54 s VAL 56 CO 0.50 0.21 0.30 1.33 0.00 0.00 0.00 175.10 177.44 1z54 n VAL 57 N 3.99 0.00 -3.64 2.92 0.24 -0.05 -4.98 118.33 116.81 1z54 n VAL 57 Ca -0.01 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 1z54 n VAL 57 Cb 0.51 0.22 -0.08 0.00 -1.47 0.00 0.00 33.84 33.02 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 -2.91 0.81 0.01 7.34 2.12 -1.17 -4.98 118.70 119.92 1z54 s GLU 58 Ca -0.05 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.73 1z54 s GLU 58 Cb 0.09 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 1z54 s GLU 58 CO 0.56 -0.19 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.86 1z54 s LEU 59 N -0.52 2.08 -0.04 2.70 2.96 -1.26 -0.37 118.68 124.23 1z54 s LEU 59 Ca -0.06 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1z54 s LEU 59 Cb -0.03 -0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.47 1z54 s LEU 59 CO 0.05 -0.02 0.10 -0.83 -1.32 0.00 0.00 176.35 174.33 1z54 s GLY 60 N -0.53 -0.05 -0.07 7.98 0.00 -0.28 -4.98 107.32 109.39 1z54 s GLY 60 Ca -0.02 0.37 -0.06 0.00 0.00 0.00 0.00 44.72 45.01 1z54 s GLY 60 CO -0.00 0.45 0.19 1.08 0.00 0.00 0.00 173.10 174.81 1z54 s LEU 61 N 0.40 1.17 -0.12 0.66 1.43 -1.26 -0.46 118.68 120.50 1z54 s LEU 61 Ca -0.03 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1z54 s LEU 61 Cb -0.04 0.62 0.02 0.00 0.03 0.00 0.00 46.19 46.81 1z54 s LEU 61 CO -0.02 -0.08 -0.13 -0.89 0.23 0.00 0.00 176.35 175.47 1z54 s THR 62 N 0.29 1.39 -0.28 5.49 2.01 0.24 -4.97 115.64 119.81 1z54 s THR 62 Ca -0.02 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1z54 s THR 62 Cb -0.03 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1z54 s THR 62 CO -0.01 0.42 0.19 -0.36 -0.69 0.00 0.00 174.62 174.18 1z54 s PHE 63 N 1.30 3.22 -0.25 4.92 0.08 -1.26 -0.92 117.98 125.08 1z54 s PHE 63 Ca -0.01 0.13 -0.00 0.00 0.12 0.00 0.00 56.93 57.17 1z54 s PHE 63 Cb -0.14 -2.38 -0.15 0.00 -0.57 0.00 0.00 43.02 39.78 1z54 s PHE 63 CO -0.06 -0.15 -0.23 0.54 -0.10 0.00 0.00 175.22 175.21 1z54 n ARG 64 N 5.04 0.60 -3.82 0.44 5.12 0.10 -4.98 116.66 119.16 1z54 n ARG 64 Ca -0.14 0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.82 1z54 n ARG 64 Cb 0.52 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.49 -0.50 0.72 7.54 0.00 0.00 -5.01 121.76 122.02 1z54 s ALA 65 Ca -0.33 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1z54 s ALA 65 Cb 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1z54 s ALA 65 CO 0.55 -0.18 1.07 -1.25 0.00 0.00 0.00 175.76 175.95 1z54 s PRO 66 N -0.80 2.77 0.10 0.00 0.04 -1.26 -4.48 135.00 131.37 1z54 s PRO 66 Ca -0.09 0.79 0.07 0.00 0.04 0.00 0.00 61.00 61.82 1z54 s PRO 66 Cb -0.05 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1z54 s PRO 66 CO 0.02 -1.18 -0.12 0.00 0.04 0.00 0.00 177.00 175.75 1z54 s ALA 67 N -3.12 2.86 0.10 8.56 0.00 -1.26 -5.00 121.76 123.90 1z54 s ALA 67 Ca 0.58 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1z54 s ALA 67 Cb -0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1z54 s ALA 67 CO 0.54 0.62 -0.08 1.03 0.00 0.00 0.00 175.76 177.88 1z54 s ARG 68 N -2.08 0.85 0.30 0.00 0.52 -1.26 -0.82 118.95 116.45 1z54 s ARG 68 Ca 0.20 -1.26 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 1z54 s ARG 68 Cb -0.11 -0.36 -0.11 0.00 0.52 0.00 0.00 34.95 34.90 1z54 s ARG 68 CO 0.12 0.03 1.46 0.12 0.02 0.00 0.00 175.30 177.05 1z54 s PHE 69 N -3.09 2.88 0.00 -0.53 2.19 -1.26 -1.81 117.98 116.36 1z54 s PHE 69 Ca 0.09 1.06 0.00 0.00 0.33 0.00 0.00 56.93 58.41 1z54 s PHE 69 Cb 0.02 -3.89 0.00 0.00 -1.31 0.00 0.00 43.02 37.83 1z54 s PHE 69 CO -0.02 -2.81 0.00 0.41 1.83 0.00 0.00 175.22 174.63 1z54 n GLY 70 N 1.65 2.76 3.95 13.12 0.00 -1.26 -5.07 105.19 120.34 1z54 n GLY 70 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.49 3.16 -0.08 1.61 2.02 -0.75 -5.02 118.70 119.14 1z54 s GLU 71 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1z54 s GLU 71 Cb 0.00 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.46 1z54 s GLU 71 CO 0.00 0.21 -0.17 0.08 0.02 0.00 0.00 175.26 175.39 1z54 s VAL 72 N -2.13 1.54 0.29 2.63 1.01 -1.26 -2.07 120.40 120.41 1z54 s VAL 72 Ca 0.40 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1z54 s VAL 72 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1z54 s VAL 72 CO 0.29 0.45 0.04 0.68 0.00 0.00 0.00 175.10 176.56 1z54 s VAL 73 N 0.57 3.29 -0.08 2.92 -7.23 0.36 -4.80 120.40 115.43 1z54 s VAL 73 Ca -0.15 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1z54 s VAL 73 Cb -0.17 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.89 1z54 s VAL 73 CO 0.05 -0.30 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.77 1z54 s GLU 74 N -3.73 2.19 -0.24 4.82 2.02 0.08 0.26 118.70 124.09 1z54 s GLU 74 Ca 0.34 -0.58 -0.07 0.00 0.02 0.00 0.00 54.97 54.68 1z54 s GLU 74 Cb -0.05 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 1z54 s GLU 74 CO 0.21 0.06 0.06 0.08 0.02 0.00 0.00 175.26 175.68 1z54 s VAL 75 N 0.62 4.24 -0.24 2.63 1.01 0.84 -0.88 120.40 128.62 1z54 s VAL 75 Ca -0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1z54 s VAL 75 Cb -0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1z54 s VAL 75 CO 0.05 0.36 0.18 -0.13 0.00 0.00 0.00 175.10 175.55 1z54 s ARG 76 N 1.47 4.06 0.01 2.72 0.52 0.08 -0.68 118.95 127.13 1z54 s ARG 76 Ca 0.06 -0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.07 1z54 s ARG 76 Cb -0.15 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 1z54 s ARG 76 CO 0.03 0.02 -0.17 -0.08 0.02 0.00 0.00 175.30 175.12 1z54 s THR 77 N 1.18 1.33 0.04 0.02 -1.32 0.08 -1.58 115.64 115.40 1z54 s THR 77 Ca 0.08 -0.88 -0.02 0.00 -1.21 0.00 0.00 61.69 59.66 1z54 s THR 77 Cb -0.14 -1.14 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1z54 s THR 77 CO 0.06 0.25 0.01 0.00 -2.21 0.00 0.00 174.62 172.72 1z54 s ARG 78 N -0.74 0.57 -0.65 7.08 3.03 -1.01 -1.40 118.95 125.83 1z54 s ARG 78 Ca 0.05 -0.99 -0.21 0.00 2.03 0.00 0.00 55.73 56.61 1z54 s ARG 78 Cb -0.07 0.21 0.08 0.00 -1.03 0.00 0.00 34.95 34.14 1z54 s ARG 78 CO 0.00 -0.12 0.88 -1.17 -1.13 0.00 0.00 175.30 173.77 1z54 s LEU 79 N -2.48 4.76 0.16 -1.89 2.96 -1.26 -1.89 118.68 119.03 1z54 s LEU 79 Ca 0.00 -1.19 0.02 0.00 -0.22 0.00 0.00 54.13 52.74 1z54 s LEU 79 Cb 0.03 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1z54 s LEU 79 CO -0.07 -1.32 1.36 0.00 -1.32 0.00 0.00 176.35 175.00 1z54 h ALA 80 N 9.41 0.49 -3.71 5.97 0.00 -1.12 -3.42 119.26 126.87 1z54 h ALA 80 Ca -0.27 -0.74 -0.25 0.00 0.00 0.00 0.00 54.91 53.65 1z54 h ALA 80 Cb 1.07 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.50 1z54 h ALA 80 CO 1.15 0.93 -0.73 -1.21 0.00 0.00 0.00 179.25 179.39 1z54 s GLU 81 N -3.17 0.05 -0.05 0.00 2.02 -0.92 -4.97 118.70 111.66 1z54 s GLU 81 Ca -0.03 0.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 1z54 s GLU 81 Cb 0.10 -0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.26 1z54 s GLU 81 CO 0.83 -0.01 0.11 -1.17 0.02 0.00 0.00 175.26 175.03 1z54 s LEU 82 N 0.17 0.96 0.31 1.80 2.96 -1.26 -1.14 118.68 122.48 1z54 s LEU 82 Ca -0.01 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 1z54 s LEU 82 Cb -0.02 0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.87 1z54 s LEU 82 CO -0.00 -0.12 0.24 -0.94 -1.32 0.00 0.00 176.35 174.20 1z54 s SER 83 N 0.97 1.50 0.48 3.68 1.04 -0.56 -5.00 113.70 115.80 1z54 s SER 83 Ca -0.08 -1.69 0.32 0.00 0.48 0.00 0.00 55.95 54.99 1z54 s SER 83 Cb -0.10 0.52 1.51 0.00 0.10 0.00 0.00 66.02 68.04 1z54 s SER 83 CO -0.04 -1.01 1.97 0.77 0.98 0.00 0.00 173.24 175.91 1z54 h SER 84 N 2.20 0.00 0.00 7.02 4.64 -1.99 -3.27 113.55 122.15 1z54 h SER 84 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1z54 h SER 84 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1z54 h SER 84 CO 0.41 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.91 1z54 n ARG 85 N -2.77 2.93 -3.95 4.77 1.74 -1.26 -0.30 116.66 117.82 1z54 n ARG 85 Ca -0.00 -0.10 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 1z54 n ARG 85 Cb 0.20 -0.48 -0.08 0.00 -1.02 0.00 0.00 32.46 31.08 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 -0.45 0.07 0.05 7.54 0.00 -1.24 -2.82 121.76 124.91 1z54 s ALA 86 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1z54 s ALA 86 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1z54 s ALA 86 CO 0.00 -0.46 -0.10 -0.51 0.00 0.00 0.00 175.76 174.70 1z54 s LEU 87 N -2.89 2.27 -0.15 0.00 2.01 -0.51 -1.50 118.68 117.91 1z54 s LEU 87 Ca 0.06 -0.58 -0.04 0.00 0.01 0.00 0.00 54.13 53.58 1z54 s LEU 87 Cb 0.06 -0.26 0.05 0.00 0.01 0.00 0.00 46.19 46.05 1z54 s LEU 87 CO -0.10 -0.17 0.06 -0.22 1.01 0.00 0.00 176.35 176.92 1z54 s LEU 88 N -1.66 0.57 -0.10 1.79 1.98 -0.29 -0.27 118.68 120.69 1z54 s LEU 88 Ca -0.07 -0.52 -0.07 0.00 -2.89 0.00 0.00 54.13 50.58 1z54 s LEU 88 Cb -0.10 -0.34 -0.04 0.00 0.66 0.00 0.00 46.19 46.37 1z54 s LEU 88 CO 0.01 -0.31 0.15 -0.36 -1.89 0.00 0.00 176.35 173.95 1z54 s PHE 89 N 2.05 3.60 0.01 5.38 0.40 -0.37 -0.48 117.98 128.57 1z54 s PHE 89 Ca 0.02 0.52 0.08 0.00 -0.60 0.00 0.00 56.93 56.95 1z54 s PHE 89 Cb -0.15 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1z54 s PHE 89 CO -0.08 0.73 -0.25 1.03 0.70 0.00 0.00 175.22 177.35 1z54 s ARG 90 N -1.15 1.98 0.10 0.44 0.52 -0.79 -1.46 118.95 118.59 1z54 s ARG 90 Ca 0.17 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 1z54 s ARG 90 Cb -0.12 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 1z54 s ARG 90 CO 0.06 0.54 -0.08 0.71 0.02 0.00 0.00 175.30 176.55 1z54 s TYR 91 N -0.73 1.00 -0.07 -0.53 1.51 0.59 -2.39 117.35 116.73 1z54 s TYR 91 Ca 0.11 -0.79 -0.00 0.00 -1.01 0.00 0.00 57.07 55.38 1z54 s TYR 91 Cb -0.10 -0.55 0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1z54 s TYR 91 CO 0.01 -0.06 -0.04 1.03 -1.11 0.00 0.00 175.55 175.39 1z54 s ARG 92 N -3.42 0.93 -0.26 -0.62 0.52 -0.62 -2.03 118.95 113.46 1z54 s ARG 92 Ca 0.10 -0.06 -0.09 0.00 -0.52 0.00 0.00 55.73 55.16 1z54 s ARG 92 Cb 0.02 -1.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.37 1z54 s ARG 92 CO -0.02 -0.21 0.12 0.08 0.02 0.00 0.00 175.30 175.29 1z54 s VAL 93 N 1.51 4.74 0.24 3.52 1.01 0.52 -0.74 120.40 131.19 1z54 s VAL 93 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1z54 s VAL 93 Cb -0.13 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1z54 s VAL 93 CO -0.04 0.31 0.04 -1.61 0.00 0.00 0.00 175.10 173.80 1z54 s GLU 94 N 1.57 1.36 -0.12 2.72 2.02 -0.06 0.02 118.70 126.21 1z54 s GLU 94 Ca 0.06 -1.71 -0.05 0.00 0.02 0.00 0.00 54.97 53.30 1z54 s GLU 94 Cb -0.15 -0.47 0.06 0.00 0.10 0.00 0.00 34.13 33.67 1z54 s GLU 94 CO 0.06 -0.18 0.25 0.50 0.02 0.00 0.00 175.26 175.92 1z54 s ARG 95 N -3.93 0.14 -1.37 1.61 3.52 -0.12 -0.75 118.95 118.05 1z54 s ARG 95 Ca 0.32 0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 56.54 1z54 s ARG 95 Cb 0.07 -0.06 0.07 0.00 -1.56 0.00 0.00 34.95 33.47 1z54 s ARG 95 CO 0.10 -0.28 0.58 0.39 -0.81 0.00 0.00 175.30 175.29 1z54 n GLU 96 N 5.30 -3.82 -0.62 5.12 1.02 -1.26 -0.08 120.64 126.29 1z54 n GLU 96 Ca -0.07 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1z54 n GLU 96 Cb 0.50 -5.29 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 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 -1.29 1.15 3.76 0.62 0.00 -1.26 -5.03 105.19 103.14 1z54 n GLY 97 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.39 5.23 -0.15 1.61 1.01 0.88 -5.05 120.40 120.54 1z54 s VAL 98 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 1z54 s VAL 98 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1z54 s VAL 98 CO 0.00 0.44 1.05 -0.22 0.00 0.00 0.00 175.10 176.37 1z54 s LEU 99 N 0.00 4.19 -0.24 3.92 2.96 -1.26 -0.94 118.68 127.31 1z54 s LEU 99 Ca 0.20 1.51 -0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1z54 s LEU 99 Cb -0.14 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.82 1z54 s LEU 99 CO 0.07 -0.56 -0.13 0.18 -1.32 0.00 0.00 176.35 174.60 1z54 n LEU 100 N 5.59 2.78 -3.51 -0.68 4.77 0.10 -4.16 117.00 121.89 1z54 n LEU 100 Ca 0.10 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1z54 n LEU 100 Cb 0.47 -0.94 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1z54 n LEU 100 CO 0.53 0.87 0.43 0.00 -1.33 0.00 0.00 177.39 177.89 1z54 s ALA 101 N -2.52 -1.54 0.01 -1.18 0.00 -0.98 0.03 121.76 115.57 1z54 s ALA 101 Ca -0.33 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 1z54 s ALA 101 Cb 0.09 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1z54 s ALA 101 CO 0.62 -0.82 0.09 -1.83 0.00 0.00 0.00 175.76 173.82 1z54 s GLU 102 N -3.74 0.45 0.00 0.00 -1.05 -0.09 -0.35 118.70 113.91 1z54 s GLU 102 Ca 0.03 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1z54 s GLU 102 Cb -0.02 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1z54 s GLU 102 CO -0.09 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.43 1z54 n GLY 103 N 1.43 1.33 3.45 -3.83 0.00 -0.86 0.80 105.19 107.51 1z54 n GLY 103 Ca -0.23 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -5.18 -0.43 -0.01 1.61 -0.12 0.39 -0.30 117.98 113.95 1z54 s PHE 104 Ca 0.00 0.17 0.01 0.00 -0.05 0.00 0.00 56.93 57.06 1z54 s PHE 104 Cb 0.00 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1z54 s PHE 104 CO 0.00 -0.87 -0.03 0.95 -0.05 0.00 0.00 175.22 175.22 1z54 s THR 105 N -3.78 0.30 -0.10 -4.49 -4.23 -0.54 -1.12 115.64 101.68 1z54 s THR 105 Ca 0.03 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 1z54 s THR 105 Cb -0.01 -0.29 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 1z54 s THR 105 CO -0.10 0.11 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.44 1z54 s ARG 106 N 0.28 3.06 0.10 3.99 3.52 0.50 -1.24 118.95 129.16 1z54 s ARG 106 Ca -0.03 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.09 1z54 s ARG 106 Cb -0.06 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1z54 s ARG 106 CO -0.01 0.53 -0.13 -1.01 -0.81 0.00 0.00 175.30 173.88 1z54 s HIS 107 N -0.45 1.24 0.38 5.12 3.76 0.62 -0.87 115.29 125.09 1z54 s HIS 107 Ca 0.07 -0.57 0.08 0.00 -0.15 0.00 0.00 55.06 54.49 1z54 s HIS 107 Cb -0.12 -0.67 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 1z54 s HIS 107 CO 0.02 0.08 0.10 -0.51 -0.85 0.00 0.00 174.74 173.58 1z54 s LEU 108 N -2.32 3.07 -0.12 0.89 1.43 -1.09 -1.42 118.68 119.12 1z54 s LEU 108 Ca 0.06 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 1z54 s LEU 108 Cb -0.05 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1z54 s LEU 108 CO 0.02 -0.39 -0.09 0.00 0.23 0.00 0.00 176.35 176.12 1z54 s GLN 110 N 0.06 3.02 -0.22 0.00 0.74 -0.06 -0.01 119.66 123.19 1z54 s GLN 110 Ca -0.03 -0.82 -0.04 0.00 0.05 0.00 0.00 55.36 54.51 1z54 s GLN 110 Cb -0.14 -2.57 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 1z54 s GLN 110 CO 0.04 -0.17 -0.03 0.08 -0.55 0.00 0.00 175.29 174.66 1z54 s VAL 111 N 1.19 3.51 0.00 1.34 1.01 -0.88 -0.38 120.40 126.19 1z54 s VAL 111 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1z54 s VAL 111 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1z54 s VAL 111 CO -0.10 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1z54 n GLY 112 N 4.79 1.54 0.23 4.51 0.00 -0.84 -2.97 105.19 112.44 1z54 n GLY 112 Ca -0.18 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.82 -4.03 1.61 -0.58 -1.26 -5.00 120.64 112.21 1z54 n GLU 113 Ca 0.00 -1.66 -0.08 0.00 -0.42 0.00 0.00 57.16 55.00 1z54 n GLU 113 Cb 0.00 -0.97 -0.11 0.00 -0.57 0.00 0.00 31.44 29.80 1z54 n GLU 113 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1z54 s ARG 114 N -1.30 0.44 0.33 3.49 0.52 -1.16 -5.12 118.95 116.15 1z54 s ARG 114 Ca 0.13 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 1z54 s ARG 114 Cb 0.12 0.15 -0.11 0.00 0.52 0.00 0.00 34.95 35.63 1z54 s ARG 114 CO 0.01 -0.08 1.51 0.00 0.02 0.00 0.00 175.30 176.76 1z54 s ALA 115 N -2.51 3.63 0.33 2.13 0.00 -1.26 -2.08 121.76 122.00 1z54 s ALA 115 Ca -0.06 1.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 1z54 s ALA 115 Cb -0.02 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1z54 s ALA 115 CO -0.05 -0.97 0.61 0.00 0.00 0.00 0.00 175.76 175.35 1z54 s ALA 116 N -0.64 -0.19 0.42 0.00 0.00 0.98 -4.85 121.76 117.47 1z54 s ALA 116 Ca 0.57 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1z54 s ALA 116 Cb -0.46 0.94 -0.08 0.00 0.00 0.00 0.00 23.12 23.52 1z54 s ALA 116 CO 0.55 -0.90 1.12 1.03 0.00 0.00 0.00 175.76 177.56 1z54 s ARG 117 N -3.13 3.99 0.08 0.00 0.52 -1.26 -4.28 118.95 114.87 1z54 s ARG 117 Ca 0.21 1.68 -0.31 0.00 -0.52 0.00 0.00 55.73 56.80 1z54 s ARG 117 Cb -0.03 -2.52 -0.08 0.00 0.52 0.00 0.00 34.95 32.84 1z54 s ARG 117 CO 0.13 -0.33 1.51 0.42 0.02 0.00 0.00 175.30 177.05 1z54 s ILE 118 N -1.56 3.22 0.40 1.52 1.01 0.59 -4.92 121.20 121.46 1z54 s ILE 118 Ca 0.60 0.75 -0.25 0.00 0.00 0.00 0.00 60.65 61.74 1z54 s ILE 118 Cb -0.26 -3.48 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 1z54 s ILE 118 CO 0.33 0.02 1.09 -0.81 0.00 0.00 0.00 174.94 175.57 1z54 n PRO 119 N 4.91 1.55 -0.35 2.79 -0.04 -1.26 -4.57 135.00 138.02 1z54 n PRO 119 Ca 0.14 0.55 -0.07 0.00 -0.04 0.00 0.00 63.50 64.07 1z54 n PRO 119 Cb 0.41 -2.13 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 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 0.20 -0.34 -0.19 0.54 2.13 -1.26 -0.97 120.64 120.75 1z54 n GLU 120 Ca 0.08 1.30 -0.02 0.00 0.66 0.00 0.00 57.16 59.18 1z54 n GLU 120 Cb 0.38 -1.91 0.20 0.00 0.27 0.00 0.00 31.44 30.39 1z54 n GLU 120 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1z54 h ASP 121 N 0.00 0.86 -0.16 4.31 3.04 -1.99 -0.83 116.42 121.64 1z54 h ASP 121 Ca 0.17 -0.09 -0.07 0.00 -3.24 0.00 0.00 57.03 53.81 1z54 h ASP 121 Cb 0.39 -0.22 -0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1z54 h ASP 121 CO -0.81 0.72 -0.16 0.40 -2.04 0.00 0.00 179.24 177.35 1z54 h ILE 122 N 0.95 1.34 -0.80 4.15 2.04 -1.51 -2.28 117.51 121.40 1z54 h ILE 122 Ca 0.23 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.78 1z54 h ILE 122 Cb 0.09 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1z54 h ILE 122 CO -0.03 0.39 0.52 0.22 0.00 0.00 0.00 178.15 179.25 1z54 h TYR 123 N 0.04 1.01 -0.21 1.37 3.20 -0.90 -1.70 116.97 119.77 1z54 h TYR 123 Ca 0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1z54 h TYR 123 Cb 0.69 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1z54 h TYR 123 CO 0.08 0.64 0.05 -0.09 -1.64 0.00 0.00 178.16 177.20 1z54 h ARG 124 N 1.08 0.13 -0.28 1.82 2.43 -1.10 0.31 114.38 118.78 1z54 h ARG 124 Ca 0.29 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1z54 h ARG 124 Cb -0.12 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1z54 h ARG 124 CO -0.06 0.09 -0.03 0.00 -1.51 0.00 0.00 179.97 178.46 1z54 h ALA 125 N 1.15 1.44 0.00 2.80 0.00 -1.09 -3.02 119.26 120.54 1z54 h ALA 125 Ca 0.09 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1z54 h ALA 125 Cb 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1z54 h ALA 125 CO -0.12 0.39 -0.70 -0.07 0.00 0.00 0.00 179.25 178.75 1z54 h LEU 126 N 0.41 0.61 -2.18 0.00 3.38 -0.60 -3.25 115.31 113.68 1z54 h LEU 126 Ca 0.09 -0.76 0.05 0.00 0.09 0.00 0.00 57.88 57.34 1z54 h LEU 126 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1z54 h LEU 126 CO 0.01 1.29 0.15 0.77 0.09 0.00 0.00 178.44 180.75 1z54 h SER 127 N -0.01 0.00 0.47 -0.43 4.64 -0.32 0.08 113.55 117.98 1z54 h SER 127 Ca -0.09 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1z54 h SER 127 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1z54 h SER 127 CO 0.14 0.00 -0.40 0.58 -0.87 0.00 0.00 176.83 176.28 1z54 h VAL 128 N 0.00 1.21 0.00 0.95 2.07 -1.56 -3.07 116.25 115.85 1z54 h VAL 128 Ca 0.08 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1z54 h VAL 128 Cb 0.37 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1z54 h VAL 128 CO -0.00 0.39 -1.51 0.18 0.02 0.00 0.00 177.57 176.65 1z54 n LEU 129 N -3.95 0.39 0.00 2.57 7.99 -0.10 -5.15 117.00 118.76 1z54 n LEU 129 Ca -0.02 0.09 0.03 0.00 -0.01 0.00 0.00 56.01 56.11 1z54 n LEU 129 Cb 0.44 -0.03 0.19 0.00 -0.11 0.00 0.00 43.42 43.91 1z54 n LEU 129 CO 0.39 -0.05 0.42 1.57 -1.51 0.00 0.00 177.39 178.21