#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl4 n ILE 3 N 0.00 0.05 -3.66 4.25 -6.64 -1.26 -4.95 119.36 107.14 1yl4 n ILE 3 Ca 0.00 -0.01 -0.36 0.00 -1.77 0.00 0.00 62.75 60.61 1yl4 n ILE 3 Cb 0.00 -1.81 -0.07 0.00 -1.44 0.00 0.00 39.64 36.32 1yl4 n ILE 3 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1yl4 s THR 4 N 1.02 5.37 0.00 7.28 2.01 -1.26 -4.99 115.64 125.06 1yl4 s THR 4 Ca 0.76 0.34 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1yl4 s THR 4 Cb -0.57 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.40 1yl4 s THR 4 CO 0.35 0.44 0.72 0.29 -0.69 0.00 0.00 174.62 175.73 1yl4 n LYS 5 N 3.40 0.00 -0.36 4.92 5.02 -1.26 -0.67 118.16 129.21 1yl4 n LYS 5 Ca -0.15 0.72 0.03 0.00 -2.02 0.00 0.00 58.31 56.90 1yl4 n LYS 5 Cb 0.52 -1.09 0.10 0.00 -0.02 0.00 0.00 35.03 34.54 1yl4 n LYS 5 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1yl4 n GLU 6 N -2.70 -0.14 0.27 1.97 0.00 -1.26 0.17 120.64 118.95 1yl4 n GLU 6 Ca 0.00 1.50 -0.18 0.00 0.00 0.00 0.00 57.16 58.48 1yl4 n GLU 6 Cb 0.00 -2.23 -0.10 0.00 0.00 0.00 0.00 31.44 29.12 1yl4 n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1yl4 h GLU 7 N 0.00 -0.93 -0.80 3.44 5.08 -1.31 0.35 114.58 120.41 1yl4 h GLU 7 Ca 0.41 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 59.01 1yl4 h GLU 7 Cb 0.65 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 29.96 1yl4 h GLU 7 CO -0.98 -0.62 -0.13 1.17 -1.00 0.00 0.00 179.01 177.45 1yl4 n LYS 8 N -5.55 -0.07 0.27 2.33 4.81 0.44 0.16 118.16 120.54 1yl4 n LYS 8 Ca -0.11 1.24 -0.15 0.00 -0.87 0.00 0.00 58.31 58.42 1yl4 n LYS 8 Cb 0.45 -1.89 -0.08 0.00 0.02 0.00 0.00 35.03 33.54 1yl4 n LYS 8 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1yl4 h GLN 9 N 0.00 -0.67 -0.57 1.64 1.08 -0.62 -0.57 115.11 115.40 1yl4 h GLN 9 Ca 0.42 0.05 0.22 0.00 -1.45 0.00 0.00 58.65 57.88 1yl4 h GLN 9 Cb 0.71 0.15 -0.10 0.00 -0.05 0.00 0.00 27.48 28.19 1yl4 h GLN 9 CO -0.81 -0.36 0.23 1.17 -0.95 0.00 0.00 178.83 178.11 1yl4 n LYS 10 N -5.29 -0.04 0.00 1.46 3.00 0.41 -0.06 118.16 117.64 1yl4 n LYS 10 Ca -0.11 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 1yl4 n LYS 10 Cb 0.32 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1yl4 n LYS 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1yl4 n VAL 11 N -4.39 0.00 -0.22 3.15 0.31 -0.09 -0.68 118.33 116.42 1yl4 n VAL 11 Ca 0.19 0.84 0.11 0.00 -0.01 0.00 0.00 64.34 65.47 1yl4 n VAL 11 Cb 0.66 -1.83 0.21 0.00 -0.91 0.00 0.00 33.84 31.97 1yl4 n VAL 11 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1yl4 n ILE 12 N -0.35 -0.26 0.10 2.52 5.41 0.91 0.12 119.36 127.81 1yl4 n ILE 12 Ca 0.00 1.38 -0.04 0.00 1.00 0.00 0.00 62.75 65.08 1yl4 n ILE 12 Cb 0.00 -2.03 -0.02 0.00 -0.71 0.00 0.00 39.64 36.88 1yl4 n ILE 12 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1yl4 h GLN 13 N 0.00 -0.25 -0.44 0.38 1.08 -0.96 -0.15 115.11 114.77 1yl4 h GLN 13 Ca 0.40 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.67 1yl4 h GLN 13 Cb 0.87 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.29 1yl4 h GLN 13 CO -0.58 -0.17 -0.23 -1.91 -0.95 0.00 0.00 178.83 175.00 1yl4 n GLU 14 N -2.80 -0.16 0.00 1.46 4.07 0.32 -2.38 120.64 121.15 1yl4 n GLU 14 Ca -0.03 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 1yl4 n GLU 14 Cb 0.11 -0.98 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1yl4 n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1yl4 n PHE 15 N -4.58 0.00 0.00 4.31 3.01 -0.31 -4.89 117.46 115.00 1yl4 n PHE 15 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1yl4 n PHE 15 Cb 0.13 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1yl4 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yl4 n ALA 16 N -0.76 -0.21 0.07 4.37 0.00 -0.09 -4.78 120.51 119.11 1yl4 n ALA 16 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1yl4 n ALA 16 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1yl4 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yl4 h ARG 17 N 0.00 0.46 -4.69 0.00 3.08 -1.90 -3.41 114.38 107.92 1yl4 h ARG 17 Ca 0.00 -0.55 -0.65 0.00 0.07 0.00 0.00 59.98 58.85 1yl4 h ARG 17 Cb 0.00 0.17 -0.38 0.00 0.08 0.00 0.00 29.97 29.84 1yl4 h ARG 17 CO 0.00 1.19 -0.79 -0.59 -1.07 0.00 0.00 179.97 178.71 1yl4 s PHE 18 N -3.13 3.05 -0.09 3.04 -0.12 -1.26 -5.02 117.98 114.45 1yl4 s PHE 18 Ca -0.07 -2.22 -0.07 0.00 -0.05 0.00 0.00 56.93 54.53 1yl4 s PHE 18 Cb 0.08 -1.92 -0.07 0.00 -0.63 0.00 0.00 43.02 40.48 1yl4 s PHE 18 CO 0.89 -0.86 0.92 -2.30 -0.05 0.00 0.00 175.22 173.82 1yl4 n PRO 19 N 4.49 0.01 0.00 1.99 -0.02 -1.26 -1.47 135.00 138.74 1yl4 n PRO 19 Ca -0.12 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 1yl4 n PRO 19 Cb 0.43 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1yl4 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yl4 n GLY 20 N 4.20 0.00 2.50 -1.23 0.00 -1.26 -5.03 105.19 104.36 1yl4 n GLY 20 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1yl4 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yl4 n ASP 21 N 0.00 6.89 0.22 1.61 4.64 -0.54 -4.64 116.55 124.73 1yl4 n ASP 21 Ca 0.00 -2.75 0.08 0.00 -1.38 0.00 0.00 54.79 50.74 1yl4 n ASP 21 Cb 0.00 -1.57 0.49 0.00 -1.04 0.00 0.00 41.12 39.00 1yl4 n ASP 21 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1yl4 h THR 22 N 3.33 0.83 -2.16 5.18 1.35 -1.94 -3.40 112.91 116.11 1yl4 h THR 22 Ca 0.73 -1.06 -0.29 0.00 -0.55 0.00 0.00 66.41 65.25 1yl4 h THR 22 Cb 0.42 1.64 -0.33 0.00 -1.73 0.00 0.00 68.15 68.15 1yl4 h THR 22 CO 1.78 0.26 -0.60 -0.83 -0.25 0.00 0.00 175.52 175.88 1yl4 s GLY 23 N -4.28 -0.19 0.30 5.82 0.00 -1.26 -4.97 107.32 102.75 1yl4 s GLY 23 Ca -0.02 0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.69 1yl4 s GLY 23 CO 0.66 2.57 0.54 -1.26 0.00 0.00 0.00 173.10 175.60 1yl4 n SER 24 N 5.33 -1.54 0.14 1.64 2.88 -1.26 -5.03 113.62 115.77 1yl4 n SER 24 Ca -0.03 -2.38 0.13 0.00 -1.33 0.00 0.00 58.87 55.26 1yl4 n SER 24 Cb 0.48 2.66 0.31 0.00 -0.75 0.00 0.00 64.21 66.91 1yl4 n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1yl4 h THR 25 N 1.80 0.00 -0.20 2.46 2.02 -1.97 0.12 112.91 117.15 1yl4 h THR 25 Ca -0.25 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1yl4 h THR 25 Cb 0.98 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 1yl4 h THR 25 CO 0.32 0.00 0.01 -0.33 0.37 0.00 0.00 175.52 175.89 1yl4 h GLU 26 N 0.00 0.07 -0.01 6.66 4.39 -1.95 0.18 114.58 123.92 1yl4 h GLU 26 Ca 0.00 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 1yl4 h GLU 26 Cb 0.83 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1yl4 h GLU 26 CO 0.00 0.05 -0.55 0.28 -1.16 0.00 0.00 179.01 177.63 1yl4 h VAL 27 N 0.08 1.43 -0.64 3.13 2.07 -1.83 -0.50 116.25 119.99 1yl4 h VAL 27 Ca 0.09 -2.04 0.10 0.00 0.82 0.00 0.00 66.70 65.68 1yl4 h VAL 27 Cb 0.11 2.57 -0.12 0.00 -1.52 0.00 0.00 31.29 32.34 1yl4 h VAL 27 CO -0.15 0.59 -0.38 1.56 0.02 0.00 0.00 177.57 179.22 1yl4 h GLN 28 N -0.13 -0.16 0.00 1.57 1.08 -0.74 0.15 115.11 116.88 1yl4 h GLN 28 Ca -0.07 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1yl4 h GLN 28 Cb 1.26 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1yl4 h GLN 28 CO 0.11 -0.11 0.00 0.28 -0.95 0.00 0.00 178.83 178.16 1yl4 n VAL 29 N -5.43 0.00 -0.37 -0.54 0.31 0.03 -0.54 118.33 111.80 1yl4 n VAL 29 Ca 0.04 1.27 -0.06 0.00 -0.01 0.00 0.00 64.34 65.59 1yl4 n VAL 29 Cb 0.36 -2.13 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 1yl4 n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yl4 n ALA 30 N -1.55 -0.36 -1.00 3.52 0.00 -0.20 -1.14 120.51 119.79 1yl4 n ALA 30 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1yl4 n ALA 30 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1yl4 n ALA 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yl4 n LEU 31 N -5.23 0.00 -0.33 0.00 4.32 0.03 -0.95 117.00 114.84 1yl4 n LEU 31 Ca 0.05 0.38 0.01 0.00 -0.02 0.00 0.00 56.01 56.44 1yl4 n LEU 31 Cb 0.30 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.17 1yl4 n LEU 31 CO -0.13 0.00 0.54 0.18 -1.22 0.00 0.00 177.39 176.75 1yl4 n LEU 32 N -0.69 -0.47 -0.15 2.23 4.77 0.30 0.39 117.00 123.37 1yl4 n LEU 32 Ca 0.00 1.52 -0.08 0.00 -0.03 0.00 0.00 56.01 57.42 1yl4 n LEU 32 Cb 0.00 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1yl4 n LEU 32 CO 0.00 -1.40 1.04 0.74 -1.33 0.00 0.00 177.39 176.44 1yl4 h THR 33 N 0.00 1.14 -0.21 -5.08 2.02 -0.76 0.82 112.91 110.84 1yl4 h THR 33 Ca 0.35 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1yl4 h THR 33 Cb 0.57 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1yl4 h THR 33 CO -0.88 0.14 -0.40 0.25 0.37 0.00 0.00 175.52 175.00 1yl4 h LEU 34 N 0.61 -1.31 -0.75 2.58 6.46 0.18 0.47 115.31 123.55 1yl4 h LEU 34 Ca 0.16 0.16 0.16 0.00 -0.12 0.00 0.00 57.88 58.25 1yl4 h LEU 34 Cb -0.01 0.53 -0.14 0.00 -0.73 0.00 0.00 40.66 40.30 1yl4 h LEU 34 CO -0.03 -0.32 -0.13 0.03 -0.62 0.00 0.00 178.44 177.37 1yl4 h ARG 35 N -0.34 0.02 0.00 1.25 3.08 -0.76 -0.48 114.38 117.15 1yl4 h ARG 35 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1yl4 h ARG 35 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1yl4 h ARG 35 CO -0.38 0.02 0.00 -0.89 -1.07 0.00 0.00 179.97 177.64 1yl4 n ILE 36 N -5.46 0.00 -0.12 2.04 5.41 0.25 -0.74 119.36 120.73 1yl4 n ILE 36 Ca 0.11 1.33 -0.09 0.00 1.00 0.00 0.00 62.75 65.10 1yl4 n ILE 36 Cb 0.41 -1.92 -0.04 0.00 -0.71 0.00 0.00 39.64 37.38 1yl4 n ILE 36 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1yl4 h ASN 37 N 0.00 -1.34 -0.41 4.38 -0.26 0.53 -0.44 115.58 118.03 1yl4 h ASN 37 Ca 0.00 0.21 0.07 0.00 -0.56 0.00 0.00 56.30 56.02 1yl4 h ASN 37 Cb 0.00 0.60 -0.06 0.00 -1.06 0.00 0.00 38.32 37.80 1yl4 h ASN 37 CO 0.00 -0.36 0.06 0.08 -1.06 0.00 0.00 177.43 176.15 1yl4 h ARG 38 N -0.31 0.17 0.18 0.81 -0.00 -1.15 -0.68 114.38 113.39 1yl4 h ARG 38 Ca 0.15 -0.01 0.01 0.00 -0.00 0.00 0.00 59.98 60.13 1yl4 h ARG 38 Cb 0.58 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.97 30.46 1yl4 h ARG 38 CO -0.57 0.11 -0.48 1.25 -0.00 0.00 0.00 179.97 180.29 1yl4 h LEU 39 N 0.18 -1.42 0.19 0.08 6.46 0.23 -0.80 115.31 120.23 1yl4 h LEU 39 Ca 0.20 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1yl4 h LEU 39 Cb 0.26 0.52 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 1yl4 h LEU 39 CO -0.29 -0.55 -0.36 0.28 -0.62 0.00 0.00 178.44 176.90 1yl4 h SER 40 N -0.75 -1.03 -0.68 1.25 0.02 -0.78 0.65 113.55 112.23 1yl4 h SER 40 Ca -0.00 0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1yl4 h SER 40 Cb 0.75 0.38 -0.08 0.00 0.14 0.00 0.00 62.40 63.58 1yl4 h SER 40 CO -0.24 -0.46 -0.40 1.21 -1.14 0.00 0.00 176.83 175.80 1yl4 n GLU 41 N -5.45 -0.30 -0.11 3.45 4.07 -0.29 0.28 120.64 122.29 1yl4 n GLU 41 Ca -0.08 1.07 -0.05 0.00 -0.06 0.00 0.00 57.16 58.04 1yl4 n GLU 41 Cb 0.36 -1.57 -0.04 0.00 -0.06 0.00 0.00 31.44 30.12 1yl4 n GLU 41 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1yl4 h HIS 42 N 0.00 -0.72 -0.76 4.31 2.76 0.51 -2.34 115.15 118.91 1yl4 h HIS 42 Ca 0.11 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.43 1yl4 h HIS 42 Cb 0.28 0.35 -0.11 0.00 1.55 0.00 0.00 27.41 29.48 1yl4 h HIS 42 CO -0.74 -0.18 -0.33 1.28 -1.30 0.00 0.00 177.93 176.67 1yl4 n LEU 43 N -3.84 -0.56 -0.06 0.26 4.77 0.79 -1.99 117.00 116.38 1yl4 n LEU 43 Ca -0.00 1.33 -0.04 0.00 -0.03 0.00 0.00 56.01 57.27 1yl4 n LEU 43 Cb 0.12 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1yl4 n LEU 43 CO -0.03 -1.17 0.50 0.11 -1.33 0.00 0.00 177.39 175.47 1yl4 h LYS 44 N 0.00 -0.08 -7.26 3.23 1.57 -0.59 -2.91 116.57 110.53 1yl4 h LYS 44 Ca 0.23 0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 58.57 1yl4 h LYS 44 Cb 0.42 0.02 0.18 0.00 0.08 0.00 0.00 32.23 32.93 1yl4 h LYS 44 CO -0.74 -0.05 0.12 0.08 -0.57 0.00 0.00 179.45 178.29 1yl4 s VAL 45 N -3.70 2.09 -1.81 0.50 1.01 -0.84 -1.10 120.40 116.55 1yl4 s VAL 45 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1yl4 s VAL 45 Cb 0.02 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1yl4 s VAL 45 CO 0.17 -0.04 0.00 1.57 0.00 0.00 0.00 175.10 176.80 1yl4 n HIS 46 N -4.49 -0.50 0.06 5.22 -0.00 -1.26 -4.68 115.22 109.58 1yl4 n HIS 46 Ca 0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.79 1yl4 n HIS 46 Cb 0.56 -3.50 0.03 0.00 -0.00 0.00 0.00 29.99 27.08 1yl4 n HIS 46 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1yl4 n LYS 47 N -2.66 0.01 -2.82 1.57 5.02 -0.26 -1.90 118.16 117.11 1yl4 n LYS 47 Ca -0.21 0.30 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 1yl4 n LYS 47 Cb 0.65 -0.79 -0.02 0.00 -0.02 0.00 0.00 35.03 34.85 1yl4 n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yl4 n LYS 48 N -1.30 2.87 -1.59 1.97 5.02 -1.26 -4.87 118.16 118.99 1yl4 n LYS 48 Ca 0.02 -4.47 -0.34 0.00 -2.02 0.00 0.00 58.31 51.50 1yl4 n LYS 48 Cb 0.35 -2.11 0.03 0.00 -0.02 0.00 0.00 35.03 33.28 1yl4 n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1yl4 n ASP 49 N -0.23 7.30 -0.31 4.39 -0.08 -0.80 -4.86 116.55 121.96 1yl4 n ASP 49 Ca 0.31 -3.64 -0.06 0.00 -1.51 0.00 0.00 54.79 49.88 1yl4 n ASP 49 Cb 0.53 -1.07 -0.05 0.00 2.34 0.00 0.00 41.12 42.87 1yl4 n ASP 49 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1yl4 n HIS 50 N -0.31 -0.23 -0.15 -0.67 8.25 -1.26 -0.88 115.22 119.97 1yl4 n HIS 50 Ca 0.53 0.93 -0.11 0.00 -0.26 0.00 0.00 57.72 58.81 1yl4 n HIS 50 Cb 0.44 -0.62 -0.08 0.00 1.12 0.00 0.00 29.99 30.84 1yl4 n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yl4 h HIS 51 N 0.00 -1.45 -0.15 4.41 3.86 -2.00 -0.60 115.15 119.22 1yl4 h HIS 51 Ca 0.16 0.08 0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1yl4 h HIS 51 Cb 0.34 0.69 -0.07 0.00 1.06 0.00 0.00 27.41 29.43 1yl4 h HIS 51 CO -0.73 -0.39 -0.35 0.77 0.86 0.00 0.00 177.93 178.08 1yl4 h SER 52 N -0.28 -1.11 -0.64 2.45 0.02 -1.52 -1.45 113.55 111.02 1yl4 h SER 52 Ca 0.07 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1yl4 h SER 52 Cb 0.47 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 63.38 1yl4 h SER 52 CO -0.54 -0.38 -0.57 -0.74 -1.14 0.00 0.00 176.83 173.46 1yl4 h HIS 53 N -0.42 -1.77 -0.86 3.45 6.17 -0.32 0.07 115.15 121.47 1yl4 h HIS 53 Ca 0.10 0.10 0.09 0.00 0.71 0.00 0.00 60.37 61.36 1yl4 h HIS 53 Cb 0.57 0.86 -0.12 0.00 2.52 0.00 0.00 27.41 31.24 1yl4 h HIS 53 CO -0.44 -0.44 -0.56 -0.09 0.71 0.00 0.00 177.93 177.10 1yl4 h ARG 54 N -0.24 -0.09 -0.15 5.26 1.12 -0.13 0.32 114.38 120.47 1yl4 h ARG 54 Ca 0.11 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 59.02 1yl4 h ARG 54 Cb 0.53 0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.44 1yl4 h ARG 54 CO -0.73 -0.06 -0.53 0.78 -3.11 0.00 0.00 179.97 176.32 1yl4 h GLY 55 N -0.09 -1.04 -0.67 2.80 0.00 -0.25 0.25 103.07 104.08 1yl4 h GLY 55 Ca 0.16 0.67 0.11 0.00 0.00 0.00 0.00 47.33 48.27 1yl4 h GLY 55 CO -0.86 -0.20 -0.25 -0.10 0.00 0.00 0.00 176.54 175.13 1yl4 n LEU 56 N -5.43 -0.41 0.05 3.11 7.94 0.90 0.10 117.00 123.26 1yl4 n LEU 56 Ca -0.06 1.17 -0.14 0.00 -1.11 0.00 0.00 56.01 55.88 1yl4 n LEU 56 Cb 0.38 -0.28 -0.09 0.00 0.53 0.00 0.00 43.42 43.96 1yl4 n LEU 56 CO 0.08 -1.06 0.51 -0.07 -1.11 0.00 0.00 177.39 175.74 1yl4 h LEU 57 N 0.00 -1.43 -0.94 -1.96 4.07 0.16 0.23 115.31 115.45 1yl4 h LEU 57 Ca 0.25 0.16 0.27 0.00 0.08 0.00 0.00 57.88 58.64 1yl4 h LEU 57 Cb 0.41 0.54 -0.17 0.00 1.08 0.00 0.00 40.66 42.53 1yl4 h LEU 57 CO -0.67 -0.45 0.15 0.24 -1.08 0.00 0.00 178.44 176.63 1yl4 h MET 58 N -0.58 0.07 -0.11 1.13 2.86 0.20 0.23 114.93 118.74 1yl4 h MET 58 Ca 0.01 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1yl4 h MET 58 Cb 0.62 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 1yl4 h MET 58 CO -0.31 0.05 -0.10 1.98 1.06 0.00 0.00 176.91 179.59 1yl4 h MET 59 N 0.08 -0.11 -0.78 1.72 1.85 0.75 0.39 114.93 118.82 1yl4 h MET 59 Ca 0.60 0.01 0.18 0.00 -0.61 0.00 0.00 59.70 59.88 1yl4 h MET 59 Cb 1.28 0.03 -0.12 0.00 0.43 0.00 0.00 31.60 33.22 1yl4 h MET 59 CO -0.80 -0.08 0.19 0.28 -0.40 0.00 0.00 176.91 176.10 1yl4 h VAL 60 N -0.12 0.45 -0.19 -5.77 2.07 0.92 -0.12 116.25 113.49 1yl4 h VAL 60 Ca 0.08 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1yl4 h VAL 60 Cb 0.23 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1yl4 h VAL 60 CO -0.19 0.05 -0.18 1.23 0.02 0.00 0.00 177.57 178.50 1yl4 h GLY 61 N 0.25 -1.85 -0.28 2.17 0.00 0.13 -0.71 103.07 102.79 1yl4 h GLY 61 Ca 0.46 0.90 0.12 0.00 0.00 0.00 0.00 47.33 48.80 1yl4 h GLY 61 CO -0.56 -0.61 -0.20 -1.61 0.00 0.00 0.00 176.54 173.55 1yl4 h GLN 62 N -0.08 -0.05 -0.81 4.80 5.75 0.21 0.32 115.11 125.24 1yl4 h GLN 62 Ca 0.03 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.61 1yl4 h GLN 62 Cb 0.16 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 28.63 1yl4 h GLN 62 CO -0.22 -0.04 -0.49 0.00 -2.65 0.00 0.00 178.83 175.43 1yl4 h ARG 63 N -0.05 -0.01 0.00 1.69 3.08 -0.29 -0.94 114.38 117.86 1yl4 h ARG 63 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1yl4 h ARG 63 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yl4 h ARG 63 CO -0.64 -0.01 0.00 2.89 -1.07 0.00 0.00 179.97 181.14 1yl4 n ARG 64 N -4.86 0.00 -0.49 0.04 1.85 -0.02 -1.45 116.66 111.73 1yl4 n ARG 64 Ca 0.01 0.66 0.41 0.00 -1.00 0.00 0.00 57.85 57.93 1yl4 n ARG 64 Cb 0.22 -1.40 0.68 0.00 -1.05 0.00 0.00 32.46 30.90 1yl4 n ARG 64 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1yl4 n ARG 65 N -2.18 -0.03 0.00 2.89 1.74 -0.51 0.95 116.66 119.52 1yl4 n ARG 65 Ca 0.00 1.20 0.00 0.00 -0.77 0.00 0.00 57.85 58.28 1yl4 n ARG 65 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 1yl4 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1yl4 n LEU 66 N -4.56 0.00 -0.24 0.55 7.99 -0.42 -0.93 117.00 119.39 1yl4 n LEU 66 Ca 0.40 0.95 0.00 0.00 -0.01 0.00 0.00 56.01 57.36 1yl4 n LEU 66 Cb 1.58 -0.47 0.04 0.00 -0.11 0.00 0.00 43.42 44.46 1yl4 n LEU 66 CO 0.21 -0.47 0.38 0.18 -1.51 0.00 0.00 177.39 176.18 1yl4 n LEU 67 N -1.90 -0.36 0.00 2.23 4.77 0.27 0.37 117.00 122.37 1yl4 n LEU 67 Ca 0.00 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1yl4 n LEU 67 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1yl4 n LEU 67 CO 0.00 -1.00 0.12 -1.14 -1.33 0.00 0.00 177.39 174.04 1yl4 n ARG 68 N -4.95 0.00 -0.17 3.23 0.63 0.03 0.11 116.66 115.54 1yl4 n ARG 68 Ca 0.07 0.24 -0.04 0.00 -0.92 0.00 0.00 57.85 57.20 1yl4 n ARG 68 Cb 0.27 -0.64 -0.04 0.00 0.45 0.00 0.00 32.46 32.49 1yl4 n ARG 68 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1yl4 n TYR 69 N -0.54 -0.18 0.00 -0.14 9.36 0.16 0.04 117.16 125.86 1yl4 n TYR 69 Ca 0.00 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.73 1yl4 n TYR 69 Cb 0.00 -0.48 0.00 0.00 -0.63 0.00 0.00 39.34 38.23 1yl4 n TYR 69 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1yl4 n LEU 70 N -4.19 0.00 -0.29 2.98 7.94 0.31 0.21 117.00 123.96 1yl4 n LEU 70 Ca 0.01 0.83 0.06 0.00 -1.11 0.00 0.00 56.01 55.80 1yl4 n LEU 70 Cb 0.11 -0.38 0.17 0.00 0.53 0.00 0.00 43.42 43.84 1yl4 n LEU 70 CO -0.06 -0.38 0.78 -0.61 -1.11 0.00 0.00 177.39 176.01 1yl4 h GLN 71 N 0.00 0.05 -0.68 1.96 4.15 0.16 0.52 115.11 121.27 1yl4 h GLN 71 Ca 0.00 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.52 1yl4 h GLN 71 Cb 0.00 -0.01 -0.12 0.00 0.21 0.00 0.00 27.48 27.56 1yl4 h GLN 71 CO 0.00 0.04 -0.39 -0.09 -1.93 0.00 0.00 178.83 176.45 1yl4 h ARG 72 N 0.06 -0.14 0.00 1.69 2.43 0.44 -2.15 114.38 116.71 1yl4 h ARG 72 Ca 0.45 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1yl4 h ARG 72 Cb 0.79 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1yl4 h ARG 72 CO -0.77 -0.10 0.00 0.39 -1.51 0.00 0.00 179.97 177.98 1yl4 n GLU 73 N -5.42 0.00 -3.48 0.20 -0.58 0.16 -4.71 120.64 106.81 1yl4 n GLU 73 Ca 0.04 0.48 -0.27 0.00 -0.42 0.00 0.00 57.16 56.99 1yl4 n GLU 73 Cb 0.36 -1.23 -0.11 0.00 -0.57 0.00 0.00 31.44 29.89 1yl4 n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1yl4 s ASP 74 N -2.47 2.15 0.04 1.62 2.15 -0.13 -4.90 116.67 115.13 1yl4 s ASP 74 Ca 0.00 -3.05 0.01 0.00 0.43 0.00 0.00 52.55 49.94 1yl4 s ASP 74 Cb 0.00 -0.62 0.07 0.00 -0.30 0.00 0.00 42.92 42.07 1yl4 s ASP 74 CO 0.00 -0.18 0.79 -0.81 -0.17 0.00 0.00 175.17 174.80 1yl4 n PRO 75 N 2.90 0.01 0.00 4.34 -0.04 -0.81 -2.34 135.00 139.06 1yl4 n PRO 75 Ca 0.25 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1yl4 n PRO 75 Cb 0.44 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1yl4 n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yl4 n GLU 76 N -1.32 0.00 0.00 0.54 4.07 -1.26 0.52 120.64 123.19 1yl4 n GLU 76 Ca -0.00 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1yl4 n GLU 76 Cb 0.28 -0.95 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 1yl4 n GLU 76 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1yl4 n ARG 77 N -0.46 0.00 0.04 5.31 1.74 -0.99 0.71 116.66 123.02 1yl4 n ARG 77 Ca 0.00 0.31 -0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1yl4 n ARG 77 Cb 0.00 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 29.84 1yl4 n ARG 77 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1yl4 h TYR 78 N 0.00 -0.15 -0.63 -1.55 3.20 -1.10 0.12 116.97 116.86 1yl4 h TYR 78 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1yl4 h TYR 78 Cb 0.03 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1yl4 h TYR 78 CO 0.00 0.30 0.42 0.00 -1.64 0.00 0.00 178.16 177.24 1yl4 h ARG 79 N -0.71 0.83 -0.01 1.82 3.08 0.56 0.19 114.38 120.14 1yl4 h ARG 79 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1yl4 h ARG 79 Cb 0.53 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1yl4 h ARG 79 CO 0.03 0.55 -0.06 0.00 -1.07 0.00 0.00 179.97 179.42 1yl4 h ALA 80 N 1.23 -0.50 -0.23 0.04 0.00 -0.95 0.29 119.26 119.15 1yl4 h ALA 80 Ca 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1yl4 h ALA 80 Cb -0.09 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1yl4 h ALA 80 CO -0.05 -0.52 -0.43 1.25 0.00 0.00 0.00 179.25 179.49 1yl4 h LEU 81 N -0.06 -1.42 0.00 0.00 6.46 -0.64 -0.53 115.31 119.11 1yl4 h LEU 81 Ca 0.00 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1yl4 h LEU 81 Cb 0.07 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1yl4 h LEU 81 CO -0.04 -0.34 0.00 -0.38 -0.62 0.00 0.00 178.44 177.05 1yl4 n ILE 82 N -4.80 0.00 -0.21 4.05 5.41 0.65 0.18 119.36 124.64 1yl4 n ILE 82 Ca -0.04 0.58 -0.10 0.00 1.00 0.00 0.00 62.75 64.19 1yl4 n ILE 82 Cb 0.28 -0.81 -0.08 0.00 -0.71 0.00 0.00 39.64 38.33 1yl4 n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1yl4 h GLU 83 N 0.00 -0.15 -0.74 0.38 4.22 -0.11 0.14 114.58 118.32 1yl4 h GLU 83 Ca 0.00 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.54 1yl4 h GLU 83 Cb 0.00 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 1yl4 h GLU 83 CO 0.00 -0.10 -0.38 1.17 -2.18 0.00 0.00 179.01 177.52 1yl4 n LYS 84 N -4.73 -0.27 -0.04 1.92 4.81 0.49 -1.12 118.16 119.22 1yl4 n LYS 84 Ca -0.01 1.13 -0.13 0.00 -0.87 0.00 0.00 58.31 58.44 1yl4 n LYS 84 Cb 0.23 -1.66 -0.07 0.00 0.02 0.00 0.00 35.03 33.54 1yl4 n LYS 84 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yl4 h LEU 85 N 0.00 0.26 0.00 3.14 3.38 0.12 -3.48 115.31 118.73 1yl4 h LEU 85 Ca 0.17 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1yl4 h LEU 85 Cb 0.36 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1yl4 h LEU 85 CO -0.71 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1yl4 n GLY 86 N 0.04 1.00 3.80 0.83 0.00 0.26 -5.08 105.19 106.03 1yl4 n GLY 86 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1yl4 n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yl4 s ILE 87 N -2.00 3.87 0.00 -0.61 1.09 -1.26 -4.80 121.20 117.49 1yl4 s ILE 87 Ca 0.00 1.21 0.00 0.00 -1.10 0.00 0.00 60.65 60.76 1yl4 s ILE 87 Cb 0.00 -3.52 0.00 0.00 -1.06 0.00 0.00 42.46 37.88 1yl4 s ILE 87 CO 0.00 -0.20 0.00 0.54 -0.10 0.00 0.00 174.94 175.18 1yl4 n ARG 88 N -0.75 0.00 0.00 2.79 5.12 -1.26 -4.88 116.66 117.68 1yl4 n ARG 88 Ca 0.08 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 1yl4 n ARG 88 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 1yl4 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11