#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s0y s MET 3 N 0.00 2.92 -0.02 0.54 -1.94 -1.26 -0.33 119.30 119.21 1s0y s MET 3 Ca 0.00 -0.71 0.04 0.00 -1.71 0.00 0.00 55.69 53.31 1s0y s MET 3 Cb 0.00 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.36 1s0y s MET 3 CO 0.00 0.41 -0.15 0.42 -0.01 0.00 0.00 175.02 175.70 1s0y s ILE 4 N -0.18 1.18 0.03 2.53 1.01 0.17 -4.95 121.20 120.99 1s0y s ILE 4 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1s0y s ILE 4 Cb -0.13 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1s0y s ILE 4 CO 0.03 0.34 -0.14 -0.94 0.00 0.00 0.00 174.94 174.24 1s0y s SER 5 N -0.23 1.59 -0.25 3.58 1.04 -1.26 -0.65 113.70 117.53 1s0y s SER 5 Ca 0.03 -0.40 -0.02 0.00 0.48 0.00 0.00 55.95 56.05 1s0y s SER 5 Cb -0.07 -0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.01 1s0y s SER 5 CO -0.00 0.06 0.06 0.00 0.98 0.00 0.00 173.24 174.34 1s0y s ASP 7 N 1.76 6.32 0.10 0.00 1.01 -1.26 -1.49 116.67 123.11 1s0y s ASP 7 Ca 0.03 -0.39 0.01 0.00 0.71 0.00 0.00 52.55 52.91 1s0y s ASP 7 Cb -0.17 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1s0y s ASP 7 CO -0.16 -1.33 -0.03 0.00 0.21 0.00 0.00 175.17 173.85 1s0y s MET 8 N 4.22 0.83 0.66 8.23 0.23 0.39 -4.96 119.30 128.91 1s0y s MET 8 Ca 0.31 -1.35 -0.18 0.00 -1.03 0.00 0.00 55.69 53.44 1s0y s MET 8 Cb -0.12 -0.04 -0.00 0.00 -1.53 0.00 0.00 34.83 33.14 1s0y s MET 8 CO 0.18 -0.10 1.29 1.03 -2.03 0.00 0.00 175.02 175.39 1s0y s ARG 9 N -3.90 2.47 1.07 3.16 0.52 -1.26 -3.01 118.95 118.00 1s0y s ARG 9 Ca 0.14 2.04 -0.12 0.00 -0.52 0.00 0.00 55.73 57.27 1s0y s ARG 9 Cb 0.06 -1.84 0.23 0.00 0.52 0.00 0.00 34.95 33.93 1s0y s ARG 9 CO -0.04 -1.66 1.06 0.71 0.02 0.00 0.00 175.30 175.40 1s0y s TYR 10 N -1.46 1.54 0.00 -0.53 1.51 -0.03 -4.34 117.35 114.04 1s0y s TYR 10 Ca 0.82 1.32 0.00 0.00 -1.01 0.00 0.00 57.07 58.20 1s0y s TYR 10 Cb -0.37 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.31 1s0y s TYR 10 CO 0.41 -3.45 0.00 0.41 -1.11 0.00 0.00 175.55 171.81 1s0y n GLY 11 N 0.39 1.60 3.75 0.71 0.00 -1.26 -4.28 105.19 106.10 1s0y n GLY 11 Ca 0.06 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1s0y n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s0y s ARG 12 N 0.00 4.13 0.78 1.61 3.00 -1.26 -4.60 118.95 122.62 1s0y s ARG 12 Ca 0.00 2.56 -0.11 0.00 0.00 0.00 0.00 55.73 58.17 1s0y s ARG 12 Cb 0.00 -3.02 0.06 0.00 0.00 0.00 0.00 34.95 31.99 1s0y s ARG 12 CO 0.00 -0.60 1.09 0.95 0.00 0.00 0.00 175.30 176.74 1s0y s THR 13 N -0.17 3.18 0.25 0.02 -4.23 -1.26 -4.89 115.64 108.55 1s0y s THR 13 Ca 0.61 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 61.46 1s0y s THR 13 Cb -0.47 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 70.47 1s0y s THR 13 CO 0.50 -0.50 1.90 0.44 -0.54 0.00 0.00 174.62 176.41 1s0y h ASP 14 N -1.02 1.04 0.05 3.99 3.45 -1.99 -1.75 116.42 120.18 1s0y h ASP 14 Ca -0.47 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.00 1s0y h ASP 14 Cb 1.26 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 1s0y h ASP 14 CO 0.59 0.71 -0.08 -0.33 -1.57 0.00 0.00 179.24 178.56 1s0y h GLU 15 N 1.21 -0.16 -0.37 3.56 5.08 -2.00 -2.18 114.58 119.71 1s0y h GLU 15 Ca 0.39 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.78 1s0y h GLU 15 Cb 0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1s0y h GLU 15 CO -0.13 -0.11 0.25 1.96 -1.00 0.00 0.00 179.01 179.98 1s0y h GLN 16 N -0.17 0.41 -0.04 2.33 4.20 -1.80 -2.47 115.11 117.57 1s0y h GLN 16 Ca 0.02 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 1s0y h GLN 16 Cb 0.19 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1s0y h GLN 16 CO -0.05 0.27 -0.73 0.87 -0.67 0.00 0.00 178.83 178.52 1s0y h LYS 17 N 0.42 0.26 0.00 1.46 1.57 -0.77 -0.86 116.57 118.65 1s0y h LYS 17 Ca 0.15 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1s0y h LYS 17 Cb 0.07 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1s0y h LYS 17 CO -0.03 0.88 -0.43 0.07 -0.57 0.00 0.00 179.45 179.37 1s0y h ARG 18 N 0.17 0.00 -0.10 3.15 0.11 -1.17 -0.83 114.38 115.72 1s0y h ARG 18 Ca -0.03 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.87 1s0y h ARG 18 Cb 1.30 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.39 1s0y h ARG 18 CO 0.12 0.43 -0.68 0.00 0.10 0.00 0.00 179.97 179.93 1s0y h ALA 19 N 1.57 0.21 0.19 0.08 0.00 -1.39 0.56 119.26 120.48 1s0y h ALA 19 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1s0y h ALA 19 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1s0y h ALA 19 CO 0.06 0.52 -0.09 1.25 0.00 0.00 0.00 179.25 180.98 1s0y h LEU 20 N 0.27 -0.22 -0.60 0.00 5.85 -1.05 -1.18 115.31 118.39 1s0y h LEU 20 Ca -0.06 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1s0y h LEU 20 Cb 1.33 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1s0y h LEU 20 CO 0.14 -0.13 0.25 0.77 -0.34 0.00 0.00 178.44 179.13 1s0y h SER 21 N -0.28 0.81 -0.90 1.25 4.64 -1.16 0.38 113.55 118.29 1s0y h SER 21 Ca -0.03 -0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1s0y h SER 21 Cb 0.22 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.04 1s0y h SER 21 CO 0.04 0.75 0.57 0.00 -0.87 0.00 0.00 176.83 177.32 1s0y h ALA 22 N 1.09 1.22 0.04 5.18 0.00 -0.75 0.72 119.26 126.78 1s0y h ALA 22 Ca 0.20 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1s0y h ALA 22 Cb 0.18 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.72 1s0y h ALA 22 CO -0.02 0.35 -0.77 0.78 0.00 0.00 0.00 179.25 179.59 1s0y h GLY 23 N 1.05 0.50 0.97 0.00 0.00 -0.75 -2.75 103.07 102.09 1s0y h GLY 23 Ca 0.38 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1s0y h GLY 23 CO -0.16 0.84 0.22 1.41 0.00 0.00 0.00 176.54 178.86 1s0y h LEU 24 N -0.06 0.62 -0.92 3.11 4.07 -0.01 -2.38 115.31 119.74 1s0y h LEU 24 Ca -0.11 -0.13 -0.09 0.00 0.08 0.00 0.00 57.88 57.63 1s0y h LEU 24 Cb 1.49 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 43.06 1s0y h LEU 24 CO 0.15 0.57 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.88 1s0y h LEU 25 N 0.61 0.64 0.57 1.67 4.07 -0.97 -2.47 115.31 119.44 1s0y h LEU 25 Ca 0.16 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1s0y h LEU 25 Cb 0.12 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 41.70 1s0y h LEU 25 CO -0.02 0.79 -0.27 -0.09 -1.08 0.00 0.00 178.44 177.77 1s0y h ARG 26 N 0.59 -0.74 -0.26 1.13 2.43 -1.18 0.34 114.38 116.70 1s0y h ARG 26 Ca 0.10 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1s0y h ARG 26 Cb 0.57 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1s0y h ARG 26 CO 0.04 -0.45 0.11 -0.39 -1.51 0.00 0.00 179.97 177.77 1s0y h VAL 27 N -0.88 1.10 -0.10 0.20 -1.51 -1.46 0.25 116.25 113.85 1s0y h VAL 27 Ca -0.08 -0.30 -0.18 0.00 -1.23 0.00 0.00 66.70 64.90 1s0y h VAL 27 Cb 0.63 0.78 0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1s0y h VAL 27 CO 0.13 0.12 -0.66 0.40 -1.23 0.00 0.00 177.57 176.33 1s0y h ILE 28 N 0.36 1.33 0.00 7.19 1.08 -1.34 -1.13 117.51 125.00 1s0y h ILE 28 Ca 0.09 -1.94 -0.10 0.00 -0.39 0.00 0.00 64.86 62.52 1s0y h ILE 28 Cb 0.06 2.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1s0y h ILE 28 CO -0.01 0.59 -0.47 -1.28 -0.69 0.00 0.00 178.15 176.30 1s0y h SER 29 N 0.27 0.00 -0.17 1.72 0.87 -0.54 0.84 113.55 116.54 1s0y h SER 29 Ca -0.05 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 1s0y h SER 29 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1s0y h SER 29 CO 0.14 0.47 -0.60 -0.08 -0.53 0.00 0.00 176.83 176.22 1s0y h GLU 30 N 0.00 0.77 0.00 2.24 4.81 -0.42 0.47 114.58 122.45 1s0y h GLU 30 Ca -0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1s0y h GLU 30 Cb 0.85 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1s0y h GLU 30 CO 0.06 1.15 -0.87 0.00 -0.73 0.00 0.00 179.01 178.62 1s0y h ALA 31 N 0.73 0.54 0.00 2.92 0.00 -1.04 -3.36 119.26 119.06 1s0y h ALA 31 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1s0y h ALA 31 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1s0y h ALA 31 CO 0.13 0.00 -1.97 2.41 0.00 0.00 0.00 179.25 179.81 1s0y n THR 32 N -2.57 0.19 -1.22 0.00 -1.04 0.27 -4.96 114.28 104.95 1s0y n THR 32 Ca 0.01 -0.51 -0.08 0.00 -2.04 0.00 0.00 64.05 61.43 1s0y n THR 32 Cb 0.52 -0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 1s0y n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s0y n GLY 33 N 1.43 0.92 3.80 3.41 0.00 0.16 -4.97 105.19 109.94 1s0y n GLY 33 Ca -0.08 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1s0y n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s0y s GLU 34 N -2.35 4.10 0.78 1.61 2.56 -1.15 -5.04 118.70 119.21 1s0y s GLU 34 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 54.97 55.35 1s0y s GLU 34 Cb 0.00 -3.28 0.07 0.00 2.00 0.00 0.00 34.13 32.92 1s0y s GLU 34 CO 0.00 0.54 1.14 -1.25 -0.56 0.00 0.00 175.26 175.13 1s0y s PRO 35 N -0.64 1.96 0.22 4.30 0.04 -1.26 -4.46 135.00 135.17 1s0y s PRO 35 Ca 0.26 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 1s0y s PRO 35 Cb -0.17 -1.84 0.19 0.00 0.04 0.00 0.00 34.50 32.72 1s0y s PRO 35 CO 0.14 -1.92 1.86 0.07 0.04 0.00 0.00 177.00 177.19 1s0y h ARG 36 N -0.90 1.16 0.00 4.56 -0.00 -1.96 -1.53 114.38 115.71 1s0y h ARG 36 Ca -0.45 -0.11 0.00 0.00 -0.00 0.00 0.00 59.98 59.42 1s0y h ARG 36 Cb 1.26 -0.24 0.00 0.00 -0.00 0.00 0.00 29.97 30.99 1s0y h ARG 36 CO 0.48 0.83 0.00 -0.85 -0.00 0.00 0.00 179.97 180.43 1s0y n GLU 37 N -4.42 0.02 -0.70 0.08 0.00 -1.26 -1.27 120.64 113.09 1s0y n GLU 37 Ca 0.09 0.45 0.06 0.00 0.00 0.00 0.00 57.16 57.76 1s0y n GLU 37 Cb 0.07 -1.55 0.33 0.00 0.00 0.00 0.00 31.44 30.28 1s0y n GLU 37 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1s0y n ASN 38 N -1.59 4.73 -4.29 -1.84 2.04 -0.58 -4.94 115.26 108.79 1s0y n ASN 38 Ca 0.01 -3.03 -0.31 0.00 -0.44 0.00 0.00 54.58 50.81 1s0y n ASN 38 Cb 0.05 -0.63 -0.16 0.00 -2.53 0.00 0.00 39.78 36.51 1s0y n ASN 38 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1s0y s ILE 39 N -2.84 2.03 -0.03 1.53 1.01 -0.40 -1.53 121.20 120.97 1s0y s ILE 39 Ca 0.49 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1s0y s ILE 39 Cb 0.39 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1s0y s ILE 39 CO 0.12 0.57 -0.23 0.12 0.00 0.00 0.00 174.94 175.52 1s0y s PHE 40 N -0.45 2.43 -0.01 3.97 5.36 0.56 -4.96 117.98 124.87 1s0y s PHE 40 Ca 0.05 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.66 1s0y s PHE 40 Cb -0.11 -1.53 0.01 0.00 -0.34 0.00 0.00 43.02 41.04 1s0y s PHE 40 CO 0.01 0.02 -0.00 0.12 -1.46 0.00 0.00 175.22 173.90 1s0y s PHE 41 N -0.64 0.13 -0.01 10.12 5.36 -1.25 0.43 117.98 132.11 1s0y s PHE 41 Ca 0.10 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 1s0y s PHE 41 Cb -0.10 -0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.44 1s0y s PHE 41 CO -0.01 -0.04 -0.00 0.54 -1.46 0.00 0.00 175.22 174.26 1s0y s VAL 42 N 0.32 0.08 -0.23 3.12 0.11 0.17 -4.97 120.40 119.01 1s0y s VAL 42 Ca -0.03 0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1s0y s VAL 42 Cb -0.05 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1s0y s VAL 42 CO -0.01 0.06 0.06 -0.63 -3.33 0.00 0.00 175.10 171.25 1s0y s ILE 43 N 0.38 4.34 -0.12 7.04 1.01 -1.26 -0.55 121.20 132.04 1s0y s ILE 43 Ca -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1s0y s ILE 43 Cb -0.05 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1s0y s ILE 43 CO -0.01 0.38 -0.01 -0.13 0.00 0.00 0.00 174.94 175.17 1s0y s ARG 44 N 1.24 3.32 0.08 2.79 0.52 -0.55 -4.96 118.95 121.40 1s0y s ARG 44 Ca 0.04 -0.44 0.09 0.00 -0.52 0.00 0.00 55.73 54.91 1s0y s ARG 44 Cb -0.15 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1s0y s ARG 44 CO 0.03 0.50 -0.24 -1.21 0.02 0.00 0.00 175.30 174.40 1s0y s GLU 45 N -0.33 1.40 0.34 3.54 2.02 -1.25 -0.46 118.70 123.96 1s0y s GLU 45 Ca 0.06 -1.15 -0.05 0.00 0.02 0.00 0.00 54.97 53.85 1s0y s GLU 45 Cb -0.12 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1s0y s GLU 45 CO 0.02 0.41 0.52 0.20 0.02 0.00 0.00 175.26 176.43 1s0y s GLY 46 N -1.63 1.22 0.58 -1.39 0.00 -1.16 -4.87 107.32 100.07 1s0y s GLY 46 Ca 0.10 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.33 1s0y s GLY 46 CO 0.04 -0.86 1.03 -0.56 0.00 0.00 0.00 173.10 172.75 1s0y s SER 47 N -3.19 6.03 0.32 1.64 0.01 -1.26 -0.85 113.70 116.40 1s0y s SER 47 Ca 0.28 1.70 0.03 0.00 1.31 0.00 0.00 55.95 59.26 1s0y s SER 47 Cb -0.01 -2.52 0.62 0.00 0.21 0.00 0.00 66.02 64.32 1s0y s SER 47 CO 0.18 -1.00 1.91 1.23 0.41 0.00 0.00 173.24 175.97 1s0y h GLY 48 N 0.42 1.25 1.45 3.44 0.00 -1.77 0.16 103.07 108.03 1s0y h GLY 48 Ca -0.46 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 46.55 1s0y h GLY 48 CO 0.59 0.24 0.22 1.19 0.00 0.00 0.00 176.54 178.78 1s0y h ILE 49 N 0.92 0.48 0.00 2.60 6.09 -1.76 0.34 117.51 126.17 1s0y h ILE 49 Ca 0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.88 1s0y h ILE 49 Cb 0.31 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1s0y h ILE 49 CO -0.15 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.52 1s0y n ASN 50 N -3.83 0.00 -4.21 2.19 3.02 0.55 -4.64 115.26 108.33 1s0y n ASN 50 Ca 0.02 0.03 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 1s0y n ASN 50 Cb 0.34 -0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 1s0y n ASN 50 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1s0y s PHE 51 N -2.68 3.26 -0.35 3.10 0.40 0.12 -4.99 117.98 116.83 1s0y s PHE 51 Ca 0.24 -1.70 -0.10 0.00 -0.60 0.00 0.00 56.93 54.78 1s0y s PHE 51 Cb 0.19 -2.17 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1s0y s PHE 51 CO 0.47 -0.77 0.18 0.08 0.70 0.00 0.00 175.22 175.87 1s0y s VAL 52 N 1.31 4.43 -0.14 -0.44 1.01 -1.26 0.22 120.40 125.52 1s0y s VAL 52 Ca -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1s0y s VAL 52 Cb -0.20 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1s0y s VAL 52 CO 0.00 -0.16 0.00 -1.61 0.00 0.00 0.00 175.10 173.34 1s0y s GLU 53 N 1.54 3.58 -1.03 2.72 0.41 0.03 -4.48 118.70 121.46 1s0y s GLU 53 Ca 0.02 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 1s0y s GLU 53 Cb -0.19 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 1s0y s GLU 53 CO 0.06 0.38 0.00 0.72 -0.49 0.00 0.00 175.26 175.92 1s0y n HIS 54 N 3.16 -0.31 0.00 1.61 8.25 -1.26 -0.23 115.22 126.44 1s0y n HIS 54 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1s0y n HIS 54 Cb 0.53 -2.25 0.00 0.00 1.12 0.00 0.00 29.99 29.39 1s0y n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s0y n GLY 55 N -0.05 2.12 3.68 -1.41 0.00 -1.26 -5.07 105.19 103.20 1s0y n GLY 55 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1s0y n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s0y s GLU 56 N -0.86 3.64 0.16 1.61 4.04 0.68 -5.03 118.70 122.94 1s0y s GLU 56 Ca 0.00 -0.33 -0.30 0.00 0.04 0.00 0.00 54.97 54.38 1s0y s GLU 56 Cb 0.00 -3.09 -0.08 0.00 0.02 0.00 0.00 34.13 30.98 1s0y s GLU 56 CO 0.00 0.46 1.19 -1.01 -1.84 0.00 0.00 175.26 174.06 1s0y s HIS 57 N -0.17 3.45 0.50 4.83 0.09 -1.26 -0.79 115.29 121.93 1s0y s HIS 57 Ca 0.07 1.41 -0.20 0.00 -0.00 0.00 0.00 55.06 56.35 1s0y s HIS 57 Cb -0.12 -3.41 -0.08 0.00 -0.00 0.00 0.00 32.58 28.97 1s0y s HIS 57 CO 0.01 -1.16 1.04 -0.51 -0.00 0.00 0.00 174.74 174.12 1s0y s LEU 58 N 0.00 3.79 0.67 0.89 1.43 0.13 -4.91 118.68 120.69 1s0y s LEU 58 Ca 0.54 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 1s0y s LEU 58 Cb -0.32 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.34 1s0y s LEU 58 CO 0.35 -0.85 1.07 -2.16 0.23 0.00 0.00 176.35 174.99 1s0y s PRO 59 N -3.36 3.14 0.38 1.29 0.04 -1.26 -2.38 135.00 132.84 1s0y s PRO 59 Ca 0.67 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.00 1s0y s PRO 59 Cb -0.16 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.21 1s0y s PRO 59 CO 0.23 -0.85 1.19 -0.25 0.04 0.00 0.00 177.00 177.36 1s0y n ASP 60 N -2.90 2.20 -4.77 6.66 10.43 -1.26 -4.39 116.55 122.53 1s0y n ASP 60 Ca 0.06 1.13 -0.41 0.00 2.57 0.00 0.00 54.79 58.15 1s0y n ASP 60 Cb 0.56 -1.44 -0.02 0.00 1.84 0.00 0.00 41.12 42.06 1s0y n ASP 60 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1s0y s TYR 61 N -1.16 3.03 -0.24 1.24 5.04 -1.26 -4.93 117.35 119.07 1s0y s TYR 61 Ca 0.59 1.38 0.02 0.00 -2.44 0.00 0.00 57.07 56.62 1s0y s TYR 61 Cb -0.56 -3.70 0.05 0.00 0.35 0.00 0.00 41.96 38.09 1s0y s TYR 61 CO 0.59 -1.96 -0.13 0.08 -1.34 0.00 0.00 175.55 172.79 1s0y s VAL 62 N -1.04 2.13 -2.00 3.14 1.01 -1.26 -4.79 120.40 117.59 1s0y s VAL 62 Ca 0.50 -1.44 0.30 0.00 0.00 0.00 0.00 61.98 61.34 1s0y s VAL 62 Cb -0.40 -2.16 0.86 0.00 0.00 0.00 0.00 36.38 34.68 1s0y s VAL 62 CO 0.52 0.12 2.14 -0.81 0.00 0.00 0.00 175.10 177.07