#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 2.73 0.00 0.54 -1.94 -1.26 -0.72 119.30 118.65 1s0y s MET 3 Ca 0.00 -0.60 0.04 0.00 -1.71 0.00 0.00 55.69 53.42 1s0y s MET 3 Cb 0.00 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 1s0y s MET 3 CO 0.00 0.62 -0.11 0.42 -0.01 0.00 0.00 175.02 175.93 1s0y s ILE 4 N -0.69 0.89 0.01 2.53 1.01 0.51 -4.96 121.20 120.49 1s0y s ILE 4 Ca 0.10 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1s0y s ILE 4 Cb -0.11 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1s0y s ILE 4 CO 0.01 0.16 -0.12 -0.94 0.00 0.00 0.00 174.94 174.06 1s0y s SER 5 N -0.50 1.36 -0.25 3.58 1.04 -1.26 -1.45 113.70 116.21 1s0y s SER 5 Ca 0.03 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1s0y s SER 5 Cb -0.05 -0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.03 1s0y s SER 5 CO -0.00 0.08 0.04 0.00 0.98 0.00 0.00 173.24 174.34 1s0y s ASP 7 N 1.67 6.71 0.14 0.00 1.01 -1.26 -1.16 116.67 123.79 1s0y s ASP 7 Ca 0.03 0.87 -0.16 0.00 0.71 0.00 0.00 52.55 54.00 1s0y s ASP 7 Cb -0.17 -2.35 0.03 0.00 1.01 0.00 0.00 42.92 41.43 1s0y s ASP 7 CO -0.15 -0.25 0.41 0.00 0.21 0.00 0.00 175.17 175.39 1s0y s MET 8 N 1.78 1.12 0.58 8.23 0.23 0.86 -4.94 119.30 127.15 1s0y s MET 8 Ca 0.29 -0.77 -0.20 0.00 -1.03 0.00 0.00 55.69 53.99 1s0y s MET 8 Cb -0.16 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1s0y s MET 8 CO 0.11 -0.44 1.25 0.54 -2.03 0.00 0.00 175.02 174.45 1s0y n ARG 9 N -0.24 1.36 -1.80 3.16 1.74 -1.26 -2.71 116.66 116.92 1s0y n ARG 9 Ca -0.15 0.51 -0.33 0.00 -0.77 0.00 0.00 57.85 57.12 1s0y n ARG 9 Cb 0.63 -2.47 0.04 0.00 -1.02 0.00 0.00 32.46 29.65 1s0y n ARG 9 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1s0y s TYR 10 N -1.35 2.70 0.00 -1.55 6.14 -0.10 -4.40 117.35 118.79 1s0y s TYR 10 Ca 0.75 1.54 0.00 0.00 0.64 0.00 0.00 57.07 60.00 1s0y s TYR 10 Cb -0.41 -3.13 0.00 0.00 0.42 0.00 0.00 41.96 38.84 1s0y s TYR 10 CO 0.46 -1.57 0.00 0.41 0.64 0.00 0.00 175.55 175.49 1s0y n GLY 11 N -0.66 1.55 3.77 8.97 0.00 -1.26 -4.28 105.19 113.28 1s0y n GLY 11 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 4.24 0.71 1.61 3.00 -1.26 -4.58 118.95 122.67 1s0y s ARG 12 Ca 0.00 2.38 -0.11 0.00 0.00 0.00 0.00 55.73 58.00 1s0y s ARG 12 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 34.95 31.93 1s0y s ARG 12 CO 0.00 -0.37 1.07 0.95 0.00 0.00 0.00 175.30 176.95 1s0y s THR 13 N -0.92 3.83 0.26 0.02 -4.23 -1.26 -4.85 115.64 108.49 1s0y s THR 13 Ca 0.52 0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 61.61 1s0y s THR 13 Cb -0.43 -3.39 0.24 0.00 1.34 0.00 0.00 72.50 70.26 1s0y s THR 13 CO 0.55 -0.78 1.80 0.44 -0.54 0.00 0.00 174.62 176.10 1s0y h ASP 14 N -0.76 0.71 -0.43 3.99 3.45 -1.99 -0.64 116.42 120.75 1s0y h ASP 14 Ca -0.45 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.08 1s0y h ASP 14 Cb 1.23 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.90 1s0y h ASP 14 CO 0.59 0.37 0.28 -0.08 -1.57 0.00 0.00 179.24 178.82 1s0y h GLU 15 N 0.80 0.57 -0.25 3.56 4.81 -1.99 -1.01 114.58 121.07 1s0y h GLU 15 Ca 0.45 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1s0y h GLU 15 Cb 0.49 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1s0y h GLU 15 CO -0.29 0.40 0.13 1.96 -0.73 0.00 0.00 179.01 180.48 1s0y h GLN 16 N 0.58 0.36 -0.67 1.92 4.20 -1.66 -2.30 115.11 117.54 1s0y h GLN 16 Ca 0.16 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.88 1s0y h GLN 16 Cb -0.04 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.61 1s0y h GLN 16 CO -0.03 0.34 0.37 0.87 -0.67 0.00 0.00 178.83 179.70 1s0y h LYS 17 N 0.29 0.65 0.00 1.46 1.57 -0.71 0.24 116.57 120.07 1s0y h LYS 17 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1s0y h LYS 17 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1s0y h LYS 17 CO -0.01 0.43 0.00 0.07 -0.57 0.00 0.00 179.45 179.37 1s0y h ARG 18 N 0.67 0.00 0.05 3.15 0.11 -1.11 0.48 114.38 117.74 1s0y h ARG 18 Ca 0.30 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.22 1s0y h ARG 18 Cb 0.21 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.30 1s0y h ARG 18 CO -0.19 0.00 -0.67 0.00 0.10 0.00 0.00 179.97 179.20 1s0y h ALA 19 N 2.23 0.01 -0.19 0.08 0.00 -0.65 -2.42 119.26 118.32 1s0y h ALA 19 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.30 1s0y h ALA 19 Cb 0.63 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1s0y h ALA 19 CO 0.00 0.35 0.11 1.25 0.00 0.00 0.00 179.25 180.96 1s0y h LEU 20 N -0.21 0.17 -0.44 0.00 6.46 -0.04 -1.28 115.31 119.98 1s0y h LEU 20 Ca -0.10 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.55 1s0y h LEU 20 Cb 1.43 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.32 1s0y h LEU 20 CO 0.13 0.13 -0.19 0.77 -0.62 0.00 0.00 178.44 178.66 1s0y h SER 21 N 0.23 0.92 0.41 1.25 4.64 -1.01 -0.65 113.55 119.34 1s0y h SER 21 Ca 0.08 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 1s0y h SER 21 Cb 0.00 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1s0y h SER 21 CO -0.04 1.11 -0.31 0.00 -0.87 0.00 0.00 176.83 176.73 1s0y h ALA 22 N 0.84 -0.72 0.00 5.18 0.00 -1.29 0.11 119.26 123.38 1s0y h ALA 22 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s0y h ALA 22 Cb 0.76 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1s0y h ALA 22 CO 0.06 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.79 1s0y n GLY 23 N -1.43 -1.18 0.12 0.00 0.00 -0.50 -2.08 105.19 100.13 1s0y n GLY 23 Ca -0.10 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1s0y n GLY 23 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s0y h LEU 24 N 0.00 0.26 -1.46 0.99 5.85 -0.33 -3.24 115.31 117.39 1s0y h LEU 24 Ca 0.00 -0.78 -0.03 0.00 0.84 0.00 0.00 57.88 57.91 1s0y h LEU 24 Cb 0.30 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1s0y h LEU 24 CO 0.00 1.68 0.05 -0.07 -0.34 0.00 0.00 178.44 179.76 1s0y h LEU 25 N -0.39 0.37 0.59 2.25 4.07 -0.70 -2.35 115.31 119.16 1s0y h LEU 25 Ca -0.37 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.51 1s0y h LEU 25 Cb 1.72 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 43.37 1s0y h LEU 25 CO -0.02 0.39 -0.29 -0.09 -1.08 0.00 0.00 178.44 177.36 1s0y h ARG 26 N 0.40 -0.77 -0.35 1.13 2.43 -1.54 0.20 114.38 115.88 1s0y h ARG 26 Ca 0.10 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1s0y h ARG 26 Cb 0.18 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1s0y h ARG 26 CO -0.00 -0.49 0.23 -0.39 -1.51 0.00 0.00 179.97 177.81 1s0y h VAL 27 N -0.86 1.09 -0.00 0.20 -1.51 -1.54 0.56 116.25 114.19 1s0y h VAL 27 Ca -0.08 -0.18 -0.21 0.00 -1.23 0.00 0.00 66.70 64.99 1s0y h VAL 27 Cb 0.63 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1s0y h VAL 27 CO 0.13 0.09 -0.90 0.40 -1.23 0.00 0.00 177.57 176.06 1s0y h ILE 28 N 0.48 1.44 -0.02 7.19 1.08 -1.27 -1.52 117.51 124.90 1s0y h ILE 28 Ca 0.13 -2.52 -0.21 0.00 -0.39 0.00 0.00 64.86 61.87 1s0y h ILE 28 Cb -0.04 2.43 -0.00 0.00 -3.07 0.00 0.00 36.82 36.13 1s0y h ILE 28 CO -0.03 0.74 -0.88 -1.28 -0.69 0.00 0.00 178.15 176.02 1s0y h SER 29 N 0.17 0.46 -0.12 1.72 0.87 0.27 0.24 113.55 117.16 1s0y h SER 29 Ca -0.06 -0.35 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 1s0y h SER 29 Cb 1.53 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1s0y h SER 29 CO 0.15 1.13 -0.26 -0.08 -0.53 0.00 0.00 176.83 177.25 1s0y h GLU 30 N 0.21 0.57 0.00 2.24 4.81 0.15 -0.16 114.58 122.41 1s0y h GLU 30 Ca -0.06 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.78 1s0y h GLU 30 Cb 1.49 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 1s0y h GLU 30 CO 0.15 0.78 -0.91 0.00 -0.73 0.00 0.00 179.01 178.30 1s0y h ALA 31 N 1.22 0.19 0.00 2.92 0.00 -1.23 -3.37 119.26 118.99 1s0y h ALA 31 Ca 0.07 -1.00 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 1s0y h ALA 31 Cb 0.71 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1s0y h ALA 31 CO 0.05 0.51 -0.26 1.15 0.00 0.00 0.00 179.25 180.71 1s0y h THR 32 N -1.00 0.83 0.00 0.00 2.02 -0.62 -3.45 112.91 110.69 1s0y h THR 32 Ca -0.25 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1s0y h THR 32 Cb 1.19 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1s0y h THR 32 CO -0.15 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.61 1s0y n GLY 33 N -0.29 0.60 3.78 2.16 0.00 -0.07 -4.98 105.19 106.38 1s0y n GLY 33 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.26 4.55 0.74 1.61 2.56 -1.22 -5.02 118.70 121.66 1s0y s GLU 34 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 54.97 56.05 1s0y s GLU 34 Cb 0.00 -3.09 0.04 0.00 2.00 0.00 0.00 34.13 33.08 1s0y s GLU 34 CO 0.00 0.47 1.08 -1.25 -0.56 0.00 0.00 175.26 175.00 1s0y s PRO 35 N -1.51 2.50 0.36 4.30 0.04 -1.26 -4.39 135.00 135.04 1s0y s PRO 35 Ca 0.41 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1s0y s PRO 35 Cb -0.21 -1.93 0.77 0.00 0.04 0.00 0.00 34.50 33.17 1s0y s PRO 35 CO 0.26 -1.45 1.94 -0.09 0.04 0.00 0.00 177.00 177.69 1s0y h ARG 36 N -0.97 0.71 0.00 4.56 2.43 -1.96 -1.01 114.38 118.14 1s0y h ARG 36 Ca -0.44 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1s0y h ARG 36 Cb 1.22 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1s0y h ARG 36 CO 0.53 0.47 0.00 0.39 -1.51 0.00 0.00 179.97 179.85 1s0y n GLU 37 N -4.50 0.15 -0.78 0.20 1.02 -1.26 -2.75 120.64 112.72 1s0y n GLU 37 Ca 0.12 0.45 -0.04 0.00 -0.02 0.00 0.00 57.16 57.67 1s0y n GLU 37 Cb 0.30 -1.82 0.21 0.00 -0.02 0.00 0.00 31.44 30.10 1s0y n GLU 37 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1s0y n ASN 38 N -2.10 2.79 -3.90 1.62 0.23 -0.38 -4.96 115.26 108.56 1s0y n ASN 38 Ca 0.01 -3.64 -0.27 0.00 -0.53 0.00 0.00 54.58 50.15 1s0y n ASN 38 Cb 0.17 -0.64 -0.17 0.00 -2.08 0.00 0.00 39.78 37.06 1s0y n ASN 38 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1s0y s ILE 39 N -3.19 1.04 -0.03 1.53 1.01 -1.11 -0.89 121.20 119.56 1s0y s ILE 39 Ca 0.45 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1s0y s ILE 39 Cb 0.40 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1s0y s ILE 39 CO 0.02 0.32 0.11 0.12 0.00 0.00 0.00 174.94 175.51 1s0y s PHE 40 N 1.70 3.40 -0.01 3.97 5.36 0.10 -4.99 117.98 127.51 1s0y s PHE 40 Ca 0.04 0.30 -0.01 0.00 -0.96 0.00 0.00 56.93 56.30 1s0y s PHE 40 Cb -0.13 -1.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1s0y s PHE 40 CO -0.08 0.60 0.03 0.12 -1.46 0.00 0.00 175.22 174.44 1s0y s PHE 41 N -1.18 -0.03 -0.03 10.12 5.36 -1.26 -0.37 117.98 130.58 1s0y s PHE 41 Ca 0.22 0.10 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 1s0y s PHE 41 Cb -0.12 -0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.57 1s0y s PHE 41 CO 0.13 -0.02 0.09 0.54 -1.46 0.00 0.00 175.22 174.49 1s0y s VAL 42 N 0.08 -0.01 -0.17 3.12 0.11 -0.53 -4.97 120.40 118.03 1s0y s VAL 42 Ca -0.01 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 1s0y s VAL 42 Cb -0.01 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1s0y s VAL 42 CO -0.00 0.01 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.13 1s0y s ILE 43 N 0.23 3.98 -0.10 7.04 1.01 -1.26 -1.47 121.20 130.62 1s0y s ILE 43 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1s0y s ILE 43 Cb -0.03 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1s0y s ILE 43 CO -0.01 0.47 -0.11 -0.13 0.00 0.00 0.00 174.94 175.17 1s0y s ARG 44 N 0.54 3.10 0.13 2.79 0.52 -0.31 -4.96 118.95 120.75 1s0y s ARG 44 Ca -0.02 -0.64 0.10 0.00 -0.52 0.00 0.00 55.73 54.65 1s0y s ARG 44 Cb -0.14 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1s0y s ARG 44 CO 0.02 0.39 -0.24 -1.21 0.02 0.00 0.00 175.30 174.29 1s0y s GLU 45 N -0.11 1.31 0.31 3.54 2.02 -1.25 -0.10 118.70 124.42 1s0y s GLU 45 Ca -0.01 -1.30 -0.07 0.00 0.02 0.00 0.00 54.97 53.61 1s0y s GLU 45 Cb -0.14 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1s0y s GLU 45 CO 0.03 0.39 0.49 0.20 0.02 0.00 0.00 175.26 176.40 1s0y s GLY 46 N -2.09 1.06 0.62 -1.39 0.00 -1.10 -4.86 107.32 99.56 1s0y s GLY 46 Ca 0.12 -1.24 -0.14 0.00 0.00 0.00 0.00 44.72 43.46 1s0y s GLY 46 CO 0.06 -0.82 1.05 -0.56 0.00 0.00 0.00 173.10 172.82 1s0y s SER 47 N -3.15 5.77 0.37 1.64 0.01 -1.26 -0.93 113.70 116.16 1s0y s SER 47 Ca 0.27 1.71 0.11 0.00 1.31 0.00 0.00 55.95 59.34 1s0y s SER 47 Cb -0.01 -2.52 0.87 0.00 0.21 0.00 0.00 66.02 64.58 1s0y s SER 47 CO 0.15 -1.18 1.88 1.23 0.41 0.00 0.00 173.24 175.73 1s0y h GLY 48 N 0.09 1.09 2.00 3.44 0.00 -1.79 0.20 103.07 108.11 1s0y h GLY 48 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1s0y h GLY 48 CO 0.58 0.08 0.00 4.51 0.00 0.00 0.00 176.54 181.71 1s0y n ILE 49 N -4.54 0.92 1.11 2.60 3.06 -1.02 -1.67 119.36 119.82 1s0y n ILE 49 Ca 0.17 0.46 0.13 0.00 -2.50 0.00 0.00 62.75 61.01 1s0y n ILE 49 Cb 0.49 -1.42 0.50 0.00 0.54 0.00 0.00 39.64 39.75 1s0y n ILE 49 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1s0y n ASN 50 N -2.26 0.28 -4.43 9.51 3.02 0.06 -4.74 115.26 116.70 1s0y n ASN 50 Ca 0.01 -0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.17 1s0y n ASN 50 Cb 0.14 -0.15 -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 -2.86 3.06 -0.25 3.10 0.40 -0.67 -5.03 117.98 115.73 1s0y s PHE 51 Ca 0.17 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1s0y s PHE 51 Cb 0.19 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.57 1s0y s PHE 51 CO 0.57 -0.36 -0.09 0.08 0.70 0.00 0.00 175.22 176.12 1s0y s VAL 52 N 1.48 2.48 -0.20 -0.44 1.01 -1.26 -0.80 120.40 122.66 1s0y s VAL 52 Ca 0.06 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 1s0y s VAL 52 Cb -0.15 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1s0y s VAL 52 CO 0.02 0.08 -0.05 -1.61 0.00 0.00 0.00 175.10 173.55 1s0y s GLU 53 N 1.21 3.42 -1.52 2.72 0.41 -0.15 -4.53 118.70 120.26 1s0y s GLU 53 Ca -0.04 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 1s0y s GLU 53 Cb -0.18 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 1s0y s GLU 53 CO -0.05 -0.10 0.00 0.72 -0.49 0.00 0.00 175.26 175.33 1s0y n HIS 54 N 4.53 0.00 0.00 1.61 8.25 -1.26 -1.28 115.22 127.06 1s0y n HIS 54 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1s0y n HIS 54 Cb 0.51 -2.70 0.00 0.00 1.12 0.00 0.00 29.99 28.92 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 -0.77 1.25 3.72 -1.41 0.00 -1.26 -5.05 105.19 101.67 1s0y n GLY 55 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.87 4.23 -0.18 1.61 4.04 -0.41 -5.04 118.70 122.09 1s0y s GLU 56 Ca 0.00 0.03 -0.29 0.00 0.04 0.00 0.00 54.97 54.75 1s0y s GLU 56 Cb 0.00 -3.44 -0.00 0.00 0.02 0.00 0.00 34.13 30.70 1s0y s GLU 56 CO 0.00 0.21 1.15 -1.01 -1.84 0.00 0.00 175.26 173.77 1s0y s HIS 57 N 0.57 3.12 0.65 4.83 0.09 -1.26 -0.98 115.29 122.31 1s0y s HIS 57 Ca 0.15 1.26 -0.17 0.00 -0.00 0.00 0.00 55.06 56.30 1s0y s HIS 57 Cb -0.13 -3.38 -0.01 0.00 -0.00 0.00 0.00 32.58 29.07 1s0y s HIS 57 CO 0.03 -1.06 1.16 -0.51 -0.00 0.00 0.00 174.74 174.37 1s0y s LEU 58 N 3.18 3.48 0.62 0.89 1.43 0.02 -4.88 118.68 123.43 1s0y s LEU 58 Ca 0.50 2.22 -0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1s0y s LEU 58 Cb -0.19 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.46 1s0y s LEU 58 CO 0.12 -1.75 0.95 -2.16 0.23 0.00 0.00 176.35 173.73 1s0y s PRO 59 N -3.74 2.89 0.52 1.29 0.04 -1.26 -2.42 135.00 132.31 1s0y s PRO 59 Ca 0.72 0.09 -0.22 0.00 0.04 0.00 0.00 61.00 61.63 1s0y s PRO 59 Cb -0.26 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 1s0y s PRO 59 CO 0.38 -0.78 1.21 -0.25 0.04 0.00 0.00 177.00 177.60 1s0y n ASP 60 N -2.68 2.08 -4.74 6.66 10.43 -1.26 -4.44 116.55 122.59 1s0y n ASP 60 Ca 0.05 0.98 -0.41 0.00 2.57 0.00 0.00 54.79 57.98 1s0y n ASP 60 Cb 0.58 -1.49 -0.04 0.00 1.84 0.00 0.00 41.12 42.01 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 -1.31 3.47 -0.34 1.24 5.04 -1.26 -4.94 117.35 119.25 1s0y s TYR 61 Ca 0.69 1.52 -0.02 0.00 -2.44 0.00 0.00 57.07 56.82 1s0y s TYR 61 Cb -0.45 -3.38 0.07 0.00 0.35 0.00 0.00 41.96 38.54 1s0y s TYR 61 CO 0.52 -0.98 0.07 0.08 -1.34 0.00 0.00 175.55 173.90 1s0y s VAL 62 N -0.42 3.14 -2.00 3.14 1.01 -1.26 -4.82 120.40 119.19 1s0y s VAL 62 Ca 0.50 -1.57 0.11 0.00 0.00 0.00 0.00 61.98 61.02 1s0y s VAL 62 Cb -0.32 -2.92 0.31 0.00 0.00 0.00 0.00 36.38 33.46 1s0y s VAL 62 CO 0.38 -0.29 1.10 -0.81 0.00 0.00 0.00 175.10 175.48