#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu n TYR 2 N 0.00 0.00 -2.45 1.24 0.18 -1.26 -4.82 117.16 110.04 1yhu n TYR 2 Ca 0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 1yhu n TYR 2 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 1yhu n TYR 2 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1yhu n VAL 3 N 0.00-12.00 -1.59 -3.48 0.31 -1.26 -4.71 118.33 95.60 1yhu n VAL 3 Ca 0.00 2.56 -0.40 0.00 -0.01 0.00 0.00 64.34 66.48 1yhu n VAL 3 Cb 0.00 -6.22 -0.04 0.00 -0.91 0.00 0.00 33.84 26.67 1yhu n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yhu s GLY 5 N 4.77 1.54 0.40 0.00 0.00 -1.26 -4.72 107.32 108.04 1yhu s GLY 5 Ca 0.57 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.94 1yhu s GLY 5 CO 0.07 0.31 2.01 -0.56 0.00 0.00 0.00 173.10 174.92 1yhu h PRO 6 N -2.41 0.58 -0.14 2.90 0.13 -1.98 -1.73 132.00 129.35 1yhu h PRO 6 Ca -0.56 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.37 1yhu h PRO 6 Cb 1.33 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1yhu h PRO 6 CO 0.50 0.39 -0.58 -0.07 -0.23 0.00 0.00 178.00 178.01 1yhu h LEU 7 N 0.60 0.75 -1.40 1.56 3.38 -1.98 -2.43 115.31 115.80 1yhu h LEU 7 Ca 0.24 -0.62 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1yhu h LEU 7 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1yhu h LEU 7 CO -0.07 1.24 0.42 1.56 0.09 0.00 0.00 178.44 181.69 1yhu h GLN 8 N 0.29 0.79 -0.14 1.13 1.08 -1.77 -1.23 115.11 115.26 1yhu h GLN 8 Ca -0.03 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1yhu h GLN 8 Cb 1.21 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 1yhu h GLN 8 CO 0.12 0.52 0.03 0.00 -0.95 0.00 0.00 178.83 178.56 1yhu h ARG 9 N 0.81 0.23 -0.75 1.46 3.08 -1.24 0.82 114.38 118.80 1yhu h ARG 9 Ca 0.24 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.33 1yhu h ARG 9 Cb -0.02 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 1yhu h ARG 9 CO -0.06 0.39 0.39 -0.07 -1.07 0.00 0.00 179.97 179.55 1yhu h LEU 10 N 0.03 0.52 0.64 3.04 3.38 -0.87 0.35 115.31 122.41 1yhu h LEU 10 Ca 0.04 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1yhu h LEU 10 Cb 0.26 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1yhu h LEU 10 CO 0.00 0.30 -0.31 0.50 0.09 0.00 0.00 178.44 179.02 1yhu h LYS 11 N 0.66 -0.83 -0.82 1.13 1.63 -0.88 -1.03 116.57 116.43 1yhu h LYS 11 Ca 0.37 0.06 0.09 0.00 -0.85 0.00 0.00 60.65 60.31 1yhu h LYS 11 Cb 0.37 0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 32.12 1yhu h LYS 11 CO -0.26 -0.54 0.48 0.28 -3.45 0.00 0.00 179.45 175.95 1yhu h VAL 12 N -0.91 0.93 -0.14 2.00 2.07 -0.39 0.48 116.25 120.30 1yhu h VAL 12 Ca -0.09 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1yhu h VAL 12 Cb 0.68 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1yhu h VAL 12 CO 0.14 0.15 -0.26 0.11 0.02 0.00 0.00 177.57 177.74 1yhu h LYS 13 N 0.82 -0.31 -0.22 1.57 1.57 0.01 0.38 116.57 120.39 1yhu h LYS 13 Ca 0.39 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1yhu h LYS 13 Cb 0.32 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1yhu h LYS 13 CO -0.23 -0.21 0.07 -0.09 -0.57 0.00 0.00 179.45 178.42 1yhu h ARG 14 N -0.32 0.35 -0.62 3.15 2.43 -0.07 -1.39 114.38 117.90 1yhu h ARG 14 Ca 0.10 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1yhu h ARG 14 Cb 0.48 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1yhu h ARG 14 CO -0.32 0.44 0.26 1.96 -1.51 0.00 0.00 179.97 180.80 1yhu h GLN 15 N 0.19 0.90 -0.52 0.20 4.20 -0.61 -1.35 115.11 118.11 1yhu h GLN 15 Ca 0.07 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1yhu h GLN 15 Cb 0.24 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1yhu h GLN 15 CO -0.00 0.72 0.31 2.35 -0.67 0.00 0.00 178.83 181.54 1yhu h TRP 16 N 0.89 0.70 -0.51 2.96 2.91 -0.03 -1.84 115.95 121.03 1yhu h TRP 16 Ca 0.21 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.33 1yhu h TRP 16 Cb 0.15 -0.23 -0.10 0.00 -0.51 0.00 0.00 29.16 28.47 1yhu h TRP 16 CO 0.01 0.50 -0.19 0.00 -1.03 0.00 0.00 178.44 177.73 1yhu h ALA 17 N 1.14 0.22 -0.57 2.65 0.00 -0.15 0.22 119.26 122.76 1yhu h ALA 17 Ca 0.19 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1yhu h ALA 17 Cb 0.01 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1yhu h ALA 17 CO -0.03 -0.51 0.27 1.49 0.00 0.00 0.00 179.25 180.46 1yhu h GLU 18 N -0.07 0.83 -0.24 0.00 4.81 -0.94 -2.95 114.58 116.02 1yhu h GLU 18 Ca 0.24 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1yhu h GLU 18 Cb 0.44 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1yhu h GLU 18 CO -0.56 0.68 -0.16 0.00 -0.73 0.00 0.00 179.01 178.24 1yhu h ALA 19 N 1.11 0.35 0.00 2.92 0.00 -0.45 -2.45 119.26 120.74 1yhu h ALA 19 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yhu h ALA 19 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1yhu h ALA 19 CO -0.02 0.24 0.00 0.98 0.00 0.00 0.00 179.25 180.45 1yhu n TYR 20 N -4.45 0.00 0.00 0.00 9.36 0.67 -4.91 117.16 117.83 1yhu n TYR 20 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1yhu n TYR 20 Cb 0.38 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 1yhu n TYR 20 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1yhu n GLY 21 N 0.17 0.58 0.12 2.98 0.00 -0.92 -4.26 105.19 103.86 1yhu n GLY 21 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 1yhu n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yhu n SER 22 N -2.18 1.77 0.00 1.61 7.64 -1.26 -4.83 113.62 116.37 1yhu n SER 22 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1yhu n SER 22 Cb 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1yhu n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yhu n GLY 23 N 1.91 -0.33 0.33 0.23 0.00 -1.26 -5.08 105.19 100.99 1yhu n GLY 23 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1yhu n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yhu n ASN 24 N 0.00 0.00 0.00 1.61 4.05 -1.26 -4.71 115.26 114.95 1yhu n ASN 24 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1yhu n ASN 24 Cb 0.00 -0.13 0.00 0.00 1.23 0.00 0.00 39.78 40.88 1yhu n ASN 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1yhu n SER 25 N -1.98 0.00 0.25 1.20 3.41 -1.26 -2.80 113.62 112.44 1yhu n SER 25 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1yhu n SER 25 Cb 0.00 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.60 1yhu n SER 25 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1yhu h ARG 26 N 0.00 0.00 -0.14 4.33 3.08 -1.89 0.86 114.38 120.61 1yhu h ARG 26 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1yhu h ARG 26 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1yhu h ARG 26 CO 0.00 0.11 0.01 1.49 -1.07 0.00 0.00 179.97 180.51 1yhu h GLU 27 N 0.00 0.25 -0.16 0.04 4.81 -1.90 0.81 114.58 118.42 1yhu h GLU 27 Ca -0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 1yhu h GLU 27 Cb 0.22 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1yhu h GLU 27 CO 0.01 0.46 -0.49 1.49 -0.73 0.00 0.00 179.01 179.75 1yhu h GLU 28 N 0.00 0.43 -0.45 1.92 4.81 -1.66 0.02 114.58 119.64 1yhu h GLU 28 Ca 0.04 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1yhu h GLU 28 Cb 0.34 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1yhu h GLU 28 CO 0.01 0.82 0.18 0.35 -0.73 0.00 0.00 179.01 179.64 1yhu h PHE 29 N 0.34 0.69 0.07 0.92 3.57 -0.68 0.47 116.94 122.31 1yhu h PHE 29 Ca 0.02 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1yhu h PHE 29 Cb 0.98 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1yhu h PHE 29 CO 0.03 0.59 -0.03 0.78 -2.23 0.00 0.00 178.31 177.45 1yhu h GLY 30 N 0.59 -0.09 0.04 2.40 0.00 -0.67 -2.79 103.07 102.55 1yhu h GLY 30 Ca 0.15 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.60 1yhu h GLY 30 CO -0.01 -0.03 -0.19 0.84 0.00 0.00 0.00 176.54 177.15 1yhu h HIS 31 N -0.33 -0.46 0.04 5.60 -0.00 -0.76 -1.68 115.15 117.55 1yhu h HIS 31 Ca -0.01 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1yhu h HIS 31 Cb 0.29 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.91 1yhu h HIS 31 CO 0.01 -0.27 -0.51 0.35 -0.00 0.00 0.00 177.93 177.51 1yhu h PHE 32 N -0.11 -1.48 0.00 5.26 3.57 -0.87 0.22 116.94 123.54 1yhu h PHE 32 Ca 0.19 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1yhu h PHE 32 Cb 0.41 0.64 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1yhu h PHE 32 CO -0.42 -0.57 0.00 -0.89 -2.23 0.00 0.00 178.31 174.20 1yhu n ILE 33 N -5.47 0.00 -0.23 1.41 5.41 -0.92 -0.62 119.36 118.94 1yhu n ILE 33 Ca -0.07 1.42 0.17 0.00 1.00 0.00 0.00 62.75 65.27 1yhu n ILE 33 Cb 0.40 -2.14 0.48 0.00 -0.71 0.00 0.00 39.64 37.67 1yhu n ILE 33 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1yhu h TRP 34 N 0.00 0.59 0.16 1.39 4.06 -1.32 0.17 115.95 121.00 1yhu h TRP 34 Ca 0.00 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 1yhu h TRP 34 Cb 0.00 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 27.97 1yhu h TRP 34 CO -0.38 0.19 -0.10 1.03 -3.56 0.00 0.00 178.44 175.62 1yhu h SER 35 N 0.47 -0.25 -0.74 -3.49 0.87 -0.13 -2.07 113.55 108.21 1yhu h SER 35 Ca 0.44 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 61.03 1yhu h SER 35 Cb 0.99 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 1yhu h SER 35 CO -0.17 -0.17 0.48 -0.74 -0.53 0.00 0.00 176.83 175.70 1yhu h HIS 36 N -0.26 0.91 -0.38 2.24 -0.00 0.15 -1.75 115.15 116.06 1yhu h HIS 36 Ca -0.01 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.45 1yhu h HIS 36 Cb 0.22 -0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 27.26 1yhu h HIS 36 CO -0.09 0.56 -0.02 0.28 -0.00 0.00 0.00 177.93 178.66 1yhu h VAL 37 N 0.97 0.70 0.00 5.26 2.07 -0.27 -1.72 116.25 123.25 1yhu h VAL 37 Ca 0.28 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 1yhu h VAL 37 Cb -0.07 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1yhu h VAL 37 CO -0.08 0.02 -0.09 -0.26 0.02 0.00 0.00 177.57 177.18 1yhu h PHE 38 N 0.09 0.00 -0.15 1.57 0.05 -1.09 0.03 116.94 117.43 1yhu h PHE 38 Ca 0.19 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.87 1yhu h PHE 38 Cb 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 1yhu h PHE 38 CO -0.27 0.09 -0.38 1.96 -0.18 0.00 0.00 178.31 179.53 1yhu h GLN 39 N 0.00 0.33 0.00 1.51 4.20 -0.43 -2.08 115.11 118.64 1yhu h GLN 39 Ca -0.00 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1yhu h GLN 39 Cb 0.76 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1yhu h GLN 39 CO 0.01 0.66 -0.24 0.45 -0.67 0.00 0.00 178.83 179.05 1yhu h HIS 40 N 0.28 0.00 -3.09 2.96 3.86 -1.09 -3.41 115.15 114.65 1yhu h HIS 40 Ca 0.03 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.59 1yhu h HIS 40 Cb 0.79 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.87 1yhu h HIS 40 CO 0.02 0.74 -0.37 0.43 0.86 0.00 0.00 177.93 179.61 1yhu n SER 41 N -4.63 3.59 -0.00 2.45 7.64 -0.03 -4.92 113.62 117.72 1yhu n SER 41 Ca -0.11 -3.21 0.21 0.00 1.01 0.00 0.00 58.87 56.77 1yhu n SER 41 Cb 0.37 -0.87 0.70 0.00 -1.01 0.00 0.00 64.21 63.40 1yhu n SER 41 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1yhu h PRO 42 N 5.50 0.00 -0.51 1.43 0.13 -1.63 -0.51 132.00 136.41 1yhu h PRO 42 Ca 0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1yhu h PRO 42 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1yhu h PRO 42 CO 0.79 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.57 1yhu h ALA 43 N 1.71 1.06 -0.84 -0.56 0.00 -1.91 -3.01 119.26 115.71 1yhu h ALA 43 Ca 0.26 -0.27 0.24 0.00 0.00 0.00 0.00 54.91 55.14 1yhu h ALA 43 Cb 1.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1yhu h ALA 43 CO -0.00 0.59 0.73 0.00 0.00 0.00 0.00 179.25 180.57 1yhu h ALA 44 N 1.21 2.70 -0.87 0.00 0.00 -1.47 -0.52 119.26 120.31 1yhu h ALA 44 Ca 0.15 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1yhu h ALA 44 Cb 0.46 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1yhu h ALA 44 CO 0.02 -1.16 0.58 0.00 0.00 0.00 0.00 179.25 178.69 1yhu h ARG 45 N 0.00 0.37 -0.02 0.00 3.08 -1.68 -1.21 114.38 114.92 1yhu h ARG 45 Ca 0.40 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1yhu h ARG 45 Cb 1.85 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.82 1yhu h ARG 45 CO -0.00 0.24 0.14 -0.44 -1.07 0.00 0.00 179.97 178.84 1yhu h ASP 46 N 0.38 0.00 1.73 7.04 3.45 -1.33 -0.61 116.42 127.08 1yhu h ASP 46 Ca 0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.91 1yhu h ASP 46 Cb 1.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 1yhu h ASP 46 CO -0.16 0.00 -0.13 0.24 -1.57 0.00 0.00 179.24 177.62 1yhu h MET 47 N 0.00 0.00 -0.78 3.56 2.86 -1.43 -3.30 114.93 115.84 1yhu h MET 47 Ca 0.01 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.20 1yhu h MET 47 Cb 0.29 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 31.70 1yhu h MET 47 CO -0.00 0.00 0.38 1.19 1.06 0.00 0.00 176.91 179.54 1yhu n PHE 48 N -2.83 2.47 0.22 -0.22 3.01 -0.24 -4.66 117.46 115.21 1yhu n PHE 48 Ca 0.04 -1.99 0.17 0.00 1.01 0.00 0.00 57.45 56.67 1yhu n PHE 48 Cb 0.51 -0.86 0.85 0.00 -0.01 0.00 0.00 39.48 39.97 1yhu n PHE 48 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1yhu h LYS 49 N 1.23 0.00 0.00 -1.08 1.57 -1.67 -0.78 116.57 115.84 1yhu h LYS 49 Ca 0.49 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1yhu h LYS 49 Cb 2.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.38 1yhu h LYS 49 CO 0.95 0.00 -0.58 -0.09 -0.57 0.00 0.00 179.45 179.15 1yhu h ARG 50 N 0.00 0.00 -0.87 3.15 2.43 -1.92 -3.33 114.38 113.84 1yhu h ARG 50 Ca 0.07 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.66 1yhu h ARG 50 Cb 0.40 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.54 1yhu h ARG 50 CO -0.00 0.58 -0.55 1.33 -1.51 0.00 0.00 179.97 179.82 1yhu n VAL 51 N -3.39 2.68 -3.91 0.20 0.24 -0.52 -4.95 118.33 108.68 1yhu n VAL 51 Ca 0.01 -4.11 -0.29 0.00 -2.04 0.00 0.00 64.34 57.90 1yhu n VAL 51 Cb 0.70 -1.16 0.02 0.00 -1.47 0.00 0.00 33.84 31.94 1yhu n VAL 51 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1yhu n ARG 52 N -0.72 -5.29 0.00 7.34 5.12 -1.19 -3.17 116.66 118.76 1yhu n ARG 52 Ca 0.46 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.97 1yhu n ARG 52 Cb 0.89 -5.41 0.00 0.00 -1.16 0.00 0.00 32.46 26.78 1yhu n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yhu n GLY 53 N -1.67 -0.24 0.11 -0.13 0.00 -0.41 -0.33 105.19 102.51 1yhu n GLY 53 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1yhu n GLY 53 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1yhu h ASP 54 N 0.00 0.00 -2.85 1.61 2.03 -1.84 -3.42 116.42 111.95 1yhu h ASP 54 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 1yhu h ASP 54 Cb 0.05 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.16 1yhu h ASP 54 CO 0.00 0.61 -0.80 0.21 -1.03 0.00 0.00 179.24 178.24 1yhu s ASN 55 N -6.21 3.41 0.09 4.15 3.04 0.55 -4.98 114.94 115.00 1yhu s ASN 55 Ca 0.01 -1.82 0.13 0.00 0.04 0.00 0.00 52.86 51.22 1yhu s ASN 55 Cb 0.08 -0.52 0.60 0.00 -1.54 0.00 0.00 41.25 39.87 1yhu s ASN 55 CO 0.78 -0.37 1.41 2.30 -3.04 0.00 0.00 177.10 178.19 1yhu n ILE 56 N 4.56 1.24 -1.18 -5.21 -5.35 -1.25 -2.93 119.36 109.24 1yhu n ILE 56 Ca 0.03 0.38 -0.19 0.00 -0.27 0.00 0.00 62.75 62.70 1yhu n ILE 56 Cb 0.39 -1.27 -0.08 0.00 -1.74 0.00 0.00 39.64 36.95 1yhu n ILE 56 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1yhu n HIS 57 N -1.75 0.91 -4.24 4.28 8.25 -1.26 -4.10 115.22 117.31 1yhu n HIS 57 Ca 0.02 -1.72 -0.18 0.00 -0.26 0.00 0.00 57.72 55.57 1yhu n HIS 57 Cb 0.12 -1.35 -0.15 0.00 1.12 0.00 0.00 29.99 29.73 1yhu n HIS 57 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1yhu s THR 58 N -0.94 0.56 0.30 1.59 2.01 -1.15 -5.01 115.64 112.99 1yhu s THR 58 Ca 0.54 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.36 1yhu s THR 58 Cb 0.32 -0.50 0.30 0.00 0.01 0.00 0.00 72.50 72.63 1yhu s THR 58 CO -0.10 0.18 1.70 1.55 -0.69 0.00 0.00 174.62 177.26 1yhu h PRO 59 N 6.32 0.44 0.09 4.92 0.13 -1.92 0.74 132.00 142.72 1yhu h PRO 59 Ca -0.32 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1yhu h PRO 59 Cb 1.18 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1yhu h PRO 59 CO 0.49 0.29 -0.30 0.00 -0.23 0.00 0.00 178.00 178.26 1yhu h ALA 60 N 1.73 -0.48 -0.31 -0.56 0.00 -1.95 0.55 119.26 118.24 1yhu h ALA 60 Ca 0.60 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.29 1yhu h ALA 60 Cb 1.17 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1yhu h ALA 60 CO -0.52 -0.83 -0.52 0.35 0.00 0.00 0.00 179.25 177.73 1yhu h PHE 61 N -0.50 1.10 -0.90 0.00 3.57 -0.79 -2.34 116.94 117.09 1yhu h PHE 61 Ca 0.04 -0.38 0.11 0.00 3.53 0.00 0.00 57.97 61.26 1yhu h PHE 61 Cb 0.54 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 1yhu h PHE 61 CO -0.28 1.21 0.54 0.00 -2.23 0.00 0.00 178.31 177.55 1yhu h ARG 62 N 0.69 0.85 -0.71 1.11 3.08 0.55 0.34 114.38 120.29 1yhu h ARG 62 Ca 0.02 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1yhu h ARG 62 Cb 1.12 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1yhu h ARG 62 CO 0.12 0.56 0.27 0.00 -1.07 0.00 0.00 179.97 179.84 1yhu h ALA 63 N 1.49 1.14 0.78 0.04 0.00 -0.71 -1.08 119.26 120.92 1yhu h ALA 63 Ca 0.44 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1yhu h ALA 63 Cb 0.42 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1yhu h ALA 63 CO -0.26 0.61 -0.38 1.25 0.00 0.00 0.00 179.25 180.48 1yhu h HIS 64 N 1.03 -0.97 -0.99 0.00 -0.00 0.10 -2.21 115.15 112.10 1yhu h HIS 64 Ca 0.24 -0.02 0.23 0.00 -0.00 0.00 0.00 60.37 60.82 1yhu h HIS 64 Cb 0.22 0.32 -0.09 0.00 -0.00 0.00 0.00 27.41 27.86 1yhu h HIS 64 CO 0.02 -0.60 0.64 0.00 -0.00 0.00 0.00 177.93 177.98 1yhu h ALA 65 N -0.82 2.10 -0.24 5.26 0.00 -0.64 0.19 119.26 125.11 1yhu h ALA 65 Ca -0.11 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1yhu h ALA 65 Cb 0.80 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1yhu h ALA 65 CO 0.18 -0.47 0.04 1.15 0.00 0.00 0.00 179.25 180.14 1yhu h THR 66 N 0.48 0.88 -0.56 0.00 2.02 -0.62 -0.81 112.91 114.29 1yhu h THR 66 Ca 0.56 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.69 1yhu h THR 66 Cb 1.28 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1yhu h THR 66 CO -0.28 0.02 0.35 0.03 0.37 0.00 0.00 175.52 176.01 1yhu h ARG 67 N 0.12 0.76 0.47 6.66 3.08 -0.09 -1.08 114.38 124.31 1yhu h ARG 67 Ca 0.11 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1yhu h ARG 67 Cb 0.12 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1yhu h ARG 67 CO -0.16 0.54 -0.25 0.28 -1.07 0.00 0.00 179.97 179.31 1yhu h VAL 68 N 0.76 0.00 -0.91 2.04 2.07 -0.80 0.11 116.25 119.51 1yhu h VAL 68 Ca 0.20 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.91 1yhu h VAL 68 Cb -0.03 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.67 1yhu h VAL 68 CO -0.04 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.07 1yhu h LEU 69 N -0.67 0.49 -0.21 2.57 4.07 -1.20 0.15 115.31 120.52 1yhu h LEU 69 Ca -0.06 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1yhu h LEU 69 Cb 0.52 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1yhu h LEU 69 CO 0.09 0.20 0.12 1.23 -1.08 0.00 0.00 178.44 179.00 1yhu h GLY 70 N 0.49 0.31 0.75 0.83 0.00 -0.83 0.34 103.07 104.96 1yhu h GLY 70 Ca 0.47 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.68 1yhu h GLY 70 CO -0.20 0.13 -0.16 -1.33 0.00 0.00 0.00 176.54 174.97 1yhu h GLY 71 N 0.23 -0.32 -0.01 4.60 0.00 0.18 -1.83 103.07 105.91 1yhu h GLY 71 Ca 0.07 0.19 0.17 0.00 0.00 0.00 0.00 47.33 47.77 1yhu h GLY 71 CO -0.01 -0.16 0.33 -2.00 0.00 0.00 0.00 176.54 174.69 1yhu h LEU 72 N -0.34 0.28 -0.51 3.11 5.85 -0.43 -0.02 115.31 123.24 1yhu h LEU 72 Ca 0.02 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1yhu h LEU 72 Cb 0.34 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1yhu h LEU 72 CO -0.07 0.05 0.29 -0.78 -0.34 0.00 0.00 178.44 177.59 1yhu h ASP 73 N 0.42 0.44 0.23 1.25 1.82 0.46 -0.89 116.42 120.15 1yhu h ASP 73 Ca 0.47 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1yhu h ASP 73 Cb 0.80 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 1yhu h ASP 73 CO -0.47 0.31 -0.25 0.24 -1.61 0.00 0.00 179.24 177.46 1yhu h MET 74 N 0.57 -0.50 -0.17 0.28 2.86 -0.33 0.18 114.93 117.81 1yhu h MET 74 Ca 0.22 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1yhu h MET 74 Cb 0.07 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1yhu h MET 74 CO -0.12 -0.33 -0.16 0.00 1.06 0.00 0.00 176.91 177.35 1yhu h ILE 76 N -0.19 1.13 -0.01 0.00 2.04 -0.89 -0.32 117.51 119.27 1yhu h ILE 76 Ca 0.11 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1yhu h ILE 76 Cb 0.35 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1yhu h ILE 76 CO -0.28 0.18 -0.52 0.00 0.00 0.00 0.00 178.15 177.53 1yhu h ALA 77 N 1.53 1.11 -0.00 1.87 0.00 0.77 -2.81 119.26 121.73 1yhu h ALA 77 Ca 0.31 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yhu h ALA 77 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yhu h ALA 77 CO -0.09 0.66 -0.29 1.28 0.00 0.00 0.00 179.25 180.80 1yhu n LEU 78 N -3.92 0.33 -0.55 0.00 7.99 0.14 -4.35 117.00 116.64 1yhu n LEU 78 Ca -0.01 0.18 0.44 0.00 -0.01 0.00 0.00 56.01 56.61 1yhu n LEU 78 Cb 0.54 -0.33 0.75 0.00 -0.11 0.00 0.00 43.42 44.27 1yhu n LEU 78 CO 0.41 0.08 1.38 -0.07 -1.51 0.00 0.00 177.39 177.68 1yhu h LEU 79 N 0.05 0.08 0.00 2.23 3.38 -0.84 0.50 115.31 120.71 1yhu h LEU 79 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yhu h LEU 79 Cb 0.49 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1yhu h LEU 79 CO 0.00 -0.05 -0.34 -0.90 0.09 0.00 0.00 178.44 177.24 1yhu n ASP 80 N -4.22 0.75 -3.97 -0.43 5.68 -1.26 -4.41 116.55 108.69 1yhu n ASP 80 Ca 0.38 0.33 -0.35 0.00 -0.50 0.00 0.00 54.79 54.64 1yhu n ASP 80 Cb 1.67 -0.28 -0.06 0.00 -1.14 0.00 0.00 41.12 41.31 1yhu n ASP 80 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1yhu n ASP 81 N -2.18 4.45 -0.37 -1.12 -0.08 0.17 -4.97 116.55 112.45 1yhu n ASP 81 Ca 0.04 -3.23 -0.07 0.00 -1.51 0.00 0.00 54.79 50.03 1yhu n ASP 81 Cb 0.43 -1.01 -0.04 0.00 2.34 0.00 0.00 41.12 42.84 1yhu n ASP 81 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1yhu n GLU 82 N 1.89 -0.33 0.05 -0.67 4.07 -1.26 -0.78 120.64 123.62 1yhu n GLU 82 Ca 0.24 1.39 -0.13 0.00 -0.06 0.00 0.00 57.16 58.60 1yhu n GLU 82 Cb 0.37 -2.05 -0.07 0.00 -0.06 0.00 0.00 31.44 29.63 1yhu n GLU 82 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1yhu h PRO 83 N 0.00 -0.54 -0.27 5.31 0.13 -1.93 -1.74 132.00 132.96 1yhu h PRO 83 Ca 0.21 0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.31 1yhu h PRO 83 Cb 0.44 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1yhu h PRO 83 CO -0.88 -0.36 -0.13 0.28 -0.23 0.00 0.00 178.00 176.68 1yhu h VAL 84 N -0.56 1.23 0.02 1.56 2.07 -1.80 -2.76 116.25 116.01 1yhu h VAL 84 Ca 0.05 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1yhu h VAL 84 Cb 0.64 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1yhu h VAL 84 CO -0.32 0.33 -0.12 0.25 0.02 0.00 0.00 177.57 177.73 1yhu h LEU 85 N 0.42 -0.33 -1.47 2.57 5.85 -0.43 -1.41 115.31 120.51 1yhu h LEU 85 Ca 0.08 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1yhu h LEU 85 Cb 0.49 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1yhu h LEU 85 CO 0.03 -0.17 -0.26 0.78 -0.34 0.00 0.00 178.44 178.48 1yhu h ASN 86 N -0.21 0.01 -0.53 1.25 4.21 -1.19 0.34 115.58 119.45 1yhu h ASN 86 Ca 0.04 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 1yhu h ASN 86 Cb 0.25 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1yhu h ASN 86 CO -0.10 0.27 0.28 0.74 -1.29 0.00 0.00 177.43 177.32 1yhu h THR 87 N 0.01 1.19 -0.02 2.81 2.02 -1.13 0.14 112.91 117.92 1yhu h THR 87 Ca -0.00 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1yhu h THR 87 Cb 0.46 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1yhu h THR 87 CO 0.03 0.20 -0.03 -0.61 0.37 0.00 0.00 175.52 175.49 1yhu h GLN 88 N 0.71 0.05 -0.96 6.66 -0.00 -0.40 -2.55 115.11 118.63 1yhu h GLN 88 Ca 0.19 -0.03 0.19 0.00 -0.00 0.00 0.00 58.65 59.00 1yhu h GLN 88 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.47 1yhu h GLN 88 CO -0.03 0.56 0.61 -0.07 0.00 0.00 0.00 178.83 179.90 1yhu h LEU 89 N -0.45 0.60 -0.22 -2.39 3.38 -0.18 0.20 115.31 116.25 1yhu h LEU 89 Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1yhu h LEU 89 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1yhu h LEU 89 CO 0.01 0.23 0.12 0.00 0.09 0.00 0.00 178.44 178.89 1yhu h ALA 90 N 1.62 0.28 -0.36 1.53 0.00 -0.53 -0.38 119.26 121.41 1yhu h ALA 90 Ca 0.52 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.42 1yhu h ALA 90 Cb 1.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1yhu h ALA 90 CO -0.27 -0.19 0.12 1.25 0.00 0.00 0.00 179.25 180.16 1yhu h HIS 91 N 0.25 0.21 -0.82 0.00 -0.00 -0.29 -1.23 115.15 113.28 1yhu h HIS 91 Ca 0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1yhu h HIS 91 Cb 0.06 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 1yhu h HIS 91 CO -0.04 0.08 0.50 -0.07 -0.00 0.00 0.00 177.93 178.41 1yhu h LEU 92 N 0.27 0.98 -0.21 0.26 3.38 -0.72 -1.93 115.31 117.33 1yhu h LEU 92 Ca 0.17 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1yhu h LEU 92 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1yhu h LEU 92 CO -0.17 0.74 0.07 0.00 0.09 0.00 0.00 178.44 179.17 1yhu h ALA 93 N 1.43 0.23 -0.01 1.53 0.00 0.04 -1.63 119.26 120.85 1yhu h ALA 93 Ca 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1yhu h ALA 93 Cb -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yhu h ALA 93 CO -0.06 -0.35 -0.14 0.87 0.00 0.00 0.00 179.25 179.56 1yhu h LYS 94 N 0.17 0.01 0.00 0.00 1.57 -0.84 0.61 116.57 118.09 1yhu h LYS 94 Ca 0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1yhu h LYS 94 Cb 0.06 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1yhu h LYS 94 CO -0.09 0.16 0.00 1.96 -0.57 0.00 0.00 179.45 180.91 1yhu h GLN 95 N 0.01 0.00 0.00 3.15 4.20 -0.54 -3.12 115.11 118.81 1yhu h GLN 95 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 1yhu h GLN 95 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1yhu h GLN 95 CO 0.02 0.00 -1.84 0.72 -0.67 0.00 0.00 178.83 177.06 1yhu n HIS 96 N -2.76 0.00 0.00 2.96 8.25 -0.32 -4.86 115.22 118.48 1yhu n HIS 96 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1yhu n HIS 96 Cb 0.27 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1yhu n HIS 96 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1yhu n GLU 97 N -2.26 0.00 0.50 -0.41 2.13 0.06 -1.19 120.64 119.46 1yhu n GLU 97 Ca -0.12 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.51 1yhu n GLU 97 Cb 0.66 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.27 1yhu n GLU 97 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1yhu h THR 98 N 0.00 0.00 -0.87 6.31 2.02 -1.89 -3.45 112.91 115.03 1yhu h THR 98 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 1yhu h THR 98 Cb 0.00 0.00 0.09 0.00 -1.74 0.00 0.00 68.15 66.50 1yhu h THR 98 CO 0.00 0.00 -0.42 0.54 0.37 0.00 0.00 175.52 176.01 1yhu n ARG 99 N -5.40 0.00 -1.73 6.66 1.74 -0.33 -4.81 116.66 112.78 1yhu n ARG 99 Ca -0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.57 1yhu n ARG 99 Cb 0.50 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 31.00 1yhu n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yhu n GLY 100 N 1.70 4.77 3.62 -0.13 0.00 -1.26 -4.95 105.19 108.94 1yhu n GLY 100 Ca 0.16 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1yhu n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yhu s VAL 101 N -0.78 3.93 0.68 1.61 -7.23 -1.26 -5.00 120.40 112.35 1yhu s VAL 101 Ca 0.58 1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 61.67 1yhu s VAL 101 Cb 0.23 -4.01 0.02 0.00 0.56 0.00 0.00 36.38 33.18 1yhu s VAL 101 CO -0.11 -0.48 1.05 -1.61 -0.31 0.00 0.00 175.10 173.64 1yhu s GLU 102 N 4.56 2.79 0.14 4.82 0.41 -1.26 -4.96 118.70 125.20 1yhu s GLU 102 Ca 0.63 0.29 -0.18 0.00 -0.41 0.00 0.00 54.97 55.31 1yhu s GLU 102 Cb -0.19 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.06 1yhu s GLU 102 CO 0.27 -1.00 1.79 0.00 -0.49 0.00 0.00 175.26 175.84 1yhu h ALA 103 N -0.56 0.40 -0.23 5.21 0.00 -2.01 -1.92 119.26 120.15 1yhu h ALA 103 Ca -0.45 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1yhu h ALA 103 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1yhu h ALA 103 CO 0.63 -0.12 0.23 0.00 0.00 0.00 0.00 179.25 179.99 1yhu h ALA 104 N 1.10 1.93 -0.37 0.00 0.00 -1.99 -0.59 119.26 119.34 1yhu h ALA 104 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1yhu h ALA 104 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yhu h ALA 104 CO -0.02 -0.35 -0.08 0.45 0.00 0.00 0.00 179.25 179.25 1yhu h HIS 105 N 0.00 0.79 -0.40 0.00 3.86 -1.72 -2.04 115.15 115.64 1yhu h HIS 105 Ca 0.11 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1yhu h HIS 105 Cb 0.57 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1yhu h HIS 105 CO 0.00 0.85 -0.16 1.88 0.86 0.00 0.00 177.93 181.35 1yhu h TYR 106 N 0.50 0.83 -0.35 2.45 -1.99 -1.08 -1.87 116.97 115.46 1yhu h TYR 106 Ca 0.09 -0.17 0.05 0.00 2.00 0.00 0.00 58.73 60.70 1yhu h TYR 106 Cb 0.58 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.07 1yhu h TYR 106 CO 0.05 0.86 0.10 -0.44 -0.00 0.00 0.00 178.16 178.72 1yhu h ASP 107 N 0.66 0.07 0.80 3.88 3.45 -1.15 0.17 116.42 124.31 1yhu h ASP 107 Ca 0.10 0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 1yhu h ASP 107 Cb 0.65 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1yhu h ASP 107 CO 0.05 0.08 -0.46 0.74 -1.57 0.00 0.00 179.24 178.07 1yhu h THR 108 N 0.23 0.00 -0.78 0.35 2.02 -1.06 0.46 112.91 114.13 1yhu h THR 108 Ca 0.16 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.49 1yhu h THR 108 Cb 0.16 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.47 1yhu h THR 108 CO -0.19 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.62 1yhu h VAL 109 N -1.17 0.67 0.11 3.16 2.07 -1.17 0.15 116.25 120.06 1yhu h VAL 109 Ca -0.11 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1yhu h VAL 109 Cb 0.93 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1yhu h VAL 109 CO 0.13 0.09 -0.11 0.78 0.02 0.00 0.00 177.57 178.48 1yhu h ASN 110 N 0.48 -0.28 -0.12 0.57 -0.26 -0.45 0.31 115.58 115.84 1yhu h ASN 110 Ca 0.43 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 56.25 1yhu h ASN 110 Cb 0.66 0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.96 1yhu h ASN 110 CO -0.40 -0.17 -0.30 -0.74 -1.06 0.00 0.00 177.43 174.77 1yhu h HIS 111 N -0.24 -0.81 -0.32 1.19 2.76 0.47 -1.66 115.15 116.54 1yhu h HIS 111 Ca 0.00 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1yhu h HIS 111 Cb 0.23 0.37 -0.08 0.00 1.55 0.00 0.00 27.41 29.49 1yhu h HIS 111 CO -0.12 -0.38 -0.21 0.00 -1.30 0.00 0.00 177.93 175.93 1yhu h ALA 112 N 0.48 0.00 -0.79 5.26 0.00 -0.44 0.52 119.26 124.29 1yhu h ALA 112 Ca 0.09 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1yhu h ALA 112 Cb 0.52 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1yhu h ALA 112 CO -0.33 -0.60 0.43 0.28 0.00 0.00 0.00 179.25 179.02 1yhu h VAL 113 N -0.17 0.86 -0.48 0.00 2.07 -0.48 0.32 116.25 118.36 1yhu h VAL 113 Ca 0.17 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1yhu h VAL 113 Cb 0.43 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1yhu h VAL 113 CO -0.43 0.13 0.13 0.24 0.02 0.00 0.00 177.57 177.66 1yhu h MET 114 N 0.70 0.75 -0.37 1.57 2.86 -0.26 0.82 114.93 121.00 1yhu h MET 114 Ca 0.39 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.91 1yhu h MET 114 Cb 0.41 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1yhu h MET 114 CO -0.27 0.73 0.07 0.52 1.06 0.00 0.00 176.91 179.01 1yhu h MET 115 N 0.64 0.18 -0.26 1.72 2.86 0.59 0.29 114.93 120.95 1yhu h MET 115 Ca 0.15 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1yhu h MET 115 Cb 0.31 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1yhu h MET 115 CO -0.00 0.12 0.01 0.78 1.06 0.00 0.00 176.91 178.88 1yhu h GLY 116 N 0.19 0.26 0.99 8.32 0.00 0.16 0.24 103.07 113.23 1yhu h GLY 116 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1yhu h GLY 116 CO -0.24 -0.04 0.12 -2.08 0.00 0.00 0.00 176.54 174.30 1yhu h VAL 117 N 0.09 1.05 -0.43 4.60 2.07 -0.02 -2.61 116.25 121.01 1yhu h VAL 117 Ca 0.12 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1yhu h VAL 117 Cb 0.15 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1yhu h VAL 117 CO -0.20 0.05 0.25 -0.08 0.02 0.00 0.00 177.57 177.61 1yhu h GLU 118 N 0.24 0.48 -0.96 1.57 4.81 -0.02 -0.94 114.58 119.76 1yhu h GLU 118 Ca 0.07 -0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.49 1yhu h GLU 118 Cb -0.02 -0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.14 1yhu h GLU 118 CO -0.01 0.32 0.53 -0.97 -0.73 0.00 0.00 179.01 178.15 1yhu h ASN 119 N 0.50 0.59 0.05 1.04 -0.00 -0.20 0.61 115.58 118.16 1yhu h ASN 119 Ca 0.17 0.13 -0.13 0.00 -0.00 0.00 0.00 56.30 56.48 1yhu h ASN 119 Cb 0.03 0.05 -0.00 0.00 -0.00 0.00 0.00 38.32 38.39 1yhu h ASN 119 CO -0.09 0.11 -0.65 0.58 -0.00 0.00 0.00 177.43 177.39 1yhu h VAL 120 N 0.56 1.44 0.00 2.57 2.07 -1.02 -3.38 116.25 118.49 1yhu h VAL 120 Ca 0.60 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1yhu h VAL 120 Cb 1.09 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1yhu h VAL 120 CO -0.47 0.59 -0.53 2.30 0.02 0.00 0.00 177.57 179.48 1yhu n ILE 121 N -4.36 0.30 0.00 4.57 -5.35 -0.43 -5.03 119.36 109.06 1yhu n ILE 121 Ca -0.18 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1yhu n ILE 121 Cb 0.66 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1yhu n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yhu n GLY 122 N 1.37 0.93 0.21 3.28 0.00 0.21 -4.67 105.19 106.53 1yhu n GLY 122 Ca 0.04 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 1yhu n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yhu h SER 123 N 0.00 0.28 -0.35 1.61 4.64 -1.95 -3.16 113.55 114.62 1yhu h SER 123 Ca 0.00 -0.10 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1yhu h SER 123 Cb 0.00 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 61.93 1yhu h SER 123 CO 0.00 0.59 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.70 1yhu h GLU 124 N 0.24 -0.40 -4.67 4.77 3.07 -1.96 -3.34 114.58 112.29 1yhu h GLU 124 Ca 0.03 0.03 -0.68 0.00 -0.50 0.00 0.00 59.36 58.24 1yhu h GLU 124 Cb 0.68 0.09 -0.35 0.00 -0.84 0.00 0.00 28.75 28.33 1yhu h GLU 124 CO 0.05 -0.27 -0.66 0.54 -1.40 0.00 0.00 179.01 177.27 1yhu s VAL 125 N -5.73 2.92 -0.35 3.13 0.11 -1.19 -4.99 120.40 114.30 1yhu s VAL 125 Ca -0.15 -1.76 0.02 0.00 -2.93 0.00 0.00 61.98 57.17 1yhu s VAL 125 Cb 0.09 -2.86 0.19 0.00 -1.53 0.00 0.00 36.38 32.27 1yhu s VAL 125 CO 0.63 -0.36 0.74 0.12 -3.33 0.00 0.00 175.10 172.90 1yhu s PHE 126 N 1.15 -1.39 -0.65 1.54 5.36 -1.26 -4.55 117.98 118.18 1yhu s PHE 126 Ca 0.01 0.44 -0.26 0.00 -0.96 0.00 0.00 56.93 56.17 1yhu s PHE 126 Cb -0.21 0.25 -0.07 0.00 -0.34 0.00 0.00 43.02 42.65 1yhu s PHE 126 CO -0.03 -0.89 2.19 0.34 -1.46 0.00 0.00 175.22 175.37 1yhu s ASP 127 N 2.25 4.64 0.16 6.13 -1.08 -1.26 -4.78 116.67 122.74 1yhu s ASP 127 Ca 0.15 0.38 -0.01 0.00 -0.52 0.00 0.00 52.55 52.56 1yhu s ASP 127 Cb -0.04 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1yhu s ASP 127 CO -0.15 -2.95 1.39 -0.61 0.52 0.00 0.00 175.17 173.37 1yhu h GLN 128 N 15.58 0.35 0.00 4.34 4.15 -1.99 -1.81 115.11 135.74 1yhu h GLN 128 Ca -0.14 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1yhu h GLN 128 Cb 1.14 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1yhu h GLN 128 CO 1.15 0.99 0.00 -0.25 -1.93 0.00 0.00 178.83 178.79 1yhu n ASP 129 N -3.78 0.00 -0.03 -0.69 8.00 -1.26 -1.65 116.55 117.14 1yhu n ASP 129 Ca -0.05 -0.62 -0.08 0.00 0.71 0.00 0.00 54.79 54.76 1yhu n ASP 129 Cb 0.76 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 1yhu n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yhu n ALA 130 N -0.89 2.54 0.36 2.24 0.00 -1.06 -4.48 120.51 119.22 1yhu n ALA 130 Ca 0.10 -0.28 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 1yhu n ALA 130 Cb 0.04 0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1yhu n ALA 130 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1yhu h TRP 131 N -0.26 -1.02 -0.46 0.00 4.06 -1.23 -1.95 115.95 115.10 1yhu h TRP 131 Ca -0.18 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.80 1yhu h TRP 131 Cb 1.13 0.36 -0.06 0.00 -1.00 0.00 0.00 29.16 29.60 1yhu h TRP 131 CO -0.03 -0.58 -0.27 1.17 -3.56 0.00 0.00 178.44 175.17 1yhu n LYS 132 N -5.52 -0.20 -0.11 0.49 3.00 -0.66 0.09 118.16 115.25 1yhu n LYS 132 Ca -0.13 1.14 -0.10 0.00 -0.00 0.00 0.00 58.31 59.22 1yhu n LYS 132 Cb 0.41 -1.69 -0.02 0.00 0.00 0.00 0.00 35.03 33.73 1yhu n LYS 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1yhu h PRO 133 N 0.00 0.53 -0.37 1.64 0.13 -1.78 -2.72 132.00 129.43 1yhu h PRO 133 Ca 0.07 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1yhu h PRO 133 Cb 0.19 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1yhu h PRO 133 CO -0.43 0.60 0.07 0.00 -0.23 0.00 0.00 178.00 178.01 1yhu h LEU 135 N 0.54 0.80 -0.86 0.00 3.38 -0.28 -2.69 115.31 116.21 1yhu h LEU 135 Ca 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1yhu h LEU 135 Cb 0.24 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1yhu h LEU 135 CO -0.00 0.97 0.32 0.78 0.09 0.00 0.00 178.44 180.60 1yhu h ASN 136 N 0.70 1.06 -0.83 -0.43 2.35 -0.99 0.30 115.58 117.74 1yhu h ASN 136 Ca 0.10 -0.16 0.15 0.00 -0.55 0.00 0.00 56.30 55.85 1yhu h ASN 136 Cb 0.69 -0.27 -0.10 0.00 0.05 0.00 0.00 38.32 38.69 1yhu h ASN 136 CO 0.05 0.94 0.40 0.58 -1.65 0.00 0.00 177.43 177.75 1yhu h VAL 137 N 1.13 0.69 0.00 2.81 2.07 -0.99 0.98 116.25 122.95 1yhu h VAL 137 Ca 0.26 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1yhu h VAL 137 Cb 0.20 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1yhu h VAL 137 CO -0.02 0.10 -0.00 0.40 0.02 0.00 0.00 177.57 178.07 1yhu h ILE 138 N 0.56 1.41 0.25 4.57 2.04 -1.19 -2.74 117.51 122.41 1yhu h ILE 138 Ca 0.46 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1yhu h ILE 138 Cb 0.68 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1yhu h ILE 138 CO -0.38 0.31 -0.19 0.74 0.00 0.00 0.00 178.15 178.63 1yhu h THR 139 N -0.52 0.60 0.00 -0.27 2.02 -0.07 -1.43 112.91 113.24 1yhu h THR 139 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1yhu h THR 139 Cb 0.52 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1yhu h THR 139 CO 0.00 0.00 0.08 0.78 0.37 0.00 0.00 175.52 176.75 1yhu h ASN 140 N -0.44 0.00 0.00 4.18 -0.26 0.90 0.29 115.58 120.26 1yhu h ASN 140 Ca -0.02 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1yhu h ASN 140 Cb 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1yhu h ASN 140 CO -0.01 0.00 -0.00 1.23 -1.06 0.00 0.00 177.43 177.59 1yhu h GLY 141 N 0.00 -0.00 1.80 2.83 0.00 -0.98 -3.24 103.07 103.48 1yhu h GLY 141 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1yhu h GLY 141 CO 0.00 -0.00 0.01 -2.22 0.00 0.00 0.00 176.54 174.33 1yhu h ILE 142 N -0.96 1.11 -0.92 2.60 2.04 -0.29 -2.60 117.51 118.49 1yhu h ILE 142 Ca -0.00 -0.42 0.24 0.00 1.00 0.00 0.00 64.86 65.67 1yhu h ILE 142 Cb 0.89 0.97 -0.17 0.00 -0.74 0.00 0.00 36.82 37.78 1yhu h ILE 142 CO 0.00 0.14 0.03 -0.61 0.00 0.00 0.00 178.15 177.71 1yhu h GLN 143 N 0.25 0.05 0.00 2.37 5.75 -0.50 -3.39 115.11 119.65 1yhu h GLN 143 Ca 0.06 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1yhu h GLN 143 Cb 0.16 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1yhu h GLN 143 CO 0.00 0.03 0.00 0.41 -2.65 0.00 0.00 178.83 176.63