#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 -2.37 1.24 0.18 -1.26 -4.82 117.16 110.12 1yhu n TYR 2 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 1yhu n TYR 2 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 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 0.00-11.72 -1.62 -3.48 0.31 -1.26 -4.71 118.33 95.85 1yhu n VAL 3 Ca 0.00 2.52 -0.40 0.00 -0.01 0.00 0.00 64.34 66.44 1yhu n VAL 3 Cb 0.00 -6.04 -0.04 0.00 -0.91 0.00 0.00 33.84 26.85 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 4.68 1.56 0.38 0.00 0.00 -1.26 -4.73 107.32 107.96 1yhu s GLY 5 Ca 0.56 -0.20 0.08 0.00 0.00 0.00 0.00 44.72 45.16 1yhu s GLY 5 CO 0.06 0.46 1.96 -0.56 0.00 0.00 0.00 173.10 175.03 1yhu h PRO 6 N -2.27 0.65 -0.21 2.90 0.13 -1.98 -1.61 132.00 129.60 1yhu h PRO 6 Ca -0.58 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.38 1yhu h PRO 6 Cb 1.33 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1yhu h PRO 6 CO 0.53 0.43 -0.39 -0.07 -0.23 0.00 0.00 178.00 178.26 1yhu h LEU 7 N 0.67 0.71 -1.42 1.56 3.38 -1.98 -2.38 115.31 115.85 1yhu h LEU 7 Ca 0.30 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1yhu h LEU 7 Cb 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1yhu h LEU 7 CO -0.10 1.12 0.42 1.56 0.09 0.00 0.00 178.44 181.53 1yhu h GLN 8 N 0.33 0.75 -0.14 1.13 1.08 -1.75 -1.13 115.11 115.39 1yhu h GLN 8 Ca 0.01 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1yhu h GLN 8 Cb 0.99 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1yhu h GLN 8 CO 0.09 0.49 0.02 0.00 -0.95 0.00 0.00 178.83 178.48 1yhu h ARG 9 N 0.77 0.23 -0.73 1.46 3.08 -1.21 0.78 114.38 118.76 1yhu h ARG 9 Ca 0.25 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.33 1yhu h ARG 9 Cb 0.03 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1yhu h ARG 9 CO -0.06 0.43 0.36 -0.07 -1.07 0.00 0.00 179.97 179.55 1yhu h LEU 10 N 0.00 0.46 0.49 3.04 3.38 -0.81 0.34 115.31 122.22 1yhu h LEU 10 Ca 0.04 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1yhu h LEU 10 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1yhu h LEU 10 CO 0.00 0.25 -0.24 0.50 0.09 0.00 0.00 178.44 179.05 1yhu h LYS 11 N 0.60 -0.64 -0.71 1.13 1.63 -0.88 -0.96 116.57 116.73 1yhu h LYS 11 Ca 0.37 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.27 1yhu h LYS 11 Cb 0.41 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.13 1yhu h LYS 11 CO -0.29 -0.41 0.41 0.28 -3.45 0.00 0.00 179.45 175.99 1yhu h VAL 12 N -0.69 0.98 -0.17 2.00 2.07 -0.31 0.62 116.25 120.74 1yhu h VAL 12 Ca -0.07 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1yhu h VAL 12 Cb 0.52 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1yhu h VAL 12 CO 0.11 0.14 -0.27 0.11 0.02 0.00 0.00 177.57 177.68 1yhu h LYS 13 N 0.74 -0.30 -0.28 1.57 1.57 0.00 0.48 116.57 120.35 1yhu h LYS 13 Ca 0.32 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1yhu h LYS 13 Cb 0.20 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1yhu h LYS 13 CO -0.19 -0.20 0.10 -0.09 -0.57 0.00 0.00 179.45 178.50 1yhu h ARG 14 N -0.32 0.43 -0.61 3.15 2.43 -0.32 -0.84 114.38 118.30 1yhu h ARG 14 Ca 0.11 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1yhu h ARG 14 Cb 0.49 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1yhu h ARG 14 CO -0.35 0.47 0.17 1.96 -1.51 0.00 0.00 179.97 180.71 1yhu h GLN 15 N 0.29 0.93 -0.70 0.20 4.20 -0.53 -1.34 115.11 118.17 1yhu h GLN 15 Ca 0.09 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1yhu h GLN 15 Cb 0.22 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1yhu h GLN 15 CO -0.00 0.82 0.42 2.35 -0.67 0.00 0.00 178.83 181.74 1yhu h TRP 16 N 0.90 0.93 -0.46 2.96 2.91 0.19 -1.80 115.95 121.58 1yhu h TRP 16 Ca 0.20 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.31 1yhu h TRP 16 Cb 0.29 -0.30 -0.09 0.00 -0.51 0.00 0.00 29.16 28.55 1yhu h TRP 16 CO 0.02 0.63 -0.16 0.00 -1.03 0.00 0.00 178.44 177.90 1yhu h ALA 17 N 1.22 0.22 -0.57 2.65 0.00 -0.06 0.29 119.26 123.01 1yhu h ALA 17 Ca 0.25 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1yhu h ALA 17 Cb -0.02 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1yhu h ALA 17 CO -0.05 -0.50 0.27 1.49 0.00 0.00 0.00 179.25 180.47 1yhu h GLU 18 N -0.06 0.82 -0.22 0.00 4.81 -0.77 -2.90 114.58 116.26 1yhu h GLU 18 Ca 0.22 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1yhu h GLU 18 Cb 0.40 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1yhu h GLU 18 CO -0.50 0.67 -0.16 0.00 -0.73 0.00 0.00 179.01 178.28 1yhu h ALA 19 N 1.11 0.31 0.00 2.92 0.00 -0.50 -2.25 119.26 120.84 1yhu h ALA 19 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yhu h ALA 19 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1yhu h ALA 19 CO -0.02 0.21 0.00 0.98 0.00 0.00 0.00 179.25 180.41 1yhu n TYR 20 N -4.47 0.00 0.00 0.00 9.36 0.94 -4.91 117.16 118.08 1yhu n TYR 20 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1yhu n TYR 20 Cb 0.38 -0.05 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 0.56 0.12 2.98 0.00 -0.85 -4.28 105.19 103.89 1yhu n GLY 21 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.01 1.72 0.00 1.61 7.64 -1.26 -4.83 113.62 116.49 1yhu n SER 22 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1yhu n SER 22 Cb 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 1.90 -0.34 0.34 0.23 0.00 -1.26 -5.08 105.19 100.98 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 -0.14 0.00 0.00 1.23 0.00 0.00 39.78 40.87 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 -2.01 0.00 0.24 1.20 3.41 -1.26 -2.81 113.62 112.39 1yhu n SER 25 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1yhu n SER 25 Cb 0.00 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.02 4.33 3.08 -1.89 0.89 114.38 120.76 1yhu h ARG 26 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yhu h ARG 26 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 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 0.04 -0.33 0.04 4.81 -1.90 0.17 114.58 117.40 1yhu h GLU 27 Ca -0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1yhu h GLU 27 Cb 0.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1yhu h GLU 27 CO 0.01 0.24 -0.27 1.49 -0.73 0.00 0.00 179.01 179.75 1yhu h GLU 28 N -0.17 0.68 -0.56 1.92 4.81 -1.69 0.59 114.58 120.17 1yhu h GLU 28 Ca 0.01 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1yhu h GLU 28 Cb 0.21 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1yhu h GLU 28 CO -0.00 0.88 0.27 0.35 -0.73 0.00 0.00 179.01 179.78 1yhu h PHE 29 N 0.59 0.79 0.23 0.92 3.57 -0.66 0.13 116.94 122.51 1yhu h PHE 29 Ca 0.08 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1yhu h PHE 29 Cb 0.76 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1yhu h PHE 29 CO 0.04 0.61 -0.11 0.78 -2.23 0.00 0.00 178.31 177.40 1yhu h GLY 30 N 0.75 -0.32 -0.11 2.40 0.00 -0.41 -2.73 103.07 102.65 1yhu h GLY 30 Ca 0.19 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.73 1yhu h GLY 30 CO -0.03 -0.12 -0.26 0.84 0.00 0.00 0.00 176.54 176.98 1yhu h HIS 31 N -0.53 -0.70 -0.08 5.60 -0.00 -0.58 -1.86 115.15 117.00 1yhu h HIS 31 Ca -0.03 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 1yhu h HIS 31 Cb 0.39 0.37 -0.06 0.00 -0.00 0.00 0.00 27.41 28.11 1yhu h HIS 31 CO -0.00 -0.34 -0.47 0.35 -0.00 0.00 0.00 177.93 177.47 1yhu h PHE 32 N -0.18 -1.37 0.00 5.26 3.57 -0.71 0.30 116.94 123.81 1yhu h PHE 32 Ca 0.19 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1yhu h PHE 32 Cb 0.49 0.61 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1yhu h PHE 32 CO -0.50 -0.52 0.00 -0.89 -2.23 0.00 0.00 178.31 174.17 1yhu n ILE 33 N -5.45 0.00 -0.29 1.41 5.41 -0.88 -0.70 119.36 118.87 1yhu n ILE 33 Ca -0.05 1.31 0.21 0.00 1.00 0.00 0.00 62.75 65.22 1yhu n ILE 33 Cb 0.38 -2.04 0.51 0.00 -0.71 0.00 0.00 39.64 37.78 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 0.26 1.39 4.06 -1.33 0.21 115.95 121.13 1yhu h TRP 34 Ca 0.00 0.02 -0.01 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 27.98 1yhu h TRP 34 CO -0.26 0.11 -0.15 1.03 -3.56 0.00 0.00 178.44 175.61 1yhu h SER 35 N 0.40 -0.37 -0.84 -3.49 0.87 -0.04 -2.03 113.55 108.06 1yhu h SER 35 Ca 0.53 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 61.15 1yhu h SER 35 Cb 1.35 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.37 1yhu h SER 35 CO -0.23 -0.24 0.53 -0.74 -0.53 0.00 0.00 176.83 175.62 1yhu h HIS 36 N -0.39 1.00 -0.24 2.24 -0.00 0.16 -1.63 115.15 116.28 1yhu h HIS 36 Ca -0.03 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1yhu h HIS 36 Cb 0.32 -0.33 -0.05 0.00 -0.00 0.00 0.00 27.41 27.34 1yhu h HIS 36 CO -0.08 0.57 -0.10 0.28 -0.00 0.00 0.00 177.93 178.60 1yhu h VAL 37 N 1.03 0.66 0.00 5.26 2.07 -0.40 -1.74 116.25 123.13 1yhu h VAL 37 Ca 0.34 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 1yhu h VAL 37 Cb 0.02 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1yhu h VAL 37 CO -0.12 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.19 1yhu h PHE 38 N -0.07 0.00 -0.14 1.57 0.05 -1.02 -0.16 116.94 117.17 1yhu h PHE 38 Ca 0.13 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.80 1yhu h PHE 38 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.19 1yhu h PHE 38 CO -0.28 0.02 -0.44 1.96 -0.18 0.00 0.00 178.31 179.39 1yhu h GLN 39 N 0.00 0.32 0.00 1.51 4.20 -0.44 -2.22 115.11 118.48 1yhu h GLN 39 Ca -0.00 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1yhu h GLN 39 Cb 0.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1yhu h GLN 39 CO 0.00 0.70 -0.15 0.45 -0.67 0.00 0.00 178.83 179.17 1yhu h HIS 40 N 0.26 0.00 -3.12 2.96 3.86 -1.02 -3.42 115.15 114.68 1yhu h HIS 40 Ca 0.02 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.57 1yhu h HIS 40 Cb 0.88 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.96 1yhu h HIS 40 CO 0.02 0.62 -0.34 0.43 0.86 0.00 0.00 177.93 179.52 1yhu n SER 41 N -4.66 3.66 0.06 2.45 7.64 -0.11 -4.92 113.62 117.75 1yhu n SER 41 Ca -0.08 -3.20 0.19 0.00 1.01 0.00 0.00 58.87 56.79 1yhu n SER 41 Cb 0.31 -0.89 0.72 0.00 -1.01 0.00 0.00 64.21 63.34 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 5.56 0.00 -0.66 1.43 0.13 -1.65 -0.74 132.00 136.07 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 0.77 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 1yhu h PRO 42 CO 0.80 0.00 0.10 0.00 -0.23 0.00 0.00 178.00 178.67 1yhu h ALA 43 N 1.72 0.92 -1.19 -0.56 0.00 -1.91 -3.08 119.26 115.15 1yhu h ALA 43 Ca 0.21 -0.28 0.35 0.00 0.00 0.00 0.00 54.91 55.19 1yhu h ALA 43 Cb 0.90 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1yhu h ALA 43 CO -0.00 0.67 0.92 0.00 0.00 0.00 0.00 179.25 180.83 1yhu h ALA 44 N 1.07 3.10 -0.92 0.00 0.00 -1.51 -0.02 119.26 120.98 1yhu h ALA 44 Ca 0.20 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.29 1yhu h ALA 44 Cb 0.45 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1yhu h ALA 44 CO 0.01 -1.54 0.61 0.00 0.00 0.00 0.00 179.25 178.34 1yhu h ARG 45 N 0.00 0.35 -0.05 0.00 3.08 -1.69 -0.93 114.38 115.14 1yhu h ARG 45 Ca 0.57 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.61 1yhu h ARG 45 Cb 2.40 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 32.37 1yhu h ARG 45 CO -0.01 0.23 0.14 -0.44 -1.07 0.00 0.00 179.97 178.83 1yhu h ASP 46 N 0.36 0.00 1.84 7.04 3.45 -1.24 -0.31 116.42 127.57 1yhu h ASP 46 Ca 0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.94 1yhu h ASP 46 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 1yhu h ASP 46 CO -0.17 0.00 0.00 0.24 -1.57 0.00 0.00 179.24 177.74 1yhu h MET 47 N 0.00 0.00 -0.78 3.56 2.86 -1.38 -3.28 114.93 115.91 1yhu h MET 47 Ca 0.02 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.22 1yhu h MET 47 Cb 0.31 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 31.72 1yhu h MET 47 CO -0.00 0.00 0.37 1.19 1.06 0.00 0.00 176.91 179.53 1yhu n PHE 48 N -2.98 2.45 0.20 -0.22 3.01 -0.13 -4.66 117.46 115.14 1yhu n PHE 48 Ca 0.04 -1.98 0.16 0.00 1.01 0.00 0.00 57.45 56.68 1yhu n PHE 48 Cb 0.50 -0.85 0.80 0.00 -0.01 0.00 0.00 39.48 39.91 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 1.22 0.00 0.00 -1.08 1.57 -1.66 -0.49 116.57 116.13 1yhu h LYS 49 Ca 0.49 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.14 1yhu h LYS 49 Cb 2.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.39 1yhu h LYS 49 CO 0.94 0.00 -0.61 -0.09 -0.57 0.00 0.00 179.45 179.12 1yhu h ARG 50 N 0.00 0.00 -0.84 3.15 2.43 -1.92 -3.32 114.38 113.88 1yhu h ARG 50 Ca 0.09 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.68 1yhu h ARG 50 Cb 0.44 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.59 1yhu h ARG 50 CO -0.00 0.61 -0.46 1.33 -1.51 0.00 0.00 179.97 179.94 1yhu n VAL 51 N -3.54 2.75 -3.92 0.20 0.24 -0.59 -4.95 118.33 108.52 1yhu n VAL 51 Ca -0.00 -4.00 -0.30 0.00 -2.04 0.00 0.00 64.34 58.00 1yhu n VAL 51 Cb 0.67 -1.15 0.02 0.00 -1.47 0.00 0.00 33.84 31.91 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 -0.74 -5.38 0.00 7.34 5.12 -1.18 -3.19 116.66 118.63 1yhu n ARG 52 Ca 0.48 0.59 0.00 0.00 -1.93 0.00 0.00 57.85 56.98 1yhu n ARG 52 Cb 0.89 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.75 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 -1.68 -0.26 0.09 -0.13 0.00 -0.30 -0.22 105.19 102.70 1yhu n GLY 53 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.99 1.61 2.03 -1.84 -3.42 116.42 111.81 1yhu h ASP 54 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1yhu h ASP 54 Cb 0.08 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.18 1yhu h ASP 54 CO 0.00 0.80 -0.78 0.21 -1.03 0.00 0.00 179.24 178.43 1yhu s ASN 55 N -6.40 3.53 0.07 4.15 3.04 0.70 -4.97 114.94 115.06 1yhu s ASN 55 Ca 0.00 -1.95 0.12 0.00 0.04 0.00 0.00 52.86 51.08 1yhu s ASN 55 Cb 0.09 -0.66 0.54 0.00 -1.54 0.00 0.00 41.25 39.68 1yhu s ASN 55 CO 0.80 -0.36 1.38 2.30 -3.04 0.00 0.00 177.10 178.18 1yhu n ILE 56 N 4.41 1.28 -1.21 -5.21 -5.35 -1.25 -2.91 119.36 109.11 1yhu n ILE 56 Ca 0.04 0.37 -0.19 0.00 -0.27 0.00 0.00 62.75 62.69 1yhu n ILE 56 Cb 0.39 -1.24 -0.09 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 -1.68 0.89 -4.18 4.28 8.25 -1.26 -4.11 115.22 117.40 1yhu n HIS 57 Ca 0.02 -1.73 -0.17 0.00 -0.26 0.00 0.00 57.72 55.58 1yhu n HIS 57 Cb 0.12 -1.40 -0.15 0.00 1.12 0.00 0.00 29.99 29.68 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 -0.87 0.48 0.31 1.59 2.01 -1.14 -5.01 115.64 113.00 1yhu s THR 58 Ca 0.57 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.45 1yhu s THR 58 Cb 0.33 -0.44 0.31 0.00 0.01 0.00 0.00 72.50 72.71 1yhu s THR 58 CO -0.11 0.16 1.71 1.55 -0.69 0.00 0.00 174.62 177.24 1yhu h PRO 59 N 6.39 0.46 0.14 4.92 0.13 -1.92 0.76 132.00 142.88 1yhu h PRO 59 Ca -0.32 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1yhu h PRO 59 Cb 1.17 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1yhu h PRO 59 CO 0.49 0.30 -0.30 0.00 -0.23 0.00 0.00 178.00 178.26 1yhu h ALA 60 N 1.74 -0.53 -0.32 -0.56 0.00 -1.94 0.32 119.26 117.97 1yhu h ALA 60 Ca 0.63 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.35 1yhu h ALA 60 Cb 1.23 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1yhu h ALA 60 CO -0.52 -0.85 -0.34 0.35 0.00 0.00 0.00 179.25 177.89 1yhu h PHE 61 N -0.54 0.95 -0.93 0.00 3.57 -0.77 -2.15 116.94 117.07 1yhu h PHE 61 Ca 0.03 -0.29 0.13 0.00 3.53 0.00 0.00 57.97 61.36 1yhu h PHE 61 Cb 0.56 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 1yhu h PHE 61 CO -0.26 1.07 0.55 0.00 -2.23 0.00 0.00 178.31 177.44 1yhu h ARG 62 N 0.56 0.82 -0.74 1.11 3.08 0.57 0.40 114.38 120.17 1yhu h ARG 62 Ca 0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1yhu h ARG 62 Cb 0.92 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 1yhu h ARG 62 CO 0.08 0.54 0.29 0.00 -1.07 0.00 0.00 179.97 179.81 1yhu h ALA 63 N 1.54 0.97 0.83 0.04 0.00 -0.72 -0.66 119.26 121.26 1yhu h ALA 63 Ca 0.48 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1yhu h ALA 63 Cb 0.55 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1yhu h ALA 63 CO -0.30 0.60 -0.48 1.25 0.00 0.00 0.00 179.25 180.33 1yhu h HIS 64 N 1.07 -1.26 -1.03 0.00 -0.00 0.32 -2.09 115.15 112.17 1yhu h HIS 64 Ca 0.25 -0.02 0.26 0.00 -0.00 0.00 0.00 60.37 60.86 1yhu h HIS 64 Cb 0.23 0.44 -0.10 0.00 -0.00 0.00 0.00 27.41 27.98 1yhu h HIS 64 CO 0.02 -0.73 0.65 0.00 -0.00 0.00 0.00 177.93 177.87 1yhu h ALA 65 N -1.13 2.11 -0.36 5.26 0.00 -0.56 0.39 119.26 124.96 1yhu h ALA 65 Ca -0.11 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1yhu h ALA 65 Cb 0.96 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1yhu h ALA 65 CO 0.14 -0.53 0.11 1.15 0.00 0.00 0.00 179.25 180.11 1yhu h THR 66 N 0.45 0.86 -0.36 0.00 2.02 -0.49 -0.56 112.91 114.83 1yhu h THR 66 Ca 0.61 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1yhu h THR 66 Cb 1.42 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1yhu h THR 66 CO -0.34 0.04 0.23 0.03 0.37 0.00 0.00 175.52 175.85 1yhu h ARG 67 N 0.24 0.48 0.33 6.66 3.08 0.38 -0.72 114.38 124.83 1yhu h ARG 67 Ca 0.17 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1yhu h ARG 67 Cb 0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1yhu h ARG 67 CO -0.19 0.33 -0.24 0.28 -1.07 0.00 0.00 179.97 179.08 1yhu h VAL 68 N 0.48 0.00 -0.91 2.04 2.07 -0.65 0.14 116.25 119.42 1yhu h VAL 68 Ca 0.13 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.83 1yhu h VAL 68 Cb -0.03 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.66 1yhu h VAL 68 CO -0.03 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.08 1yhu h LEU 69 N -0.54 0.55 -0.11 2.57 4.07 -1.16 0.14 115.31 120.83 1yhu h LEU 69 Ca -0.04 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1yhu h LEU 69 Cb 0.44 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1yhu h LEU 69 CO 0.02 0.24 0.07 1.23 -1.08 0.00 0.00 178.44 178.92 1yhu h GLY 70 N 0.56 0.16 0.71 0.83 0.00 -0.72 0.33 103.07 104.93 1yhu h GLY 70 Ca 0.47 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.76 1yhu h GLY 70 CO -0.21 0.06 -0.10 -1.33 0.00 0.00 0.00 176.54 174.95 1yhu h GLY 71 N 0.12 -0.10 0.03 4.60 0.00 0.15 -1.73 103.07 106.15 1yhu h GLY 71 Ca 0.04 0.12 0.16 0.00 0.00 0.00 0.00 47.33 47.65 1yhu h GLY 71 CO -0.01 -0.11 0.27 -2.00 0.00 0.00 0.00 176.54 174.69 1yhu h LEU 72 N -0.17 0.20 -0.53 3.11 5.85 -0.38 -0.50 115.31 122.90 1yhu h LEU 72 Ca 0.05 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1yhu h LEU 72 Cb 0.23 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1yhu h LEU 72 CO -0.12 0.04 0.29 -0.78 -0.34 0.00 0.00 178.44 177.53 1yhu h ASP 73 N 0.38 0.44 0.24 1.25 1.82 0.50 -0.44 116.42 120.61 1yhu h ASP 73 Ca 0.43 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.09 1yhu h ASP 73 Cb 0.71 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 1yhu h ASP 73 CO -0.45 0.31 -0.26 0.24 -1.61 0.00 0.00 179.24 177.46 1yhu h MET 74 N 0.57 -0.52 -0.21 0.28 2.86 -0.41 0.21 114.93 117.70 1yhu h MET 74 Ca 0.22 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.95 1yhu h MET 74 Cb 0.09 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 1yhu h MET 74 CO -0.13 -0.35 -0.14 0.00 1.06 0.00 0.00 176.91 177.34 1yhu h ILE 76 N -0.14 1.16 0.00 0.00 2.04 -0.83 0.64 117.51 120.39 1yhu h ILE 76 Ca 0.12 -0.33 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 1yhu h ILE 76 Cb 0.32 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1yhu h ILE 76 CO -0.30 0.17 -0.56 0.00 0.00 0.00 0.00 178.15 177.46 1yhu h ALA 77 N 1.56 1.07 0.00 1.87 0.00 0.11 -2.82 119.26 121.04 1yhu h ALA 77 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1yhu h ALA 77 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1yhu h ALA 77 CO -0.07 0.70 -0.29 1.28 0.00 0.00 0.00 179.25 180.87 1yhu n LEU 78 N -3.86 0.34 -0.56 0.00 7.99 0.18 -4.35 117.00 116.74 1yhu n LEU 78 Ca -0.01 0.24 0.45 0.00 -0.01 0.00 0.00 56.01 56.68 1yhu n LEU 78 Cb 0.57 -0.35 0.75 0.00 -0.11 0.00 0.00 43.42 44.28 1yhu n LEU 78 CO 0.41 0.04 1.37 -0.07 -1.51 0.00 0.00 177.39 177.64 1yhu h LEU 79 N 0.00 0.09 0.00 2.23 3.38 -0.66 0.45 115.31 120.80 1yhu h LEU 79 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1yhu h LEU 79 Cb 0.53 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1yhu h LEU 79 CO 0.00 -0.08 -0.34 -2.24 0.09 0.00 0.00 178.44 175.87 1yhu h ASP 80 N 0.03 0.00 -3.08 -0.43 3.04 -1.82 -3.39 116.42 110.76 1yhu h ASP 80 Ca 0.86 -0.07 -0.72 0.00 -3.24 0.00 0.00 57.03 53.86 1yhu h ASP 80 Cb 3.15 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 41.10 1yhu h ASP 80 CO -0.18 0.04 0.04 -0.67 -2.04 0.00 0.00 179.24 176.43 1yhu n ASP 81 N -2.43 4.67 -0.37 4.15 -0.08 0.16 -4.97 116.55 117.69 1yhu n ASP 81 Ca 0.04 -3.23 -0.09 0.00 -1.51 0.00 0.00 54.79 50.00 1yhu n ASP 81 Cb 0.47 -1.06 -0.08 0.00 2.34 0.00 0.00 41.12 42.79 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 1.91 -0.38 -0.01 -0.67 4.07 -1.26 -0.60 120.64 123.71 1yhu n GLU 82 Ca 0.24 1.33 -0.13 0.00 -0.06 0.00 0.00 57.16 58.55 1yhu n GLU 82 Cb 0.37 -1.96 -0.07 0.00 -0.06 0.00 0.00 31.44 29.72 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 -0.49 -0.31 5.31 0.13 -1.93 -1.70 132.00 133.02 1yhu h PRO 83 Ca 0.15 0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.25 1yhu h PRO 83 Cb 0.37 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1yhu h PRO 83 CO -0.83 -0.32 -0.10 0.28 -0.23 0.00 0.00 178.00 176.80 1yhu h VAL 84 N -0.50 1.22 0.04 1.56 2.07 -1.76 -2.74 116.25 116.15 1yhu h VAL 84 Ca 0.07 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1yhu h VAL 84 Cb 0.64 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1yhu h VAL 84 CO -0.41 0.32 -0.19 0.25 0.02 0.00 0.00 177.57 177.56 1yhu h LEU 85 N 0.48 -0.55 -1.55 2.57 5.85 -0.20 -1.37 115.31 120.54 1yhu h LEU 85 Ca 0.09 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1yhu h LEU 85 Cb 0.46 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1yhu h LEU 85 CO 0.03 -0.26 -0.15 0.78 -0.34 0.00 0.00 178.44 178.50 1yhu h ASN 86 N -0.33 0.10 -0.56 1.25 4.21 -1.18 0.45 115.58 119.51 1yhu h ASN 86 Ca 0.04 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1yhu h ASN 86 Cb 0.38 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.53 1yhu h ASN 86 CO -0.15 0.26 0.30 0.74 -1.29 0.00 0.00 177.43 177.29 1yhu h THR 87 N 0.10 1.19 0.04 2.81 2.02 -1.12 0.23 112.91 118.18 1yhu h THR 87 Ca 0.02 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1yhu h THR 87 Cb 0.33 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1yhu h THR 87 CO 0.02 0.21 -0.02 -0.61 0.37 0.00 0.00 175.52 175.49 1yhu h GLN 88 N 0.75 -0.05 -1.00 6.66 -0.00 -0.23 -2.41 115.11 118.83 1yhu h GLN 88 Ca 0.20 0.00 0.22 0.00 -0.00 0.00 0.00 58.65 59.07 1yhu h GLN 88 Cb 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.45 1yhu h GLN 88 CO -0.03 0.42 0.62 -0.07 0.00 0.00 0.00 178.83 179.77 1yhu h LEU 89 N -0.53 0.62 -0.04 -2.39 3.38 0.09 0.29 115.31 116.71 1yhu h LEU 89 Ca -0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1yhu h LEU 89 Cb 0.49 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1yhu h LEU 89 CO 0.01 0.18 0.03 0.00 0.09 0.00 0.00 178.44 178.74 1yhu h ALA 90 N 1.65 0.05 -0.47 1.53 0.00 -0.36 0.19 119.26 121.86 1yhu h ALA 90 Ca 0.58 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.53 1yhu h ALA 90 Cb 1.16 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1yhu h ALA 90 CO -0.34 -0.42 0.12 1.25 0.00 0.00 0.00 179.25 179.86 1yhu h HIS 91 N 0.01 0.21 -0.88 0.00 -0.00 -0.02 -0.78 115.15 113.70 1yhu h HIS 91 Ca 0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1yhu h HIS 91 Cb 0.04 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 1yhu h HIS 91 CO -0.06 0.04 0.52 -0.07 -0.00 0.00 0.00 177.93 178.36 1yhu h LEU 92 N 0.27 1.06 -0.31 0.26 3.38 -0.71 -2.06 115.31 117.21 1yhu h LEU 92 Ca 0.23 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1yhu h LEU 92 Cb 0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1yhu h LEU 92 CO -0.28 0.82 0.07 0.00 0.09 0.00 0.00 178.44 179.14 1yhu h ALA 93 N 1.28 0.33 0.00 1.53 0.00 0.42 -1.16 119.26 121.66 1yhu h ALA 93 Ca 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1yhu h ALA 93 Cb -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1yhu h ALA 93 CO -0.06 -0.34 -0.13 0.87 0.00 0.00 0.00 179.25 179.60 1yhu h LYS 94 N 0.19 0.00 0.00 0.00 1.57 -0.86 0.95 116.57 118.42 1yhu h LYS 94 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1yhu h LYS 94 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1yhu h LYS 94 CO -0.18 0.13 0.00 1.96 -0.57 0.00 0.00 179.45 180.79 1yhu h GLN 95 N 0.00 0.00 0.00 3.15 4.20 -0.53 -3.12 115.11 118.82 1yhu h GLN 95 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1yhu h GLN 95 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1yhu h GLN 95 CO 0.02 0.00 -1.79 0.72 -0.67 0.00 0.00 178.83 177.10 1yhu n HIS 96 N -2.65 0.00 0.00 2.96 8.25 -0.25 -4.86 115.22 118.67 1yhu n HIS 96 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1yhu n HIS 96 Cb 0.28 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.25 0.00 0.46 -0.41 2.13 0.17 -1.20 120.64 119.54 1yhu n GLU 97 Ca -0.12 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.52 1yhu n GLU 97 Cb 0.65 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 -0.83 6.31 2.02 -1.89 -3.45 112.91 115.07 1yhu h THR 98 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 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 -0.40 0.54 0.37 0.00 0.00 175.52 176.03 1yhu n ARG 99 N -5.21 0.00 -1.73 6.66 1.74 -0.34 -4.81 116.66 112.97 1yhu n ARG 99 Ca -0.15 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.57 1yhu n ARG 99 Cb 0.47 -0.87 -0.03 0.00 -1.02 0.00 0.00 32.46 31.02 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 1.63 4.78 3.62 -0.13 0.00 -1.26 -4.95 105.19 108.87 1yhu n GLY 100 Ca 0.15 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.56 4.00 0.70 1.61 -7.23 -1.26 -5.00 120.40 112.66 1yhu s VAL 101 Ca 0.59 1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 61.73 1yhu s VAL 101 Cb 0.22 -4.15 0.02 0.00 0.56 0.00 0.00 36.38 33.03 1yhu s VAL 101 CO -0.10 -0.59 1.08 -1.61 -0.31 0.00 0.00 175.10 173.56 1yhu s GLU 102 N 4.55 2.81 0.15 4.82 0.41 -1.26 -4.96 118.70 125.23 1yhu s GLU 102 Ca 0.60 0.38 -0.16 0.00 -0.41 0.00 0.00 54.97 55.38 1yhu s GLU 102 Cb -0.16 -2.05 0.02 0.00 -1.78 0.00 0.00 34.13 30.17 1yhu s GLU 102 CO 0.28 -1.03 1.79 0.00 -0.49 0.00 0.00 175.26 175.81 1yhu h ALA 103 N -0.62 0.56 -0.15 5.21 0.00 -2.01 -2.01 119.26 120.24 1yhu h ALA 103 Ca -0.45 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1yhu h ALA 103 Cb 1.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1yhu h ALA 103 CO 0.64 0.05 0.14 0.00 0.00 0.00 0.00 179.25 180.07 1yhu h ALA 104 N 1.13 1.90 -0.27 0.00 0.00 -1.99 -1.24 119.26 118.78 1yhu h ALA 104 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1yhu h ALA 104 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yhu h ALA 104 CO -0.03 -0.22 0.00 0.45 0.00 0.00 0.00 179.25 179.45 1yhu h HIS 105 N 0.00 0.53 -0.61 0.00 3.86 -1.73 -1.99 115.15 115.20 1yhu h HIS 105 Ca 0.07 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 1yhu h HIS 105 Cb 0.35 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 1yhu h HIS 105 CO 0.00 0.63 0.10 1.88 0.86 0.00 0.00 177.93 181.40 1yhu h TYR 106 N 0.27 1.04 -0.50 2.45 -1.99 -1.19 -1.71 116.97 115.34 1yhu h TYR 106 Ca 0.08 -0.13 0.06 0.00 2.00 0.00 0.00 58.73 60.74 1yhu h TYR 106 Cb 0.42 -0.29 -0.05 0.00 2.00 0.00 0.00 36.73 38.80 1yhu h TYR 106 CO 0.03 0.88 0.19 -0.44 -0.00 0.00 0.00 178.16 178.83 1yhu h ASP 107 N 0.93 0.22 0.96 3.88 3.45 -1.18 0.25 116.42 124.93 1yhu h ASP 107 Ca 0.19 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.66 1yhu h ASP 107 Cb 0.40 0.03 0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1yhu h ASP 107 CO 0.01 0.15 -0.46 0.74 -1.57 0.00 0.00 179.24 178.11 1yhu h THR 108 N 0.38 0.04 -0.68 0.35 2.02 -0.93 -0.12 112.91 113.97 1yhu h THR 108 Ca 0.24 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.53 1yhu h THR 108 Cb 0.23 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.60 1yhu h THR 108 CO -0.23 0.00 0.22 0.58 0.37 0.00 0.00 175.52 176.46 1yhu h VAL 109 N -1.31 0.65 -0.12 3.16 2.07 -1.11 0.28 116.25 119.87 1yhu h VAL 109 Ca -0.13 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1yhu h VAL 109 Cb 0.99 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1yhu h VAL 109 CO 0.22 0.07 -0.06 0.78 0.02 0.00 0.00 177.57 178.60 1yhu h ASN 110 N 0.36 -0.19 -0.11 0.57 -0.26 -0.35 0.11 115.58 115.72 1yhu h ASN 110 Ca 0.37 0.05 0.04 0.00 -0.56 0.00 0.00 56.30 56.19 1yhu h ASN 110 Cb 0.55 0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.88 1yhu h ASN 110 CO -0.41 -0.08 -0.15 -0.74 -1.06 0.00 0.00 177.43 175.00 1yhu h HIS 111 N -0.05 -0.37 -0.19 1.19 2.76 0.36 -1.68 115.15 117.17 1yhu h HIS 111 Ca 0.07 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1yhu h HIS 111 Cb 0.14 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 1yhu h HIS 111 CO -0.18 -0.21 -0.17 0.00 -1.30 0.00 0.00 177.93 176.06 1yhu h ALA 112 N 0.85 -0.06 -0.76 5.26 0.00 0.01 0.29 119.26 124.86 1yhu h ALA 112 Ca 0.09 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1yhu h ALA 112 Cb 0.31 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1yhu h ALA 112 CO -0.22 -0.61 0.37 0.28 0.00 0.00 0.00 179.25 179.07 1yhu h VAL 113 N -0.19 0.78 -0.54 0.00 2.07 -0.40 0.34 116.25 118.30 1yhu h VAL 113 Ca 0.12 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1yhu h VAL 113 Cb 0.36 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1yhu h VAL 113 CO -0.30 0.11 0.12 0.24 0.02 0.00 0.00 177.57 177.75 1yhu h MET 114 N 0.58 0.88 -0.42 1.57 2.86 -0.40 0.13 114.93 120.13 1yhu h MET 114 Ca 0.39 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 1yhu h MET 114 Cb 0.49 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1yhu h MET 114 CO -0.32 0.83 0.12 0.52 1.06 0.00 0.00 176.91 179.12 1yhu h MET 115 N 0.77 0.26 -0.21 1.72 2.86 0.75 0.30 114.93 121.38 1yhu h MET 115 Ca 0.17 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1yhu h MET 115 Cb 0.36 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1yhu h MET 115 CO 0.00 0.17 0.01 0.78 1.06 0.00 0.00 176.91 178.93 1yhu h GLY 116 N 0.27 0.21 0.98 8.32 0.00 0.21 0.22 103.07 113.27 1yhu h GLY 116 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1yhu h GLY 116 CO -0.23 -0.03 0.13 -2.08 0.00 0.00 0.00 176.54 174.33 1yhu h VAL 117 N 0.08 1.08 -0.46 4.60 2.07 0.02 -2.60 116.25 121.04 1yhu h VAL 117 Ca 0.10 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1yhu h VAL 117 Cb 0.12 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1yhu h VAL 117 CO -0.16 0.08 0.29 -0.08 0.02 0.00 0.00 177.57 177.72 1yhu h GLU 118 N 0.27 0.56 -0.86 1.57 4.81 -0.09 -0.93 114.58 119.92 1yhu h GLU 118 Ca 0.08 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.47 1yhu h GLU 118 Cb 0.01 -0.13 -0.12 0.00 0.63 0.00 0.00 28.75 29.15 1yhu h GLU 118 CO -0.02 0.37 0.36 -0.97 -0.73 0.00 0.00 179.01 178.03 1yhu h ASN 119 N 0.58 0.30 0.01 1.04 -0.00 -0.26 0.65 115.58 117.91 1yhu h ASN 119 Ca 0.18 0.14 -0.03 0.00 -0.00 0.00 0.00 56.30 56.59 1yhu h ASN 119 Cb -0.02 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.42 1yhu h ASN 119 CO -0.07 0.03 -0.12 0.58 -0.00 0.00 0.00 177.43 177.86 1yhu h VAL 120 N 0.42 1.74 0.00 2.57 2.07 -1.06 -3.37 116.25 118.61 1yhu h VAL 120 Ca 0.51 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1yhu h VAL 120 Cb 0.92 3.35 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 1yhu h VAL 120 CO -0.49 0.61 -0.37 2.30 0.02 0.00 0.00 177.57 179.63 1yhu n ILE 121 N -4.55 0.16 0.00 4.57 -5.35 -0.40 -5.03 119.36 108.76 1yhu n ILE 121 Ca -0.11 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1yhu n ILE 121 Cb 0.52 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 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 1.43 0.81 0.23 3.28 0.00 0.22 -4.66 105.19 106.51 1yhu n GLY 122 Ca 0.05 -1.56 -0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.33 -0.38 1.61 4.64 -1.94 -3.16 113.55 114.65 1yhu h SER 123 Ca 0.00 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1yhu h SER 123 Cb 0.00 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 61.92 1yhu h SER 123 CO 0.00 0.55 -0.54 -0.33 -0.87 0.00 0.00 176.83 175.64 1yhu h GLU 124 N 0.31 -0.39 -4.69 4.77 3.07 -1.96 -3.34 114.58 112.35 1yhu h GLU 124 Ca 0.05 0.03 -0.68 0.00 -0.50 0.00 0.00 59.36 58.26 1yhu h GLU 124 Cb 0.53 0.09 -0.34 0.00 -0.84 0.00 0.00 28.75 28.19 1yhu h GLU 124 CO 0.04 -0.26 -0.67 0.54 -1.40 0.00 0.00 179.01 177.26 1yhu s VAL 125 N -5.68 2.95 -0.35 3.13 0.11 -1.19 -4.98 120.40 114.37 1yhu s VAL 125 Ca -0.15 -1.68 0.02 0.00 -2.93 0.00 0.00 61.98 57.24 1yhu s VAL 125 Cb 0.09 -2.84 0.19 0.00 -1.53 0.00 0.00 36.38 32.29 1yhu s VAL 125 CO 0.62 -0.31 0.75 0.12 -3.33 0.00 0.00 175.10 172.95 1yhu s PHE 126 N 1.18 -1.35 -0.64 1.54 5.36 -1.26 -4.55 117.98 118.25 1yhu s PHE 126 Ca -0.00 0.41 -0.26 0.00 -0.96 0.00 0.00 56.93 56.12 1yhu s PHE 126 Cb -0.20 0.24 -0.07 0.00 -0.34 0.00 0.00 43.02 42.65 1yhu s PHE 126 CO -0.03 -0.87 2.23 0.34 -1.46 0.00 0.00 175.22 175.43 1yhu s ASP 127 N 2.21 4.57 0.14 6.13 -1.08 -1.26 -4.78 116.67 122.59 1yhu s ASP 127 Ca 0.16 0.44 -0.07 0.00 -0.52 0.00 0.00 52.55 52.55 1yhu s ASP 127 Cb -0.04 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1yhu s ASP 127 CO -0.15 -3.01 1.37 -0.61 0.52 0.00 0.00 175.17 173.30 1yhu h GLN 128 N 15.84 0.61 0.00 4.34 4.15 -1.99 -1.79 115.11 136.27 1yhu h GLN 128 Ca -0.14 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.78 1yhu h GLN 128 Cb 1.15 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1yhu h GLN 128 CO 1.14 1.12 0.00 -0.25 -1.93 0.00 0.00 178.83 178.91 1yhu n ASP 129 N -3.89 0.00 -0.05 -0.69 8.00 -1.26 -1.50 116.55 117.17 1yhu n ASP 129 Ca -0.06 -0.42 -0.10 0.00 0.71 0.00 0.00 54.79 54.91 1yhu n ASP 129 Cb 0.73 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 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 -0.96 2.38 0.36 2.24 0.00 -1.04 -4.48 120.51 119.02 1yhu n ALA 130 Ca 0.09 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 1yhu n ALA 130 Cb 0.04 0.38 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.34 -0.86 -0.34 0.00 4.06 -1.17 -1.76 115.95 115.53 1yhu h TRP 131 Ca -0.24 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.72 1yhu h TRP 131 Cb 1.20 0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 29.61 1yhu h TRP 131 CO -0.03 -0.53 -0.20 1.17 -3.56 0.00 0.00 178.44 175.29 1yhu n LYS 132 N -5.48 -0.15 -0.14 0.49 3.00 -0.56 0.31 118.16 115.62 1yhu n LYS 132 Ca -0.13 1.12 -0.09 0.00 -0.00 0.00 0.00 58.31 59.20 1yhu n LYS 132 Cb 0.37 -1.66 -0.00 0.00 0.00 0.00 0.00 35.03 33.74 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 0.59 -0.51 1.64 0.13 -1.78 -2.64 132.00 129.44 1yhu h PRO 133 Ca 0.05 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1yhu h PRO 133 Cb 0.14 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1yhu h PRO 133 CO -0.32 0.53 0.17 0.00 -0.23 0.00 0.00 178.00 178.14 1yhu h LEU 135 N 0.73 0.93 -0.84 0.00 3.38 -0.04 -2.61 115.31 116.86 1yhu h LEU 135 Ca 0.17 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1yhu h LEU 135 Cb 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1yhu h LEU 135 CO -0.01 1.01 0.44 0.78 0.09 0.00 0.00 178.44 180.75 1yhu h ASN 136 N 0.86 1.06 -0.80 -0.43 2.35 -0.96 0.86 115.58 118.52 1yhu h ASN 136 Ca 0.15 -0.11 0.15 0.00 -0.55 0.00 0.00 56.30 55.94 1yhu h ASN 136 Cb 0.57 -0.27 -0.10 0.00 0.05 0.00 0.00 38.32 38.57 1yhu h ASN 136 CO 0.03 0.87 0.36 0.58 -1.65 0.00 0.00 177.43 177.62 1yhu h VAL 137 N 1.17 0.67 -0.05 2.81 2.07 -0.94 0.97 116.25 122.96 1yhu h VAL 137 Ca 0.29 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1yhu h VAL 137 Cb 0.06 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1yhu h VAL 137 CO -0.04 0.09 -0.05 0.40 0.02 0.00 0.00 177.57 177.99 1yhu h ILE 138 N 0.51 1.38 0.27 4.57 2.04 -1.07 -2.73 117.51 122.47 1yhu h ILE 138 Ca 0.44 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1yhu h ILE 138 Cb 0.67 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1yhu h ILE 138 CO -0.40 0.33 -0.17 0.74 0.00 0.00 0.00 178.15 178.65 1yhu h THR 139 N -0.34 0.64 -0.01 -0.27 2.02 0.12 -1.61 112.91 113.46 1yhu h THR 139 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1yhu h THR 139 Cb 0.56 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1yhu h THR 139 CO 0.01 0.00 0.12 0.78 0.37 0.00 0.00 175.52 176.80 1yhu h ASN 140 N -0.43 0.00 0.00 4.18 -0.26 0.86 0.39 115.58 120.32 1yhu h ASN 140 Ca -0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1yhu h ASN 140 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1yhu h ASN 140 CO 0.02 0.00 -0.04 1.23 -1.06 0.00 0.00 177.43 177.58 1yhu h GLY 141 N 0.00 0.02 1.87 2.83 0.00 -1.01 -3.23 103.07 103.56 1yhu h GLY 141 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1yhu h GLY 141 CO -0.00 0.04 -0.11 -2.22 0.00 0.00 0.00 176.54 174.25 1yhu h ILE 142 N -0.88 1.14 -0.90 2.60 2.04 -0.31 -2.69 117.51 118.51 1yhu h ILE 142 Ca -0.01 -0.63 0.22 0.00 1.00 0.00 0.00 64.86 65.45 1yhu h ILE 142 Cb 0.94 1.19 -0.16 0.00 -0.74 0.00 0.00 36.82 38.05 1yhu h ILE 142 CO 0.01 0.19 -0.02 -0.61 0.00 0.00 0.00 178.15 177.72 1yhu h GLN 143 N 0.16 0.04 0.00 2.37 5.75 -0.31 -3.38 115.11 119.74 1yhu h GLN 143 Ca 0.03 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1yhu h GLN 143 Cb 0.30 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1yhu h GLN 143 CO 0.02 0.03 0.00 0.41 -2.65 0.00 0.00 178.83 176.64