#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu n ALA 2 N 0.00 5.49 -2.53 0.00 0.00 -1.26 -4.87 120.51 117.34 1yhu n ALA 2 Ca 0.00 -3.70 -0.26 0.00 0.00 0.00 0.00 53.44 49.48 1yhu n ALA 2 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1yhu n ALA 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yhu s ASN 3 N -2.96 4.12 0.20 0.00 4.22 -1.26 -4.67 114.94 114.59 1yhu s ASN 3 Ca 0.56 -1.18 -0.10 0.00 -2.14 0.00 0.00 52.86 49.99 1yhu s ASN 3 Cb 0.44 -0.45 -0.01 0.00 1.28 0.00 0.00 41.25 42.52 1yhu s ASN 3 CO 0.01 -0.43 0.34 0.00 -2.04 0.00 0.00 177.10 174.99 1yhu n ALA 5 N -0.28 -2.40 -0.36 0.00 0.00 -1.26 -4.61 120.51 111.60 1yhu n ALA 5 Ca -0.05 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1yhu n ALA 5 Cb 0.63 -1.57 0.19 0.00 0.00 0.00 0.00 19.45 18.70 1yhu n ALA 5 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1yhu h ASP 6 N 0.25 0.97 0.13 0.00 -0.00 -1.99 0.12 116.42 115.91 1yhu h ASP 6 Ca -0.41 0.02 -0.18 0.00 -0.00 0.00 0.00 57.03 56.46 1yhu h ASP 6 Cb 1.43 -0.18 0.02 0.00 -0.00 0.00 0.00 39.33 40.60 1yhu h ASP 6 CO 0.46 0.59 -0.82 0.00 -0.00 0.00 0.00 179.24 179.46 1yhu h ALA 7 N 1.48 -0.05 -0.68 -0.78 0.00 -1.99 -2.13 119.26 115.11 1yhu h ALA 7 Ca 0.45 -0.73 0.17 0.00 0.00 0.00 0.00 54.91 54.80 1yhu h ALA 7 Cb 0.28 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1yhu h ALA 7 CO -0.21 0.40 0.47 0.00 0.00 0.00 0.00 179.25 179.92 1yhu h ALA 8 N 0.05 2.43 0.05 0.00 0.00 -1.81 -0.31 119.26 119.68 1yhu h ALA 8 Ca -0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1yhu h ALA 8 Cb 1.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1yhu h ALA 8 CO 0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 179.25 178.72 1yhu h ALA 9 N 1.67 -0.07 -0.90 0.00 0.00 -0.73 -3.04 119.26 116.20 1yhu h ALA 9 Ca 0.33 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 55.17 1yhu h ALA 9 Cb 1.09 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1yhu h ALA 9 CO -0.05 -0.24 0.60 0.00 0.00 0.00 0.00 179.25 179.56 1yhu h ALA 10 N 0.20 2.28 0.40 0.00 0.00 -0.39 -1.01 119.26 120.74 1yhu h ALA 10 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1yhu h ALA 10 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yhu h ALA 10 CO 0.01 -0.57 -0.19 0.82 0.00 0.00 0.00 179.25 179.32 1yhu h ILE 11 N 0.35 0.60 -0.60 0.00 1.08 -1.24 -2.13 117.51 115.56 1yhu h ILE 11 Ca 0.47 -0.31 0.10 0.00 -0.39 0.00 0.00 64.86 64.73 1yhu h ILE 11 Cb 1.24 0.75 -0.08 0.00 -3.07 0.00 0.00 36.82 35.66 1yhu h ILE 11 CO -0.16 0.06 0.18 0.58 -0.69 0.00 0.00 178.15 178.12 1yhu h VAL 12 N -0.72 0.71 -0.09 1.67 2.07 -1.17 -1.70 116.25 117.01 1yhu h VAL 12 Ca -0.05 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1yhu h VAL 12 Cb 0.51 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1yhu h VAL 12 CO 0.09 0.06 -0.26 1.56 0.02 0.00 0.00 177.57 179.05 1yhu h GLN 13 N 0.34 -0.24 -0.58 1.57 1.08 -1.09 0.67 115.11 116.85 1yhu h GLN 13 Ca 0.31 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.64 1yhu h GLN 13 Cb 0.43 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.80 1yhu h GLN 13 CO -0.35 -0.16 -0.24 0.00 -0.95 0.00 0.00 178.83 177.13 1yhu h ALA 14 N -0.86 0.18 -0.01 3.87 0.00 -0.95 0.42 119.26 121.91 1yhu h ALA 14 Ca 0.02 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1yhu h ALA 14 Cb 0.31 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1yhu h ALA 14 CO -0.22 -0.55 0.01 1.96 0.00 0.00 0.00 179.25 180.45 1yhu h GLN 15 N -0.09 0.02 0.01 0.00 4.20 -0.80 0.23 115.11 118.67 1yhu h GLN 15 Ca 0.26 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1yhu h GLN 15 Cb 0.51 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1yhu h GLN 15 CO -0.64 0.06 -0.00 2.35 -0.67 0.00 0.00 178.83 179.92 1yhu h TRP 16 N -0.03 -0.01 -0.89 2.96 2.91 0.12 -1.78 115.95 119.23 1yhu h TRP 16 Ca 0.00 -0.00 0.21 0.00 1.13 0.00 0.00 58.89 60.23 1yhu h TRP 16 Cb 0.05 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 28.64 1yhu h TRP 16 CO -0.06 0.03 0.60 0.93 -1.03 0.00 0.00 178.44 178.90 1yhu h GLU 17 N -0.05 0.35 -0.58 2.65 4.39 -0.03 0.59 114.58 121.90 1yhu h GLU 17 Ca -0.00 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1yhu h GLU 17 Cb 0.04 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1yhu h GLU 17 CO 0.00 0.23 0.39 0.22 -1.16 0.00 0.00 179.01 178.69 1yhu h ASP 18 N 0.36 0.44 0.00 1.42 3.58 -0.03 -3.14 116.42 119.06 1yhu h ASP 18 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 1yhu h ASP 18 Cb 1.21 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1yhu h ASP 18 CO -0.16 0.28 -0.86 1.33 -2.88 0.00 0.00 179.24 176.95 1yhu n VAL 19 N -4.48 0.00 -3.23 2.25 0.24 -0.13 -4.87 118.33 108.12 1yhu n VAL 19 Ca 0.09 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.34 61.91 1yhu n VAL 19 Cb 0.28 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 1yhu n VAL 19 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1yhu n TRP 20 N -1.48 -1.10 -4.15 6.34 -0.00 0.01 -4.87 117.44 112.20 1yhu n TRP 20 Ca 0.00 -3.16 -0.22 0.00 -0.00 0.00 0.00 57.50 54.12 1yhu n TRP 20 Cb 0.17 0.20 -0.05 0.00 -0.00 0.00 0.00 31.31 31.63 1yhu n TRP 20 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1yhu s SER 21 N -0.46 5.12 0.54 5.87 1.04 -1.22 -4.59 113.70 120.00 1yhu s SER 21 Ca 0.33 -0.44 0.27 0.00 0.48 0.00 0.00 55.95 56.60 1yhu s SER 21 Cb 0.10 -1.13 1.49 0.00 0.10 0.00 0.00 66.02 66.57 1yhu s SER 21 CO -0.16 -0.07 1.81 0.00 0.98 0.00 0.00 173.24 175.81 1yhu h ALA 22 N 1.61 1.21 -2.00 5.32 0.00 -2.00 -2.93 119.26 120.47 1yhu h ALA 22 Ca -0.46 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 1yhu h ALA 22 Cb 1.24 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.67 1yhu h ALA 22 CO 0.61 -0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1yhu n ALA 23 N -1.83 4.82 -2.00 0.00 0.00 -1.26 -4.91 120.51 115.34 1yhu n ALA 23 Ca -0.02 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.68 1yhu n ALA 23 Cb 0.27 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1yhu n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yhu n ALA 24 N 0.50 0.00 -3.64 0.00 0.00 -1.11 -5.11 120.51 111.15 1yhu n ALA 24 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 1yhu n ALA 24 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 1yhu n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yhu s ALA 25 N -2.56 -2.11 0.49 0.00 0.00 -1.26 -5.01 121.76 111.31 1yhu s ALA 25 Ca 0.00 1.99 0.24 0.00 0.00 0.00 0.00 51.96 54.19 1yhu s ALA 25 Cb 0.00 -1.57 1.31 0.00 0.00 0.00 0.00 23.12 22.86 1yhu s ALA 25 CO 0.00 -0.27 1.92 0.00 0.00 0.00 0.00 175.76 177.42 1yhu h ALA 26 N 4.83 2.49 -0.14 0.00 0.00 -2.00 -0.76 119.26 123.67 1yhu h ALA 26 Ca -0.28 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1yhu h ALA 26 Cb 1.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1yhu h ALA 26 CO 0.15 -0.70 -0.66 0.00 0.00 0.00 0.00 179.25 178.03 1yhu h ALA 27 N 1.64 0.58 -0.09 0.00 0.00 -2.00 -2.91 119.26 116.48 1yhu h ALA 27 Ca 0.37 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1yhu h ALA 27 Cb 1.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yhu h ALA 27 CO -0.06 0.72 -0.07 1.03 0.00 0.00 0.00 179.25 180.87 1yhu h SER 28 N 0.40 0.22 -0.79 0.00 0.87 -1.54 -2.30 113.55 110.40 1yhu h SER 28 Ca -0.02 -0.46 0.08 0.00 -1.23 0.00 0.00 61.79 60.17 1yhu h SER 28 Cb 1.23 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 1yhu h SER 28 CO 0.12 0.63 0.45 0.03 -0.53 0.00 0.00 176.83 177.53 1yhu h ARG 29 N -0.19 0.76 0.46 2.24 3.08 -1.53 -1.28 114.38 117.92 1yhu h ARG 29 Ca 0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1yhu h ARG 29 Cb 0.56 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1yhu h ARG 29 CO 0.02 0.50 -0.22 0.28 -1.07 0.00 0.00 179.97 179.48 1yhu h VAL 30 N 0.78 0.55 -0.66 2.04 2.07 -1.46 -2.54 116.25 117.03 1yhu h VAL 30 Ca 0.37 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.91 1yhu h VAL 30 Cb 0.31 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1yhu h VAL 30 CO -0.23 0.01 0.36 0.28 0.02 0.00 0.00 177.57 178.01 1yhu h SER 31 N -0.64 0.52 -0.33 0.57 0.02 -0.94 0.59 113.55 113.34 1yhu h SER 31 Ca -0.06 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1yhu h SER 31 Cb 0.48 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1yhu h SER 31 CO 0.10 0.33 0.00 0.00 -1.14 0.00 0.00 176.83 176.13 1yhu h ALA 32 N 1.35 0.29 0.07 3.77 0.00 -1.18 0.44 119.26 124.01 1yhu h ALA 32 Ca 0.30 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1yhu h ALA 32 Cb 0.21 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1yhu h ALA 32 CO -0.19 -0.40 -0.03 0.78 0.00 0.00 0.00 179.25 179.40 1yhu h GLY 33 N 0.09 -0.09 -0.18 0.00 0.00 -0.87 -0.46 103.07 101.56 1yhu h GLY 33 Ca 0.16 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.58 1yhu h GLY 33 CO -0.26 -0.03 -0.43 -2.09 0.00 0.00 0.00 176.54 173.72 1yhu h GLU 34 N -0.26 -0.37 -0.41 4.80 4.22 0.56 -0.97 114.58 122.14 1yhu h GLU 34 Ca -0.01 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.50 1yhu h GLU 34 Cb 0.23 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1yhu h GLU 34 CO 0.02 -0.25 0.18 0.93 -2.18 0.00 0.00 179.01 177.71 1yhu h GLU 35 N -0.39 0.36 -0.30 1.92 4.39 -0.84 0.31 114.58 120.04 1yhu h GLU 35 Ca 0.11 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1yhu h GLU 35 Cb 0.60 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.10 1yhu h GLU 35 CO -0.51 0.24 -0.17 0.28 -1.16 0.00 0.00 179.01 177.69 1yhu h VAL 36 N 0.37 0.50 -0.10 3.13 2.07 -0.14 -0.73 116.25 121.35 1yhu h VAL 36 Ca 0.18 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1yhu h VAL 36 Cb 0.12 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1yhu h VAL 36 CO -0.15 0.00 -0.11 -0.26 0.02 0.00 0.00 177.57 177.07 1yhu h PHE 37 N -0.14 0.30 -0.85 1.57 -1.00 -0.82 -0.02 116.94 115.99 1yhu h PHE 37 Ca 0.16 -0.09 0.19 0.00 2.81 0.00 0.00 57.97 61.04 1yhu h PHE 37 Cb 0.38 -0.06 -0.12 0.00 3.61 0.00 0.00 35.95 39.76 1yhu h PHE 37 CO -0.37 0.69 0.35 0.00 -1.61 0.00 0.00 178.31 177.37 1yhu h ALA 38 N 0.56 1.30 -0.30 2.45 0.00 -0.74 0.54 119.26 123.08 1yhu h ALA 38 Ca 0.01 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1yhu h ALA 38 Cb 0.64 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1yhu h ALA 38 CO 0.03 -0.30 -0.50 0.00 0.00 0.00 0.00 179.25 178.48 1yhu h ALA 39 N 1.66 0.55 0.00 0.00 0.00 -1.04 -1.20 119.26 119.23 1yhu h ALA 39 Ca 0.51 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1yhu h ALA 39 Cb 0.92 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1yhu h ALA 39 CO -0.50 0.68 -0.06 1.25 0.00 0.00 0.00 179.25 180.63 1yhu h LEU 40 N 0.66 0.00 0.03 0.00 7.12 0.16 -2.57 115.31 120.71 1yhu h LEU 40 Ca 0.03 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.77 1yhu h LEU 40 Cb 1.09 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.19 1yhu h LEU 40 CO 0.11 0.06 -1.46 0.49 -0.13 0.00 0.00 178.44 177.51 1yhu n PHE 41 N -3.43 1.06 0.03 1.25 0.99 0.15 -3.33 117.46 114.17 1yhu n PHE 41 Ca -0.02 0.39 0.19 0.00 -0.00 0.00 0.00 57.45 58.01 1yhu n PHE 41 Cb 0.19 -1.11 0.69 0.00 -1.00 0.00 0.00 39.48 38.24 1yhu n PHE 41 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1yhu h LYS 42 N -0.75 0.00 -0.22 -1.08 3.64 -1.14 0.16 116.57 117.18 1yhu h LYS 42 Ca -0.37 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.88 1yhu h LYS 42 Cb 1.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1yhu h LYS 42 CO -0.15 0.00 -0.35 1.98 -2.27 0.00 0.00 179.45 178.66 1yhu h MET 43 N 0.00 0.62 -2.14 1.90 4.05 -1.60 -3.40 114.93 114.37 1yhu h MET 43 Ca 0.22 -0.38 -0.50 0.00 -0.28 0.00 0.00 59.70 58.77 1yhu h MET 43 Cb 0.91 0.04 -0.34 0.00 -0.80 0.00 0.00 31.60 31.40 1yhu h MET 43 CO -0.00 0.99 -0.86 0.08 0.23 0.00 0.00 176.91 177.35 1yhu s VAL 44 N -4.15 0.04 0.17 -5.77 1.01 0.27 -4.97 120.40 107.01 1yhu s VAL 44 Ca -0.13 -2.13 0.32 0.00 0.00 0.00 0.00 61.98 60.05 1yhu s VAL 44 Cb 0.07 -0.99 0.33 0.00 0.00 0.00 0.00 36.38 35.80 1yhu s VAL 44 CO 0.82 -0.96 1.99 1.55 0.00 0.00 0.00 175.10 178.51 1yhu h PRO 45 N 5.83 0.00 0.00 2.72 0.13 -1.05 -0.15 132.00 139.48 1yhu h PRO 45 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1yhu h PRO 45 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1yhu h PRO 45 CO 0.29 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.06 1yhu n ALA 46 N -1.92 1.57 0.35 -0.56 0.00 -1.26 -1.83 120.51 116.86 1yhu n ALA 46 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1yhu n ALA 46 Cb 0.08 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 1yhu n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yhu n ALA 47 N -1.26 3.40 -0.10 0.00 0.00 -0.07 -4.50 120.51 117.98 1yhu n ALA 47 Ca 0.04 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 1yhu n ALA 47 Cb 0.06 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 18.71 1yhu n ALA 47 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1yhu h LYS 48 N 0.00 -0.03 -0.00 0.00 1.57 -1.54 -0.57 116.57 116.00 1yhu h LYS 48 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yhu h LYS 48 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1yhu h LYS 48 CO 0.00 -0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.13 1yhu n ASN 49 N -5.30 0.00 0.00 0.86 0.23 -1.26 -1.41 115.26 108.38 1yhu n ASN 49 Ca 0.01 -0.04 0.11 0.00 -0.53 0.00 0.00 54.58 54.14 1yhu n ASN 49 Cb 0.22 -0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.78 1yhu n ASN 49 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1yhu n LEU 50 N -0.48 0.21 -1.17 -4.53 7.94 -0.22 -4.20 117.00 114.55 1yhu n LEU 50 Ca 0.00 -0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 54.86 1yhu n LEU 50 Cb 0.00 -0.01 0.21 0.00 0.53 0.00 0.00 43.42 44.15 1yhu n LEU 50 CO 0.00 0.00 0.72 0.49 -1.11 0.00 0.00 177.39 177.50 1yhu n PHE 51 N -2.23 1.16 -0.27 1.96 3.01 -0.50 -4.69 117.46 115.90 1yhu n PHE 51 Ca -0.03 -1.50 0.05 0.00 1.01 0.00 0.00 57.45 56.99 1yhu n PHE 51 Cb 0.54 -0.49 0.28 0.00 -0.01 0.00 0.00 39.48 39.80 1yhu n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yhu h THR 52 N 1.11 1.03 -0.05 4.37 1.03 -1.73 -1.62 112.91 117.05 1yhu h THR 52 Ca 0.21 -0.32 0.02 0.00 -0.01 0.00 0.00 66.41 66.30 1yhu h THR 52 Cb 1.69 0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1yhu h THR 52 CO 0.40 0.17 0.04 -0.09 -0.01 0.00 0.00 175.52 176.03 1yhu h ARG 53 N 0.93 0.00 -1.28 0.00 2.43 -1.92 -2.91 114.38 111.63 1yhu h ARG 53 Ca 0.38 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.88 1yhu h ARG 53 Cb 0.27 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 29.49 1yhu h ARG 53 CO -0.15 0.00 0.36 1.33 -1.51 0.00 0.00 179.97 180.01 1yhu n VAL 54 N -4.32 3.23 -4.11 0.20 0.24 -0.63 -4.90 118.33 108.03 1yhu n VAL 54 Ca -0.02 -3.82 -0.34 0.00 -2.04 0.00 0.00 64.34 58.12 1yhu n VAL 54 Cb 0.14 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.31 1yhu n VAL 54 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1yhu n ASN 55 N -0.72 -3.91 0.15 -1.34 4.13 -1.10 -2.65 115.26 109.84 1yhu n ASN 55 Ca 0.53 -0.93 0.11 0.00 1.68 0.00 0.00 54.58 55.98 1yhu n ASN 55 Cb 0.61 -3.17 0.55 0.00 -1.54 0.00 0.00 39.78 36.23 1yhu n ASN 55 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1yhu n VAL 56 N -4.50 1.01 -0.26 2.41 3.14 -1.05 -1.05 118.33 118.03 1yhu n VAL 56 Ca 0.07 0.62 0.11 0.00 -2.96 0.00 0.00 64.34 62.17 1yhu n VAL 56 Cb 0.50 -1.60 0.37 0.00 -1.06 0.00 0.00 33.84 32.05 1yhu n VAL 56 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yhu h ALA 57 N 2.06 1.80 -3.04 1.55 0.00 -1.86 -3.26 119.26 116.51 1yhu h ALA 57 Ca 0.00 0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.30 1yhu h ALA 57 Cb 0.08 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.33 1yhu h ALA 57 CO 0.00 -0.02 -0.71 0.34 0.00 0.00 0.00 179.25 178.86 1yhu s ASP 58 N -5.84 3.78 0.48 0.00 3.68 -0.22 -4.99 116.67 113.55 1yhu s ASP 58 Ca -0.10 -2.86 0.30 0.00 2.13 0.00 0.00 52.55 52.02 1yhu s ASP 58 Cb 0.22 -1.19 1.39 0.00 -1.45 0.00 0.00 42.92 41.89 1yhu s ASP 58 CO 0.79 -0.23 1.74 0.40 0.13 0.00 0.00 175.17 178.00 1yhu h ILE 59 N 5.17 0.36 -0.20 4.11 2.04 -1.70 0.48 117.51 127.77 1yhu h ILE 59 Ca 0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1yhu h ILE 59 Cb 0.90 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1yhu h ILE 59 CO 0.54 0.03 0.00 -0.46 0.00 0.00 0.00 178.15 178.26 1yhu n ASN 60 N -4.41 1.11 -4.80 1.72 0.23 -1.26 -3.96 115.26 103.89 1yhu n ASN 60 Ca 0.29 -2.00 -0.33 0.00 -0.53 0.00 0.00 54.58 52.01 1yhu n ASN 60 Cb 1.21 -0.14 0.01 0.00 -2.08 0.00 0.00 39.78 38.78 1yhu n ASN 60 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1yhu s SER 61 N -0.99 5.85 0.11 0.53 1.04 0.17 -4.84 113.70 115.57 1yhu s SER 61 Ca 0.14 1.81 -0.21 0.00 0.48 0.00 0.00 55.95 58.16 1yhu s SER 61 Cb 0.07 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.55 1yhu s SER 61 CO 0.09 -1.12 1.76 1.55 0.98 0.00 0.00 173.24 176.50 1yhu h PRO 62 N 0.51 0.12 -0.71 4.02 0.13 -1.90 0.51 132.00 134.69 1yhu h PRO 62 Ca -0.47 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 1yhu h PRO 62 Cb 1.22 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1yhu h PRO 62 CO 0.58 0.08 -0.01 0.93 -0.23 0.00 0.00 178.00 179.35 1yhu h GLU 63 N 0.13 0.10 -0.02 0.86 3.07 -1.93 0.48 114.58 117.27 1yhu h GLU 63 Ca 0.04 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1yhu h GLU 63 Cb -0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1yhu h GLU 63 CO -0.02 0.06 -0.14 0.35 -1.40 0.00 0.00 179.01 177.87 1yhu h PHE 64 N 0.10 0.18 -0.89 4.33 3.57 -1.26 -2.25 116.94 120.71 1yhu h PHE 64 Ca 0.38 -0.08 0.18 0.00 3.53 0.00 0.00 57.97 61.98 1yhu h PHE 64 Cb 0.64 -0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.24 1yhu h PHE 64 CO -0.42 0.80 0.45 1.96 -2.23 0.00 0.00 178.31 178.87 1yhu h GLN 65 N -0.49 0.53 -0.71 1.11 4.20 -0.28 0.53 115.11 120.00 1yhu h GLN 65 Ca -0.01 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1yhu h GLN 65 Cb 0.82 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1yhu h GLN 65 CO 0.03 0.35 0.47 0.78 -0.67 0.00 0.00 178.83 179.79 1yhu h GLY 66 N 0.55 1.00 0.94 3.46 0.00 0.01 -1.54 103.07 107.50 1yhu h GLY 66 Ca 0.52 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1yhu h GLY 66 CO -0.43 0.36 -0.17 0.84 0.00 0.00 0.00 176.54 177.13 1yhu h HIS 67 N 0.96 -0.44 -0.54 5.60 -0.00 0.52 -2.10 115.15 119.15 1yhu h HIS 67 Ca 0.26 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.73 1yhu h HIS 67 Cb -0.10 0.15 -0.11 0.00 -0.00 0.00 0.00 27.41 27.35 1yhu h HIS 67 CO -0.03 -0.24 -0.22 0.28 -0.00 0.00 0.00 177.93 177.73 1yhu h VAL 68 N -0.54 0.32 -0.56 5.26 2.07 -0.47 0.16 116.25 122.49 1yhu h VAL 68 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1yhu h VAL 68 Cb 0.41 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1yhu h VAL 68 CO 0.08 0.00 0.26 0.58 0.02 0.00 0.00 177.57 178.51 1yhu h VAL 69 N -0.10 0.88 -0.98 2.57 2.07 -1.13 -0.68 116.25 118.89 1yhu h VAL 69 Ca 0.25 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.76 1yhu h VAL 69 Cb 0.48 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 1yhu h VAL 69 CO -0.60 0.09 0.61 0.03 0.02 0.00 0.00 177.57 177.72 1yhu h ARG 70 N 0.48 0.81 0.06 1.57 3.08 -0.28 0.23 114.38 120.33 1yhu h ARG 70 Ca 0.26 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1yhu h ARG 70 Cb 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1yhu h ARG 70 CO -0.22 0.53 -0.03 0.28 -1.07 0.00 0.00 179.97 179.47 1yhu h VAL 71 N 0.83 1.08 -0.10 2.04 2.07 -0.38 -1.89 116.25 119.90 1yhu h VAL 71 Ca 0.51 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1yhu h VAL 71 Cb 0.71 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1yhu h VAL 71 CO -0.29 0.12 -0.22 0.24 0.02 0.00 0.00 177.57 177.44 1yhu h MET 72 N -0.29 -0.29 -0.69 1.57 2.86 -0.53 -0.17 114.93 117.39 1yhu h MET 72 Ca -0.01 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 1yhu h MET 72 Cb 0.26 0.06 -0.13 0.00 0.06 0.00 0.00 31.60 31.85 1yhu h MET 72 CO 0.01 -0.19 -0.12 0.78 1.06 0.00 0.00 176.91 178.46 1yhu h GLY 73 N -0.30 0.59 0.80 8.32 0.00 -0.91 0.18 103.07 111.75 1yhu h GLY 73 Ca 0.09 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1yhu h GLY 73 CO -0.27 -0.26 -0.30 -1.33 0.00 0.00 0.00 176.54 174.38 1yhu h GLY 74 N 0.03 -0.76 0.32 4.60 0.00 -0.41 0.14 103.07 106.99 1yhu h GLY 74 Ca 0.35 0.34 0.15 0.00 0.00 0.00 0.00 47.33 48.16 1yhu h GLY 74 CO -0.68 -0.28 0.59 -2.00 0.00 0.00 0.00 176.54 174.17 1yhu h LEU 75 N -0.71 0.81 0.90 3.11 5.85 -0.10 -0.12 115.31 125.06 1yhu h LEU 75 Ca -0.04 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1yhu h LEU 75 Cb 0.60 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1yhu h LEU 75 CO 0.01 0.38 -0.46 -0.78 -0.34 0.00 0.00 178.44 177.25 1yhu h ASP 76 N 0.86 -1.11 -0.97 1.25 -0.00 -0.11 0.63 116.42 116.97 1yhu h ASP 76 Ca 0.51 0.04 0.20 0.00 -0.00 0.00 0.00 57.03 57.79 1yhu h ASP 76 Cb 0.64 0.30 -0.18 0.00 -0.00 0.00 0.00 39.33 40.08 1yhu h ASP 76 CO -0.32 -0.76 -0.21 0.40 -0.00 0.00 0.00 179.24 178.35 1yhu h ILE 77 N -1.25 0.03 0.20 2.25 2.04 0.30 0.78 117.51 121.86 1yhu h ILE 77 Ca -0.12 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1yhu h ILE 77 Cb 0.97 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1yhu h ILE 77 CO 0.19 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.17 1yhu h LEU 78 N 0.00 -0.22 -0.97 1.44 3.38 -0.73 -1.34 115.31 116.87 1yhu h LEU 78 Ca 0.48 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.68 1yhu h LEU 78 Cb 0.77 0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.39 1yhu h LEU 78 CO -0.99 -0.14 -0.13 0.40 0.09 0.00 0.00 178.44 177.67 1yhu h ILE 79 N -0.31 0.04 -0.32 1.22 2.04 -0.37 0.15 117.51 119.96 1yhu h ILE 79 Ca -0.03 -0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1yhu h ILE 79 Cb 0.20 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1yhu h ILE 79 CO 0.04 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.69 1yhu h ASN 80 N 0.01 0.68 -0.23 1.72 4.21 -0.89 -2.72 115.58 118.36 1yhu h ASN 80 Ca 0.52 -0.26 -0.00 0.00 1.21 0.00 0.00 56.30 57.76 1yhu h ASN 80 Cb 0.91 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1yhu h ASN 80 CO -0.96 0.93 0.00 0.00 -1.29 0.00 0.00 177.43 176.12 1yhu n ALA 81 N -2.50 3.05 0.28 -0.83 0.00 0.45 -4.16 120.51 116.79 1yhu n ALA 81 Ca -0.01 -0.75 0.15 0.00 0.00 0.00 0.00 53.44 52.84 1yhu n ALA 81 Cb 0.46 -1.05 0.78 0.00 0.00 0.00 0.00 19.45 19.64 1yhu n ALA 81 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yhu h LEU 82 N 1.53 0.00 0.00 0.00 3.38 -1.03 -2.69 115.31 116.50 1yhu h LEU 82 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1yhu h LEU 82 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1yhu h LEU 82 CO 0.20 0.09 -0.73 -0.78 0.09 0.00 0.00 178.44 177.30 1yhu h ASP 83 N 0.00 0.00 -3.25 -0.43 3.58 -1.83 -3.39 116.42 111.10 1yhu h ASP 83 Ca -0.00 0.00 -0.79 0.00 0.42 0.00 0.00 57.03 56.66 1yhu h ASP 83 Cb 0.33 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.09 1yhu h ASP 83 CO 0.01 0.51 0.50 -0.67 -2.88 0.00 0.00 179.24 176.71 1yhu n ASP 84 N -3.13 5.70 -0.33 2.28 -0.08 -1.01 -4.94 116.55 115.04 1yhu n ASP 84 Ca -0.01 -3.20 0.15 0.00 -1.51 0.00 0.00 54.79 50.22 1yhu n ASP 84 Cb 0.76 -1.29 0.29 0.00 2.34 0.00 0.00 41.12 43.22 1yhu n ASP 84 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1yhu h ILE 85 N 3.58 0.05 0.00 5.18 2.10 -1.75 -1.06 117.51 125.60 1yhu h ILE 85 Ca 0.19 -0.01 -0.06 0.00 1.08 0.00 0.00 64.86 66.06 1yhu h ILE 85 Cb 0.76 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.51 1yhu h ILE 85 CO 1.12 0.00 -0.29 1.55 -1.08 0.00 0.00 178.15 179.45 1yhu h PRO 86 N 0.02 0.00 0.19 2.19 0.13 -1.92 -2.76 132.00 129.85 1yhu h PRO 86 Ca 0.60 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.39 1yhu h PRO 86 Cb 1.23 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.38 1yhu h PRO 86 CO -0.89 0.29 -1.58 1.15 -0.23 0.00 0.00 178.00 176.73 1yhu h THR 87 N 0.00 1.14 -0.15 1.56 2.02 -1.56 -3.16 112.91 112.76 1yhu h THR 87 Ca -0.00 -2.67 0.04 0.00 0.77 0.00 0.00 66.41 64.55 1yhu h THR 87 Cb 0.61 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1yhu h THR 87 CO 0.04 0.84 0.13 0.25 0.37 0.00 0.00 175.52 177.15 1yhu h LEU 88 N 0.11 0.00 0.43 2.58 5.85 -1.28 -0.26 115.31 122.75 1yhu h LEU 88 Ca -0.28 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1yhu h LEU 88 Cb 2.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.13 1yhu h LEU 88 CO 0.21 0.00 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.68 1yhu h GLU 89 N 0.00 -0.68 -0.91 1.25 4.39 -1.46 0.12 114.58 117.30 1yhu h GLU 89 Ca 0.07 0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.00 1yhu h GLU 89 Cb 0.34 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 29.03 1yhu h GLU 89 CO -0.00 -0.45 0.47 0.77 -1.16 0.00 0.00 179.01 178.64 1yhu h SER 90 N -0.70 0.53 -0.14 1.42 0.02 -1.35 0.16 113.55 113.49 1yhu h SER 90 Ca -0.06 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1yhu h SER 90 Cb 0.58 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.09 1yhu h SER 90 CO 0.03 0.16 -0.54 0.24 -1.14 0.00 0.00 176.83 175.58 1yhu h MET 91 N 0.58 -0.56 0.54 3.45 2.07 -0.49 -0.66 114.93 119.87 1yhu h MET 91 Ca 0.53 0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 58.18 1yhu h MET 91 Cb 0.87 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.71 1yhu h MET 91 CO -0.42 -0.37 -0.42 -0.07 1.07 0.00 0.00 176.91 176.69 1yhu h LEU 92 N -0.58 -1.12 -0.82 1.22 3.38 0.10 -2.29 115.31 115.19 1yhu h LEU 92 Ca 0.04 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.21 1yhu h LEU 92 Cb 0.68 0.35 -0.13 0.00 0.09 0.00 0.00 40.66 41.65 1yhu h LEU 92 CO -0.44 -0.60 -0.31 0.47 0.09 0.00 0.00 178.44 177.64 1yhu n ASP 93 N -5.04 -0.52 0.11 -0.43 10.43 0.39 0.35 116.55 121.84 1yhu n ASP 93 Ca -0.11 1.43 -0.06 0.00 2.57 0.00 0.00 54.79 58.62 1yhu n ASP 93 Cb 0.41 -0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.00 1yhu n ASP 93 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 1yhu h HIS 94 N 0.00 -0.48 -0.93 1.24 2.76 -0.97 -0.51 115.15 116.26 1yhu h HIS 94 Ca 0.29 0.00 0.26 0.00 -2.20 0.00 0.00 60.37 58.72 1yhu h HIS 94 Cb 0.50 0.18 -0.14 0.00 1.55 0.00 0.00 27.41 29.50 1yhu h HIS 94 CO -0.72 -0.23 0.41 -0.07 -1.30 0.00 0.00 177.93 176.02 1yhu h LEU 95 N -0.35 0.31 0.33 0.26 3.38 -0.42 0.51 115.31 119.33 1yhu h LEU 95 Ca -0.02 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1yhu h LEU 95 Cb 0.30 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1yhu h LEU 95 CO -0.01 -0.08 -0.43 0.00 0.09 0.00 0.00 178.44 178.01 1yhu h ALA 96 N 1.77 -1.04 -0.60 1.53 0.00 0.31 -0.62 119.26 120.61 1yhu h ALA 96 Ca 0.61 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.50 1yhu h ALA 96 Cb 1.26 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 19.64 1yhu h ALA 96 CO -0.59 -1.09 -0.17 0.78 0.00 0.00 0.00 179.25 178.18 1yhu h GLY 97 N -0.78 0.38 1.27 0.00 0.00 0.67 0.91 103.07 105.51 1yhu h GLY 97 Ca -0.04 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.60 1yhu h GLY 97 CO -0.10 -0.23 0.28 1.46 0.00 0.00 0.00 176.54 177.95 1yhu h GLN 98 N -0.02 0.00 0.03 4.80 4.20 -0.47 -2.15 115.11 121.49 1yhu h GLN 98 Ca 0.29 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.62 1yhu h GLN 98 Cb 0.46 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 1yhu h GLN 98 CO -0.63 0.00 -2.34 0.72 -0.67 0.00 0.00 178.83 175.91 1yhu n HIS 99 N -3.96 0.34 -0.06 2.96 8.25 0.97 -4.06 115.22 119.66 1yhu n HIS 99 Ca 0.04 0.08 0.19 0.00 -0.26 0.00 0.00 57.72 57.77 1yhu n HIS 99 Cb 0.44 -1.05 0.63 0.00 1.12 0.00 0.00 29.99 31.13 1yhu n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yhu h ALA 100 N 0.09 2.38 0.00 -1.41 0.00 0.10 0.68 119.26 121.10 1yhu h ALA 100 Ca -0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1yhu h ALA 100 Cb 1.95 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1yhu h ALA 100 CO -0.03 -0.55 -0.00 -0.24 0.00 0.00 0.00 179.25 178.43 1yhu h VAL 101 N 0.14 0.00 -2.50 0.00 3.04 -1.57 -3.41 116.25 111.95 1yhu h VAL 101 Ca 0.29 -0.89 -0.57 0.00 -1.01 0.00 0.00 66.70 64.52 1yhu h VAL 101 Cb 0.97 1.89 -0.10 0.00 -2.01 0.00 0.00 31.29 32.03 1yhu h VAL 101 CO -0.04 0.00 0.88 -0.13 -1.01 0.00 0.00 177.57 177.27 1yhu s ARG 102 N -3.31 3.18 -0.09 4.17 1.81 0.23 -4.96 118.95 119.98 1yhu s ARG 102 Ca 0.06 -0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 53.36 1yhu s ARG 102 Cb 0.06 -4.19 -0.08 0.00 -0.45 0.00 0.00 34.95 30.30 1yhu s ARG 102 CO 0.64 -2.01 2.08 -0.25 -0.68 0.00 0.00 175.30 175.08 1yhu n ASP 103 N 8.77 3.71 0.00 0.23 8.00 -1.26 -2.55 116.55 133.45 1yhu n ASP 103 Ca 0.01 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1yhu n ASP 103 Cb 0.48 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1yhu n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yhu n GLY 104 N 5.11 1.99 3.66 0.44 0.00 -1.26 -5.08 105.19 110.04 1yhu n GLY 104 Ca 0.25 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1yhu n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yhu s VAL 105 N -0.34 3.30 0.09 1.61 -7.23 -1.06 -4.99 120.40 111.78 1yhu s VAL 105 Ca 0.00 0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.58 1yhu s VAL 105 Cb 0.00 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.63 1yhu s VAL 105 CO 0.00 -0.03 0.25 0.28 -0.31 0.00 0.00 175.10 175.29 1yhu s THR 106 N 4.02 5.34 -1.82 5.32 -1.32 -1.26 -4.90 115.64 121.02 1yhu s THR 106 Ca 0.79 -0.33 0.06 0.00 -1.21 0.00 0.00 61.69 61.00 1yhu s THR 106 Cb -0.38 -3.64 0.15 0.00 -1.51 0.00 0.00 72.50 67.12 1yhu s THR 106 CO 0.34 0.10 0.88 0.61 -2.21 0.00 0.00 174.62 174.34 1yhu n GLY 107 N 0.17 -0.27 0.04 6.08 0.00 -1.26 -0.31 105.19 109.64 1yhu n GLY 107 Ca -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1yhu n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhu n ALA 108 N -1.09 2.77 -0.17 4.61 0.00 -1.26 -4.19 120.51 121.18 1yhu n ALA 108 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 1yhu n ALA 108 Cb 0.03 -0.23 0.14 0.00 0.00 0.00 0.00 19.45 19.39 1yhu n ALA 108 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yhu h GLY 109 N 1.47 1.00 0.90 0.00 0.00 -1.05 -1.92 103.07 103.47 1yhu h GLY 109 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1yhu h GLY 109 CO 0.00 0.56 0.00 0.74 0.00 0.00 0.00 176.54 177.85 1yhu h PHE 110 N 0.89 0.63 -0.79 5.60 -1.00 -1.75 -2.21 116.94 118.32 1yhu h PHE 110 Ca 0.19 -0.11 0.18 0.00 2.81 0.00 0.00 57.97 61.05 1yhu h PHE 110 Cb 0.33 -0.16 -0.12 0.00 3.61 0.00 0.00 35.95 39.61 1yhu h PHE 110 CO 0.02 0.69 0.19 1.96 -1.61 0.00 0.00 178.31 179.57 1yhu h GLN 111 N 0.38 0.24 0.13 1.51 7.50 -1.54 0.14 115.11 123.48 1yhu h GLN 111 Ca 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.22 1yhu h GLN 111 Cb 0.44 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.92 1yhu h GLN 111 CO 0.02 0.16 -0.06 -0.07 -1.50 0.00 0.00 178.83 177.37 1yhu h LEU 112 N 0.25 -0.15 -0.52 1.46 3.38 -1.06 -2.19 115.31 116.50 1yhu h LEU 112 Ca 0.46 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.53 1yhu h LEU 112 Cb 0.84 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1yhu h LEU 112 CO -0.56 -0.10 -0.20 -0.03 0.09 0.00 0.00 178.44 177.64 1yhu h MET 113 N -0.18 -0.07 0.04 1.13 4.05 -0.21 -1.23 114.93 118.45 1yhu h MET 113 Ca -0.02 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1yhu h MET 113 Cb 0.14 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1yhu h MET 113 CO 0.03 -0.05 -0.35 0.00 0.23 0.00 0.00 176.91 176.77 1yhu h ALA 114 N 1.33 -0.83 -1.10 0.39 0.00 -0.72 -0.70 119.26 117.63 1yhu h ALA 114 Ca 0.24 -0.07 0.35 0.00 0.00 0.00 0.00 54.91 55.44 1yhu h ALA 114 Cb 0.45 0.77 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 1yhu h ALA 114 CO -0.57 -0.92 0.67 1.15 0.00 0.00 0.00 179.25 179.58 1yhu h THR 115 N -0.47 0.27 0.37 0.00 2.02 -0.73 0.15 112.91 114.52 1yhu h THR 115 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1yhu h THR 115 Cb 0.49 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1yhu h THR 115 CO -0.21 0.05 -0.18 0.58 0.37 0.00 0.00 175.52 176.13 1yhu h VAL 116 N 0.25 0.58 -0.73 3.16 2.07 -0.02 -0.25 116.25 121.31 1yhu h VAL 116 Ca 0.74 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.86 1yhu h VAL 116 Cb 1.94 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.45 1yhu h VAL 116 CO -0.51 0.09 0.35 -0.07 0.02 0.00 0.00 177.57 177.46 1yhu h LEU 117 N -0.82 0.44 -0.59 2.57 3.38 0.15 -0.87 115.31 119.56 1yhu h LEU 117 Ca -0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1yhu h LEU 117 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1yhu h LEU 117 CO 0.08 0.23 0.32 0.24 0.09 0.00 0.00 178.44 179.41 1yhu h MET 118 N 0.58 0.83 0.00 1.13 2.86 -0.96 0.48 114.93 119.84 1yhu h MET 118 Ca 0.37 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1yhu h MET 118 Cb 0.44 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1yhu h MET 118 CO -0.30 0.64 0.00 1.05 1.06 0.00 0.00 176.91 179.36 1yhu h GLU 119 N 0.81 0.00 0.00 1.72 4.11 -0.14 -3.35 114.58 117.73 1yhu h GLU 119 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1yhu h GLU 119 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1yhu h GLU 119 CO -0.03 0.00 -0.20 -1.13 0.07 0.00 0.00 179.01 177.72 1yhu n SER 120 N -2.43 0.85 -0.16 3.06 3.41 -0.42 -4.69 113.62 113.24 1yhu n SER 120 Ca 0.04 -0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 58.13 1yhu n SER 120 Cb 0.38 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1yhu n SER 120 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1yhu h LEU 121 N 0.00 0.68 -1.64 1.04 5.85 -0.19 -2.44 115.31 118.61 1yhu h LEU 121 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1yhu h LEU 121 Cb 0.02 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1yhu h LEU 121 CO 0.00 0.71 0.04 1.55 -0.34 0.00 0.00 178.44 180.40 1yhu h PRO 122 N 0.61 0.00 -0.20 5.25 0.13 -1.81 0.37 132.00 136.35 1yhu h PRO 122 Ca 0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.10 1yhu h PRO 122 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1yhu h PRO 122 CO -0.00 0.00 -0.57 1.96 -0.23 0.00 0.00 178.00 179.15 1yhu h GLN 123 N 0.00 0.74 0.02 0.86 1.08 -1.73 -3.36 115.11 112.73 1yhu h GLN 123 Ca 0.00 -0.53 -0.37 0.00 -1.45 0.00 0.00 58.65 56.30 1yhu h GLN 123 Cb 0.08 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 1yhu h GLN 123 CO 0.00 1.15 -2.29 1.33 -0.95 0.00 0.00 178.83 178.07 1yhu n VAL 124 N -4.08 1.53 -1.95 -0.54 0.24 -0.00 -4.98 118.33 108.55 1yhu n VAL 124 Ca -0.06 -0.69 -0.34 0.00 -2.04 0.00 0.00 64.34 61.22 1yhu n VAL 124 Cb 0.64 -1.19 0.03 0.00 -1.47 0.00 0.00 33.84 31.85 1yhu n VAL 124 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yhu s VAL 125 N -2.53 3.29 0.00 3.34 1.01 0.11 -4.95 120.40 120.67 1yhu s VAL 125 Ca -0.23 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1yhu s VAL 125 Cb 0.08 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1yhu s VAL 125 CO 0.71 -0.31 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 1yhu n GLU 126 N -2.03 0.00 -1.19 2.72 -0.58 -1.26 -4.44 120.64 113.86 1yhu n GLU 126 Ca 0.10 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.63 1yhu n GLU 126 Cb 0.52 -0.06 -0.02 0.00 -0.57 0.00 0.00 31.44 31.31 1yhu n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yhu n GLY 127 N 2.05 4.12 2.22 0.62 0.00 -1.26 -4.99 105.19 107.96 1yhu n GLY 127 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 1yhu n GLY 127 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yhu n PHE 128 N 0.77 0.28 -3.97 1.61 7.35 -1.26 -4.95 117.46 117.29 1yhu n PHE 128 Ca 0.40 0.67 -0.31 0.00 -0.76 0.00 0.00 57.45 57.44 1yhu n PHE 128 Cb 0.59 -1.32 -0.14 0.00 0.35 0.00 0.00 39.48 38.96 1yhu n PHE 128 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1yhu s ASN 129 N -0.11 4.72 0.34 -2.13 3.84 -1.26 -4.98 114.94 115.36 1yhu s ASN 129 Ca 0.55 -2.37 0.03 0.00 0.21 0.00 0.00 52.86 51.28 1yhu s ASN 129 Cb -0.77 -1.66 0.63 0.00 -0.55 0.00 0.00 41.25 38.90 1yhu s ASN 129 CO 0.36 -0.36 1.96 1.55 -2.79 0.00 0.00 177.10 177.83 1yhu h PRO 130 N 7.37 0.86 0.88 0.43 0.13 -1.98 -1.90 132.00 137.79 1yhu h PRO 130 Ca -0.06 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1yhu h PRO 130 Cb 0.99 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 31.94 1yhu h PRO 130 CO 0.58 0.57 -0.42 -0.44 -0.23 0.00 0.00 178.00 178.06 1yhu h ASP 131 N 0.88 -1.00 -0.82 1.44 5.19 -1.98 0.54 116.42 120.67 1yhu h ASP 131 Ca 0.31 0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.89 1yhu h ASP 131 Cb 0.11 0.26 -0.09 0.00 0.18 0.00 0.00 39.33 39.79 1yhu h ASP 131 CO -0.09 -0.65 0.40 0.00 -3.12 0.00 0.00 179.24 175.78 1yhu h ALA 132 N -1.31 1.20 -0.29 3.45 0.00 -1.88 0.16 119.26 120.60 1yhu h ALA 132 Ca -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1yhu h ALA 132 Cb 0.90 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1yhu h ALA 132 CO 0.20 -0.11 0.07 -1.49 0.00 0.00 0.00 179.25 177.92 1yhu h TRP 133 N 0.59 0.48 -0.36 0.00 4.06 -1.17 -1.51 115.95 118.05 1yhu h TRP 133 Ca 0.44 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.33 1yhu h TRP 133 Cb 0.61 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 1yhu h TRP 133 CO -0.11 0.52 0.19 0.00 -3.56 0.00 0.00 178.44 175.49 1yhu h ALA 134 N 0.90 0.46 -0.77 1.49 0.00 0.11 0.45 119.26 121.91 1yhu h ALA 134 Ca 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1yhu h ALA 134 Cb 0.28 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1yhu h ALA 134 CO 0.00 -0.01 0.44 0.77 0.00 0.00 0.00 179.25 180.46 1yhu h SER 135 N 0.45 0.66 0.39 0.00 0.02 -0.56 -2.11 113.55 112.41 1yhu h SER 135 Ca 0.12 0.03 -0.32 0.00 -0.84 0.00 0.00 61.79 60.79 1yhu h SER 135 Cb 0.07 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1yhu h SER 135 CO -0.02 0.41 -1.62 0.00 -1.14 0.00 0.00 176.83 174.46 1yhu h LEU 137 N 0.07 -0.46 -1.92 0.00 6.46 -0.01 -2.93 115.31 116.50 1yhu h LEU 137 Ca -0.28 -0.11 0.11 0.00 -0.12 0.00 0.00 57.88 57.48 1yhu h LEU 137 Cb 2.02 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 42.05 1yhu h LEU 137 CO 0.15 -0.11 0.31 0.00 -0.62 0.00 0.00 178.44 178.16 1yhu h ALA 138 N -0.44 2.30 -0.55 1.25 0.00 -1.57 0.37 119.26 120.63 1yhu h ALA 138 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1yhu h ALA 138 Cb 0.55 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1yhu h ALA 138 CO 0.09 -0.42 0.28 0.78 0.00 0.00 0.00 179.25 179.98 1yhu h GLY 139 N 0.09 0.78 0.46 0.00 0.00 -1.59 -2.34 103.07 100.47 1yhu h GLY 139 Ca 0.21 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 1yhu h GLY 139 CO -0.02 0.11 -1.79 0.29 0.00 0.00 0.00 176.54 175.13 1yhu n ILE 140 N -4.87 0.86 -0.01 2.60 -5.35 0.05 -3.45 119.36 109.19 1yhu n ILE 140 Ca 0.06 -0.67 0.03 0.00 -0.27 0.00 0.00 62.75 61.90 1yhu n ILE 140 Cb 0.15 -0.43 0.39 0.00 -1.74 0.00 0.00 39.64 38.01 1yhu n ILE 140 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yhu h ALA 141 N 1.53 1.63 -0.09 -1.28 0.00 -0.36 -0.34 119.26 120.34 1yhu h ALA 141 Ca -0.20 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1yhu h ALA 141 Cb 1.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1yhu h ALA 141 CO 0.03 0.32 -0.57 0.00 0.00 0.00 0.00 179.25 179.03 1yhu h ALA 142 N 1.68 0.87 0.14 0.00 0.00 -1.53 -2.83 119.26 117.60 1yhu h ALA 142 Ca 0.15 -0.52 -0.29 0.00 0.00 0.00 0.00 54.91 54.25 1yhu h ALA 142 Cb 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.75 1yhu h ALA 142 CO -0.02 0.70 -1.22 0.00 0.00 0.00 0.00 179.25 178.71 1yhu h ALA 143 N 1.20 -0.04 -0.46 0.00 0.00 -1.28 -3.32 119.26 115.36 1yhu h ALA 143 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 1yhu h ALA 143 Cb 1.06 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1yhu h ALA 143 CO 0.09 0.64 0.24 0.82 0.00 0.00 0.00 179.25 181.04 1yhu h ILE 144 N 0.19 1.17 -1.79 0.00 2.04 -1.15 -3.24 117.51 114.72 1yhu h ILE 144 Ca -0.19 -0.45 -0.75 0.00 1.00 0.00 0.00 64.86 64.46 1yhu h ILE 144 Cb 1.91 0.63 -0.17 0.00 -0.74 0.00 0.00 36.82 38.45 1yhu h ILE 144 CO 0.23 0.18 1.69 -1.54 0.00 0.00 0.00 178.15 178.71 1yhu n SER 145 N -4.67 5.22 -3.19 1.72 3.41 -1.07 -3.78 113.62 111.27 1yhu n SER 145 Ca 0.01 -3.08 -0.34 0.00 -0.26 0.00 0.00 58.87 55.20 1yhu n SER 145 Cb 0.09 -1.50 -0.00 0.00 -0.26 0.00 0.00 64.21 62.54 1yhu n SER 145 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1yhu n SER 146 N 4.29 5.99 0.00 4.04 2.88 -1.23 -4.88 113.62 124.72 1yhu n SER 146 Ca 0.38 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 1yhu n SER 146 Cb 0.38 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1yhu n SER 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yhu n ALA 147 N -0.22 0.00 -0.77 -1.46 0.00 -1.26 -5.04 120.51 111.76 1yhu n ALA 147 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1yhu n ALA 147 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1yhu n ALA 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39