#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 5.62 -2.56 0.00 0.00 -1.26 -4.86 120.51 117.45 1yhu n ALA 2 Ca 0.00 -3.64 -0.27 0.00 0.00 0.00 0.00 53.44 49.53 1yhu n ALA 2 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.77 4.08 0.20 0.00 4.22 -1.26 -4.68 114.94 114.72 1yhu s ASN 3 Ca 0.57 -1.27 -0.11 0.00 -2.14 0.00 0.00 52.86 49.91 1yhu s ASN 3 Cb 0.46 -0.41 -0.00 0.00 1.28 0.00 0.00 41.25 42.57 1yhu s ASN 3 CO 0.02 -0.49 0.38 0.00 -2.04 0.00 0.00 177.10 174.97 1yhu n ALA 5 N -0.30 -2.72 -0.36 0.00 0.00 -1.26 -4.62 120.51 111.26 1yhu n ALA 5 Ca -0.05 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1yhu n ALA 5 Cb 0.63 -1.52 0.21 0.00 0.00 0.00 0.00 19.45 18.76 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 0.35 0.99 0.14 0.00 -0.00 -1.99 0.12 116.42 116.03 1yhu h ASP 6 Ca -0.38 0.02 -0.21 0.00 -0.00 0.00 0.00 57.03 56.46 1yhu h ASP 6 Cb 1.44 -0.19 0.02 0.00 -0.00 0.00 0.00 39.33 40.60 1yhu h ASP 6 CO 0.47 0.60 -0.96 0.00 -0.00 0.00 0.00 179.24 179.35 1yhu h ALA 7 N 1.49 -0.05 -0.61 -0.78 0.00 -1.99 -2.25 119.26 115.07 1yhu h ALA 7 Ca 0.45 -0.78 0.12 0.00 0.00 0.00 0.00 54.91 54.70 1yhu h ALA 7 Cb 0.27 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1yhu h ALA 7 CO -0.20 0.47 0.41 0.00 0.00 0.00 0.00 179.25 179.94 1yhu h ALA 8 N 0.06 2.16 0.16 0.00 0.00 -1.82 -1.06 119.26 118.77 1yhu h ALA 8 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1yhu h ALA 8 Cb 1.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1yhu h ALA 8 CO 0.14 -0.31 -0.08 0.00 0.00 0.00 0.00 179.25 179.00 1yhu h ALA 9 N 1.70 -0.22 -1.05 0.00 0.00 -0.78 -2.99 119.26 115.93 1yhu h ALA 9 Ca 0.29 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.26 1yhu h ALA 9 Cb 0.73 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1yhu h ALA 9 CO -0.07 -0.38 0.68 0.00 0.00 0.00 0.00 179.25 179.48 1yhu h ALA 10 N 0.00 2.33 0.46 0.00 0.00 -0.60 -0.96 119.26 120.48 1yhu h ALA 10 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1yhu h ALA 10 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yhu h ALA 10 CO 0.04 -0.72 -0.22 0.82 0.00 0.00 0.00 179.25 179.17 1yhu h ILE 11 N 0.35 0.51 -0.63 0.00 1.08 -1.21 -2.12 117.51 115.47 1yhu h ILE 11 Ca 0.58 -0.33 0.12 0.00 -0.39 0.00 0.00 64.86 64.85 1yhu h ILE 11 Cb 1.57 0.65 -0.09 0.00 -3.07 0.00 0.00 36.82 35.89 1yhu h ILE 11 CO -0.26 0.05 0.17 0.58 -0.69 0.00 0.00 178.15 178.00 1yhu h VAL 12 N -0.82 0.65 -0.10 1.67 2.07 -1.09 -1.62 116.25 117.01 1yhu h VAL 12 Ca -0.06 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1yhu h VAL 12 Cb 0.56 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1yhu h VAL 12 CO 0.10 0.06 -0.28 1.56 0.02 0.00 0.00 177.57 179.03 1yhu h GLN 13 N 0.30 -0.27 -0.60 1.57 1.08 -1.05 0.63 115.11 116.77 1yhu h GLN 13 Ca 0.34 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.67 1yhu h GLN 13 Cb 0.50 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.88 1yhu h GLN 13 CO -0.40 -0.18 -0.13 0.00 -0.95 0.00 0.00 178.83 177.17 1yhu h ALA 14 N -0.80 0.41 -0.04 3.87 0.00 -0.91 0.47 119.26 122.25 1yhu h ALA 14 Ca 0.02 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1yhu h ALA 14 Cb 0.34 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1yhu h ALA 14 CO -0.24 -0.43 0.02 1.96 0.00 0.00 0.00 179.25 180.56 1yhu h GLN 15 N 0.01 0.06 -0.03 0.00 4.20 -0.64 0.63 115.11 119.35 1yhu h GLN 15 Ca 0.29 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1yhu h GLN 15 Cb 0.44 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1yhu h GLN 15 CO -0.60 0.15 0.01 2.35 -0.67 0.00 0.00 178.83 180.08 1yhu h TRP 16 N -0.04 0.03 -0.88 2.96 2.91 0.11 -1.71 115.95 119.33 1yhu h TRP 16 Ca 0.02 -0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.23 1yhu h TRP 16 Cb 0.11 -0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 28.69 1yhu h TRP 16 CO -0.04 0.08 0.58 0.93 -1.03 0.00 0.00 178.44 178.97 1yhu h GLU 17 N -0.02 0.42 -0.63 2.65 4.39 0.06 0.11 114.58 121.56 1yhu h GLU 17 Ca 0.01 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.79 1yhu h GLU 17 Cb 0.06 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1yhu h GLU 17 CO -0.00 0.28 0.43 0.22 -1.16 0.00 0.00 179.01 178.77 1yhu h ASP 18 N 0.43 0.38 0.00 1.42 3.58 0.09 -3.14 116.42 119.18 1yhu h ASP 18 Ca 0.46 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1yhu h ASP 18 Cb 1.09 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1yhu h ASP 18 CO -0.17 0.22 -0.87 1.33 -2.88 0.00 0.00 179.24 176.86 1yhu n VAL 19 N -4.47 0.00 -3.24 2.25 0.24 -0.05 -4.88 118.33 108.18 1yhu n VAL 19 Ca 0.11 -0.24 -0.23 0.00 -2.04 0.00 0.00 64.34 61.94 1yhu n VAL 19 Cb 0.40 0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 33.33 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 -1.05 -4.20 6.34 -0.00 0.20 -4.88 117.44 112.37 1yhu n TRP 20 Ca -0.00 -3.19 -0.23 0.00 -0.00 0.00 0.00 57.50 54.08 1yhu n TRP 20 Cb 0.14 0.19 -0.06 0.00 -0.00 0.00 0.00 31.31 31.58 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 -0.44 5.06 0.48 5.87 1.04 -1.22 -4.60 113.70 119.89 1yhu s SER 21 Ca 0.33 -0.43 0.23 0.00 0.48 0.00 0.00 55.95 56.56 1yhu s SER 21 Cb 0.10 -1.14 1.23 0.00 0.10 0.00 0.00 66.02 66.30 1yhu s SER 21 CO -0.16 -0.01 1.65 0.00 0.98 0.00 0.00 173.24 175.70 1yhu h ALA 22 N 1.72 1.22 -2.02 5.32 0.00 -2.00 -2.85 119.26 120.66 1yhu h ALA 22 Ca -0.46 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.78 1yhu h ALA 22 Cb 1.24 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.66 1yhu h ALA 22 CO 0.60 -0.22 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 1yhu n ALA 23 N -1.75 4.80 -2.00 0.00 0.00 -1.26 -4.91 120.51 115.39 1yhu n ALA 23 Ca -0.02 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1yhu n ALA 23 Cb 0.30 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.43 0.00 -3.64 0.00 0.00 -1.08 -5.11 120.51 111.11 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 19.75 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 -2.64 -2.09 0.49 0.00 0.00 -1.26 -5.01 121.76 111.25 1yhu s ALA 25 Ca 0.00 2.03 0.25 0.00 0.00 0.00 0.00 51.96 54.24 1yhu s ALA 25 Cb 0.00 -1.55 1.32 0.00 0.00 0.00 0.00 23.12 22.89 1yhu s ALA 25 CO 0.00 -0.28 1.90 0.00 0.00 0.00 0.00 175.76 177.38 1yhu h ALA 26 N 5.04 2.54 -0.17 0.00 0.00 -2.00 -0.45 119.26 124.23 1yhu h ALA 26 Ca -0.28 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1yhu h ALA 26 Cb 1.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1yhu h ALA 26 CO 0.15 -0.78 -0.65 0.00 0.00 0.00 0.00 179.25 177.96 1yhu h ALA 27 N 1.61 0.54 -0.14 0.00 0.00 -2.00 -2.91 119.26 116.37 1yhu h ALA 27 Ca 0.41 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1yhu h ALA 27 Cb 1.37 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yhu h ALA 27 CO -0.07 0.71 -0.14 1.03 0.00 0.00 0.00 179.25 180.78 1yhu h SER 28 N 0.45 0.36 -0.76 0.00 0.87 -1.49 -2.30 113.55 110.68 1yhu h SER 28 Ca -0.02 -0.48 0.07 0.00 -1.23 0.00 0.00 61.79 60.13 1yhu h SER 28 Cb 1.23 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 63.03 1yhu h SER 28 CO 0.13 0.76 0.44 0.03 -0.53 0.00 0.00 176.83 177.66 1yhu h ARG 29 N -0.05 0.78 0.61 2.24 3.08 -1.50 -1.33 114.38 118.21 1yhu h ARG 29 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1yhu h ARG 29 Cb 0.66 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1yhu h ARG 29 CO 0.03 0.52 -0.29 0.28 -1.07 0.00 0.00 179.97 179.44 1yhu h VAL 30 N 0.80 0.40 -0.79 2.04 2.07 -1.47 -2.37 116.25 116.93 1yhu h VAL 30 Ca 0.34 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 1yhu h VAL 30 Cb 0.21 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1yhu h VAL 30 CO -0.19 0.00 0.45 0.28 0.02 0.00 0.00 177.57 178.13 1yhu h SER 31 N -0.82 0.64 -0.37 0.57 0.02 -1.06 0.56 113.55 113.09 1yhu h SER 31 Ca -0.08 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1yhu h SER 31 Cb 0.63 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1yhu h SER 31 CO 0.14 0.37 0.11 0.00 -1.14 0.00 0.00 176.83 176.31 1yhu h ALA 32 N 1.44 0.42 0.18 3.77 0.00 -1.12 0.53 119.26 124.48 1yhu h ALA 32 Ca 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1yhu h ALA 32 Cb 0.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yhu h ALA 32 CO -0.24 -0.29 -0.09 0.78 0.00 0.00 0.00 179.25 179.41 1yhu h GLY 33 N 0.25 -0.26 -0.25 0.00 0.00 -0.72 -0.83 103.07 101.26 1yhu h GLY 33 Ca 0.17 0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.66 1yhu h GLY 33 CO -0.19 -0.09 -0.45 -2.09 0.00 0.00 0.00 176.54 173.71 1yhu h GLU 34 N -0.43 -0.36 -0.35 4.80 4.22 0.45 -0.74 114.58 122.17 1yhu h GLU 34 Ca -0.03 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1yhu h GLU 34 Cb 0.33 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1yhu h GLU 34 CO 0.04 -0.24 0.09 0.93 -2.18 0.00 0.00 179.01 177.64 1yhu h GLU 35 N -0.38 0.21 -0.31 1.92 4.39 -0.85 0.05 114.58 119.61 1yhu h GLU 35 Ca 0.11 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.87 1yhu h GLU 35 Cb 0.60 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 1yhu h GLU 35 CO -0.54 0.14 -0.26 0.28 -1.16 0.00 0.00 179.01 177.46 1yhu h VAL 36 N 0.21 0.34 -0.08 3.13 2.07 -0.19 -0.09 116.25 121.65 1yhu h VAL 36 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1yhu h VAL 36 Cb 0.17 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1yhu h VAL 36 CO -0.20 0.00 -0.03 -0.26 0.02 0.00 0.00 177.57 177.10 1yhu h PHE 37 N -0.24 0.17 -0.88 1.57 -1.00 -0.86 0.45 116.94 116.15 1yhu h PHE 37 Ca 0.16 -0.04 0.21 0.00 2.81 0.00 0.00 57.97 61.10 1yhu h PHE 37 Cb 0.49 -0.04 -0.12 0.00 3.61 0.00 0.00 35.95 39.89 1yhu h PHE 37 CO -0.44 0.51 0.39 0.00 -1.61 0.00 0.00 178.31 177.15 1yhu h ALA 38 N 0.64 1.40 -0.18 2.45 0.00 -0.72 0.68 119.26 123.53 1yhu h ALA 38 Ca 0.02 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1yhu h ALA 38 Cb 0.46 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1yhu h ALA 38 CO 0.01 -0.31 -0.63 0.00 0.00 0.00 0.00 179.25 178.32 1yhu h ALA 39 N 1.68 0.55 0.00 0.00 0.00 -0.90 -1.40 119.26 119.20 1yhu h ALA 39 Ca 0.54 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1yhu h ALA 39 Cb 0.99 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1yhu h ALA 39 CO -0.50 0.70 -0.08 1.25 0.00 0.00 0.00 179.25 180.62 1yhu h LEU 40 N 0.47 0.00 0.04 0.00 7.12 0.24 -2.57 115.31 120.61 1yhu h LEU 40 Ca -0.01 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.73 1yhu h LEU 40 Cb 1.22 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.32 1yhu h LEU 40 CO 0.12 0.08 -1.43 -0.26 -0.13 0.00 0.00 178.44 176.82 1yhu h PHE 41 N 0.00 0.16 -0.41 1.25 0.05 0.20 -3.18 116.94 115.01 1yhu h PHE 41 Ca -0.00 -0.12 0.12 0.00 3.82 0.00 0.00 57.97 61.79 1yhu h PHE 41 Cb 0.30 -0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.23 1yhu h PHE 41 CO 0.00 1.56 0.30 -0.22 -0.18 0.00 0.00 178.31 179.77 1yhu h LYS 42 N -0.67 0.02 -0.21 1.51 3.64 -1.19 0.17 116.57 119.85 1yhu h LYS 42 Ca -0.36 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.92 1yhu h LYS 42 Cb 1.52 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1yhu h LYS 42 CO -0.11 0.02 -0.28 1.98 -2.27 0.00 0.00 179.45 178.79 1yhu h MET 43 N 0.02 0.56 -2.20 1.90 4.05 -1.59 -3.40 114.93 114.28 1yhu h MET 43 Ca 0.20 -0.32 -0.52 0.00 -0.28 0.00 0.00 59.70 58.77 1yhu h MET 43 Cb 0.75 0.02 -0.35 0.00 -0.80 0.00 0.00 31.60 31.23 1yhu h MET 43 CO -0.01 0.92 -0.88 0.08 0.23 0.00 0.00 176.91 177.25 1yhu s VAL 44 N -4.21 0.10 0.43 -5.77 1.01 -0.04 -4.97 120.40 106.95 1yhu s VAL 44 Ca -0.13 -2.21 0.39 0.00 0.00 0.00 0.00 61.98 60.03 1yhu s VAL 44 Cb 0.07 -1.04 0.39 0.00 0.00 0.00 0.00 36.38 35.80 1yhu s VAL 44 CO 0.81 -1.01 2.18 1.55 0.00 0.00 0.00 175.10 178.63 1yhu h PRO 45 N 5.84 0.00 0.00 2.72 0.13 -0.99 -0.11 132.00 139.59 1yhu h PRO 45 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1yhu h PRO 45 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1yhu h PRO 45 CO 0.30 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.07 1yhu n ALA 46 N -2.00 1.46 0.15 -0.56 0.00 -1.26 -1.68 120.51 116.62 1yhu n ALA 46 Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1yhu n ALA 46 Cb 0.07 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.29 3.01 -0.14 0.00 0.00 -0.05 -4.49 120.51 117.55 1yhu n ALA 47 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 1yhu n ALA 47 Cb 0.05 -0.81 0.02 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 -0.04 0.00 0.00 1.57 -1.50 -0.12 116.57 116.48 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 0.93 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1yhu h LYS 48 CO 0.00 -0.03 0.00 0.27 -0.57 0.00 0.00 179.45 179.12 1yhu n ASN 49 N -5.36 0.00 0.02 0.86 0.23 -1.26 -1.41 115.26 108.35 1yhu n ASN 49 Ca 0.03 -0.06 0.11 0.00 -0.53 0.00 0.00 54.58 54.13 1yhu n ASN 49 Cb 0.26 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.85 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 -0.52 0.27 -1.21 -4.53 7.94 -0.06 -4.20 117.00 114.70 1yhu n LEU 50 Ca 0.00 0.08 -0.04 0.00 -1.11 0.00 0.00 56.01 54.94 1yhu n LEU 50 Cb 0.00 -0.02 0.21 0.00 0.53 0.00 0.00 43.42 44.14 1yhu n LEU 50 CO 0.00 -0.05 0.75 0.49 -1.11 0.00 0.00 177.39 177.47 1yhu n PHE 51 N -2.35 1.23 -0.24 1.96 3.01 -0.50 -4.68 117.46 115.89 1yhu n PHE 51 Ca -0.03 -1.49 0.07 0.00 1.01 0.00 0.00 57.45 57.01 1yhu n PHE 51 Cb 0.56 -0.50 0.33 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.15 0.99 0.00 4.37 1.03 -1.73 -1.64 112.91 117.07 1yhu h THR 52 Ca 0.22 -0.28 -0.01 0.00 -0.01 0.00 0.00 66.41 66.33 1yhu h THR 52 Cb 1.73 0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1yhu h THR 52 CO 0.42 0.15 -0.04 -0.09 -0.01 0.00 0.00 175.52 175.95 1yhu h ARG 53 N 0.82 0.00 -1.37 0.00 2.43 -1.93 -2.96 114.38 111.37 1yhu h ARG 53 Ca 0.37 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.86 1yhu h ARG 53 Cb 0.36 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 29.59 1yhu h ARG 53 CO -0.14 0.04 0.45 1.33 -1.51 0.00 0.00 179.97 180.14 1yhu n VAL 54 N -4.37 3.27 -4.13 0.20 0.24 -0.64 -4.90 118.33 108.00 1yhu n VAL 54 Ca -0.03 -3.88 -0.35 0.00 -2.04 0.00 0.00 64.34 58.05 1yhu n VAL 54 Cb 0.12 -1.20 -0.01 0.00 -1.47 0.00 0.00 33.84 31.28 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 -0.70 -3.79 0.17 -1.34 4.13 -1.12 -2.53 115.26 110.08 1yhu n ASN 55 Ca 0.54 -0.94 0.12 0.00 1.68 0.00 0.00 54.58 55.98 1yhu n ASN 55 Cb 0.56 -3.07 0.61 0.00 -1.54 0.00 0.00 39.78 36.34 1yhu n ASN 55 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1yhu h VAL 56 N -1.65 0.00 -0.97 2.41 3.04 -1.66 -0.35 116.25 117.06 1yhu h VAL 56 Ca -0.59 -0.04 0.15 0.00 -1.01 0.00 0.00 66.70 65.21 1yhu h VAL 56 Cb 1.38 0.59 -0.09 0.00 -2.01 0.00 0.00 31.29 31.16 1yhu h VAL 56 CO 0.75 0.00 0.61 0.00 -1.01 0.00 0.00 177.57 177.92 1yhu h ALA 57 N 2.04 1.67 -3.09 3.17 0.00 -1.86 -3.25 119.26 117.94 1yhu h ALA 57 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.32 1yhu h ALA 57 Cb 0.06 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 17.29 1yhu h ALA 57 CO 0.00 0.05 -0.70 0.34 0.00 0.00 0.00 179.25 178.95 1yhu s ASP 58 N -5.65 3.87 0.47 0.00 3.68 -0.14 -4.99 116.67 113.91 1yhu s ASP 58 Ca -0.11 -2.88 0.30 0.00 2.13 0.00 0.00 52.55 51.99 1yhu s ASP 58 Cb 0.23 -1.25 1.37 0.00 -1.45 0.00 0.00 42.92 41.82 1yhu s ASP 58 CO 0.80 -0.23 1.74 0.40 0.13 0.00 0.00 175.17 178.01 1yhu h ILE 59 N 5.22 0.37 -0.19 4.11 2.04 -1.70 0.49 117.51 127.85 1yhu h ILE 59 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1yhu h ILE 59 Cb 0.90 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1yhu h ILE 59 CO 0.56 0.03 0.00 -0.46 0.00 0.00 0.00 178.15 178.28 1yhu n ASN 60 N -4.43 1.02 -4.81 1.72 0.23 -1.26 -3.97 115.26 103.78 1yhu n ASN 60 Ca 0.29 -2.00 -0.32 0.00 -0.53 0.00 0.00 54.58 52.02 1yhu n ASN 60 Cb 1.19 -0.13 0.02 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 -1.00 5.74 0.11 0.53 1.04 0.17 -4.83 113.70 115.46 1yhu s SER 61 Ca 0.13 1.78 -0.21 0.00 0.48 0.00 0.00 55.95 58.13 1yhu s SER 61 Cb 0.07 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 1yhu s SER 61 CO 0.09 -1.19 1.74 1.55 0.98 0.00 0.00 173.24 176.41 1yhu h PRO 62 N 0.29 0.19 -0.64 4.02 0.13 -1.90 0.72 132.00 134.81 1yhu h PRO 62 Ca -0.46 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1yhu h PRO 62 Cb 1.22 -0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1yhu h PRO 62 CO 0.57 0.15 -0.05 0.93 -0.23 0.00 0.00 178.00 179.37 1yhu h GLU 63 N 0.17 0.07 -0.05 0.86 3.07 -1.93 0.57 114.58 117.35 1yhu h GLU 63 Ca 0.05 -0.00 -0.05 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 27.90 1yhu h GLU 63 CO -0.01 0.05 -0.16 0.35 -1.40 0.00 0.00 179.01 177.83 1yhu h PHE 64 N 0.07 0.26 -0.85 4.33 3.57 -1.24 -2.15 116.94 120.92 1yhu h PHE 64 Ca 0.33 -0.11 0.17 0.00 3.53 0.00 0.00 57.97 61.89 1yhu h PHE 64 Cb 0.53 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.12 1yhu h PHE 64 CO -0.42 0.79 0.40 1.96 -2.23 0.00 0.00 178.31 178.81 1yhu h GLN 65 N -0.35 0.51 -0.56 1.11 4.20 -0.09 0.43 115.11 120.36 1yhu h GLN 65 Ca -0.01 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1yhu h GLN 65 Cb 0.80 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1yhu h GLN 65 CO 0.03 0.34 0.34 0.78 -0.67 0.00 0.00 178.83 179.65 1yhu h GLY 66 N 0.52 0.80 0.92 3.46 0.00 0.21 -1.26 103.07 107.72 1yhu h GLY 66 Ca 0.49 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1yhu h GLY 66 CO -0.43 0.22 -0.29 0.84 0.00 0.00 0.00 176.54 176.89 1yhu h HIS 67 N 0.68 -0.76 -0.65 5.60 -0.00 0.38 -2.08 115.15 118.32 1yhu h HIS 67 Ca 0.22 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.71 1yhu h HIS 67 Cb 0.01 0.26 -0.12 0.00 -0.00 0.00 0.00 27.41 27.56 1yhu h HIS 67 CO -0.06 -0.45 -0.20 0.28 -0.00 0.00 0.00 177.93 177.50 1yhu h VAL 68 N -0.75 0.30 -0.46 5.26 2.07 -0.42 0.58 116.25 122.82 1yhu h VAL 68 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1yhu h VAL 68 Cb 0.60 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1yhu h VAL 68 CO 0.08 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.44 1yhu h VAL 69 N -0.03 0.88 -0.99 2.57 2.07 -1.03 -0.88 116.25 118.83 1yhu h VAL 69 Ca 0.30 -0.13 0.17 0.00 0.82 0.00 0.00 66.70 67.87 1yhu h VAL 69 Cb 0.50 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 1yhu h VAL 69 CO -0.68 0.07 0.62 0.03 0.02 0.00 0.00 177.57 177.62 1yhu h ARG 70 N 0.37 0.76 -0.04 1.57 3.08 -0.20 0.67 114.38 120.60 1yhu h ARG 70 Ca 0.21 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1yhu h ARG 70 Cb 0.19 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1yhu h ARG 70 CO -0.20 0.50 0.01 0.28 -1.07 0.00 0.00 179.97 179.49 1yhu h VAL 71 N 0.78 1.17 -0.11 2.04 2.07 -0.47 -1.76 116.25 119.98 1yhu h VAL 71 Ca 0.54 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1yhu h VAL 71 Cb 0.83 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1yhu h VAL 71 CO -0.33 0.14 -0.13 0.24 0.02 0.00 0.00 177.57 177.51 1yhu h MET 72 N -0.15 -0.17 -0.60 1.57 2.86 -0.32 -0.31 114.93 117.82 1yhu h MET 72 Ca 0.01 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1yhu h MET 72 Cb 0.22 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 31.80 1yhu h MET 72 CO -0.00 -0.11 -0.17 0.78 1.06 0.00 0.00 176.91 178.47 1yhu h GLY 73 N -0.17 0.38 0.70 8.32 0.00 -0.83 0.10 103.07 111.56 1yhu h GLY 73 Ca 0.08 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1yhu h GLY 73 CO -0.21 -0.23 -0.32 -1.33 0.00 0.00 0.00 176.54 174.44 1yhu h GLY 74 N -0.02 -0.77 0.25 4.60 0.00 -0.36 0.16 103.07 106.92 1yhu h GLY 74 Ca 0.28 0.37 0.16 0.00 0.00 0.00 0.00 47.33 48.15 1yhu h GLY 74 CO -0.63 -0.29 0.59 -2.00 0.00 0.00 0.00 176.54 174.22 1yhu h LEU 75 N -0.71 0.79 0.94 3.11 5.85 -0.37 -0.68 115.31 124.23 1yhu h LEU 75 Ca -0.03 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1yhu h LEU 75 Cb 0.63 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1yhu h LEU 75 CO -0.03 0.33 -0.46 -0.78 -0.34 0.00 0.00 178.44 177.15 1yhu h ASP 76 N 0.81 -1.11 -1.00 1.25 -0.00 -0.11 0.97 116.42 117.23 1yhu h ASP 76 Ca 0.54 0.04 0.23 0.00 -0.00 0.00 0.00 57.03 57.84 1yhu h ASP 76 Cb 0.73 0.29 -0.19 0.00 -0.00 0.00 0.00 39.33 40.17 1yhu h ASP 76 CO -0.34 -0.78 -0.14 -0.38 -0.00 0.00 0.00 179.24 177.60 1yhu n ILE 77 N -5.47 -0.42 0.05 2.25 5.41 0.49 -0.67 119.36 121.00 1yhu n ILE 77 Ca -0.16 2.24 -0.02 0.00 1.00 0.00 0.00 62.75 65.82 1yhu n ILE 77 Cb 0.51 -3.17 -0.01 0.00 -0.71 0.00 0.00 39.64 36.25 1yhu n ILE 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1yhu h LEU 78 N 0.00 -0.11 -0.98 1.39 3.38 -0.78 -1.28 115.31 116.93 1yhu h LEU 78 Ca 0.53 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.75 1yhu h LEU 78 Cb 0.94 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.53 1yhu h LEU 78 CO -0.99 -0.06 -0.05 -0.38 0.09 0.00 0.00 178.44 177.05 1yhu n ILE 79 N -2.44 -0.41 -0.02 1.22 5.41 0.30 -0.23 119.36 123.18 1yhu n ILE 79 Ca -0.02 2.18 -0.08 0.00 1.00 0.00 0.00 62.75 65.83 1yhu n ILE 79 Cb 0.05 -3.13 0.09 0.00 -0.71 0.00 0.00 39.64 35.93 1yhu n ILE 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1yhu h ASN 80 N 0.00 0.65 -0.24 4.38 4.21 -0.93 -2.74 115.58 120.91 1yhu h ASN 80 Ca 0.56 -0.29 -0.02 0.00 1.21 0.00 0.00 56.30 57.76 1yhu h ASN 80 Cb 1.09 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.09 1yhu h ASN 80 CO -0.94 0.98 0.02 0.00 -1.29 0.00 0.00 177.43 176.20 1yhu n ALA 81 N -2.51 3.10 0.28 -0.83 0.00 0.68 -4.17 120.51 117.06 1yhu n ALA 81 Ca -0.02 -0.77 0.16 0.00 0.00 0.00 0.00 53.44 52.81 1yhu n ALA 81 Cb 0.52 -1.06 0.78 0.00 0.00 0.00 0.00 19.45 19.69 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 1.49 0.00 0.00 0.00 3.38 -1.07 -2.69 115.31 116.42 1yhu h LEU 82 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1yhu h LEU 82 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1yhu h LEU 82 CO 0.21 0.07 -0.80 -0.78 0.09 0.00 0.00 178.44 177.23 1yhu h ASP 83 N 0.00 0.00 -3.29 -0.43 3.58 -1.83 -3.39 116.42 111.06 1yhu h ASP 83 Ca -0.00 0.00 -0.79 0.00 0.42 0.00 0.00 57.03 56.65 1yhu h ASP 83 Cb 0.37 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.13 1yhu h ASP 83 CO 0.01 0.55 0.53 -0.67 -2.88 0.00 0.00 179.24 176.78 1yhu n ASP 84 N -3.13 5.75 -0.34 2.28 -0.08 -1.02 -4.94 116.55 115.08 1yhu n ASP 84 Ca -0.02 -3.19 0.14 0.00 -1.51 0.00 0.00 54.79 50.22 1yhu n ASP 84 Cb 0.78 -1.31 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 3.57 0.03 0.00 5.18 2.10 -1.76 -1.16 117.51 125.47 1yhu h ILE 85 Ca 0.19 -0.00 -0.06 0.00 1.08 0.00 0.00 64.86 66.07 1yhu h ILE 85 Cb 0.77 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 -0.27 1.55 -1.08 0.00 0.00 178.15 179.48 1yhu h PRO 86 N 0.01 0.00 0.15 2.19 0.13 -1.92 -2.79 132.00 129.78 1yhu h PRO 86 Ca 0.60 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.40 1yhu h PRO 86 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1yhu h PRO 86 CO -0.92 0.27 -1.61 1.15 -0.23 0.00 0.00 178.00 176.66 1yhu h THR 87 N 0.00 1.08 -0.09 1.56 2.02 -1.57 -3.19 112.91 112.72 1yhu h THR 87 Ca -0.00 -2.68 0.03 0.00 0.77 0.00 0.00 66.41 64.52 1yhu h THR 87 Cb 0.62 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1yhu h THR 87 CO 0.03 0.83 0.07 0.25 0.37 0.00 0.00 175.52 177.08 1yhu h LEU 88 N 0.09 0.00 0.36 2.58 5.85 -1.30 -0.44 115.31 122.45 1yhu h LEU 88 Ca -0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1yhu h LEU 88 Cb 2.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1yhu h LEU 88 CO 0.18 0.00 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.67 1yhu h GLU 89 N 0.00 -0.60 -0.90 1.25 4.39 -1.48 0.76 114.58 118.00 1yhu h GLU 89 Ca 0.04 0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.97 1yhu h GLU 89 Cb 0.19 0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 28.86 1yhu h GLU 89 CO -0.00 -0.40 0.47 0.77 -1.16 0.00 0.00 179.01 178.69 1yhu h SER 90 N -0.62 0.52 -0.11 1.42 0.02 -1.44 0.17 113.55 113.52 1yhu h SER 90 Ca -0.05 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1yhu h SER 90 Cb 0.51 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1yhu h SER 90 CO 0.01 0.15 -0.53 0.24 -1.14 0.00 0.00 176.83 175.56 1yhu h MET 91 N 0.57 -0.56 0.49 3.45 2.07 -0.59 -0.95 114.93 119.41 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 0.88 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.73 1yhu h MET 91 CO -0.43 -0.38 -0.41 -0.07 1.07 0.00 0.00 176.91 176.69 1yhu h LEU 92 N -0.59 -1.10 -0.82 1.22 3.38 0.72 -2.38 115.31 115.74 1yhu h LEU 92 Ca 0.03 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1yhu h LEU 92 Cb 0.67 0.35 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 1yhu h LEU 92 CO -0.41 -0.57 -0.34 0.47 0.09 0.00 0.00 178.44 177.68 1yhu n ASP 93 N -4.94 -0.57 0.10 -0.43 10.43 0.46 0.40 116.55 122.00 1yhu n ASP 93 Ca -0.11 1.44 -0.07 0.00 2.57 0.00 0.00 54.79 58.62 1yhu n ASP 93 Cb 0.39 -0.31 -0.04 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 -0.53 -0.95 1.24 2.76 -1.05 -0.26 115.15 116.36 1yhu h HIS 94 Ca 0.27 0.00 0.26 0.00 -2.20 0.00 0.00 60.37 58.70 1yhu h HIS 94 Cb 0.47 0.21 -0.14 0.00 1.55 0.00 0.00 27.41 29.51 1yhu h HIS 94 CO -0.74 -0.25 0.45 -0.07 -1.30 0.00 0.00 177.93 176.03 1yhu h LEU 95 N -0.37 0.39 0.32 0.26 3.38 -0.53 0.66 115.31 119.42 1yhu h LEU 95 Ca -0.02 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1yhu h LEU 95 Cb 0.32 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1yhu h LEU 95 CO -0.03 -0.05 -0.34 0.00 0.09 0.00 0.00 178.44 178.11 1yhu h ALA 96 N 1.77 -1.01 -0.68 1.53 0.00 0.39 -0.65 119.26 120.61 1yhu h ALA 96 Ca 0.63 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.55 1yhu h ALA 96 Cb 1.29 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 1yhu h ALA 96 CO -0.57 -1.03 -0.18 0.78 0.00 0.00 0.00 179.25 178.25 1yhu h GLY 97 N -0.66 0.46 1.39 0.00 0.00 0.84 0.70 103.07 105.79 1yhu h GLY 97 Ca -0.04 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.60 1yhu h GLY 97 CO -0.05 -0.26 0.24 1.46 0.00 0.00 0.00 176.54 177.93 1yhu h GLN 98 N -0.01 0.00 0.04 4.80 4.20 -0.50 -2.40 115.11 121.24 1yhu h GLN 98 Ca 0.32 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.65 1yhu h GLN 98 Cb 0.50 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 1yhu h GLN 98 CO -0.70 0.00 -2.33 0.72 -0.67 0.00 0.00 178.83 175.84 1yhu n HIS 99 N -3.93 0.38 0.02 2.96 8.25 0.15 -4.07 115.22 118.97 1yhu n HIS 99 Ca 0.03 0.08 0.20 0.00 -0.26 0.00 0.00 57.72 57.77 1yhu n HIS 99 Cb 0.38 -1.05 0.69 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 0.03 2.46 0.00 -1.41 0.00 0.44 0.42 119.26 121.20 1yhu h ALA 100 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1yhu h ALA 100 Cb 1.94 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1yhu h ALA 100 CO -0.04 -0.62 0.00 -0.24 0.00 0.00 0.00 179.25 178.36 1yhu h VAL 101 N 0.00 0.00 -2.45 0.00 3.04 -1.61 -3.41 116.25 111.81 1yhu h VAL 101 Ca 0.24 -0.91 -0.58 0.00 -1.01 0.00 0.00 66.70 64.44 1yhu h VAL 101 Cb 0.96 1.91 -0.11 0.00 -2.01 0.00 0.00 31.29 32.05 1yhu h VAL 101 CO -0.00 0.00 0.87 -0.13 -1.01 0.00 0.00 177.57 177.30 1yhu s ARG 102 N -3.28 3.17 -0.10 4.17 1.81 0.14 -4.96 118.95 119.89 1yhu s ARG 102 Ca 0.06 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.28 1yhu s ARG 102 Cb 0.06 -4.22 -0.08 0.00 -0.45 0.00 0.00 34.95 30.26 1yhu s ARG 102 CO 0.65 -2.02 2.07 -0.25 -0.68 0.00 0.00 175.30 175.06 1yhu n ASP 103 N 8.73 3.60 0.00 0.23 8.00 -1.26 -2.51 116.55 133.33 1yhu n ASP 103 Ca 0.01 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1yhu n ASP 103 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 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 1.65 3.66 0.44 0.00 -1.26 -5.09 105.19 109.71 1yhu n GLY 104 Ca 0.25 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.41 3.43 0.08 1.61 -7.23 -1.04 -4.99 120.40 111.84 1yhu s VAL 105 Ca 0.00 0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 60.69 1yhu s VAL 105 Cb 0.00 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 1yhu s VAL 105 CO 0.00 -0.05 0.26 0.28 -0.31 0.00 0.00 175.10 175.28 1yhu s THR 106 N 4.09 5.32 -1.87 5.32 -1.32 -1.26 -4.89 115.64 121.03 1yhu s THR 106 Ca 0.77 -0.22 0.05 0.00 -1.21 0.00 0.00 61.69 61.08 1yhu s THR 106 Cb -0.36 -3.62 0.13 0.00 -1.51 0.00 0.00 72.50 67.14 1yhu s THR 106 CO 0.32 0.14 0.82 0.61 -2.21 0.00 0.00 174.62 174.30 1yhu n GLY 107 N 0.33 -0.22 0.03 6.08 0.00 -1.26 0.06 105.19 110.21 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 -1.06 2.67 -0.13 4.61 0.00 -1.26 -4.19 120.51 121.15 1yhu n ALA 108 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1yhu n ALA 108 Cb 0.02 -0.20 0.22 0.00 0.00 0.00 0.00 19.45 19.50 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 1.25 0.89 0.91 0.00 0.00 -0.76 -1.73 103.07 103.63 1yhu h GLY 109 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1yhu h GLY 109 CO 0.00 0.44 -0.12 0.74 0.00 0.00 0.00 176.54 177.60 1yhu h PHE 110 N 0.81 0.70 -0.78 5.60 -1.00 -1.75 -2.18 116.94 118.35 1yhu h PHE 110 Ca 0.19 -0.17 0.18 0.00 2.81 0.00 0.00 57.97 60.98 1yhu h PHE 110 Cb 0.20 -0.17 -0.12 0.00 3.61 0.00 0.00 35.95 39.48 1yhu h PHE 110 CO 0.01 0.83 0.22 1.96 -1.61 0.00 0.00 178.31 179.72 1yhu h GLN 111 N 0.38 0.28 0.39 1.51 7.50 -1.50 0.33 115.11 123.99 1yhu h GLN 111 Ca 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.19 1yhu h GLN 111 Cb 0.63 -0.06 -0.00 0.00 0.05 0.00 0.00 27.48 28.09 1yhu h GLN 111 CO 0.04 0.19 -0.21 -0.07 -1.50 0.00 0.00 178.83 177.28 1yhu h LEU 112 N 0.29 -0.51 -0.64 1.46 3.38 -1.10 -2.28 115.31 115.91 1yhu h LEU 112 Ca 0.45 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.57 1yhu h LEU 112 Cb 0.80 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 1yhu h LEU 112 CO -0.53 -0.34 -0.26 -0.03 0.09 0.00 0.00 178.44 177.36 1yhu h MET 113 N -0.56 -0.09 -0.04 1.13 4.05 -0.44 -0.95 114.93 118.04 1yhu h MET 113 Ca -0.05 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1yhu h MET 113 Cb 0.44 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 1yhu h MET 113 CO 0.07 -0.06 -0.34 0.00 0.23 0.00 0.00 176.91 176.81 1yhu h ALA 114 N 1.30 -0.76 -1.12 0.39 0.00 -0.76 -0.30 119.26 118.02 1yhu h ALA 114 Ca 0.28 -0.05 0.34 0.00 0.00 0.00 0.00 54.91 55.48 1yhu h ALA 114 Cb 0.53 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 1yhu h ALA 114 CO -0.70 -0.87 0.70 1.15 0.00 0.00 0.00 179.25 179.53 1yhu h THR 115 N -0.40 0.32 0.43 0.00 2.02 -0.75 0.08 112.91 114.62 1yhu h THR 115 Ca 0.01 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1yhu h THR 115 Cb 0.44 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1yhu h THR 115 CO -0.24 0.05 -0.21 0.58 0.37 0.00 0.00 175.52 176.07 1yhu h VAL 116 N 0.27 0.49 -0.64 3.16 2.07 0.20 -1.10 116.25 120.70 1yhu h VAL 116 Ca 0.71 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.87 1yhu h VAL 116 Cb 1.91 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.29 1yhu h VAL 116 CO -0.44 0.07 0.23 -0.07 0.02 0.00 0.00 177.57 177.39 1yhu h LEU 117 N -0.88 0.21 -0.81 2.57 3.38 0.11 -0.90 115.31 119.00 1yhu h LEU 117 Ca -0.06 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1yhu h LEU 117 Cb 0.56 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1yhu h LEU 117 CO 0.10 0.11 0.53 0.24 0.09 0.00 0.00 178.44 179.51 1yhu h MET 118 N 0.40 1.07 0.00 1.13 2.86 -1.01 0.55 114.93 119.93 1yhu h MET 118 Ca 0.33 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1yhu h MET 118 Cb 0.45 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1yhu h MET 118 CO -0.34 0.71 0.00 1.05 1.06 0.00 0.00 176.91 179.39 1yhu h GLU 119 N 1.10 0.00 0.00 1.72 4.11 -0.26 -3.35 114.58 117.89 1yhu h GLU 119 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1yhu h GLU 119 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1yhu h GLU 119 CO -0.06 0.00 -0.23 -1.13 0.07 0.00 0.00 179.01 177.65 1yhu n SER 120 N -2.58 0.73 -0.15 3.06 3.41 -0.43 -4.68 113.62 112.98 1yhu n SER 120 Ca 0.04 -0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 58.09 1yhu n SER 120 Cb 0.43 1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 65.39 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 0.67 -1.45 1.04 5.85 -0.05 -2.52 115.31 118.85 1yhu h LEU 121 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1yhu h LEU 121 Cb 0.05 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1yhu h LEU 121 CO 0.00 0.75 0.05 1.55 -0.34 0.00 0.00 178.44 180.45 1yhu h PRO 122 N 0.57 0.00 -0.14 5.25 0.13 -1.81 0.41 132.00 136.41 1yhu h PRO 122 Ca 0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.11 1yhu h PRO 122 Cb 0.35 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.49 1yhu h PRO 122 CO 0.01 0.00 -0.52 1.96 -0.23 0.00 0.00 178.00 179.21 1yhu h GLN 123 N 0.00 0.60 0.04 0.86 1.08 -1.74 -3.36 115.11 112.59 1yhu h GLN 123 Ca 0.00 -0.46 -0.36 0.00 -1.45 0.00 0.00 58.65 56.37 1yhu h GLN 123 Cb 0.10 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 1yhu h GLN 123 CO 0.00 1.08 -2.19 1.33 -0.95 0.00 0.00 178.83 178.10 1yhu n VAL 124 N -4.18 1.58 -2.02 -0.54 0.24 0.01 -4.98 118.33 108.45 1yhu n VAL 124 Ca -0.07 -0.68 -0.34 0.00 -2.04 0.00 0.00 64.34 61.20 1yhu n VAL 124 Cb 0.61 -1.29 0.02 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.54 3.25 0.00 3.34 1.01 0.12 -4.96 120.40 120.63 1yhu s VAL 125 Ca -0.22 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1yhu s VAL 125 Cb 0.08 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1yhu s VAL 125 CO 0.73 -0.27 0.00 -0.62 0.00 0.00 0.00 175.10 174.94 1yhu n GLU 126 N -1.86 0.00 -1.26 2.72 -0.58 -1.26 -4.43 120.64 113.97 1yhu n GLU 126 Ca 0.11 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.63 1yhu n GLU 126 Cb 0.52 -0.02 -0.05 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 1.95 4.04 2.54 0.62 0.00 -1.26 -4.99 105.19 108.09 1yhu n GLY 127 Ca 0.00 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 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 1.02 0.43 -3.88 1.61 7.35 -1.26 -4.96 117.46 117.78 1yhu n PHE 128 Ca 0.43 0.77 -0.34 0.00 -0.76 0.00 0.00 57.45 57.55 1yhu n PHE 128 Cb 0.61 -1.51 -0.13 0.00 0.35 0.00 0.00 39.48 38.80 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 -0.03 4.95 0.34 -2.13 3.84 -1.26 -4.97 114.94 115.68 1yhu s ASN 129 Ca 0.65 -2.33 0.02 0.00 0.21 0.00 0.00 52.86 51.42 1yhu s ASN 129 Cb -0.91 -1.74 0.63 0.00 -0.55 0.00 0.00 41.25 38.68 1yhu s ASN 129 CO 0.41 -0.42 1.98 1.55 -2.79 0.00 0.00 177.10 177.84 1yhu h PRO 130 N 7.54 0.85 0.84 0.43 0.13 -1.98 -1.86 132.00 137.95 1yhu h PRO 130 Ca -0.08 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 1yhu h PRO 130 Cb 1.00 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 31.95 1yhu h PRO 130 CO 0.64 0.57 -0.40 -0.44 -0.23 0.00 0.00 178.00 178.13 1yhu h ASP 131 N 0.88 -0.95 -0.73 1.44 5.19 -1.98 0.49 116.42 120.75 1yhu h ASP 131 Ca 0.28 0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.84 1yhu h ASP 131 Cb 0.02 0.25 -0.09 0.00 0.18 0.00 0.00 39.33 39.68 1yhu h ASP 131 CO -0.07 -0.62 0.31 0.00 -3.12 0.00 0.00 179.24 175.74 1yhu h ALA 132 N -1.19 1.03 -0.30 3.45 0.00 -1.88 0.15 119.26 120.51 1yhu h ALA 132 Ca -0.12 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1yhu h ALA 132 Cb 0.87 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1yhu h ALA 132 CO 0.19 -0.16 0.11 -1.49 0.00 0.00 0.00 179.25 177.90 1yhu h TRP 133 N 0.49 0.46 -0.33 0.00 4.06 -1.16 -1.51 115.95 117.96 1yhu h TRP 133 Ca 0.39 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.30 1yhu h TRP 133 Cb 0.54 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 1yhu h TRP 133 CO -0.15 0.46 0.18 0.00 -3.56 0.00 0.00 178.44 175.38 1yhu h ALA 134 N 0.95 0.42 -0.83 1.49 0.00 0.95 0.44 119.26 122.68 1yhu h ALA 134 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1yhu h ALA 134 Cb 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1yhu h ALA 134 CO -0.01 -0.05 0.50 0.77 0.00 0.00 0.00 179.25 180.46 1yhu h SER 135 N 0.41 0.77 0.28 0.00 0.02 -0.55 -1.76 113.55 112.73 1yhu h SER 135 Ca 0.12 0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.75 1yhu h SER 135 Cb 0.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1yhu h SER 135 CO -0.02 0.48 -1.69 0.00 -1.14 0.00 0.00 176.83 174.46 1yhu h LEU 137 N 0.09 -0.54 -1.76 0.00 6.46 -0.03 -2.86 115.31 116.69 1yhu h LEU 137 Ca -0.31 -0.06 0.11 0.00 -0.12 0.00 0.00 57.88 57.49 1yhu h LEU 137 Cb 2.07 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 42.11 1yhu h LEU 137 CO 0.17 -0.25 0.38 0.00 -0.62 0.00 0.00 178.44 178.12 1yhu h ALA 138 N -0.40 2.16 -0.52 1.25 0.00 -1.51 0.41 119.26 120.64 1yhu h ALA 138 Ca -0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1yhu h ALA 138 Cb 0.57 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1yhu h ALA 138 CO 0.11 -0.29 0.23 0.78 0.00 0.00 0.00 179.25 180.07 1yhu h GLY 139 N 0.27 0.72 0.64 0.00 0.00 -1.58 -2.39 103.07 100.73 1yhu h GLY 139 Ca 0.26 -0.14 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 1yhu h GLY 139 CO -0.06 0.06 -1.64 0.29 0.00 0.00 0.00 176.54 175.19 1yhu n ILE 140 N -4.94 0.95 -0.01 2.60 -5.35 -0.20 -3.36 119.36 109.04 1yhu n ILE 140 Ca 0.05 -0.67 0.03 0.00 -0.27 0.00 0.00 62.75 61.89 1yhu n ILE 140 Cb 0.18 -0.52 0.38 0.00 -1.74 0.00 0.00 39.64 37.94 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 1.52 1.60 -0.08 -1.28 0.00 -0.24 -0.39 119.26 120.38 1yhu h ALA 141 Ca -0.18 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1yhu h ALA 141 Cb 1.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1yhu h ALA 141 CO 0.03 0.33 -0.60 0.00 0.00 0.00 0.00 179.25 179.01 1yhu h ALA 142 N 1.67 0.83 0.15 0.00 0.00 -1.53 -2.86 119.26 117.51 1yhu h ALA 142 Ca 0.15 -0.54 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 1yhu h ALA 142 Cb 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.78 1yhu h ALA 142 CO -0.02 0.72 -1.30 0.00 0.00 0.00 0.00 179.25 178.66 1yhu h ALA 143 N 1.16 -0.03 -0.32 0.00 0.00 -1.29 -3.32 119.26 115.46 1yhu h ALA 143 Ca -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 1yhu h ALA 143 Cb 1.11 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1yhu h ALA 143 CO 0.10 0.70 0.16 0.82 0.00 0.00 0.00 179.25 181.02 1yhu h ILE 144 N 0.25 1.15 -1.76 0.00 2.04 -1.16 -3.26 117.51 114.78 1yhu h ILE 144 Ca -0.20 -0.42 -0.74 0.00 1.00 0.00 0.00 64.86 64.49 1yhu h ILE 144 Cb 1.97 0.84 -0.16 0.00 -0.74 0.00 0.00 36.82 38.73 1yhu h ILE 144 CO 0.25 0.15 1.70 -1.54 0.00 0.00 0.00 178.15 178.71 1yhu n SER 145 N -4.77 5.14 -3.06 1.72 3.41 -1.08 -3.79 113.62 111.20 1yhu n SER 145 Ca -0.01 -3.04 -0.33 0.00 -0.26 0.00 0.00 58.87 55.23 1yhu n SER 145 Cb 0.10 -1.53 -0.00 0.00 -0.26 0.00 0.00 64.21 62.51 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 4.91 5.83 0.00 4.04 2.88 -1.23 -4.86 113.62 125.19 1yhu n SER 146 Ca 0.39 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 1yhu n SER 146 Cb 0.40 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 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 -0.28 0.00 -0.77 -1.46 0.00 -1.26 -5.04 120.51 111.70 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 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1yhu n ALA 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39