#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yad s GLU 2 N 0.00 3.80 -0.20 0.03 2.02 -0.69 -4.90 118.70 118.76 1yad s GLU 2 Ca 0.00 0.75 0.01 0.00 0.02 0.00 0.00 54.97 55.75 1yad s GLU 2 Cb 0.00 -2.19 0.04 0.00 0.10 0.00 0.00 34.13 32.08 1yad s GLU 2 CO 0.00 -0.30 -0.11 -1.17 0.02 0.00 0.00 175.26 173.70 1yad s LEU 3 N -4.35 2.28 -0.18 1.80 2.96 -1.26 -1.10 118.68 118.82 1yad s LEU 3 Ca 0.56 -0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1yad s LEU 3 Cb -0.10 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1yad s LEU 3 CO 0.38 -0.13 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.27 1yad s HIS 4 N 1.38 3.03 -0.09 5.38 3.76 0.32 -0.71 115.29 128.37 1yad s HIS 4 Ca -0.01 -0.41 -0.13 0.00 -0.15 0.00 0.00 55.06 54.37 1yad s HIS 4 Cb -0.16 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 1yad s HIS 4 CO -0.09 -0.17 0.32 0.00 -0.85 0.00 0.00 174.74 173.96 1yad s ALA 5 N 0.76 3.69 -0.18 -1.40 0.00 0.40 -0.38 121.76 124.65 1yad s ALA 5 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1yad s ALA 5 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1yad s ALA 5 CO 0.02 0.35 -0.15 0.42 0.00 0.00 0.00 175.76 176.40 1yad s ILE 6 N -0.45 2.53 0.70 0.00 -1.09 -0.04 -0.44 121.20 122.41 1yad s ILE 6 Ca 0.20 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 1yad s ILE 6 Cb -0.14 -2.08 0.02 0.00 -1.58 0.00 0.00 42.46 38.67 1yad s ILE 6 CO 0.08 0.51 1.24 0.42 -1.23 0.00 0.00 174.94 175.96 1yad s THR 7 N 1.12 2.20 -2.42 2.92 -4.23 -0.70 -4.29 115.64 110.24 1yad s THR 7 Ca 0.00 0.11 0.22 0.00 -1.18 0.00 0.00 61.69 60.85 1yad s THR 7 Cb -0.14 -2.82 0.44 0.00 1.34 0.00 0.00 72.50 71.31 1yad s THR 7 CO -0.05 -0.04 1.43 -0.90 -0.54 0.00 0.00 174.62 174.52 1yad n ASP 8 N -2.40 3.10 -4.01 3.99 5.75 -1.26 -4.53 116.55 117.19 1yad n ASP 8 Ca 0.14 -1.94 -0.27 0.00 -0.01 0.00 0.00 54.79 52.71 1yad n ASP 8 Cb 0.49 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.33 1yad n ASP 8 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1yad n ASP 9 N 1.26 -0.84 0.00 -1.12 2.03 -1.26 -4.80 116.55 111.82 1yad n ASP 9 Ca 0.19 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1yad n ASP 9 Cb 0.55 -2.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 1yad n ASP 9 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1yad n SER 10 N -2.93 0.00 -4.69 1.67 7.64 -1.26 -4.87 113.62 109.18 1yad n SER 10 Ca -0.24 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.41 1yad n SER 10 Cb 0.65 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.79 1yad n SER 10 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1yad s LYS 11 N 0.00 2.45 0.68 1.43 1.02 -1.26 -5.11 119.74 118.95 1yad s LYS 11 Ca 0.00 -1.30 -0.15 0.00 0.02 0.00 0.00 55.97 54.54 1yad s LYS 11 Cb 0.00 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1yad s LYS 11 CO 0.00 0.38 1.15 -2.14 -0.92 0.00 0.00 175.35 173.82 1yad s PRO 12 N -3.63 2.60 0.35 -1.68 0.02 -1.26 -4.79 135.00 126.61 1yad s PRO 12 Ca 0.31 1.55 0.04 0.00 0.02 0.00 0.00 61.00 62.91 1yad s PRO 12 Cb -0.07 -1.91 0.67 0.00 0.02 0.00 0.00 34.50 33.21 1yad s PRO 12 CO 0.21 -1.43 1.98 -0.39 -0.33 0.00 0.00 177.00 177.04 1yad h VAL 13 N 0.01 1.09 -0.43 3.83 -1.51 -1.99 -2.04 116.25 115.21 1yad h VAL 13 Ca -0.47 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 1yad h VAL 13 Cb 1.27 0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.60 1yad h VAL 13 CO 0.53 0.15 0.25 -0.33 -1.23 0.00 0.00 177.57 176.94 1yad h GLU 14 N 0.83 0.59 0.11 5.19 3.07 -1.97 0.10 114.58 122.49 1yad h GLU 14 Ca 0.28 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1yad h GLU 14 Cb 0.08 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1yad h GLU 14 CO -0.08 0.46 -0.05 1.49 -1.40 0.00 0.00 179.01 179.43 1yad h GLU 15 N 0.57 -0.14 -0.94 2.33 4.81 -1.87 -2.84 114.58 116.50 1yad h GLU 15 Ca 0.15 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1yad h GLU 15 Cb 0.03 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1yad h GLU 15 CO -0.03 0.17 0.59 1.25 -0.73 0.00 0.00 179.01 180.27 1yad h LEU 16 N -0.46 0.92 -0.95 1.64 5.85 -1.29 -2.03 115.31 118.99 1yad h LEU 16 Ca -0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1yad h LEU 16 Cb 0.38 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1yad h LEU 16 CO 0.02 0.57 0.58 0.00 -0.34 0.00 0.00 178.44 179.27 1yad h ALA 17 N 1.45 1.21 -0.22 1.25 0.00 -0.93 -1.37 119.26 120.65 1yad h ALA 17 Ca 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1yad h ALA 17 Cb 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1yad h ALA 17 CO -0.19 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.77 1yad h ARG 18 N 1.31 0.36 -0.61 0.00 3.08 -1.13 -2.10 114.38 115.29 1yad h ARG 18 Ca 0.34 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.32 1yad h ARG 18 Cb -0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1yad h ARG 18 CO -0.07 0.48 0.39 0.82 -1.07 0.00 0.00 179.97 180.53 1yad h ILE 19 N 0.17 1.13 -0.35 2.04 2.04 -1.22 -1.16 117.51 120.17 1yad h ILE 19 Ca 0.07 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1yad h ILE 19 Cb 0.29 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1yad h ILE 19 CO 0.00 0.15 0.16 0.40 0.00 0.00 0.00 178.15 178.86 1yad h ILE 20 N 0.79 0.96 -0.40 -0.67 2.04 -1.12 -1.97 117.51 117.15 1yad h ILE 20 Ca 0.23 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1yad h ILE 20 Cb -0.06 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1yad h ILE 20 CO -0.06 0.06 0.24 0.40 0.00 0.00 0.00 178.15 178.78 1yad h ILE 21 N 0.34 1.05 -0.48 -0.67 1.08 -0.97 -2.50 117.51 115.35 1yad h ILE 21 Ca 0.15 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1yad h ILE 21 Cb 0.08 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 1yad h ILE 21 CO -0.12 0.09 0.24 0.74 -0.69 0.00 0.00 178.15 178.41 1yad h THR 22 N 0.48 1.16 -0.01 -0.27 2.02 -0.81 -3.10 112.91 112.38 1yad h THR 22 Ca 0.16 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1yad h THR 22 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1yad h THR 22 CO -0.07 0.18 -0.52 2.30 0.37 0.00 0.00 175.52 177.78 1yad n ILE 23 N -4.39 0.00 -0.32 3.11 -5.35 -0.78 -4.64 119.36 106.99 1yad n ILE 23 Ca 0.04 -0.17 0.18 0.00 -0.27 0.00 0.00 62.75 62.53 1yad n ILE 23 Cb 0.12 0.95 0.38 0.00 -1.74 0.00 0.00 39.64 39.34 1yad n ILE 23 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1yad h GLN 24 N 1.57 0.31 -0.00 6.28 3.07 -1.37 0.21 115.11 125.18 1yad h GLN 24 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1yad h GLN 24 Cb 0.64 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.13 1yad h GLN 24 CO 0.00 0.21 -0.04 0.09 0.09 0.00 0.00 178.83 179.18 1yad n ASN 25 N -5.10 0.16 0.01 0.06 3.02 -1.26 -3.39 115.26 108.75 1yad n ASN 25 Ca 0.26 -0.36 0.11 0.00 -0.03 0.00 0.00 54.58 54.56 1yad n ASN 25 Cb 0.81 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 1yad n ASN 25 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1yad n GLU 26 N -1.15 0.13 -4.40 3.52 4.07 0.73 -4.96 120.64 118.58 1yad n GLU 26 Ca 0.15 -0.02 -0.20 0.00 -0.06 0.00 0.00 57.16 57.03 1yad n GLU 26 Cb 0.24 -1.53 -0.10 0.00 -0.06 0.00 0.00 31.44 29.99 1yad n GLU 26 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1yad s VAL 27 N -3.10 1.40 -0.08 6.31 -7.23 -1.16 -4.72 120.40 111.82 1yad s VAL 27 Ca 0.06 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1yad s VAL 27 Cb 0.16 -2.47 -0.24 0.00 0.56 0.00 0.00 36.38 34.39 1yad s VAL 27 CO 0.83 -0.27 0.51 0.47 -0.31 0.00 0.00 175.10 176.33 1yad n ASP 28 N -0.55 1.43 -3.89 4.85 8.00 0.11 -4.92 116.55 121.58 1yad n ASP 28 Ca -0.05 0.31 -0.10 0.00 0.71 0.00 0.00 54.79 55.65 1yad n ASP 28 Cb 0.64 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 1yad n ASP 28 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1yad s PHE 29 N -2.58 0.10 -0.15 1.24 0.08 -1.08 -4.69 117.98 110.90 1yad s PHE 29 Ca -0.13 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 1yad s PHE 29 Cb 0.07 -0.08 0.04 0.00 -0.57 0.00 0.00 43.02 42.49 1yad s PHE 29 CO 0.80 -0.34 -0.04 0.42 -0.10 0.00 0.00 175.22 175.96 1yad s ILE 30 N -2.03 0.93 -0.21 0.64 1.01 0.47 -0.45 121.20 121.56 1yad s ILE 30 Ca -0.10 -0.48 -0.18 0.00 0.00 0.00 0.00 60.65 59.89 1yad s ILE 30 Cb -0.04 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1yad s ILE 30 CO -0.02 0.14 0.52 -1.00 0.00 0.00 0.00 174.94 174.58 1yad s HIS 31 N 1.72 3.35 -0.54 3.97 3.76 0.42 -0.98 115.29 126.99 1yad s HIS 31 Ca 0.02 0.76 -0.25 0.00 -0.15 0.00 0.00 55.06 55.43 1yad s HIS 31 Cb -0.15 -2.69 0.04 0.00 1.11 0.00 0.00 32.58 30.89 1yad s HIS 31 CO -0.07 -0.14 1.00 0.42 -0.85 0.00 0.00 174.74 175.10 1yad s ILE 32 N 1.77 4.31 -0.52 0.60 -1.09 0.12 -1.72 121.20 124.68 1yad s ILE 32 Ca 0.24 0.53 0.07 0.00 -2.23 0.00 0.00 60.65 59.26 1yad s ILE 32 Cb -0.15 -4.57 0.35 0.00 -1.58 0.00 0.00 42.46 36.51 1yad s ILE 32 CO 0.09 -1.12 0.90 -1.14 -1.23 0.00 0.00 174.94 172.45 1yad n ARG 33 N 7.65 2.65 -2.43 2.79 0.63 -1.26 -1.72 116.66 124.97 1yad n ARG 33 Ca 0.04 -4.45 -0.41 0.00 -0.92 0.00 0.00 57.85 52.11 1yad n ARG 33 Cb 0.48 -2.09 0.01 0.00 0.45 0.00 0.00 32.46 31.31 1yad n ARG 33 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1yad n GLU 34 N -0.12 4.75 -0.18 -0.14 -0.58 -1.26 -4.04 120.64 119.06 1yad n GLU 34 Ca 0.29 -4.07 0.29 0.00 -0.42 0.00 0.00 57.16 53.25 1yad n GLU 34 Cb 0.48 -2.60 0.73 0.00 -0.57 0.00 0.00 31.44 29.48 1yad n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yad h ARG 35 N 4.76 0.00 -0.02 3.49 3.08 -1.93 -0.11 114.38 123.66 1yad h ARG 35 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1yad h ARG 35 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1yad h ARG 35 CO 1.37 0.00 -0.05 0.43 -1.07 0.00 0.00 179.97 180.65 1yad n SER 36 N -4.16 1.82 -4.92 7.04 7.64 -1.26 -4.92 113.62 114.86 1yad n SER 36 Ca 0.19 -1.55 -0.30 0.00 1.01 0.00 0.00 58.87 58.23 1yad n SER 36 Cb 1.00 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 64.20 1yad n SER 36 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1yad s LYS 37 N -2.08 3.49 0.72 1.43 1.02 -0.05 -5.10 119.74 119.17 1yad s LYS 37 Ca 0.33 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 1yad s LYS 37 Cb 0.20 -2.95 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1yad s LYS 37 CO 0.36 0.53 1.07 -1.54 -0.92 0.00 0.00 175.35 174.85 1yad s SER 38 N -2.73 5.23 0.30 2.83 1.04 -1.26 -4.86 113.70 114.25 1yad s SER 38 Ca 0.37 1.39 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 1yad s SER 38 Cb -0.12 -2.23 0.48 0.00 0.10 0.00 0.00 66.02 64.24 1yad s SER 38 CO 0.28 -1.51 1.96 0.00 0.98 0.00 0.00 173.24 174.95 1yad h ALA 39 N -0.77 1.44 -0.51 5.32 0.00 -1.98 -1.08 119.26 121.67 1yad h ALA 39 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1yad h ALA 39 Cb 1.23 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1yad h ALA 39 CO 0.60 0.50 0.32 0.00 0.00 0.00 0.00 179.25 180.67 1yad h ALA 40 N 1.50 0.65 -0.35 0.00 0.00 -1.99 0.89 119.26 119.96 1yad h ALA 40 Ca 0.31 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1yad h ALA 40 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1yad h ALA 40 CO -0.08 0.12 -0.31 -0.44 0.00 0.00 0.00 179.25 178.55 1yad h ASP 41 N 0.69 0.79 -0.27 0.00 3.32 -1.78 -2.03 116.42 117.14 1yad h ASP 41 Ca 0.19 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1yad h ASP 41 Cb -0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1yad h ASP 41 CO -0.04 1.04 -0.23 0.40 -1.72 0.00 0.00 179.24 178.69 1yad h ILE 42 N 0.64 1.27 -0.19 0.35 2.04 -0.90 -0.41 117.51 120.31 1yad h ILE 42 Ca 0.07 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1yad h ILE 42 Cb 0.83 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1yad h ILE 42 CO 0.07 0.44 -0.14 -0.07 0.00 0.00 0.00 178.15 178.46 1yad h LEU 43 N 0.65 0.29 0.05 1.44 3.38 -0.67 0.15 115.31 120.59 1yad h LEU 43 Ca 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yad h LEU 43 Cb 0.74 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1yad h LEU 43 CO 0.06 0.46 -0.02 0.50 0.09 0.00 0.00 178.44 179.52 1yad h LYS 44 N 0.28 -0.06 -0.21 1.13 3.64 -0.76 -0.99 116.57 119.60 1yad h LYS 44 Ca 0.06 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1yad h LYS 44 Cb 0.43 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1yad h LYS 44 CO 0.03 0.23 -0.26 1.25 -2.27 0.00 0.00 179.45 178.43 1yad h LEU 45 N -0.35 -0.83 -0.78 5.20 5.85 -0.52 -0.08 115.31 123.80 1yad h LEU 45 Ca -0.01 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1yad h LEU 45 Cb 0.32 0.38 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1yad h LEU 45 CO 0.01 -0.30 0.47 -0.07 -0.34 0.00 0.00 178.44 178.21 1yad h LEU 46 N -0.29 0.72 -0.74 2.25 3.38 -0.92 -0.61 115.31 119.10 1yad h LEU 46 Ca 0.12 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1yad h LEU 46 Cb 0.48 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1yad h LEU 46 CO -0.37 0.46 0.46 -0.78 0.09 0.00 0.00 178.44 178.30 1yad h ASP 47 N 0.85 0.76 -0.26 -0.43 -0.00 -0.28 0.13 116.42 117.19 1yad h ASP 47 Ca 0.35 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.37 1yad h ASP 47 Cb 0.19 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 1yad h ASP 47 CO -0.18 0.53 0.12 -0.07 -0.00 0.00 0.00 179.24 179.64 1yad h LEU 48 N 0.91 0.34 -0.73 2.28 3.38 0.39 -1.17 115.31 120.71 1yad h LEU 48 Ca 0.30 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1yad h LEU 48 Cb 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1yad h LEU 48 CO -0.11 0.38 -0.62 0.16 0.09 0.00 0.00 178.44 178.34 1yad h ILE 49 N 0.28 1.43 -0.51 1.22 3.07 -0.84 -0.33 117.51 121.84 1yad h ILE 49 Ca 0.09 -2.15 -0.10 0.00 1.55 0.00 0.00 64.86 64.25 1yad h ILE 49 Cb 0.13 2.17 -0.02 0.00 -0.27 0.00 0.00 36.82 38.83 1yad h ILE 49 CO -0.01 0.61 -0.06 -0.26 -1.05 0.00 0.00 178.15 177.38 1yad h PHE 50 N 0.00 1.03 0.00 0.16 0.04 -0.59 -1.66 116.94 115.91 1yad h PHE 50 Ca -0.01 -0.20 -0.07 0.00 2.80 0.00 0.00 57.97 60.49 1yad h PHE 50 Cb 1.12 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1yad h PHE 50 CO 0.00 0.97 -0.35 0.93 -0.60 0.00 0.00 178.31 179.26 1yad h GLU 51 N 0.80 0.00 0.00 1.51 5.08 -1.04 -2.37 114.58 118.55 1yad h GLU 51 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1yad h GLU 51 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1yad h GLU 51 CO 0.04 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 1yad n GLY 52 N -0.41 -1.27 0.31 -3.84 0.00 -0.15 -4.91 105.19 94.92 1yad n GLY 52 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1yad n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yad n GLY 53 N 0.97 0.69 3.43 -0.02 0.00 -0.89 -5.04 105.19 104.33 1yad n GLY 53 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1yad n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yad n ILE 54 N -2.04 1.82 -2.99 -0.61 0.13 -0.69 -4.90 119.36 110.07 1yad n ILE 54 Ca 0.00 -0.48 -0.44 0.00 -1.10 0.00 0.00 62.75 60.74 1yad n ILE 54 Cb 0.00 -0.59 -0.05 0.00 -0.84 0.00 0.00 39.64 38.16 1yad n ILE 54 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1yad s ASP 55 N -1.22 6.21 0.47 9.51 -1.08 -1.26 -4.89 116.67 124.41 1yad s ASP 55 Ca 0.66 -1.02 0.31 0.00 -0.52 0.00 0.00 52.55 51.98 1yad s ASP 55 Cb -0.42 -2.36 1.41 0.00 -1.46 0.00 0.00 42.92 40.09 1yad s ASP 55 CO 0.57 -1.21 1.72 0.11 0.52 0.00 0.00 175.17 176.89 1yad h LYS 56 N 9.30 0.14 0.00 4.34 1.57 -1.97 -0.56 116.57 129.40 1yad h LYS 56 Ca -0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1yad h LYS 56 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1yad h LYS 56 CO 1.10 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 180.07 1yad h ARG 57 N 0.14 0.00 -0.00 3.15 3.08 -1.94 -1.74 114.38 117.08 1yad h ARG 57 Ca 0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.74 1yad h ARG 57 Cb 2.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.36 1yad h ARG 57 CO -0.21 0.00 -0.52 1.63 -1.07 0.00 0.00 179.97 179.80 1yad n LYS 58 N -2.96 0.09 -2.90 0.04 5.02 -0.22 -4.92 118.16 112.32 1yad n LYS 58 Ca -0.02 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.82 1yad n LYS 58 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1yad n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1yad s LEU 59 N -2.95 4.58 -0.09 -0.35 1.43 -0.65 -0.39 118.68 120.26 1yad s LEU 59 Ca 0.12 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.94 1yad s LEU 59 Cb 0.18 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 43.02 1yad s LEU 59 CO 0.70 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 176.65 1yad s VAL 60 N -0.92 1.03 -0.23 -1.59 1.01 -0.15 -4.33 120.40 115.21 1yad s VAL 60 Ca 0.38 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1yad s VAL 60 Cb -0.24 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1yad s VAL 60 CO 0.28 0.35 0.44 -0.32 0.00 0.00 0.00 175.10 175.85 1yad s MET 61 N 1.29 4.11 -0.14 2.72 1.75 -0.09 0.16 119.30 129.11 1yad s MET 61 Ca -0.03 0.23 -0.21 0.00 -1.25 0.00 0.00 55.69 54.43 1yad s MET 61 Cb -0.14 -3.60 -0.03 0.00 2.84 0.00 0.00 34.83 33.90 1yad s MET 61 CO -0.03 -0.20 0.61 1.21 -0.65 0.00 0.00 175.02 175.95 1yad s ASN 62 N 1.34 6.77 0.00 1.11 3.84 -0.70 -0.95 114.94 126.35 1yad s ASN 62 Ca 0.19 0.93 0.00 0.00 0.21 0.00 0.00 52.86 54.20 1yad s ASN 62 Cb -0.15 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1yad s ASN 62 CO 0.09 -0.15 0.00 0.61 -2.79 0.00 0.00 177.10 174.86 1yad n GLY 63 N 3.44 0.95 3.56 1.21 0.00 0.43 -4.81 105.19 109.98 1yad n GLY 63 Ca -0.03 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1yad n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yad s ARG 64 N 0.00 3.86 0.30 1.61 1.81 -1.26 -4.79 118.95 120.48 1yad s ARG 64 Ca 0.00 -1.74 0.03 0.00 -1.72 0.00 0.00 55.73 52.30 1yad s ARG 64 Cb 0.00 -5.44 0.49 0.00 -0.45 0.00 0.00 34.95 29.54 1yad s ARG 64 CO 0.00 -2.21 1.80 0.28 -0.68 0.00 0.00 175.30 174.49 1yad h VAL 65 N 5.93 1.23 -0.17 3.52 2.07 -1.89 -2.37 116.25 124.57 1yad h VAL 65 Ca 0.36 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1yad h VAL 65 Cb 0.92 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1yad h VAL 65 CO 1.43 0.33 0.06 -2.24 0.02 0.00 0.00 177.57 177.17 1yad h ASP 66 N 0.51 0.24 -0.89 0.57 3.04 -2.00 -1.63 116.42 116.27 1yad h ASP 66 Ca 0.10 -0.19 0.05 0.00 -3.24 0.00 0.00 57.03 53.74 1yad h ASP 66 Cb 0.48 -0.06 -0.06 0.00 -1.04 0.00 0.00 39.33 38.64 1yad h ASP 66 CO 0.03 0.37 0.56 0.40 -2.04 0.00 0.00 179.24 178.56 1yad h ILE 67 N 0.10 1.09 -0.22 4.15 2.04 -1.93 -1.62 117.51 121.12 1yad h ILE 67 Ca 0.05 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1yad h ILE 67 Cb 0.21 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1yad h ILE 67 CO -0.00 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.44 1yad h ALA 68 N 1.39 0.26 -0.78 1.87 0.00 -1.12 -1.51 119.26 119.37 1yad h ALA 68 Ca 0.37 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1yad h ALA 68 Cb 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1yad h ALA 68 CO -0.15 -0.31 0.51 -0.07 0.00 0.00 0.00 179.25 179.23 1yad h LEU 69 N 0.22 0.86 -0.73 0.00 3.38 -0.73 -0.99 115.31 117.31 1yad h LEU 69 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yad h LEU 69 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1yad h LEU 69 CO -0.07 0.61 0.00 0.49 0.09 0.00 0.00 178.44 179.56 1yad n PHE 70 N -4.57 0.09 0.01 1.13 3.72 -0.66 -3.64 117.46 113.54 1yad n PHE 70 Ca 0.08 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1yad n PHE 70 Cb 0.05 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1yad n PHE 70 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1yad n SER 71 N -0.08 1.56 -1.85 4.37 7.64 -0.59 -5.00 113.62 119.67 1yad n SER 71 Ca 0.17 -1.51 -0.14 0.00 1.01 0.00 0.00 58.87 58.40 1yad n SER 71 Cb 0.26 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.46 1yad n SER 71 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1yad n THR 72 N -0.18 -1.04 -3.68 0.44 -1.04 -0.94 -4.99 114.28 102.84 1yad n THR 72 Ca 0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.64 1yad n THR 72 Cb 0.14 -2.43 -0.12 0.00 -1.82 0.00 0.00 70.33 66.10 1yad n THR 72 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1yad s ILE 73 N -2.84 4.51 -1.46 12.58 1.01 -0.42 -4.97 121.20 129.61 1yad s ILE 73 Ca 0.11 -0.39 0.12 0.00 0.00 0.00 0.00 60.65 60.50 1yad s ILE 73 Cb -0.05 -3.27 0.45 0.00 0.01 0.00 0.00 42.46 39.60 1yad s ILE 73 CO 0.14 0.12 1.32 1.41 0.00 0.00 0.00 174.94 177.93 1yad n HIS 74 N 4.96 0.87 -4.56 3.97 8.25 -1.26 -4.37 115.22 123.08 1yad n HIS 74 Ca -0.14 -0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 56.70 1yad n HIS 74 Cb 0.49 -0.13 -0.17 0.00 1.12 0.00 0.00 29.99 31.31 1yad n HIS 74 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yad s ARG 75 N -1.65 1.77 0.04 -0.41 0.52 -1.26 -0.76 118.95 117.21 1yad s ARG 75 Ca 0.32 -0.43 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 1yad s ARG 75 Cb 0.20 -1.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 1yad s ARG 75 CO 0.17 0.01 -0.14 0.14 0.02 0.00 0.00 175.30 175.50 1yad s VAL 76 N 0.74 1.10 -0.22 3.52 -7.23 -0.62 -0.91 120.40 116.78 1yad s VAL 76 Ca -0.13 -1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1yad s VAL 76 Cb -0.16 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.78 1yad s VAL 76 CO 0.03 -0.02 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.14 1yad s GLN 77 N -1.20 3.19 -0.35 4.82 2.00 -0.13 -1.11 119.66 126.87 1yad s GLN 77 Ca 0.01 -0.74 -0.14 0.00 -2.00 0.00 0.00 55.36 52.49 1yad s GLN 77 Cb -0.08 -2.92 -0.01 0.00 0.80 0.00 0.00 33.01 30.80 1yad s GLN 77 CO 0.01 -0.24 0.30 -0.51 -0.50 0.00 0.00 175.29 174.35 1yad s LEU 78 N 1.41 4.57 0.86 3.68 1.43 0.80 -0.43 118.68 131.00 1yad s LEU 78 Ca 0.05 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1yad s LEU 78 Cb -0.14 -2.23 0.12 0.00 0.03 0.00 0.00 46.19 43.96 1yad s LEU 78 CO -0.05 -0.31 1.18 -2.84 0.23 0.00 0.00 176.35 174.55 1yad s PRO 79 N 1.85 1.29 0.19 1.29 0.02 -1.26 -1.50 135.00 136.88 1yad s PRO 79 Ca 0.08 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.47 1yad s PRO 79 Cb -0.17 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 1yad s PRO 79 CO 0.11 -2.45 1.53 0.45 -0.33 0.00 0.00 177.00 176.30 1yad s SER 80 N -2.38 6.60 0.00 2.53 0.15 -1.22 -2.09 113.70 117.29 1yad s SER 80 Ca 0.70 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.99 1yad s SER 80 Cb -0.26 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1yad s SER 80 CO 0.54 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1yad n GLY 81 N 3.26 1.06 0.00 9.45 0.00 -1.26 -5.04 105.19 112.66 1yad n GLY 81 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1yad n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yad n SER 82 N 0.00 0.00 -4.72 1.61 2.88 -0.89 -5.04 113.62 107.46 1yad n SER 82 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1yad n SER 82 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1yad n SER 82 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1yad n PHE 83 N 0.00 1.99 -3.31 0.66 3.72 -1.26 -5.00 117.46 114.26 1yad n PHE 83 Ca 0.00 0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 57.48 1yad n PHE 83 Cb 0.00 -2.30 -0.06 0.00 -0.94 0.00 0.00 39.48 36.18 1yad n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1yad s SER 84 N -1.12 6.83 0.26 4.37 1.04 -1.26 -4.92 113.70 118.90 1yad s SER 84 Ca 0.76 1.12 -0.02 0.00 0.48 0.00 0.00 55.95 58.30 1yad s SER 84 Cb -0.41 -2.31 0.47 0.00 0.10 0.00 0.00 66.02 63.88 1yad s SER 84 CO 0.46 0.05 1.83 -0.65 0.98 0.00 0.00 173.24 175.91 1yad h PRO 85 N 3.32 0.92 -0.42 4.02 0.11 -1.93 -2.23 132.00 135.78 1yad h PRO 85 Ca -0.48 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.64 1yad h PRO 85 Cb 1.19 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 1yad h PRO 85 CO 0.66 0.61 0.06 0.87 -0.21 0.00 0.00 178.00 179.99 1yad h LYS 86 N 0.95 0.17 0.33 1.05 1.57 -1.83 0.19 116.57 119.00 1yad h LYS 86 Ca 0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1yad h LYS 86 Cb 0.39 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1yad h LYS 86 CO -0.24 0.11 -0.40 1.96 -0.57 0.00 0.00 179.45 180.31 1yad h GLN 87 N 0.18 -0.74 -0.64 3.15 4.20 -1.76 -1.94 115.11 117.55 1yad h GLN 87 Ca 0.21 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1yad h GLN 87 Cb 0.27 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1yad h GLN 87 CO -0.30 -0.50 0.41 0.82 -0.67 0.00 0.00 178.83 178.60 1yad h ILE 88 N -0.77 1.17 -0.68 2.54 2.04 -1.25 -2.92 117.51 117.64 1yad h ILE 88 Ca -0.02 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1yad h ILE 88 Cb 0.71 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1yad h ILE 88 CO -0.11 0.17 0.22 -0.09 0.00 0.00 0.00 178.15 178.35 1yad h ARG 89 N 0.86 1.04 -0.99 2.37 2.43 -0.54 0.49 114.38 120.04 1yad h ARG 89 Ca 0.23 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1yad h ARG 89 Cb -0.08 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.25 1yad h ARG 89 CO -0.05 0.88 0.65 0.00 -1.51 0.00 0.00 179.97 179.94 1yad h ALA 90 N 1.24 1.31 0.11 2.80 0.00 -1.16 -2.21 119.26 121.35 1yad h ALA 90 Ca 0.22 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.75 1yad h ALA 90 Cb 0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yad h ALA 90 CO -0.01 0.54 -1.84 -0.09 0.00 0.00 0.00 179.25 177.85 1yad h ARG 91 N 1.25 0.23 -2.78 0.00 9.65 -1.41 -3.42 114.38 117.91 1yad h ARG 91 Ca 0.39 -0.39 -0.61 0.00 -1.10 0.00 0.00 59.98 58.28 1yad h ARG 91 Cb 0.00 0.14 -0.41 0.00 -1.39 0.00 0.00 29.97 28.31 1yad h ARG 91 CO -0.12 1.07 -0.69 1.19 2.80 0.00 0.00 179.97 184.22 1yad n PHE 92 N -3.40 2.22 0.31 2.20 3.72 0.17 -4.96 117.46 117.71 1yad n PHE 92 Ca -0.26 -4.04 0.19 0.00 -0.05 0.00 0.00 57.45 53.29 1yad n PHE 92 Cb 1.05 -0.41 1.04 0.00 -0.94 0.00 0.00 39.48 40.22 1yad n PHE 92 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yad h PRO 93 N 5.24 0.00 0.00 -1.08 0.11 -1.61 -2.73 132.00 131.93 1yad h PRO 93 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1yad h PRO 93 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1yad h PRO 93 CO 0.64 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.04 1yad n HIS 94 N -3.37 0.77 -2.59 0.65 1.44 -1.26 -4.88 115.22 105.98 1yad n HIS 94 Ca -0.02 0.24 -0.40 0.00 -2.01 0.00 0.00 57.72 55.53 1yad n HIS 94 Cb 0.15 -0.89 -0.05 0.00 0.12 0.00 0.00 29.99 29.32 1yad n HIS 94 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1yad s LEU 95 N -4.29 4.55 -0.24 2.39 1.43 -1.03 -4.93 118.68 116.56 1yad s LEU 95 Ca 0.09 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.14 1yad s LEU 95 Cb 0.12 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1yad s LEU 95 CO 0.53 -0.05 0.49 -1.00 0.23 0.00 0.00 176.35 176.54 1yad s HIS 96 N -1.22 3.31 -0.18 0.29 3.76 0.06 -5.00 115.29 116.31 1yad s HIS 96 Ca 0.44 0.66 -0.03 0.00 -0.15 0.00 0.00 55.06 55.98 1yad s HIS 96 Cb -0.29 -2.67 -0.01 0.00 1.11 0.00 0.00 32.58 30.72 1yad s HIS 96 CO 0.36 -0.19 -0.07 0.42 -0.85 0.00 0.00 174.74 174.41 1yad s ILE 97 N 1.97 3.30 0.03 0.60 1.01 -1.26 -1.59 121.20 125.26 1yad s ILE 97 Ca 0.21 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1yad s ILE 97 Cb -0.15 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1yad s ILE 97 CO 0.09 0.47 -0.07 -0.83 0.00 0.00 0.00 174.94 174.60 1yad s GLY 98 N 1.00 1.77 -0.10 6.18 0.00 -0.27 0.07 107.32 115.97 1yad s GLY 98 Ca -0.00 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.69 1yad s GLY 98 CO -0.00 -0.95 -0.24 0.50 0.00 0.00 0.00 173.10 172.41 1yad s ARG 99 N -1.60 3.02 -0.36 2.90 1.81 -0.70 -0.14 118.95 123.88 1yad s ARG 99 Ca 0.18 -0.87 -0.25 0.00 -1.72 0.00 0.00 55.73 53.07 1yad s ARG 99 Cb -0.11 -2.29 0.01 0.00 -0.45 0.00 0.00 34.95 32.11 1yad s ARG 99 CO 0.09 0.16 0.90 -1.12 -0.68 0.00 0.00 175.30 174.66 1yad s SER 100 N 0.38 6.67 0.26 0.23 0.01 -0.56 -0.66 113.70 120.01 1yad s SER 100 Ca -0.18 0.56 0.10 0.00 1.31 0.00 0.00 55.95 57.75 1yad s SER 100 Cb -0.18 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1yad s SER 100 CO 0.08 -0.82 -0.10 0.68 0.41 0.00 0.00 173.24 173.49 1yad s VAL 101 N 3.38 3.01 -0.00 3.43 -7.23 -0.44 -3.44 120.40 119.11 1yad s VAL 101 Ca 0.37 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1yad s VAL 101 Cb -0.12 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.25 1yad s VAL 101 CO 0.18 -0.34 0.68 1.41 -0.31 0.00 0.00 175.10 176.72 1yad n HIS 102 N -0.62 0.00 -3.83 2.82 8.25 -1.26 -2.59 115.22 117.98 1yad n HIS 102 Ca -0.07 -0.13 -0.08 0.00 -0.26 0.00 0.00 57.72 57.18 1yad n HIS 102 Cb 0.59 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 1yad n HIS 102 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1yad s SER 103 N -0.41 -0.26 0.08 0.41 1.04 -1.26 -4.99 113.70 108.31 1yad s SER 103 Ca 0.01 -0.60 -0.20 0.00 0.48 0.00 0.00 55.95 55.64 1yad s SER 103 Cb 0.01 0.68 -0.10 0.00 0.10 0.00 0.00 66.02 66.71 1yad s SER 103 CO 0.00 -1.25 1.52 0.25 0.98 0.00 0.00 173.24 174.75 1yad h LEU 104 N 2.07 0.34 -1.01 2.42 7.12 -1.98 -2.23 115.31 122.03 1yad h LEU 104 Ca -0.23 -0.29 -0.02 0.00 0.13 0.00 0.00 57.88 57.48 1yad h LEU 104 Cb 1.26 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 41.26 1yad h LEU 104 CO 0.28 0.55 0.45 -0.08 -0.13 0.00 0.00 178.44 179.50 1yad h GLU 105 N 0.13 1.14 -0.25 1.25 4.57 -1.99 -1.73 114.58 117.69 1yad h GLU 105 Ca 0.06 -0.13 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 1yad h GLU 105 Cb 0.36 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1yad h GLU 105 CO 0.01 0.83 -0.26 1.49 -1.18 0.00 0.00 179.01 179.90 1yad h GLU 106 N 1.14 0.49 -0.11 1.92 4.81 -1.95 -0.89 114.58 120.00 1yad h GLU 106 Ca 0.29 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1yad h GLU 106 Cb 0.03 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1yad h GLU 106 CO -0.05 0.71 0.00 0.00 -0.73 0.00 0.00 179.01 178.95 1yad h ALA 107 N 1.29 0.15 -0.33 2.92 0.00 -0.77 0.06 119.26 122.59 1yad h ALA 107 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1yad h ALA 107 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1yad h ALA 107 CO 0.05 -0.17 -0.11 -0.39 0.00 0.00 0.00 179.25 178.64 1yad h VAL 108 N -0.08 1.23 -0.37 0.00 -1.51 -1.26 -2.06 116.25 112.21 1yad h VAL 108 Ca 0.03 -1.02 -0.12 0.00 -1.23 0.00 0.00 66.70 64.36 1yad h VAL 108 Cb 0.35 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 1yad h VAL 108 CO 0.01 0.34 -0.25 -0.61 -1.23 0.00 0.00 177.57 175.83 1yad h GLN 109 N 0.51 0.75 -0.62 5.19 5.75 -1.02 -1.65 115.11 124.02 1yad h GLN 109 Ca 0.10 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 1yad h GLN 109 Cb 0.49 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1yad h GLN 109 CO 0.03 0.92 0.31 0.00 -2.65 0.00 0.00 178.83 177.45 1yad h ALA 110 N 1.07 0.80 -0.38 3.38 0.00 -0.43 0.12 119.26 123.82 1yad h ALA 110 Ca 0.09 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1yad h ALA 110 Cb 0.76 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1yad h ALA 110 CO 0.06 0.35 -0.16 1.49 0.00 0.00 0.00 179.25 180.99 1yad h GLU 111 N 0.85 0.71 -0.47 0.00 4.81 -1.22 -1.60 114.58 117.67 1yad h GLU 111 Ca 0.22 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1yad h GLU 111 Cb 0.09 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1yad h GLU 111 CO -0.03 0.83 -0.01 0.87 -0.73 0.00 0.00 179.01 179.95 1yad h LYS 112 N 0.64 0.77 -0.66 1.92 1.57 -0.63 -1.90 116.57 118.28 1yad h LYS 112 Ca 0.10 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1yad h LYS 112 Cb 0.63 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1yad h LYS 112 CO 0.04 0.79 0.00 0.39 -0.57 0.00 0.00 179.45 180.10 1yad n GLU 113 N -4.21 1.33 -3.23 3.15 1.02 0.36 -4.88 120.64 114.17 1yad n GLU 113 Ca 0.02 -0.31 -0.19 0.00 -0.02 0.00 0.00 57.16 56.66 1yad n GLU 113 Cb 0.30 -1.40 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1yad n GLU 113 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1yad n ASP 114 N -0.05 -5.46 -4.80 1.62 2.03 -0.72 -2.67 116.55 106.50 1yad n ASP 114 Ca 0.03 -0.37 -0.34 0.00 0.52 0.00 0.00 54.79 54.62 1yad n ASP 114 Cb 0.25 -4.13 -0.04 0.00 -0.72 0.00 0.00 41.12 36.48 1yad n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yad s ALA 115 N -3.20 2.88 0.05 -1.67 0.00 -0.64 -4.83 121.76 114.36 1yad s ALA 115 Ca 0.41 0.61 0.11 0.00 0.00 0.00 0.00 51.96 53.09 1yad s ALA 115 Cb -0.18 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1yad s ALA 115 CO 0.50 -0.30 1.41 -0.44 0.00 0.00 0.00 175.76 176.94 1yad h ASP 116 N 1.60 0.00 -5.27 0.00 3.32 -0.71 -3.45 116.42 111.92 1yad h ASP 116 Ca -0.49 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.72 1yad h ASP 116 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 1yad h ASP 116 CO 0.59 0.74 0.46 -0.72 -1.72 0.00 0.00 179.24 178.59 1yad s TYR 117 N -2.97 -0.15 0.15 4.55 -0.85 -1.18 -4.19 117.35 112.72 1yad s TYR 117 Ca 0.02 -0.16 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 1yad s TYR 117 Cb 0.10 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 1yad s TYR 117 CO 0.78 -0.85 -0.15 0.14 -1.52 0.00 0.00 175.55 173.95 1yad s VAL 118 N -3.33 1.55 -0.33 -3.49 -7.23 -0.66 -1.71 120.40 105.21 1yad s VAL 118 Ca 0.12 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1yad s VAL 118 Cb -0.02 -1.74 0.09 0.00 0.56 0.00 0.00 36.38 35.27 1yad s VAL 118 CO 0.02 -0.43 0.03 -0.22 -0.31 0.00 0.00 175.10 174.20 1yad s LEU 119 N -2.70 4.43 -0.36 1.32 2.96 0.16 -0.76 118.68 123.74 1yad s LEU 119 Ca 0.14 -1.83 -0.23 0.00 -0.22 0.00 0.00 54.13 51.99 1yad s LEU 119 Cb -0.04 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 45.00 1yad s LEU 119 CO 0.05 -0.35 0.76 0.12 -1.32 0.00 0.00 176.35 175.60 1yad s PHE 120 N 1.04 3.13 0.03 5.38 5.36 0.15 -1.33 117.98 131.74 1yad s PHE 120 Ca 0.03 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 56.56 1yad s PHE 120 Cb -0.20 -3.34 -0.04 0.00 -0.34 0.00 0.00 43.02 39.10 1yad s PHE 120 CO -0.06 -0.70 0.04 0.20 -1.46 0.00 0.00 175.22 173.24 1yad s GLY 121 N 1.82 1.96 -0.55 13.12 0.00 -1.07 -1.39 107.32 121.20 1yad s GLY 121 Ca 0.30 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 1yad s GLY 121 CO 0.16 -0.88 0.48 1.42 0.00 0.00 0.00 173.10 174.28 1yad n HIS 122 N 0.98 -1.29 0.20 1.90 8.25 0.34 -4.89 115.22 120.70 1yad n HIS 122 Ca -0.12 0.45 0.09 0.00 -0.26 0.00 0.00 57.72 57.89 1yad n HIS 122 Cb 0.52 -3.36 0.19 0.00 1.12 0.00 0.00 29.99 28.46 1yad n HIS 122 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 1yad h VAL 123 N -0.58 0.30 -3.48 1.59 -1.51 -1.61 -3.45 116.25 107.52 1yad h VAL 123 Ca -0.32 -1.33 -0.64 0.00 -1.23 0.00 0.00 66.70 63.17 1yad h VAL 123 Cb 1.16 2.07 -0.40 0.00 -2.13 0.00 0.00 31.29 31.99 1yad h VAL 123 CO 0.23 0.16 -0.69 -0.36 -1.23 0.00 0.00 177.57 175.69 1yad s PHE 124 N -3.21 3.26 0.00 5.19 0.08 -1.06 -2.67 117.98 119.58 1yad s PHE 124 Ca 0.05 -2.96 0.00 0.00 0.12 0.00 0.00 56.93 54.14 1yad s PHE 124 Cb 0.06 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1yad s PHE 124 CO 0.68 -0.85 0.00 2.89 -0.10 0.00 0.00 175.22 177.84 1yad n ARG 135 N 3.75 0.00 0.11 0.44 0.00 -1.26 -4.73 116.66 114.96 1yad n ARG 135 Ca 0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.67 1yad n ARG 135 Cb 0.37 0.00 -0.15 0.00 -0.00 0.00 0.00 32.46 32.68 1yad n ARG 135 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1yad h GLY 136 N 0.00 0.48 1.04 2.89 0.00 -1.83 -3.33 103.07 102.33 1yad h GLY 136 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 47.33 46.13 1yad h GLY 136 CO 0.00 1.07 0.58 -2.08 0.00 0.00 0.00 176.54 176.11 1yad h VAL 137 N 0.11 1.16 -0.21 4.60 2.07 -1.95 -0.68 116.25 121.35 1yad h VAL 137 Ca -0.27 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1yad h VAL 137 Cb 2.10 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1yad h VAL 137 CO 0.22 0.20 0.13 -1.28 0.02 0.00 0.00 177.57 176.87 1yad h SER 138 N 1.11 0.25 -0.64 0.57 0.87 -1.95 0.11 113.55 113.88 1yad h SER 138 Ca 0.34 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.81 1yad h SER 138 Cb -0.00 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1yad h SER 138 CO -0.10 0.21 0.15 0.25 -0.53 0.00 0.00 176.83 176.81 1yad h LEU 139 N 0.27 0.99 -0.58 2.23 5.85 -1.57 -0.24 115.31 122.26 1yad h LEU 139 Ca 0.08 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1yad h LEU 139 Cb -0.00 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1yad h LEU 139 CO -0.02 0.95 0.24 0.25 -0.34 0.00 0.00 178.44 179.53 1yad h LEU 140 N 0.99 0.28 -0.33 2.25 5.85 -0.47 -0.01 115.31 123.87 1yad h LEU 140 Ca 0.21 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1yad h LEU 140 Cb 0.36 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1yad h LEU 140 CO 0.00 0.18 0.04 -1.28 -0.34 0.00 0.00 178.44 177.04 1yad h SER 141 N 0.45 0.55 -0.47 1.25 0.87 -0.06 -2.10 113.55 114.03 1yad h SER 141 Ca 0.28 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1yad h SER 141 Cb 0.30 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1yad h SER 141 CO -0.26 0.69 0.24 0.44 -0.53 0.00 0.00 176.83 177.41 1yad h ASP 142 N 0.38 0.35 -0.10 6.23 3.32 -0.35 -1.61 116.42 124.64 1yad h ASP 142 Ca 0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1yad h ASP 142 Cb 0.39 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1yad h ASP 142 CO 0.01 0.24 0.06 0.40 -1.72 0.00 0.00 179.24 178.24 1yad h ILE 143 N 0.47 1.02 -0.40 0.35 2.04 -0.93 -0.53 117.51 119.53 1yad h ILE 143 Ca 0.20 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 66.13 1yad h ILE 143 Cb 0.10 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1yad h ILE 143 CO -0.14 0.02 0.29 0.11 0.00 0.00 0.00 178.15 178.43 1yad h LYS 144 N 0.13 0.03 0.01 2.37 1.79 -1.01 0.28 116.57 120.17 1yad h LYS 144 Ca 0.04 -0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.35 1yad h LYS 144 Cb -0.01 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1yad h LYS 144 CO -0.01 0.02 -0.63 1.96 -1.08 0.00 0.00 179.45 179.71 1yad h GLN 145 N 0.03 0.41 0.05 3.15 4.20 -0.32 -3.35 115.11 119.28 1yad h GLN 145 Ca 0.19 -0.45 -0.27 0.00 0.06 0.00 0.00 58.65 58.17 1yad h GLN 145 Cb 0.73 0.13 0.02 0.00 0.30 0.00 0.00 27.48 28.66 1yad h GLN 145 CO -0.01 1.12 -1.12 0.00 -0.67 0.00 0.00 178.83 178.15 1yad h ARG 146 N -0.10 0.60 -6.62 1.46 3.08 -0.33 -3.46 114.38 109.01 1yad h ARG 146 Ca -0.08 -0.72 -0.51 0.00 0.07 0.00 0.00 59.98 58.74 1yad h ARG 146 Cb 1.35 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 1yad h ARG 146 CO 0.12 1.31 0.03 0.42 -1.07 0.00 0.00 179.97 180.78 1yad s ILE 147 N -3.14 4.75 -0.28 2.04 -1.09 0.93 -5.01 121.20 119.40 1yad s ILE 147 Ca -0.09 0.82 0.20 0.00 -2.23 0.00 0.00 60.65 59.35 1yad s ILE 147 Cb 0.07 -3.63 -0.28 0.00 -1.58 0.00 0.00 42.46 37.04 1yad s ILE 147 CO 0.92 -0.12 0.55 -0.24 -1.23 0.00 0.00 174.94 174.82 1yad n SER 148 N -0.22 0.54 -4.92 3.58 2.88 -1.26 -4.78 113.62 109.45 1yad n SER 148 Ca 0.02 -0.27 -0.27 0.00 -1.33 0.00 0.00 58.87 57.02 1yad n SER 148 Cb 0.53 1.66 -0.02 0.00 -0.75 0.00 0.00 64.21 65.63 1yad n SER 148 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1yad s ILE 149 N -3.24 5.02 0.38 2.46 -4.36 -1.26 -5.04 121.20 115.16 1yad s ILE 149 Ca -0.03 -0.08 -0.24 0.00 -0.26 0.00 0.00 60.65 60.03 1yad s ILE 149 Cb 0.13 -3.81 -0.13 0.00 1.25 0.00 0.00 42.46 39.91 1yad s ILE 149 CO 0.83 -0.53 0.75 -2.65 0.24 0.00 0.00 174.94 173.57 1yad n PRO 150 N -1.55 0.86 -3.97 0.37 -0.02 -1.26 -4.80 135.00 124.64 1yad n PRO 150 Ca -0.02 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.46 1yad n PRO 150 Cb 0.55 -1.67 -0.16 0.00 -0.02 0.00 0.00 33.50 32.21 1yad n PRO 150 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yad s VAL 151 N -1.31 1.62 -0.22 -1.45 1.01 -1.26 -1.65 120.40 117.14 1yad s VAL 151 Ca 0.63 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1yad s VAL 151 Cb -0.63 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1yad s VAL 151 CO 0.58 -0.03 0.27 -0.63 0.00 0.00 0.00 175.10 175.29 1yad s ILE 152 N 1.36 5.28 0.00 2.22 -1.09 0.06 -0.82 121.20 128.22 1yad s ILE 152 Ca -0.05 0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 58.60 1yad s ILE 152 Cb -0.18 -3.60 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1yad s ILE 152 CO -0.06 0.30 0.52 0.00 -1.23 0.00 0.00 174.94 174.47 1yad s ALA 153 N 1.21 3.57 0.03 9.38 0.00 -0.27 -0.68 121.76 134.99 1yad s ALA 153 Ca 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 1yad s ALA 153 Cb -0.14 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1yad s ALA 153 CO 0.06 0.28 -0.03 -1.50 0.00 0.00 0.00 175.76 174.57 1yad s ILE 154 N -0.54 0.18 0.00 0.00 2.07 -0.49 -0.44 121.20 121.98 1yad s ILE 154 Ca 0.28 -1.16 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 1yad s ILE 154 Cb -0.18 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1yad s ILE 154 CO 0.16 -0.62 0.00 0.61 -1.91 0.00 0.00 174.94 173.18 1yad n GLY 155 N 1.20 1.34 2.20 1.50 0.00 -1.26 0.13 105.19 110.29 1yad n GLY 155 Ca -0.21 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1yad n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yad n GLY 156 N 0.18 0.90 3.70 -0.02 0.00 -1.26 -2.55 105.19 106.13 1yad n GLY 156 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1yad n GLY 156 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yad s MET 157 N -2.63 4.16 0.04 1.61 -1.94 -1.26 -4.93 119.30 114.36 1yad s MET 157 Ca 0.00 2.49 0.00 0.00 -1.71 0.00 0.00 55.69 56.47 1yad s MET 157 Cb 0.00 -3.35 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 1yad s MET 157 CO 0.00 -0.74 -0.04 0.95 -0.01 0.00 0.00 175.02 175.18 1yad s THR 158 N 1.92 0.30 0.42 2.05 -4.23 -1.26 -4.80 115.64 110.03 1yad s THR 158 Ca 0.75 -1.36 0.17 0.00 -1.18 0.00 0.00 61.69 60.08 1yad s THR 158 Cb -0.45 -0.90 0.37 0.00 1.34 0.00 0.00 72.50 72.86 1yad s THR 158 CO 0.33 -0.68 1.88 -0.65 -0.54 0.00 0.00 174.62 174.96 1yad h PRO 159 N 3.93 0.40 -0.11 3.99 0.11 -1.94 -0.83 132.00 137.54 1yad h PRO 159 Ca -0.34 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1yad h PRO 159 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1yad h PRO 159 CO 0.52 0.26 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.91 1yad h ASP 160 N 0.41 0.18 0.00 -2.05 3.32 -1.97 -3.05 116.42 113.26 1yad h ASP 160 Ca 0.43 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1yad h ASP 160 Cb 1.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1yad h ASP 160 CO -0.15 0.41 -0.14 0.54 -1.72 0.00 0.00 179.24 178.18 1yad n ARG 161 N -4.21 1.79 -0.37 3.56 1.74 -0.35 -4.48 116.66 114.34 1yad n ARG 161 Ca -0.01 -1.39 -0.01 0.00 -0.77 0.00 0.00 57.85 55.67 1yad n ARG 161 Cb 0.32 -1.47 0.14 0.00 -1.02 0.00 0.00 32.46 30.43 1yad n ARG 161 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1yad h LEU 162 N 3.39 1.11 -0.32 0.55 3.38 -1.35 -2.24 115.31 119.82 1yad h LEU 162 Ca 0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1yad h LEU 162 Cb 0.80 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1yad h LEU 162 CO 0.00 0.78 0.12 0.03 0.09 0.00 0.00 178.44 179.46 1yad h ARG 163 N 1.30 0.25 -0.47 1.13 2.47 -1.79 0.57 114.38 117.84 1yad h ARG 163 Ca 0.38 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.12 1yad h ARG 163 Cb -0.07 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.16 1yad h ARG 163 CO -0.10 0.17 0.25 -0.44 0.56 0.00 0.00 179.97 180.40 1yad h ASP 164 N 0.26 0.37 -0.78 7.04 5.19 -1.77 0.14 116.42 126.87 1yad h ASP 164 Ca 0.15 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1yad h ASP 164 Cb 0.11 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.53 1yad h ASP 164 CO -0.15 0.26 0.49 0.58 -3.12 0.00 0.00 179.24 177.31 1yad h VAL 165 N 0.50 1.21 -0.57 -1.35 2.07 -0.81 -2.18 116.25 115.11 1yad h VAL 165 Ca 0.20 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1yad h VAL 165 Cb 0.09 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1yad h VAL 165 CO -0.13 0.21 0.14 0.11 0.02 0.00 0.00 177.57 177.93 1yad h LYS 166 N 1.06 0.91 -0.50 1.57 6.56 -0.28 -2.89 116.57 122.99 1yad h LYS 166 Ca 0.28 -0.22 0.10 0.00 -1.06 0.00 0.00 60.65 59.76 1yad h LYS 166 Cb -0.08 -0.12 -0.10 0.00 -0.57 0.00 0.00 32.23 31.36 1yad h LYS 166 CO -0.06 0.84 -0.14 1.96 -2.06 0.00 0.00 179.45 179.99 1yad h GLN 167 N 0.81 -0.02 -0.06 3.15 1.08 -0.37 0.27 115.11 119.96 1yad h GLN 167 Ca 0.18 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1yad h GLN 167 Cb 0.34 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1yad h GLN 167 CO 0.00 -0.01 0.14 0.00 -0.95 0.00 0.00 178.83 178.01 1yad h ALA 168 N 1.45 1.41 0.00 3.87 0.00 -1.26 -3.45 119.26 121.29 1yad h ALA 168 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yad h ALA 168 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yad h ALA 168 CO -0.53 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 178.96 1yad n GLY 169 N -1.25 1.08 3.76 0.00 0.00 0.94 -4.43 105.19 105.29 1yad n GLY 169 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1yad n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yad n ALA 170 N -1.79 2.25 1.11 4.61 0.00 -1.13 -4.88 120.51 120.67 1yad n ALA 170 Ca 0.00 0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.93 1yad n ALA 170 Cb 0.00 -2.40 0.52 0.00 0.00 0.00 0.00 19.45 17.57 1yad n ALA 170 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yad n ASP 171 N 0.83 0.24 0.00 0.00 8.00 -0.00 -4.81 116.55 120.80 1yad n ASP 171 Ca 0.03 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1yad n ASP 171 Cb 0.38 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1yad n ASP 171 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yad n GLY 172 N 1.44 -0.16 3.21 0.44 0.00 -1.23 -1.70 105.19 107.18 1yad n GLY 172 Ca 0.09 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 1yad n GLY 172 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1yad s ILE 173 N -2.00 1.09 -0.03 -0.61 -4.36 -0.26 -1.12 121.20 113.91 1yad s ILE 173 Ca 0.00 -1.72 0.07 0.00 -0.26 0.00 0.00 60.65 58.74 1yad s ILE 173 Cb 0.00 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.22 1yad s ILE 173 CO 0.00 -0.54 -0.24 0.00 0.24 0.00 0.00 174.94 174.40 1yad s ALA 174 N -2.47 2.06 -0.06 2.27 0.00 0.42 -0.52 121.76 123.45 1yad s ALA 174 Ca 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1yad s ALA 174 Cb -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1yad s ALA 174 CO 0.01 0.46 -0.06 0.08 0.00 0.00 0.00 175.76 176.24 1yad s VAL 175 N -0.39 0.71 0.00 0.00 1.01 0.48 -4.30 120.40 117.91 1yad s VAL 175 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1yad s VAL 175 Cb -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1yad s VAL 175 CO 0.01 0.27 0.00 0.80 0.00 0.00 0.00 175.10 176.18 1yad n MET 176 N 4.12 0.00 0.18 2.72 1.56 -1.26 -0.86 117.12 123.57 1yad n MET 176 Ca -0.22 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.31 1yad n MET 176 Cb 0.51 0.00 0.63 0.00 2.15 0.00 0.00 33.22 36.51 1yad n MET 176 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1yad h SER 177 N 0.00 0.05 0.00 6.12 4.64 -1.95 -1.22 113.55 121.20 1yad h SER 177 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yad h SER 177 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1yad h SER 177 CO 0.00 0.03 0.03 0.61 -0.87 0.00 0.00 176.83 176.63 1yad n GLY 178 N -1.55 -0.64 1.18 -0.77 0.00 -1.26 -1.58 105.19 100.57 1yad n GLY 178 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yad n GLY 178 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yad n ILE 179 N -1.83 0.73 0.31 -0.61 5.41 -0.71 -4.73 119.36 117.93 1yad n ILE 179 Ca -0.01 0.24 0.16 0.00 1.00 0.00 0.00 62.75 64.15 1yad n ILE 179 Cb 0.04 -1.40 0.71 0.00 -0.71 0.00 0.00 39.64 38.28 1yad n ILE 179 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1yad h PHE 180 N 0.00 0.00 -0.01 1.39 0.04 -1.30 -2.48 116.94 114.58 1yad h PHE 180 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1yad h PHE 180 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1yad h PHE 180 CO 0.00 0.00 -0.42 0.43 -0.60 0.00 0.00 178.31 177.72 1yad n SER 181 N -2.82 1.41 -4.80 2.17 7.64 -0.61 -4.94 113.62 111.67 1yad n SER 181 Ca 0.00 -1.12 -0.34 0.00 1.01 0.00 0.00 58.87 58.42 1yad n SER 181 Cb 0.24 0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 1yad n SER 181 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1yad s SER 182 N -2.56 6.31 0.34 6.43 0.15 -0.93 -4.93 113.70 118.51 1yad s SER 182 Ca 0.20 1.92 0.26 0.00 0.70 0.00 0.00 55.95 59.03 1yad s SER 182 Cb 0.18 -2.56 0.77 0.00 -1.71 0.00 0.00 66.02 62.71 1yad s SER 182 CO 0.58 -0.80 1.74 0.00 1.20 0.00 0.00 173.24 175.97 1yad h ALA 183 N 1.50 1.00 -2.20 5.45 0.00 -1.92 -3.33 119.26 119.76 1yad h ALA 183 Ca -0.49 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1yad h ALA 183 Cb 1.22 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 1yad h ALA 183 CO 0.59 0.00 -0.96 -1.91 0.00 0.00 0.00 179.25 176.97 1yad n GLU 184 N -2.64 0.94 -0.30 0.00 4.07 -1.26 -5.01 120.64 116.44 1yad n GLU 184 Ca 0.04 -3.53 0.11 0.00 -0.06 0.00 0.00 57.16 53.72 1yad n GLU 184 Cb 0.41 -1.57 0.25 0.00 -0.06 0.00 0.00 31.44 30.47 1yad n GLU 184 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1yad h PRO 185 N 4.54 0.09 -0.57 5.31 0.11 -1.75 -0.58 132.00 139.15 1yad h PRO 185 Ca 0.15 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1yad h PRO 185 Cb 0.84 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1yad h PRO 185 CO 0.51 0.06 0.27 1.25 -0.21 0.00 0.00 178.00 179.89 1yad h LEU 186 N 0.10 0.75 -0.07 2.35 5.85 -1.89 0.05 115.31 122.44 1yad h LEU 186 Ca 0.52 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1yad h LEU 186 Cb 1.03 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1yad h LEU 186 CO -0.76 0.68 0.02 -0.33 -0.34 0.00 0.00 178.44 177.71 1yad h GLU 187 N 0.78 0.11 -0.61 1.25 4.39 -1.60 -1.08 114.58 117.81 1yad h GLU 187 Ca 0.20 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.96 1yad h GLU 187 Cb 0.13 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.69 1yad h GLU 187 CO -0.02 0.27 0.25 0.00 -1.16 0.00 0.00 179.01 178.35 1yad h ALA 188 N 0.83 0.80 -0.77 3.43 0.00 -0.99 0.72 119.26 123.29 1yad h ALA 188 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1yad h ALA 188 Cb 0.21 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1yad h ALA 188 CO -0.00 -0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.46 1yad h ALA 189 N 1.40 1.19 -0.59 0.00 0.00 -0.78 -2.11 119.26 118.36 1yad h ALA 189 Ca 0.30 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1yad h ALA 189 Cb 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1yad h ALA 189 CO -0.28 0.61 0.13 0.00 0.00 0.00 0.00 179.25 179.72 1yad h ARG 190 N 1.09 0.93 -1.00 0.00 3.08 0.24 -1.32 114.38 117.40 1yad h ARG 190 Ca 0.26 -0.21 0.11 0.00 0.07 0.00 0.00 59.98 60.22 1yad h ARG 190 Cb 0.12 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 1yad h ARG 190 CO -0.03 0.84 0.63 0.00 -1.07 0.00 0.00 179.97 180.35 1yad h ARG 191 N 0.89 0.99 0.14 0.04 3.08 -0.24 0.70 114.38 119.98 1yad h ARG 191 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1yad h ARG 191 Cb 0.34 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1yad h ARG 191 CO 0.00 0.66 -0.07 1.88 -1.07 0.00 0.00 179.97 181.37 1yad h TYR 192 N 1.02 -0.18 -0.39 3.04 0.05 -1.16 -2.59 116.97 116.76 1yad h TYR 192 Ca 0.49 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.25 1yad h TYR 192 Cb 0.44 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 1yad h TYR 192 CO -0.00 0.28 0.19 0.66 -1.05 0.00 0.00 178.16 178.23 1yad h SER 193 N -0.86 0.47 0.49 3.88 4.64 -1.04 -0.91 113.55 120.23 1yad h SER 193 Ca -0.02 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1yad h SER 193 Cb 0.53 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1yad h SER 193 CO 0.03 0.40 -0.23 -0.09 -0.87 0.00 0.00 176.83 176.07 1yad h ARG 194 N 0.53 -0.63 -0.33 4.77 2.43 0.35 0.11 114.38 121.61 1yad h ARG 194 Ca 0.14 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1yad h ARG 194 Cb 0.05 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1yad h ARG 194 CO -0.02 -0.42 0.17 -0.22 -1.51 0.00 0.00 179.97 177.97 1yad h LYS 195 N -0.67 0.34 0.08 0.20 1.63 -1.06 0.45 116.57 117.54 1yad h LYS 195 Ca -0.07 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1yad h LYS 195 Cb 0.51 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1yad h LYS 195 CO 0.11 0.22 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.11 1yad h LEU 196 N 0.35 -0.42 -0.98 5.20 3.38 -1.03 0.21 115.31 122.02 1yad h LEU 196 Ca 0.14 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1yad h LEU 196 Cb 0.05 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1yad h LEU 196 CO -0.09 -0.22 0.32 0.11 0.09 0.00 0.00 178.44 178.65 1yad h LYS 197 N -0.30 1.05 -0.95 1.13 1.57 -0.59 0.84 116.57 119.33 1yad h LYS 197 Ca 0.02 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1yad h LYS 197 Cb 0.31 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1yad h LYS 197 CO -0.09 0.83 0.60 1.49 -0.57 0.00 0.00 179.45 181.71 1yad h GLU 198 N 1.04 1.02 0.00 3.15 4.81 0.85 0.19 114.58 125.63 1yad h GLU 198 Ca 0.25 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1yad h GLU 198 Cb 0.15 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1yad h GLU 198 CO -0.03 0.67 -0.25 0.52 -0.73 0.00 0.00 179.01 179.20 1yad h MET 199 N 1.05 0.00 0.00 1.92 2.86 0.17 -3.50 114.93 117.42 1yad h MET 199 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1yad h MET 199 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1yad h MET 199 CO -0.20 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.31