#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ru1 s VAL 2 N 0.00 5.20 -0.13 12.58 1.01 -1.26 -0.63 120.40 137.17 1ru1 s VAL 2 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1ru1 s VAL 2 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1ru1 s VAL 2 CO 0.00 0.02 0.15 0.00 0.00 0.00 0.00 175.10 175.27 1ru1 s ALA 3 N 1.96 3.83 -0.23 5.51 0.00 -0.23 -0.78 121.76 131.82 1ru1 s ALA 3 Ca 0.11 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1ru1 s ALA 3 Cb -0.16 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1ru1 s ALA 3 CO 0.11 0.52 0.01 0.71 0.00 0.00 0.00 175.76 177.11 1ru1 s TYR 4 N -0.76 3.02 -0.09 0.00 2.02 -0.08 -0.85 117.35 120.61 1ru1 s TYR 4 Ca 0.14 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1ru1 s TYR 4 Cb -0.12 -2.15 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1ru1 s TYR 4 CO 0.03 -0.42 -0.13 0.42 -1.57 0.00 0.00 175.55 173.88 1ru1 s ILE 5 N 1.46 3.13 -0.05 2.71 1.01 0.29 -0.10 121.20 129.65 1ru1 s ILE 5 Ca 0.05 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.88 1ru1 s ILE 5 Cb -0.15 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1ru1 s ILE 5 CO 0.00 0.56 0.41 0.00 0.00 0.00 0.00 174.94 175.91 1ru1 s ALA 6 N -0.17 3.62 -0.11 9.38 0.00 0.64 -0.84 121.76 134.29 1ru1 s ALA 6 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1ru1 s ALA 6 Cb -0.13 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1ru1 s ALA 6 CO 0.03 0.30 -0.09 0.42 0.00 0.00 0.00 175.76 176.43 1ru1 s ILE 7 N -0.42 3.47 -0.04 0.00 1.01 0.09 -1.44 121.20 123.87 1ru1 s ILE 7 Ca 0.23 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1ru1 s ILE 7 Cb -0.16 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.88 1ru1 s ILE 7 CO 0.11 0.54 -0.03 -0.83 0.00 0.00 0.00 174.94 174.74 1ru1 s GLY 8 N -0.09 0.39 -0.04 6.18 0.00 -0.09 -1.83 107.32 111.84 1ru1 s GLY 8 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 1ru1 s GLY 8 CO 0.03 0.52 0.08 -0.45 0.00 0.00 0.00 173.10 173.28 1ru1 s SER 9 N 0.99 -0.03 -0.11 1.64 0.15 -0.62 -0.69 113.70 115.03 1ru1 s SER 9 Ca -0.10 0.16 0.15 0.00 0.70 0.00 0.00 55.95 56.85 1ru1 s SER 9 Cb -0.14 0.08 0.27 0.00 -1.71 0.00 0.00 66.02 64.52 1ru1 s SER 9 CO -0.01 -0.10 1.16 -0.46 1.20 0.00 0.00 173.24 175.03 1ru1 n ASN 10 N 3.84 2.51 -4.72 5.45 2.04 -1.26 -0.57 115.26 122.56 1ru1 n ASN 10 Ca -0.23 -2.83 -0.35 0.00 -0.44 0.00 0.00 54.58 50.73 1ru1 n ASN 10 Cb 0.54 -0.36 0.09 0.00 -2.53 0.00 0.00 39.78 37.52 1ru1 n ASN 10 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1ru1 s LEU 11 N -2.44 3.38 0.35 -4.53 1.43 -1.26 -4.82 118.68 110.80 1ru1 s LEU 11 Ca 0.27 2.52 0.04 0.00 -1.03 0.00 0.00 54.13 55.93 1ru1 s LEU 11 Cb 0.23 -4.61 0.67 0.00 0.03 0.00 0.00 46.19 42.52 1ru1 s LEU 11 CO 0.04 -2.31 1.98 0.00 0.23 0.00 0.00 176.35 176.29 1ru1 h ALA 12 N -0.09 1.61 -2.80 4.21 0.00 -1.95 -3.28 119.26 116.96 1ru1 h ALA 12 Ca -0.49 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.78 1ru1 h ALA 12 Cb 1.32 -0.23 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 1ru1 h ALA 12 CO 0.50 0.32 -0.76 -1.12 0.00 0.00 0.00 179.25 178.19 1ru1 s SER 13 N -6.33 3.32 0.00 0.00 0.01 -1.26 -4.99 113.70 104.45 1ru1 s SER 13 Ca -0.10 -3.32 0.28 0.00 1.31 0.00 0.00 55.95 54.12 1ru1 s SER 13 Cb 0.18 -1.07 1.02 0.00 0.21 0.00 0.00 66.02 66.37 1ru1 s SER 13 CO 0.77 -0.15 1.74 -0.81 0.41 0.00 0.00 173.24 175.20 1ru1 n PRO 14 N 2.61 0.42 -0.31 12.44 -0.04 -1.24 -4.40 135.00 144.47 1ru1 n PRO 14 Ca 0.21 -0.17 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1ru1 n PRO 14 Cb 0.40 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1ru1 n PRO 14 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ru1 h LEU 15 N 0.40 0.99 -0.45 1.53 3.38 -1.94 -0.53 115.31 118.69 1ru1 h LEU 15 Ca 0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1ru1 h LEU 15 Cb 0.43 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ru1 h LEU 15 CO 0.00 0.73 -0.54 -0.33 0.09 0.00 0.00 178.44 178.39 1ru1 h GLU 16 N 1.15 0.67 -0.39 1.13 5.08 -1.99 -0.61 114.58 119.61 1ru1 h GLU 16 Ca 0.31 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1ru1 h GLU 16 Cb -0.11 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1ru1 h GLU 16 CO -0.06 1.03 0.16 0.37 -1.00 0.00 0.00 179.01 179.52 1ru1 h GLN 17 N 0.52 0.58 -0.61 2.33 4.15 -1.72 0.22 115.11 120.58 1ru1 h GLN 17 Ca 0.01 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1ru1 h GLN 17 Cb 1.10 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 1ru1 h GLN 17 CO 0.11 0.54 0.18 0.28 -1.93 0.00 0.00 178.83 178.01 1ru1 h VAL 18 N 0.49 1.25 -0.50 2.39 2.07 -1.07 -0.47 116.25 120.41 1ru1 h VAL 18 Ca 0.13 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 1ru1 h VAL 18 Cb 0.17 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1ru1 h VAL 18 CO -0.01 0.32 -0.06 0.78 0.02 0.00 0.00 177.57 178.62 1ru1 h ASN 19 N 0.87 0.85 -0.75 0.57 2.35 -0.94 0.11 115.58 118.65 1ru1 h ASN 19 Ca 0.20 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1ru1 h ASN 19 Cb 0.30 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1ru1 h ASN 19 CO -0.00 0.95 0.38 0.00 -1.65 0.00 0.00 177.43 177.11 1ru1 h ALA 20 N 1.13 0.96 -0.51 -0.83 0.00 -0.70 -0.87 119.26 118.44 1ru1 h ALA 20 Ca 0.14 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ru1 h ALA 20 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ru1 h ALA 20 CO 0.03 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 1ru1 h ALA 21 N 1.19 0.68 -0.54 0.00 0.00 -0.65 -1.91 119.26 118.03 1ru1 h ALA 21 Ca 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1ru1 h ALA 21 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ru1 h ALA 21 CO -0.04 0.51 0.19 -0.07 0.00 0.00 0.00 179.25 179.84 1ru1 h LEU 22 N 0.77 0.77 -0.69 0.00 3.38 -0.50 -0.20 115.31 118.85 1ru1 h LEU 22 Ca 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ru1 h LEU 22 Cb 0.54 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ru1 h LEU 22 CO 0.03 0.76 0.40 0.50 0.09 0.00 0.00 178.44 180.22 1ru1 h LYS 23 N 0.74 0.94 -0.58 1.13 3.64 -1.05 -1.53 116.57 119.86 1ru1 h LYS 23 Ca 0.18 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ru1 h LYS 23 Cb 0.25 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1ru1 h LYS 23 CO -0.01 0.68 0.31 0.00 -2.27 0.00 0.00 179.45 178.16 1ru1 h ALA 24 N 1.21 0.74 -1.00 5.00 0.00 -1.12 -1.72 119.26 122.37 1ru1 h ALA 24 Ca 0.24 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ru1 h ALA 24 Cb -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1ru1 h ALA 24 CO -0.04 0.27 0.66 -0.07 0.00 0.00 0.00 179.25 180.06 1ru1 h LEU 25 N 0.78 1.11 -0.64 0.00 3.38 -0.60 -0.85 115.31 118.48 1ru1 h LEU 25 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ru1 h LEU 25 Cb 0.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1ru1 h LEU 25 CO -0.03 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.88 1ru1 n GLY 26 N -1.37 -1.20 0.58 0.83 0.00 -0.62 -1.96 105.19 101.45 1ru1 n GLY 26 Ca 0.13 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1ru1 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ru1 n ASP 27 N -2.13 2.00 -4.74 1.61 8.00 -0.34 -4.78 116.55 116.16 1ru1 n ASP 27 Ca 0.02 -1.54 -0.42 0.00 0.71 0.00 0.00 54.79 53.57 1ru1 n ASP 27 Cb 0.21 0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 1ru1 n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ru1 s ILE 28 N -2.22 2.34 0.77 0.53 1.01 -0.83 -4.95 121.20 117.86 1ru1 s ILE 28 Ca 0.27 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 1ru1 s ILE 28 Cb 0.20 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.54 1ru1 s ILE 28 CO 0.42 0.04 1.09 -2.16 0.00 0.00 0.00 174.94 174.33 1ru1 s PRO 29 N -0.18 2.29 -1.19 2.79 0.04 -1.26 -3.29 135.00 134.21 1ru1 s PRO 29 Ca 0.63 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1ru1 s PRO 29 Cb -0.45 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1ru1 s PRO 29 CO 0.43 -1.61 0.26 0.39 0.04 0.00 0.00 177.00 176.52 1ru1 n GLU 30 N -3.49 -2.99 -3.73 4.56 1.02 -1.26 -4.81 120.64 109.94 1ru1 n GLU 30 Ca 0.09 0.57 -0.10 0.00 -0.02 0.00 0.00 57.16 57.69 1ru1 n GLU 30 Cb 0.53 -5.24 -0.06 0.00 -0.02 0.00 0.00 31.44 26.65 1ru1 n GLU 30 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ru1 s SER 31 N -2.38 -0.10 0.02 1.62 0.01 -1.21 -0.93 113.70 110.73 1ru1 s SER 31 Ca 0.20 -0.39 -0.26 0.00 1.31 0.00 0.00 55.95 56.81 1ru1 s SER 31 Cb -0.10 0.40 0.06 0.00 0.21 0.00 0.00 66.02 66.59 1ru1 s SER 31 CO 0.24 -0.76 0.60 -1.38 0.41 0.00 0.00 173.24 172.35 1ru1 s HIS 32 N -3.51 -0.54 0.14 2.43 -3.43 -0.12 -4.78 115.29 105.47 1ru1 s HIS 32 Ca 0.02 0.75 -0.30 0.00 -0.80 0.00 0.00 55.06 54.72 1ru1 s HIS 32 Cb 0.02 0.39 -0.06 0.00 -1.43 0.00 0.00 32.58 31.50 1ru1 s HIS 32 CO -0.10 -0.65 1.01 0.42 -2.00 0.00 0.00 174.74 173.42 1ru1 s ILE 33 N -2.00 4.29 -0.22 -5.38 1.01 -1.26 -0.87 121.20 116.76 1ru1 s ILE 33 Ca -0.07 1.93 -0.17 0.00 0.00 0.00 0.00 60.65 62.33 1ru1 s ILE 33 Cb -0.01 -4.23 -0.17 0.00 0.01 0.00 0.00 42.46 38.06 1ru1 s ILE 33 CO 0.02 0.31 0.04 0.18 0.00 0.00 0.00 174.94 175.49 1ru1 n LEU 34 N 2.63 1.99 -3.52 2.97 4.77 0.70 -4.90 117.00 121.64 1ru1 n LEU 34 Ca 0.02 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 1ru1 n LEU 34 Cb 0.48 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1ru1 n LEU 34 CO 0.52 0.44 0.46 0.28 -1.33 0.00 0.00 177.39 177.76 1ru1 s THR 35 N -2.43 0.00 -0.06 -5.08 -1.32 -1.16 -5.01 115.64 100.58 1ru1 s THR 35 Ca -0.32 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.21 1ru1 s THR 35 Cb 0.09 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1ru1 s THR 35 CO 0.58 0.00 -0.22 -0.69 -2.21 0.00 0.00 174.62 172.08 1ru1 s VAL 36 N -1.26 1.84 0.95 5.08 1.01 -1.26 -0.79 120.40 125.97 1ru1 s VAL 36 Ca -0.10 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 1ru1 s VAL 36 Cb -0.00 -1.58 0.16 0.00 0.00 0.00 0.00 36.38 34.96 1ru1 s VAL 36 CO 0.09 0.52 1.12 -0.94 0.00 0.00 0.00 175.10 175.89 1ru1 s SER 37 N 0.04 3.12 0.99 3.32 1.04 -0.05 -5.02 113.70 117.15 1ru1 s SER 37 Ca -0.08 1.02 -0.12 0.00 0.48 0.00 0.00 55.95 57.26 1ru1 s SER 37 Cb -0.14 -1.63 0.19 0.00 0.10 0.00 0.00 66.02 64.54 1ru1 s SER 37 CO 0.04 -2.80 1.08 -0.44 0.98 0.00 0.00 173.24 172.11 1ru1 s SER 38 N -3.83 2.47 -0.09 7.02 0.01 -1.26 -4.76 113.70 113.26 1ru1 s SER 38 Ca 0.65 1.67 -0.18 0.00 1.31 0.00 0.00 55.95 59.40 1ru1 s SER 38 Cb -0.16 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1ru1 s SER 38 CO 0.55 -3.30 0.48 -0.36 0.41 0.00 0.00 173.24 171.02 1ru1 s PHE 39 N -2.70 3.55 0.06 2.43 0.08 -1.26 -4.57 117.98 115.57 1ru1 s PHE 39 Ca 0.66 0.93 0.08 0.00 0.12 0.00 0.00 56.93 58.72 1ru1 s PHE 39 Cb -0.22 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.67 1ru1 s PHE 39 CO 0.60 0.24 -0.21 0.71 -0.10 0.00 0.00 175.22 176.46 1ru1 s TYR 40 N 0.36 2.48 -0.33 0.36 1.51 -0.42 -0.17 117.35 121.14 1ru1 s TYR 40 Ca 0.26 -0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 55.90 1ru1 s TYR 40 Cb -0.16 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1ru1 s TYR 40 CO 0.11 0.26 0.22 0.50 -1.11 0.00 0.00 175.55 175.52 1ru1 s ARG 41 N -1.57 3.45 -0.01 -0.62 3.52 0.88 -1.41 118.95 123.20 1ru1 s ARG 41 Ca 0.14 -0.66 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 1ru1 s ARG 41 Cb -0.10 -3.74 -0.01 0.00 -1.56 0.00 0.00 34.95 29.54 1ru1 s ARG 41 CO 0.05 -0.43 -0.16 0.95 -0.81 0.00 0.00 175.30 174.90 1ru1 s THR 42 N 1.69 1.26 0.53 4.11 -4.23 0.16 -4.24 115.64 114.92 1ru1 s THR 42 Ca 0.06 -0.68 -0.22 0.00 -1.18 0.00 0.00 61.69 59.66 1ru1 s THR 42 Cb -0.17 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1ru1 s THR 42 CO 0.09 0.35 1.30 -2.84 -0.54 0.00 0.00 174.62 172.98 1ru1 s PRO 43 N -0.38 3.27 0.00 3.99 0.02 -1.26 -0.43 135.00 140.21 1ru1 s PRO 43 Ca 0.06 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1ru1 s PRO 43 Cb -0.06 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1ru1 s PRO 43 CO -0.01 -1.04 0.00 -2.30 -0.33 0.00 0.00 177.00 173.32 1ru1 n PRO 44 N -0.94 0.00 -0.50 5.54 -0.02 -1.26 -4.78 135.00 133.04 1ru1 n PRO 44 Ca 0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 1ru1 n PRO 44 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.95 1ru1 n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ru1 n PRO 51 N 0.00 0.00 -1.29 0.52 -0.05 -1.26 -5.07 135.00 127.85 1ru1 n PRO 51 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 63.50 63.12 1ru1 n PRO 51 Cb 0.00 -0.58 0.10 0.00 -0.05 0.00 0.00 33.50 32.97 1ru1 n PRO 51 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1ru1 s ASP 52 N -0.58 4.14 0.06 3.54 1.01 -1.26 -5.01 116.67 118.56 1ru1 s ASP 52 Ca 0.09 2.14 -0.06 0.00 0.71 0.00 0.00 52.55 55.43 1ru1 s ASP 52 Cb 0.03 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1ru1 s ASP 52 CO 0.16 -2.29 0.31 -0.31 0.21 0.00 0.00 175.17 173.25 1ru1 s TYR 53 N -2.40 3.54 -0.19 4.23 1.51 0.43 -4.53 117.35 119.94 1ru1 s TYR 53 Ca 0.68 0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 57.15 1ru1 s TYR 53 Cb -0.23 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1ru1 s TYR 53 CO 0.50 0.55 0.36 -1.17 -1.11 0.00 0.00 175.55 174.68 1ru1 s LEU 54 N -2.10 4.17 0.03 -1.29 0.20 0.26 0.40 118.68 120.35 1ru1 s LEU 54 Ca 0.33 0.49 0.06 0.00 0.69 0.00 0.00 54.13 55.70 1ru1 s LEU 54 Cb -0.13 -2.46 -0.02 0.00 -0.43 0.00 0.00 46.19 43.14 1ru1 s LEU 54 CO 0.20 -0.03 -0.17 0.20 -0.29 0.00 0.00 176.35 176.25 1ru1 s ASN 55 N 0.94 2.07 0.09 3.68 -0.87 -0.50 -1.58 114.94 118.76 1ru1 s ASN 55 Ca 0.18 -0.45 -0.14 0.00 -1.57 0.00 0.00 52.86 50.87 1ru1 s ASN 55 Cb -0.14 -0.17 0.02 0.00 -0.02 0.00 0.00 41.25 40.94 1ru1 s ASN 55 CO 0.07 0.12 0.34 0.00 -2.57 0.00 0.00 177.10 175.06 1ru1 s ALA 56 N -0.74 -0.74 0.05 0.60 0.00 -0.76 -1.30 121.76 118.87 1ru1 s ALA 56 Ca 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 51.99 1ru1 s ALA 56 Cb -0.08 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1ru1 s ALA 56 CO 0.01 -0.54 -0.25 0.00 0.00 0.00 0.00 175.76 174.98 1ru1 s ALA 57 N -3.38 2.34 -0.08 0.00 0.00 -1.26 -0.73 121.76 118.65 1ru1 s ALA 57 Ca 0.01 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1ru1 s ALA 57 Cb 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1ru1 s ALA 57 CO -0.09 0.54 -0.17 0.08 0.00 0.00 0.00 175.76 176.13 1ru1 s VAL 58 N -0.85 1.49 -0.27 0.00 1.01 -0.02 -0.87 120.40 120.90 1ru1 s VAL 58 Ca 0.12 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1ru1 s VAL 58 Cb -0.10 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1ru1 s VAL 58 CO 0.03 0.43 0.46 0.00 0.00 0.00 0.00 175.10 176.02 1ru1 s ALA 59 N 0.54 3.57 -0.22 5.51 0.00 0.03 -0.54 121.76 130.65 1ru1 s ALA 59 Ca -0.16 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1ru1 s ALA 59 Cb -0.17 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1ru1 s ALA 59 CO 0.06 -0.75 -0.15 -1.17 0.00 0.00 0.00 175.76 173.75 1ru1 s LEU 60 N 2.22 2.83 0.08 0.00 2.96 -0.03 -0.22 118.68 126.53 1ru1 s LEU 60 Ca 0.18 -1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 52.74 1ru1 s LEU 60 Cb -0.16 -1.52 -0.06 0.00 0.50 0.00 0.00 46.19 44.96 1ru1 s LEU 60 CO 0.10 -0.10 1.17 -0.70 -1.32 0.00 0.00 176.35 175.49 1ru1 s GLU 61 N 1.19 4.47 -0.05 1.98 2.56 -0.05 -1.07 118.70 127.73 1ru1 s GLU 61 Ca -0.02 1.75 -0.14 0.00 0.00 0.00 0.00 54.97 56.55 1ru1 s GLU 61 Cb -0.17 -3.33 0.03 0.00 2.00 0.00 0.00 34.13 32.65 1ru1 s GLU 61 CO -0.09 -0.18 0.32 -0.08 -0.56 0.00 0.00 175.26 174.68 1ru1 s THR 62 N 0.77 0.04 -1.80 -1.70 -1.32 0.20 -0.94 115.64 110.88 1ru1 s THR 62 Ca 0.56 -0.31 0.23 0.00 -1.21 0.00 0.00 61.69 60.96 1ru1 s THR 62 Cb -0.29 -0.57 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 1ru1 s THR 62 CO 0.31 -0.17 1.09 -1.20 -2.21 0.00 0.00 174.62 172.43 1ru1 n SER 63 N 1.81 1.74 -4.77 8.08 7.64 -0.10 -0.21 113.62 127.81 1ru1 n SER 63 Ca -0.19 -1.35 -0.34 0.00 1.01 0.00 0.00 58.87 58.00 1ru1 n SER 63 Cb 0.57 0.55 0.04 0.00 -1.01 0.00 0.00 64.21 64.36 1ru1 n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ru1 s LEU 64 N -2.59 3.47 0.65 -3.43 1.43 -1.26 -5.01 118.68 111.94 1ru1 s LEU 64 Ca 0.17 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.18 1ru1 s LEU 64 Cb 0.18 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.83 1ru1 s LEU 64 CO 0.63 -1.59 1.13 0.00 0.23 0.00 0.00 176.35 176.75 1ru1 s ALA 65 N -2.17 2.45 0.19 4.21 0.00 -1.26 -4.83 121.76 120.34 1ru1 s ALA 65 Ca 0.69 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 1ru1 s ALA 65 Cb -0.22 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 19.76 1ru1 s ALA 65 CO 0.38 -1.30 1.71 -1.35 0.00 0.00 0.00 175.76 175.21 1ru1 h PRO 66 N 0.17 0.21 0.00 0.00 0.11 -1.99 -0.52 132.00 129.97 1ru1 h PRO 66 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1ru1 h PRO 66 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ru1 h PRO 66 CO 0.54 0.14 -0.22 1.05 -0.21 0.00 0.00 178.00 179.29 1ru1 h GLU 67 N 0.21 0.00 -0.38 1.05 9.09 -1.99 -0.59 114.58 121.97 1ru1 h GLU 67 Ca 0.26 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.53 1ru1 h GLU 67 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.46 1ru1 h GLU 67 CO -0.36 0.22 -0.31 0.93 0.05 0.00 0.00 179.01 179.54 1ru1 h GLU 68 N 0.00 0.89 -0.85 1.06 5.08 -1.56 -1.14 114.58 118.05 1ru1 h GLU 68 Ca -0.00 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1ru1 h GLU 68 Cb 0.74 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1ru1 h GLU 68 CO 0.03 1.09 0.45 1.25 -1.00 0.00 0.00 179.01 180.83 1ru1 h LEU 69 N 0.70 1.08 -0.83 1.33 5.85 -0.54 -2.67 115.31 120.23 1ru1 h LEU 69 Ca 0.07 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ru1 h LEU 69 Cb 0.89 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1ru1 h LEU 69 CO 0.08 0.88 0.53 0.25 -0.34 0.00 0.00 178.44 179.84 1ru1 h LEU 70 N 1.20 0.97 -0.75 2.25 5.85 -0.88 -0.31 115.31 123.62 1ru1 h LEU 70 Ca 0.30 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1ru1 h LEU 70 Cb 0.05 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1ru1 h LEU 70 CO -0.05 0.72 0.43 0.78 -0.34 0.00 0.00 178.44 179.98 1ru1 h ASN 71 N 1.13 0.64 -0.25 1.25 2.35 -0.88 -0.05 115.58 119.76 1ru1 h ASN 71 Ca 0.30 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1ru1 h ASN 71 Cb -0.10 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1ru1 h ASN 71 CO -0.06 0.40 -0.00 0.45 -1.65 0.00 0.00 177.43 176.56 1ru1 h HIS 72 N 0.77 0.49 -0.45 1.19 3.86 -1.07 -0.90 115.15 119.04 1ru1 h HIS 72 Ca 0.34 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.39 1ru1 h HIS 72 Cb 0.24 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1ru1 h HIS 72 CO -0.07 0.62 -0.03 1.79 0.86 0.00 0.00 177.93 181.10 1ru1 h THR 73 N 0.23 1.24 -0.36 2.45 1.35 -0.73 -0.40 112.91 116.69 1ru1 h THR 73 Ca 0.07 -1.02 -0.13 0.00 -0.55 0.00 0.00 66.41 64.78 1ru1 h THR 73 Cb 0.42 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1ru1 h THR 73 CO 0.01 0.35 -0.30 1.56 -0.25 0.00 0.00 175.52 176.90 1ru1 h GLN 74 N 0.70 0.76 -0.44 4.72 4.20 -0.90 -1.20 115.11 122.96 1ru1 h GLN 74 Ca 0.13 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.51 1ru1 h GLN 74 Cb 0.47 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1ru1 h GLN 74 CO 0.02 0.96 0.28 -0.09 -0.67 0.00 0.00 178.83 179.33 1ru1 h ARG 75 N 0.65 0.56 -0.56 1.46 2.43 -0.80 -2.29 114.38 115.83 1ru1 h ARG 75 Ca 0.08 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1ru1 h ARG 75 Cb 0.82 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1ru1 h ARG 75 CO 0.07 0.37 -0.03 0.82 -1.51 0.00 0.00 179.97 179.69 1ru1 h ILE 76 N 0.57 1.26 -0.93 1.20 2.04 -0.76 0.35 117.51 121.24 1ru1 h ILE 76 Ca 0.17 -1.15 0.10 0.00 1.00 0.00 0.00 64.86 64.98 1ru1 h ILE 76 Cb -0.04 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1ru1 h ILE 76 CO -0.05 0.41 0.57 -0.33 0.00 0.00 0.00 178.15 178.75 1ru1 h GLU 77 N 0.90 0.91 -0.14 2.37 5.08 -1.03 0.23 114.58 122.91 1ru1 h GLU 77 Ca 0.16 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1ru1 h GLU 77 Cb 0.56 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1ru1 h GLU 77 CO 0.03 0.60 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.84 1ru1 h LEU 78 N 0.94 0.89 -0.06 1.33 3.38 -0.80 0.34 115.31 121.32 1ru1 h LEU 78 Ca 0.45 -0.64 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1ru1 h LEU 78 Cb 0.39 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ru1 h LEU 78 CO -0.24 1.38 -0.45 1.56 0.09 0.00 0.00 178.44 180.78 1ru1 h GLN 79 N 0.45 0.41 0.00 1.13 4.20 -0.59 -3.29 115.11 117.42 1ru1 h GLN 79 Ca -0.05 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1ru1 h GLN 79 Cb 1.38 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1ru1 h GLN 79 CO 0.15 1.01 -0.75 1.04 -0.67 0.00 0.00 178.83 179.61 1ru1 n GLN 80 N -4.31 0.13 -0.69 1.46 1.13 0.79 -4.88 117.38 111.00 1ru1 n GLN 80 Ca -0.09 0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.70 1ru1 n GLN 80 Cb 0.58 -1.56 0.22 0.00 0.11 0.00 0.00 30.24 29.59 1ru1 n GLN 80 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ru1 s GLY 81 N -3.31 1.57 -0.06 1.08 0.00 0.12 -4.99 107.32 101.73 1ru1 s GLY 81 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.68 1ru1 s GLY 81 CO 0.76 0.58 -0.08 0.54 0.00 0.00 0.00 173.10 174.90 1ru1 n ARG 82 N -4.68 0.20 -1.57 2.90 1.74 -1.26 -4.95 116.66 109.03 1ru1 n ARG 82 Ca 0.05 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1ru1 n ARG 82 Cb 0.54 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1ru1 n ARG 82 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ru1 n ARG 92 N -3.29 -0.76 0.00 5.56 0.00 -1.26 -5.19 116.66 111.72 1ru1 n ARG 92 Ca -0.03 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 1ru1 n ARG 92 Cb 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 32.46 31.55 1ru1 n ARG 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1ru1 n THR 93 N 0.89 0.00 -2.74 5.15 -1.04 -1.26 -5.14 114.28 110.13 1ru1 n THR 93 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1ru1 n THR 93 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1ru1 n THR 93 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ru1 s LEU 94 N 0.00 4.39 -0.07 -4.42 2.96 -1.26 -4.58 118.68 115.69 1ru1 s LEU 94 Ca 0.00 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 1ru1 s LEU 94 Cb 0.00 -3.94 0.02 0.00 0.50 0.00 0.00 46.19 42.77 1ru1 s LEU 94 CO 0.00 -0.06 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.30 1ru1 s ASP 95 N -1.50 1.54 -0.33 3.68 2.15 0.13 -4.94 116.67 117.41 1ru1 s ASP 95 Ca 0.49 -0.18 0.03 0.00 0.43 0.00 0.00 52.55 53.32 1ru1 s ASP 95 Cb -0.21 -0.59 0.09 0.00 -0.30 0.00 0.00 42.92 41.92 1ru1 s ASP 95 CO 0.26 -0.10 0.04 -0.76 -0.17 0.00 0.00 175.17 174.44 1ru1 s LEU 96 N 1.40 4.55 -0.15 -1.34 1.43 -1.26 -0.92 118.68 122.40 1ru1 s LEU 96 Ca -0.03 -1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 51.05 1ru1 s LEU 96 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1ru1 s LEU 96 CO -0.03 -0.36 0.01 -1.81 0.23 0.00 0.00 176.35 174.39 1ru1 s ASP 97 N 1.04 5.22 -0.48 2.29 1.01 -0.52 -4.89 116.67 120.35 1ru1 s ASP 97 Ca 0.07 0.02 -0.27 0.00 0.71 0.00 0.00 52.55 53.08 1ru1 s ASP 97 Cb -0.20 -1.77 0.03 0.00 1.01 0.00 0.00 42.92 41.99 1ru1 s ASP 97 CO -0.07 0.23 1.06 -0.63 0.21 0.00 0.00 175.17 175.97 1ru1 s ILE 98 N 0.02 4.29 -0.10 0.77 1.01 -1.26 -0.26 121.20 125.67 1ru1 s ILE 98 Ca 0.03 0.97 -0.25 0.00 0.00 0.00 0.00 60.65 61.40 1ru1 s ILE 98 Cb -0.13 -4.55 -0.28 0.00 0.01 0.00 0.00 42.46 37.51 1ru1 s ILE 98 CO 0.02 -0.98 0.79 0.24 0.00 0.00 0.00 174.94 175.00 1ru1 h MET 99 N 9.21 0.14 -3.93 2.79 2.86 -0.87 -3.33 114.93 121.80 1ru1 h MET 99 Ca -0.24 -0.23 -0.20 0.00 -2.06 0.00 0.00 59.70 56.97 1ru1 h MET 99 Cb 1.07 0.09 -0.24 0.00 0.06 0.00 0.00 31.60 32.58 1ru1 h MET 99 CO 1.09 1.11 -0.71 -0.51 1.06 0.00 0.00 176.91 178.96 1ru1 s LEU 100 N -8.03 2.15 -0.34 1.22 1.43 -1.10 -1.59 118.68 112.43 1ru1 s LEU 100 Ca -0.17 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1ru1 s LEU 100 Cb -0.01 0.04 0.11 0.00 0.03 0.00 0.00 46.19 46.36 1ru1 s LEU 100 CO 0.75 -0.18 0.11 0.12 0.23 0.00 0.00 176.35 177.38 1ru1 s PHE 101 N -0.90 2.30 0.00 0.29 2.19 -1.26 -0.90 117.98 119.69 1ru1 s PHE 101 Ca -0.10 -2.19 0.00 0.00 0.33 0.00 0.00 56.93 54.98 1ru1 s PHE 101 Cb -0.06 -2.07 0.00 0.00 -1.31 0.00 0.00 43.02 39.58 1ru1 s PHE 101 CO -0.01 -0.88 0.00 0.41 1.83 0.00 0.00 175.22 176.58 1ru1 n GLY 102 N 4.47 2.83 1.25 13.12 0.00 0.04 -0.99 105.19 125.92 1ru1 n GLY 102 Ca 0.01 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1ru1 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ru1 n ASN 103 N 1.66 4.50 -4.79 1.61 5.15 -1.26 -4.98 115.26 117.15 1ru1 n ASN 103 Ca 0.00 -2.88 -0.35 0.00 -0.60 0.00 0.00 54.58 50.74 1ru1 n ASN 103 Cb 0.00 -0.57 -0.05 0.00 -0.53 0.00 0.00 39.78 38.62 1ru1 n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ru1 s GLU 104 N -2.62 4.21 -0.25 1.20 2.02 -0.16 -4.68 118.70 118.42 1ru1 s GLU 104 Ca 0.46 1.34 -0.08 0.00 0.02 0.00 0.00 54.97 56.71 1ru1 s GLU 104 Cb 0.35 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1ru1 s GLU 104 CO 0.13 -0.07 0.10 0.08 0.02 0.00 0.00 175.26 175.52 1ru1 s VAL 105 N -1.85 4.62 -0.10 2.63 1.01 -1.26 -4.32 120.40 121.13 1ru1 s VAL 105 Ca 0.59 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1ru1 s VAL 105 Cb -0.17 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1ru1 s VAL 105 CO 0.21 0.32 -0.19 -0.63 0.00 0.00 0.00 175.10 174.82 1ru1 s ILE 106 N 1.57 1.72 -0.45 2.22 1.01 0.36 -4.98 121.20 122.65 1ru1 s ILE 106 Ca 0.06 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1ru1 s ILE 106 Cb -0.15 -1.53 0.21 0.00 0.01 0.00 0.00 42.46 41.00 1ru1 s ILE 106 CO 0.05 0.49 0.46 0.59 0.00 0.00 0.00 174.94 176.53 1ru1 n ASN 107 N 3.81 0.48 -4.78 3.58 3.02 -1.24 -0.75 115.26 119.38 1ru1 n ASN 107 Ca -0.20 -2.67 -0.29 0.00 -0.03 0.00 0.00 54.58 51.39 1ru1 n ASN 107 Cb 0.52 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1ru1 n ASN 107 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ru1 s THR 108 N -0.77 1.60 0.24 3.41 -4.23 0.07 -5.02 115.64 110.95 1ru1 s THR 108 Ca 0.33 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1ru1 s THR 108 Cb 0.09 -2.41 0.21 0.00 1.34 0.00 0.00 72.50 71.73 1ru1 s THR 108 CO -0.15 0.00 1.83 -0.33 -0.54 0.00 0.00 174.62 175.43 1ru1 h GLU 109 N 1.26 0.84 0.00 3.99 3.07 -2.06 -3.15 114.58 118.53 1ru1 h GLU 109 Ca -0.42 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.31 1ru1 h GLU 109 Cb 1.29 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1ru1 h GLU 109 CO 0.70 0.56 -0.80 0.00 -1.40 0.00 0.00 179.01 178.06 1ru1 h ARG 110 N 0.87 0.00 -3.15 2.33 3.08 -2.02 -3.47 114.38 112.02 1ru1 h ARG 110 Ca 0.39 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.16 1ru1 h ARG 110 Cb 0.28 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.99 1ru1 h ARG 110 CO -0.21 0.25 -0.62 -1.17 -1.07 0.00 0.00 179.97 177.14 1ru1 s LEU 111 N -5.98 0.24 -0.27 3.04 2.96 -1.19 -5.10 118.68 112.39 1ru1 s LEU 111 Ca 0.01 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1ru1 s LEU 111 Cb 0.08 0.32 0.05 0.00 0.50 0.00 0.00 46.19 47.14 1ru1 s LEU 111 CO 0.76 -0.21 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.62 1ru1 s THR 112 N 1.84 2.45 -0.06 3.68 2.01 -1.26 -0.75 115.64 123.55 1ru1 s THR 112 Ca -0.02 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.49 1ru1 s THR 112 Cb -0.12 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.01 1ru1 s THR 112 CO -0.06 -0.01 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.13 1ru1 s VAL 113 N 1.17 0.59 0.75 3.82 1.01 0.07 -3.77 120.40 124.04 1ru1 s VAL 113 Ca -0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1ru1 s VAL 113 Cb -0.19 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.60 1ru1 s VAL 113 CO -0.04 0.26 1.21 -2.65 0.00 0.00 0.00 175.10 173.88 1ru1 n PRO 114 N 4.40 0.50 -1.62 2.72 -0.02 -1.26 -0.49 135.00 139.23 1ru1 n PRO 114 Ca -0.19 0.24 -0.49 0.00 -2.02 0.00 0.00 63.50 61.04 1ru1 n PRO 114 Cb 0.51 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 1ru1 n PRO 114 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1ru1 n HIS 115 N -2.81 1.76 0.33 6.00 -0.00 -0.62 -4.82 115.22 115.06 1ru1 n HIS 115 Ca 0.14 0.52 0.19 0.00 -0.00 0.00 0.00 57.72 58.57 1ru1 n HIS 115 Cb 0.50 -2.40 1.00 0.00 -0.00 0.00 0.00 29.99 29.09 1ru1 n HIS 115 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1ru1 h TYR 116 N 4.77 0.00 0.00 1.57 -0.00 -1.93 -3.04 116.97 118.34 1ru1 h TYR 116 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 1ru1 h TYR 116 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.04 1ru1 h TYR 116 CO 0.60 0.00 0.00 -3.47 -0.00 0.00 0.00 178.16 175.29 1ru1 n ASP 117 N -3.03 0.40 -0.21 0.10 2.03 -1.26 -4.88 116.55 109.70 1ru1 n ASP 117 Ca -0.02 -0.75 0.19 0.00 0.52 0.00 0.00 54.79 54.74 1ru1 n ASP 117 Cb 0.24 0.24 0.54 0.00 -0.72 0.00 0.00 41.12 41.42 1ru1 n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ru1 h MET 118 N 0.00 0.33 0.00 -0.67 -0.00 -1.91 -0.19 114.93 112.50 1ru1 h MET 118 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1ru1 h MET 118 Cb 0.11 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1ru1 h MET 118 CO 0.00 0.22 0.00 0.87 -0.00 0.00 0.00 176.91 178.00 1ru1 h LYS 119 N 0.34 0.00 -0.42 -0.10 1.57 -1.90 -1.44 116.57 114.62 1ru1 h LYS 119 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1ru1 h LYS 119 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1ru1 h LYS 119 CO -0.14 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.83 1ru1 n ASN 120 N -2.32 3.08 -3.89 0.86 3.02 -0.08 -4.89 115.26 111.04 1ru1 n ASN 120 Ca 0.01 -1.95 -0.30 0.00 -0.03 0.00 0.00 54.58 52.32 1ru1 n ASN 120 Cb 0.20 -0.28 -0.15 0.00 -0.61 0.00 0.00 39.78 38.94 1ru1 n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ru1 s ARG 121 N -1.45 1.28 0.44 3.52 0.52 -0.54 -4.98 118.95 117.74 1ru1 s ARG 121 Ca 0.38 -1.15 0.17 0.00 -0.52 0.00 0.00 55.73 54.61 1ru1 s ARG 121 Cb 0.21 -2.52 1.11 0.00 0.52 0.00 0.00 34.95 34.28 1ru1 s ARG 121 CO 0.29 -0.78 1.93 0.78 0.02 0.00 0.00 175.30 177.55 1ru1 h GLY 122 N 7.94 0.58 2.00 -3.53 0.00 -1.90 -0.64 103.07 107.52 1ru1 h GLY 122 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ru1 h GLY 122 CO 0.44 0.05 0.00 0.27 0.00 0.00 0.00 176.54 177.31 1ru1 h PHE 123 N 0.34 0.00 0.08 5.60 -5.15 -1.93 -0.97 116.94 114.92 1ru1 h PHE 123 Ca 0.35 0.00 -0.37 0.00 -0.20 0.00 0.00 57.97 57.75 1ru1 h PHE 123 Cb 0.87 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.01 1ru1 h PHE 123 CO -0.00 0.00 -2.15 -1.33 -2.00 0.00 0.00 178.31 172.83 1ru1 n MET 124 N -2.74 0.72 0.07 6.09 2.81 -0.33 -4.52 117.12 119.22 1ru1 n MET 124 Ca 0.01 0.23 -0.21 0.00 -1.81 0.00 0.00 57.70 55.92 1ru1 n MET 124 Cb 0.28 -1.65 -0.12 0.00 -0.71 0.00 0.00 33.22 31.03 1ru1 n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1ru1 h LEU 125 N 0.02 0.88 -0.15 4.03 3.38 -1.10 -2.96 115.31 119.42 1ru1 h LEU 125 Ca -0.48 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 56.71 1ru1 h LEU 125 Cb 1.97 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1ru1 h LEU 125 CO 0.02 1.57 0.05 -0.50 0.09 0.00 0.00 178.44 179.67 1ru1 h TRP 126 N 0.32 0.23 -0.37 1.13 4.06 -1.43 0.28 115.95 120.16 1ru1 h TRP 126 Ca -0.16 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 1ru1 h TRP 126 Cb 1.83 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.90 1ru1 h TRP 126 CO 0.11 0.32 -0.00 -1.35 -3.56 0.00 0.00 178.44 173.96 1ru1 h PRO 127 N 0.07 0.59 -0.45 0.49 0.11 -1.78 -2.02 132.00 129.01 1ru1 h PRO 127 Ca 0.05 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1ru1 h PRO 127 Cb 0.19 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1ru1 h PRO 127 CO -0.00 0.62 0.24 1.25 -0.21 0.00 0.00 178.00 179.89 1ru1 h LEU 128 N 0.56 0.57 -1.94 2.35 5.85 -1.28 -2.82 115.31 118.60 1ru1 h LEU 128 Ca 0.12 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ru1 h LEU 128 Cb 0.36 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ru1 h LEU 128 CO 0.01 0.51 -0.03 0.15 -0.34 0.00 0.00 178.44 178.74 1ru1 h PHE 129 N 0.59 0.00 -0.58 1.25 3.57 -0.08 0.21 116.94 121.89 1ru1 h PHE 129 Ca 0.16 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1ru1 h PHE 129 Cb 0.07 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1ru1 h PHE 129 CO -0.02 0.03 0.16 1.49 -2.23 0.00 0.00 178.31 177.74 1ru1 h GLU 130 N 0.00 0.89 0.00 1.11 4.81 -1.11 -2.55 114.58 117.73 1ru1 h GLU 130 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1ru1 h GLU 130 Cb 0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1ru1 h GLU 130 CO 0.00 0.79 -1.25 0.44 -0.73 0.00 0.00 179.01 178.26 1ru1 n ILE 131 N -4.27 0.00 -3.10 2.32 -5.35 -0.85 -4.65 119.36 103.46 1ru1 n ILE 131 Ca 0.04 -0.22 -0.17 0.00 -0.27 0.00 0.00 62.75 62.13 1ru1 n ILE 131 Cb 0.22 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 1ru1 n ILE 131 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ru1 n ALA 132 N -1.71 1.49 0.25 -1.28 0.00 0.67 -4.99 120.51 114.94 1ru1 n ALA 132 Ca 0.01 -3.01 0.17 0.00 0.00 0.00 0.00 53.44 50.61 1ru1 n ALA 132 Cb 0.36 -0.96 0.90 0.00 0.00 0.00 0.00 19.45 19.74 1ru1 n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ru1 h PRO 133 N 3.26 0.00 -0.58 0.00 0.13 -1.65 -2.02 132.00 131.14 1ru1 h PRO 133 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ru1 h PRO 133 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1ru1 h PRO 133 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 1ru1 n GLU 134 N -3.70 2.43 -1.78 0.86 -0.58 -1.26 -4.35 120.64 112.27 1ru1 n GLU 134 Ca -0.01 -2.22 -0.41 0.00 -0.42 0.00 0.00 57.16 54.10 1ru1 n GLU 134 Cb 0.22 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.59 1ru1 n GLU 134 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ru1 s LEU 135 N -1.09 4.34 -0.17 -4.62 2.96 -0.76 -4.90 118.68 114.44 1ru1 s LEU 135 Ca 0.41 2.98 0.01 0.00 -0.22 0.00 0.00 54.13 57.31 1ru1 s LEU 135 Cb 0.22 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.28 1ru1 s LEU 135 CO 0.29 -0.91 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.54 1ru1 s VAL 136 N -0.26 2.30 0.83 1.68 1.01 -1.26 -1.63 120.40 123.07 1ru1 s VAL 136 Ca 0.61 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1ru1 s VAL 136 Cb -0.48 -1.96 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1ru1 s VAL 136 CO 0.52 0.53 1.10 -0.36 0.00 0.00 0.00 175.10 176.88 1ru1 s PHE 137 N 1.08 2.36 0.48 5.22 0.40 0.11 -4.90 117.98 122.72 1ru1 s PHE 137 Ca -0.00 1.51 0.21 0.00 -0.60 0.00 0.00 56.93 58.05 1ru1 s PHE 137 Cb -0.14 -3.12 1.24 0.00 0.51 0.00 0.00 43.02 41.52 1ru1 s PHE 137 CO -0.06 -2.12 1.96 -1.35 0.70 0.00 0.00 175.22 174.34 1ru1 h PRO 138 N -1.37 0.18 -0.00 0.24 0.11 -1.88 -0.34 132.00 128.95 1ru1 h PRO 138 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ru1 h PRO 138 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ru1 h PRO 138 CO 0.51 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1ru1 n ASP 139 N -4.42 0.35 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.03 1ru1 n ASP 139 Ca 0.12 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1ru1 n ASP 139 Cb 0.59 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1ru1 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ru1 n GLY 140 N 1.03 0.50 3.76 6.12 0.00 -0.14 -5.06 105.19 111.40 1ru1 n GLY 140 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1ru1 n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ru1 s GLU 141 N -0.85 2.99 -0.18 1.61 2.02 -1.26 -4.69 118.70 118.35 1ru1 s GLU 141 Ca 0.00 1.78 -0.06 0.00 0.02 0.00 0.00 54.97 56.71 1ru1 s GLU 141 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 1ru1 s GLU 141 CO 0.00 -1.17 0.03 -1.64 0.02 0.00 0.00 175.26 172.49 1ru1 s MET 142 N -3.37 3.82 0.16 1.61 -1.94 -1.26 0.04 119.30 118.36 1ru1 s MET 142 Ca 0.76 -0.43 -0.16 0.00 -1.71 0.00 0.00 55.69 54.16 1ru1 s MET 142 Cb -0.29 -3.12 0.07 0.00 2.01 0.00 0.00 34.83 33.51 1ru1 s MET 142 CO 0.33 0.20 1.75 1.25 -0.01 0.00 0.00 175.02 178.54 1ru1 h LEU 143 N 6.89 0.12 -1.55 -0.03 5.85 -1.62 -1.45 115.31 123.52 1ru1 h LEU 143 Ca -0.35 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.53 1ru1 h LEU 143 Cb 1.18 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1ru1 h LEU 143 CO 0.66 0.11 0.46 0.08 -0.34 0.00 0.00 178.44 179.41 1ru1 h ARG 144 N 0.27 0.47 -0.17 1.25 0.11 -1.81 -1.81 114.38 112.69 1ru1 h ARG 144 Ca 0.17 -0.03 -0.15 0.00 0.10 0.00 0.00 59.98 60.07 1ru1 h ARG 144 Cb 0.15 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1ru1 h ARG 144 CO -0.18 0.31 -0.50 0.37 0.10 0.00 0.00 179.97 180.07 1ru1 h GLN 145 N 0.48 0.64 -0.77 0.08 5.75 -1.69 -1.90 115.11 117.70 1ru1 h GLN 145 Ca 0.33 -0.46 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1ru1 h GLN 145 Cb 0.62 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.21 1ru1 h GLN 145 CO -0.11 1.08 0.47 0.82 -2.65 0.00 0.00 178.83 178.44 1ru1 h ILE 146 N 0.32 1.22 -0.70 2.39 2.04 -0.83 0.98 117.51 122.93 1ru1 h ILE 146 Ca -0.01 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1ru1 h ILE 146 Cb 1.12 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1ru1 h ILE 146 CO 0.11 0.23 0.22 -0.07 0.00 0.00 0.00 178.15 178.64 1ru1 h LEU 147 N 1.06 1.01 -0.07 1.44 3.38 -1.27 0.06 115.31 120.92 1ru1 h LEU 147 Ca 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ru1 h LEU 147 Cb -0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1ru1 h LEU 147 CO -0.05 0.95 0.04 0.45 0.09 0.00 0.00 178.44 179.91 1ru1 h HIS 148 N 1.02 0.09 -0.37 1.13 3.86 -0.83 -1.36 115.15 118.70 1ru1 h HIS 148 Ca 0.23 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.28 1ru1 h HIS 148 Cb 0.29 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1ru1 h HIS 148 CO 0.02 0.13 -0.37 1.15 0.86 0.00 0.00 177.93 179.73 1ru1 h THR 149 N 0.02 1.28 0.00 2.45 2.02 -0.68 -2.66 112.91 115.35 1ru1 h THR 149 Ca 0.02 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1ru1 h THR 149 Cb 0.07 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1ru1 h THR 149 CO -0.00 0.51 0.00 0.03 0.37 0.00 0.00 175.52 176.43 1ru1 h ARG 150 N 0.70 0.00 -4.49 6.66 2.47 -1.05 -3.47 114.38 115.21 1ru1 h ARG 150 Ca 0.06 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.38 1ru1 h ARG 150 Cb 0.96 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.30 1ru1 h ARG 150 CO 0.09 0.00 -0.58 0.00 0.56 0.00 0.00 179.97 180.05 1ru1 n ALA 151 N -2.06 -0.95 -1.69 0.04 0.00 -0.51 -4.91 120.51 110.43 1ru1 n ALA 151 Ca 0.04 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1ru1 n ALA 151 Cb 0.48 -3.38 -0.03 0.00 0.00 0.00 0.00 19.45 16.52 1ru1 n ALA 151 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ru1 s PHE 152 N -3.09 2.09 0.29 0.00 0.08 -1.24 -4.93 117.98 111.19 1ru1 s PHE 152 Ca 0.28 -0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.96 1ru1 s PHE 152 Cb -0.13 -4.20 -0.13 0.00 -0.57 0.00 0.00 43.02 37.99 1ru1 s PHE 152 CO 0.34 -4.99 1.27 -0.25 -0.10 0.00 0.00 175.22 171.49 1ru1 n ASP 153 N 5.74 2.42 -4.70 1.36 8.00 -1.26 -4.92 116.55 123.20 1ru1 n ASP 153 Ca 0.18 1.18 -0.39 0.00 0.71 0.00 0.00 54.79 56.47 1ru1 n ASP 153 Cb 0.38 -1.42 0.03 0.00 -0.02 0.00 0.00 41.12 40.09 1ru1 n ASP 153 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ru1 n LYS 154 N 1.09 1.58 -2.21 -1.24 5.02 -1.26 -4.98 118.16 116.16 1ru1 n LYS 154 Ca 0.08 0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 56.65 1ru1 n LYS 154 Cb 0.33 -2.40 -0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1ru1 n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ru1 s LEU 155 N -2.41 3.43 0.10 -0.35 1.43 -1.26 -5.08 118.68 114.54 1ru1 s LEU 155 Ca 0.69 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 1ru1 s LEU 155 Cb -0.45 -4.29 -0.06 0.00 0.03 0.00 0.00 46.19 41.41 1ru1 s LEU 155 CO 0.52 -0.72 0.48 0.20 0.23 0.00 0.00 176.35 177.06 1ru1 s ASN 156 N -3.94 6.78 0.35 2.29 0.01 -1.26 -4.98 114.94 114.19 1ru1 s ASN 156 Ca 0.53 0.98 -0.26 0.00 -0.71 0.00 0.00 52.86 53.41 1ru1 s ASN 156 Cb -0.11 -2.25 -0.09 0.00 0.41 0.00 0.00 41.25 39.21 1ru1 s ASN 156 CO 0.47 0.17 1.05 -0.54 -1.51 0.00 0.00 177.10 176.74 1ru1 s LYS 157 N -1.76 4.37 0.00 -0.60 1.02 -1.26 -0.08 119.74 121.42 1ru1 s LYS 157 Ca 0.34 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1ru1 s LYS 157 Cb -0.15 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1ru1 s LYS 157 CO 0.18 0.03 0.25 1.87 -0.92 0.00 0.00 175.35 176.76