#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rum s VAL 2 N 0.00 3.67 -0.10 2.53 1.01 -1.26 -5.01 120.40 121.23 1rum s VAL 2 Ca 0.00 1.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.80 1rum s VAL 2 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1rum s VAL 2 CO 0.00 -0.02 0.54 -0.69 0.00 0.00 0.00 175.10 174.93 1rum s VAL 3 N 2.69 5.15 -0.27 2.92 1.01 -1.26 -4.78 120.40 125.86 1rum s VAL 3 Ca 0.65 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 1rum s VAL 3 Cb -0.32 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1rum s VAL 3 CO 0.27 0.30 -0.00 -0.04 0.00 0.00 0.00 175.10 175.63 1rum s MET 4 N 0.68 2.93 -0.24 2.72 -1.94 -1.26 -1.15 119.30 121.05 1rum s MET 4 Ca 0.29 -0.93 -0.04 0.00 -1.71 0.00 0.00 55.69 53.30 1rum s MET 4 Cb -0.16 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.53 1rum s MET 4 CO 0.12 -0.42 -0.03 0.99 -0.01 0.00 0.00 175.02 175.67 1rum s THR 5 N 1.40 3.32 0.02 2.05 2.01 -0.29 -3.90 115.64 120.26 1rum s THR 5 Ca 0.01 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1rum s THR 5 Cb -0.17 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1rum s THR 5 CO -0.01 0.33 0.10 -1.10 -0.69 0.00 0.00 174.62 173.24 1rum s GLN 6 N 1.45 3.06 -0.04 4.92 -0.21 -1.26 -0.99 119.66 126.59 1rum s GLN 6 Ca 0.04 -0.53 -0.11 0.00 0.02 0.00 0.00 55.36 54.78 1rum s GLN 6 Cb -0.15 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.03 1rum s GLN 6 CO -0.03 0.62 0.26 -1.54 -2.12 0.00 0.00 175.29 172.48 1rum s SER 7 N -2.00 -0.17 0.89 5.90 1.04 -0.54 -4.54 113.70 114.29 1rum s SER 7 Ca 0.26 0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 1rum s SER 7 Cb -0.12 0.38 0.14 0.00 0.10 0.00 0.00 66.02 66.51 1rum s SER 7 CO 0.18 -0.31 1.24 -2.16 0.98 0.00 0.00 173.24 173.16 1rum s PRO 8 N -0.83 1.28 0.16 4.02 0.04 -1.26 -0.67 135.00 137.74 1rum s PRO 8 Ca -0.09 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 60.75 1rum s PRO 8 Cb -0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1rum s PRO 8 CO 0.02 -2.03 1.54 0.87 0.04 0.00 0.00 177.00 177.45 1rum h LYS 9 N -1.37 1.00 -4.18 4.56 1.57 -1.86 -3.42 116.57 112.86 1rum h LYS 9 Ca -0.46 -0.43 -0.19 0.00 -1.87 0.00 0.00 60.65 57.71 1rum h LYS 9 Cb 1.29 -0.03 -0.20 0.00 0.08 0.00 0.00 32.23 33.37 1rum h LYS 9 CO 0.53 1.11 -0.70 0.95 -0.57 0.00 0.00 179.45 180.77 1rum s THR 10 N -4.66 0.25 0.02 -0.16 -4.23 -1.26 -1.29 115.64 104.30 1rum s THR 10 Ca -0.11 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1rum s THR 10 Cb 0.12 -0.62 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 1rum s THR 10 CO 0.87 -0.58 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.83 1rum s ILE 11 N -1.97 0.18 -0.19 2.99 2.07 -0.03 -4.91 121.20 119.33 1rum s ILE 11 Ca -0.09 -0.61 0.01 0.00 -1.41 0.00 0.00 60.65 58.55 1rum s ILE 11 Cb -0.06 -0.25 0.04 0.00 0.13 0.00 0.00 42.46 42.31 1rum s ILE 11 CO -0.02 -0.28 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.16 1rum s SER 12 N -0.92 3.33 -0.01 4.50 0.01 -1.26 -0.22 113.70 119.12 1rum s SER 12 Ca -0.09 -0.82 0.04 0.00 1.31 0.00 0.00 55.95 56.39 1rum s SER 12 Cb -0.06 -1.32 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 1rum s SER 12 CO -0.00 -0.10 -0.12 -0.69 0.41 0.00 0.00 173.24 172.73 1rum s VAL 13 N 1.35 0.99 0.30 3.43 1.01 -0.05 -4.78 120.40 122.65 1rum s VAL 13 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 1rum s VAL 13 Cb -0.15 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.30 1rum s VAL 13 CO -0.09 0.28 0.91 -0.89 0.00 0.00 0.00 175.10 175.31 1rum s THR 14 N -0.20 4.24 0.15 3.92 2.01 -1.26 -0.94 115.64 123.57 1rum s THR 14 Ca 0.03 1.78 -0.34 0.00 0.31 0.00 0.00 61.69 63.47 1rum s THR 14 Cb -0.06 -4.03 -0.15 0.00 0.01 0.00 0.00 72.50 68.27 1rum s THR 14 CO -0.00 0.20 1.40 -0.38 -0.69 0.00 0.00 174.62 175.15 1rum n ILE 15 N 0.71 0.30 0.00 1.82 5.41 -1.26 -1.76 119.36 124.58 1rum n ILE 15 Ca 0.01 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1rum n ILE 15 Cb 0.50 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 1rum n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rum n GLY 16 N 2.69 0.67 3.94 7.39 0.00 0.35 -4.93 105.19 115.31 1rum n GLY 16 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1rum n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rum s GLN 17 N -0.83 3.38 0.64 1.61 -1.52 -0.72 -4.52 119.66 117.71 1rum s GLN 17 Ca 0.00 -0.35 -0.11 0.00 -1.95 0.00 0.00 55.36 52.95 1rum s GLN 17 Cb 0.00 -2.62 -0.03 0.00 -0.22 0.00 0.00 33.01 30.14 1rum s GLN 17 CO 0.00 0.03 1.04 -1.25 -0.25 0.00 0.00 175.29 174.86 1rum s PRO 18 N -4.40 3.42 0.03 2.91 0.04 -1.24 -0.40 135.00 135.36 1rum s PRO 18 Ca 0.42 0.72 0.02 0.00 0.04 0.00 0.00 61.00 62.20 1rum s PRO 18 Cb -0.10 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1rum s PRO 18 CO 0.37 -0.69 -0.06 0.00 0.04 0.00 0.00 177.00 176.65 1rum s ALA 19 N -3.20 0.47 -0.05 8.56 0.00 -0.57 -4.88 121.76 122.10 1rum s ALA 19 Ca 0.56 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 1rum s ALA 19 Cb -0.11 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1rum s ALA 19 CO 0.54 -0.01 0.11 0.45 0.00 0.00 0.00 175.76 176.85 1rum s SER 20 N -1.22 -0.09 0.05 0.00 0.15 -1.26 -0.56 113.70 110.77 1rum s SER 20 Ca -0.08 0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.84 1rum s SER 20 Cb -0.08 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 1rum s SER 20 CO 0.00 -0.08 -0.14 -0.63 1.20 0.00 0.00 173.24 173.60 1rum s ILE 21 N 0.47 1.08 0.02 6.45 1.01 0.27 -4.79 121.20 125.72 1rum s ILE 21 Ca -0.03 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 59.58 1rum s ILE 21 Cb -0.05 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1rum s ILE 21 CO -0.02 -0.08 -0.12 -0.55 0.00 0.00 0.00 174.94 174.17 1rum s SER 22 N -1.32 4.20 -0.05 3.58 0.15 0.16 -0.83 113.70 119.59 1rum s SER 22 Ca 0.00 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 1rum s SER 22 Cb -0.08 -0.84 0.03 0.00 -1.71 0.00 0.00 66.02 63.42 1rum s SER 22 CO 0.02 0.27 0.01 0.00 1.20 0.00 0.00 173.24 174.74 1rum s LYS 24 N 1.60 2.69 0.05 0.00 1.02 -0.16 -0.61 119.74 124.33 1rum s LYS 24 Ca -0.01 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 1rum s LYS 24 Cb -0.13 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1rum s LYS 24 CO -0.03 0.12 0.22 0.45 -0.92 0.00 0.00 175.35 175.19 1rum s SER 25 N 0.47 6.38 0.33 2.83 0.15 0.90 -1.14 113.70 123.62 1rum s SER 25 Ca -0.17 0.32 0.26 0.00 0.70 0.00 0.00 55.95 57.06 1rum s SER 25 Cb -0.17 -1.98 0.91 0.00 -1.71 0.00 0.00 66.02 63.06 1rum s SER 25 CO 0.07 0.18 1.77 0.77 1.20 0.00 0.00 173.24 177.23 1rum h SER 26 N 3.24 0.00 -4.73 5.45 4.64 -1.46 -3.45 113.55 117.25 1rum h SER 26 Ca -0.46 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 1rum h SER 26 Cb 1.17 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.07 1rum h SER 26 CO 0.74 0.00 -0.72 -1.10 -0.87 0.00 0.00 176.83 174.88 1rum s GLN 27 N -3.31 0.62 0.00 4.77 -0.21 -1.26 -4.96 119.66 115.31 1rum s GLN 27 Ca 0.06 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.49 1rum s GLN 27 Cb 0.09 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.85 1rum s GLN 27 CO 0.53 0.02 0.00 0.54 -2.12 0.00 0.00 175.29 174.26 1rum n ARG 27 N 0.96 -0.59 -1.53 2.91 1.74 -1.26 -4.71 116.66 114.18 1rum n ARG 27 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1rum n ARG 27 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1rum n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1rum n LEU 27 N 0.00 -1.67 0.00 0.55 7.94 -1.26 -4.94 117.00 117.62 1rum n LEU 27 Ca 0.00 2.39 -0.23 0.00 -1.11 0.00 0.00 56.01 57.06 1rum n LEU 27 Cb 0.00 -2.85 -0.01 0.00 0.53 0.00 0.00 43.42 41.10 1rum n LEU 27 CO 0.00 0.26 0.03 -0.46 -1.11 0.00 0.00 177.39 176.12 1rum n ASN 27 N -1.06 2.61 0.00 1.96 6.94 0.15 -4.98 115.26 120.88 1rum n ASN 27 Ca 0.00 -2.69 0.09 0.00 -0.02 0.00 0.00 54.58 51.96 1rum n ASN 27 Cb 0.03 -0.00 0.39 0.00 -2.36 0.00 0.00 39.78 37.84 1rum n ASN 27 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1rum n SER 27 N -1.79 0.00 -0.92 0.53 7.64 -1.26 -2.35 113.62 115.47 1rum n SER 27 Ca -0.04 0.45 0.07 0.00 1.01 0.00 0.00 58.87 60.37 1rum n SER 27 Cb 0.55 -0.48 0.23 0.00 -1.01 0.00 0.00 64.21 63.50 1rum n SER 27 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rum n ASN 28 N -1.48 3.60 0.00 6.43 5.03 -1.26 -4.97 115.26 122.61 1rum n ASN 28 Ca 0.05 -2.38 0.00 0.00 0.87 0.00 0.00 54.58 53.12 1rum n ASN 28 Cb 0.20 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1rum n ASN 28 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rum n GLY 29 N 0.38 0.67 3.87 7.41 0.00 -0.99 -5.05 105.19 111.49 1rum n GLY 29 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1rum n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rum s LYS 30 N -0.17 3.79 -0.27 1.61 1.02 -1.26 -4.78 119.74 119.67 1rum s LYS 30 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.24 1rum s LYS 30 Cb 0.00 -2.74 0.06 0.00 -0.52 0.00 0.00 37.83 34.62 1rum s LYS 30 CO 0.00 0.38 -0.07 0.99 -0.92 0.00 0.00 175.35 175.73 1rum s THR 31 N -1.72 2.44 -1.26 2.17 2.01 -1.26 0.30 115.64 118.32 1rum s THR 31 Ca 0.44 -1.55 -0.13 0.00 0.31 0.00 0.00 61.69 60.75 1rum s THR 31 Cb -0.12 -2.42 0.15 0.00 0.01 0.00 0.00 72.50 70.11 1rum s THR 31 CO 0.21 -0.05 1.64 0.49 -0.69 0.00 0.00 174.62 176.22 1rum n PHE 32 N 4.49 4.38 -4.03 4.92 3.72 -1.26 -3.17 117.46 126.51 1rum n PHE 32 Ca -0.14 -3.12 -0.30 0.00 -0.05 0.00 0.00 57.45 53.84 1rum n PHE 32 Cb 0.42 -2.23 -0.16 0.00 -0.94 0.00 0.00 39.48 36.57 1rum n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1rum s LEU 33 N 1.66 1.77 0.16 4.37 1.98 -1.26 -0.50 118.68 126.86 1rum s LEU 33 Ca 0.44 -0.53 0.10 0.00 -2.89 0.00 0.00 54.13 51.25 1rum s LEU 33 Cb 0.02 -1.21 -0.04 0.00 0.66 0.00 0.00 46.19 45.62 1rum s LEU 33 CO 0.01 -0.06 -0.18 0.20 -1.89 0.00 0.00 176.35 174.43 1rum s ASN 34 N 1.46 3.82 -0.05 3.68 -0.87 -0.05 -1.23 114.94 121.70 1rum s ASN 34 Ca 0.05 -0.67 0.03 0.00 -1.57 0.00 0.00 52.86 50.70 1rum s ASN 34 Cb -0.13 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.25 40.58 1rum s ASN 34 CO -0.11 0.14 -0.13 0.26 -2.57 0.00 0.00 177.10 174.69 1rum s TRP 35 N -1.46 2.74 0.10 2.20 0.52 -0.47 -0.83 118.94 121.74 1rum s TRP 35 Ca 0.21 -0.14 0.05 0.00 0.02 0.00 0.00 56.10 56.24 1rum s TRP 35 Cb -0.09 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1rum s TRP 35 CO 0.11 0.20 -0.13 -0.51 0.02 0.00 0.00 176.95 176.65 1rum s LEU 36 N -0.73 2.36 -0.10 2.99 1.02 0.05 -1.47 118.68 122.81 1rum s LEU 36 Ca 0.11 -0.74 0.04 0.00 0.02 0.00 0.00 54.13 53.56 1rum s LEU 36 Cb -0.11 -0.45 0.00 0.00 0.02 0.00 0.00 46.19 45.66 1rum s LEU 36 CO 0.01 -0.16 -0.23 -0.22 0.02 0.00 0.00 176.35 175.76 1rum s LEU 37 N -2.20 2.05 -0.36 1.79 2.96 -0.48 -0.81 118.68 121.63 1rum s LEU 37 Ca 0.04 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1rum s LEU 37 Cb -0.06 -1.36 0.08 0.00 0.50 0.00 0.00 46.19 45.35 1rum s LEU 37 CO 0.02 0.15 0.12 -1.58 -1.32 0.00 0.00 176.35 173.74 1rum s GLN 38 N 0.36 2.27 0.58 1.98 0.74 0.11 -0.43 119.66 125.27 1rum s GLN 38 Ca -0.18 -1.51 -0.15 0.00 0.05 0.00 0.00 55.36 53.56 1rum s GLN 38 Cb -0.18 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1rum s GLN 38 CO 0.08 -0.85 1.03 1.03 -0.55 0.00 0.00 175.29 176.03 1rum s ARG 39 N 1.23 3.55 0.09 1.67 0.52 -1.26 -1.21 118.95 123.54 1rum s ARG 39 Ca 0.02 1.03 -0.35 0.00 -0.52 0.00 0.00 55.73 55.91 1rum s ARG 39 Cb -0.21 -2.07 -0.14 0.00 0.52 0.00 0.00 34.95 33.04 1rum s ARG 39 CO -0.02 -0.61 1.58 -2.30 0.02 0.00 0.00 175.30 173.97 1rum n PRO 40 N -2.06 1.90 -1.02 3.54 -0.02 -1.26 -1.31 135.00 134.76 1rum n PRO 40 Ca 0.07 0.69 -0.01 0.00 -2.02 0.00 0.00 63.50 62.23 1rum n PRO 40 Cb 0.53 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1rum n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rum n GLY 41 N 3.40 0.39 3.63 -1.23 0.00 -1.26 -5.01 105.19 105.11 1rum n GLY 41 Ca 0.18 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1rum n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rum s GLN 42 N -0.91 2.02 0.71 1.61 -0.21 -0.43 -5.14 119.66 117.31 1rum s GLN 42 Ca 0.00 -1.94 -0.11 0.00 0.02 0.00 0.00 55.36 53.34 1rum s GLN 42 Cb 0.00 -1.79 0.02 0.00 1.00 0.00 0.00 33.01 32.23 1rum s GLN 42 CO 0.00 0.01 1.06 -1.54 -2.12 0.00 0.00 175.29 172.71 1rum s SER 43 N -3.74 5.25 0.61 5.90 1.04 -1.26 -4.60 113.70 116.90 1rum s SER 43 Ca 0.36 1.62 -0.19 0.00 0.48 0.00 0.00 55.95 58.22 1rum s SER 43 Cb 0.05 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 1rum s SER 43 CO 0.19 -1.53 1.11 -2.65 0.98 0.00 0.00 173.24 171.34 1rum n PRO 44 N -3.19 1.06 -4.15 4.02 -0.02 -1.26 -4.48 135.00 126.98 1rum n PRO 44 Ca 0.08 0.41 -0.16 0.00 -2.02 0.00 0.00 63.50 61.81 1rum n PRO 44 Cb 0.54 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 1rum n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1rum s LYS 45 N -2.94 0.64 0.62 -0.52 1.02 0.42 -4.95 119.74 114.03 1rum s LYS 45 Ca 0.77 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.85 1rum s LYS 45 Cb -0.41 -0.53 -0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1rum s LYS 45 CO 0.45 0.12 1.27 -0.98 -0.92 0.00 0.00 175.35 175.30 1rum s ARG 46 N -1.34 2.76 0.19 1.68 1.70 -1.26 -1.38 118.95 121.30 1rum s ARG 46 Ca -0.05 2.01 0.00 0.00 -0.47 0.00 0.00 55.73 57.22 1rum s ARG 46 Cb -0.09 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.37 1rum s ARG 46 CO 0.01 -1.42 0.00 1.28 -1.08 0.00 0.00 175.30 174.09 1rum n LEU 47 N -1.69 0.08 -4.21 -1.89 4.77 -0.54 -4.72 117.00 108.81 1rum n LEU 47 Ca 0.14 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.21 1rum n LEU 47 Cb 0.48 0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.62 1rum n LEU 47 CO 0.47 -0.71 -0.50 -0.63 -1.33 0.00 0.00 177.39 174.69 1rum s ILE 48 N -1.73 1.43 0.24 -0.08 -1.09 -0.78 -0.84 121.20 118.35 1rum s ILE 48 Ca 0.00 -1.13 0.00 0.00 -2.23 0.00 0.00 60.65 57.29 1rum s ILE 48 Cb 0.00 -1.26 -0.03 0.00 -1.58 0.00 0.00 42.46 39.58 1rum s ILE 48 CO 0.00 0.11 0.22 -0.72 -1.23 0.00 0.00 174.94 173.31 1rum s TYR 49 N -0.83 1.24 -1.19 3.97 1.13 0.15 -1.37 117.35 120.44 1rum s TYR 49 Ca 0.05 -1.39 0.00 0.00 -1.41 0.00 0.00 57.07 54.32 1rum s TYR 49 Cb -0.08 -0.51 0.00 0.00 -1.10 0.00 0.00 41.96 40.27 1rum s TYR 49 CO 0.02 -0.76 0.00 1.28 -2.51 0.00 0.00 175.55 173.58 1rum n LEU 50 N -0.38 -1.22 0.00 -3.49 4.77 -1.17 -1.06 117.00 114.45 1rum n LEU 50 Ca 0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1rum n LEU 50 Cb 0.64 -2.22 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 1rum n LEU 50 CO 0.32 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1rum n GLY 51 N -0.76 1.49 0.00 -0.72 0.00 -0.36 -4.35 105.19 100.49 1rum n GLY 51 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1rum n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rum n THR 52 N 0.00 0.17 -4.11 2.61 -2.24 -1.15 -3.91 114.28 105.65 1rum n THR 52 Ca 0.00 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 1rum n THR 52 Cb 0.00 1.24 -0.09 0.00 -2.10 0.00 0.00 70.33 69.38 1rum n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1rum s LYS 53 N -0.17 3.46 0.06 -0.78 2.20 -0.22 -4.58 119.74 119.71 1rum s LYS 53 Ca 0.00 -0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.00 1rum s LYS 53 Cb 0.00 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 1rum s LYS 53 CO 0.00 0.58 1.43 -1.17 -0.36 0.00 0.00 175.35 175.82 1rum s LEU 54 N -0.49 4.35 0.93 5.43 2.96 -1.26 -0.68 118.68 129.91 1rum s LEU 54 Ca 0.10 2.25 -0.14 0.00 -0.22 0.00 0.00 54.13 56.12 1rum s LEU 54 Cb -0.12 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.16 1rum s LEU 54 CO 0.02 -0.71 1.23 -0.62 -1.32 0.00 0.00 176.35 174.95 1rum s ASP 55 N 1.61 3.42 0.04 3.68 -1.08 -0.02 -4.82 116.67 119.50 1rum s ASP 55 Ca 0.65 0.56 -0.30 0.00 -0.52 0.00 0.00 52.55 52.94 1rum s ASP 55 Cb -0.35 -0.84 -0.08 0.00 -1.46 0.00 0.00 42.92 40.20 1rum s ASP 55 CO 0.29 -2.57 1.74 -0.55 0.52 0.00 0.00 175.17 174.60 1rum s SER 56 N -4.59 6.56 0.00 -0.34 0.15 -1.26 -2.34 113.70 111.88 1rum s SER 56 Ca 0.68 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.84 1rum s SER 56 Cb -0.08 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1rum s SER 56 CO 0.52 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1rum n GLY 57 N 4.18 0.90 3.73 9.45 0.00 -1.26 -5.02 105.19 117.17 1rum n GLY 57 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rum n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rum s VAL 58 N -3.60 4.26 0.42 1.61 1.01 -0.99 -5.00 120.40 118.11 1rum s VAL 58 Ca 0.00 1.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 1rum s VAL 58 Cb 0.00 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 1rum s VAL 58 CO 0.00 0.31 1.18 -2.65 0.00 0.00 0.00 175.10 173.94 1rum n PRO 59 N 2.62 1.71 0.00 2.72 -0.02 -1.26 -4.85 135.00 135.92 1rum n PRO 59 Ca 0.02 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1rum n PRO 59 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1rum n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1rum n ASP 60 N 0.30 0.11 0.12 2.55 5.68 -1.26 -2.98 116.55 121.08 1rum n ASP 60 Ca 0.08 -1.73 0.12 0.00 -0.50 0.00 0.00 54.79 52.75 1rum n ASP 60 Cb 0.39 -0.06 0.48 0.00 -1.14 0.00 0.00 41.12 40.79 1rum n ASP 60 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1rum n ARG 61 N -0.43 0.20 -3.66 0.11 1.74 -1.26 -4.70 116.66 108.67 1rum n ARG 61 Ca 0.00 0.39 -0.37 0.00 -0.77 0.00 0.00 57.85 57.10 1rum n ARG 61 Cb 0.03 -1.85 -0.07 0.00 -1.02 0.00 0.00 32.46 29.55 1rum n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1rum s PHE 62 N -3.28 3.54 -0.05 -1.55 0.08 -1.16 -1.32 117.98 114.24 1rum s PHE 62 Ca 0.05 0.61 0.01 0.00 0.12 0.00 0.00 56.93 57.72 1rum s PHE 62 Cb 0.10 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1rum s PHE 62 CO 0.42 0.46 -0.04 0.99 -0.10 0.00 0.00 175.22 176.95 1rum s THR 63 N -0.26 0.55 -0.15 0.64 2.01 -0.33 -4.93 115.64 113.17 1rum s THR 63 Ca 0.16 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1rum s THR 63 Cb -0.13 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1rum s THR 63 CO 0.05 0.24 0.07 -0.83 -0.69 0.00 0.00 174.62 173.46 1rum s GLY 64 N 1.13 1.96 0.16 4.40 0.00 -1.26 -0.46 107.32 113.26 1rum s GLY 64 Ca -0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 1rum s GLY 64 CO -0.01 -0.19 0.07 -1.35 0.00 0.00 0.00 173.10 171.61 1rum s SER 65 N -0.27 0.50 0.00 1.64 1.04 0.42 -4.38 113.70 112.65 1rum s SER 65 Ca 0.09 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1rum s SER 65 Cb -0.12 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1rum s SER 65 CO 0.01 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1rum n GLY 66 N -0.19 -0.46 3.62 7.32 0.00 -1.26 -0.29 105.19 113.92 1rum n GLY 66 Ca -0.04 -2.26 -0.04 0.00 0.00 0.00 0.00 46.02 43.68 1rum n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rum s SER 67 N -1.22 -0.21 0.67 1.61 1.04 -1.00 -4.90 113.70 109.68 1rum s SER 67 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1rum s SER 67 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1rum s SER 67 CO 0.00 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1rum n GLY 68 N -0.33 1.67 0.03 7.32 0.00 -1.26 -2.01 105.19 110.61 1rum n GLY 68 Ca -0.06 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1rum n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rum n THR 69 N 0.00 0.00 -4.07 2.61 -2.24 -1.26 -4.46 114.28 104.86 1rum n THR 69 Ca 0.00 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1rum n THR 69 Cb 0.00 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 1rum n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rum s ASP 70 N -1.03 3.28 0.14 3.42 1.11 -0.85 -0.07 116.67 122.66 1rum s ASP 70 Ca 0.02 -0.77 0.07 0.00 0.18 0.00 0.00 52.55 52.05 1rum s ASP 70 Cb 0.02 -1.38 -0.04 0.00 1.07 0.00 0.00 42.92 42.59 1rum s ASP 70 CO 0.10 -0.07 -0.17 -0.36 1.18 0.00 0.00 175.17 175.85 1rum s PHE 71 N 1.32 1.66 -0.01 4.23 0.08 0.22 -2.39 117.98 123.10 1rum s PHE 71 Ca 0.02 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1rum s PHE 71 Cb -0.15 -0.85 0.01 0.00 -0.57 0.00 0.00 43.02 41.46 1rum s PHE 71 CO -0.10 0.25 0.00 0.99 -0.10 0.00 0.00 175.22 176.26 1rum s THR 72 N -1.97 0.05 -0.18 0.64 2.01 0.60 -0.82 115.64 115.95 1rum s THR 72 Ca 0.12 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1rum s THR 72 Cb -0.06 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1rum s THR 72 CO 0.05 0.06 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.81 1rum s LEU 73 N 0.42 3.31 -0.01 4.42 2.96 -0.01 -0.44 118.68 129.34 1rum s LEU 73 Ca -0.04 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1rum s LEU 73 Cb -0.06 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1rum s LEU 73 CO -0.01 0.11 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.38 1rum s LYS 74 N 0.73 2.17 -0.24 1.98 1.02 0.39 -0.56 119.74 125.22 1rum s LYS 74 Ca -0.00 -0.90 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 1rum s LYS 74 Cb -0.14 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.02 1rum s LYS 74 CO 0.02 0.57 -0.05 0.42 -0.92 0.00 0.00 175.35 175.39 1rum s ILE 75 N -0.74 3.05 0.19 2.17 1.01 0.28 -1.18 121.20 125.98 1rum s ILE 75 Ca 0.12 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 1rum s ILE 75 Cb -0.10 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1rum s ILE 75 CO 0.01 0.26 1.59 0.77 0.00 0.00 0.00 174.94 177.58 1rum h SER 76 N 8.05 0.87 -2.95 3.58 4.64 -1.49 -1.52 113.55 124.73 1rum h SER 76 Ca -0.35 -0.33 -0.35 0.00 -0.47 0.00 0.00 61.79 60.29 1rum h SER 76 Cb 1.12 -0.24 -0.37 0.00 -0.31 0.00 0.00 62.40 62.60 1rum h SER 76 CO 0.59 1.06 -0.67 0.00 -0.87 0.00 0.00 176.83 176.94 1rum s ARG 77 N -4.60 0.07 0.29 4.77 1.70 -1.26 -3.68 118.95 116.24 1rum s ARG 77 Ca -0.10 0.29 -0.29 0.00 -0.47 0.00 0.00 55.73 55.16 1rum s ARG 77 Cb 0.13 -0.93 -0.10 0.00 -0.57 0.00 0.00 34.95 33.48 1rum s ARG 77 CO 0.85 -0.49 1.27 0.08 -1.08 0.00 0.00 175.30 175.93 1rum s VAL 78 N 2.25 2.98 0.16 4.99 1.01 0.46 -4.73 120.40 127.52 1rum s VAL 78 Ca 0.04 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.04 1rum s VAL 78 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1rum s VAL 78 CO -0.08 0.20 -0.09 -1.61 0.00 0.00 0.00 175.10 173.53 1rum s GLU 79 N -1.32 2.12 0.45 2.72 2.02 -1.26 -0.49 118.70 122.93 1rum s GLU 79 Ca 0.50 -1.17 0.10 0.00 0.02 0.00 0.00 54.97 54.42 1rum s GLU 79 Cb -0.38 -2.23 1.00 0.00 0.10 0.00 0.00 34.13 32.63 1rum s GLU 79 CO 0.47 0.46 2.09 0.00 0.02 0.00 0.00 175.26 178.29 1rum h ALA 80 N 3.10 1.80 0.00 5.21 0.00 -1.97 -0.11 119.26 127.29 1rum h ALA 80 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1rum h ALA 80 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rum h ALA 80 CO 0.54 0.18 0.00 0.39 0.00 0.00 0.00 179.25 180.36 1rum n GLU 81 N -4.49 0.48 0.03 0.00 1.02 -1.26 -1.98 120.64 114.44 1rum n GLU 81 Ca 0.01 0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 1rum n GLU 81 Cb 0.08 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.50 1rum n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rum n ASP 82 N -1.16 0.20 -4.75 1.62 8.00 -0.05 -4.90 116.55 115.50 1rum n ASP 82 Ca 0.13 0.53 -0.34 0.00 0.71 0.00 0.00 54.79 55.82 1rum n ASP 82 Cb 0.13 -0.58 0.05 0.00 -0.02 0.00 0.00 41.12 40.71 1rum n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1rum s LEU 83 N -3.40 3.45 0.00 0.64 0.05 -0.84 -4.87 118.68 113.72 1rum s LEU 83 Ca 0.11 2.18 0.00 0.00 0.05 0.00 0.00 54.13 56.47 1rum s LEU 83 Cb 0.15 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.72 1rum s LEU 83 CO 0.47 -1.77 0.00 0.61 -0.55 0.00 0.00 176.35 175.12 1rum n GLY 84 N -0.01 0.87 3.33 -3.48 0.00 -1.06 -4.60 105.19 100.25 1rum n GLY 84 Ca 0.12 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1rum n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rum s VAL 85 N -3.02 3.32 -0.10 1.61 1.01 -0.35 -0.51 120.40 122.35 1rum s VAL 85 Ca 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1rum s VAL 85 Cb 0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1rum s VAL 85 CO 0.00 0.45 0.45 -0.31 0.00 0.00 0.00 175.10 175.69 1rum s TYR 86 N 1.15 3.55 0.12 5.22 1.51 0.50 -0.71 117.35 128.68 1rum s TYR 86 Ca 0.02 0.88 0.10 0.00 -1.01 0.00 0.00 57.07 57.07 1rum s TYR 86 Cb -0.14 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 1rum s TYR 86 CO -0.01 0.25 -0.26 0.71 -1.11 0.00 0.00 175.55 175.13 1rum s TYR 87 N 0.32 2.34 0.22 2.71 2.02 0.01 -0.54 117.35 124.43 1rum s TYR 87 Ca 0.25 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1rum s TYR 87 Cb -0.15 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1rum s TYR 87 CO 0.10 0.32 0.25 0.00 -1.57 0.00 0.00 175.55 174.65 1rum s TRP 89 N -1.98 -0.19 -0.04 0.00 -0.00 -0.01 -0.22 118.94 116.50 1rum s TRP 89 Ca 0.33 0.46 0.05 0.00 -0.00 0.00 0.00 56.10 56.94 1rum s TRP 89 Cb -0.09 0.06 -0.02 0.00 -0.00 0.00 0.00 33.47 33.42 1rum s TRP 89 CO 0.26 -0.09 -0.18 1.14 -0.00 0.00 0.00 176.95 178.08 1rum s GLN 90 N 0.11 2.41 -0.03 5.86 1.03 -0.00 -0.87 119.66 128.17 1rum s GLN 90 Ca -0.00 -0.77 0.05 0.00 0.04 0.00 0.00 55.36 54.68 1rum s GLN 90 Cb -0.01 -2.28 0.10 0.00 0.03 0.00 0.00 33.01 30.85 1rum s GLN 90 CO 0.00 0.59 1.06 0.41 -2.54 0.00 0.00 175.29 174.82 1rum n GLY 91 N 2.39 3.40 0.11 2.60 0.00 0.35 -2.79 105.19 111.25 1rum n GLY 91 Ca -0.17 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1rum n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rum h THR 92 N 0.22 1.16 -3.16 2.61 2.02 -1.96 -3.46 112.91 110.36 1rum h THR 92 Ca 0.00 -2.81 -0.67 0.00 0.77 0.00 0.00 66.41 63.70 1rum h THR 92 Cb 0.65 2.76 -0.33 0.00 -1.74 0.00 0.00 68.15 69.48 1rum h THR 92 CO 0.01 0.81 -0.83 -1.00 0.37 0.00 0.00 175.52 174.88 1rum s HIS 93 N -2.62 2.79 0.43 3.16 3.76 -1.26 -5.07 115.29 116.48 1rum s HIS 93 Ca -0.09 -1.42 -0.25 0.00 -0.15 0.00 0.00 55.06 53.16 1rum s HIS 93 Cb 0.07 -1.93 -0.08 0.00 1.11 0.00 0.00 32.58 31.75 1rum s HIS 93 CO 0.85 -0.70 1.25 0.12 -0.85 0.00 0.00 174.74 175.41 1rum s PHE 94 N 1.19 2.84 0.51 1.40 2.19 -1.26 -3.50 117.98 121.34 1rum s PHE 94 Ca 0.02 1.47 -0.19 0.00 0.33 0.00 0.00 56.93 58.56 1rum s PHE 94 Cb -0.14 -3.55 -0.07 0.00 -1.31 0.00 0.00 43.02 37.95 1rum s PHE 94 CO -0.08 -1.85 1.05 -1.25 1.83 0.00 0.00 175.22 174.92 1rum s PRO 95 N -2.42 3.68 0.36 10.12 0.04 -1.26 -4.86 135.00 140.66 1rum s PRO 95 Ca 0.60 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.74 1rum s PRO 95 Cb -0.34 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 1rum s PRO 95 CO 0.43 -0.54 1.16 0.71 0.04 0.00 0.00 177.00 178.80 1rum s TYR 96 N -2.03 3.20 0.05 0.56 2.02 -1.23 -4.67 117.35 115.24 1rum s TYR 96 Ca 0.67 1.58 0.01 0.00 -0.37 0.00 0.00 57.07 58.96 1rum s TYR 96 Cb -0.17 -3.38 -0.03 0.00 -0.40 0.00 0.00 41.96 37.98 1rum s TYR 96 CO 0.23 -1.14 -0.06 0.95 -1.57 0.00 0.00 175.55 173.96 1rum s THR 97 N -1.34 0.43 0.07 -0.71 -4.23 -1.12 -5.00 115.64 103.74 1rum s THR 97 Ca 0.53 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1rum s THR 97 Cb -0.31 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 1rum s THR 97 CO 0.40 -0.54 0.02 -0.36 -0.54 0.00 0.00 174.62 173.60 1rum s PHE 98 N -1.95 3.05 1.06 3.99 0.40 -1.26 -0.82 117.98 122.44 1rum s PHE 98 Ca -0.07 0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.13 1rum s PHE 98 Cb -0.06 -1.58 0.22 0.00 0.51 0.00 0.00 43.02 42.11 1rum s PHE 98 CO -0.02 0.49 1.10 0.20 0.70 0.00 0.00 175.22 177.69 1rum s GLY 99 N -2.19 1.57 0.00 4.36 0.00 0.70 -4.55 107.32 107.21 1rum s GLY 99 Ca 0.25 -0.57 0.30 0.00 0.00 0.00 0.00 44.72 44.70 1rum s GLY 99 CO 0.18 0.13 2.02 0.61 0.00 0.00 0.00 173.10 176.03 1rum n GLY 100 N -1.16 -0.97 0.00 0.20 0.00 -1.25 -4.72 105.19 97.29 1rum n GLY 100 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1rum n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rum n GLY 101 N 1.18 -0.17 3.08 -0.02 0.00 -1.26 -5.03 105.19 102.97 1rum n GLY 101 Ca 0.18 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1rum n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rum s THR 102 N -1.99 1.72 -0.25 2.61 2.01 0.29 -4.77 115.64 115.25 1rum s THR 102 Ca 0.00 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 1rum s THR 102 Cb 0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1rum s THR 102 CO 0.00 0.48 0.52 -0.75 -0.69 0.00 0.00 174.62 174.19 1rum s LYS 103 N 1.14 4.09 -0.24 4.92 2.20 -0.41 -0.37 119.74 131.05 1rum s LYS 103 Ca -0.02 0.35 -0.20 0.00 -0.36 0.00 0.00 55.97 55.74 1rum s LYS 103 Cb -0.14 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1rum s LYS 103 CO -0.06 -0.33 0.63 -1.17 -0.36 0.00 0.00 175.35 174.06 1rum s LEU 104 N 2.25 4.08 -0.03 5.43 2.96 0.33 -0.85 118.68 132.84 1rum s LEU 104 Ca 0.22 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 1rum s LEU 104 Cb -0.16 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 1rum s LEU 104 CO 0.09 -0.35 0.02 -0.70 -1.32 0.00 0.00 176.35 174.10 1rum s GLU 105 N 2.37 2.93 -0.22 1.98 2.12 0.69 -2.55 118.70 126.02 1rum s GLU 105 Ca 0.27 -0.50 -0.20 0.00 0.36 0.00 0.00 54.97 54.90 1rum s GLU 105 Cb -0.16 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 1rum s GLU 105 CO 0.09 0.66 0.60 0.42 -0.54 0.00 0.00 175.26 176.49 1rum s ILE 106 N -1.05 5.03 0.06 -3.70 -1.09 -1.26 -0.87 121.20 118.32 1rum s ILE 106 Ca 0.18 1.10 -0.29 0.00 -2.23 0.00 0.00 60.65 59.42 1rum s ILE 106 Cb -0.12 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1rum s ILE 106 CO 0.08 0.09 0.91 -0.75 -1.23 0.00 0.00 174.94 174.05 1rum s LYS 107 N 2.08 4.61 0.31 2.79 2.20 -0.11 -4.84 119.74 126.77 1rum s LYS 107 Ca 0.26 1.33 0.03 0.00 -0.36 0.00 0.00 55.97 57.23 1rum s LYS 107 Cb -0.16 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1rum s LYS 107 CO 0.09 0.16 0.30 -0.98 -0.36 0.00 0.00 175.35 174.57 1rum s ARG 108 N 0.27 1.68 0.51 4.03 1.70 -1.26 -4.36 118.95 121.52 1rum s ARG 108 Ca 0.46 -1.86 -0.22 0.00 -0.47 0.00 0.00 55.73 53.64 1rum s ARG 108 Cb -0.22 0.35 -0.06 0.00 -0.57 0.00 0.00 34.95 34.45 1rum s ARG 108 CO 0.27 -0.64 1.24 0.00 -1.08 0.00 0.00 175.30 175.10 1rum s ALA 109 N -3.50 2.84 0.55 7.88 0.00 -1.26 -4.94 121.76 123.33 1rum s ALA 109 Ca 0.38 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 1rum s ALA 109 Cb 0.02 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1rum s ALA 109 CO 0.23 -1.00 1.20 -0.25 0.00 0.00 0.00 175.76 175.93 1rum n ASP 110 N -0.88 1.92 -3.71 0.00 8.00 -1.26 -4.79 116.55 115.82 1rum n ASP 110 Ca 0.10 0.93 -0.14 0.00 0.71 0.00 0.00 54.79 56.38 1rum n ASP 110 Cb 0.47 -1.49 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 1rum n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rum s ALA 111 N -1.36 -0.30 0.51 2.24 0.00 0.26 -4.91 121.76 118.21 1rum s ALA 111 Ca 0.73 0.71 -0.20 0.00 0.00 0.00 0.00 51.96 53.19 1rum s ALA 111 Cb -0.43 -0.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 1rum s ALA 111 CO 0.49 -0.33 1.07 0.00 0.00 0.00 0.00 175.76 176.99 1rum s ALA 112 N 1.65 2.80 0.55 0.00 0.00 -1.26 -1.13 121.76 124.37 1rum s ALA 112 Ca -0.04 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 1rum s ALA 112 Cb -0.12 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1rum s ALA 112 CO -0.06 -0.49 1.12 -1.25 0.00 0.00 0.00 175.76 175.08 1rum s PRO 113 N -3.28 3.32 -0.30 0.00 0.04 -1.26 -4.55 135.00 128.97 1rum s PRO 113 Ca 0.69 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 63.11 1rum s PRO 113 Cb -0.19 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1rum s PRO 113 CO 0.23 -0.87 0.63 0.99 0.04 0.00 0.00 177.00 178.02 1rum s THR 114 N -1.83 4.94 -0.14 1.26 2.01 -0.17 -4.84 115.64 116.86 1rum s THR 114 Ca 0.72 0.89 -0.02 0.00 0.31 0.00 0.00 61.69 63.58 1rum s THR 114 Cb -0.23 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 1rum s THR 114 CO 0.28 -0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 1rum s VAL 115 N 2.60 3.63 -0.02 3.82 1.01 -1.26 -0.68 120.40 129.50 1rum s VAL 115 Ca 0.25 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1rum s VAL 115 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1rum s VAL 115 CO 0.11 0.51 -0.01 -0.44 0.00 0.00 0.00 175.10 175.27 1rum s SER 116 N 0.29 0.35 0.08 3.32 0.01 -0.47 -4.97 113.70 112.31 1rum s SER 116 Ca -0.05 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.26 1rum s SER 116 Cb -0.15 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1rum s SER 116 CO 0.04 -0.04 -0.21 -0.51 0.41 0.00 0.00 173.24 172.93 1rum s ILE 117 N 0.52 2.61 -0.06 1.44 2.07 -1.26 -0.86 121.20 125.66 1rum s ILE 117 Ca -0.05 -1.42 -0.00 0.00 -1.41 0.00 0.00 60.65 57.76 1rum s ILE 117 Cb -0.08 -2.13 0.02 0.00 0.13 0.00 0.00 42.46 40.40 1rum s ILE 117 CO -0.01 0.22 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.85 1rum s PHE 118 N -1.00 0.78 0.93 3.50 0.40 0.12 -5.01 117.98 117.69 1rum s PHE 118 Ca 0.15 -0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 56.13 1rum s PHE 118 Cb -0.10 -0.78 0.15 0.00 0.51 0.00 0.00 43.02 42.79 1rum s PHE 118 CO 0.06 -0.29 1.09 -2.14 0.70 0.00 0.00 175.22 174.65 1rum s PRO 119 N 1.50 0.99 0.40 0.24 0.02 -1.26 -2.05 135.00 134.83 1rum s PRO 119 Ca -0.02 0.88 -0.27 0.00 0.02 0.00 0.00 61.00 61.61 1rum s PRO 119 Cb -0.13 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 1rum s PRO 119 CO -0.03 -2.44 1.41 -2.30 -0.33 0.00 0.00 177.00 173.30 1rum n PRO 120 N -4.03 2.36 -2.05 5.54 -0.02 -1.16 -4.83 135.00 130.82 1rum n PRO 120 Ca 0.07 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 62.04 1rum n PRO 120 Cb 0.55 -2.56 0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1rum n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rum s SER 121 N -0.31 5.49 0.40 2.55 1.04 -1.26 -4.91 113.70 116.71 1rum s SER 121 Ca 0.57 2.08 0.10 0.00 0.48 0.00 0.00 55.95 59.18 1rum s SER 121 Cb -0.49 -2.57 0.90 0.00 0.10 0.00 0.00 66.02 63.96 1rum s SER 121 CO 0.61 -1.37 1.98 0.77 0.98 0.00 0.00 173.24 176.20 1rum h SER 122 N 0.69 0.50 0.05 7.02 4.64 -1.99 -1.81 113.55 122.64 1rum h SER 122 Ca -0.48 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rum h SER 122 Cb 1.25 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1rum h SER 122 CO 0.56 0.31 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.48 1rum h GLU 123 N 0.56 -0.06 -0.71 4.77 3.07 -2.01 -2.57 114.58 117.63 1rum h GLU 123 Ca 0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 1rum h GLU 123 Cb 0.38 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1rum h GLU 123 CO -0.09 0.03 0.35 0.37 -1.40 0.00 0.00 179.01 178.28 1rum h GLN 124 N -0.13 1.00 0.00 2.33 4.15 -1.75 -2.63 115.11 118.09 1rum h GLN 124 Ca -0.01 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1rum h GLN 124 Cb 0.11 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1rum h GLN 124 CO 0.01 0.76 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.50 1rum h LEU 125 N 1.00 0.00 -0.79 -2.39 3.38 -1.00 -0.03 115.31 115.49 1rum h LEU 125 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1rum h LEU 125 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rum h LEU 125 CO -0.03 0.10 0.00 0.71 0.09 0.00 0.00 178.44 179.30 1rum h THR 126 N 0.00 0.00 -0.28 0.22 1.35 -1.08 -3.18 112.91 109.94 1rum h THR 126 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1rum h THR 126 Cb 0.22 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1rum h THR 126 CO 0.01 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.74 1rum n SER 127 N -2.31 3.16 0.00 5.36 3.41 -0.02 -4.99 113.62 118.22 1rum n SER 127 Ca 0.02 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1rum n SER 127 Cb 0.23 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1rum n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rum n GLY 128 N 1.43 2.97 3.73 5.00 0.00 -1.20 -5.01 105.19 112.11 1rum n GLY 128 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1rum n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rum s GLY 129 N -1.97 2.04 -0.18 -0.02 0.00 -1.26 -1.22 107.32 104.70 1rum s GLY 129 Ca 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 44.72 42.78 1rum s GLY 129 CO 0.00 -1.80 0.30 0.00 0.00 0.00 0.00 173.10 171.60 1rum s ALA 130 N -2.47 -0.69 -0.14 3.20 0.00 0.18 -4.09 121.76 117.76 1rum s ALA 130 Ca 0.38 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 1rum s ALA 130 Cb -0.01 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1rum s ALA 130 CO 0.22 -0.94 -0.13 -1.12 0.00 0.00 0.00 175.76 173.80 1rum s SER 131 N 2.45 3.96 -0.19 0.00 0.01 -1.26 -0.78 113.70 117.89 1rum s SER 131 Ca 0.05 -0.36 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 1rum s SER 131 Cb -0.14 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 1rum s SER 131 CO -0.12 0.14 0.05 -0.69 0.41 0.00 0.00 173.24 173.03 1rum s VAL 132 N 0.48 4.53 -0.05 3.43 1.01 0.33 -2.97 120.40 127.16 1rum s VAL 132 Ca -0.09 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1rum s VAL 132 Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1rum s VAL 132 CO 0.04 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 1rum s VAL 133 N 0.64 2.51 -0.07 2.92 1.01 -0.87 -0.24 120.40 126.30 1rum s VAL 133 Ca 0.02 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1rum s VAL 133 Cb -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1rum s VAL 133 CO 0.02 0.58 -0.13 0.00 0.00 0.00 0.00 175.10 175.57 1rum s PHE 135 N 0.69 3.28 -0.43 0.00 0.08 -0.04 -0.41 117.98 121.15 1rum s PHE 135 Ca -0.14 0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.09 1rum s PHE 135 Cb -0.16 -1.98 0.12 0.00 -0.57 0.00 0.00 43.02 40.42 1rum s PHE 135 CO 0.04 0.31 0.18 -0.51 -0.10 0.00 0.00 175.22 175.14 1rum s LEU 136 N -0.15 4.80 0.02 -0.37 1.02 0.44 -1.37 118.68 123.07 1rum s LEU 136 Ca 0.07 -2.44 0.03 0.00 0.02 0.00 0.00 54.13 51.81 1rum s LEU 136 Cb -0.12 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1rum s LEU 136 CO 0.01 -0.37 -0.04 0.20 0.02 0.00 0.00 176.35 176.18 1rum s ASN 137 N 0.74 4.85 -1.08 2.29 0.01 0.14 -0.54 114.94 121.35 1rum s ASN 137 Ca 0.13 -0.11 -0.09 0.00 -0.71 0.00 0.00 52.86 52.08 1rum s ASN 137 Cb -0.22 -1.18 -0.05 0.00 0.41 0.00 0.00 41.25 40.21 1rum s ASN 137 CO -0.05 0.26 0.89 0.59 -1.51 0.00 0.00 177.10 177.29 1rum n ASN 138 N 1.34 -6.03 -4.63 -1.22 4.13 -0.57 -1.00 115.26 107.28 1rum n ASN 138 Ca -0.14 -0.78 -0.26 0.00 1.68 0.00 0.00 54.58 55.08 1rum n ASN 138 Cb 0.52 -4.78 -0.09 0.00 -1.54 0.00 0.00 39.78 33.89 1rum n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1rum s PHE 139 N -3.41 2.53 -0.23 3.10 -0.12 0.08 -4.58 117.98 115.34 1rum s PHE 139 Ca 0.43 -0.52 -0.20 0.00 -0.05 0.00 0.00 56.93 56.59 1rum s PHE 139 Cb -0.08 -1.61 0.06 0.00 -0.63 0.00 0.00 43.02 40.77 1rum s PHE 139 CO 0.77 0.44 0.61 -0.47 -0.05 0.00 0.00 175.22 176.52 1rum s TYR 140 N -2.59 -0.71 0.79 3.49 6.14 -0.29 -1.03 117.35 123.16 1rum s TYR 140 Ca 0.35 1.68 -0.13 0.00 0.64 0.00 0.00 57.07 59.61 1rum s TYR 140 Cb 0.03 0.27 0.19 0.00 0.42 0.00 0.00 41.96 42.87 1rum s TYR 140 CO 0.19 -0.34 0.97 -0.35 0.64 0.00 0.00 175.55 176.66 1rum n PRO 141 N 2.97 -1.37 0.19 4.97 -0.04 -1.26 -0.57 135.00 139.88 1rum n PRO 141 Ca -0.15 -1.51 0.06 0.00 -0.04 0.00 0.00 63.50 61.86 1rum n PRO 141 Cb 0.56 -1.09 0.33 0.00 -0.04 0.00 0.00 33.50 33.26 1rum n PRO 141 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1rum h LYS 142 N 0.00 0.00 -6.77 0.54 2.10 -1.99 -3.44 116.57 107.02 1rum h LYS 142 Ca -0.32 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.81 1rum h LYS 142 Cb 0.92 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.27 1rum h LYS 142 CO 0.23 0.35 0.55 -0.51 -2.00 0.00 0.00 179.45 178.07 1rum s ASP 143 N -6.37 7.07 0.06 7.07 1.01 -1.26 -5.00 116.67 119.24 1rum s ASP 143 Ca 0.01 2.36 -0.24 0.00 0.71 0.00 0.00 52.55 55.39 1rum s ASP 143 Cb 0.10 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.47 1rum s ASP 143 CO 0.68 -0.34 0.58 -0.51 0.21 0.00 0.00 175.17 175.79 1rum s ILE 144 N -0.68 0.01 -0.00 0.77 2.07 -1.26 -4.67 121.20 117.44 1rum s ILE 144 Ca 0.49 -0.12 0.07 0.00 -1.41 0.00 0.00 60.65 59.68 1rum s ILE 144 Cb -0.34 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.24 1rum s ILE 144 CO 0.42 -0.07 -0.21 0.20 -1.91 0.00 0.00 174.94 173.37 1rum s ASN 145 N -2.02 2.49 -0.04 4.50 -0.87 -0.45 -5.00 114.94 113.55 1rum s ASN 145 Ca -0.05 -0.41 0.06 0.00 -1.57 0.00 0.00 52.86 50.90 1rum s ASN 145 Cb -0.01 -0.26 -0.01 0.00 -0.02 0.00 0.00 41.25 40.95 1rum s ASN 145 CO -0.02 0.24 -0.24 0.54 -2.57 0.00 0.00 177.10 175.05 1rum s VAL 146 N -0.55 1.90 -0.06 1.60 0.11 -1.26 -0.08 120.40 122.06 1rum s VAL 146 Ca 0.08 -1.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1rum s VAL 146 Cb -0.08 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1rum s VAL 146 CO -0.00 0.53 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.39 1rum s LYS 147 N -0.32 1.89 -0.01 1.54 2.20 -0.19 -4.98 119.74 119.87 1rum s LYS 147 Ca 0.02 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1rum s LYS 147 Cb -0.11 -1.58 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 1rum s LYS 147 CO 0.01 0.16 0.13 -1.58 -0.36 0.00 0.00 175.35 173.72 1rum s TRP 148 N 0.28 3.42 0.03 4.03 0.52 -1.26 -0.57 118.94 125.39 1rum s TRP 148 Ca -0.09 0.28 0.04 0.00 0.02 0.00 0.00 56.10 56.36 1rum s TRP 148 Cb -0.14 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 1rum s TRP 148 CO 0.03 0.60 -0.13 0.15 0.02 0.00 0.00 176.95 177.63 1rum s LYS 149 N -1.86 0.91 -0.18 4.98 1.02 -0.15 -1.73 119.74 122.73 1rum s LYS 149 Ca 0.25 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1rum s LYS 149 Cb -0.12 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.30 1rum s LYS 149 CO 0.17 0.23 -0.19 0.42 -0.92 0.00 0.00 175.35 175.05 1rum s ILE 150 N -0.73 2.13 -1.55 2.17 1.01 -0.06 -1.20 121.20 122.97 1rum s ILE 150 Ca 0.02 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 1rum s ILE 150 Cb -0.07 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.60 1rum s ILE 150 CO 0.01 0.54 0.98 0.47 0.00 0.00 0.00 174.94 176.93 1rum n ASP 151 N 4.58 -4.78 0.00 3.58 8.00 0.50 -1.50 116.55 126.93 1rum n ASP 151 Ca -0.21 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1rum n ASP 151 Cb 0.50 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1rum n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rum n GLY 152 N -1.68 1.04 3.51 0.44 0.00 -1.26 -5.01 105.19 102.24 1rum n GLY 152 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1rum n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rum s SER 153 N -3.02 4.64 0.39 1.61 1.04 -0.56 -5.01 113.70 112.78 1rum s SER 153 Ca 0.00 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.04 1rum s SER 153 Cb 0.00 -1.53 -0.11 0.00 0.10 0.00 0.00 66.02 64.48 1rum s SER 153 CO 0.00 0.24 1.48 1.21 0.98 0.00 0.00 173.24 177.16 1rum n GLU 154 N 3.02 2.64 -3.97 4.02 2.13 -1.26 -0.88 120.64 126.34 1rum n GLU 154 Ca -0.18 0.93 -0.30 0.00 0.66 0.00 0.00 57.16 58.27 1rum n GLU 154 Cb 0.53 -2.67 -0.16 0.00 0.27 0.00 0.00 31.44 29.41 1rum n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1rum s ARG 155 N -2.14 1.87 -0.12 5.31 6.06 -0.71 -4.84 118.95 124.38 1rum s ARG 155 Ca 0.54 -0.76 0.14 0.00 -2.50 0.00 0.00 55.73 53.16 1rum s ARG 155 Cb -0.47 -2.31 -0.21 0.00 0.06 0.00 0.00 34.95 32.02 1rum s ARG 155 CO 0.63 -0.43 0.13 1.04 -2.50 0.00 0.00 175.30 174.17 1rum n GLN 156 N 4.73 1.24 -2.14 5.12 6.02 -1.26 -4.34 117.38 126.76 1rum n GLN 156 Ca -0.14 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 1rum n GLN 156 Cb 0.47 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 1rum n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rum s ASN 157 N -4.66 6.80 0.00 1.08 6.03 -1.26 -4.04 114.94 118.88 1rum s ASN 157 Ca -0.07 2.53 0.00 0.00 -1.03 0.00 0.00 52.86 54.29 1rum s ASN 157 Cb 0.06 -2.62 0.00 0.00 -3.03 0.00 0.00 41.25 35.66 1rum s ASN 157 CO 0.65 -0.58 0.00 0.61 -2.03 0.00 0.00 177.10 175.75 1rum n GLY 158 N 2.10 0.49 3.70 0.45 0.00 -1.26 -4.85 105.19 105.83 1rum n GLY 158 Ca 0.06 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1rum n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rum s VAL 159 N -2.00 5.37 -0.06 1.61 1.01 -1.26 -0.83 120.40 124.24 1rum s VAL 159 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1rum s VAL 159 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1rum s VAL 159 CO 0.00 0.39 -0.12 -0.76 0.00 0.00 0.00 175.10 174.61 1rum s LEU 160 N 0.66 1.69 0.13 3.92 1.43 -0.50 -4.98 118.68 121.03 1rum s LEU 160 Ca 0.09 -0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1rum s LEU 160 Cb -0.12 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 1rum s LEU 160 CO 0.01 0.05 -0.22 0.20 0.23 0.00 0.00 176.35 176.63 1rum s ASN 161 N 0.52 3.63 0.14 2.29 0.02 -1.26 -0.74 114.94 119.54 1rum s ASN 161 Ca -0.11 -0.67 0.01 0.00 -1.02 0.00 0.00 52.86 51.07 1rum s ASN 161 Cb -0.14 -0.39 -0.00 0.00 0.02 0.00 0.00 41.25 40.73 1rum s ASN 161 CO 0.03 0.17 0.16 -0.24 0.02 0.00 0.00 177.10 177.24 1rum n SER 162 N 0.75 -0.44 -4.52 -1.22 2.88 0.10 -4.99 113.62 106.17 1rum n SER 162 Ca -0.16 -1.84 -0.25 0.00 -1.33 0.00 0.00 58.87 55.29 1rum n SER 162 Cb 0.53 0.88 -0.11 0.00 -0.75 0.00 0.00 64.21 64.77 1rum n SER 162 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1rum s THR 164 N -2.57 2.01 0.89 2.46 -4.23 -0.26 -0.64 115.64 113.30 1rum s THR 164 Ca 0.14 -2.14 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 1rum s THR 164 Cb 0.00 -2.66 0.13 0.00 1.34 0.00 0.00 72.50 71.30 1rum s THR 164 CO 0.10 -0.18 1.11 -1.81 -0.54 0.00 0.00 174.62 173.30 1rum s ASP 165 N -3.58 3.62 0.34 3.99 1.01 -1.26 -4.62 116.67 116.17 1rum s ASP 165 Ca 0.32 1.18 -0.29 0.00 0.71 0.00 0.00 52.55 54.48 1rum s ASP 165 Cb 0.04 -1.84 -0.11 0.00 1.01 0.00 0.00 42.92 42.03 1rum s ASP 165 CO 0.16 -2.51 1.38 -1.58 0.21 0.00 0.00 175.17 172.83 1rum s GLN 166 N -5.13 4.26 -0.18 8.23 0.74 -1.26 -4.71 119.66 121.61 1rum s GLN 166 Ca 0.63 2.35 -0.24 0.00 0.05 0.00 0.00 55.36 58.15 1rum s GLN 166 Cb -0.16 -3.04 -0.02 0.00 1.10 0.00 0.00 33.01 30.90 1rum s GLN 166 CO 0.55 -0.33 0.79 0.34 -0.55 0.00 0.00 175.29 176.09 1rum s ASP 167 N -0.30 6.89 0.43 6.67 -1.08 0.09 -4.96 116.67 124.41 1rum s ASP 167 Ca 0.51 1.09 0.28 0.00 -0.52 0.00 0.00 52.55 53.91 1rum s ASP 167 Cb -0.42 -2.43 0.89 0.00 -1.46 0.00 0.00 42.92 39.50 1rum s ASP 167 CO 0.56 -0.38 1.79 0.77 0.52 0.00 0.00 175.17 178.43 1rum h SER 168 N 7.39 0.00 -0.12 -0.34 4.64 -1.90 0.66 113.55 123.88 1rum h SER 168 Ca -0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1rum h SER 168 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1rum h SER 168 CO 0.83 0.00 -0.00 0.07 -0.87 0.00 0.00 176.83 176.85 1rum h LYS 169 N 0.00 0.33 0.00 4.77 2.10 -1.93 -3.35 116.57 118.49 1rum h LYS 169 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1rum h LYS 169 Cb 0.70 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1rum h LYS 169 CO 0.00 0.36 0.00 -0.40 -2.00 0.00 0.00 179.45 177.41 1rum n ASP 170 N -4.35 0.00 -1.55 7.07 5.68 -1.19 -5.02 116.55 117.19 1rum n ASP 170 Ca 0.00 -1.00 -0.18 0.00 -0.50 0.00 0.00 54.79 53.11 1rum n ASP 170 Cb 0.20 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.12 1rum n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1rum n SER 171 N 0.00 -5.20 -5.01 -1.12 7.64 0.23 -5.00 113.62 105.17 1rum n SER 171 Ca 0.00 0.33 -0.19 0.00 1.01 0.00 0.00 58.87 60.02 1rum n SER 171 Cb 0.38 -4.28 0.04 0.00 -1.01 0.00 0.00 64.21 59.33 1rum n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1rum s THR 172 N -2.73 2.46 0.23 0.44 -4.23 -1.25 -4.75 115.64 105.82 1rum s THR 172 Ca 0.00 -1.04 0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1rum s THR 172 Cb 0.00 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.30 1rum s THR 172 CO 0.00 0.00 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.60 1rum s TYR 173 N -2.55 2.40 0.09 3.99 1.51 -0.20 -0.73 117.35 121.86 1rum s TYR 173 Ca 0.57 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1rum s TYR 173 Cb -0.07 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1rum s TYR 173 CO 0.35 0.60 -0.06 -1.12 -1.11 0.00 0.00 175.55 174.21 1rum s SER 174 N -3.13 1.05 -0.03 2.29 0.01 -1.26 -0.74 113.70 111.88 1rum s SER 174 Ca 0.26 -0.99 -0.06 0.00 1.31 0.00 0.00 55.95 56.47 1rum s SER 174 Cb -0.07 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1rum s SER 174 CO 0.14 -0.47 0.15 -0.32 0.41 0.00 0.00 173.24 173.15 1rum s MET 175 N -3.76 0.34 -0.05 12.44 0.00 0.30 -1.10 119.30 127.47 1rum s MET 175 Ca 0.10 -0.08 0.06 0.00 0.00 0.00 0.00 55.69 55.77 1rum s MET 175 Cb 0.05 0.15 -0.02 0.00 0.00 0.00 0.00 34.83 35.01 1rum s MET 175 CO -0.05 -0.07 -0.23 -1.54 0.00 0.00 0.00 175.02 173.13 1rum s SER 176 N -0.64 3.26 -0.07 1.11 1.04 0.19 -0.42 113.70 118.17 1rum s SER 176 Ca -0.07 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1rum s SER 176 Cb -0.04 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.33 1rum s SER 176 CO 0.01 0.28 -0.15 -0.55 0.98 0.00 0.00 173.24 173.80 1rum s SER 177 N -0.34 2.12 -0.14 7.02 0.15 0.46 -0.73 113.70 122.24 1rum s SER 177 Ca 0.02 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.31 1rum s SER 177 Cb -0.12 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 1rum s SER 177 CO 0.02 0.07 -0.15 -0.89 1.20 0.00 0.00 173.24 173.50 1rum s THR 178 N 0.54 1.58 -0.36 6.45 2.01 0.08 0.02 115.64 125.96 1rum s THR 178 Ca -0.15 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.06 1rum s THR 178 Cb -0.16 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1rum s THR 178 CO 0.05 0.46 0.33 -0.22 -0.69 0.00 0.00 174.62 174.55 1rum s LEU 179 N 1.40 4.59 -0.15 4.42 2.96 0.66 -1.41 118.68 131.15 1rum s LEU 179 Ca 0.03 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1rum s LEU 179 Cb -0.13 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1rum s LEU 179 CO -0.09 -0.35 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.69 1rum s THR 180 N 1.92 4.19 0.26 3.68 2.01 -0.01 -0.51 115.64 127.17 1rum s THR 180 Ca 0.10 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1rum s THR 180 Cb -0.17 -2.84 -0.06 0.00 0.01 0.00 0.00 72.50 69.45 1rum s THR 180 CO 0.11 0.51 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.75 1rum s LEU 181 N 0.10 2.39 0.70 4.42 1.43 0.04 -4.69 118.68 123.07 1rum s LEU 181 Ca 0.01 -1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 51.78 1rum s LEU 181 Cb -0.13 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.60 1rum s LEU 181 CO 0.02 -0.40 1.12 0.42 0.23 0.00 0.00 176.35 177.74 1rum s THR 182 N -3.16 3.12 0.23 5.49 -4.23 -1.26 -0.64 115.64 115.18 1rum s THR 182 Ca 0.29 0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1rum s THR 182 Cb 0.04 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1rum s THR 182 CO 0.11 -0.36 1.89 0.50 -0.54 0.00 0.00 174.62 176.22 1rum h LYS 183 N -0.33 1.09 -0.75 3.99 3.11 -1.35 -0.87 116.57 121.46 1rum h LYS 183 Ca -0.46 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.30 1rum h LYS 183 Cb 1.25 -0.25 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 1rum h LYS 183 CO 0.52 0.72 0.41 -0.44 -2.81 0.00 0.00 179.45 177.86 1rum h ASP 184 N 1.13 0.93 -0.51 4.20 3.32 -1.93 0.19 116.42 123.76 1rum h ASP 184 Ca 0.32 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1rum h ASP 184 Cb -0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1rum h ASP 184 CO -0.08 0.76 -0.14 -0.08 -1.72 0.00 0.00 179.24 177.98 1rum h GLU 185 N 1.03 1.00 -0.77 3.56 4.81 -1.86 -2.47 114.58 119.88 1rum h GLU 185 Ca 0.26 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1rum h GLU 185 Cb 0.03 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1rum h GLU 185 CO -0.04 1.06 0.51 -0.92 -0.73 0.00 0.00 179.01 178.89 1rum h TYR 186 N 0.88 0.97 0.00 0.92 3.20 -0.80 -2.65 116.97 119.49 1rum h TYR 186 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1rum h TYR 186 Cb 0.70 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1rum h TYR 186 CO 0.05 0.61 0.00 0.39 -1.64 0.00 0.00 178.16 177.57 1rum n GLU 187 N -4.55 0.01 0.09 1.82 -0.58 0.02 -2.52 120.64 114.94 1rum n GLU 187 Ca 0.08 0.09 0.05 0.00 -0.42 0.00 0.00 57.16 56.96 1rum n GLU 187 Cb 0.02 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.35 1rum n GLU 187 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1rum h ARG 188 N 0.00 0.00 -6.13 3.49 2.43 -1.08 -3.47 114.38 109.61 1rum h ARG 188 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1rum h ARG 188 Cb 0.43 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1rum h ARG 188 CO 0.00 0.22 -0.42 -1.01 -1.51 0.00 0.00 179.97 177.26 1rum s HIS 189 N -3.08 2.73 -0.13 2.20 3.76 -1.05 -5.08 115.29 114.64 1rum s HIS 189 Ca 0.00 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.38 1rum s HIS 189 Cb 0.08 -2.05 -0.06 0.00 1.11 0.00 0.00 32.58 31.67 1rum s HIS 189 CO 0.78 0.00 -0.17 0.09 -0.85 0.00 0.00 174.74 174.59 1rum n ASN 190 N -1.45 0.99 -4.57 1.40 5.03 -1.26 -4.75 115.26 110.65 1rum n ASN 190 Ca 0.02 0.17 -0.34 0.00 0.87 0.00 0.00 54.58 55.30 1rum n ASN 190 Cb 0.62 -0.41 -0.11 0.00 -1.02 0.00 0.00 39.78 38.86 1rum n ASN 190 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1rum s SER 191 N -6.18 4.63 -0.07 6.41 0.01 -1.26 -0.03 113.70 117.20 1rum s SER 191 Ca -0.18 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.07 1rum s SER 191 Cb 0.07 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.07 1rum s SER 191 CO 0.23 0.34 -0.18 -0.31 0.41 0.00 0.00 173.24 173.73 1rum s TYR 192 N -0.68 1.92 -0.02 2.43 1.51 -0.25 -0.37 117.35 121.89 1rum s TYR 192 Ca 0.10 -0.68 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1rum s TYR 192 Cb -0.11 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1rum s TYR 192 CO 0.02 -0.28 -0.05 0.99 -1.11 0.00 0.00 175.55 175.12 1rum s THR 193 N 0.31 0.49 -0.08 -0.71 2.01 -0.34 -1.34 115.64 115.98 1rum s THR 193 Ca -0.11 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1rum s THR 193 Cb -0.15 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.90 1rum s THR 193 CO 0.05 0.17 -0.23 0.00 -0.69 0.00 0.00 174.62 173.92 1rum s GLU 195 N 0.20 3.10 -0.24 0.00 2.02 0.27 -0.89 118.70 123.14 1rum s GLU 195 Ca -0.13 -0.82 -0.09 0.00 0.02 0.00 0.00 54.97 53.95 1rum s GLU 195 Cb -0.16 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 1rum s GLU 195 CO 0.06 0.04 0.13 0.00 0.02 0.00 0.00 175.26 175.51 1rum s ALA 196 N 0.72 3.42 -0.18 5.21 0.00 0.25 -1.03 121.76 130.15 1rum s ALA 196 Ca -0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1rum s ALA 196 Cb -0.16 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 1rum s ALA 196 CO 0.01 -0.32 -0.11 0.99 0.00 0.00 0.00 175.76 176.32 1rum s THR 197 N 1.31 2.94 0.02 0.00 2.01 0.88 -0.51 115.64 122.30 1rum s THR 197 Ca 0.06 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1rum s THR 197 Cb -0.15 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1rum s THR 197 CO 0.06 0.48 -0.09 -2.28 -0.69 0.00 0.00 174.62 172.10 1rum s HIS 198 N 1.08 0.80 0.61 4.92 2.46 -1.26 -1.34 115.29 122.56 1rum s HIS 198 Ca 0.00 -0.31 0.27 0.00 0.47 0.00 0.00 55.06 55.49 1rum s HIS 198 Cb -0.15 -0.48 1.33 0.00 -0.13 0.00 0.00 32.58 33.15 1rum s HIS 198 CO -0.03 -0.02 1.75 -0.22 -2.47 0.00 0.00 174.74 173.75 1rum h LYS 199 N 5.17 0.00 0.00 2.88 3.64 -1.94 -1.88 116.57 124.43 1rum h LYS 199 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1rum h LYS 199 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1rum h LYS 199 CO 0.45 0.00 -0.05 1.79 -2.27 0.00 0.00 179.45 179.37 1rum h THR 200 N 0.00 0.38 -2.72 1.00 1.35 -1.92 -3.43 112.91 107.57 1rum h THR 200 Ca 0.21 -0.26 -0.10 0.00 -0.55 0.00 0.00 66.41 65.71 1rum h THR 200 Cb 1.45 1.18 -0.20 0.00 -1.73 0.00 0.00 68.15 68.85 1rum h THR 200 CO -0.00 0.05 -0.15 -0.55 -0.25 0.00 0.00 175.52 174.62 1rum s SER 201 N -5.90 -0.35 0.38 5.36 0.15 -0.71 -4.99 113.70 107.64 1rum s SER 201 Ca -0.04 0.36 0.27 0.00 0.70 0.00 0.00 55.95 57.25 1rum s SER 201 Cb 0.13 0.46 0.93 0.00 -1.71 0.00 0.00 66.02 65.84 1rum s SER 201 CO 0.53 -0.44 1.79 0.71 1.20 0.00 0.00 173.24 177.03 1rum h THR 202 N 3.74 0.00 -3.50 6.45 1.35 -1.85 -3.40 112.91 115.71 1rum h THR 202 Ca -0.29 -0.53 -0.60 0.00 -0.55 0.00 0.00 66.41 64.44 1rum h THR 202 Cb 1.17 1.45 -0.11 0.00 -1.73 0.00 0.00 68.15 68.93 1rum h THR 202 CO 0.37 0.00 -0.05 -0.44 -0.25 0.00 0.00 175.52 175.15 1rum s SER 203 N -5.15 6.51 0.57 5.36 0.01 -1.26 -5.04 113.70 114.70 1rum s SER 203 Ca 0.05 0.61 -0.21 0.00 1.31 0.00 0.00 55.95 57.72 1rum s SER 203 Cb 0.09 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1rum s SER 203 CO 0.54 -0.20 1.27 -2.65 0.41 0.00 0.00 173.24 172.61 1rum n PRO 204 N 4.96 1.43 -3.07 12.44 -0.02 -1.26 -4.88 135.00 144.60 1rum n PRO 204 Ca -0.05 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 1rum n PRO 204 Cb 0.50 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1rum n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rum s ILE 205 N -1.34 4.98 -0.13 4.25 1.01 0.34 -4.88 121.20 125.42 1rum s ILE 205 Ca 0.74 1.25 -0.01 0.00 0.00 0.00 0.00 60.65 62.63 1rum s ILE 205 Cb -0.42 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1rum s ILE 205 CO 0.47 0.06 -0.11 -0.69 0.00 0.00 0.00 174.94 174.67 1rum s VAL 206 N 2.23 3.29 -0.05 2.92 1.01 -1.26 -0.59 120.40 127.96 1rum s VAL 206 Ca 0.29 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1rum s VAL 206 Cb -0.16 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1rum s VAL 206 CO 0.09 0.52 -0.14 -0.54 0.00 0.00 0.00 175.10 175.03 1rum s LYS 207 N 0.25 1.64 0.20 2.72 -0.14 -0.07 -5.00 119.74 119.33 1rum s LYS 207 Ca -0.07 -0.50 -0.01 0.00 -1.36 0.00 0.00 55.97 54.03 1rum s LYS 207 Cb -0.15 -1.41 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 1rum s LYS 207 CO 0.05 0.15 0.13 -1.54 -0.76 0.00 0.00 175.35 173.37 1rum s SER 208 N 0.27 0.16 0.16 2.83 1.04 -1.26 -0.64 113.70 116.26 1rum s SER 208 Ca -0.08 -1.37 -0.15 0.00 0.48 0.00 0.00 55.95 54.83 1rum s SER 208 Cb -0.12 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1rum s SER 208 CO 0.03 -0.84 0.42 0.72 0.98 0.00 0.00 173.24 174.55 1rum s PHE 209 N -4.15 -0.02 -0.17 5.02 -0.12 -0.45 -5.01 117.98 113.09 1rum s PHE 209 Ca 0.38 -0.33 -0.04 0.00 -0.05 0.00 0.00 56.93 56.89 1rum s PHE 209 Cb 0.07 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 1rum s PHE 209 CO 0.11 -0.80 -0.02 -0.80 -0.05 0.00 0.00 175.22 173.67 1rum s ASN 210 N -2.87 4.92 0.38 1.98 0.01 -1.26 -1.09 114.94 117.00 1rum s ASN 210 Ca 0.09 -0.11 -0.25 0.00 -0.71 0.00 0.00 52.86 51.88 1rum s ASN 210 Cb 0.01 -1.81 -0.12 0.00 0.41 0.00 0.00 41.25 39.74 1rum s ASN 210 CO -0.05 0.15 0.96 -1.14 -1.51 0.00 0.00 177.10 175.51 1rum n ARG 211 N 3.64 1.27 -0.94 -0.60 0.63 0.95 -1.65 116.66 119.95 1rum n ARG 211 Ca -0.17 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1rum n ARG 211 Cb 0.52 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.51 1rum n ARG 211 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1rum n ASN 212 N 0.82 -3.51 -4.49 6.15 4.05 -1.26 -4.97 115.26 112.05 1rum n ASN 212 Ca 0.10 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.80 1rum n ASN 212 Cb 0.37 -1.85 -0.13 0.00 1.23 0.00 0.00 39.78 39.40 1rum n ASN 212 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1rum s GLU 213 N -0.90 2.55 0.00 1.20 2.02 -0.66 -5.29 118.70 117.62 1rum s GLU 213 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1rum s GLU 213 Cb 0.00 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1rum s GLU 213 CO 0.00 0.63 0.34 0.00 0.02 0.00 0.00 175.26 176.25