#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 3.11 -0.00 1.55 0.11 -1.26 -4.37 120.40 119.53 1rum s VAL 2 Ca 0.00 1.07 0.03 0.00 -2.93 0.00 0.00 61.98 60.15 1rum s VAL 2 Cb 0.00 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1rum s VAL 2 CO 0.00 0.24 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.80 1rum s GLN 3 N -1.32 0.86 0.07 1.54 -0.21 0.36 -4.98 119.66 115.98 1rum s GLN 3 Ca 0.49 -0.43 0.08 0.00 0.02 0.00 0.00 55.36 55.52 1rum s GLN 3 Cb -0.36 -0.83 -0.03 0.00 1.00 0.00 0.00 33.01 32.79 1rum s GLN 3 CO 0.46 0.22 -0.22 -0.51 -2.12 0.00 0.00 175.29 173.12 1rum s LEU 4 N -0.39 2.22 -0.10 2.90 1.02 -1.26 -0.62 118.68 122.45 1rum s LEU 4 Ca 0.03 -0.60 -0.04 0.00 0.02 0.00 0.00 54.13 53.54 1rum s LEU 4 Cb -0.05 -1.03 0.05 0.00 0.02 0.00 0.00 46.19 45.18 1rum s LEU 4 CO -0.00 0.15 0.20 -1.10 0.02 0.00 0.00 176.35 175.62 1rum s GLN 5 N -1.48 0.08 0.35 1.70 -0.21 -0.67 -4.21 119.66 115.23 1rum s GLN 5 Ca 0.09 0.63 -0.24 0.00 0.02 0.00 0.00 55.36 55.86 1rum s GLN 5 Cb -0.09 -0.17 -0.10 0.00 1.00 0.00 0.00 33.01 33.64 1rum s GLN 5 CO 0.03 -0.29 0.93 -0.65 -2.12 0.00 0.00 175.29 173.19 1rum s GLN 6 N 2.28 4.44 0.09 2.91 1.11 -1.26 -0.86 119.66 128.36 1rum s GLN 6 Ca 0.02 1.22 -0.07 0.00 0.01 0.00 0.00 55.36 56.54 1rum s GLN 6 Cb -0.12 -2.58 -0.01 0.00 -1.01 0.00 0.00 33.01 29.28 1rum s GLN 6 CO -0.07 0.18 0.14 -1.54 0.01 0.00 0.00 175.29 174.01 1rum s SER 7 N -1.82 0.21 0.00 5.90 1.04 0.76 -4.89 113.70 114.88 1rum s SER 7 Ca 0.54 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1rum s SER 7 Cb -0.15 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1rum s SER 7 CO 0.20 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1rum n GLY 8 N -0.03 3.72 3.75 7.32 0.00 -1.26 -0.45 105.19 118.23 1rum n GLY 8 Ca -0.14 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1rum n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rum s PRO 9 N -2.44 4.11 0.06 1.61 0.02 -1.26 -4.91 135.00 132.20 1rum s PRO 9 Ca 0.00 2.60 0.25 0.00 0.02 0.00 0.00 61.00 63.87 1rum s PRO 9 Cb 0.00 -3.02 0.52 0.00 0.02 0.00 0.00 34.50 32.02 1rum s PRO 9 CO 0.00 -0.66 1.44 0.41 -0.33 0.00 0.00 177.00 177.86 1rum n GLY 10 N 2.30 -1.37 2.78 0.52 0.00 -1.26 -4.77 105.19 103.39 1rum n GLY 10 Ca 0.09 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1rum n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rum s LEU 11 N -3.60 0.69 -0.04 0.99 2.96 -1.26 -0.86 118.68 117.55 1rum s LEU 11 Ca 0.09 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1rum s LEU 11 Cb 0.16 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1rum s LEU 11 CO 0.69 -0.17 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.66 1rum s VAL 12 N 1.74 1.61 0.31 1.68 1.01 -0.40 -4.97 120.40 121.38 1rum s VAL 12 Ca 0.01 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 1rum s VAL 12 Cb -0.13 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 34.79 1rum s VAL 12 CO -0.04 0.46 0.97 -0.54 0.00 0.00 0.00 175.10 175.95 1rum s LYS 13 N -0.17 4.58 0.31 2.72 -0.14 -1.26 -1.21 119.74 124.57 1rum s LYS 13 Ca -0.00 1.43 -0.28 0.00 -1.36 0.00 0.00 55.97 55.76 1rum s LYS 13 Cb -0.11 -2.89 -0.13 0.00 -1.68 0.00 0.00 37.83 33.02 1rum s LYS 13 CO 0.02 0.26 1.03 -2.30 -0.76 0.00 0.00 175.35 173.60 1rum n PRO 14 N 0.70 1.43 -0.69 -1.68 -0.02 -1.26 -1.59 135.00 131.89 1rum n PRO 14 Ca 0.01 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1rum n PRO 14 Cb 0.49 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1rum n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1rum n SER 15 N 1.10 0.00 -1.40 2.55 3.41 0.48 -4.94 113.62 114.82 1rum n SER 15 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1rum n SER 15 Cb 0.33 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1rum n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rum n GLN 16 N -2.00 1.76 -4.52 4.33 1.13 -0.62 -4.17 117.38 113.30 1rum n GLN 16 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1rum n GLN 16 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.22 1rum n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1rum s SER 17 N -1.00 3.57 -0.05 1.08 0.01 -1.26 -1.38 113.70 114.67 1rum s SER 17 Ca 0.00 -0.59 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 1rum s SER 17 Cb 0.00 -0.42 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 1rum s SER 17 CO 0.00 0.21 0.48 -0.22 0.41 0.00 0.00 173.24 174.12 1rum s LEU 18 N -1.79 4.38 -0.11 2.44 0.20 -0.26 -4.91 118.68 118.63 1rum s LEU 18 Ca 0.15 0.94 -0.01 0.00 0.69 0.00 0.00 54.13 55.90 1rum s LEU 18 Cb -0.10 -2.70 0.03 0.00 -0.43 0.00 0.00 46.19 42.99 1rum s LEU 18 CO 0.06 0.14 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.80 1rum s SER 19 N -0.19 2.06 0.18 3.68 0.01 -1.26 -1.24 113.70 116.95 1rum s SER 19 Ca 0.26 -0.30 0.10 0.00 1.31 0.00 0.00 55.95 57.32 1rum s SER 19 Cb -0.16 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 1rum s SER 19 CO 0.13 -0.18 -0.21 -0.76 0.41 0.00 0.00 173.24 172.64 1rum s LEU 20 N 1.83 2.44 -0.02 2.44 1.43 0.26 -4.06 118.68 122.99 1rum s LEU 20 Ca 0.04 -0.86 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 1rum s LEU 20 Cb -0.13 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 1rum s LEU 20 CO -0.07 0.03 -0.25 -0.89 0.23 0.00 0.00 176.35 175.40 1rum s THR 21 N -1.88 2.13 -0.20 5.49 2.01 0.40 -1.19 115.64 122.39 1rum s THR 21 Ca 0.18 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1rum s THR 21 Cb -0.07 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1rum s THR 21 CO 0.08 0.57 -0.10 0.00 -0.69 0.00 0.00 174.62 174.48 1rum s THR 23 N 1.36 5.30 -0.17 0.00 2.01 -0.04 -1.72 115.64 122.38 1rum s THR 23 Ca 0.05 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 1rum s THR 23 Cb -0.14 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1rum s THR 23 CO -0.06 0.35 0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 1rum s VAL 24 N 1.07 4.89 0.12 3.82 1.01 -0.92 -1.67 120.40 128.73 1rum s VAL 24 Ca 0.07 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.14 1rum s VAL 24 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1rum s VAL 24 CO 0.05 0.48 -0.22 0.42 0.00 0.00 0.00 175.10 175.83 1rum s THR 25 N 0.18 1.89 0.00 3.92 -4.23 0.21 -4.79 115.64 112.82 1rum s THR 25 Ca 0.05 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1rum s THR 25 Cb -0.12 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1rum s THR 25 CO 0.00 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1rum n GLY 26 N 0.88 0.75 3.62 3.99 0.00 -1.26 -0.48 105.19 112.68 1rum n GLY 26 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1rum n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rum s TYR 27 N -2.59 -0.56 0.20 1.61 6.14 -1.26 -4.30 117.35 116.58 1rum s TYR 27 Ca 0.00 1.33 -0.30 0.00 0.64 0.00 0.00 57.07 58.74 1rum s TYR 27 Cb 0.00 0.35 -0.08 0.00 0.42 0.00 0.00 41.96 42.65 1rum s TYR 27 CO 0.00 -0.30 0.97 0.45 0.64 0.00 0.00 175.55 177.31 1rum s SER 28 N 0.09 7.54 0.00 4.32 0.15 -1.26 -4.93 113.70 119.61 1rum s SER 28 Ca 0.01 1.93 0.16 0.00 0.70 0.00 0.00 55.95 58.75 1rum s SER 28 Cb -0.04 -2.60 0.69 0.00 -1.71 0.00 0.00 66.02 62.36 1rum s SER 28 CO -0.03 0.03 1.49 2.30 1.20 0.00 0.00 173.24 178.24 1rum n ILE 29 N 1.97 0.85 0.82 6.45 -5.35 -1.26 -2.02 119.36 120.83 1rum n ILE 29 Ca -0.00 0.21 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 1rum n ILE 29 Cb 0.47 -0.95 0.23 0.00 -1.74 0.00 0.00 39.64 37.66 1rum n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1rum n THR 30 N -1.46 0.46 -5.25 7.28 -2.24 -1.26 -4.26 114.28 107.55 1rum n THR 30 Ca 0.05 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1rum n THR 30 Cb 0.17 0.33 -0.17 0.00 -2.10 0.00 0.00 70.33 68.56 1rum n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rum s SER 31 N -1.16 3.08 0.00 3.42 0.01 -0.86 -4.69 113.70 113.50 1rum s SER 31 Ca 0.29 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1rum s SER 31 Cb 0.15 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1rum s SER 31 CO 0.21 0.23 0.00 0.47 0.41 0.00 0.00 173.24 174.56 1rum n ASP 32 N 3.06 0.00 -4.95 2.44 8.00 -1.26 -4.83 116.55 119.01 1rum n ASP 32 Ca -0.18 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.09 1rum n ASP 32 Cb 0.52 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1rum n ASP 32 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rum s PHE 33 N -0.00 3.48 -0.17 1.24 0.40 -1.26 -0.47 117.98 121.19 1rum s PHE 33 Ca 0.00 0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.40 1rum s PHE 33 Cb 0.00 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 1rum s PHE 33 CO 0.00 0.32 0.24 0.00 0.70 0.00 0.00 175.22 176.47 1rum s ALA 34 N -2.07 3.63 -0.40 5.36 0.00 0.16 -0.86 121.76 127.58 1rum s ALA 34 Ca 0.37 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 1rum s ALA 34 Cb -0.10 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.77 1rum s ALA 34 CO 0.31 0.12 0.22 -1.58 0.00 0.00 0.00 175.76 174.84 1rum s TRP 35 N 0.41 3.30 0.12 0.00 0.52 0.22 -1.99 118.94 121.52 1rum s TRP 35 Ca 0.14 -1.36 0.02 0.00 0.02 0.00 0.00 56.10 54.92 1rum s TRP 35 Cb -0.12 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 1rum s TRP 35 CO 0.02 -0.78 0.22 -0.80 0.02 0.00 0.00 176.95 175.64 1rum s ASN 35 N 1.86 6.15 -0.12 2.95 0.01 0.45 -0.59 114.94 125.64 1rum s ASN 35 Ca 0.02 0.13 -0.01 0.00 -0.71 0.00 0.00 52.86 52.30 1rum s ASN 35 Cb -0.21 -1.81 -0.02 0.00 0.41 0.00 0.00 41.25 39.61 1rum s ASN 35 CO 0.03 0.09 -0.11 0.26 -1.51 0.00 0.00 177.10 175.87 1rum s TRP 36 N -1.65 2.86 -0.01 2.20 0.52 -0.17 -1.02 118.94 121.67 1rum s TRP 36 Ca 0.34 -0.46 0.02 0.00 0.02 0.00 0.00 56.10 56.01 1rum s TRP 36 Cb -0.11 -1.84 -0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1rum s TRP 36 CO 0.27 -0.09 -0.07 0.42 0.02 0.00 0.00 176.95 177.50 1rum s ILE 37 N 0.15 0.55 0.16 2.03 1.01 0.18 -0.82 121.20 124.46 1rum s ILE 37 Ca -0.05 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1rum s ILE 37 Cb -0.15 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1rum s ILE 37 CO 0.04 0.16 -0.18 0.00 0.00 0.00 0.00 174.94 174.96 1rum s ARG 38 N -0.10 1.24 -0.11 2.79 1.70 -0.42 -0.31 118.95 123.74 1rum s ARG 38 Ca 0.02 -1.38 0.03 0.00 -0.47 0.00 0.00 55.73 53.92 1rum s ARG 38 Cb -0.03 -1.28 0.01 0.00 -0.57 0.00 0.00 34.95 33.08 1rum s ARG 38 CO -0.00 0.26 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.15 1rum s GLN 39 N -2.76 2.59 0.50 3.89 0.74 0.45 -0.52 119.66 124.55 1rum s GLN 39 Ca 0.15 -0.71 0.08 0.00 0.05 0.00 0.00 55.36 54.93 1rum s GLN 39 Cb -0.06 -2.08 0.04 0.00 1.10 0.00 0.00 33.01 32.01 1rum s GLN 39 CO 0.06 0.03 0.58 -0.06 -0.55 0.00 0.00 175.29 175.35 1rum s PHE 40 N 0.71 2.08 0.79 1.67 0.08 0.57 -1.32 117.98 122.56 1rum s PHE 40 Ca -0.11 -0.61 -0.14 0.00 0.12 0.00 0.00 56.93 56.18 1rum s PHE 40 Cb -0.16 -2.19 0.06 0.00 -0.57 0.00 0.00 43.02 40.16 1rum s PHE 40 CO 0.02 -0.62 1.11 -2.30 -0.10 0.00 0.00 175.22 173.33 1rum n PRO 41 N -1.91 0.27 -2.01 0.24 -0.02 -1.26 -2.72 135.00 127.60 1rum n PRO 41 Ca 0.08 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1rum n PRO 41 Cb 0.61 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1rum n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rum n GLY 42 N 0.74 0.57 3.63 -1.23 0.00 -1.26 -3.48 105.19 104.16 1rum n GLY 42 Ca 0.13 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1rum n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rum n ASN 43 N 1.79 -3.62 -4.35 1.61 3.02 -1.25 -4.96 115.26 107.51 1rum n ASN 43 Ca 0.00 -0.67 -0.36 0.00 -0.03 0.00 0.00 54.58 53.52 1rum n ASN 43 Cb 0.48 -4.64 -0.13 0.00 -0.61 0.00 0.00 39.78 34.88 1rum n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1rum s LYS 44 N -6.01 3.26 -0.13 3.52 2.20 -1.10 -5.00 119.74 116.48 1rum s LYS 44 Ca 0.29 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 55.13 1rum s LYS 44 Cb -0.14 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1rum s LYS 44 CO 0.77 -0.33 0.04 -0.51 -0.36 0.00 0.00 175.35 174.96 1rum s LEU 45 N 1.51 3.74 -0.12 5.43 1.43 -1.26 -0.32 118.68 129.09 1rum s LEU 45 Ca 0.04 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1rum s LEU 45 Cb -0.16 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1rum s LEU 45 CO 0.01 0.29 -0.15 -0.70 0.23 0.00 0.00 176.35 176.03 1rum s GLU 46 N -0.35 2.26 -0.05 1.70 2.12 0.33 -4.99 118.70 119.71 1rum s GLU 46 Ca 0.08 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1rum s GLU 46 Cb -0.12 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 1rum s GLU 46 CO 0.02 -0.09 1.23 -0.46 -0.54 0.00 0.00 175.26 175.42 1rum s TRP 47 N 1.06 3.13 -0.23 5.30 -0.00 -1.26 -1.30 118.94 125.64 1rum s TRP 47 Ca -0.05 1.15 -0.07 0.00 -0.00 0.00 0.00 56.10 57.13 1rum s TRP 47 Cb -0.15 -3.46 -0.18 0.00 -0.00 0.00 0.00 33.47 29.69 1rum s TRP 47 CO -0.03 -1.49 -0.09 -1.33 -0.00 0.00 0.00 176.95 174.01 1rum n MET 48 N 5.27 0.64 -3.60 5.86 2.81 0.00 -4.51 117.12 123.59 1rum n MET 48 Ca 0.11 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 1rum n MET 48 Cb 0.46 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1rum n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rum n GLY 49 N 1.82 -2.11 3.18 3.03 0.00 -1.12 -0.50 105.19 109.49 1rum n GLY 49 Ca -0.44 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1rum n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rum s TYR 50 N -2.12 0.99 -0.07 1.61 -0.85 0.10 -1.00 117.35 116.02 1rum s TYR 50 Ca 0.00 -1.15 0.05 0.00 -0.52 0.00 0.00 57.07 55.44 1rum s TYR 50 Cb 0.00 -0.56 -0.00 0.00 0.38 0.00 0.00 41.96 41.77 1rum s TYR 50 CO 0.00 -0.40 -0.21 -1.50 -1.52 0.00 0.00 175.55 171.92 1rum s ILE 51 N -3.90 1.75 0.20 -3.49 2.07 0.24 -1.90 121.20 116.17 1rum s ILE 51 Ca 0.24 -0.88 0.03 0.00 -1.41 0.00 0.00 60.65 58.63 1rum s ILE 51 Cb 0.07 -1.51 0.03 0.00 0.13 0.00 0.00 42.46 41.18 1rum s ILE 51 CO 0.02 0.49 0.28 -0.46 -1.91 0.00 0.00 174.94 173.37 1rum n ASN 52 N 3.27 0.68 0.31 4.50 6.94 0.11 -0.61 115.26 130.46 1rum n ASN 52 Ca -0.19 -1.50 0.20 0.00 -0.02 0.00 0.00 54.58 53.07 1rum n ASN 52 Cb 0.52 -0.15 0.99 0.00 -2.36 0.00 0.00 39.78 38.78 1rum n ASN 52 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1rum h TYR 53 N -0.02 0.00 -0.02 -2.53 -0.00 -1.18 -0.73 116.97 112.49 1rum h TYR 53 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.64 1rum h TYR 53 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.15 1rum h TYR 53 CO 0.00 0.00 -0.12 -1.13 -0.00 0.00 0.00 178.16 176.91 1rum n SER 54 N -3.06 2.14 0.00 0.10 3.41 -1.26 -4.35 113.62 110.60 1rum n SER 54 Ca -0.01 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1rum n SER 54 Cb 0.17 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1rum n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rum n GLY 55 N 1.31 0.71 3.76 5.00 0.00 -0.28 -5.06 105.19 110.63 1rum n GLY 55 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1rum n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rum s PHE 56 N -2.55 3.36 0.32 1.61 5.36 -1.26 -4.69 117.98 120.14 1rum s PHE 56 Ca 0.00 1.59 0.06 0.00 -0.96 0.00 0.00 56.93 57.62 1rum s PHE 56 Cb 0.00 -3.43 -0.06 0.00 -0.34 0.00 0.00 43.02 39.18 1rum s PHE 56 CO 0.00 -1.06 -0.03 0.95 -1.46 0.00 0.00 175.22 173.62 1rum s THR 57 N -1.17 1.70 -0.19 0.12 -4.23 -1.26 0.06 115.64 110.67 1rum s THR 57 Ca 0.47 -2.09 -0.22 0.00 -1.18 0.00 0.00 61.69 58.67 1rum s THR 57 Cb -0.35 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 70.89 1rum s THR 57 CO 0.45 -0.16 0.59 -0.55 -0.54 0.00 0.00 174.62 174.41 1rum s SER 58 N -3.53 -0.60 0.08 3.99 0.15 -0.80 -4.98 113.70 108.02 1rum s SER 58 Ca 0.33 1.06 -0.06 0.00 0.70 0.00 0.00 55.95 57.97 1rum s SER 58 Cb 0.06 1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 65.42 1rum s SER 58 CO 0.15 -0.28 0.13 -1.38 1.20 0.00 0.00 173.24 173.06 1rum s HIS 59 N -0.02 0.29 0.10 3.44 -3.43 -1.26 -0.72 115.29 113.69 1rum s HIS 59 Ca -0.03 -0.74 -0.31 0.00 -0.80 0.00 0.00 55.06 53.18 1rum s HIS 59 Cb -0.04 -0.16 -0.08 0.00 -1.43 0.00 0.00 32.58 30.87 1rum s HIS 59 CO 0.02 -0.51 1.47 1.21 -2.00 0.00 0.00 174.74 174.94 1rum s ASN 60 N -2.89 6.74 0.63 7.38 3.84 0.34 -4.88 114.94 126.10 1rum s ASN 60 Ca 0.07 2.38 0.32 0.00 0.21 0.00 0.00 52.86 55.85 1rum s ASN 60 Cb 0.06 -2.58 1.77 0.00 -0.55 0.00 0.00 41.25 39.95 1rum s ASN 60 CO -0.10 -0.74 1.99 -0.65 -2.79 0.00 0.00 177.10 174.81 1rum h PRO 61 N 7.22 0.00 0.00 0.43 0.11 -1.95 -0.80 132.00 137.01 1rum h PRO 61 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1rum h PRO 61 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rum h PRO 61 CO 0.89 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.34 1rum h SER 62 N 0.00 0.00 -0.25 -2.05 4.64 -1.96 -1.67 113.55 112.26 1rum h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rum h SER 62 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1rum h SER 62 CO 0.00 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 1rum n LEU 63 N -3.31 3.07 -0.23 5.97 4.77 -0.31 -5.02 117.00 121.94 1rum n LEU 63 Ca -0.03 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1rum n LEU 63 Cb 0.09 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1rum n LEU 63 CO 0.23 0.61 0.00 2.29 -1.33 0.00 0.00 177.39 179.19 1rum n LYS 64 N 1.28 0.00 -0.30 3.23 2.85 -0.63 -0.86 118.16 123.72 1rum n LYS 64 Ca 0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1rum n LYS 64 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 1rum n LYS 64 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1rum n SER 65 N 0.56 0.00 0.07 -5.58 2.88 -1.26 -4.80 113.62 105.49 1rum n SER 65 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1rum n SER 65 Cb 0.00 -0.61 0.27 0.00 -0.75 0.00 0.00 64.21 63.12 1rum n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rum n ARG 66 N -2.00 0.26 -4.68 -1.46 1.74 -0.04 -4.92 116.66 105.55 1rum n ARG 66 Ca 0.00 0.13 -0.34 0.00 -0.77 0.00 0.00 57.85 56.87 1rum n ARG 66 Cb 0.00 -1.71 -0.12 0.00 -1.02 0.00 0.00 32.46 29.61 1rum n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1rum s ILE 67 N -3.13 3.54 -0.08 0.55 2.07 -1.26 -0.48 121.20 122.42 1rum s ILE 67 Ca 0.08 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.81 1rum s ILE 67 Cb 0.13 -2.44 0.01 0.00 0.13 0.00 0.00 42.46 40.29 1rum s ILE 67 CO 0.67 0.59 -0.14 -0.44 -1.91 0.00 0.00 174.94 173.71 1rum s SER 68 N -0.69 2.03 -0.16 4.50 0.01 0.18 -5.00 113.70 114.57 1rum s SER 68 Ca 0.11 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1rum s SER 68 Cb -0.11 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.19 1rum s SER 68 CO 0.01 0.05 -0.18 -0.63 0.41 0.00 0.00 173.24 172.90 1rum s ILE 69 N 0.67 2.38 0.37 1.44 1.01 -1.26 -0.99 121.20 124.82 1rum s ILE 69 Ca -0.14 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.71 1rum s ILE 69 Cb -0.16 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1rum s ILE 69 CO 0.04 0.53 0.24 0.42 0.00 0.00 0.00 174.94 176.17 1rum s THR 70 N 0.91 0.16 0.17 2.92 -4.23 -0.97 -4.90 115.64 109.70 1rum s THR 70 Ca -0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1rum s THR 70 Cb -0.15 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1rum s THR 70 CO -0.03 0.00 0.34 0.00 -0.54 0.00 0.00 174.62 174.39 1rum s ARG 71 N -3.48 1.20 -0.26 3.99 1.70 -1.26 -0.75 118.95 120.09 1rum s ARG 71 Ca 0.34 -1.09 -0.02 0.00 -0.47 0.00 0.00 55.73 54.49 1rum s ARG 71 Cb 0.02 0.41 0.08 0.00 -0.57 0.00 0.00 34.95 34.89 1rum s ARG 71 CO 0.24 -0.46 0.08 0.34 -1.08 0.00 0.00 175.30 174.42 1rum s ASP 72 N -2.94 3.49 0.46 -2.89 -1.08 0.07 -4.99 116.67 108.78 1rum s ASP 72 Ca 0.15 -1.24 0.25 0.00 -0.52 0.00 0.00 52.55 51.19 1rum s ASP 72 Cb 0.02 -0.65 0.96 0.00 -1.46 0.00 0.00 42.92 41.79 1rum s ASP 72 CO -0.01 -0.38 1.84 0.71 0.52 0.00 0.00 175.17 177.85 1rum h THR 73 N 6.48 0.46 0.00 1.71 1.35 -1.97 -1.30 112.91 119.64 1rum h THR 73 Ca -0.16 -1.04 -0.05 0.00 -0.55 0.00 0.00 66.41 64.62 1rum h THR 73 Cb 1.06 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1rum h THR 73 CO 0.41 0.19 -0.22 0.77 -0.25 0.00 0.00 175.52 176.42 1rum h SER 74 N 0.00 0.00 -0.01 5.36 4.64 -1.95 -2.75 113.55 118.83 1rum h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rum h SER 74 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1rum h SER 74 CO 0.02 0.22 -0.46 0.29 -0.87 0.00 0.00 176.83 176.03 1rum n LYS 75 N -3.52 1.35 -3.84 4.77 5.02 -0.86 -4.99 118.16 116.10 1rum n LYS 75 Ca -0.01 -0.85 -0.26 0.00 -2.02 0.00 0.00 58.31 55.18 1rum n LYS 75 Cb 0.38 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1rum n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rum n ASN 76 N -0.18 -2.72 -4.24 4.39 5.15 -0.55 -4.84 115.26 112.27 1rum n ASN 76 Ca 0.08 -0.83 -0.22 0.00 -0.60 0.00 0.00 54.58 53.01 1rum n ASN 76 Cb 0.41 -3.83 -0.12 0.00 -0.53 0.00 0.00 39.78 35.70 1rum n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rum s GLN 77 N -6.35 1.03 0.25 1.20 -0.21 -0.98 -2.18 119.66 112.42 1rum s GLN 77 Ca 0.31 -1.06 0.06 0.00 0.02 0.00 0.00 55.36 54.69 1rum s GLN 77 Cb -0.16 -1.19 -0.05 0.00 1.00 0.00 0.00 33.01 32.61 1rum s GLN 77 CO 0.83 0.28 -0.05 -0.59 -2.12 0.00 0.00 175.29 173.63 1rum s PHE 78 N -1.16 1.76 0.06 0.91 -0.71 -0.70 -0.75 117.98 117.39 1rum s PHE 78 Ca 0.03 -0.76 0.01 0.00 -1.04 0.00 0.00 56.93 55.18 1rum s PHE 78 Cb -0.10 -0.98 -0.03 0.00 -1.21 0.00 0.00 43.02 40.70 1rum s PHE 78 CO 0.03 0.18 -0.06 -0.06 -1.34 0.00 0.00 175.22 173.97 1rum s PHE 79 N -3.15 0.69 -0.08 3.49 0.08 0.07 -0.19 117.98 118.88 1rum s PHE 79 Ca 0.27 -0.71 0.04 0.00 0.12 0.00 0.00 56.93 56.65 1rum s PHE 79 Cb 0.04 -0.42 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 1rum s PHE 79 CO 0.10 -0.15 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.69 1rum s LEU 80 N -2.23 1.94 -0.10 -0.37 2.96 -0.34 -2.30 118.68 118.24 1rum s LEU 80 Ca -0.01 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1rum s LEU 80 Cb -0.03 -1.20 0.01 0.00 0.50 0.00 0.00 46.19 45.47 1rum s LEU 80 CO -0.03 0.12 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.38 1rum s GLN 81 N 0.41 2.28 -0.19 1.98 0.74 -0.16 -0.58 119.66 124.14 1rum s GLN 81 Ca -0.16 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1rum s GLN 81 Cb -0.17 -1.88 0.04 0.00 1.10 0.00 0.00 33.01 32.10 1rum s GLN 81 CO 0.07 -0.00 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.55 1rum s LEU 82 N 0.81 2.13 0.00 3.68 2.96 -0.37 -0.65 118.68 127.24 1rum s LEU 82 Ca -0.10 -0.85 0.04 0.00 -0.22 0.00 0.00 54.13 53.00 1rum s LEU 82 Cb -0.16 -1.14 0.10 0.00 0.50 0.00 0.00 46.19 45.49 1rum s LEU 82 CO 0.01 -0.16 0.71 -0.46 -1.32 0.00 0.00 176.35 175.13 1rum n ASN 82 N 4.73 1.39 -4.03 3.68 2.04 0.37 -1.10 115.26 122.33 1rum n ASN 82 Ca -0.14 -2.07 -0.30 0.00 -0.44 0.00 0.00 54.58 51.64 1rum n ASN 82 Cb 0.47 -0.42 -0.01 0.00 -2.53 0.00 0.00 39.78 37.28 1rum n ASN 82 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1rum n SER 82 N -2.69 -2.09 -4.79 0.53 7.64 -0.95 -4.88 113.62 106.39 1rum n SER 82 Ca 0.13 -0.97 -0.33 0.00 1.01 0.00 0.00 58.87 58.72 1rum n SER 82 Cb 0.47 -3.12 0.02 0.00 -1.01 0.00 0.00 64.21 60.58 1rum n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1rum s VAL 82 N -3.61 3.61 0.36 0.44 -7.23 -0.48 -4.68 120.40 108.81 1rum s VAL 82 Ca 0.36 0.76 0.04 0.00 -1.81 0.00 0.00 61.98 61.33 1rum s VAL 82 Cb -0.19 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 1rum s VAL 82 CO 0.89 -0.45 0.13 0.42 -0.31 0.00 0.00 175.10 175.78 1rum s THR 83 N -2.41 0.58 0.61 5.32 -4.23 -1.26 -0.39 115.64 113.87 1rum s THR 83 Ca 0.65 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.48 1rum s THR 83 Cb -0.18 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.56 1rum s THR 83 CO 0.38 0.00 2.18 0.71 -0.54 0.00 0.00 174.62 177.35 1rum h THR 84 N 1.98 0.36 0.00 3.99 1.35 -1.97 0.20 112.91 118.81 1rum h THR 84 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1rum h THR 84 Cb 1.26 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1rum h THR 84 CO 0.57 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.22 1rum n GLU 85 N -3.60 0.04 -0.02 4.72 1.02 -1.26 -1.86 120.64 119.67 1rum n GLU 85 Ca -0.01 0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.53 1rum n GLU 85 Cb 0.22 -1.57 0.48 0.00 -0.02 0.00 0.00 31.44 30.55 1rum n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rum n ASP 86 N -1.65 1.56 -4.68 1.62 8.00 0.69 -4.88 116.55 117.21 1rum n ASP 86 Ca 0.04 -1.56 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 1rum n ASP 86 Cb 0.20 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1rum n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rum s THR 87 N -1.94 3.19 0.02 -3.53 2.01 -0.78 -4.82 115.64 109.80 1rum s THR 87 Ca 0.36 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1rum s THR 87 Cb 0.20 -3.35 0.10 0.00 0.01 0.00 0.00 72.50 69.46 1rum s THR 87 CO 0.31 -0.01 1.16 0.00 -0.69 0.00 0.00 174.62 175.39 1rum s ALA 88 N 3.00 -2.03 -0.16 7.40 0.00 -0.90 -4.88 121.76 124.19 1rum s ALA 88 Ca 0.74 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 1rum s ALA 88 Cb -0.38 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1rum s ALA 88 CO 0.32 -1.00 0.49 0.99 0.00 0.00 0.00 175.76 176.56 1rum s THR 89 N -2.72 5.15 -0.21 0.00 2.01 -0.43 -1.12 115.64 118.32 1rum s THR 89 Ca 0.13 0.94 -0.10 0.00 0.31 0.00 0.00 61.69 62.98 1rum s THR 89 Cb 0.02 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1rum s THR 89 CO -0.02 0.25 0.12 -0.31 -0.69 0.00 0.00 174.62 173.97 1rum s TYR 90 N 1.16 3.34 0.05 4.92 1.51 0.37 -0.41 117.35 128.29 1rum s TYR 90 Ca 0.25 0.23 0.09 0.00 -1.01 0.00 0.00 57.07 56.63 1rum s TYR 90 Cb -0.15 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1rum s TYR 90 CO 0.10 0.18 -0.26 0.71 -1.11 0.00 0.00 175.55 175.18 1rum s TYR 91 N 0.58 2.35 0.11 2.71 2.02 0.58 -0.91 117.35 124.79 1rum s TYR 91 Ca 0.07 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1rum s TYR 91 Cb -0.12 -1.40 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 1rum s TYR 91 CO 0.00 0.14 0.29 0.00 -1.57 0.00 0.00 175.55 174.42 1rum s ALA 93 N -1.61 -1.60 -0.15 0.00 0.00 -0.19 -0.49 121.76 117.71 1rum s ALA 93 Ca 0.37 2.09 -0.10 0.00 0.00 0.00 0.00 51.96 54.32 1rum s ALA 93 Cb -0.12 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 1rum s ALA 93 CO 0.27 -0.44 0.19 0.20 0.00 0.00 0.00 175.76 175.99 1rum s GLY 94 N 1.79 2.15 0.02 0.00 0.00 0.34 -0.41 107.32 111.21 1rum s GLY 94 Ca -0.09 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.11 1rum s GLY 94 CO -0.17 0.06 -0.18 1.08 0.00 0.00 0.00 173.10 173.88 1rum s LEU 95 N -0.14 2.13 0.33 0.66 1.02 -0.84 -1.06 118.68 120.77 1rum s LEU 95 Ca 0.13 -0.44 -0.29 0.00 0.02 0.00 0.00 54.13 53.55 1rum s LEU 95 Cb -0.12 -0.87 -0.10 0.00 0.02 0.00 0.00 46.19 45.11 1rum s LEU 95 CO 0.02 0.15 1.40 -0.76 0.02 0.00 0.00 176.35 177.18 1rum s LEU 96 N -0.93 4.38 0.27 1.79 1.43 0.15 -0.67 118.68 125.10 1rum s LEU 96 Ca 0.06 2.80 -0.02 0.00 -1.03 0.00 0.00 54.13 55.94 1rum s LEU 96 Cb -0.08 -3.65 0.36 0.00 0.03 0.00 0.00 46.19 42.86 1rum s LEU 96 CO 0.01 -0.69 1.83 -0.25 0.23 0.00 0.00 176.35 177.48 1rum h TRP 97 N 3.69 0.93 -0.20 0.29 2.91 -1.05 -3.10 115.95 119.42 1rum h TRP 97 Ca -0.49 -0.07 -0.10 0.00 1.13 0.00 0.00 58.89 59.35 1rum h TRP 97 Cb 1.23 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 29.59 1rum h TRP 97 CO 0.56 0.75 -0.32 -0.92 -1.03 0.00 0.00 178.44 177.47 1rum h TYR 98 N 0.88 0.48 0.00 2.65 3.20 -1.90 -3.50 116.97 118.78 1rum h TYR 98 Ca 0.20 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1rum h TYR 98 Cb 0.25 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1rum h TYR 98 CO 0.02 0.70 0.00 -0.40 -1.64 0.00 0.00 178.16 176.83 1rum n ASP 99 N -4.08 -0.19 0.00 -2.11 5.68 -1.17 -5.26 116.55 109.42 1rum n ASP 99 Ca -0.01 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1rum n ASP 99 Cb 0.44 0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 1rum n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rum n GLY 100 N -0.01 0.39 2.42 6.12 0.00 -1.26 -4.96 105.19 107.88 1rum n GLY 100 Ca 0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 1rum n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rum n ALA 100 N -0.96 -0.56 -1.67 4.61 0.00 -1.26 -0.68 120.51 119.98 1rum n ALA 100 Ca 0.00 0.19 -0.56 0.00 0.00 0.00 0.00 53.44 53.07 1rum n ALA 100 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.23 1rum n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rum n GLY 101 N -0.93 0.69 2.87 0.00 0.00 -1.25 -4.75 105.19 101.81 1rum n GLY 101 Ca -0.24 0.86 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 1rum n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rum s SER 102 N 2.54 1.74 0.09 1.61 0.01 -0.22 -4.97 113.70 114.50 1rum s SER 102 Ca 0.94 -0.20 0.07 0.00 1.31 0.00 0.00 55.95 58.07 1rum s SER 102 Cb -1.06 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1rum s SER 102 CO 0.61 -0.12 -0.09 0.26 0.41 0.00 0.00 173.24 174.31 1rum s TRP 103 N 1.57 2.78 1.16 2.43 0.52 -1.26 -0.51 118.94 125.62 1rum s TRP 103 Ca 0.00 -0.13 -0.19 0.00 0.02 0.00 0.00 56.10 55.80 1rum s TRP 103 Cb -0.13 -1.46 0.28 0.00 -1.15 0.00 0.00 33.47 31.01 1rum s TRP 103 CO -0.05 0.42 1.18 0.20 0.02 0.00 0.00 176.95 178.73 1rum s GLY 104 N -2.14 1.66 0.55 0.98 0.00 0.35 -4.63 107.32 104.08 1rum s GLY 104 Ca 0.21 -1.12 0.34 0.00 0.00 0.00 0.00 44.72 44.15 1rum s GLY 104 CO 0.14 -0.23 2.01 0.06 0.00 0.00 0.00 173.10 175.08 1rum h GLN 105 N -2.41 0.00 0.00 2.90 -0.00 -1.91 -3.46 115.11 110.24 1rum h GLN 105 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1rum h GLN 105 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1rum h GLN 105 CO 0.31 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.55 1rum n GLY 106 N -0.10 -1.22 3.05 0.06 0.00 -1.26 -5.05 105.19 100.67 1rum n GLY 106 Ca 0.00 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 1rum n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rum s THR 107 N -2.30 1.23 0.06 2.61 -1.32 -0.09 -4.92 115.64 110.92 1rum s THR 107 Ca 0.00 -0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 59.63 1rum s THR 107 Cb 0.00 -1.11 -0.05 0.00 -1.51 0.00 0.00 72.50 69.83 1rum s THR 107 CO 0.00 0.38 1.11 -0.22 -2.21 0.00 0.00 174.62 173.67 1rum s LEU 108 N 0.57 4.39 -0.18 9.08 2.96 -1.26 -0.48 118.68 133.76 1rum s LEU 108 Ca -0.14 1.91 -0.00 0.00 -0.22 0.00 0.00 54.13 55.68 1rum s LEU 108 Cb -0.15 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1rum s LEU 108 CO 0.04 -0.35 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.87 1rum s VAL 109 N 0.80 2.47 -0.23 1.68 1.01 -0.27 -4.52 120.40 121.33 1rum s VAL 109 Ca 0.55 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1rum s VAL 109 Cb -0.27 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1rum s VAL 109 CO 0.30 0.51 0.13 -0.89 0.00 0.00 0.00 175.10 175.14 1rum s THR 110 N 1.25 5.04 -0.41 3.92 2.01 -0.04 -2.11 115.64 125.29 1rum s THR 110 Ca 0.03 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.94 1rum s THR 110 Cb -0.14 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1rum s THR 110 CO -0.08 0.36 0.34 -0.69 -0.69 0.00 0.00 174.62 173.86 1rum s VAL 111 N 1.08 5.20 -0.03 3.82 1.01 -1.26 -1.28 120.40 128.95 1rum s VAL 111 Ca 0.06 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1rum s VAL 111 Cb -0.14 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.35 1rum s VAL 111 CO 0.04 -0.34 0.69 -0.55 0.00 0.00 0.00 175.10 174.94 1rum s SER 112 N 1.72 -0.62 0.00 3.32 0.15 -0.35 -4.42 113.70 113.50 1rum s SER 112 Ca 0.07 0.59 0.27 0.00 0.70 0.00 0.00 55.95 57.58 1rum s SER 112 Cb -0.18 0.53 0.89 0.00 -1.71 0.00 0.00 66.02 65.54 1rum s SER 112 CO 0.11 -0.64 1.65 0.00 1.20 0.00 0.00 173.24 175.56 1rum n ALA 113 N 0.71 2.96 -1.62 5.45 0.00 -1.26 -4.19 120.51 122.55 1rum n ALA 113 Ca -0.18 -0.38 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 1rum n ALA 113 Cb 0.58 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.88 1rum n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rum s ALA 114 N -2.44 2.58 0.17 0.00 0.00 -1.26 -4.99 121.76 115.82 1rum s ALA 114 Ca 0.27 0.64 -0.25 0.00 0.00 0.00 0.00 51.96 52.62 1rum s ALA 114 Cb 0.20 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 1rum s ALA 114 CO 0.49 -1.04 0.77 -1.59 0.00 0.00 0.00 175.76 174.39 1rum s LYS 115 N -3.78 4.56 0.23 0.00 -2.85 -1.26 -5.00 119.74 111.64 1rum s LYS 115 Ca 0.69 1.15 -0.32 0.00 -1.00 0.00 0.00 55.97 56.50 1rum s LYS 115 Cb -0.21 -3.26 -0.12 0.00 -2.06 0.00 0.00 37.83 32.18 1rum s LYS 115 CO 0.35 0.57 1.67 2.41 0.10 0.00 0.00 175.35 180.45 1rum n THR 116 N 1.58 0.29 -3.75 3.79 -1.04 -1.26 -4.67 114.28 109.22 1rum n THR 116 Ca -0.06 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.05 61.74 1rum n THR 116 Cb 0.49 -1.92 -0.15 0.00 -1.82 0.00 0.00 70.33 66.93 1rum n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1rum s THR 117 N 0.81 -0.06 0.44 12.58 2.01 0.50 -4.93 115.64 126.99 1rum s THR 117 Ca 0.72 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.70 1rum s THR 117 Cb -0.53 -0.17 -0.08 0.00 0.01 0.00 0.00 72.50 71.73 1rum s THR 117 CO 0.37 0.08 1.07 0.00 -0.69 0.00 0.00 174.62 175.45 1rum s ALA 118 N 1.17 2.98 0.60 7.40 0.00 -1.26 -1.13 121.76 131.51 1rum s ALA 118 Ca -0.09 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1rum s ALA 118 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1rum s ALA 118 CO -0.05 -0.33 1.02 -1.25 0.00 0.00 0.00 175.76 175.16 1rum s PRO 119 N -2.80 3.56 -0.09 0.00 0.04 -1.26 -4.48 135.00 129.97 1rum s PRO 119 Ca 0.62 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1rum s PRO 119 Cb -0.21 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1rum s PRO 119 CO 0.26 -0.60 0.27 -1.12 0.04 0.00 0.00 177.00 175.85 1rum s SER 120 N -3.58 6.54 -0.21 6.66 0.01 -0.07 -4.92 113.70 118.13 1rum s SER 120 Ca 0.58 0.65 0.01 0.00 1.31 0.00 0.00 55.95 58.49 1rum s SER 120 Cb -0.12 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 63.98 1rum s SER 120 CO 0.45 0.31 -0.15 -0.69 0.41 0.00 0.00 173.24 173.57 1rum s VAL 121 N -0.69 2.31 -0.08 3.43 1.01 -1.26 0.32 120.40 125.44 1rum s VAL 121 Ca 0.18 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1rum s VAL 121 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1rum s VAL 121 CO 0.07 0.36 -0.15 -0.31 0.00 0.00 0.00 175.10 175.08 1rum s TYR 122 N 1.27 2.73 0.25 5.22 2.02 0.34 -4.97 117.35 124.21 1rum s TYR 122 Ca 0.01 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 1rum s TYR 122 Cb -0.15 -1.71 -0.09 0.00 -0.40 0.00 0.00 41.96 39.60 1rum s TYR 122 CO -0.09 -0.00 0.97 -1.25 -1.57 0.00 0.00 175.55 173.61 1rum s PRO 123 N -0.26 4.81 -0.44 -1.71 0.04 -1.26 -1.07 135.00 135.10 1rum s PRO 123 Ca 0.01 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 1rum s PRO 123 Cb -0.13 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.28 1rum s PRO 123 CO 0.03 0.45 0.25 -0.51 0.04 0.00 0.00 177.00 177.26 1rum s LEU 124 N -1.25 5.32 0.01 -3.56 1.43 0.54 -4.90 118.68 116.28 1rum s LEU 124 Ca 0.42 -2.10 -0.13 0.00 -1.03 0.00 0.00 54.13 51.28 1rum s LEU 124 Cb -0.27 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 1rum s LEU 124 CO 0.34 -0.55 0.39 0.00 0.23 0.00 0.00 176.35 176.76 1rum s ALA 125 N 1.05 3.71 0.61 4.21 0.00 -1.26 -1.23 121.76 128.85 1rum s ALA 125 Ca 0.09 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 1rum s ALA 125 Cb -0.23 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1rum s ALA 125 CO -0.04 0.50 1.17 -1.25 0.00 0.00 0.00 175.76 176.15 1rum s PRO 126 N -1.22 2.91 0.48 0.00 0.04 -1.26 -4.89 135.00 131.05 1rum s PRO 126 Ca 0.25 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.75 1rum s PRO 126 Cb -0.16 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1rum s PRO 126 CO 0.14 -1.22 1.13 0.14 0.04 0.00 0.00 177.00 177.22 1rum s VAL 127 N -1.84 3.27 0.24 -0.36 -7.23 -1.26 -4.49 120.40 108.73 1rum s VAL 127 Ca 0.74 0.88 -0.05 0.00 -1.81 0.00 0.00 61.98 61.74 1rum s VAL 127 Cb -0.27 -3.41 0.21 0.00 0.56 0.00 0.00 36.38 33.47 1rum s VAL 127 CO 0.35 -0.09 1.73 0.00 -0.31 0.00 0.00 175.10 176.78 1rum h GLY 129 N 0.42 0.00 -2.93 0.00 0.00 -2.03 -1.79 103.07 96.75 1rum h GLY 129 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 1rum h GLY 129 CO -0.40 0.00 0.10 1.34 0.00 0.00 0.00 176.54 177.58 1rum n ASP 130 N -3.51 4.59 -0.48 0.19 2.03 0.45 -4.32 116.55 115.51 1rum n ASP 130 Ca -0.00 -3.15 0.05 0.00 0.52 0.00 0.00 54.79 52.21 1rum n ASP 130 Cb 0.26 -0.67 0.08 0.00 -0.72 0.00 0.00 41.12 40.08 1rum n ASP 130 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1rum n THR 133 N -0.16 0.40 0.16 5.18 -2.24 -0.67 -4.64 114.28 112.31 1rum n THR 133 Ca 0.32 -0.70 0.12 0.00 -2.27 0.00 0.00 64.05 61.52 1rum n THR 133 Cb 1.18 0.93 0.24 0.00 -2.10 0.00 0.00 70.33 70.58 1rum n THR 133 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rum n THR 134 N 0.52 0.61 -2.53 4.28 -2.24 -1.26 -4.94 114.28 108.72 1rum n THR 134 Ca 0.08 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1rum n THR 134 Cb 0.32 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1rum n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rum n GLY 135 N 1.55 1.57 0.21 3.38 0.00 -1.26 -5.03 105.19 105.61 1rum n GLY 135 Ca 0.21 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 1rum n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rum h SER 136 N 0.00 0.78 -2.25 1.61 4.64 -1.97 -3.41 113.55 112.95 1rum h SER 136 Ca 0.00 -0.49 -0.57 0.00 -0.47 0.00 0.00 61.79 60.26 1rum h SER 136 Cb 0.00 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 61.76 1rum h SER 136 CO 0.00 1.27 -0.67 -0.44 -0.87 0.00 0.00 176.83 176.12 1rum s SER 137 N -7.04 4.40 0.01 4.97 0.01 -1.26 -0.09 113.70 114.69 1rum s SER 137 Ca -0.09 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1rum s SER 137 Cb 0.10 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 1rum s SER 137 CO 0.88 0.01 -0.02 0.54 0.41 0.00 0.00 173.24 175.07 1rum s VAL 138 N -2.32 0.09 -0.09 3.43 0.11 0.20 -4.59 120.40 117.22 1rum s VAL 138 Ca 0.31 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1rum s VAL 138 Cb -0.06 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1rum s VAL 138 CO 0.19 -0.15 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.76 1rum s THR 139 N -0.48 2.85 0.30 5.04 2.01 -1.26 -1.11 115.64 122.99 1rum s THR 139 Ca -0.05 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1rum s THR 139 Cb -0.03 -2.15 -0.06 0.00 0.01 0.00 0.00 72.50 70.27 1rum s THR 139 CO -0.00 0.55 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.65 1rum s LEU 140 N -0.03 2.56 0.38 4.42 1.02 0.51 -4.35 118.68 123.19 1rum s LEU 140 Ca -0.04 -1.20 -0.09 0.00 0.02 0.00 0.00 54.13 52.82 1rum s LEU 140 Cb -0.14 -0.75 0.04 0.00 0.02 0.00 0.00 46.19 45.35 1rum s LEU 140 CO 0.04 -0.31 0.66 -0.83 0.02 0.00 0.00 176.35 175.93 1rum s GLY 141 N -3.50 0.96 -0.07 -3.19 0.00 -0.37 -0.28 107.32 100.87 1rum s GLY 141 Ca 0.31 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.82 1rum s GLY 141 CO 0.14 -0.65 0.18 0.00 0.00 0.00 0.00 173.10 172.77 1rum s LEU 143 N 0.49 2.49 -0.39 0.00 2.96 -0.24 -1.24 118.68 122.76 1rum s LEU 143 Ca -0.03 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1rum s LEU 143 Cb -0.05 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 45.11 1rum s LEU 143 CO -0.02 -0.01 0.20 -0.69 -1.32 0.00 0.00 176.35 174.50 1rum s VAL 144 N 1.37 4.09 0.03 1.68 1.01 0.11 -0.51 120.40 128.18 1rum s VAL 144 Ca 0.05 -1.27 0.08 0.00 0.00 0.00 0.00 61.98 60.85 1rum s VAL 144 Cb -0.14 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1rum s VAL 144 CO -0.09 -0.37 -0.24 -0.75 0.00 0.00 0.00 175.10 173.66 1rum s LYS 145 N 1.42 1.67 0.00 2.72 2.20 0.15 -1.07 119.74 126.83 1rum s LYS 145 Ca 0.02 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 1rum s LYS 145 Cb -0.21 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 1rum s LYS 145 CO 0.03 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1rum n GLY 146 N 1.98 0.67 3.67 5.54 0.00 -0.28 -0.89 105.19 115.88 1rum n GLY 146 Ca -0.17 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 1rum n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rum s TYR 147 N -2.34 2.69 -0.22 1.61 1.13 -1.00 -4.40 117.35 114.81 1rum s TYR 147 Ca 0.00 -0.29 -0.26 0.00 -1.41 0.00 0.00 57.07 55.11 1rum s TYR 147 Cb 0.00 -1.34 0.08 0.00 -1.10 0.00 0.00 41.96 39.60 1rum s TYR 147 CO 0.00 0.53 0.78 0.12 -2.51 0.00 0.00 175.55 174.47 1rum s PHE 148 N -2.37 -0.69 0.90 -3.49 5.36 -0.28 -0.08 117.98 117.33 1rum s PHE 148 Ca 0.33 1.58 -0.11 0.00 -0.96 0.00 0.00 56.93 57.77 1rum s PHE 148 Cb -0.05 0.32 0.20 0.00 -0.34 0.00 0.00 43.02 43.15 1rum s PHE 148 CO 0.21 -0.40 1.23 -0.35 -1.46 0.00 0.00 175.22 174.44 1rum n PRO 149 N 2.16 -0.92 -1.12 10.12 -0.04 -1.26 -0.37 135.00 143.58 1rum n PRO 149 Ca -0.15 -2.28 -0.31 0.00 -0.04 0.00 0.00 63.50 60.73 1rum n PRO 149 Cb 0.56 -1.14 0.12 0.00 -0.04 0.00 0.00 33.50 32.99 1rum n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rum s GLU 150 N -5.66 1.74 0.51 0.54 0.41 -1.26 -4.73 118.70 110.25 1rum s GLU 150 Ca 0.73 1.18 0.08 0.00 -0.41 0.00 0.00 54.97 56.55 1rum s GLU 150 Cb -0.03 -1.84 0.05 0.00 -1.78 0.00 0.00 34.13 30.54 1rum s GLU 150 CO 0.50 -2.01 0.70 -1.25 -0.49 0.00 0.00 175.26 172.72 1rum s PRO 151 N -4.85 2.52 0.32 0.39 0.04 -1.26 -4.96 135.00 127.20 1rum s PRO 151 Ca 0.63 -1.44 0.09 0.00 0.04 0.00 0.00 61.00 60.32 1rum s PRO 151 Cb -0.19 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 1rum s PRO 151 CO 0.57 -0.62 0.07 0.14 0.04 0.00 0.00 177.00 177.19 1rum s VAL 152 N -2.55 2.98 0.00 -0.36 -7.23 -1.26 -4.43 120.40 107.56 1rum s VAL 152 Ca 0.59 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1rum s VAL 152 Cb -0.08 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 1rum s VAL 152 CO 0.37 -0.23 -0.10 0.42 -0.31 0.00 0.00 175.10 175.25 1rum s THR 153 N -2.43 3.41 -0.04 5.32 -4.23 -0.48 -4.98 115.64 112.22 1rum s THR 153 Ca 0.35 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1rum s THR 153 Cb -0.03 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1rum s THR 153 CO 0.21 0.41 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.47 1rum s LEU 154 N -1.33 1.11 0.29 4.79 0.20 -1.26 -1.33 118.68 121.15 1rum s LEU 154 Ca 0.16 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.96 1rum s LEU 154 Cb -0.11 -0.29 -0.06 0.00 -0.43 0.00 0.00 46.19 45.30 1rum s LEU 154 CO 0.06 -0.10 0.05 0.42 -0.29 0.00 0.00 176.35 176.49 1rum s THR 156 N 1.13 1.02 -0.13 3.68 -4.23 -0.14 -4.98 115.64 111.99 1rum s THR 156 Ca -0.08 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1rum s THR 156 Cb -0.14 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 1rum s THR 156 CO -0.02 -0.07 -0.15 0.26 -0.54 0.00 0.00 174.62 174.10 1rum s TRP 157 N -3.43 2.77 -1.46 3.99 0.52 -1.26 -0.14 118.94 119.93 1rum s TRP 157 Ca 0.35 -0.73 -0.04 0.00 0.02 0.00 0.00 56.10 55.70 1rum s TRP 157 Cb 0.08 -1.82 0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1rum s TRP 157 CO 0.14 -0.26 0.51 0.09 0.02 0.00 0.00 176.95 177.45 1rum n ASN 162 N 3.54 -1.06 -1.53 2.95 3.02 0.42 -1.11 115.26 121.50 1rum n ASN 162 Ca -0.18 -0.99 -0.18 0.00 -0.03 0.00 0.00 54.58 53.20 1rum n ASN 162 Cb 0.53 -3.07 -0.06 0.00 -0.61 0.00 0.00 39.78 36.57 1rum n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rum n SER 163 N -2.93 -5.15 0.00 6.41 7.64 -1.26 -0.88 113.62 117.46 1rum n SER 163 Ca -0.23 0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1rum n SER 163 Cb 0.65 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 1rum n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rum n GLY 164 N -0.86 0.33 0.20 0.23 0.00 -0.27 -4.91 105.19 99.92 1rum n GLY 164 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1rum n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rum h SER 165 N 0.00 0.00 -3.36 1.61 4.64 -0.93 -3.37 113.55 112.14 1rum h SER 165 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 1rum h SER 165 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1rum h SER 165 CO 0.00 0.00 -0.39 -0.22 -0.87 0.00 0.00 176.83 175.35 1rum s LEU 166 N -5.57 5.69 -0.00 5.97 2.96 -0.99 -4.87 118.68 121.87 1rum s LEU 166 Ca 0.05 -1.99 0.00 0.00 -0.22 0.00 0.00 54.13 51.98 1rum s LEU 166 Cb 0.08 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1rum s LEU 166 CO 0.57 -0.67 0.00 -1.54 -1.32 0.00 0.00 176.35 173.39 1rum n SER 167 N 4.80 4.96 -4.87 3.68 3.41 -1.26 -4.27 113.62 120.07 1rum n SER 167 Ca -0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 1rum n SER 167 Cb 0.41 0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 65.12 1rum n SER 167 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rum s SER 168 N -2.46 6.48 -0.27 4.04 1.04 -1.26 -3.71 113.70 117.57 1rum s SER 168 Ca -0.00 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.73 1rum s SER 168 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1rum s SER 168 CO 0.01 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1rum n GLY 169 N -1.75 0.58 3.66 7.32 0.00 -1.26 -4.72 105.19 109.02 1rum n GLY 169 Ca 0.04 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1rum n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rum s VAL 171 N -1.99 4.50 -0.22 1.61 1.01 -1.24 -1.01 120.40 123.05 1rum s VAL 171 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1rum s VAL 171 Cb 0.00 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.49 1rum s VAL 171 CO 0.00 0.55 -0.06 -1.00 0.00 0.00 0.00 175.10 174.60 1rum s HIS 172 N -0.39 2.28 -0.27 5.22 3.76 -0.15 -4.99 115.29 120.77 1rum s HIS 172 Ca 0.08 -1.63 -0.08 0.00 -0.15 0.00 0.00 55.06 53.28 1rum s HIS 172 Cb -0.12 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 1rum s HIS 172 CO 0.02 -0.75 0.09 0.99 -0.85 0.00 0.00 174.74 174.24 1rum s THR 173 N 1.44 4.36 0.25 1.30 2.01 -1.26 -0.31 115.64 123.43 1rum s THR 173 Ca -0.04 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 1rum s THR 173 Cb -0.18 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 1rum s THR 173 CO -0.07 0.26 0.57 -0.36 -0.69 0.00 0.00 174.62 174.34 1rum s PHE 174 N 1.61 3.43 0.39 4.92 0.40 -0.49 -5.01 117.98 123.22 1rum s PHE 174 Ca 0.06 0.87 -0.27 0.00 -0.60 0.00 0.00 56.93 56.99 1rum s PHE 174 Cb -0.16 -2.26 -0.11 0.00 0.51 0.00 0.00 43.02 41.00 1rum s PHE 174 CO 0.04 0.22 1.38 -2.30 0.70 0.00 0.00 175.22 175.27 1rum n PRO 175 N -0.32 2.31 -1.60 0.24 -0.02 -1.26 -4.38 135.00 129.97 1rum n PRO 175 Ca 0.00 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 61.97 1rum n PRO 175 Cb 0.53 -2.52 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1rum n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rum s ALA 176 N -1.14 2.35 -0.10 3.55 0.00 -1.26 -4.79 121.76 120.38 1rum s ALA 176 Ca 0.57 0.56 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1rum s ALA 176 Cb -0.50 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 1rum s ALA 176 CO 0.61 -1.49 -0.15 0.54 0.00 0.00 0.00 175.76 175.27 1rum s VAL 177 N -2.38 2.88 -0.21 0.00 0.11 0.28 -4.92 120.40 116.17 1rum s VAL 177 Ca 0.67 -0.75 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 1rum s VAL 177 Cb -0.21 -2.16 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1rum s VAL 177 CO 0.45 0.55 0.11 -0.22 -3.33 0.00 0.00 175.10 172.65 1rum s LEU 178 N -0.03 3.98 -0.13 2.54 2.96 -1.26 -1.02 118.68 125.72 1rum s LEU 178 Ca -0.04 0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1rum s LEU 178 Cb -0.14 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 44.57 1rum s LEU 178 CO 0.04 0.14 0.31 -1.58 -1.32 0.00 0.00 176.35 173.94 1rum s GLN 179 N 0.61 0.28 -1.46 1.98 0.74 -0.30 -4.92 119.66 116.59 1rum s GLN 179 Ca 0.06 0.63 -0.03 0.00 0.05 0.00 0.00 55.36 56.07 1rum s GLN 179 Cb -0.12 -0.08 0.03 0.00 1.10 0.00 0.00 33.01 33.93 1rum s GLN 179 CO 0.01 -0.16 0.48 0.43 -0.55 0.00 0.00 175.29 175.49 1rum n SER 180 N 4.25 -0.85 -1.88 6.67 7.64 -1.26 -1.59 113.62 126.60 1rum n SER 180 Ca -0.24 -1.01 -0.21 0.00 1.01 0.00 0.00 58.87 58.42 1rum n SER 180 Cb 0.54 -2.99 -0.06 0.00 -1.01 0.00 0.00 64.21 60.69 1rum n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1rum n ASP 183 N -2.93 -5.65 -4.08 6.43 8.00 -1.26 -4.98 116.55 112.08 1rum n ASP 183 Ca -0.24 0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.39 1rum n ASP 183 Cb 0.65 -4.87 -0.14 0.00 -0.02 0.00 0.00 41.12 36.75 1rum n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rum s LEU 184 N -5.19 2.10 0.08 0.64 1.43 -0.62 -4.71 118.68 112.41 1rum s LEU 184 Ca 0.00 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1rum s LEU 184 Cb 0.00 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1rum s LEU 184 CO 0.00 0.06 0.27 -0.31 0.23 0.00 0.00 176.35 176.59 1rum s TYR 185 N -0.56 3.51 -0.01 0.29 2.02 0.89 -1.15 117.35 122.33 1rum s TYR 185 Ca 0.02 0.36 0.03 0.00 -0.37 0.00 0.00 57.07 57.11 1rum s TYR 185 Cb -0.06 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1rum s TYR 185 CO 0.00 0.54 -0.09 0.99 -1.57 0.00 0.00 175.55 175.43 1rum s THR 186 N -1.55 0.69 0.02 -0.71 2.01 -0.19 -1.12 115.64 114.79 1rum s THR 186 Ca 0.36 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1rum s THR 186 Cb -0.13 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1rum s THR 186 CO 0.26 0.20 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.14 1rum s LEU 187 N -0.15 2.20 0.18 4.42 0.20 -0.24 -0.55 118.68 124.74 1rum s LEU 187 Ca 0.02 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.46 1rum s LEU 187 Cb -0.04 0.06 -0.05 0.00 -0.43 0.00 0.00 46.19 45.74 1rum s LEU 187 CO -0.00 -0.24 -0.07 -0.94 -0.29 0.00 0.00 176.35 174.80 1rum s SER 188 N -1.24 1.86 -0.01 3.68 1.04 -1.26 0.09 113.70 117.87 1rum s SER 188 Ca -0.13 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 1rum s SER 188 Cb -0.08 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1rum s SER 188 CO -0.01 -0.38 0.02 -0.55 0.98 0.00 0.00 173.24 173.31 1rum s SER 189 N -3.22 -0.02 0.12 7.02 0.15 -0.37 -1.40 113.70 115.98 1rum s SER 189 Ca 0.21 0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.97 1rum s SER 189 Cb 0.03 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1rum s SER 189 CO 0.03 -0.01 -0.12 -0.94 1.20 0.00 0.00 173.24 173.41 1rum s SER 190 N 0.02 4.25 -0.01 5.45 1.04 0.58 -1.03 113.70 124.01 1rum s SER 190 Ca -0.00 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1rum s SER 190 Cb -0.00 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1rum s SER 190 CO -0.00 0.17 -0.03 0.54 0.98 0.00 0.00 173.24 174.90 1rum s VAL 191 N -1.27 0.26 -0.11 5.02 0.11 0.62 -0.97 120.40 124.06 1rum s VAL 191 Ca 0.21 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1rum s VAL 191 Cb -0.11 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1rum s VAL 191 CO 0.13 0.08 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.87 1rum s THR 192 N 0.02 1.96 0.27 5.04 2.01 -0.18 -0.36 115.64 124.39 1rum s THR 192 Ca 0.00 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1rum s THR 192 Cb -0.02 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1rum s THR 192 CO -0.00 0.54 0.06 0.68 -0.69 0.00 0.00 174.62 175.21 1rum s VAL 193 N 0.50 0.82 0.16 3.82 -7.23 -0.27 -4.65 120.40 113.55 1rum s VAL 193 Ca -0.16 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.70 1rum s VAL 193 Cb -0.17 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.06 1rum s VAL 193 CO 0.06 -0.08 1.47 -0.89 -0.31 0.00 0.00 175.10 175.35 1rum s THR 194 N -3.56 2.92 0.22 5.32 2.01 -1.26 -0.63 115.64 120.65 1rum s THR 194 Ca 0.35 0.68 -0.05 0.00 0.31 0.00 0.00 61.69 62.98 1rum s THR 194 Cb 0.08 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 69.21 1rum s THR 194 CO 0.13 0.06 1.66 -1.28 -0.69 0.00 0.00 174.62 174.51 1rum h SER 195 N 6.46 0.83 0.34 3.53 0.87 -0.73 -1.43 113.55 123.42 1rum h SER 195 Ca -0.43 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1rum h SER 195 Cb 1.21 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1rum h SER 195 CO 0.87 0.97 0.00 0.77 -0.53 0.00 0.00 176.83 178.91 1rum h SER 196 N 0.75 0.00 0.94 6.23 4.64 -1.84 -0.90 113.55 123.36 1rum h SER 196 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rum h SER 196 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1rum h SER 196 CO 0.04 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 1rum n THR 198 N -2.49 0.25 -4.69 2.95 -2.24 -0.54 -4.76 114.28 102.76 1rum n THR 198 Ca -0.00 0.03 -0.25 0.00 -2.27 0.00 0.00 64.05 61.56 1rum n THR 198 Cb 0.13 -0.61 -0.16 0.00 -2.10 0.00 0.00 70.33 67.59 1rum n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1rum s TRP 199 N -3.01 1.49 -0.79 4.78 -0.00 -0.34 -0.54 118.94 120.53 1rum s TRP 199 Ca 0.12 -0.45 0.13 0.00 -0.00 0.00 0.00 56.10 55.90 1rum s TRP 199 Cb 0.17 -1.03 0.63 0.00 -0.00 0.00 0.00 33.47 33.23 1rum s TRP 199 CO 0.48 -0.18 1.49 -0.35 -0.00 0.00 0.00 176.95 178.40 1rum n PRO 200 N 3.32 3.73 -0.10 5.86 -0.04 -1.26 -4.95 135.00 141.55 1rum n PRO 200 Ca -0.19 -2.45 0.01 0.00 -0.04 0.00 0.00 63.50 60.82 1rum n PRO 200 Cb 0.53 -1.96 0.29 0.00 -0.04 0.00 0.00 33.50 32.32 1rum n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1rum h SER 202 N 3.29 0.66 -3.63 3.54 0.02 -1.81 -3.36 113.55 112.27 1rum h SER 202 Ca 0.00 -0.06 -0.68 0.00 -0.84 0.00 0.00 61.79 60.21 1rum h SER 202 Cb 1.48 -0.17 -0.24 0.00 0.14 0.00 0.00 62.40 63.62 1rum h SER 202 CO 0.30 0.56 -0.56 -1.10 -1.14 0.00 0.00 176.83 174.90 1rum s GLN 203 N -5.45 3.18 0.68 3.45 -0.21 0.30 -5.08 119.66 116.53 1rum s GLN 203 Ca -0.09 -0.82 -0.12 0.00 0.02 0.00 0.00 55.36 54.35 1rum s GLN 203 Cb 0.17 -3.56 0.00 0.00 1.00 0.00 0.00 33.01 30.61 1rum s GLN 203 CO 0.77 -0.48 1.06 -1.54 -2.12 0.00 0.00 175.29 172.98 1rum s SER 204 N 1.58 5.38 -0.04 5.90 1.04 -1.26 -4.69 113.70 121.61 1rum s SER 204 Ca 0.04 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1rum s SER 204 Cb -0.18 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.46 1rum s SER 204 CO 0.06 -1.44 -0.02 -0.63 0.98 0.00 0.00 173.24 172.19 1rum s ILE 205 N -2.88 0.38 -0.02 -1.02 1.01 -1.26 -4.99 121.20 112.42 1rum s ILE 205 Ca 0.60 -0.00 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1rum s ILE 205 Cb -0.15 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1rum s ILE 205 CO 0.51 0.21 -0.08 -0.89 0.00 0.00 0.00 174.94 174.68 1rum s THR 206 N 1.18 0.70 -0.21 2.92 2.01 -1.26 -0.58 115.64 120.40 1rum s THR 206 Ca -0.07 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 1rum s THR 206 Cb -0.14 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 1rum s THR 206 CO -0.02 0.22 0.12 0.00 -0.69 0.00 0.00 174.62 174.26 1rum s ASN 209 N 0.61 5.58 -0.10 0.00 -0.87 0.80 -0.36 114.94 120.61 1rum s ASN 209 Ca 0.07 -0.76 0.02 0.00 -1.57 0.00 0.00 52.86 50.61 1rum s ASN 209 Cb -0.12 -2.00 -0.02 0.00 -0.02 0.00 0.00 41.25 39.09 1rum s ASN 209 CO 0.01 -0.28 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.42 1rum s VAL 210 N 1.57 2.98 0.01 1.60 1.01 0.15 -0.97 120.40 126.75 1rum s VAL 210 Ca 0.03 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1rum s VAL 210 Cb -0.18 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1rum s VAL 210 CO 0.06 0.55 -0.18 0.00 0.00 0.00 0.00 175.10 175.53 1rum s ALA 211 N -0.06 1.50 -0.45 5.51 0.00 -0.44 -0.69 121.76 127.13 1rum s ALA 211 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1rum s ALA 211 Cb -0.14 -0.34 0.14 0.00 0.00 0.00 0.00 23.12 22.78 1rum s ALA 211 CO 0.04 0.35 0.26 -1.58 0.00 0.00 0.00 175.76 174.83 1rum s HIS 212 N -0.58 2.00 0.36 0.00 2.46 0.88 -1.38 115.29 119.03 1rum s HIS 212 Ca 0.06 -2.47 0.11 0.00 0.47 0.00 0.00 55.06 53.24 1rum s HIS 212 Cb -0.07 -1.85 0.88 0.00 -0.13 0.00 0.00 32.58 31.41 1rum s HIS 212 CO 0.00 -0.77 1.83 -1.35 -2.47 0.00 0.00 174.74 171.98 1rum h PRO 213 N 6.56 0.60 -0.08 2.88 0.11 -1.80 -1.56 132.00 138.70 1rum h PRO 213 Ca 0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1rum h PRO 213 Cb 0.91 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1rum h PRO 213 CO 0.49 0.40 -0.02 0.00 -0.21 0.00 0.00 178.00 178.66 1rum h ALA 214 N 1.61 1.82 -0.35 -0.75 0.00 -1.91 -1.19 119.26 118.50 1rum h ALA 214 Ca 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1rum h ALA 214 Cb 0.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1rum h ALA 214 CO -0.25 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 1rum n SER 215 N -4.45 3.12 -3.43 0.00 3.41 -0.67 -4.97 113.62 106.63 1rum n SER 215 Ca -0.02 -1.90 -0.25 0.00 -0.26 0.00 0.00 58.87 56.44 1rum n SER 215 Cb 0.14 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1rum n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rum n SER 216 N 1.12 -4.85 -4.44 4.04 7.64 -0.45 -4.97 113.62 111.71 1rum n SER 216 Ca 0.16 -0.48 -0.33 0.00 1.01 0.00 0.00 58.87 59.24 1rum n SER 216 Cb 0.51 -3.93 -0.14 0.00 -1.01 0.00 0.00 64.21 59.64 1rum n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rum s THR 217 N -3.12 2.92 -0.00 0.44 2.01 -1.08 -4.99 115.64 111.81 1rum s THR 217 Ca 0.46 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1rum s THR 217 Cb -0.23 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1rum s THR 217 CO 0.56 0.58 -0.12 -0.54 -0.69 0.00 0.00 174.62 174.41 1rum s LYS 218 N -0.55 0.99 -0.03 4.92 1.02 -1.26 -0.09 119.74 124.74 1rum s LYS 218 Ca 0.08 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1rum s LYS 218 Cb -0.11 -0.96 0.00 0.00 -0.52 0.00 0.00 37.83 36.24 1rum s LYS 218 CO 0.01 0.26 -0.10 0.08 -0.92 0.00 0.00 175.35 174.68 1rum s VAL 219 N -0.36 0.90 -0.34 3.17 1.01 0.14 -5.00 120.40 119.91 1rum s VAL 219 Ca 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1rum s VAL 219 Cb -0.05 -0.79 0.10 0.00 0.00 0.00 0.00 36.38 35.64 1rum s VAL 219 CO -0.00 0.27 0.08 -1.81 0.00 0.00 0.00 175.10 173.64 1rum s ASP 220 N 0.16 4.51 -0.35 3.32 1.01 -1.26 -0.67 116.67 123.39 1rum s ASP 220 Ca -0.03 -2.07 -0.11 0.00 0.71 0.00 0.00 52.55 51.06 1rum s ASP 220 Cb -0.09 -1.40 0.01 0.00 1.01 0.00 0.00 42.92 42.45 1rum s ASP 220 CO 0.01 -0.38 0.19 -0.75 0.21 0.00 0.00 175.17 174.45 1rum s LYS 221 N 1.03 3.05 0.10 8.23 2.47 0.51 -4.92 119.74 130.22 1rum s LYS 221 Ca 0.11 -0.92 -0.30 0.00 -1.56 0.00 0.00 55.97 53.29 1rum s LYS 221 Cb -0.19 -3.68 -0.06 0.00 -1.46 0.00 0.00 37.83 32.44 1rum s LYS 221 CO -0.12 -0.58 1.15 0.21 0.16 0.00 0.00 175.35 176.17 1rum s LYS 222 N 1.59 4.49 -0.32 4.03 2.20 -1.26 -0.80 119.74 129.67 1rum s LYS 222 Ca 0.03 1.74 -0.26 0.00 -0.36 0.00 0.00 55.97 57.12 1rum s LYS 222 Cb -0.18 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1rum s LYS 222 CO 0.07 -0.13 0.91 0.42 -0.36 0.00 0.00 175.35 176.26 1rum s ILE 223 N 0.59 4.67 -0.09 5.43 -1.09 0.25 -4.93 121.20 126.02 1rum s ILE 223 Ca 0.55 1.40 -0.10 0.00 -2.23 0.00 0.00 60.65 60.28 1rum s ILE 223 Cb -0.29 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.28 1rum s ILE 223 CO 0.31 -0.36 0.22 -1.61 -1.23 0.00 0.00 174.94 172.27 1rum s GLU 226 N 3.26 3.64 0.65 2.79 0.41 -1.26 -4.69 118.70 123.49 1rum s GLU 226 Ca 0.38 0.02 -0.18 0.00 -0.41 0.00 0.00 54.97 54.78 1rum s GLU 226 Cb -0.13 -3.22 -0.01 0.00 -1.78 0.00 0.00 34.13 28.99 1rum s GLU 226 CO 0.14 0.71 1.29 -0.35 -0.49 0.00 0.00 175.26 176.56 1rum n PRO 227 N 2.07 1.13 -1.81 0.39 -0.04 -1.26 -4.72 135.00 130.75 1rum n PRO 227 Ca -0.18 0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 63.38 1rum n PRO 227 Cb 0.54 -2.53 0.05 0.00 -0.04 0.00 0.00 33.50 31.52 1rum n PRO 227 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1rum s ARG 228 N -3.34 2.78 0.33 0.54 0.52 -1.26 -4.78 118.95 113.74 1rum s ARG 228 Ca 0.82 1.58 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 1rum s ARG 228 Cb -0.38 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1rum s ARG 228 CO 0.41 -1.30 0.00 0.41 0.02 0.00 0.00 175.30 174.83 1rum n GLY 229 N -0.03 -2.48 3.76 -3.53 0.00 -1.26 -4.93 105.19 96.72 1rum n GLY 229 Ca 0.12 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 1rum n GLY 229 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rum s PRO 230 N -0.49 3.42 0.00 1.61 0.02 -1.26 -5.19 135.00 133.12 1rum s PRO 230 Ca 0.00 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1rum s PRO 230 Cb 0.00 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1rum s PRO 230 CO 0.00 -1.00 0.30 0.25 -0.33 0.00 0.00 177.00 176.22