#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rul s VAL 2 N 0.00 3.02 -0.20 2.53 1.01 -1.26 -4.99 120.40 120.50 1rul s VAL 2 Ca 0.00 0.72 -0.09 0.00 0.00 0.00 0.00 61.98 62.60 1rul s VAL 2 Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1rul s VAL 2 CO 0.00 0.05 0.12 -0.69 0.00 0.00 0.00 175.10 174.58 1rul s VAL 3 N 1.23 5.25 -0.20 2.92 1.01 -1.26 -4.82 120.40 124.52 1rul s VAL 3 Ca 0.67 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 1rul s VAL 3 Cb -0.40 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1rul s VAL 3 CO 0.31 0.43 -0.02 -0.04 0.00 0.00 0.00 175.10 175.77 1rul s MET 4 N 0.46 3.51 -0.21 2.72 -1.94 -1.26 -0.72 119.30 121.87 1rul s MET 4 Ca 0.07 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1rul s MET 4 Cb -0.12 -3.02 0.02 0.00 2.01 0.00 0.00 34.83 33.72 1rul s MET 4 CO -0.01 -0.05 -0.14 0.99 -0.01 0.00 0.00 175.02 175.80 1rul s THR 5 N 1.14 2.43 -0.17 2.05 2.01 0.38 -4.07 115.64 119.41 1rul s THR 5 Ca 0.02 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.91 1rul s THR 5 Cb -0.15 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1rul s THR 5 CO 0.00 0.37 0.18 -1.10 -0.69 0.00 0.00 174.62 173.38 1rul s GLN 6 N 1.30 4.08 0.01 4.92 -0.21 -1.26 0.17 119.66 128.66 1rul s GLN 6 Ca 0.02 -0.10 0.01 0.00 0.02 0.00 0.00 55.36 55.31 1rul s GLN 6 Cb -0.15 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 1rul s GLN 6 CO -0.09 0.38 -0.04 -1.54 -2.12 0.00 0.00 175.29 171.88 1rul s SER 7 N 0.11 0.45 0.69 5.90 1.04 0.50 -4.40 113.70 117.99 1rul s SER 7 Ca 0.12 -0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 1rul s SER 7 Cb -0.12 -0.00 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1rul s SER 7 CO 0.01 -0.07 0.99 -2.16 0.98 0.00 0.00 173.24 172.99 1rul s PRO 8 N -0.64 2.14 0.21 4.02 0.04 -1.26 -0.65 135.00 138.86 1rul s PRO 8 Ca -0.04 -0.42 -0.09 0.00 0.04 0.00 0.00 61.00 60.50 1rul s PRO 8 Cb -0.05 -2.22 0.28 0.00 0.04 0.00 0.00 34.50 32.56 1rul s PRO 8 CO -0.00 -1.22 1.78 -0.22 0.04 0.00 0.00 177.00 177.38 1rul h LYS 9 N -0.53 0.56 -3.57 4.56 3.11 -1.87 -3.43 116.57 115.40 1rul h LYS 9 Ca -0.43 -0.03 -0.17 0.00 -2.81 0.00 0.00 60.65 57.20 1rul h LYS 9 Cb 1.31 -0.13 -0.24 0.00 -1.00 0.00 0.00 32.23 32.17 1rul h LYS 9 CO 0.56 0.37 -0.57 0.95 -2.81 0.00 0.00 179.45 177.95 1rul s THR 10 N -6.08 0.05 0.00 1.00 -4.23 -1.26 -1.35 115.64 103.78 1rul s THR 10 Ca -0.13 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1rul s THR 10 Cb 0.17 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.72 1rul s THR 10 CO 0.76 -0.23 -0.04 -0.51 -0.54 0.00 0.00 174.62 174.06 1rul s ILE 11 N -0.75 0.27 -0.19 2.99 2.07 0.01 -4.91 121.20 120.69 1rul s ILE 11 Ca -0.08 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.90 1rul s ILE 11 Cb -0.05 -0.25 0.03 0.00 0.13 0.00 0.00 42.46 42.32 1rul s ILE 11 CO 0.00 -0.01 -0.14 -0.55 -1.91 0.00 0.00 174.94 172.33 1rul s SER 12 N -0.30 3.23 -0.01 4.50 0.15 -1.26 -0.73 113.70 119.28 1rul s SER 12 Ca -0.01 -0.76 0.03 0.00 0.70 0.00 0.00 55.95 55.91 1rul s SER 12 Cb -0.03 -1.33 -0.01 0.00 -1.71 0.00 0.00 66.02 62.95 1rul s SER 12 CO -0.00 -0.08 -0.09 -0.69 1.20 0.00 0.00 173.24 173.57 1rul s VAL 13 N 1.36 0.76 0.19 4.45 1.01 -0.03 -4.80 120.40 123.34 1rul s VAL 13 Ca 0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1rul s VAL 13 Cb -0.15 -0.64 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 1rul s VAL 13 CO -0.10 0.22 1.03 -0.89 0.00 0.00 0.00 175.10 175.36 1rul s THR 14 N -0.14 3.99 0.07 3.92 2.01 -1.26 -1.47 115.64 122.76 1rul s THR 14 Ca 0.02 1.80 -0.33 0.00 0.31 0.00 0.00 61.69 63.50 1rul s THR 14 Cb -0.05 -4.15 -0.12 0.00 0.01 0.00 0.00 72.50 68.20 1rul s THR 14 CO -0.00 0.35 1.80 -0.38 -0.69 0.00 0.00 174.62 175.69 1rul n ILE 15 N 2.07 0.36 0.00 1.82 5.41 -1.26 -0.69 119.36 127.07 1rul n ILE 15 Ca 0.01 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1rul n ILE 15 Cb 0.47 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1rul n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rul n GLY 16 N 4.10 2.54 3.92 7.39 0.00 0.25 -4.95 105.19 118.44 1rul n GLY 16 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1rul n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rul s GLN 17 N -0.83 3.19 0.48 1.61 -1.52 0.14 -4.53 119.66 118.20 1rul s GLN 17 Ca 0.00 -0.01 -0.07 0.00 -1.95 0.00 0.00 55.36 53.33 1rul s GLN 17 Cb 0.00 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.38 1rul s GLN 17 CO 0.00 -0.43 0.82 -1.25 -0.25 0.00 0.00 175.29 174.18 1rul s PRO 18 N -4.82 3.61 0.00 2.91 0.04 -1.21 -0.06 135.00 135.47 1rul s PRO 18 Ca 0.50 0.34 0.01 0.00 0.04 0.00 0.00 61.00 61.90 1rul s PRO 18 Cb -0.10 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 1rul s PRO 18 CO 0.44 -0.22 -0.04 0.00 0.04 0.00 0.00 177.00 177.21 1rul s ALA 19 N -2.72 0.35 -0.02 8.56 0.00 -0.46 -4.92 121.76 122.55 1rul s ALA 19 Ca 0.49 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1rul s ALA 19 Cb -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1rul s ALA 19 CO 0.43 0.07 -0.03 0.45 0.00 0.00 0.00 175.76 176.68 1rul s SER 20 N -0.22 0.61 0.07 0.00 0.15 -1.26 0.60 113.70 113.66 1rul s SER 20 Ca 0.01 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.59 1rul s SER 20 Cb -0.02 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1rul s SER 20 CO -0.00 -0.02 -0.07 0.27 1.20 0.00 0.00 173.24 174.62 1rul s ILE 21 N 0.49 0.59 0.10 6.45 -4.36 -0.65 -4.82 121.20 119.01 1rul s ILE 21 Ca -0.05 -1.61 0.08 0.00 -0.26 0.00 0.00 60.65 58.80 1rul s ILE 21 Cb -0.09 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.32 1rul s ILE 21 CO -0.01 -0.71 -0.21 -0.55 0.24 0.00 0.00 174.94 173.71 1rul s SER 22 N -2.50 2.50 -0.10 4.36 0.15 0.17 -0.82 113.70 117.47 1rul s SER 22 Ca 0.03 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1rul s SER 22 Cb -0.00 -0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1rul s SER 22 CO -0.03 0.06 -0.09 0.00 1.20 0.00 0.00 173.24 174.37 1rul s LYS 24 N 1.35 2.90 0.20 0.00 1.02 0.13 -0.89 119.74 124.43 1rul s LYS 24 Ca -0.02 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 1rul s LYS 24 Cb -0.14 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1rul s LYS 24 CO -0.04 0.08 0.42 -1.54 -0.92 0.00 0.00 175.35 173.34 1rul s SER 25 N 0.59 6.43 0.22 2.83 1.04 -0.66 -0.47 113.70 123.68 1rul s SER 25 Ca -0.13 0.53 0.26 0.00 0.48 0.00 0.00 55.95 57.08 1rul s SER 25 Cb -0.17 -2.06 0.85 0.00 0.10 0.00 0.00 66.02 64.74 1rul s SER 25 CO 0.04 -0.04 1.77 -1.54 0.98 0.00 0.00 173.24 174.44 1rul n SER 26 N -0.45 0.78 -4.06 7.02 3.41 0.11 -4.80 113.62 115.62 1rul n SER 26 Ca -0.03 0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1rul n SER 26 Cb 0.53 -0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 1rul n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1rul s GLN 27 N -3.14 0.53 0.00 4.33 -0.21 -1.26 -4.94 119.66 114.96 1rul s GLN 27 Ca 0.09 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.65 1rul s GLN 27 Cb 0.12 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.94 1rul s GLN 27 CO 0.56 0.02 0.00 0.54 -2.12 0.00 0.00 175.29 174.28 1rul n ARG 27 N 1.24 0.43 -1.16 2.91 1.74 -1.26 -4.70 116.66 115.86 1rul n ARG 27 Ca -0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1rul n ARG 27 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1rul n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1rul n LEU 27 N 0.00 -0.49 0.00 0.55 7.94 -1.26 -4.97 117.00 118.77 1rul n LEU 27 Ca 0.00 0.74 -0.19 0.00 -1.11 0.00 0.00 56.01 55.45 1rul n LEU 27 Cb 0.00 -1.93 -0.01 0.00 0.53 0.00 0.00 43.42 42.02 1rul n LEU 27 CO 0.00 -0.01 0.02 -0.46 -1.11 0.00 0.00 177.39 175.83 1rul n ASN 27 N -1.43 2.31 0.11 1.96 6.94 0.18 -4.99 115.26 120.34 1rul n ASN 27 Ca 0.00 -2.33 0.13 0.00 -0.02 0.00 0.00 54.58 52.35 1rul n ASN 27 Cb 0.04 0.01 0.42 0.00 -2.36 0.00 0.00 39.78 37.89 1rul n ASN 27 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1rul n SER 27 N -1.80 0.79 -1.17 0.53 7.64 -1.26 -2.63 113.62 115.73 1rul n SER 27 Ca -0.03 0.59 0.10 0.00 1.01 0.00 0.00 58.87 60.54 1rul n SER 27 Cb 0.43 -0.80 0.27 0.00 -1.01 0.00 0.00 64.21 63.11 1rul n SER 27 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rul n ASN 28 N -2.26 3.67 0.00 6.43 5.03 -1.26 -4.94 115.26 121.93 1rul n ASN 28 Ca 0.05 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.51 1rul n ASN 28 Cb 0.40 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 1rul n ASN 28 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rul n GLY 29 N 1.38 0.82 3.88 7.41 0.00 -1.08 -5.05 105.19 112.55 1rul n GLY 29 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1rul n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rul s LYS 30 N -0.41 3.75 -0.32 1.61 1.02 -1.26 -4.80 119.74 119.33 1rul s LYS 30 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.16 1rul s LYS 30 Cb 0.00 -2.77 0.07 0.00 -0.52 0.00 0.00 37.83 34.61 1rul s LYS 30 CO 0.00 0.40 0.03 0.99 -0.92 0.00 0.00 175.35 175.85 1rul s THR 31 N -1.69 2.75 -1.36 2.17 2.01 -1.26 -0.65 115.64 117.61 1rul s THR 31 Ca 0.43 -1.76 -0.15 0.00 0.31 0.00 0.00 61.69 60.52 1rul s THR 31 Cb -0.12 -2.73 0.08 0.00 0.01 0.00 0.00 72.50 69.73 1rul s THR 31 CO 0.22 -0.30 1.93 0.49 -0.69 0.00 0.00 174.62 176.26 1rul n PHE 32 N 4.51 4.02 -4.10 4.92 3.72 -1.26 -2.85 117.46 126.42 1rul n PHE 32 Ca -0.08 -2.94 -0.33 0.00 -0.05 0.00 0.00 57.45 54.05 1rul n PHE 32 Cb 0.42 -2.48 -0.16 0.00 -0.94 0.00 0.00 39.48 36.33 1rul n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1rul s LEU 33 N 2.60 2.61 0.15 4.37 1.98 -1.26 -1.35 118.68 127.77 1rul s LEU 33 Ca 0.48 -0.92 0.07 0.00 -2.89 0.00 0.00 54.13 50.87 1rul s LEU 33 Cb 0.08 -1.50 -0.04 0.00 0.66 0.00 0.00 46.19 45.39 1rul s LEU 33 CO -0.01 -0.07 -0.05 0.20 -1.89 0.00 0.00 176.35 174.53 1rul s ASN 34 N 1.22 4.57 -0.00 3.68 -0.87 0.01 -1.73 114.94 121.82 1rul s ASN 34 Ca -0.00 -0.42 0.07 0.00 -1.57 0.00 0.00 52.86 50.94 1rul s ASN 34 Cb -0.16 -0.91 -0.02 0.00 -0.02 0.00 0.00 41.25 40.14 1rul s ASN 34 CO -0.10 0.12 -0.23 0.26 -2.57 0.00 0.00 177.10 174.59 1rul s TRP 35 N -1.55 2.43 0.05 2.20 0.52 -0.12 -0.51 118.94 121.97 1rul s TRP 35 Ca 0.25 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1rul s TRP 35 Cb -0.10 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1rul s TRP 35 CO 0.16 0.08 -0.11 -0.51 0.02 0.00 0.00 176.95 176.60 1rul s LEU 36 N -0.89 2.26 -0.10 2.99 1.02 0.65 -1.63 118.68 122.98 1rul s LEU 36 Ca 0.11 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 53.72 1rul s LEU 36 Cb -0.10 -0.35 -0.01 0.00 0.02 0.00 0.00 46.19 45.75 1rul s LEU 36 CO 0.01 -0.13 -0.18 -0.22 0.02 0.00 0.00 176.35 175.85 1rul s LEU 37 N -1.60 2.44 -0.34 1.79 2.96 -0.76 -0.67 118.68 122.50 1rul s LEU 37 Ca -0.06 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1rul s LEU 37 Cb -0.10 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 45.14 1rul s LEU 37 CO 0.01 0.20 0.09 -1.58 -1.32 0.00 0.00 176.35 173.75 1rul s GLN 38 N 0.13 2.41 0.60 1.98 0.74 0.13 -1.05 119.66 124.60 1rul s GLN 38 Ca -0.09 -1.36 -0.14 0.00 0.05 0.00 0.00 55.36 53.81 1rul s GLN 38 Cb -0.16 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1rul s GLN 38 CO 0.06 -0.74 1.04 1.03 -0.55 0.00 0.00 175.29 176.12 1rul s ARG 39 N 1.28 3.39 0.09 1.67 0.52 -1.26 -0.47 118.95 124.18 1rul s ARG 39 Ca -0.01 1.03 -0.35 0.00 -0.52 0.00 0.00 55.73 55.89 1rul s ARG 39 Cb -0.20 -2.05 -0.14 0.00 0.52 0.00 0.00 34.95 33.07 1rul s ARG 39 CO -0.00 -0.74 1.56 -2.30 0.02 0.00 0.00 175.30 173.84 1rul n PRO 40 N -2.29 1.84 -0.92 3.54 -0.02 -1.26 -1.54 135.00 134.35 1rul n PRO 40 Ca 0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1rul n PRO 40 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1rul n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rul n GLY 41 N 3.33 0.77 3.73 -1.23 0.00 -1.26 -5.01 105.19 105.53 1rul n GLY 41 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1rul n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rul s GLN 42 N -0.20 2.16 0.50 1.61 -0.21 -0.59 -5.13 119.66 117.80 1rul s GLN 42 Ca 0.00 -2.36 -0.09 0.00 0.02 0.00 0.00 55.36 52.92 1rul s GLN 42 Cb 0.00 -1.47 -0.05 0.00 1.00 0.00 0.00 33.01 32.49 1rul s GLN 42 CO 0.00 -0.35 0.86 -1.54 -2.12 0.00 0.00 175.29 172.15 1rul s SER 43 N -3.84 6.37 0.56 5.90 1.04 -1.26 -4.65 113.70 117.81 1rul s SER 43 Ca 0.09 1.18 -0.20 0.00 0.48 0.00 0.00 55.95 57.50 1rul s SER 43 Cb 0.02 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.74 1rul s SER 43 CO 0.05 -0.60 1.17 -2.65 0.98 0.00 0.00 173.24 172.19 1rul n PRO 44 N -2.04 1.29 -4.16 4.02 -0.02 -1.26 -4.57 135.00 128.26 1rul n PRO 44 Ca 0.03 0.49 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 1rul n PRO 44 Cb 0.54 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 1rul n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1rul s LYS 45 N -2.80 0.81 0.59 -0.52 1.02 -0.22 -4.96 119.74 113.66 1rul s LYS 45 Ca 0.74 -1.03 -0.19 0.00 0.02 0.00 0.00 55.97 55.50 1rul s LYS 45 Cb -0.43 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 1rul s LYS 45 CO 0.48 0.12 1.23 -0.98 -0.92 0.00 0.00 175.35 175.29 1rul s ARG 46 N -2.21 2.98 0.22 1.68 1.70 -1.26 -1.84 118.95 120.22 1rul s ARG 46 Ca 0.01 1.89 0.00 0.00 -0.47 0.00 0.00 55.73 57.16 1rul s ARG 46 Cb -0.07 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.34 1rul s ARG 46 CO 0.01 -1.22 0.00 1.28 -1.08 0.00 0.00 175.30 174.29 1rul n LEU 47 N -1.51 0.31 -4.11 -1.89 4.77 -0.64 -4.76 117.00 109.16 1rul n LEU 47 Ca 0.13 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.29 1rul n LEU 47 Cb 0.49 0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1rul n LEU 47 CO 0.46 -0.78 -0.45 -0.63 -1.33 0.00 0.00 177.39 174.65 1rul s ILE 48 N -1.99 0.96 0.15 -0.08 -1.09 -1.05 -0.62 121.20 117.48 1rul s ILE 48 Ca 0.00 -0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 57.49 1rul s ILE 48 Cb 0.00 -0.87 -0.02 0.00 -1.58 0.00 0.00 42.46 39.99 1rul s ILE 48 CO 0.00 0.01 0.20 -0.72 -1.23 0.00 0.00 174.94 173.20 1rul s TYR 49 N -0.76 0.53 -1.55 3.97 1.13 -0.49 -0.94 117.35 119.23 1rul s TYR 49 Ca 0.01 -0.90 -0.01 0.00 -1.41 0.00 0.00 57.07 54.75 1rul s TYR 49 Cb -0.07 -0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 1rul s TYR 49 CO 0.01 -0.64 0.13 1.28 -2.51 0.00 0.00 175.55 173.81 1rul n LEU 50 N -0.16 -1.86 0.00 -3.49 4.77 -1.15 -1.15 117.00 113.96 1rul n LEU 50 Ca -0.07 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1rul n LEU 50 Cb 0.63 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 1rul n LEU 50 CO 0.26 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1rul n GLY 51 N -1.06 0.81 0.00 -0.72 0.00 -0.70 -4.23 105.19 99.28 1rul n GLY 51 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1rul n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rul n THR 52 N 0.00 0.07 -3.83 2.61 -2.24 -1.19 -3.90 114.28 105.80 1rul n THR 52 Ca 0.00 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.28 1rul n THR 52 Cb 0.00 1.46 -0.06 0.00 -2.10 0.00 0.00 70.33 69.63 1rul n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1rul s LYS 53 N -0.07 3.55 -0.12 -0.78 2.20 -0.30 -4.61 119.74 119.62 1rul s LYS 53 Ca 0.00 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 1rul s LYS 53 Cb 0.00 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1rul s LYS 53 CO 0.00 0.73 1.23 -1.17 -0.36 0.00 0.00 175.35 175.77 1rul s LEU 54 N -0.90 4.22 0.98 5.43 2.96 -1.26 -1.40 118.68 128.71 1rul s LEU 54 Ca 0.15 1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.68 1rul s LEU 54 Cb -0.12 -3.55 0.18 0.00 0.50 0.00 0.00 46.19 43.20 1rul s LEU 54 CO 0.04 -0.68 1.09 -0.62 -1.32 0.00 0.00 176.35 174.86 1rul s ASP 55 N 1.73 2.75 -0.04 3.68 -1.08 0.21 -4.86 116.67 119.05 1rul s ASP 55 Ca 0.55 1.31 -0.32 0.00 -0.52 0.00 0.00 52.55 53.57 1rul s ASP 55 Cb -0.23 -1.99 -0.10 0.00 -1.46 0.00 0.00 42.92 39.14 1rul s ASP 55 CO 0.18 -3.07 1.96 -0.24 0.52 0.00 0.00 175.17 174.52 1rul n SER 56 N -4.15 3.77 -0.17 -0.34 2.88 -1.26 -1.86 113.62 112.49 1rul n SER 56 Ca 0.06 0.87 -0.02 0.00 -1.33 0.00 0.00 58.87 58.44 1rul n SER 56 Cb 0.56 -1.46 -0.01 0.00 -0.75 0.00 0.00 64.21 62.56 1rul n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rul n GLY 57 N 4.63 0.53 3.76 0.46 0.00 -1.26 -5.02 105.19 108.29 1rul n GLY 57 Ca 0.22 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1rul n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rul s VAL 58 N -1.87 4.24 0.29 1.61 1.01 -0.78 -5.00 120.40 119.90 1rul s VAL 58 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 1rul s VAL 58 Cb 0.00 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 1rul s VAL 58 CO 0.00 0.50 1.10 -2.65 0.00 0.00 0.00 175.10 174.04 1rul n PRO 59 N 1.64 1.53 0.00 2.72 -0.02 -1.26 -4.84 135.00 134.77 1rul n PRO 59 Ca -0.03 0.54 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1rul n PRO 59 Cb 0.48 -1.97 0.39 0.00 -0.02 0.00 0.00 33.50 32.38 1rul n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1rul n ASP 60 N 1.25 0.00 0.18 2.55 5.75 -1.26 -2.59 116.55 122.43 1rul n ASP 60 Ca 0.09 -0.71 0.14 0.00 -0.01 0.00 0.00 54.79 54.30 1rul n ASP 60 Cb 0.32 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 40.94 1rul n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1rul h ARG 61 N 0.00 0.00 -5.79 0.11 3.08 -1.95 -3.42 114.38 106.41 1rul h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1rul h ARG 61 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1rul h ARG 61 CO 0.00 0.00 -0.18 -0.06 -1.07 0.00 0.00 179.97 178.66 1rul s PHE 62 N -3.41 3.57 -0.05 3.04 0.08 -1.07 -1.93 117.98 118.22 1rul s PHE 62 Ca 0.04 0.89 0.01 0.00 0.12 0.00 0.00 56.93 57.99 1rul s PHE 62 Cb 0.09 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1rul s PHE 62 CO 0.48 0.32 -0.06 0.99 -0.10 0.00 0.00 175.22 176.85 1rul s THR 63 N 0.08 0.67 -0.12 0.64 2.01 -0.33 -4.93 115.64 113.66 1rul s THR 63 Ca 0.24 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1rul s THR 63 Cb -0.15 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1rul s THR 63 CO 0.10 0.25 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.38 1rul s GLY 64 N 0.80 1.66 0.23 4.40 0.00 -1.26 0.70 107.32 113.86 1rul s GLY 64 Ca -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1rul s GLY 64 CO 0.01 -0.33 0.13 -1.35 0.00 0.00 0.00 173.10 171.56 1rul s SER 65 N -0.08 0.68 0.00 1.64 1.04 0.08 -4.32 113.70 112.73 1rul s SER 65 Ca 0.00 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1rul s SER 65 Cb -0.13 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1rul s SER 65 CO 0.03 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1rul n GLY 66 N -0.38 -1.92 3.87 7.32 0.00 -1.26 -0.90 105.19 111.93 1rul n GLY 66 Ca 0.02 -2.21 -0.00 0.00 0.00 0.00 0.00 46.02 43.83 1rul n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rul s SER 67 N -0.46 -0.02 0.77 1.61 1.04 -0.86 -4.94 113.70 110.84 1rul s SER 67 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1rul s SER 67 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1rul s SER 67 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1rul n GLY 68 N -0.73 0.37 0.00 7.32 0.00 -1.26 -1.79 105.19 109.10 1rul n GLY 68 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1rul n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rul n THR 69 N 0.00 0.00 -3.99 2.61 -2.24 -1.26 -4.32 114.28 105.08 1rul n THR 69 Ca 0.00 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 1rul n THR 69 Cb 0.00 0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 68.82 1rul n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rul s ASP 70 N -1.46 4.49 0.07 3.42 1.11 -0.74 -1.66 116.67 121.91 1rul s ASP 70 Ca 0.00 -0.32 0.06 0.00 0.18 0.00 0.00 52.55 52.47 1rul s ASP 70 Cb 0.00 -1.77 -0.03 0.00 1.07 0.00 0.00 42.92 42.19 1rul s ASP 70 CO 0.00 0.01 -0.17 -0.36 1.18 0.00 0.00 175.17 175.83 1rul s PHE 71 N 1.30 1.46 -0.02 4.23 0.40 -0.07 -2.02 117.98 123.26 1rul s PHE 71 Ca 0.04 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1rul s PHE 71 Cb -0.14 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.55 1rul s PHE 71 CO -0.01 0.10 -0.08 0.99 0.70 0.00 0.00 175.22 176.92 1rul s THR 72 N -1.06 0.65 -0.16 0.64 2.01 -0.08 -1.23 115.64 116.41 1rul s THR 72 Ca 0.03 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1rul s THR 72 Cb -0.09 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1rul s THR 72 CO 0.02 0.20 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.90 1rul s LEU 73 N 0.12 3.18 0.05 4.42 2.96 0.00 -0.75 118.68 128.68 1rul s LEU 73 Ca -0.02 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1rul s LEU 73 Cb -0.07 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1rul s LEU 73 CO 0.00 0.15 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.41 1rul s LYS 74 N 0.45 1.55 -0.21 1.98 1.02 0.22 -1.63 119.74 123.11 1rul s LYS 74 Ca -0.04 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 1rul s LYS 74 Cb -0.14 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1rul s LYS 74 CO 0.03 0.44 -0.06 0.42 -0.92 0.00 0.00 175.35 175.26 1rul s ILE 75 N -0.83 3.23 0.09 2.17 1.01 0.20 -1.18 121.20 125.88 1rul s ILE 75 Ca 0.10 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.98 1rul s ILE 75 Cb -0.09 -2.46 -0.14 0.00 0.01 0.00 0.00 42.46 39.77 1rul s ILE 75 CO 0.02 0.44 1.73 0.77 0.00 0.00 0.00 174.94 177.90 1rul h SER 76 N 8.08 0.02 -3.23 3.58 4.64 -1.67 -1.22 113.55 123.76 1rul h SER 76 Ca -0.42 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 60.51 1rul h SER 76 Cb 1.16 -0.01 -0.39 0.00 -0.31 0.00 0.00 62.40 62.86 1rul h SER 76 CO 0.61 0.04 -0.72 -0.13 -0.87 0.00 0.00 176.83 175.75 1rul s ARG 77 N -6.11 -0.04 0.12 4.77 0.52 -1.26 -3.36 118.95 113.59 1rul s ARG 77 Ca -0.13 0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.13 1rul s ARG 77 Cb 0.06 -0.64 -0.06 0.00 0.52 0.00 0.00 34.95 34.82 1rul s ARG 77 CO 0.66 -0.37 1.08 0.08 0.02 0.00 0.00 175.30 176.77 1rul s VAL 78 N 2.19 4.13 0.19 3.52 1.01 0.92 -4.81 120.40 127.54 1rul s VAL 78 Ca 0.04 1.71 0.08 0.00 0.00 0.00 0.00 61.98 63.82 1rul s VAL 78 Cb -0.13 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1rul s VAL 78 CO -0.04 0.24 -0.03 -1.61 0.00 0.00 0.00 175.10 173.65 1rul s GLU 79 N 0.16 2.29 0.45 2.72 2.02 -1.26 -0.58 118.70 124.50 1rul s GLU 79 Ca 0.51 -1.19 0.16 0.00 0.02 0.00 0.00 54.97 54.48 1rul s GLU 79 Cb -0.27 -2.28 1.10 0.00 0.10 0.00 0.00 34.13 32.78 1rul s GLU 79 CO 0.32 0.44 1.97 0.00 0.02 0.00 0.00 175.26 178.01 1rul h ALA 80 N 2.67 2.13 0.00 5.21 0.00 -1.97 0.24 119.26 127.54 1rul h ALA 80 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1rul h ALA 80 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rul h ALA 80 CO 0.57 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.93 1rul n GLU 81 N -4.46 0.19 0.00 0.00 1.02 -1.26 -2.26 120.64 113.88 1rul n GLU 81 Ca 0.11 0.16 0.15 0.00 -0.02 0.00 0.00 57.16 57.55 1rul n GLU 81 Cb 0.45 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 31.06 1rul n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rul n ASP 82 N -1.29 0.67 -4.76 1.62 8.00 0.85 -4.91 116.55 116.73 1rul n ASP 82 Ca 0.06 -1.02 -0.34 0.00 0.71 0.00 0.00 54.79 54.20 1rul n ASP 82 Cb 0.11 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.23 1rul n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1rul s LEU 83 N -2.17 3.53 0.00 0.64 0.05 -0.96 -4.89 118.68 114.89 1rul s LEU 83 Ca 0.38 2.15 0.00 0.00 0.05 0.00 0.00 54.13 56.71 1rul s LEU 83 Cb 0.21 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.78 1rul s LEU 83 CO 0.40 -1.58 0.00 0.61 -0.55 0.00 0.00 176.35 175.22 1rul n GLY 84 N -0.06 0.82 3.42 -3.48 0.00 -0.88 -4.57 105.19 100.45 1rul n GLY 84 Ca 0.12 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 1rul n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rul s VAL 85 N -3.06 3.56 -0.18 1.61 1.01 0.38 -0.84 120.40 122.88 1rul s VAL 85 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1rul s VAL 85 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1rul s VAL 85 CO 0.00 0.48 0.11 -0.31 0.00 0.00 0.00 175.10 175.38 1rul s TYR 86 N 0.61 3.38 0.06 5.22 1.51 0.36 0.18 117.35 128.67 1rul s TYR 86 Ca -0.04 0.28 0.09 0.00 -1.01 0.00 0.00 57.07 56.39 1rul s TYR 86 Cb -0.15 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1rul s TYR 86 CO 0.03 0.33 -0.24 0.71 -1.11 0.00 0.00 175.55 175.26 1rul s TYR 87 N 0.10 2.14 0.24 2.71 2.02 0.16 0.02 117.35 124.73 1rul s TYR 87 Ca 0.08 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.44 1rul s TYR 87 Cb -0.12 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 1rul s TYR 87 CO -0.00 0.14 0.29 0.00 -1.57 0.00 0.00 175.55 174.41 1rul s TRP 89 N -2.03 -0.24 -0.09 0.00 -0.00 0.33 -0.83 118.94 116.08 1rul s TRP 89 Ca 0.33 0.59 0.03 0.00 -0.00 0.00 0.00 56.10 57.05 1rul s TRP 89 Cb -0.09 0.08 -0.02 0.00 -0.00 0.00 0.00 33.47 33.45 1rul s TRP 89 CO 0.27 -0.12 -0.17 1.14 -0.00 0.00 0.00 176.95 178.08 1rul s GLN 90 N 0.13 2.90 -0.04 5.86 1.03 -0.48 -0.81 119.66 128.24 1rul s GLN 90 Ca -0.00 -0.75 0.11 0.00 0.04 0.00 0.00 55.36 54.77 1rul s GLN 90 Cb -0.02 -2.43 0.34 0.00 0.03 0.00 0.00 33.01 30.93 1rul s GLN 90 CO 0.00 0.38 1.28 0.41 -2.54 0.00 0.00 175.29 174.82 1rul n GLY 91 N 3.00 3.11 0.11 2.60 0.00 -0.46 -3.01 105.19 110.54 1rul n GLY 91 Ca -0.18 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 1rul n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rul h THR 92 N 1.81 0.84 -3.11 2.61 2.02 -1.95 -3.46 112.91 111.67 1rul h THR 92 Ca 0.00 -2.61 -0.67 0.00 0.77 0.00 0.00 66.41 63.90 1rul h THR 92 Cb 0.88 2.52 -0.35 0.00 -1.74 0.00 0.00 68.15 69.47 1rul h THR 92 CO 0.05 0.70 -0.86 -1.00 0.37 0.00 0.00 175.52 174.78 1rul s HIS 93 N -2.59 2.70 0.36 3.16 3.76 -1.26 -5.06 115.29 116.36 1rul s HIS 93 Ca -0.11 -1.52 -0.27 0.00 -0.15 0.00 0.00 55.06 53.01 1rul s HIS 93 Cb 0.07 -1.86 -0.09 0.00 1.11 0.00 0.00 32.58 31.81 1rul s HIS 93 CO 0.81 -0.73 1.24 0.12 -0.85 0.00 0.00 174.74 175.32 1rul s PHE 94 N 1.13 3.07 0.45 1.40 2.19 -1.26 -3.36 117.98 121.60 1rul s PHE 94 Ca 0.01 1.49 -0.19 0.00 0.33 0.00 0.00 56.93 58.57 1rul s PHE 94 Cb -0.14 -3.54 -0.10 0.00 -1.31 0.00 0.00 43.02 37.93 1rul s PHE 94 CO -0.09 -1.57 0.94 -1.25 1.83 0.00 0.00 175.22 175.08 1rul s PRO 95 N -2.01 4.13 0.41 10.12 0.04 -1.26 -4.87 135.00 141.56 1rul s PRO 95 Ca 0.53 1.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 1rul s PRO 95 Cb -0.36 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 1rul s PRO 95 CO 0.46 -0.08 1.29 0.71 0.04 0.00 0.00 177.00 179.41 1rul s TYR 96 N -2.29 2.84 0.04 0.56 2.02 -1.21 -4.66 117.35 114.65 1rul s TYR 96 Ca 0.61 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.73 1rul s TYR 96 Cb -0.09 -3.64 -0.03 0.00 -0.40 0.00 0.00 41.96 37.80 1rul s TYR 96 CO 0.18 -2.01 -0.04 0.95 -1.57 0.00 0.00 175.55 173.06 1rul s THR 97 N -1.28 0.28 -0.01 -0.71 -4.23 -1.16 -5.00 115.64 103.52 1rul s THR 97 Ca 0.57 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1rul s THR 97 Cb -0.37 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 1rul s THR 97 CO 0.48 -0.67 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.50 1rul s PHE 98 N -2.41 3.02 1.07 3.99 0.40 -1.26 -1.38 117.98 121.40 1rul s PHE 98 Ca -0.05 0.05 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 1rul s PHE 98 Cb -0.03 -1.67 0.23 0.00 0.51 0.00 0.00 43.02 42.06 1rul s PHE 98 CO -0.04 0.43 1.08 0.20 0.70 0.00 0.00 175.22 177.58 1rul s GLY 99 N -1.39 1.61 0.00 4.36 0.00 -0.01 -4.63 107.32 107.25 1rul s GLY 99 Ca 0.18 0.20 0.26 0.00 0.00 0.00 0.00 44.72 45.35 1rul s GLY 99 CO 0.08 0.79 1.86 0.61 0.00 0.00 0.00 173.10 176.44 1rul n GLY 100 N 0.63 -1.27 0.00 0.20 0.00 -1.26 -4.72 105.19 98.77 1rul n GLY 100 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1rul n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rul n GLY 101 N 1.04 0.64 3.04 -0.02 0.00 -1.26 -5.04 105.19 103.59 1rul n GLY 101 Ca 0.09 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1rul n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rul s THR 102 N -2.31 1.55 -0.21 2.61 2.01 0.10 -4.80 115.64 114.59 1rul s THR 102 Ca 0.00 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 1rul s THR 102 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1rul s THR 102 CO 0.00 0.45 0.44 -0.75 -0.69 0.00 0.00 174.62 174.07 1rul s LYS 103 N 1.19 4.15 -0.30 4.92 2.20 -0.45 -0.49 119.74 130.96 1rul s LYS 103 Ca -0.02 0.25 -0.16 0.00 -0.36 0.00 0.00 55.97 55.68 1rul s LYS 103 Cb -0.14 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 1rul s LYS 103 CO -0.05 -0.12 0.43 -1.17 -0.36 0.00 0.00 175.35 174.07 1rul s LEU 104 N 1.57 4.16 0.07 5.43 2.96 -0.02 -0.81 118.68 132.04 1rul s LEU 104 Ca 0.20 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 1rul s LEU 104 Cb -0.15 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1rul s LEU 104 CO 0.09 -0.29 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.11 1rul s GLU 105 N 2.18 2.21 -0.17 1.98 2.02 0.09 -2.08 118.70 124.93 1rul s GLU 105 Ca 0.16 -0.95 -0.15 0.00 0.02 0.00 0.00 54.97 54.06 1rul s GLU 105 Cb -0.16 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 1rul s GLU 105 CO 0.11 0.53 0.34 0.42 0.02 0.00 0.00 175.26 176.68 1rul s ILE 106 N -1.13 5.27 0.03 -1.63 -1.09 -1.26 -0.86 121.20 120.53 1rul s ILE 106 Ca 0.20 0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 59.00 1rul s ILE 106 Cb -0.11 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1rul s ILE 106 CO 0.11 0.34 0.71 -0.75 -1.23 0.00 0.00 174.94 174.12 1rul s LYS 107 N 0.76 4.44 0.32 2.79 2.20 -0.54 -4.82 119.74 124.89 1rul s LYS 107 Ca 0.18 0.95 -0.13 0.00 -0.36 0.00 0.00 55.97 56.61 1rul s LYS 107 Cb -0.14 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1rul s LYS 107 CO 0.06 0.31 0.63 -0.98 -0.36 0.00 0.00 175.35 175.00 1rul s ARG 108 N -0.08 1.92 0.37 4.03 1.70 -1.26 -4.37 118.95 121.27 1rul s ARG 108 Ca 0.36 -1.39 -0.28 0.00 -0.47 0.00 0.00 55.73 53.96 1rul s ARG 108 Cb -0.20 0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 1rul s ARG 108 CO 0.21 -0.85 1.36 0.00 -1.08 0.00 0.00 175.30 174.93 1rul s ALA 109 N -3.18 3.44 0.72 7.88 0.00 -1.26 -4.95 121.76 124.41 1rul s ALA 109 Ca 0.20 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.34 1rul s ALA 109 Cb -0.03 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1rul s ALA 109 CO 0.12 -0.83 0.82 -0.25 0.00 0.00 0.00 175.76 175.63 1rul n ASP 110 N 0.48 -0.08 -3.68 0.00 9.92 -1.26 -4.77 116.55 117.17 1rul n ASP 110 Ca 0.01 0.64 -0.10 0.00 -0.53 0.00 0.00 54.79 54.82 1rul n ASP 110 Cb 0.42 -1.34 -0.10 0.00 -0.64 0.00 0.00 41.12 39.45 1rul n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rul s ALA 111 N -1.85 -1.08 0.50 2.24 0.00 0.81 -4.86 121.76 117.52 1rul s ALA 111 Ca 0.71 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.97 1rul s ALA 111 Cb -0.35 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 21.61 1rul s ALA 111 CO 0.53 -0.46 1.09 0.00 0.00 0.00 0.00 175.76 176.91 1rul s ALA 112 N 1.89 2.84 0.59 0.00 0.00 -1.26 -0.51 121.76 125.31 1rul s ALA 112 Ca -0.06 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1rul s ALA 112 Cb -0.10 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1rul s ALA 112 CO -0.13 -0.51 1.10 -1.25 0.00 0.00 0.00 175.76 174.97 1rul s PRO 113 N -3.12 3.17 -0.38 0.00 0.04 -1.26 -4.46 135.00 129.00 1rul s PRO 113 Ca 0.68 1.43 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 1rul s PRO 113 Cb -0.21 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1rul s PRO 113 CO 0.25 -0.96 0.52 0.99 0.04 0.00 0.00 177.00 177.84 1rul s THR 114 N -2.13 4.99 -0.18 1.26 2.01 0.55 -4.86 115.64 117.28 1rul s THR 114 Ca 0.68 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.75 1rul s THR 114 Cb -0.20 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1rul s THR 114 CO 0.34 -0.32 0.19 -0.69 -0.69 0.00 0.00 174.62 173.44 1rul s VAL 115 N 2.43 5.37 -0.06 3.82 1.01 -1.26 -1.60 120.40 130.11 1rul s VAL 115 Ca 0.18 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1rul s VAL 115 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1rul s VAL 115 CO 0.14 0.42 -0.05 -0.44 0.00 0.00 0.00 175.10 175.18 1rul s SER 116 N 0.37 1.37 0.05 3.32 0.01 -0.91 -4.93 113.70 112.97 1rul s SER 116 Ca 0.11 -0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.27 1rul s SER 116 Cb -0.12 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 1rul s SER 116 CO 0.00 -0.08 -0.15 -0.51 0.41 0.00 0.00 173.24 172.91 1rul s ILE 117 N 1.23 3.03 -0.08 1.44 2.07 -1.26 -0.72 121.20 126.90 1rul s ILE 117 Ca -0.06 -1.15 -0.00 0.00 -1.41 0.00 0.00 60.65 58.03 1rul s ILE 117 Cb -0.14 -2.32 0.02 0.00 0.13 0.00 0.00 42.46 40.16 1rul s ILE 117 CO -0.02 0.29 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.90 1rul s PHE 118 N -1.00 1.01 1.03 3.50 0.40 0.19 -4.99 117.98 118.13 1rul s PHE 118 Ca 0.16 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1rul s PHE 118 Cb -0.11 -0.94 0.21 0.00 0.51 0.00 0.00 43.02 42.69 1rul s PHE 118 CO 0.07 -0.36 1.08 -2.14 0.70 0.00 0.00 175.22 174.58 1rul s PRO 119 N 1.58 0.13 0.55 0.24 0.02 -1.26 -1.92 135.00 134.35 1rul s PRO 119 Ca 0.00 1.14 -0.21 0.00 0.02 0.00 0.00 61.00 61.95 1rul s PRO 119 Cb -0.13 -1.65 -0.04 0.00 0.02 0.00 0.00 34.50 32.69 1rul s PRO 119 CO -0.04 -3.10 1.31 -2.14 -0.33 0.00 0.00 177.00 172.69 1rul s PRO 120 N -4.59 3.12 0.60 5.54 0.02 -1.19 -4.77 135.00 133.73 1rul s PRO 120 Ca 0.67 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 63.64 1rul s PRO 120 Cb -0.23 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 1rul s PRO 120 CO 0.61 -1.16 1.04 -1.54 -0.33 0.00 0.00 177.00 175.62 1rul s SER 121 N -1.15 5.87 0.36 2.53 1.04 -1.26 -4.91 113.70 116.18 1rul s SER 121 Ca 0.73 1.72 0.04 0.00 0.48 0.00 0.00 55.95 58.91 1rul s SER 121 Cb -0.37 -2.52 0.69 0.00 0.10 0.00 0.00 66.02 63.92 1rul s SER 121 CO 0.43 -1.11 2.01 0.28 0.98 0.00 0.00 173.24 175.83 1rul h SER 122 N 0.27 0.68 -0.44 7.02 0.02 -1.99 -1.00 113.55 118.10 1rul h SER 122 Ca -0.46 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1rul h SER 122 Cb 1.21 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1rul h SER 122 CO 0.58 0.48 -0.06 -0.33 -1.14 0.00 0.00 176.83 176.37 1rul h GLU 123 N 0.80 0.82 -0.28 3.45 3.07 -2.00 -2.28 114.58 118.15 1rul h GLU 123 Ca 0.23 -0.29 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1rul h GLU 123 Cb -0.04 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1rul h GLU 123 CO -0.06 0.91 -0.20 0.37 -1.40 0.00 0.00 179.01 178.63 1rul h GLN 124 N 0.65 0.52 -0.62 2.33 4.15 -1.69 -2.33 115.11 118.12 1rul h GLN 124 Ca 0.12 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1rul h GLN 124 Cb 0.57 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1rul h GLN 124 CO 0.03 0.69 0.34 -0.07 -1.93 0.00 0.00 178.83 177.90 1rul h LEU 125 N 0.46 0.75 -1.31 -2.39 3.38 -0.99 0.14 115.31 115.36 1rul h LEU 125 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rul h LEU 125 Cb 0.61 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rul h LEU 125 CO 0.04 0.61 0.00 0.71 0.09 0.00 0.00 178.44 179.89 1rul h THR 126 N 0.86 0.00 0.00 0.22 1.35 -0.84 -0.97 112.91 113.52 1rul h THR 126 Ca 0.22 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1rul h THR 126 Cb 0.01 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1rul h THR 126 CO -0.04 0.00 -0.21 0.77 -0.25 0.00 0.00 175.52 175.79 1rul h SER 127 N 0.00 0.00 0.00 5.36 4.64 -0.65 -3.47 113.55 119.43 1rul h SER 127 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1rul h SER 127 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1rul h SER 127 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1rul n GLY 128 N 1.20 0.67 3.39 -0.77 0.00 -0.37 -5.03 105.19 104.28 1rul n GLY 128 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1rul n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rul s GLY 129 N -1.97 1.61 -0.17 -0.02 0.00 -1.20 -0.51 107.32 105.06 1rul s GLY 129 Ca 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 44.72 43.10 1rul s GLY 129 CO 0.00 -1.61 0.21 0.00 0.00 0.00 0.00 173.10 171.69 1rul s ALA 130 N -1.73 -0.23 -0.15 3.20 0.00 0.18 -3.72 121.76 119.32 1rul s ALA 130 Ca 0.19 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1rul s ALA 130 Cb -0.08 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1rul s ALA 130 CO 0.09 -1.05 -0.00 -1.12 0.00 0.00 0.00 175.76 173.68 1rul s SER 131 N 2.32 5.12 -0.26 0.00 0.01 -1.26 -1.41 113.70 118.21 1rul s SER 131 Ca 0.05 -0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.19 1rul s SER 131 Cb -0.15 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 1rul s SER 131 CO -0.10 0.21 0.17 -0.69 0.41 0.00 0.00 173.24 173.24 1rul s VAL 132 N 0.11 5.28 -0.05 3.43 1.01 -0.04 -3.16 120.40 126.97 1rul s VAL 132 Ca 0.01 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1rul s VAL 132 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1rul s VAL 132 CO 0.02 0.31 -0.13 -0.69 0.00 0.00 0.00 175.10 174.61 1rul s VAL 133 N 1.36 3.18 -0.09 2.92 1.01 -0.81 -0.03 120.40 127.94 1rul s VAL 133 Ca 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1rul s VAL 133 Cb -0.15 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1rul s VAL 133 CO 0.07 0.59 -0.09 0.00 0.00 0.00 0.00 175.10 175.67 1rul s PHE 135 N 1.29 3.57 -0.37 0.00 0.08 0.10 -0.71 117.98 121.95 1rul s PHE 135 Ca -0.03 0.51 0.04 0.00 0.12 0.00 0.00 56.93 57.57 1rul s PHE 135 Cb -0.14 -1.93 0.11 0.00 -0.57 0.00 0.00 43.02 40.49 1rul s PHE 135 CO -0.04 0.72 0.09 -0.51 -0.10 0.00 0.00 175.22 175.39 1rul s LEU 136 N -1.03 4.45 -0.03 -0.37 1.02 0.16 -2.15 118.68 120.73 1rul s LEU 136 Ca 0.15 -2.26 0.01 0.00 0.02 0.00 0.00 54.13 52.05 1rul s LEU 136 Cb -0.12 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 1rul s LEU 136 CO 0.04 -0.36 -0.03 0.20 0.02 0.00 0.00 176.35 176.22 1rul s ASN 137 N 0.76 4.90 -1.17 2.29 0.01 -0.63 0.63 114.94 121.73 1rul s ASN 137 Ca 0.12 -0.02 -0.06 0.00 -0.71 0.00 0.00 52.86 52.19 1rul s ASN 137 Cb -0.20 -1.26 -0.02 0.00 0.41 0.00 0.00 41.25 40.18 1rul s ASN 137 CO -0.08 0.32 0.84 0.59 -1.51 0.00 0.00 177.10 177.26 1rul n ASN 138 N 1.75 -3.86 -4.82 -1.22 4.13 -0.96 -0.33 115.26 109.95 1rul n ASN 138 Ca -0.16 -0.79 -0.22 0.00 1.68 0.00 0.00 54.58 55.09 1rul n ASN 138 Cb 0.53 -4.48 -0.05 0.00 -1.54 0.00 0.00 39.78 34.24 1rul n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1rul s PHE 139 N -3.49 2.73 -0.24 3.10 -0.12 -0.29 -4.60 117.98 115.07 1rul s PHE 139 Ca 0.24 -0.44 -0.16 0.00 -0.05 0.00 0.00 56.93 56.52 1rul s PHE 139 Cb -0.05 -1.95 0.07 0.00 -0.63 0.00 0.00 43.02 40.46 1rul s PHE 139 CO 0.78 0.09 0.61 -0.47 -0.05 0.00 0.00 175.22 176.19 1rul s TYR 140 N -2.45 -0.87 1.06 3.49 6.14 0.33 -1.29 117.35 123.76 1rul s TYR 140 Ca 0.43 1.84 -0.18 0.00 0.64 0.00 0.00 57.07 59.80 1rul s TYR 140 Cb -0.02 0.46 0.24 0.00 0.42 0.00 0.00 41.96 43.05 1rul s TYR 140 CO 0.26 -0.44 1.27 -1.25 0.64 0.00 0.00 175.55 176.03 1rul s PRO 141 N 1.26 -0.14 0.00 4.97 0.04 -1.26 -0.13 135.00 139.73 1rul s PRO 141 Ca -0.07 -0.38 0.20 0.00 0.04 0.00 0.00 61.00 60.79 1rul s PRO 141 Cb -0.06 -1.75 1.02 0.00 0.04 0.00 0.00 34.50 33.75 1rul s PRO 141 CO -0.13 -2.94 1.63 0.36 0.04 0.00 0.00 177.00 175.95 1rul n LYS 142 N -4.15 0.29 -3.43 4.56 2.85 -1.26 -4.73 118.16 112.30 1rul n LYS 142 Ca 0.16 0.09 -0.37 0.00 -1.05 0.00 0.00 58.31 57.14 1rul n LYS 142 Cb 0.59 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.41 1rul n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rul s ASP 143 N -2.56 6.51 -0.11 -5.58 1.01 -1.26 -5.05 116.67 109.63 1rul s ASP 143 Ca 0.19 0.60 -0.24 0.00 0.71 0.00 0.00 52.55 53.81 1rul s ASP 143 Cb 0.13 -2.23 0.06 0.00 1.01 0.00 0.00 42.92 41.90 1rul s ASP 143 CO 0.30 0.02 0.58 -0.51 0.21 0.00 0.00 175.17 175.77 1rul s ILE 144 N 0.75 0.01 0.06 0.77 2.07 -1.26 -4.64 121.20 118.96 1rul s ILE 144 Ca 0.20 -0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.40 1rul s ILE 144 Cb -0.14 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1rul s ILE 144 CO 0.07 -0.05 -0.11 0.20 -1.91 0.00 0.00 174.94 173.14 1rul s ASN 145 N -0.67 4.35 -0.02 4.50 -0.87 0.45 -4.94 114.94 117.74 1rul s ASN 145 Ca -0.08 -0.33 0.01 0.00 -1.57 0.00 0.00 52.86 50.90 1rul s ASN 145 Cb -0.03 -0.86 0.01 0.00 -0.02 0.00 0.00 41.25 40.35 1rul s ASN 145 CO 0.05 0.22 -0.05 0.54 -2.57 0.00 0.00 177.10 175.30 1rul s VAL 146 N -1.10 0.48 0.02 1.60 0.11 -1.26 0.14 120.40 120.40 1rul s VAL 146 Ca 0.19 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 1rul s VAL 146 Cb -0.11 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1rul s VAL 146 CO 0.11 0.17 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.12 1rul s LYS 147 N 0.39 1.28 -0.02 1.54 2.20 0.93 -4.97 119.74 121.08 1rul s LYS 147 Ca -0.05 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 1rul s LYS 147 Cb -0.08 -1.31 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 1rul s LYS 147 CO -0.00 0.34 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.71 1rul s TRP 148 N -0.68 2.98 0.03 4.03 0.52 -1.26 -1.00 118.94 123.57 1rul s TRP 148 Ca 0.06 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.27 1rul s TRP 148 Cb -0.08 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1rul s TRP 148 CO 0.01 0.40 -0.17 0.15 0.02 0.00 0.00 176.95 177.36 1rul s LYS 149 N -1.26 1.16 -0.23 4.98 1.02 -0.13 -1.15 119.74 124.14 1rul s LYS 149 Ca 0.16 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.36 1rul s LYS 149 Cb -0.11 -1.21 0.06 0.00 -0.52 0.00 0.00 37.83 36.05 1rul s LYS 149 CO 0.06 0.31 -0.07 0.42 -0.92 0.00 0.00 175.35 175.15 1rul s ILE 150 N -0.76 1.60 -1.37 2.17 1.01 0.27 -0.73 121.20 123.40 1rul s ILE 150 Ca 0.05 -1.20 -0.09 0.00 0.00 0.00 0.00 60.65 59.41 1rul s ILE 150 Cb -0.08 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1rul s ILE 150 CO 0.01 -0.03 1.15 0.47 0.00 0.00 0.00 174.94 176.54 1rul n ASP 151 N 4.66 -5.92 0.00 3.58 8.00 0.04 -2.44 116.55 124.46 1rul n ASP 151 Ca -0.13 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1rul n ASP 151 Cb 0.44 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.63 1rul n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rul n GLY 152 N -1.93 2.20 3.57 0.44 0.00 -1.26 -5.01 105.19 103.21 1rul n GLY 152 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1rul n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rul s SER 153 N -3.55 5.33 0.40 1.61 0.01 -1.02 -5.01 113.70 111.47 1rul s SER 153 Ca 0.00 -0.01 -0.27 0.00 1.31 0.00 0.00 55.95 56.98 1rul s SER 153 Cb 0.00 -1.91 -0.09 0.00 0.21 0.00 0.00 66.02 64.23 1rul s SER 153 CO 0.00 0.15 1.40 -0.70 0.41 0.00 0.00 173.24 174.50 1rul s GLU 154 N 0.50 3.96 -0.06 12.44 2.12 -1.26 -0.56 118.70 135.85 1rul s GLU 154 Ca 0.01 2.38 0.02 0.00 0.36 0.00 0.00 54.97 57.74 1rul s GLU 154 Cb -0.13 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.45 1rul s GLU 154 CO 0.01 -0.58 -0.10 0.50 -0.54 0.00 0.00 175.26 174.56 1rul s ARG 155 N -2.21 1.39 0.00 4.30 6.06 -0.30 -4.87 118.95 123.32 1rul s ARG 155 Ca 0.56 -0.32 0.00 0.00 -2.50 0.00 0.00 55.73 53.47 1rul s ARG 155 Cb -0.43 -1.20 0.00 0.00 0.06 0.00 0.00 34.95 33.38 1rul s ARG 155 CO 0.56 0.00 0.00 0.00 -2.50 0.00 0.00 175.30 173.37 1rul n GLN 156 N 3.83 3.09 -2.72 5.12 10.64 -1.26 -4.03 117.38 132.05 1rul n GLN 156 Ca -0.23 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.59 1rul n GLN 156 Cb 0.52 -0.61 -0.06 0.00 -0.86 0.00 0.00 30.24 29.23 1rul n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1rul s ASN 157 N -0.96 6.85 -1.16 2.61 0.02 -1.26 -3.53 114.94 117.51 1rul s ASN 157 Ca 0.00 1.81 0.00 0.00 -1.02 0.00 0.00 52.86 53.65 1rul s ASN 157 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.71 1rul s ASN 157 CO 0.00 -0.42 0.00 0.61 0.02 0.00 0.00 177.10 177.31 1rul n GLY 158 N -0.25 1.21 3.75 0.66 0.00 -1.26 -4.80 105.19 104.50 1rul n GLY 158 Ca 0.06 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1rul n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rul s VAL 159 N -2.37 5.38 -0.05 1.61 1.01 -1.23 -0.81 120.40 123.95 1rul s VAL 159 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1rul s VAL 159 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1rul s VAL 159 CO 0.00 0.45 -0.09 -0.76 0.00 0.00 0.00 175.10 174.69 1rul s LEU 160 N 0.23 1.58 0.15 3.92 1.43 0.04 -4.96 118.68 121.07 1rul s LEU 160 Ca 0.12 -0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 1rul s LEU 160 Cb -0.12 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1rul s LEU 160 CO 0.01 0.02 -0.17 0.20 0.23 0.00 0.00 176.35 176.63 1rul s ASN 161 N 0.63 3.89 0.29 2.29 0.02 -1.26 -0.32 114.94 120.47 1rul s ASN 161 Ca -0.11 -0.64 -0.08 0.00 -1.02 0.00 0.00 52.86 51.01 1rul s ASN 161 Cb -0.14 -0.53 -0.00 0.00 0.02 0.00 0.00 41.25 40.60 1rul s ASN 161 CO 0.02 0.14 0.47 -0.55 0.02 0.00 0.00 177.10 177.20 1rul s SER 162 N -2.47 0.34 0.20 -1.22 0.15 -0.32 -5.01 113.70 105.37 1rul s SER 162 Ca 0.21 -1.21 0.07 0.00 0.70 0.00 0.00 55.95 55.72 1rul s SER 162 Cb -0.09 0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 64.79 1rul s SER 162 CO 0.12 -1.22 -0.12 0.42 1.20 0.00 0.00 173.24 173.63 1rul s THR 164 N -3.52 1.57 0.99 6.45 -4.23 -0.24 -0.42 115.64 116.24 1rul s THR 164 Ca 0.26 -2.16 -0.12 0.00 -1.18 0.00 0.00 61.69 58.50 1rul s THR 164 Cb -0.00 -2.05 0.18 0.00 1.34 0.00 0.00 72.50 71.97 1rul s THR 164 CO 0.14 -0.59 1.08 -1.81 -0.54 0.00 0.00 174.62 172.90 1rul s ASP 165 N -3.29 2.55 0.42 3.99 1.01 -1.26 -4.57 116.67 115.52 1rul s ASP 165 Ca 0.22 1.64 -0.26 0.00 0.71 0.00 0.00 52.55 54.86 1rul s ASP 165 Cb 0.01 -2.29 -0.10 0.00 1.01 0.00 0.00 42.92 41.55 1rul s ASP 165 CO 0.06 -3.24 1.43 1.67 0.21 0.00 0.00 175.17 175.30 1rul n GLN 166 N -4.29 2.37 -3.02 8.23 7.27 -1.26 -4.68 117.38 121.99 1rul n GLN 166 Ca 0.07 0.84 -0.40 0.00 0.07 0.00 0.00 57.00 57.57 1rul n GLN 166 Cb 0.54 -2.61 -0.05 0.00 2.41 0.00 0.00 30.24 30.53 1rul n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1rul s ASP 167 N -0.35 6.93 0.48 1.69 -1.08 0.45 -4.95 116.67 119.83 1rul s ASP 167 Ca 0.58 1.12 0.30 0.00 -0.52 0.00 0.00 52.55 54.03 1rul s ASP 167 Cb -0.47 -2.41 1.08 0.00 -1.46 0.00 0.00 42.92 39.66 1rul s ASP 167 CO 0.60 -0.21 1.87 0.77 0.52 0.00 0.00 175.17 178.72 1rul h SER 168 N 7.01 0.00 -0.47 -0.34 4.64 -1.89 0.36 113.55 122.86 1rul h SER 168 Ca -0.37 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 1rul h SER 168 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1rul h SER 168 CO 0.78 0.00 -0.15 0.07 -0.87 0.00 0.00 176.83 176.65 1rul h LYS 169 N 0.00 0.93 0.00 4.77 2.10 -1.92 -3.37 116.57 119.08 1rul h LYS 169 Ca 0.00 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1rul h LYS 169 Cb 0.61 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1rul h LYS 169 CO 0.00 1.04 0.00 -0.40 -2.00 0.00 0.00 179.45 178.09 1rul n ASP 170 N -4.19 0.33 -0.93 7.07 5.68 -1.20 -5.02 116.55 118.29 1rul n ASP 170 Ca -0.00 -1.10 -0.11 0.00 -0.50 0.00 0.00 54.79 53.08 1rul n ASP 170 Cb 0.42 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.36 1rul n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1rul n SER 171 N -0.05 -4.19 -4.94 -1.12 7.64 0.13 -5.00 113.62 106.08 1rul n SER 171 Ca 0.00 0.22 -0.19 0.00 1.01 0.00 0.00 58.87 59.90 1rul n SER 171 Cb 0.30 -2.81 -0.01 0.00 -1.01 0.00 0.00 64.21 60.68 1rul n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1rul s THR 172 N -2.44 2.71 0.06 0.44 -4.23 -1.25 -4.73 115.64 106.21 1rul s THR 172 Ca 0.00 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.37 1rul s THR 172 Cb 0.00 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1rul s THR 172 CO 0.00 0.00 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.70 1rul s TYR 173 N -2.45 2.85 0.16 3.99 2.02 -0.41 -0.42 117.35 123.08 1rul s TYR 173 Ca 0.51 -0.08 0.07 0.00 -0.37 0.00 0.00 57.07 57.19 1rul s TYR 173 Cb -0.06 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1rul s TYR 173 CO 0.30 0.42 -0.14 -1.12 -1.57 0.00 0.00 175.55 173.44 1rul s SER 174 N -1.93 2.25 0.01 2.29 0.01 -1.26 -1.14 113.70 113.93 1rul s SER 174 Ca 0.21 -0.91 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 1rul s SER 174 Cb -0.11 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1rul s SER 174 CO 0.12 -0.16 0.01 -0.32 0.41 0.00 0.00 173.24 173.31 1rul s MET 175 N -3.12 0.28 -0.07 12.44 1.75 0.20 -1.07 119.30 129.72 1rul s MET 175 Ca 0.15 -0.43 0.05 0.00 -1.25 0.00 0.00 55.69 54.21 1rul s MET 175 Cb -0.03 0.11 -0.01 0.00 2.84 0.00 0.00 34.83 37.74 1rul s MET 175 CO 0.04 -0.05 -0.24 0.45 -0.65 0.00 0.00 175.02 174.58 1rul s SER 176 N -1.13 2.94 -0.04 1.11 0.15 0.44 0.39 113.70 117.57 1rul s SER 176 Ca -0.12 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.08 1rul s SER 176 Cb -0.07 -0.98 -0.01 0.00 -1.71 0.00 0.00 66.02 63.25 1rul s SER 176 CO -0.00 0.21 -0.21 -0.55 1.20 0.00 0.00 173.24 173.88 1rul s SER 177 N 0.02 2.56 -0.10 5.45 0.15 0.11 -1.17 113.70 120.72 1rul s SER 177 Ca -0.08 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.16 1rul s SER 177 Cb -0.15 -0.54 0.02 0.00 -1.71 0.00 0.00 66.02 63.64 1rul s SER 177 CO 0.05 0.22 -0.10 -0.89 1.20 0.00 0.00 173.24 173.72 1rul s THR 178 N -0.23 1.17 -0.28 6.45 2.01 0.56 -0.76 115.64 124.55 1rul s THR 178 Ca 0.01 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1rul s THR 178 Cb -0.11 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1rul s THR 178 CO 0.01 0.38 0.17 -0.22 -0.69 0.00 0.00 174.62 174.28 1rul s LEU 179 N 1.31 3.98 -0.13 4.42 2.96 0.96 -0.78 118.68 131.40 1rul s LEU 179 Ca -0.02 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1rul s LEU 179 Cb -0.14 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 1rul s LEU 179 CO -0.04 -0.08 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.89 1rul s THR 180 N 1.72 3.01 0.29 3.68 2.01 0.01 -0.86 115.64 125.51 1rul s THR 180 Ca 0.07 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1rul s THR 180 Cb -0.16 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 1rul s THR 180 CO 0.09 0.52 0.11 -0.76 -0.69 0.00 0.00 174.62 173.90 1rul s LEU 181 N 0.37 1.77 0.60 4.42 1.43 -0.50 -4.65 118.68 122.12 1rul s LEU 181 Ca -0.11 -1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 51.40 1rul s LEU 181 Cb -0.16 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.00 1rul s LEU 181 CO 0.06 -0.76 1.04 0.42 0.23 0.00 0.00 176.35 177.34 1rul s THR 182 N -3.60 4.01 0.35 5.49 -4.23 -1.26 -0.64 115.64 115.76 1rul s THR 182 Ca 0.36 0.88 0.03 0.00 -1.18 0.00 0.00 61.69 61.78 1rul s THR 182 Cb 0.07 -3.46 0.21 0.00 1.34 0.00 0.00 72.50 70.66 1rul s THR 182 CO 0.15 -0.63 1.95 0.50 -0.54 0.00 0.00 174.62 176.04 1rul h LYS 183 N 0.25 0.68 -0.81 3.99 3.64 -1.04 -2.14 116.57 121.13 1rul h LYS 183 Ca -0.46 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 1rul h LYS 183 Cb 1.21 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1rul h LYS 183 CO 0.58 0.55 0.34 -0.44 -2.27 0.00 0.00 179.45 178.21 1rul h ASP 184 N 0.68 1.10 -0.43 4.20 3.32 -1.92 -0.69 116.42 122.68 1rul h ASP 184 Ca 0.17 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1rul h ASP 184 Cb 0.11 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1rul h ASP 184 CO -0.02 0.96 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.16 1rul h GLU 185 N 1.17 0.90 -0.16 3.56 4.81 -1.78 -2.85 114.58 120.23 1rul h GLU 185 Ca 0.27 -0.41 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1rul h GLU 185 Cb 0.19 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1rul h GLU 185 CO -0.03 1.06 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.39 1rul h TYR 186 N 0.73 -0.02 0.00 0.92 3.20 -1.14 -1.30 116.97 119.36 1rul h TYR 186 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1rul h TYR 186 Cb 0.80 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1rul h TYR 186 CO 0.06 -0.03 0.00 0.39 -1.64 0.00 0.00 178.16 176.94 1rul n GLU 187 N -5.13 0.12 -0.02 1.82 -0.58 -0.29 -2.16 120.64 114.39 1rul n GLU 187 Ca -0.03 0.20 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 1rul n GLU 187 Cb 0.09 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.32 1rul n GLU 187 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1rul n ARG 188 N -1.27 0.67 -3.77 3.49 0.63 -0.50 -4.98 116.66 110.94 1rul n ARG 188 Ca 0.04 0.26 -0.22 0.00 -0.92 0.00 0.00 57.85 57.01 1rul n ARG 188 Cb 0.06 -1.74 -0.05 0.00 0.45 0.00 0.00 32.46 31.18 1rul n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1rul s HIS 189 N -2.58 2.69 -0.05 -0.14 3.76 -0.92 -5.08 115.29 112.97 1rul s HIS 189 Ca -0.11 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.25 1rul s HIS 189 Cb 0.07 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 1rul s HIS 189 CO 0.80 0.01 -0.12 0.09 -0.85 0.00 0.00 174.74 174.67 1rul n ASN 190 N -1.43 0.96 -4.77 1.40 4.13 -1.26 -4.72 115.26 109.58 1rul n ASN 190 Ca 0.02 0.15 -0.36 0.00 1.68 0.00 0.00 54.58 56.07 1rul n ASN 190 Cb 0.62 -0.36 -0.07 0.00 -1.54 0.00 0.00 39.78 38.44 1rul n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1rul s SER 191 N -5.90 6.39 -0.07 6.41 1.04 -1.26 0.55 113.70 120.86 1rul s SER 191 Ca -0.12 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.78 1rul s SER 191 Cb 0.04 -2.14 0.02 0.00 0.10 0.00 0.00 66.02 64.03 1rul s SER 191 CO 0.16 0.21 -0.11 -0.31 0.98 0.00 0.00 173.24 174.16 1rul s TYR 192 N 0.00 1.43 -0.02 5.02 1.51 -0.64 -0.78 117.35 123.87 1rul s TYR 192 Ca 0.14 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1rul s TYR 192 Cb -0.12 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1rul s TYR 192 CO 0.03 -0.31 -0.06 0.99 -1.11 0.00 0.00 175.55 175.10 1rul s THR 193 N 0.81 0.51 -0.17 -0.71 2.01 0.09 -1.78 115.64 116.41 1rul s THR 193 Ca -0.12 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 1rul s THR 193 Cb -0.15 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1rul s THR 193 CO 0.02 0.17 -0.09 0.00 -0.69 0.00 0.00 174.62 174.03 1rul s GLU 195 N 0.77 2.21 -0.12 0.00 2.02 -0.17 -0.83 118.70 122.59 1rul s GLU 195 Ca -0.03 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 1rul s GLU 195 Cb -0.15 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 1rul s GLU 195 CO 0.01 -0.22 -0.04 0.00 0.02 0.00 0.00 175.26 175.03 1rul s ALA 196 N 1.46 3.03 -0.26 5.21 0.00 0.28 -0.05 121.76 131.43 1rul s ALA 196 Ca 0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1rul s ALA 196 Cb -0.13 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1rul s ALA 196 CO -0.10 0.37 -0.05 0.95 0.00 0.00 0.00 175.76 176.94 1rul s THR 197 N -0.16 2.88 0.03 0.00 -4.23 0.12 0.26 115.64 114.54 1rul s THR 197 Ca 0.03 -1.13 0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1rul s THR 197 Cb -0.13 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 1rul s THR 197 CO 0.02 0.12 -0.15 -2.28 -0.54 0.00 0.00 174.62 171.80 1rul s HIS 198 N 1.30 1.29 0.57 3.99 2.46 -1.26 -0.41 115.29 123.22 1rul s HIS 198 Ca -0.01 -0.34 0.30 0.00 0.47 0.00 0.00 55.06 55.48 1rul s HIS 198 Cb -0.17 -0.77 1.46 0.00 -0.13 0.00 0.00 32.58 32.96 1rul s HIS 198 CO -0.04 0.03 1.85 1.57 -2.47 0.00 0.00 174.74 175.69 1rul h LYS 199 N 5.06 0.00 0.00 2.88 2.10 -1.95 0.16 116.57 124.82 1rul h LYS 199 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1rul h LYS 199 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1rul h LYS 199 CO 0.45 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.15 1rul n THR 200 N -3.95 1.69 -3.73 0.07 -2.24 -1.26 -4.65 114.28 100.21 1rul n THR 200 Ca 0.15 0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 62.33 1rul n THR 200 Cb 0.88 -1.51 -0.12 0.00 -2.10 0.00 0.00 70.33 67.49 1rul n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rul s SER 201 N -3.26 -0.36 0.41 3.42 0.15 0.56 -4.94 113.70 109.69 1rul s SER 201 Ca 0.00 0.66 0.22 0.00 0.70 0.00 0.00 55.95 57.54 1rul s SER 201 Cb 0.02 0.59 0.57 0.00 -1.71 0.00 0.00 66.02 65.50 1rul s SER 201 CO 0.07 -0.15 1.68 0.00 1.20 0.00 0.00 173.24 176.04 1rul h THR 202 N 5.32 0.44 -3.43 6.45 1.03 -1.82 -3.41 112.91 117.49 1rul h THR 202 Ca -0.34 -1.35 -0.66 0.00 -0.01 0.00 0.00 66.41 64.05 1rul h THR 202 Cb 1.18 1.99 -0.24 0.00 -1.07 0.00 0.00 68.15 70.01 1rul h THR 202 CO 0.33 0.22 -0.72 -0.94 -0.01 0.00 0.00 175.52 174.40 1rul s SER 203 N -6.22 4.36 0.95 0.00 1.04 -1.26 -5.10 113.70 107.46 1rul s SER 203 Ca 0.03 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.15 1rul s SER 203 Cb 0.08 -1.53 0.16 0.00 0.10 0.00 0.00 66.02 64.83 1rul s SER 203 CO 0.67 0.21 1.13 -2.16 0.98 0.00 0.00 173.24 174.07 1rul s PRO 204 N 0.08 0.76 -0.22 4.02 0.04 -1.26 -4.91 135.00 133.51 1rul s PRO 204 Ca -0.03 1.45 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 1rul s PRO 204 Cb -0.14 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1rul s PRO 204 CO 0.04 -2.78 0.43 0.42 0.04 0.00 0.00 177.00 175.16 1rul s ILE 205 N -2.63 5.16 -0.13 0.56 1.01 0.14 -4.91 121.20 120.41 1rul s ILE 205 Ca 0.67 0.76 0.03 0.00 0.00 0.00 0.00 60.65 62.10 1rul s ILE 205 Cb -0.23 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1rul s ILE 205 CO 0.59 0.20 -0.22 -0.69 0.00 0.00 0.00 174.94 174.82 1rul s VAL 206 N 1.64 2.14 -0.07 2.92 1.01 -1.26 -0.56 120.40 126.23 1rul s VAL 206 Ca 0.20 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1rul s VAL 206 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1rul s VAL 206 CO 0.09 0.55 -0.15 -0.54 0.00 0.00 0.00 175.10 175.04 1rul s LYS 207 N 0.62 1.97 0.15 2.72 -0.14 -0.01 -5.00 119.74 120.03 1rul s LYS 207 Ca -0.12 -0.54 -0.00 0.00 -1.36 0.00 0.00 55.97 53.95 1rul s LYS 207 Cb -0.16 -1.60 -0.04 0.00 -1.68 0.00 0.00 37.83 34.34 1rul s LYS 207 CO 0.03 0.10 0.05 -1.12 -0.76 0.00 0.00 175.35 173.65 1rul s SER 208 N 0.46 0.48 0.18 2.83 0.01 -1.26 0.83 113.70 117.23 1rul s SER 208 Ca -0.13 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 55.75 1rul s SER 208 Cb -0.15 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.37 1rul s SER 208 CO 0.04 -0.71 0.47 0.72 0.41 0.00 0.00 173.24 174.18 1rul s PHE 209 N -3.98 -0.08 -0.13 2.43 -0.71 -0.73 -5.01 117.98 109.78 1rul s PHE 209 Ca 0.25 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.85 1rul s PHE 209 Cb 0.07 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 1rul s PHE 209 CO 0.03 -0.85 -0.02 -0.80 -1.34 0.00 0.00 175.22 172.24 1rul s ASN 210 N -2.87 5.00 0.45 1.98 0.01 -1.26 -1.62 114.94 116.63 1rul s ASN 210 Ca 0.09 -0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 51.99 1rul s ASN 210 Cb 0.00 -1.63 -0.09 0.00 0.41 0.00 0.00 41.25 39.94 1rul s ASN 210 CO -0.04 0.26 1.19 -1.14 -1.51 0.00 0.00 177.10 175.85 1rul n ARG 211 N 2.94 1.67 -1.00 -0.60 0.63 0.19 -2.36 116.66 118.13 1rul n ARG 211 Ca -0.18 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1rul n ARG 211 Cb 0.53 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.14 1rul n ARG 211 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1rul n ASN 212 N 0.08 -3.94 -4.26 6.15 2.85 -1.26 -4.98 115.26 109.90 1rul n ASN 212 Ca 0.08 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.25 1rul n ASN 212 Cb 0.41 -1.44 -0.16 0.00 1.24 0.00 0.00 39.78 39.82 1rul n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1rul s GLU 213 N -0.63 2.23 0.00 1.20 2.12 -1.00 -5.29 118.70 117.34 1rul s GLU 213 Ca 0.00 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1rul s GLU 213 Cb 0.00 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.39 1rul s GLU 213 CO 0.00 0.44 0.32 0.00 -0.54 0.00 0.00 175.26 175.48