#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrs n GLY 2 N 0.00 1.49 2.77 -5.12 0.00 -1.26 -5.10 105.19 97.96 2jrs n GLY 2 Ca 0.00 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 2jrs n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jrs s HIS 3 N 1.70 2.08 -0.06 1.61 -0.00 -1.26 -5.10 115.29 114.26 2jrs s HIS 3 Ca 0.00 -2.12 0.02 0.00 -0.00 0.00 0.00 55.06 52.96 2jrs s HIS 3 Cb 0.00 -1.94 0.02 0.00 -0.00 0.00 0.00 32.58 30.66 2jrs s HIS 3 CO 0.00 -0.86 -0.09 -1.01 -0.00 0.00 0.00 174.74 172.78 2jrs s HIS 4 N 1.14 1.20 0.31 0.38 0.09 -1.26 -5.14 115.29 112.01 2jrs s HIS 4 Ca 0.12 -0.43 -0.25 0.00 -0.00 0.00 0.00 55.06 54.50 2jrs s HIS 4 Cb -0.20 -0.94 -0.10 0.00 -0.00 0.00 0.00 32.58 31.35 2jrs s HIS 4 CO -0.15 -0.27 0.92 -1.01 -0.00 0.00 0.00 174.74 174.23 2jrs s HIS 5 N 0.85 3.68 -0.16 1.40 4.02 -1.26 -4.97 115.29 118.84 2jrs s HIS 5 Ca -0.12 1.73 0.05 0.00 1.02 0.00 0.00 55.06 57.74 2jrs s HIS 5 Cb -0.15 -2.88 0.10 0.00 -1.02 0.00 0.00 32.58 28.63 2jrs s HIS 5 CO 0.01 0.22 1.07 0.72 1.02 0.00 0.00 174.74 177.78 2jrs n HIS 6 N 0.55 0.10 -2.56 1.40 8.25 -1.26 -5.04 115.22 116.66 2jrs n HIS 6 Ca 0.02 -0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 56.48 2jrs n HIS 6 Cb 0.50 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 2jrs n HIS 6 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrs s HIS 7 N -1.31 3.58 -0.16 4.41 5.04 -1.26 -4.62 115.29 120.96 2jrs s HIS 7 Ca 0.09 1.54 -0.09 0.00 -1.54 0.00 0.00 55.06 55.06 2jrs s HIS 7 Cb 0.07 -3.26 0.04 0.00 0.04 0.00 0.00 32.58 29.47 2jrs s HIS 7 CO 0.03 -0.58 0.19 1.58 -2.34 0.00 0.00 174.74 173.62 2jrs n HIS 8 N 3.44 -3.64 0.01 3.88 -0.00 -1.26 -5.07 115.22 112.58 2jrs n HIS 8 Ca 0.06 2.07 0.00 0.00 -0.00 0.00 0.00 57.72 59.85 2jrs n HIS 8 Cb 0.48 -3.50 0.00 0.00 -0.00 0.00 0.00 29.99 26.97 2jrs n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2jrs n SER 9 N 1.30 0.05 -2.53 0.26 7.64 -1.26 -5.03 113.62 114.05 2jrs n SER 9 Ca -0.31 0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.45 2jrs n SER 9 Cb 0.49 0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2jrs n SER 9 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jrs n HIS 10 N -2.63 -1.38 0.00 1.43 -0.00 -1.26 -4.02 115.22 107.36 2jrs n HIS 10 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2jrs n HIS 10 Cb 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 29.99 26.84 2jrs n HIS 10 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2jrs n MET 11 N -2.99 0.00 -3.55 1.57 0.00 -1.26 -4.29 117.12 106.60 2jrs n MET 11 Ca -0.16 0.00 -0.26 0.00 -0.00 0.00 0.00 57.70 57.28 2jrs n MET 11 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.69 2jrs n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jrs s ALA 12 N -0.25 0.37 0.88 -5.12 0.00 -1.26 -5.15 121.76 111.23 2jrs s ALA 12 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2jrs s ALA 12 Cb 0.00 -1.29 0.16 0.00 0.00 0.00 0.00 23.12 21.98 2jrs s ALA 12 CO 0.00 -1.44 1.22 0.00 0.00 0.00 0.00 175.76 175.54 2jrs s ALA 13 N 2.16 2.59 0.00 0.00 0.00 -1.26 -4.21 121.76 121.04 2jrs s ALA 13 Ca 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2jrs s ALA 13 Cb -0.16 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2jrs s ALA 13 CO -0.24 -2.07 0.00 0.00 0.00 0.00 0.00 175.76 173.45 2jrs n ALA 14 N -3.48 0.00 -2.67 0.00 0.00 -1.26 -4.97 120.51 108.12 2jrs n ALA 14 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 2jrs n ALA 14 Cb 0.60 -0.71 -0.11 0.00 0.00 0.00 0.00 19.45 19.22 2jrs n ALA 14 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jrs s MET 15 N -0.85 3.73 0.00 0.00 -1.94 -1.26 -4.48 119.30 114.49 2jrs s MET 15 Ca 0.00 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 2jrs s MET 15 Cb 0.00 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.20 2jrs s MET 15 CO 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 175.02 174.74 2jrs n ALA 16 N 5.04 0.00 1.75 3.03 0.00 -1.26 -5.01 120.51 124.06 2jrs n ALA 16 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.41 2jrs n ALA 16 Cb 0.51 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.58 2jrs n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jrs n ASN 17 N -0.83 0.00 -3.45 0.00 0.23 -1.26 -4.83 115.26 105.13 2jrs n ASN 17 Ca 0.00 -1.09 -0.21 0.00 -0.53 0.00 0.00 54.58 52.74 2jrs n ASN 17 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2jrs n ASN 17 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2jrs n ASN 18 N -0.87 -0.29 -2.25 0.53 0.23 -1.26 -5.05 115.26 106.30 2jrs n ASN 18 Ca 0.16 -3.25 -0.25 0.00 -0.53 0.00 0.00 54.58 50.70 2jrs n ASN 18 Cb 0.07 1.58 0.02 0.00 -2.08 0.00 0.00 39.78 39.37 2jrs n ASN 18 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2jrs n LEU 19 N 0.00 6.82 0.00 -4.53 4.77 -1.26 -4.78 117.00 118.02 2jrs n LEU 19 Ca 0.05 -3.86 0.00 0.00 -0.03 0.00 0.00 56.01 52.17 2jrs n LEU 19 Cb 0.62 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2jrs n LEU 19 CO 0.32 1.47 0.00 1.67 -1.33 0.00 0.00 177.39 179.52 2jrs n GLN 20 N 0.17 0.00 0.00 3.23 -0.06 -1.26 -4.72 117.38 114.74 2jrs n GLN 20 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 2jrs n GLN 20 Cb 0.55 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.55 2jrs n GLN 20 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2jrs n LYS 21 N -1.12 0.00 -3.64 3.69 4.81 -1.26 -4.63 118.16 116.01 2jrs n LYS 21 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2jrs n LYS 21 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2jrs n LYS 21 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2jrs s GLY 22 N 0.00 -0.14 -0.07 3.14 0.00 -1.26 -5.04 107.32 103.95 2jrs s GLY 22 Ca 0.00 2.75 0.20 0.00 0.00 0.00 0.00 44.72 47.67 2jrs s GLY 22 CO 0.00 1.98 1.60 -1.14 0.00 0.00 0.00 173.10 175.54 2jrs n SER 23 N 2.53 4.49 -0.40 1.64 3.41 -1.26 -5.07 113.62 118.95 2jrs n SER 23 Ca -0.14 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 2jrs n SER 23 Cb 0.56 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2jrs n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jrs n ALA 24 N 1.35 0.00 0.20 7.33 0.00 -1.26 -5.03 120.51 123.11 2jrs n ALA 24 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2jrs n ALA 24 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 2jrs n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jrs n GLY 25 N 0.00 -1.74 3.70 0.00 0.00 -1.26 -5.15 105.19 100.74 2jrs n GLY 25 Ca 0.00 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 2jrs n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jrs s PRO 26 N -2.00 1.63 0.07 1.61 0.02 -1.25 -3.68 135.00 131.40 2jrs s PRO 26 Ca 0.00 1.77 0.07 0.00 0.02 0.00 0.00 61.00 62.86 2jrs s PRO 26 Cb 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 2jrs s PRO 26 CO 0.00 -2.23 -0.19 1.41 -0.33 0.00 0.00 177.00 175.66 2jrs s MET 27 N -4.12 1.16 -0.16 5.54 1.75 -0.01 -4.83 119.30 118.63 2jrs s MET 27 Ca 0.73 -1.00 0.01 0.00 -1.25 0.00 0.00 55.69 54.19 2jrs s MET 27 Cb -0.29 -1.31 0.02 0.00 2.84 0.00 0.00 34.83 36.09 2jrs s MET 27 CO 0.50 0.32 -0.19 0.50 -0.65 0.00 0.00 175.02 175.50 2jrs s ARG 28 N -1.51 2.87 -0.03 4.11 3.52 -1.26 -0.01 118.95 126.65 2jrs s ARG 28 Ca 0.05 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2jrs s ARG 28 Cb -0.09 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 2jrs s ARG 28 CO 0.03 -0.17 0.04 -0.51 -0.81 0.00 0.00 175.30 173.88 2jrs s LEU 29 N 1.21 3.71 -0.33 -0.88 1.43 0.28 -4.24 118.68 119.86 2jrs s LEU 29 Ca 0.02 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 2jrs s LEU 29 Cb -0.14 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 2jrs s LEU 29 CO -0.10 0.31 0.59 -0.47 0.23 0.00 0.00 176.35 176.90 2jrs s TYR 30 N -1.08 3.19 -0.28 0.29 5.04 0.49 -0.37 117.35 124.64 2jrs s TYR 30 Ca 0.19 0.40 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 2jrs s TYR 30 Cb -0.12 -2.99 0.06 0.00 0.35 0.00 0.00 41.96 39.26 2jrs s TYR 30 CO 0.09 -0.52 -0.07 0.08 -1.34 0.00 0.00 175.55 173.79 2jrs s VAL 31 N 2.55 2.37 -0.39 3.14 1.01 0.38 -0.73 120.40 128.74 2jrs s VAL 31 Ca 0.23 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 2jrs s VAL 31 Cb -0.15 -2.42 0.08 0.00 0.00 0.00 0.00 36.38 33.89 2jrs s VAL 31 CO 0.13 -0.10 0.18 -0.83 0.00 0.00 0.00 175.10 174.48 2jrs s GLY 32 N 1.13 1.92 0.00 4.51 0.00 0.29 -0.93 107.32 114.24 2jrs s GLY 32 Ca -0.07 -2.16 0.00 0.00 0.00 0.00 0.00 44.72 42.49 2jrs s GLY 32 CO -0.04 0.92 0.10 -1.26 0.00 0.00 0.00 173.10 172.81 2jrs n SER 33 N 4.75 0.00 -4.50 1.64 2.88 -0.92 -1.68 113.62 115.80 2jrs n SER 33 Ca -0.08 -0.42 -0.43 0.00 -1.33 0.00 0.00 58.87 56.61 2jrs n SER 33 Cb 0.43 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 2jrs n SER 33 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jrs s LEU 34 N 0.00 4.55 -1.41 2.46 1.43 0.08 -4.88 118.68 120.91 2jrs s LEU 34 Ca 0.00 -2.28 -0.13 0.00 -1.03 0.00 0.00 54.13 50.69 2jrs s LEU 34 Cb 0.00 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2jrs s LEU 34 CO 0.00 -1.07 2.41 0.00 0.23 0.00 0.00 176.35 177.92 2jrs n HIS 35 N 7.04 2.94 -0.96 0.29 1.44 -1.26 -4.25 115.22 120.46 2jrs n HIS 35 Ca 0.34 -2.85 0.00 0.00 -2.01 0.00 0.00 57.72 53.20 2jrs n HIS 35 Cb 0.47 -2.41 0.00 0.00 0.12 0.00 0.00 29.99 28.17 2jrs n HIS 35 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2jrs n PHE 36 N 5.40 0.00 0.00 -1.40 7.35 -1.26 -4.56 117.46 122.99 2jrs n PHE 36 Ca 0.59 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 2jrs n PHE 36 Cb 0.33 -1.94 0.00 0.00 0.35 0.00 0.00 39.48 38.22 2jrs n PHE 36 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2jrs n ASN 37 N -0.92 2.13 -4.59 -2.13 4.05 -1.26 -5.03 115.26 107.52 2jrs n ASN 37 Ca 0.00 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.61 2jrs n ASN 37 Cb 0.46 0.12 -0.03 0.00 1.23 0.00 0.00 39.78 41.56 2jrs n ASN 37 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2jrs s ILE 38 N -1.47 3.71 0.60 -1.44 -1.09 -1.26 -4.99 121.20 115.25 2jrs s ILE 38 Ca 0.00 0.66 0.09 0.00 -2.23 0.00 0.00 60.65 59.18 2jrs s ILE 38 Cb 0.00 -4.12 0.10 0.00 -1.58 0.00 0.00 42.46 36.86 2jrs s ILE 38 CO 0.00 -0.82 0.82 0.42 -1.23 0.00 0.00 174.94 174.13 2jrs s THR 39 N 6.37 2.08 0.19 2.92 -4.23 -1.26 -4.85 115.64 116.86 2jrs s THR 39 Ca 0.63 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 2jrs s THR 39 Cb -0.15 -2.10 0.12 0.00 1.34 0.00 0.00 72.50 71.72 2jrs s THR 39 CO 0.29 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 175.89 2jrs h GLU 40 N 0.10 0.90 -0.67 3.99 3.07 -1.94 -0.90 114.58 119.13 2jrs h GLU 40 Ca -0.29 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.48 2jrs h GLU 40 Cb 1.29 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 2jrs h GLU 40 CO 0.40 0.62 0.36 0.22 -1.40 0.00 0.00 179.01 179.22 2jrs h ASP 41 N 0.91 0.82 0.32 1.42 3.58 -1.98 0.22 116.42 121.71 2jrs h ASP 41 Ca 0.24 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2jrs h ASP 41 Cb -0.06 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.78 2jrs h ASP 41 CO -0.05 0.67 -0.15 -0.03 -2.88 0.00 0.00 179.24 176.79 2jrs h MET 42 N 0.93 -0.41 -0.69 0.28 4.05 -1.81 -1.66 114.93 115.62 2jrs h MET 42 Ca 0.24 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.77 2jrs h MET 42 Cb 0.03 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.85 2jrs h MET 42 CO -0.04 -0.09 0.35 -0.07 0.23 0.00 0.00 176.91 177.30 2jrs h LEU 43 N -0.80 0.47 -0.32 3.39 3.38 -1.06 -2.34 115.31 118.02 2jrs h LEU 43 Ca -0.04 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jrs h LEU 43 Cb 0.52 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2jrs h LEU 43 CO 0.07 0.28 0.16 -0.09 0.09 0.00 0.00 178.44 178.96 2jrs h ARG 44 N 0.61 0.33 -0.46 1.13 2.43 -0.55 0.91 114.38 118.78 2jrs h ARG 44 Ca 0.33 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.58 2jrs h ARG 44 Cb 0.32 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2jrs h ARG 44 CO -0.25 0.22 0.32 0.78 -1.51 0.00 0.00 179.97 179.53 2jrs h GLY 45 N 0.34 0.25 0.00 2.80 0.00 -0.78 0.96 103.07 106.64 2jrs h GLY 45 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2jrs h GLY 45 CO -0.08 0.04 -0.03 -2.22 0.00 0.00 0.00 176.54 174.26 2jrs h ILE 46 N 0.18 0.98 0.10 2.60 2.04 -0.94 -3.41 117.51 119.05 2jrs h ILE 46 Ca 0.21 -1.74 -0.26 0.00 1.00 0.00 0.00 64.86 64.07 2jrs h ILE 46 Cb 0.61 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2jrs h ILE 46 CO -0.03 0.33 -1.17 -0.26 0.00 0.00 0.00 178.15 177.01 2jrs h PHE 47 N -1.00 0.39 -0.83 1.37 -1.00 -0.73 -3.37 116.94 111.77 2jrs h PHE 47 Ca -0.01 -0.28 -0.00 0.00 2.81 0.00 0.00 57.97 60.49 2jrs h PHE 47 Cb 0.56 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 2jrs h PHE 47 CO 0.15 1.21 0.50 1.49 -1.61 0.00 0.00 178.31 180.05 2jrs h GLU 48 N 0.06 1.13 -0.89 1.51 4.81 -1.01 -1.07 114.58 119.12 2jrs h GLU 48 Ca -0.10 -0.10 0.26 0.00 -0.13 0.00 0.00 59.36 59.29 2jrs h GLU 48 Cb 1.91 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 31.01 2jrs h GLU 48 CO 0.19 0.79 0.88 -1.35 -0.73 0.00 0.00 179.01 178.79 2jrs h PRO 49 N 1.15 0.00 0.42 0.92 0.11 -1.77 -0.73 132.00 132.09 2jrs h PRO 49 Ca 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 2jrs h PRO 49 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2jrs h PRO 49 CO -0.06 0.00 -0.20 0.74 -0.21 0.00 0.00 178.00 178.27 2jrs h PHE 50 N 0.00 -0.52 0.00 0.65 -1.00 -1.44 -3.45 116.94 111.18 2jrs h PHE 50 Ca 0.42 -0.01 -0.12 0.00 2.81 0.00 0.00 57.97 61.07 2jrs h PHE 50 Cb 2.18 0.17 -0.11 0.00 3.61 0.00 0.00 35.95 41.81 2jrs h PHE 50 CO 0.00 -0.32 -0.19 0.41 -1.61 0.00 0.00 178.31 176.59 2jrs n GLY 51 N -0.29 1.19 0.95 -1.45 0.00 -0.92 -5.06 105.19 99.63 2jrs n GLY 51 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jrs n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jrs n ARG 52 N -1.12 -2.44 -2.92 1.61 3.00 -0.33 -4.77 116.66 109.70 2jrs n ARG 52 Ca -0.13 1.83 -0.39 0.00 -0.00 0.00 0.00 57.85 59.16 2jrs n ARG 52 Cb 0.77 -1.91 -0.06 0.00 0.00 0.00 0.00 32.46 31.26 2jrs n ARG 52 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jrs s ILE 53 N -1.11 4.31 -0.17 5.15 1.09 -1.26 -4.22 121.20 124.99 2jrs s ILE 53 Ca 0.00 1.74 -0.14 0.00 -1.10 0.00 0.00 60.65 61.15 2jrs s ILE 53 Cb 0.00 -4.12 -0.09 0.00 -1.06 0.00 0.00 42.46 37.19 2jrs s ILE 53 CO 0.00 0.42 -0.04 1.21 -0.10 0.00 0.00 174.94 176.43 2jrs n GLU 54 N 1.29 0.50 -3.74 2.79 0.00 0.02 -4.86 120.64 116.63 2jrs n GLU 54 Ca -0.03 0.54 -0.13 0.00 0.00 0.00 0.00 57.16 57.53 2jrs n GLU 54 Cb 0.49 -1.71 -0.10 0.00 0.00 0.00 0.00 31.44 30.12 2jrs n GLU 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2jrs s SER 55 N -6.17 -0.33 -0.25 4.31 0.01 -0.69 -5.02 113.70 105.56 2jrs s SER 55 Ca -0.20 0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.60 2jrs s SER 55 Cb 0.04 0.60 0.06 0.00 0.21 0.00 0.00 66.02 66.93 2jrs s SER 55 CO 0.36 -0.27 -0.09 -0.63 0.41 0.00 0.00 173.24 173.03 2jrs s ILE 56 N -0.41 1.91 -0.32 1.44 1.01 -1.26 -0.06 121.20 123.51 2jrs s ILE 56 Ca -0.05 -1.48 -0.07 0.00 0.00 0.00 0.00 60.65 59.05 2jrs s ILE 56 Cb -0.03 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.37 2jrs s ILE 56 CO 0.02 -0.07 0.10 -1.10 0.00 0.00 0.00 174.94 173.89 2jrs s GLN 57 N 1.22 2.85 -0.06 2.79 -1.52 0.08 -4.96 119.66 120.05 2jrs s GLN 57 Ca -0.08 -1.03 -0.07 0.00 -1.95 0.00 0.00 55.36 52.24 2jrs s GLN 57 Cb -0.20 -3.43 -0.04 0.00 -0.22 0.00 0.00 33.01 29.13 2jrs s GLN 57 CO -0.06 -0.56 0.20 -0.51 -0.25 0.00 0.00 175.29 174.12 2jrs s LEU 58 N 1.45 4.39 -0.55 2.90 1.43 -1.26 0.31 118.68 127.36 2jrs s LEU 58 Ca 0.00 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 2jrs s LEU 58 Cb -0.18 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 43.77 2jrs s LEU 58 CO 0.03 0.34 0.69 -0.04 0.23 0.00 0.00 176.35 177.60 2jrs s MET 59 N -1.33 3.11 0.14 1.70 -1.94 -0.74 -4.98 119.30 115.26 2jrs s MET 59 Ca 0.21 -1.00 0.09 0.00 -1.71 0.00 0.00 55.69 53.27 2jrs s MET 59 Cb -0.13 -4.16 -0.04 0.00 2.01 0.00 0.00 34.83 32.51 2jrs s MET 59 CO 0.10 -1.37 -0.20 -1.64 -0.01 0.00 0.00 175.02 171.89 2jrs s MET 60 N 2.80 1.23 -0.35 2.03 -1.94 -1.26 -2.00 119.30 119.81 2jrs s MET 60 Ca 0.15 -1.31 -0.14 0.00 -1.71 0.00 0.00 55.69 52.67 2jrs s MET 60 Cb -0.20 -1.41 -0.01 0.00 2.01 0.00 0.00 34.83 35.22 2jrs s MET 60 CO 0.10 0.31 0.30 0.34 -0.01 0.00 0.00 175.02 176.06 2jrs s ASP 61 N -2.34 6.11 0.48 3.03 -1.08 0.02 -4.89 116.67 118.00 2jrs s ASP 61 Ca 0.12 -0.42 0.28 0.00 -0.52 0.00 0.00 52.55 52.01 2jrs s ASP 61 Cb -0.08 -2.17 0.86 0.00 -1.46 0.00 0.00 42.92 40.08 2jrs s ASP 61 CO 0.06 -0.31 1.80 0.77 0.52 0.00 0.00 175.17 178.00 2jrs h SER 62 N 8.51 0.00 0.08 -0.34 4.64 -1.96 0.72 113.55 125.19 2jrs h SER 62 Ca -0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2jrs h SER 62 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2jrs h SER 62 CO 0.67 0.00 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.27 2jrs h GLU 63 N 0.00 -0.10 0.00 4.77 4.39 -1.98 -3.46 114.58 118.19 2jrs h GLU 63 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jrs h GLU 63 Cb 0.74 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2jrs h GLU 63 CO 0.00 -0.07 0.00 -2.37 -1.16 0.00 0.00 179.01 175.41 2jrs n THR 64 N -2.54 0.00 0.01 1.13 5.66 -1.25 -4.94 114.28 112.34 2jrs n THR 64 Ca -0.01 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.95 2jrs n THR 64 Cb 0.04 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.71 2jrs n THR 64 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jrs h GLY 65 N 0.00 0.00 0.00 1.09 0.00 -1.89 -3.50 103.07 98.77 2jrs h GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jrs h GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2jrs n ARG 66 N -2.97 0.00 -1.58 4.80 1.74 0.24 -4.62 116.66 114.27 2jrs n ARG 66 Ca -0.13 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.49 2jrs n ARG 66 Cb 0.93 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.33 2jrs n ARG 66 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jrs n SER 67 N -2.77 3.03 0.19 0.55 7.64 -1.26 -0.80 113.62 120.19 2jrs n SER 67 Ca 0.00 0.50 0.05 0.00 1.01 0.00 0.00 58.87 60.43 2jrs n SER 67 Cb 0.00 -1.42 0.38 0.00 -1.01 0.00 0.00 64.21 62.16 2jrs n SER 67 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2jrs h LYS 68 N 12.57 0.00 0.00 1.43 1.57 -1.66 -3.47 116.57 127.02 2jrs h LYS 68 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2jrs h LYS 68 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2jrs h LYS 68 CO 0.97 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 180.62 2jrs n GLY 69 N -0.03 1.11 3.09 3.86 0.00 -1.26 -5.03 105.19 106.92 2jrs n GLY 69 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2jrs n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jrs s TYR 70 N -2.00 0.75 0.09 1.61 -0.85 -1.26 -0.74 117.35 114.95 2jrs s TYR 70 Ca 0.00 -0.57 -0.13 0.00 -0.52 0.00 0.00 57.07 55.85 2jrs s TYR 70 Cb 0.00 -0.44 0.02 0.00 0.38 0.00 0.00 41.96 41.92 2jrs s TYR 70 CO 0.00 -0.08 0.31 0.20 -1.52 0.00 0.00 175.55 174.46 2jrs s GLY 71 N -1.84 -0.12 -0.27 5.49 0.00 -0.11 -1.80 107.32 108.67 2jrs s GLY 71 Ca -0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.35 2jrs s GLY 71 CO -0.00 -0.44 0.16 -1.36 0.00 0.00 0.00 173.10 171.46 2jrs s PHE 72 N -3.52 3.19 -0.30 1.90 0.08 0.15 -0.47 117.98 119.02 2jrs s PHE 72 Ca 0.02 -0.00 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 2jrs s PHE 72 Cb 0.02 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.12 2jrs s PHE 72 CO -0.10 -0.19 0.14 0.42 -0.10 0.00 0.00 175.22 175.40 2jrs s ILE 73 N 1.66 4.67 -0.23 0.64 1.01 0.51 -0.74 121.20 128.72 2jrs s ILE 73 Ca 0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 2jrs s ILE 73 Cb -0.16 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2jrs s ILE 73 CO 0.09 0.14 0.16 -0.89 0.00 0.00 0.00 174.94 174.44 2jrs s THR 74 N 1.64 5.36 0.08 2.92 2.01 0.91 -0.56 115.64 128.00 2jrs s THR 74 Ca 0.05 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.27 2jrs s THR 74 Cb -0.17 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2jrs s THR 74 CO 0.07 0.36 0.14 -0.36 -0.69 0.00 0.00 174.62 174.13 2jrs s PHE 75 N 0.97 3.32 -0.82 4.92 0.40 0.99 -0.80 117.98 126.95 2jrs s PHE 75 Ca 0.08 0.14 0.21 0.00 -0.60 0.00 0.00 56.93 56.76 2jrs s PHE 75 Cb -0.13 -1.67 0.85 0.00 0.51 0.00 0.00 43.02 42.59 2jrs s PHE 75 CO 0.04 0.55 1.65 0.45 0.70 0.00 0.00 175.22 178.61 2jrs n SER 76 N 0.32 0.28 -4.21 1.36 2.88 -1.26 -0.83 113.62 112.16 2jrs n SER 76 Ca -0.07 0.56 -0.24 0.00 -1.33 0.00 0.00 58.87 57.78 2jrs n SER 76 Cb 0.52 -0.62 -0.14 0.00 -0.75 0.00 0.00 64.21 63.21 2jrs n SER 76 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jrs s ASP 77 N -3.53 2.21 -0.02 -3.46 2.15 -1.26 -3.76 116.67 109.00 2jrs s ASP 77 Ca 0.08 -0.48 -0.20 0.00 0.43 0.00 0.00 52.55 52.38 2jrs s ASP 77 Cb 0.11 -0.18 -0.30 0.00 -0.30 0.00 0.00 42.92 42.25 2jrs s ASP 77 CO 0.39 0.14 0.97 0.28 -0.17 0.00 0.00 175.17 176.78 2jrs h SER 78 N 5.01 0.56 0.05 -0.34 0.02 -1.85 -3.22 113.55 113.77 2jrs h SER 78 Ca -0.41 -0.89 -0.13 0.00 -0.84 0.00 0.00 61.79 59.52 2jrs h SER 78 Cb 1.16 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2jrs h SER 78 CO 0.44 1.40 -0.43 -0.08 -1.14 0.00 0.00 176.83 177.02 2jrs h GLU 79 N -0.20 0.47 -0.67 3.45 4.81 -1.97 -1.15 114.58 119.31 2jrs h GLU 79 Ca -0.14 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2jrs h GLU 79 Cb 1.63 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.99 2jrs h GLU 79 CO 0.16 0.81 0.44 0.00 -0.73 0.00 0.00 179.01 179.70 2jrs h ALA 81 N 1.24 0.87 -0.47 0.00 0.00 -1.50 -1.18 119.26 118.23 2jrs h ALA 81 Ca 0.24 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2jrs h ALA 81 Cb -0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 2jrs h ALA 81 CO -0.05 0.57 0.20 -0.22 0.00 0.00 0.00 179.25 179.75 2jrs h LYS 82 N 0.97 0.40 0.37 0.00 3.64 -0.77 -0.79 116.57 120.40 2jrs h LYS 82 Ca 0.21 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2jrs h LYS 82 Cb 0.34 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jrs h LYS 82 CO -0.00 0.26 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.04 2jrs h LYS 83 N 0.41 -0.48 -0.15 1.90 3.64 -0.88 -2.43 116.57 118.58 2jrs h LYS 83 Ca 0.21 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2jrs h LYS 83 Cb 0.16 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2jrs h LYS 83 CO -0.18 -0.26 -0.17 0.00 -2.27 0.00 0.00 179.45 176.57 2jrs h ALA 84 N -0.00 -0.08 0.02 5.00 0.00 -1.06 -1.97 119.26 121.17 2jrs h ALA 84 Ca -0.05 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jrs h ALA 84 Cb 0.44 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2jrs h ALA 84 CO 0.08 -0.62 -0.28 1.25 0.00 0.00 0.00 179.25 179.69 2jrs h LEU 85 N -0.20 -0.83 -1.91 0.00 6.46 -1.18 -1.20 115.31 116.46 2jrs h LEU 85 Ca 0.10 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2jrs h LEU 85 Cb 0.36 0.33 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2jrs h LEU 85 CO -0.27 -0.35 -0.12 -0.08 -0.62 0.00 0.00 178.44 176.99 2jrs h GLU 86 N -0.44 0.00 0.00 1.25 4.81 -1.16 0.16 114.58 119.20 2jrs h GLU 86 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2jrs h GLU 86 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jrs h GLU 86 CO -0.23 0.12 -1.40 1.04 -0.73 0.00 0.00 179.01 177.81 2jrs n GLN 87 N -3.69 0.50 -0.02 1.92 1.13 -0.76 -4.49 117.38 111.97 2jrs n GLN 87 Ca -0.02 -0.05 0.01 0.00 -1.94 0.00 0.00 57.00 55.00 2jrs n GLN 87 Cb 0.23 -1.62 -0.06 0.00 0.11 0.00 0.00 30.24 28.90 2jrs n GLN 87 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jrs n LEU 88 N -2.23 0.00 -4.56 1.08 4.77 -0.48 -4.88 117.00 110.70 2jrs n LEU 88 Ca -0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 2jrs n LEU 88 Cb 0.51 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2jrs n LEU 88 CO 0.43 0.09 2.00 0.21 -1.33 0.00 0.00 177.39 178.79 2jrs s ASN 89 N -3.43 4.56 0.00 -1.43 2.47 0.54 -0.67 114.94 116.98 2jrs s ASN 89 Ca -0.03 1.20 0.00 0.00 0.42 0.00 0.00 52.86 54.45 2jrs s ASN 89 Cb 0.04 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 2jrs s ASN 89 CO 0.34 -2.77 0.00 0.61 -3.72 0.00 0.00 177.10 171.56 2jrs n GLY 90 N 5.98 1.89 3.72 1.21 0.00 0.35 -4.94 105.19 113.40 2jrs n GLY 90 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2jrs n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jrs s PHE 91 N -1.94 3.03 -0.73 1.61 5.36 0.16 -4.29 117.98 121.18 2jrs s PHE 91 Ca 0.00 0.56 -0.26 0.00 -0.96 0.00 0.00 56.93 56.28 2jrs s PHE 91 Cb 0.00 -3.97 -0.07 0.00 -0.34 0.00 0.00 43.02 38.64 2jrs s PHE 91 CO 0.00 -3.62 2.11 -1.21 -1.46 0.00 0.00 175.22 171.04 2jrs s GLU 92 N 1.16 2.27 -0.35 10.12 8.01 -1.26 0.87 118.70 139.51 2jrs s GLU 92 Ca 0.71 0.42 -0.24 0.00 0.01 0.00 0.00 54.97 55.87 2jrs s GLU 92 Cb -0.45 -4.74 0.01 0.00 -4.31 0.00 0.00 34.13 24.63 2jrs s GLU 92 CO 0.31 -3.45 0.80 -1.17 0.01 0.00 0.00 175.26 171.76 2jrs s LEU 93 N 11.31 4.10 -1.69 1.80 2.96 0.16 -4.12 118.68 133.19 2jrs s LEU 93 Ca 0.79 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 2jrs s LEU 93 Cb -0.11 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.51 2jrs s LEU 93 CO 0.11 -0.71 0.00 0.00 -1.32 0.00 0.00 176.35 174.43 2jrs n ALA 94 N 6.40 -0.36 0.00 5.97 0.00 -1.26 -1.13 120.51 130.12 2jrs n ALA 94 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2jrs n ALA 94 Cb 0.48 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2jrs n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jrs n GLY 95 N -0.45 0.70 3.02 0.00 0.00 -1.26 -5.06 105.19 102.13 2jrs n GLY 95 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2jrs n GLY 95 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jrs s ARG 96 N -0.54 1.16 0.56 1.61 3.52 -0.29 -5.04 118.95 119.95 2jrs s ARG 96 Ca 0.00 -0.36 -0.19 0.00 -0.13 0.00 0.00 55.73 55.06 2jrs s ARG 96 Cb 0.00 -1.06 -0.08 0.00 -1.56 0.00 0.00 34.95 32.26 2jrs s ARG 96 CO 0.00 0.12 0.66 -0.35 -0.81 0.00 0.00 175.30 174.92 2jrs n PRO 97 N 3.35 0.65 -3.25 5.12 -0.04 -1.26 0.36 135.00 139.92 2jrs n PRO 97 Ca -0.19 0.25 -0.44 0.00 -0.04 0.00 0.00 63.50 63.08 2jrs n PRO 97 Cb 0.54 -1.83 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 2jrs n PRO 97 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2jrs s MET 98 N -2.23 3.05 -0.95 0.54 1.75 0.25 -4.53 119.30 117.19 2jrs s MET 98 Ca 0.70 -1.14 -0.19 0.00 -1.25 0.00 0.00 55.69 53.81 2jrs s MET 98 Cb -0.45 -4.13 0.12 0.00 2.84 0.00 0.00 34.83 33.20 2jrs s MET 98 CO 0.53 -1.17 1.19 0.15 -0.65 0.00 0.00 175.02 175.06 2jrs s LYS 99 N 2.19 3.60 -0.28 4.11 -0.14 -0.68 -0.50 119.74 128.05 2jrs s LYS 99 Ca 0.10 -1.66 -0.08 0.00 -1.36 0.00 0.00 55.97 52.97 2jrs s LYS 99 Cb -0.22 -5.00 -0.02 0.00 -1.68 0.00 0.00 37.83 30.91 2jrs s LYS 99 CO 0.09 -1.85 0.11 0.08 -0.76 0.00 0.00 175.35 173.02 2jrs s VAL 100 N 3.08 4.46 0.12 3.17 1.01 -1.25 -0.55 120.40 130.45 2jrs s VAL 100 Ca 0.35 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 2jrs s VAL 100 Cb -0.04 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2jrs s VAL 100 CO -0.09 0.20 0.26 -0.83 0.00 0.00 0.00 175.10 174.63 2jrs s GLY 101 N 1.61 0.20 0.83 4.51 0.00 0.09 -4.79 107.32 109.78 2jrs s GLY 101 Ca 0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 44.01 2jrs s GLY 101 CO 0.05 -0.75 1.14 0.30 0.00 0.00 0.00 173.10 173.84 2jrs s HIS 102 N -3.90 2.04 -1.80 1.90 3.76 -1.26 -0.38 115.29 115.65 2jrs s HIS 102 Ca 0.10 1.68 0.12 0.00 -0.15 0.00 0.00 55.06 56.81 2jrs s HIS 102 Cb 0.04 -3.26 0.38 0.00 1.11 0.00 0.00 32.58 30.85 2jrs s HIS 102 CO -0.07 -2.40 1.29 0.28 -0.85 0.00 0.00 174.74 172.99 2jrs n VAL 103 N -3.70 0.69 0.00 -0.90 0.31 -1.26 -4.69 118.33 108.79 2jrs n VAL 103 Ca 0.11 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2jrs n VAL 103 Cb 0.52 0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 2jrs n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2jrs n THR 104 N 0.67 0.00 -1.66 2.52 -1.04 -1.26 -4.82 114.28 108.69 2jrs n THR 104 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2jrs n THR 104 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 2jrs n THR 104 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jrs n GLU 105 N -1.91 -4.74 -1.32 -2.82 4.71 -1.26 -4.59 120.64 108.71 2jrs n GLU 105 Ca 0.00 3.49 -0.38 0.00 -0.01 0.00 0.00 57.16 60.26 2jrs n GLU 105 Cb 0.00 -3.90 -0.02 0.00 -1.01 0.00 0.00 31.44 26.51 2jrs n GLU 105 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2jrs n ARG 106 N -0.45 2.61 -3.66 3.49 1.74 -1.26 -4.76 116.66 114.37 2jrs n ARG 106 Ca 0.00 -2.13 -0.10 0.00 -0.77 0.00 0.00 57.85 54.85 2jrs n ARG 106 Cb 0.00 -2.94 -0.08 0.00 -1.02 0.00 0.00 32.46 28.42 2jrs n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jrs s THR 107 N 3.41 -0.01 -2.00 0.55 2.01 -1.26 -5.29 115.64 113.05 2jrs s THR 107 Ca 0.54 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.65 2jrs s THR 107 Cb 0.14 -0.87 0.27 0.00 0.01 0.00 0.00 72.50 72.06 2jrs s THR 107 CO -0.03 0.01 1.02 0.47 -0.69 0.00 0.00 174.62 175.40