#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja1 s SER 0 N 0.00 -1.22 0.20 1.61 0.15 -1.26 -5.09 113.70 108.09 2ja1 s SER 0 Ca 0.00 0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.77 2ja1 s SER 0 Cb 0.00 1.90 0.22 0.00 -1.71 0.00 0.00 66.02 66.43 2ja1 s SER 0 CO 0.00 -0.30 1.28 0.23 1.20 0.00 0.00 173.24 175.65 2ja1 n MET 1 N 5.41 -0.18 -4.35 5.44 0.00 -1.26 -4.65 117.12 117.53 2ja1 n MET 1 Ca 0.03 1.27 -0.27 0.00 0.00 0.00 0.00 57.70 58.73 2ja1 n MET 1 Cb 0.53 -1.89 -0.11 0.00 0.00 0.00 0.00 33.22 31.75 2ja1 n MET 1 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2ja1 s TYR 2 N -5.81 2.48 -0.67 2.03 1.51 -1.26 -5.10 117.35 110.53 2ja1 s TYR 2 Ca -0.11 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2ja1 s TYR 2 Cb 0.17 -1.24 0.17 0.00 -0.11 0.00 0.00 41.96 40.96 2ja1 s TYR 2 CO 0.60 0.48 0.48 -1.17 -1.11 0.00 0.00 175.55 174.83 2ja1 s LEU 3 N -2.64 5.10 0.08 -1.29 2.96 -1.26 -5.08 118.68 116.54 2ja1 s LEU 3 Ca 0.22 -3.14 -0.31 0.00 -0.22 0.00 0.00 54.13 50.68 2ja1 s LEU 3 Cb -0.09 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 2ja1 s LEU 3 CO 0.12 -0.28 1.30 -0.63 -1.32 0.00 0.00 176.35 175.54 2ja1 s ILE 4 N -0.48 3.65 0.30 6.68 1.01 -1.26 -5.05 121.20 126.06 2ja1 s ILE 4 Ca 0.20 1.18 0.03 0.00 0.00 0.00 0.00 60.65 62.06 2ja1 s ILE 4 Cb -0.17 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 2ja1 s ILE 4 CO -0.06 0.09 0.08 0.20 0.00 0.00 0.00 174.94 175.25 2ja1 s ASN 5 N 1.12 1.91 -0.17 3.58 -0.87 -1.26 -5.15 114.94 114.10 2ja1 s ASN 5 Ca 0.62 -1.39 -0.08 0.00 -1.57 0.00 0.00 52.86 50.43 2ja1 s ASN 5 Cb -0.33 0.04 -0.04 0.00 -0.02 0.00 0.00 41.25 40.90 2ja1 s ASN 5 CO 0.30 -0.67 0.11 -1.10 -2.57 0.00 0.00 177.10 173.16 2ja1 s GLN 6 N -3.94 3.87 0.80 -0.60 -0.21 -1.26 -5.09 119.66 113.23 2ja1 s GLN 6 Ca 0.37 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.40 2ja1 s GLN 6 Cb 0.08 -3.27 0.07 0.00 1.00 0.00 0.00 33.01 30.89 2ja1 s GLN 6 CO 0.15 0.44 1.09 -0.80 -2.12 0.00 0.00 175.29 174.05 2ja1 s ASN 7 N -0.08 4.48 0.00 5.90 0.02 -1.26 -4.92 114.94 119.09 2ja1 s ASN 7 Ca 0.09 1.37 0.00 0.00 -1.02 0.00 0.00 52.86 53.30 2ja1 s ASN 7 Cb -0.12 -2.11 0.00 0.00 0.02 0.00 0.00 41.25 39.04 2ja1 s ASN 7 CO 0.00 -1.98 0.00 0.61 0.02 0.00 0.00 177.10 175.75 2ja1 n GLY 8 N -1.97 0.39 3.81 0.66 0.00 -1.11 -4.48 105.19 102.48 2ja1 n GLY 8 Ca 0.07 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 2ja1 n GLY 8 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ja1 s TRP 9 N 0.00 -0.07 -0.11 1.61 -2.14 -1.09 -4.81 118.94 112.32 2ja1 s TRP 9 Ca 0.00 -0.35 0.03 0.00 2.66 0.00 0.00 56.10 58.44 2ja1 s TRP 9 Cb 0.00 0.70 -0.00 0.00 -3.10 0.00 0.00 33.47 31.07 2ja1 s TRP 9 CO 0.00 -1.06 -0.21 0.42 -2.66 0.00 0.00 176.95 173.44 2ja1 s ILE 10 N -3.11 2.35 -0.17 0.66 1.01 -1.26 -1.19 121.20 119.49 2ja1 s ILE 10 Ca 0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 2ja1 s ILE 10 Cb -0.03 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 2ja1 s ILE 10 CO 0.05 0.55 -0.08 -1.61 0.00 0.00 0.00 174.94 173.85 2ja1 s GLU 11 N 0.37 3.41 -0.15 2.79 2.02 -0.04 -1.79 118.70 125.31 2ja1 s GLU 11 Ca -0.16 -0.64 -0.06 0.00 0.02 0.00 0.00 54.97 54.13 2ja1 s GLU 11 Cb -0.17 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 2ja1 s GLU 11 CO 0.07 0.03 0.06 0.08 0.02 0.00 0.00 175.26 175.53 2ja1 s VAL 12 N 0.85 4.82 -0.24 2.63 1.01 0.12 -0.22 120.40 129.37 2ja1 s VAL 12 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2ja1 s VAL 12 Cb -0.15 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2ja1 s VAL 12 CO 0.01 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 174.93 2ja1 s ILE 13 N -0.11 2.90 0.27 2.22 1.01 0.16 0.03 121.20 127.67 2ja1 s ILE 13 Ca 0.07 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.82 2ja1 s ILE 13 Cb -0.12 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2ja1 s ILE 13 CO 0.01 0.27 0.14 0.00 0.00 0.00 0.00 174.94 175.36 2ja1 n GLY 15 N -0.47 0.29 3.72 0.00 0.00 -1.24 -0.06 105.19 107.44 2ja1 n GLY 15 Ca 0.02 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 2ja1 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ja1 s SER 16 N -1.17 2.92 0.47 1.61 1.04 -1.26 -3.44 113.70 113.87 2ja1 s SER 16 Ca 0.00 1.04 -0.23 0.00 0.48 0.00 0.00 55.95 57.24 2ja1 s SER 16 Cb 0.00 -1.65 -0.08 0.00 0.10 0.00 0.00 66.02 64.39 2ja1 s SER 16 CO 0.00 -2.93 1.13 0.23 0.98 0.00 0.00 173.24 172.66 2ja1 n MET 17 N -4.02 1.51 -0.93 4.02 0.00 -1.26 -2.05 117.12 114.38 2ja1 n MET 17 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 57.70 58.31 2ja1 n MET 17 Cb 0.58 -2.25 0.00 0.00 0.00 0.00 0.00 33.22 31.55 2ja1 n MET 17 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2ja1 n PHE 18 N -0.69 0.00 0.41 2.03 3.01 -1.26 -4.46 117.46 116.49 2ja1 n PHE 18 Ca 0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.69 2ja1 n PHE 18 Cb 0.42 -1.17 0.49 0.00 -0.01 0.00 0.00 39.48 39.20 2ja1 n PHE 18 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2ja1 h SER 19 N 0.00 0.00 0.00 4.37 4.64 -1.74 -3.42 113.55 117.39 2ja1 h SER 19 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ja1 h SER 19 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2ja1 h SER 19 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2ja1 n GLY 20 N 0.37 1.40 0.18 -0.77 0.00 -1.26 -4.41 105.19 100.69 2ja1 n GLY 20 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2ja1 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ja1 h LYS 21 N 0.42 0.14 -0.00 1.61 1.57 -1.91 0.11 116.57 118.51 2ja1 h LYS 21 Ca 0.00 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 2ja1 h LYS 21 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2ja1 h LYS 21 CO 0.00 0.09 -0.90 0.77 -0.57 0.00 0.00 179.45 178.85 2ja1 h SER 22 N 0.14 0.40 -0.66 0.86 0.02 -1.96 0.14 113.55 112.49 2ja1 h SER 22 Ca 0.22 -0.32 0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2ja1 h SER 22 Cb 0.31 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.65 2ja1 h SER 22 CO -0.34 1.11 0.28 -0.08 -1.14 0.00 0.00 176.83 176.66 2ja1 h GLU 23 N 0.18 0.46 0.01 3.45 4.81 -1.80 0.16 114.58 121.85 2ja1 h GLU 23 Ca -0.06 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.89 2ja1 h GLU 23 Cb 1.52 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.82 2ja1 h GLU 23 CO 0.15 0.31 -0.98 1.49 -0.73 0.00 0.00 179.01 179.24 2ja1 h GLU 24 N 0.48 0.65 -0.66 1.92 4.57 -0.62 -1.69 114.58 119.23 2ja1 h GLU 24 Ca 0.34 -0.71 0.05 0.00 -1.18 0.00 0.00 59.36 57.86 2ja1 h GLU 24 Cb 0.41 0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 2ja1 h GLU 24 CO -0.31 1.30 0.38 1.25 -1.18 0.00 0.00 179.01 180.45 2ja1 h LEU 25 N 0.30 0.58 -0.61 1.64 6.46 -0.55 -2.00 115.31 121.12 2ja1 h LEU 25 Ca -0.13 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.54 2ja1 h LEU 25 Cb 1.65 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.47 2ja1 h LEU 25 CO 0.19 0.38 -0.14 0.40 -0.62 0.00 0.00 178.44 178.65 2ja1 h ILE 26 N 0.71 1.27 -0.37 4.05 2.04 -0.52 -1.44 117.51 123.24 2ja1 h ILE 26 Ca 0.29 -1.28 -0.14 0.00 1.00 0.00 0.00 64.86 64.73 2ja1 h ILE 26 Cb 0.14 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2ja1 h ILE 26 CO -0.16 0.45 -0.33 0.08 0.00 0.00 0.00 178.15 178.18 2ja1 h ARG 27 N 0.85 0.84 0.04 2.37 0.11 -1.14 -0.49 114.38 116.96 2ja1 h ARG 27 Ca 0.13 -0.41 0.00 0.00 0.10 0.00 0.00 59.98 59.80 2ja1 h ARG 27 Cb 0.69 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 2ja1 h ARG 27 CO 0.05 1.04 -0.05 0.00 0.10 0.00 0.00 179.97 181.12 2ja1 h ARG 28 N 0.70 -0.10 -0.55 0.08 3.08 -1.26 -0.85 114.38 115.48 2ja1 h ARG 28 Ca 0.07 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2ja1 h ARG 28 Cb 0.89 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 2ja1 h ARG 28 CO 0.08 -0.07 0.32 0.28 -1.07 0.00 0.00 179.97 179.52 2ja1 h VAL 29 N -0.10 1.17 -0.46 2.04 2.07 -1.17 -2.43 116.25 117.37 2ja1 h VAL 29 Ca 0.00 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.22 2ja1 h VAL 29 Cb 0.10 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 2ja1 h VAL 29 CO -0.02 0.18 0.01 0.03 0.02 0.00 0.00 177.57 177.79 2ja1 h ARG 30 N 0.74 0.12 -0.96 1.57 -0.00 -0.97 -2.31 114.38 112.57 2ja1 h ARG 30 Ca 0.20 -0.01 0.11 0.00 -0.50 0.00 0.00 59.98 59.78 2ja1 h ARG 30 Cb -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 29.97 29.86 2ja1 h ARG 30 CO -0.04 0.08 0.60 0.00 0.00 0.00 0.00 179.97 180.61 2ja1 h ARG 31 N 0.13 0.93 -0.90 0.04 3.08 -0.68 0.87 114.38 117.85 2ja1 h ARG 31 Ca 0.23 -0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.37 2ja1 h ARG 31 Cb 0.33 -0.21 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 2ja1 h ARG 31 CO -0.37 0.62 0.51 1.15 -1.07 0.00 0.00 179.97 180.81 2ja1 h THR 32 N 0.96 0.78 -0.13 2.04 2.02 -1.06 -1.38 112.91 116.14 2ja1 h THR 32 Ca 0.47 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 67.27 2ja1 h THR 32 Cb 0.44 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2ja1 h THR 32 CO -0.26 0.13 -0.47 1.56 0.37 0.00 0.00 175.52 176.86 2ja1 h GLN 33 N 0.73 0.33 0.00 6.66 4.20 -0.56 -2.12 115.11 124.35 2ja1 h GLN 33 Ca 0.49 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.90 2ja1 h GLN 33 Cb 0.64 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2ja1 h GLN 33 CO -0.34 0.73 -0.54 0.74 -0.67 0.00 0.00 178.83 178.75 2ja1 h PHE 34 N 0.27 0.00 0.00 2.96 -1.00 -1.16 -1.79 116.94 116.22 2ja1 h PHE 34 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2ja1 h PHE 34 Cb 0.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 2ja1 h PHE 34 CO 0.02 0.54 0.00 0.00 -1.61 0.00 0.00 178.31 177.26 2ja1 n ALA 35 N -2.39 2.33 -3.44 2.45 0.00 -0.59 -4.88 120.51 113.99 2ja1 n ALA 35 Ca -0.01 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 2ja1 n ALA 35 Cb 0.57 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.93 2ja1 n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ja1 n LYS 36 N -0.64 -4.56 -4.04 0.00 5.02 -0.67 -4.99 118.16 108.27 2ja1 n LYS 36 Ca 0.05 0.64 -0.23 0.00 -2.02 0.00 0.00 58.31 56.75 2ja1 n LYS 36 Cb 0.02 -5.45 -0.04 0.00 -0.02 0.00 0.00 35.03 29.54 2ja1 n LYS 36 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2ja1 s GLN 37 N -6.12 3.15 -0.16 1.97 -0.21 -0.82 -5.05 119.66 112.43 2ja1 s GLN 37 Ca 0.46 -0.87 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 2ja1 s GLN 37 Cb -0.23 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.00 2ja1 s GLN 37 CO 0.57 0.44 0.25 -1.01 -2.12 0.00 0.00 175.29 173.42 2ja1 s HIS 38 N -1.96 3.48 0.13 0.91 3.76 -1.26 -4.33 115.29 116.01 2ja1 s HIS 38 Ca 0.33 0.56 0.07 0.00 -0.15 0.00 0.00 55.06 55.86 2ja1 s HIS 38 Cb -0.09 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2ja1 s HIS 38 CO 0.26 0.32 -0.16 0.00 -0.85 0.00 0.00 174.74 174.31 2ja1 s ALA 39 N 0.23 1.66 0.02 -1.40 0.00 -1.26 -1.03 121.76 119.98 2ja1 s ALA 39 Ca 0.15 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.81 2ja1 s ALA 39 Cb -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2ja1 s ALA 39 CO 0.03 0.17 -0.09 -1.50 0.00 0.00 0.00 175.76 174.38 2ja1 s ILE 40 N -1.95 0.64 -0.10 0.00 2.07 -0.74 -4.99 121.20 116.15 2ja1 s ILE 40 Ca 0.10 -0.73 0.03 0.00 -1.41 0.00 0.00 60.65 58.64 2ja1 s ILE 40 Cb -0.06 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.92 2ja1 s ILE 40 CO 0.04 -0.08 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.12 2ja1 s VAL 41 N -0.76 1.63 0.15 4.00 1.01 -1.26 -0.69 120.40 124.49 2ja1 s VAL 41 Ca -0.02 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2ja1 s VAL 41 Cb -0.06 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2ja1 s VAL 41 CO 0.00 0.47 0.08 -0.36 0.00 0.00 0.00 175.10 175.29 2ja1 s PHE 42 N 0.68 3.04 0.09 5.22 0.40 0.14 -0.46 117.98 127.09 2ja1 s PHE 42 Ca -0.13 -0.05 -0.09 0.00 -0.60 0.00 0.00 56.93 56.07 2ja1 s PHE 42 Cb -0.16 -1.48 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 2ja1 s PHE 42 CO 0.03 0.52 0.19 -1.59 0.70 0.00 0.00 175.22 175.07 2ja1 s LYS 43 N -2.91 0.84 0.38 0.44 -2.85 -0.89 -1.04 119.74 113.71 2ja1 s LYS 43 Ca 0.29 -0.94 -0.24 0.00 -1.00 0.00 0.00 55.97 54.08 2ja1 s LYS 43 Cb -0.10 0.34 -0.10 0.00 -2.06 0.00 0.00 37.83 35.91 2ja1 s LYS 43 CO 0.21 -0.27 0.98 -1.25 0.10 0.00 0.00 175.35 175.12 2ja1 s PRO 44 N -3.80 4.34 0.17 1.78 0.04 -1.26 -0.78 135.00 135.49 2ja1 s PRO 44 Ca 0.04 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.25 2ja1 s PRO 44 Cb 0.05 -2.52 0.12 0.00 0.04 0.00 0.00 34.50 32.18 2ja1 s PRO 44 CO -0.11 0.05 1.70 0.00 0.04 0.00 0.00 177.00 178.69 2ja1 h ILE 46 N 0.14 0.43 -0.85 0.00 2.04 -1.93 -3.38 117.51 113.95 2ja1 h ILE 46 Ca 0.20 -0.11 -0.43 0.00 1.00 0.00 0.00 64.86 65.52 2ja1 h ILE 46 Cb 0.28 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 2ja1 h ILE 46 CO -0.31 0.06 1.11 -0.62 0.00 0.00 0.00 178.15 178.39 2ja1 s ASP 47 N -5.08 5.72 -0.14 1.72 2.15 -0.82 -4.77 116.67 115.46 2ja1 s ASP 47 Ca -0.08 -1.12 0.18 0.00 0.43 0.00 0.00 52.55 51.95 2ja1 s ASP 47 Cb 0.26 -2.57 0.31 0.00 -0.30 0.00 0.00 42.92 40.63 2ja1 s ASP 47 CO 0.80 -2.23 1.16 -0.46 -0.17 0.00 0.00 175.17 174.27 2ja1 n ASN 48 N 11.85 2.24 -0.10 -0.34 6.94 -1.26 -4.72 115.26 129.86 2ja1 n ASN 48 Ca 0.38 -3.20 -0.06 0.00 -0.02 0.00 0.00 54.58 51.68 2ja1 n ASN 48 Cb 0.48 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 2ja1 n ASN 48 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2ja1 h ARG 49 N 0.15 -0.14 0.00 -3.83 3.08 -1.97 -3.19 114.38 108.47 2ja1 h ARG 49 Ca -0.00 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2ja1 h ARG 49 Cb 1.00 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2ja1 h ARG 49 CO 0.00 -0.09 -1.70 0.66 -1.07 0.00 0.00 179.97 177.77 2ja1 n TYR 50 N -5.37 0.00 -3.56 3.04 4.02 -1.26 -5.06 117.16 108.96 2ja1 n TYR 50 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 2ja1 n TYR 50 Cb 0.28 -0.41 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 2ja1 n TYR 50 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2ja1 s SER 51 N -3.88 -0.60 -0.16 7.72 0.15 -1.21 -5.03 113.70 110.70 2ja1 s SER 51 Ca -0.05 0.80 -0.25 0.00 0.70 0.00 0.00 55.95 57.14 2ja1 s SER 51 Cb 0.07 0.69 -0.23 0.00 -1.71 0.00 0.00 66.02 64.84 2ja1 s SER 51 CO 0.55 -0.46 0.55 -0.08 1.20 0.00 0.00 173.24 175.00 2ja1 h GLU 52 N 3.36 0.00 -0.26 5.44 4.81 -1.85 -3.38 114.58 122.70 2ja1 h GLU 52 Ca -0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 2ja1 h GLU 52 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2ja1 h GLU 52 CO 0.29 0.95 -0.11 1.49 -0.73 0.00 0.00 179.01 180.90 2ja1 h GLU 53 N -1.00 0.54 -6.13 1.92 4.57 -1.94 -3.44 114.58 109.10 2ja1 h GLU 53 Ca -0.11 -0.23 -0.55 0.00 -1.18 0.00 0.00 59.36 57.29 2ja1 h GLU 53 Cb 1.05 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.54 2ja1 h GLU 53 CO -0.07 0.78 -0.59 -0.51 -1.18 0.00 0.00 179.01 177.45 2ja1 s ASP 54 N -6.20 4.61 -0.38 1.04 1.01 -1.26 -3.23 116.67 112.25 2ja1 s ASP 54 Ca -0.13 -0.73 -0.19 0.00 0.71 0.00 0.00 52.55 52.21 2ja1 s ASP 54 Cb 0.08 -0.78 0.01 0.00 1.01 0.00 0.00 42.92 43.24 2ja1 s ASP 54 CO 0.78 -0.17 0.54 -0.69 0.21 0.00 0.00 175.17 175.85 2ja1 s VAL 55 N -2.39 4.97 -0.10 -1.27 1.01 -0.54 -4.58 120.40 117.51 2ja1 s VAL 55 Ca 0.35 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.56 2ja1 s VAL 55 Cb -0.04 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2ja1 s VAL 55 CO 0.21 -0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.07 2ja1 s VAL 56 N 2.49 2.37 0.04 2.92 1.01 -1.26 -1.40 120.40 126.56 2ja1 s VAL 56 Ca 0.19 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2ja1 s VAL 56 Cb -0.15 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 2ja1 s VAL 56 CO 0.15 0.55 0.39 -0.55 0.00 0.00 0.00 175.10 175.64 2ja1 s SER 57 N 0.20 6.70 0.00 3.32 0.15 0.10 -4.95 113.70 119.22 2ja1 s SER 57 Ca -0.13 0.84 0.02 0.00 0.70 0.00 0.00 55.95 57.39 2ja1 s SER 57 Cb -0.16 -2.20 0.09 0.00 -1.71 0.00 0.00 66.02 62.03 2ja1 s SER 57 CO 0.07 0.25 1.04 1.57 1.20 0.00 0.00 173.24 177.37 2ja1 n HIS 58 N 1.34 0.00 0.92 3.44 -0.00 -1.26 -0.14 115.22 119.51 2ja1 n HIS 58 Ca -0.11 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.17 2ja1 n HIS 58 Cb 0.52 -0.47 0.51 0.00 -0.12 0.00 0.00 29.99 30.43 2ja1 n HIS 58 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 2ja1 n ASN 59 N -1.47 0.00 0.00 0.26 0.23 -1.26 -4.89 115.26 108.13 2ja1 n ASN 59 Ca 0.01 0.17 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 2ja1 n ASN 59 Cb 0.02 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 2ja1 n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ja1 n GLY 60 N 0.60 0.53 3.90 4.83 0.00 0.80 -5.09 105.19 110.77 2ja1 n GLY 60 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2ja1 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja1 s LEU 61 N 0.00 4.33 0.16 0.99 1.43 -1.22 -4.91 118.68 119.46 2ja1 s LEU 61 Ca 0.00 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2ja1 s LEU 61 Cb 0.00 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2ja1 s LEU 61 CO 0.00 0.15 0.03 -1.59 0.23 0.00 0.00 176.35 175.18 2ja1 s LYS 62 N -2.35 1.05 -0.02 1.70 -2.85 -1.26 -0.72 119.74 115.29 2ja1 s LYS 62 Ca 0.35 -1.51 -0.03 0.00 -1.00 0.00 0.00 55.97 53.78 2ja1 s LYS 62 Cb -0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 2ja1 s LYS 62 CO 0.23 -0.20 0.07 0.54 0.10 0.00 0.00 175.35 176.09 2ja1 s VAL 63 N -3.85 0.03 0.35 1.79 0.11 -0.49 -5.01 120.40 113.34 2ja1 s VAL 63 Ca 0.25 -0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 2ja1 s VAL 63 Cb 0.07 -0.20 -0.11 0.00 -1.53 0.00 0.00 36.38 34.61 2ja1 s VAL 63 CO 0.04 -0.15 1.46 -0.54 -3.33 0.00 0.00 175.10 172.58 2ja1 s LYS 64 N -0.45 4.17 0.17 1.54 1.02 -1.26 -1.47 119.74 123.46 2ja1 s LYS 64 Ca -0.05 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.43 2ja1 s LYS 64 Cb -0.03 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2ja1 s LYS 64 CO 0.00 -0.47 0.06 0.00 -0.92 0.00 0.00 175.35 174.02 2ja1 s ALA 65 N -0.93 1.16 -0.31 5.17 0.00 -1.20 -4.47 121.76 121.18 2ja1 s ALA 65 Ca 0.54 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 2ja1 s ALA 65 Cb -0.45 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.58 2ja1 s ALA 65 CO 0.58 -0.45 0.07 0.08 0.00 0.00 0.00 175.76 176.04 2ja1 s VAL 66 N -3.92 3.66 0.16 0.00 1.01 0.40 -4.72 120.40 116.98 2ja1 s VAL 66 Ca 0.28 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2ja1 s VAL 66 Cb 0.07 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 2ja1 s VAL 66 CO 0.05 -0.05 1.08 -2.84 0.00 0.00 0.00 175.10 173.34 2ja1 s PRO 67 N 1.41 4.60 0.00 2.72 0.02 -1.26 -2.10 135.00 140.39 2ja1 s PRO 67 Ca -0.01 1.68 0.01 0.00 0.02 0.00 0.00 61.00 62.70 2ja1 s PRO 67 Cb -0.19 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 2ja1 s PRO 67 CO 0.02 0.08 -0.04 0.08 -0.33 0.00 0.00 177.00 176.81 2ja1 s VAL 68 N -0.12 0.27 -0.18 3.83 1.01 0.04 -4.86 120.40 120.39 2ja1 s VAL 68 Ca 0.49 -0.29 0.12 0.00 0.00 0.00 0.00 61.98 62.30 2ja1 s VAL 68 Cb -0.28 -0.26 -0.19 0.00 0.00 0.00 0.00 36.38 35.65 2ja1 s VAL 68 CO 0.34 -0.02 -0.00 -1.54 0.00 0.00 0.00 175.10 173.87 2ja1 n SER 69 N 2.74 1.17 -4.43 3.32 3.41 -1.26 -1.42 113.62 117.15 2ja1 n SER 69 Ca -0.14 -0.03 -0.31 0.00 -0.26 0.00 0.00 58.87 58.13 2ja1 n SER 69 Cb 0.58 0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 65.01 2ja1 n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ja1 s ALA 70 N -2.42 2.50 0.27 7.33 0.00 -1.26 -4.84 121.76 123.35 2ja1 s ALA 70 Ca -0.14 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.62 2ja1 s ALA 70 Cb 0.06 -0.67 0.61 0.00 0.00 0.00 0.00 23.12 23.11 2ja1 s ALA 70 CO 0.65 0.56 1.72 0.77 0.00 0.00 0.00 175.76 179.46 2ja1 h SER 71 N 4.63 0.38 0.67 0.00 0.02 -1.92 -2.15 113.55 115.19 2ja1 h SER 71 Ca -0.47 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2ja1 h SER 71 Cb 1.15 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2ja1 h SER 71 CO 0.46 0.09 0.00 0.29 -1.14 0.00 0.00 176.83 176.54 2ja1 n LYS 72 N -4.98 0.19 0.22 3.45 5.02 -1.26 -2.02 118.16 118.77 2ja1 n LYS 72 Ca 0.19 0.44 0.16 0.00 -2.02 0.00 0.00 58.31 57.07 2ja1 n LYS 72 Cb 0.53 -1.87 0.72 0.00 -0.02 0.00 0.00 35.03 34.39 2ja1 n LYS 72 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2ja1 h ASP 73 N 0.00 0.00 -0.85 4.39 3.32 -1.81 -2.82 116.42 118.65 2ja1 h ASP 73 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2ja1 h ASP 73 Cb 0.34 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 2ja1 h ASP 73 CO 0.00 0.00 0.55 0.40 -1.72 0.00 0.00 179.24 178.47 2ja1 h ILE 74 N 0.00 0.97 -0.33 0.35 2.04 -1.58 -2.83 117.51 116.13 2ja1 h ILE 74 Ca 0.00 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2ja1 h ILE 74 Cb 0.26 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2ja1 h ILE 74 CO 0.00 0.15 0.22 -0.26 0.00 0.00 0.00 178.15 178.26 2ja1 h PHE 75 N 0.84 0.33 0.00 1.37 0.05 -1.74 -1.68 116.94 116.12 2ja1 h PHE 75 Ca 0.39 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.19 2ja1 h PHE 75 Cb 0.40 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 38.24 2ja1 h PHE 75 CO -0.00 0.20 0.00 0.39 -0.18 0.00 0.00 178.31 178.72 2ja1 n GLU 76 N -4.49 0.22 0.00 1.51 1.02 -1.07 -2.87 120.64 114.96 2ja1 n GLU 76 Ca 0.03 0.35 0.10 0.00 -0.02 0.00 0.00 57.16 57.61 2ja1 n GLU 76 Cb 0.14 -1.84 -0.04 0.00 -0.02 0.00 0.00 31.44 29.68 2ja1 n GLU 76 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ja1 n HIS 77 N -2.24 0.00 -3.07 -0.32 8.25 -0.63 -4.97 115.22 112.24 2ja1 n HIS 77 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 2ja1 n HIS 77 Cb 0.30 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 2ja1 n HIS 77 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2ja1 s ILE 78 N -2.49 5.02 0.50 1.59 1.01 -1.14 -5.08 121.20 120.62 2ja1 s ILE 78 Ca 0.14 1.32 0.08 0.00 0.00 0.00 0.00 60.65 62.19 2ja1 s ILE 78 Cb 0.16 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2ja1 s ILE 78 CO 0.61 0.16 0.59 -0.89 0.00 0.00 0.00 174.94 175.41 2ja1 s THR 79 N 1.50 2.33 0.14 2.92 2.01 -1.26 -5.03 115.64 118.25 2ja1 s THR 79 Ca 0.33 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 61.21 2ja1 s THR 79 Cb -0.16 -2.49 -0.19 0.00 0.01 0.00 0.00 72.50 69.66 2ja1 s THR 79 CO 0.13 0.00 1.31 -0.08 -0.69 0.00 0.00 174.62 175.29 2ja1 h GLU 80 N 0.55 0.09 -0.43 4.92 4.81 -2.02 -3.30 114.58 119.21 2ja1 h GLU 80 Ca -0.36 -0.13 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 2ja1 h GLU 80 Cb 1.29 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 2ja1 h GLU 80 CO 0.48 0.99 0.33 1.49 -0.73 0.00 0.00 179.01 181.57 2ja1 h GLU 81 N 0.04 0.00 -6.73 1.92 4.81 -2.00 -3.44 114.58 109.18 2ja1 h GLU 81 Ca -0.04 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.70 2ja1 h GLU 81 Cb 1.68 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 2ja1 h GLU 81 CO 0.14 0.00 0.09 -0.48 -0.73 0.00 0.00 179.01 178.02 2ja1 s LEU 82 N -8.51 4.03 -0.06 1.64 0.05 -1.24 -4.59 118.68 109.99 2ja1 s LEU 82 Ca -0.05 1.23 0.06 0.00 0.05 0.00 0.00 54.13 55.43 2ja1 s LEU 82 Cb 0.18 -4.04 -0.09 0.00 -2.05 0.00 0.00 46.19 40.19 2ja1 s LEU 82 CO 0.69 -0.23 0.05 0.47 -0.55 0.00 0.00 176.35 176.77 2ja1 n ASP 83 N -0.51 3.26 -3.94 1.48 8.00 -0.19 -4.97 116.55 119.68 2ja1 n ASP 83 Ca 0.03 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.33 2ja1 n ASP 83 Cb 0.53 0.78 -0.16 0.00 -0.02 0.00 0.00 41.12 42.25 2ja1 n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ja1 s VAL 84 N -2.23 0.68 -0.18 2.53 1.01 -0.89 -1.81 120.40 119.50 2ja1 s VAL 84 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2ja1 s VAL 84 Cb 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.77 2ja1 s VAL 84 CO 0.29 0.24 -0.20 -0.63 0.00 0.00 0.00 175.10 174.81 2ja1 s ILE 85 N 0.66 2.07 -0.06 2.22 1.01 0.24 -1.78 121.20 125.56 2ja1 s ILE 85 Ca -0.10 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.64 2ja1 s ILE 85 Cb -0.13 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 2ja1 s ILE 85 CO 0.01 0.54 -0.12 0.00 0.00 0.00 0.00 174.94 175.36 2ja1 s ALA 86 N 1.25 2.73 -0.13 9.38 0.00 0.14 -0.25 121.76 134.89 2ja1 s ALA 86 Ca 0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2ja1 s ALA 86 Cb -0.13 -1.06 0.04 0.00 0.00 0.00 0.00 23.12 21.97 2ja1 s ALA 86 CO -0.12 0.52 -0.04 0.42 0.00 0.00 0.00 175.76 176.54 2ja1 s ILE 87 N -0.61 0.85 0.30 0.00 1.01 0.23 0.25 121.20 123.22 2ja1 s ILE 87 Ca 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2ja1 s ILE 87 Cb -0.11 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 2ja1 s ILE 87 CO 0.01 0.20 0.55 -0.62 0.00 0.00 0.00 174.94 175.08 2ja1 s ASP 88 N 1.76 6.40 -1.48 3.58 -1.08 -0.20 -0.59 116.67 125.06 2ja1 s ASP 88 Ca 0.03 0.64 -0.09 0.00 -0.52 0.00 0.00 52.55 52.61 2ja1 s ASP 88 Cb -0.14 -2.11 0.06 0.00 -1.46 0.00 0.00 42.92 39.27 2ja1 s ASP 88 CO -0.07 -0.22 0.80 -0.62 0.52 0.00 0.00 175.17 175.58 2ja1 n GLU 89 N -1.13 -4.73 0.34 4.34 -0.58 0.48 -4.25 120.64 115.11 2ja1 n GLU 89 Ca -0.03 0.54 0.22 0.00 -0.42 0.00 0.00 57.16 57.48 2ja1 n GLU 89 Cb 0.54 -5.21 1.16 0.00 -0.57 0.00 0.00 31.44 27.36 2ja1 n GLU 89 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2ja1 h VAL 90 N -1.92 0.00 0.00 2.62 -1.51 -1.14 -2.16 116.25 112.14 2ja1 h VAL 90 Ca -0.60 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2ja1 h VAL 90 Cb 1.37 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2ja1 h VAL 90 CO 0.65 0.00 0.00 0.06 -1.23 0.00 0.00 177.57 177.05 2ja1 h GLN 91 N 0.00 0.00 -0.10 5.19 -0.00 -1.87 -2.06 115.11 116.27 2ja1 h GLN 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2ja1 h GLN 91 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 2ja1 h GLN 91 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 180.02 2ja1 n PHE 92 N -3.08 0.13 -3.34 0.06 3.72 -0.81 -4.51 117.46 109.62 2ja1 n PHE 92 Ca -0.01 -0.07 -0.31 0.00 -0.05 0.00 0.00 57.45 57.01 2ja1 n PHE 92 Cb 0.20 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 2ja1 n PHE 92 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2ja1 s PHE 93 N -1.87 3.43 0.61 1.38 0.40 -0.78 -4.99 117.98 116.16 2ja1 s PHE 93 Ca 0.31 0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 57.42 2ja1 s PHE 93 Cb 0.16 -2.27 0.16 0.00 0.51 0.00 0.00 43.02 41.57 2ja1 s PHE 93 CO 0.25 0.21 0.40 -0.40 0.70 0.00 0.00 175.22 176.38 2ja1 n ASP 94 N -0.36 -2.58 0.29 1.36 5.68 -1.26 -4.86 116.55 114.83 2ja1 n ASP 94 Ca 0.01 -0.48 0.18 0.00 -0.50 0.00 0.00 54.79 54.00 2ja1 n ASP 94 Cb 0.53 -0.43 0.84 0.00 -1.14 0.00 0.00 41.12 40.92 2ja1 n ASP 94 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2ja1 h GLY 95 N -1.97 0.00 2.00 6.12 0.00 -2.01 -2.94 103.07 104.27 2ja1 h GLY 95 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2ja1 h GLY 95 CO 0.11 0.00 -0.12 -0.55 0.00 0.00 0.00 176.54 175.97 2ja1 h ASP 96 N 0.00 0.00 -0.97 0.19 3.32 -2.00 -3.38 116.42 113.59 2ja1 h ASP 96 Ca -0.00 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.25 2ja1 h ASP 96 Cb 0.36 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.80 2ja1 h ASP 96 CO 0.00 0.12 0.55 -0.29 -1.72 0.00 0.00 179.24 177.91 2ja1 h ILE 97 N 0.00 0.64 0.29 0.35 6.09 -1.85 -0.23 117.51 122.79 2ja1 h ILE 97 Ca -0.00 -0.22 -0.01 0.00 -1.37 0.00 0.00 64.86 63.25 2ja1 h ILE 97 Cb 0.47 -0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.69 2ja1 h ILE 97 CO 0.02 0.12 -0.14 0.58 -3.07 0.00 0.00 178.15 175.66 2ja1 h VAL 98 N 0.65 0.73 -0.88 2.19 2.07 -1.86 -0.76 116.25 118.38 2ja1 h VAL 98 Ca 0.58 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 68.12 2ja1 h VAL 98 Cb 0.97 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 2ja1 h VAL 98 CO -0.42 0.02 0.53 -0.33 0.02 0.00 0.00 177.57 177.38 2ja1 h GLU 99 N -0.42 0.86 0.17 1.57 5.08 -1.37 0.71 114.58 121.17 2ja1 h GLU 99 Ca -0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2ja1 h GLU 99 Cb 0.32 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2ja1 h GLU 99 CO 0.06 0.57 -0.08 0.28 -1.00 0.00 0.00 179.01 178.84 2ja1 h VAL 100 N 0.89 0.87 -0.33 3.13 2.07 -0.88 -1.43 116.25 120.56 2ja1 h VAL 100 Ca 0.42 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 2ja1 h VAL 100 Cb 0.36 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2ja1 h VAL 100 CO -0.24 0.03 0.19 0.58 0.02 0.00 0.00 177.57 178.15 2ja1 h VAL 101 N -0.29 1.13 -0.61 2.57 2.07 -0.88 -1.81 116.25 118.43 2ja1 h VAL 101 Ca -0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2ja1 h VAL 101 Cb 0.22 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2ja1 h VAL 101 CO 0.04 0.13 0.29 1.56 0.02 0.00 0.00 177.57 179.61 2ja1 h GLN 102 N 0.42 0.89 -0.30 1.57 1.08 -0.83 -0.88 115.11 117.05 2ja1 h GLN 102 Ca 0.12 -0.13 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 2ja1 h GLN 102 Cb 0.05 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 2ja1 h GLN 102 CO -0.02 0.72 0.08 0.28 -0.95 0.00 0.00 178.83 178.93 2ja1 h VAL 103 N 0.84 0.88 -0.67 -0.54 2.07 -1.16 -0.25 116.25 117.42 2ja1 h VAL 103 Ca 0.21 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 2ja1 h VAL 103 Cb 0.12 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2ja1 h VAL 103 CO -0.03 0.04 0.36 -0.07 0.02 0.00 0.00 177.57 177.89 2ja1 h LEU 104 N 0.19 0.85 -0.44 2.57 3.38 -0.97 -0.97 115.31 119.93 2ja1 h LEU 104 Ca 0.14 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2ja1 h LEU 104 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2ja1 h LEU 104 CO -0.17 0.71 -0.22 0.00 0.09 0.00 0.00 178.44 178.85 2ja1 h ALA 105 N 1.17 0.61 0.00 1.53 0.00 -1.00 -2.02 119.26 119.55 2ja1 h ALA 105 Ca 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2ja1 h ALA 105 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ja1 h ALA 105 CO -0.04 0.60 -0.04 -0.91 0.00 0.00 0.00 179.25 178.87 2ja1 h ASN 106 N 0.75 0.00 0.48 0.00 2.35 -0.76 -1.97 115.58 116.43 2ja1 h ASN 106 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2ja1 h ASN 106 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2ja1 h ASN 106 CO 0.07 0.04 -0.11 0.54 -1.65 0.00 0.00 177.43 176.31 2ja1 n ARG 107 N -4.02 0.51 0.00 0.81 1.74 -0.39 -4.92 116.66 110.39 2ja1 n ARG 107 Ca -0.03 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2ja1 n ARG 107 Cb 0.12 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2ja1 n ARG 107 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ja1 n GLY 108 N 1.32 0.76 3.76 -0.13 0.00 -0.74 -5.00 105.19 105.15 2ja1 n GLY 108 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2ja1 n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ja1 s TYR 109 N -2.00 3.80 -0.40 1.61 1.51 -0.79 -2.76 117.35 118.32 2ja1 s TYR 109 Ca 0.00 1.83 -0.27 0.00 -1.01 0.00 0.00 57.07 57.62 2ja1 s TYR 109 Cb 0.00 -3.07 0.02 0.00 -0.11 0.00 0.00 41.96 38.80 2ja1 s TYR 109 CO 0.00 0.09 1.00 0.50 -1.11 0.00 0.00 175.55 176.03 2ja1 s ARG 110 N -1.42 3.81 -0.27 -0.62 3.52 -0.75 -2.67 118.95 120.55 2ja1 s ARG 110 Ca 0.44 0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 56.58 2ja1 s ARG 110 Cb -0.27 -3.83 -0.01 0.00 -1.56 0.00 0.00 34.95 29.28 2ja1 s ARG 110 CO 0.33 -1.07 0.06 0.08 -0.81 0.00 0.00 175.30 173.89 2ja1 s VAL 111 N 3.75 4.02 -0.21 7.11 1.01 -0.33 -0.59 120.40 135.17 2ja1 s VAL 111 Ca 0.41 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2ja1 s VAL 111 Cb -0.11 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2ja1 s VAL 111 CO 0.22 0.23 -0.02 -0.63 0.00 0.00 0.00 175.10 174.90 2ja1 s ILE 112 N 1.54 3.72 -0.12 2.22 1.01 0.66 -0.86 121.20 129.37 2ja1 s ILE 112 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2ja1 s ILE 112 Cb -0.16 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.65 2ja1 s ILE 112 CO 0.02 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.58 2ja1 s VAL 113 N 1.15 1.35 -0.09 2.92 1.01 0.69 -0.60 120.40 126.84 2ja1 s VAL 113 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2ja1 s VAL 113 Cb -0.14 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2ja1 s VAL 113 CO 0.01 0.42 -0.20 0.00 0.00 0.00 0.00 175.10 175.33 2ja1 s ALA 114 N 1.38 2.36 -0.05 5.51 0.00 0.24 0.36 121.76 131.56 2ja1 s ALA 114 Ca 0.01 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 2ja1 s ALA 114 Cb -0.13 -0.92 0.11 0.00 0.00 0.00 0.00 23.12 22.18 2ja1 s ALA 114 CO -0.07 0.34 1.01 0.20 0.00 0.00 0.00 175.76 177.24 2ja1 s GLY 115 N 0.10 -0.39 0.21 0.00 0.00 -0.55 -0.38 107.32 106.30 2ja1 s GLY 115 Ca -0.09 1.13 -0.31 0.00 0.00 0.00 0.00 44.72 45.44 2ja1 s GLY 115 CO 0.06 0.37 1.62 1.08 0.00 0.00 0.00 173.10 176.23 2ja1 s LEU 116 N -2.44 4.37 0.17 0.66 1.43 -1.26 -3.59 118.68 118.02 2ja1 s LEU 116 Ca 0.07 2.78 -0.06 0.00 -1.03 0.00 0.00 54.13 55.90 2ja1 s LEU 116 Cb -0.01 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.65 2ja1 s LEU 116 CO -0.07 -0.89 1.46 -2.24 0.23 0.00 0.00 176.35 174.85 2ja1 h ASP 117 N 6.29 0.73 -4.59 2.29 2.03 -1.90 -3.42 116.42 117.85 2ja1 h ASP 117 Ca -0.44 -0.40 -0.32 0.00 -0.73 0.00 0.00 57.03 55.14 2ja1 h ASP 117 Cb 1.21 -0.21 -0.22 0.00 -0.83 0.00 0.00 39.33 39.28 2ja1 h ASP 117 CO 0.90 1.14 -0.75 -1.10 -1.03 0.00 0.00 179.24 178.40 2ja1 s GLN 118 N -4.00 0.62 1.04 4.15 -0.21 -1.26 -0.48 119.66 119.52 2ja1 s GLN 118 Ca -0.08 -0.75 -0.18 0.00 0.02 0.00 0.00 55.36 54.37 2ja1 s GLN 118 Cb 0.11 -0.48 0.25 0.00 1.00 0.00 0.00 33.01 33.88 2ja1 s GLN 118 CO 0.86 0.10 1.21 -0.40 -2.12 0.00 0.00 175.29 174.94 2ja1 n ASP 119 N 1.59 -0.67 0.03 5.90 5.68 0.08 -4.83 116.55 124.34 2ja1 n ASP 119 Ca -0.21 -1.35 0.05 0.00 -0.50 0.00 0.00 54.79 52.77 2ja1 n ASP 119 Cb 0.55 -0.98 0.22 0.00 -1.14 0.00 0.00 41.12 39.76 2ja1 n ASP 119 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2ja1 n PHE 120 N -4.14 0.16 1.08 2.11 1.16 -1.26 -1.58 117.46 114.98 2ja1 n PHE 120 Ca 0.16 0.07 0.12 0.00 -1.87 0.00 0.00 57.45 55.93 2ja1 n PHE 120 Cb 0.56 -0.62 0.15 0.00 -1.61 0.00 0.00 39.48 37.97 2ja1 n PHE 120 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2ja1 n ARG 121 N -1.65 0.60 -0.33 3.97 1.74 -1.26 -4.57 116.66 115.15 2ja1 n ARG 121 Ca 0.01 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 2ja1 n ARG 121 Cb 0.08 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2ja1 n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ja1 n GLY 122 N 1.43 0.96 3.75 -0.13 0.00 -0.62 -4.98 105.19 105.60 2ja1 n GLY 122 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2ja1 n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja1 s LEU 123 N 0.00 4.53 0.22 0.99 1.43 -1.26 -4.79 118.68 119.80 2ja1 s LEU 123 Ca 0.00 2.20 -0.32 0.00 -1.03 0.00 0.00 54.13 54.98 2ja1 s LEU 123 Cb 0.00 -3.62 -0.14 0.00 0.03 0.00 0.00 46.19 42.46 2ja1 s LEU 123 CO 0.00 -0.17 1.29 -2.65 0.23 0.00 0.00 176.35 175.05 2ja1 n PRO 124 N 1.68 1.65 0.00 1.29 -0.02 -1.26 -0.74 135.00 137.60 2ja1 n PRO 124 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2ja1 n PRO 124 Cb 0.45 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2ja1 n PRO 124 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2ja1 n PHE 125 N 1.64 0.00 0.00 6.00 -0.00 0.37 -4.73 117.46 120.74 2ja1 n PHE 125 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 2ja1 n PHE 125 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.77 2ja1 n PHE 125 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ja1 n GLY 126 N 3.09 0.21 0.43 7.13 0.00 -1.26 -4.87 105.19 109.92 2ja1 n GLY 126 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2ja1 n GLY 126 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ja1 n GLN 127 N 0.00 2.70 -0.22 1.61 6.02 -1.26 -4.63 117.38 121.60 2ja1 n GLN 127 Ca 0.00 -1.81 0.03 0.00 -0.01 0.00 0.00 57.00 55.20 2ja1 n GLN 127 Cb 0.00 -1.18 0.13 0.00 1.02 0.00 0.00 30.24 30.21 2ja1 n GLN 127 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2ja1 h VAL 128 N 1.41 0.49 -0.63 5.09 2.07 -1.89 0.36 116.25 123.14 2ja1 h VAL 128 Ca 0.00 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.59 2ja1 h VAL 128 Cb 0.63 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 2ja1 h VAL 128 CO 0.00 0.03 -0.18 -0.65 0.02 0.00 0.00 177.57 176.79 2ja1 h PRO 129 N 0.17 -0.02 -0.47 1.57 0.11 -1.87 0.19 132.00 131.68 2ja1 h PRO 129 Ca 0.36 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.40 2ja1 h PRO 129 Cb 0.59 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 2ja1 h PRO 129 CO -0.53 -0.01 -0.01 1.96 -0.21 0.00 0.00 178.00 179.20 2ja1 h GLN 130 N -0.02 0.78 -0.67 1.05 7.50 -1.47 -1.84 115.11 120.44 2ja1 h GLN 130 Ca 0.30 -0.21 -0.08 0.00 0.50 0.00 0.00 58.65 59.16 2ja1 h GLN 130 Cb 0.48 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.89 2ja1 h GLN 130 CO -0.66 0.79 0.10 -0.07 -1.50 0.00 0.00 178.83 177.49 2ja1 h LEU 131 N 0.73 1.07 -0.35 1.46 3.38 -0.15 -2.24 115.31 119.21 2ja1 h LEU 131 Ca 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2ja1 h LEU 131 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2ja1 h LEU 131 CO 0.02 1.06 0.22 0.24 0.09 0.00 0.00 178.44 180.06 2ja1 h MET 132 N 1.04 0.48 -0.70 1.13 2.86 -0.31 -1.31 114.93 118.11 2ja1 h MET 132 Ca 0.20 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2ja1 h MET 132 Cb 0.45 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2ja1 h MET 132 CO 0.01 0.36 0.46 0.00 1.06 0.00 0.00 176.91 178.80 2ja1 h ALA 133 N 1.10 0.90 0.00 6.32 0.00 -1.07 -3.14 119.26 123.37 2ja1 h ALA 133 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ja1 h ALA 133 Cb -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2ja1 h ALA 133 CO -0.02 0.28 -0.78 0.44 0.00 0.00 0.00 179.25 179.16 2ja1 n ILE 134 N -4.62 0.33 -2.49 0.00 -5.35 -0.87 -4.93 119.36 101.44 2ja1 n ILE 134 Ca 0.07 -0.29 -0.38 0.00 -0.27 0.00 0.00 62.75 61.87 2ja1 n ILE 134 Cb 0.04 -0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 37.85 2ja1 n ILE 134 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ja1 s ALA 135 N -3.20 3.17 0.34 -1.28 0.00 -0.51 -4.94 121.76 115.34 2ja1 s ALA 135 Ca 0.05 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.86 2ja1 s ALA 135 Cb 0.13 -3.30 0.61 0.00 0.00 0.00 0.00 23.12 20.56 2ja1 s ALA 135 CO 0.75 -0.25 1.83 0.93 0.00 0.00 0.00 175.76 179.02 2ja1 h GLU 136 N 2.85 0.35 -4.40 0.00 3.07 -1.69 -3.44 114.58 111.33 2ja1 h GLU 136 Ca -0.48 -0.10 -0.38 0.00 -0.50 0.00 0.00 59.36 57.90 2ja1 h GLU 136 Cb 1.22 -0.04 -0.30 0.00 -0.84 0.00 0.00 28.75 28.79 2ja1 h GLU 136 CO 0.63 0.53 -0.77 -1.01 -1.40 0.00 0.00 179.01 176.99 2ja1 s HIS 137 N -4.63 0.70 -0.11 4.33 3.76 -0.92 -5.04 115.29 113.38 2ja1 s HIS 137 Ca -0.06 -0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 54.70 2ja1 s HIS 137 Cb 0.15 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.36 2ja1 s HIS 137 CO 0.76 -0.07 -0.08 0.08 -0.85 0.00 0.00 174.74 174.58 2ja1 s VAL 138 N 0.15 1.07 -0.33 -0.90 1.01 -1.26 0.14 120.40 120.28 2ja1 s VAL 138 Ca -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2ja1 s VAL 138 Cb -0.06 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.30 2ja1 s VAL 138 CO -0.00 0.37 0.06 -0.89 0.00 0.00 0.00 175.10 174.64 2ja1 s THR 139 N 1.62 3.25 -0.52 3.92 2.01 0.10 -4.97 115.64 121.06 2ja1 s THR 139 Ca 0.04 -1.42 -0.17 0.00 0.31 0.00 0.00 61.69 60.44 2ja1 s THR 139 Cb -0.13 -2.92 0.08 0.00 0.01 0.00 0.00 72.50 69.55 2ja1 s THR 139 CO -0.08 -0.22 0.54 -0.75 -0.69 0.00 0.00 174.62 173.43 2ja1 s LYS 140 N 1.27 3.04 0.48 4.92 2.47 -1.26 -1.17 119.74 129.50 2ja1 s LYS 140 Ca -0.02 -1.27 -0.19 0.00 -1.56 0.00 0.00 55.97 52.92 2ja1 s LYS 140 Cb -0.20 -4.18 -0.09 0.00 -1.46 0.00 0.00 37.83 31.90 2ja1 s LYS 140 CO -0.01 -1.24 1.00 -0.51 0.16 0.00 0.00 175.35 174.75 2ja1 s LEU 141 N 2.14 3.80 -0.06 5.43 1.43 0.91 -4.97 118.68 127.35 2ja1 s LEU 141 Ca 0.09 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.98 2ja1 s LEU 141 Cb -0.24 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.44 2ja1 s LEU 141 CO 0.07 -0.62 -0.18 -1.10 0.23 0.00 0.00 176.35 174.75 2ja1 s GLN 142 N -3.47 2.11 0.00 1.70 -0.21 -1.26 -4.42 119.66 114.12 2ja1 s GLN 142 Ca 0.63 -0.65 -0.00 0.00 0.02 0.00 0.00 55.36 55.37 2ja1 s GLN 142 Cb -0.12 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.15 2ja1 s GLN 142 CO 0.21 0.19 0.00 0.00 -2.12 0.00 0.00 175.29 173.57 2ja1 n ALA 143 N 3.38 -0.00 -2.82 6.09 0.00 -1.26 -4.83 120.51 121.08 2ja1 n ALA 143 Ca -0.19 -0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 2ja1 n ALA 143 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 2ja1 n ALA 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ja1 s VAL 144 N -0.22 4.31 0.07 0.00 1.01 -1.26 -0.61 120.40 123.69 2ja1 s VAL 144 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 2ja1 s VAL 144 Cb -0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 2ja1 s VAL 144 CO 0.00 0.53 1.68 0.00 0.00 0.00 0.00 175.10 177.31 2ja1 h SER 146 N 8.50 0.00 0.00 0.00 4.64 -1.36 -1.33 113.55 124.00 2ja1 h SER 146 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ja1 h SER 146 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ja1 h SER 146 CO 0.93 0.00 -0.05 0.58 -0.87 0.00 0.00 176.83 177.42 2ja1 h VAL 147 N 0.00 0.20 0.00 0.95 2.07 -1.89 -3.44 116.25 114.14 2ja1 h VAL 147 Ca 0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2ja1 h VAL 147 Cb 0.61 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2ja1 h VAL 147 CO 0.00 0.07 -0.97 0.00 0.02 0.00 0.00 177.57 176.69 2ja1 n GLY 149 N 1.45 3.36 3.87 0.00 0.00 -0.50 -5.02 105.19 108.36 2ja1 n GLY 149 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2ja1 n GLY 149 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ja1 s SER 150 N -0.91 3.72 0.42 1.61 1.04 -1.26 -4.44 113.70 113.87 2ja1 s SER 150 Ca 0.00 0.66 -0.26 0.00 0.48 0.00 0.00 55.95 56.83 2ja1 s SER 150 Cb 0.00 -1.02 -0.08 0.00 0.10 0.00 0.00 66.02 65.02 2ja1 s SER 150 CO 0.00 -2.39 1.30 -2.84 0.98 0.00 0.00 173.24 170.29 2ja1 s PRO 151 N -5.60 3.90 0.38 4.02 0.02 -1.26 -0.55 135.00 135.91 2ja1 s PRO 151 Ca 0.66 2.14 0.04 0.00 0.02 0.00 0.00 61.00 63.86 2ja1 s PRO 151 Cb -0.10 -2.70 -0.01 0.00 0.02 0.00 0.00 34.50 31.71 2ja1 s PRO 151 CO 0.51 -0.54 0.56 0.00 -0.33 0.00 0.00 177.00 177.20 2ja1 s ALA 152 N -1.28 4.03 0.00 -1.55 0.00 0.22 -4.44 121.76 118.73 2ja1 s ALA 152 Ca 0.58 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2ja1 s ALA 152 Cb -0.38 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2ja1 s ALA 152 CO 0.48 -0.18 0.39 -1.13 0.00 0.00 0.00 175.76 175.31 2ja1 n SER 153 N -1.83 0.00 -4.15 0.00 3.41 -0.27 -4.05 113.62 106.73 2ja1 n SER 153 Ca 0.00 -1.05 -0.16 0.00 -0.26 0.00 0.00 58.87 57.41 2ja1 n SER 153 Cb 0.58 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.40 2ja1 n SER 153 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2ja1 s ARG 154 N 0.00 0.76 -0.25 4.33 1.81 0.48 -4.62 118.95 121.46 2ja1 s ARG 154 Ca 0.00 -0.98 -0.11 0.00 -1.72 0.00 0.00 55.73 52.92 2ja1 s ARG 154 Cb 0.00 -0.60 -0.05 0.00 -0.45 0.00 0.00 34.95 33.86 2ja1 s ARG 154 CO 0.00 0.11 0.17 0.99 -0.68 0.00 0.00 175.30 175.90 2ja1 s THR 155 N -1.73 5.34 -0.25 0.02 2.01 -1.26 -0.99 115.64 118.78 2ja1 s THR 155 Ca -0.01 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.02 2ja1 s THR 155 Cb -0.07 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2ja1 s THR 155 CO 0.01 0.32 0.43 -1.58 -0.69 0.00 0.00 174.62 173.11 2ja1 s GLN 156 N 1.26 4.06 -0.15 4.92 2.00 0.70 -4.37 119.66 128.09 2ja1 s GLN 156 Ca 0.08 0.18 -0.15 0.00 -2.00 0.00 0.00 55.36 53.46 2ja1 s GLN 156 Cb -0.14 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 29.99 2ja1 s GLN 156 CO 0.06 -0.26 0.36 0.50 -0.50 0.00 0.00 175.29 175.45 2ja1 s ARG 157 N 2.03 4.28 -0.04 1.67 3.52 -1.26 -1.67 118.95 127.48 2ja1 s ARG 157 Ca 0.18 0.22 0.06 0.00 -0.13 0.00 0.00 55.73 56.06 2ja1 s ARG 157 Cb -0.16 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2ja1 s ARG 157 CO 0.09 0.19 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.05 2ja1 s LEU 158 N 0.57 2.26 -0.10 -0.88 1.43 0.08 -1.55 118.68 120.50 2ja1 s LEU 158 Ca 0.20 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2ja1 s LEU 158 Cb -0.14 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2ja1 s LEU 158 CO 0.06 0.31 -0.13 -0.63 0.23 0.00 0.00 176.35 176.19 2ja1 s ILE 159 N -0.52 1.30 -1.79 -0.59 1.01 0.74 -1.44 121.20 119.90 2ja1 s ILE 159 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2ja1 s ILE 159 Cb -0.11 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.15 2ja1 s ILE 159 CO 0.01 0.40 0.00 0.47 0.00 0.00 0.00 174.94 175.82 2ja1 n ASP 160 N 4.25 -4.82 0.00 3.58 9.92 -0.57 -1.85 116.55 127.06 2ja1 n ASP 160 Ca -0.19 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2ja1 n ASP 160 Cb 0.51 -4.25 0.00 0.00 -0.64 0.00 0.00 41.12 36.74 2ja1 n ASP 160 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ja1 n GLY 161 N -0.49 3.02 3.85 0.44 0.00 -1.26 -5.04 105.19 105.71 2ja1 n GLY 161 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2ja1 n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ja1 s GLU 162 N -0.57 3.93 0.08 1.61 0.41 -0.77 -5.00 118.70 118.39 2ja1 s GLU 162 Ca 0.00 0.43 -0.37 0.00 -0.41 0.00 0.00 54.97 54.62 2ja1 s GLU 162 Cb 0.00 -2.90 -0.17 0.00 -1.78 0.00 0.00 34.13 29.28 2ja1 s GLU 162 CO 0.00 0.47 1.30 -2.30 -0.49 0.00 0.00 175.26 174.24 2ja1 n PRO 163 N 0.69 0.99 -0.95 0.39 -0.02 -1.26 -0.19 135.00 134.66 2ja1 n PRO 163 Ca -0.05 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 2ja1 n PRO 163 Cb 0.52 -1.98 0.14 0.00 -0.02 0.00 0.00 33.50 32.16 2ja1 n PRO 163 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ja1 n ALA 164 N 2.36 -0.37 -1.83 3.55 0.00 -0.59 -4.73 120.51 118.90 2ja1 n ALA 164 Ca 0.19 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 2ja1 n ALA 164 Cb 0.18 -2.22 0.02 0.00 0.00 0.00 0.00 19.45 17.43 2ja1 n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja1 s ALA 165 N -2.30 3.00 0.23 0.00 0.00 -1.26 -4.13 121.76 117.29 2ja1 s ALA 165 Ca 0.71 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 2ja1 s ALA 165 Cb -0.27 -3.09 0.36 0.00 0.00 0.00 0.00 23.12 20.13 2ja1 s ALA 165 CO 0.54 -0.84 1.74 0.35 0.00 0.00 0.00 175.76 177.54 2ja1 h PHE 166 N -0.43 0.45 -0.66 0.00 3.57 -1.81 -3.02 116.94 115.04 2ja1 h PHE 166 Ca -0.44 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 60.97 2ja1 h PHE 166 Cb 1.20 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.77 2ja1 h PHE 166 CO 0.63 0.08 0.15 -0.40 -2.23 0.00 0.00 178.31 176.55 2ja1 n ASP 167 N -5.00 5.14 -4.69 0.41 5.68 -1.26 -4.95 116.55 111.87 2ja1 n ASP 167 Ca 0.11 -3.12 -0.42 0.00 -0.50 0.00 0.00 54.79 50.86 2ja1 n ASP 167 Cb 0.34 -0.72 -0.03 0.00 -1.14 0.00 0.00 41.12 39.57 2ja1 n ASP 167 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2ja1 s ASP 168 N -1.00 7.03 0.74 -1.12 1.01 -1.15 -4.99 116.67 117.19 2ja1 s ASP 168 Ca 0.55 1.89 -0.16 0.00 0.71 0.00 0.00 52.55 55.54 2ja1 s ASP 168 Cb 0.43 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 2ja1 s ASP 168 CO 0.14 -0.58 0.82 -2.65 0.21 0.00 0.00 175.17 173.11 2ja1 n PRO 169 N 4.97 0.38 0.10 8.23 -0.02 -1.26 -4.92 135.00 142.48 2ja1 n PRO 169 Ca 0.11 0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.73 2ja1 n PRO 169 Cb 0.46 -2.09 0.15 0.00 -0.02 0.00 0.00 33.50 32.00 2ja1 n PRO 169 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2ja1 h ILE 170 N -0.40 1.39 -3.72 4.25 2.04 -2.01 -3.38 117.51 115.68 2ja1 h ILE 170 Ca -0.46 -1.95 -0.69 0.00 1.00 0.00 0.00 64.86 62.76 2ja1 h ILE 170 Cb 1.33 2.00 -0.31 0.00 -0.74 0.00 0.00 36.82 39.11 2ja1 h ILE 170 CO 0.45 0.57 -0.65 -0.63 0.00 0.00 0.00 178.15 177.89 2ja1 s ILE 171 N -3.77 3.42 -0.31 -0.67 1.01 -1.26 -5.06 121.20 114.55 2ja1 s ILE 171 Ca -0.03 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.29 2ja1 s ILE 171 Cb 0.12 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2ja1 s ILE 171 CO 0.78 -0.14 0.14 -0.76 0.00 0.00 0.00 174.94 174.96 2ja1 s LEU 172 N 1.33 4.10 0.00 2.97 1.02 -1.26 -5.06 118.68 121.77 2ja1 s LEU 172 Ca -0.03 -0.62 -0.00 0.00 0.02 0.00 0.00 54.13 53.50 2ja1 s LEU 172 Cb -0.20 -1.97 -0.00 0.00 0.02 0.00 0.00 46.19 44.04 2ja1 s LEU 172 CO 0.01 -0.21 1.00 0.58 0.02 0.00 0.00 176.35 177.75 2ja1 h VAL 173 N 5.74 0.00 -0.53 -1.59 2.07 -1.98 -3.09 116.25 116.87 2ja1 h VAL 173 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2ja1 h VAL 173 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2ja1 h VAL 173 CO 0.62 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.82 2ja1 n GLY 174 N -1.00 1.62 3.75 2.17 0.00 -1.26 -5.01 105.19 105.45 2ja1 n GLY 174 Ca -0.00 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2ja1 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ja1 s ALA 175 N -1.37 2.50 -0.66 4.61 0.00 -1.17 -4.97 121.76 120.69 2ja1 s ALA 175 Ca 0.36 1.07 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 2ja1 s ALA 175 Cb 0.20 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.97 2ja1 s ALA 175 CO 0.23 -1.29 0.72 -1.54 0.00 0.00 0.00 175.76 173.88 2ja1 s SER 176 N -1.53 6.33 0.27 0.00 1.04 -1.26 -5.04 113.70 113.51 2ja1 s SER 176 Ca 0.79 -1.79 0.11 0.00 0.48 0.00 0.00 55.95 55.54 2ja1 s SER 176 Cb -0.33 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2ja1 s SER 176 CO 0.35 -0.97 -0.11 -1.83 0.98 0.00 0.00 173.24 171.66 2ja1 s GLU 177 N 2.04 1.96 0.07 4.02 -1.05 -1.26 -1.52 118.70 122.97 2ja1 s GLU 177 Ca 0.13 -1.60 -0.15 0.00 -0.15 0.00 0.00 54.97 53.19 2ja1 s GLU 177 Cb -0.21 -1.95 0.03 0.00 -0.44 0.00 0.00 34.13 31.56 2ja1 s GLU 177 CO 0.01 0.35 0.36 -1.54 0.95 0.00 0.00 175.26 175.39 2ja1 s SER 178 N -3.58 -0.19 -0.06 0.83 1.04 -0.52 -5.00 113.70 106.22 2ja1 s SER 178 Ca 0.31 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.55 2ja1 s SER 178 Cb -0.06 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.49 2ja1 s SER 178 CO 0.17 -0.72 -0.13 -0.31 0.98 0.00 0.00 173.24 173.23 2ja1 s TYR 179 N -3.06 1.53 0.01 5.02 2.02 -1.26 -0.74 117.35 120.87 2ja1 s TYR 179 Ca -0.02 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 2ja1 s TYR 179 Cb 0.01 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2ja1 s TYR 179 CO -0.07 -0.27 0.02 -1.83 -1.57 0.00 0.00 175.55 171.84 2ja1 s GLU 180 N 0.57 0.32 0.42 -0.62 -1.05 -0.67 -4.97 118.70 112.70 2ja1 s GLU 180 Ca -0.14 -0.46 -0.24 0.00 -0.15 0.00 0.00 54.97 53.99 2ja1 s GLU 180 Cb -0.15 0.12 -0.08 0.00 -0.44 0.00 0.00 34.13 33.57 2ja1 s GLU 180 CO 0.04 -0.06 1.09 -1.25 0.95 0.00 0.00 175.26 176.03 2ja1 s PRO 181 N -1.23 4.02 0.05 -4.83 0.04 -1.26 -0.21 135.00 131.58 2ja1 s PRO 181 Ca -0.13 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 2ja1 s PRO 181 Cb -0.08 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 2ja1 s PRO 181 CO -0.00 -0.28 0.02 1.03 0.04 0.00 0.00 177.00 177.81 2ja1 s ARG 182 N -2.58 0.62 1.03 4.56 0.52 -0.16 -0.92 118.95 122.02 2ja1 s ARG 182 Ca 0.60 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 54.59 2ja1 s ARG 182 Cb -0.24 0.23 0.22 0.00 0.52 0.00 0.00 34.95 35.68 2ja1 s ARG 182 CO 0.30 -0.14 1.24 0.00 0.02 0.00 0.00 175.30 176.72 2ja1 h ARG 184 N -1.92 0.00 0.08 0.00 0.11 -1.94 -1.44 114.38 109.27 2ja1 h ARG 184 Ca -0.45 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.35 2ja1 h ARG 184 Cb 1.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 2ja1 h ARG 184 CO 0.39 0.02 -1.44 0.45 0.10 0.00 0.00 179.97 179.50 2ja1 h HIS 185 N 0.00 0.31 0.00 4.08 3.86 -1.99 -3.33 115.15 118.09 2ja1 h HIS 185 Ca -0.00 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2ja1 h HIS 185 Cb 0.65 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2ja1 h HIS 185 CO 0.00 1.26 -0.99 0.00 0.86 0.00 0.00 177.93 179.06 2ja1 n HIS 187 N -2.55 2.54 -3.82 0.00 -0.00 -0.55 -4.95 115.22 105.88 2ja1 n HIS 187 Ca 0.00 0.17 -0.27 0.00 -0.00 0.00 0.00 57.72 57.63 2ja1 n HIS 187 Cb 0.53 -2.60 -0.17 0.00 -0.00 0.00 0.00 29.99 27.75 2ja1 n HIS 187 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ja1 s ALA 188 N 0.90 1.18 -0.44 1.57 0.00 -1.26 -4.98 121.76 118.72 2ja1 s ALA 188 Ca 0.75 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.10 2ja1 s ALA 188 Cb -0.58 -1.05 0.13 0.00 0.00 0.00 0.00 23.12 21.62 2ja1 s ALA 188 CO 0.37 -0.80 0.22 0.08 0.00 0.00 0.00 175.76 175.63 2ja1 s VAL 189 N 1.77 1.65 0.00 0.00 1.01 -1.26 -4.66 120.40 118.91 2ja1 s VAL 189 Ca 0.01 -2.63 0.00 0.00 0.00 0.00 0.00 61.98 59.37 2ja1 s VAL 189 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2ja1 s VAL 189 CO -0.07 -0.85 0.00 -0.81 0.00 0.00 0.00 175.10 173.37 2ja1 n PRO 190 N 3.57 1.41 0.00 2.72 -0.04 -1.26 -4.85 135.00 136.55 2ja1 n PRO 190 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2ja1 n PRO 190 Cb 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 2ja1 n PRO 190 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46