#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ejm s SER 2 N 0.00 2.43 0.40 1.61 1.04 -1.26 -5.14 113.70 112.79 2ejm s SER 2 Ca 0.00 -1.39 0.08 0.00 0.48 0.00 0.00 55.95 55.12 2ejm s SER 2 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 2ejm s SER 2 CO 0.00 -0.61 0.24 -0.44 0.98 0.00 0.00 173.24 173.40 2ejm s SER 3 N -3.50 4.65 -0.22 7.02 0.01 -1.26 -5.13 113.70 115.27 2ejm s SER 3 Ca 0.36 -0.94 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 2ejm s SER 3 Cb 0.09 -0.54 0.10 0.00 0.21 0.00 0.00 66.02 65.87 2ejm s SER 3 CO 0.16 -0.54 0.22 -0.83 0.41 0.00 0.00 173.24 172.65 2ejm s GLY 4 N -3.96 0.04 0.21 3.44 0.00 -1.26 -5.14 107.32 100.65 2ejm s GLY 4 Ca 0.43 0.03 0.03 0.00 0.00 0.00 0.00 44.72 45.21 2ejm s GLY 4 CO 0.24 2.19 -0.01 -0.56 0.00 0.00 0.00 173.10 174.96 2ejm s SER 5 N 2.30 1.71 0.25 1.64 0.01 -1.26 -5.17 113.70 113.19 2ejm s SER 5 Ca 0.07 -1.19 0.10 0.00 1.31 0.00 0.00 55.95 56.24 2ejm s SER 5 Cb -0.16 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2ejm s SER 5 CO -0.17 -0.51 -0.09 -0.55 0.41 0.00 0.00 173.24 172.33 2ejm s SER 6 N -3.27 4.16 -0.05 2.44 0.15 -1.26 -5.07 113.70 110.80 2ejm s SER 6 Ca 0.27 -0.76 -0.30 0.00 0.70 0.00 0.00 55.95 55.86 2ejm s SER 6 Cb 0.05 -0.63 -0.07 0.00 -1.71 0.00 0.00 66.02 63.67 2ejm s SER 6 CO 0.07 0.03 1.83 -0.83 1.20 0.00 0.00 173.24 175.54 2ejm s GLY 7 N -3.45 1.38 -0.35 9.45 0.00 -1.26 -4.94 107.32 108.15 2ejm s GLY 7 Ca 0.30 1.04 -0.26 0.00 0.00 0.00 0.00 44.72 45.80 2ejm s GLY 7 CO 0.17 3.28 0.93 0.14 0.00 0.00 0.00 173.10 177.62 2ejm s VAL 8 N 4.69 4.60 0.16 1.40 1.01 -1.26 -4.98 120.40 126.02 2ejm s VAL 8 Ca 0.82 1.26 -0.23 0.00 0.00 0.00 0.00 61.98 63.82 2ejm s VAL 8 Cb -0.36 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 31.76 2ejm s VAL 8 CO 0.35 -0.49 0.68 -0.55 0.00 0.00 0.00 175.10 175.09 2ejm s SER 9 N 1.82 -0.45 0.58 3.32 0.15 -1.26 -5.15 113.70 112.71 2ejm s SER 9 Ca 0.38 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2ejm s SER 9 Cb -0.12 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2ejm s SER 9 CO 0.17 -1.01 0.00 -1.20 1.20 0.00 0.00 173.24 172.41 2ejm n SER 10 N -0.38 -7.82 0.14 5.45 7.64 -1.26 -4.53 113.62 112.85 2ejm n SER 10 Ca -0.12 1.32 -0.15 0.00 1.01 0.00 0.00 58.87 60.93 2ejm n SER 10 Cb 0.63 -4.76 -0.09 0.00 -1.01 0.00 0.00 64.21 58.98 2ejm n SER 10 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2ejm h GLN 11 N -1.37 -0.70 -3.62 1.43 4.15 -2.04 -3.48 115.11 109.48 2ejm h GLN 11 Ca -0.17 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2ejm h GLN 11 Cb 1.34 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.19 2ejm h GLN 11 CO 0.07 -0.46 -0.90 -1.91 -1.93 0.00 0.00 178.83 173.70 2ejm n GLU 12 N -5.11 -4.37 -3.74 1.69 2.13 -1.26 -5.03 120.64 104.94 2ejm n GLU 12 Ca -0.08 3.28 -0.13 0.00 0.66 0.00 0.00 57.16 60.89 2ejm n GLU 12 Cb 0.37 -3.77 -0.13 0.00 0.27 0.00 0.00 31.44 28.19 2ejm n GLU 12 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2ejm s THR 13 N -3.79 -0.04 -0.22 6.31 2.01 -1.26 -5.15 115.64 113.51 2ejm s THR 13 Ca 0.00 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 2ejm s THR 13 Cb 0.00 -0.34 0.07 0.00 0.01 0.00 0.00 72.50 72.24 2ejm s THR 13 CO 0.00 0.05 0.54 -1.10 -0.69 0.00 0.00 174.62 173.43 2ejm s GLN 14 N 1.07 0.54 -0.46 4.92 -0.21 -1.26 -5.10 119.66 119.17 2ejm s GLN 14 Ca -0.08 0.99 0.05 0.00 0.02 0.00 0.00 55.36 56.34 2ejm s GLN 14 Cb -0.09 0.06 0.18 0.00 1.00 0.00 0.00 33.01 34.16 2ejm s GLN 14 CO -0.07 -0.15 0.40 0.41 -2.12 0.00 0.00 175.29 173.76 2ejm n GLY 15 N 4.27 2.57 0.00 3.09 0.00 -1.26 -5.10 105.19 108.76 2ejm n GLY 15 Ca -0.22 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2ejm n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ejm n GLY 16 N 2.46 -1.81 3.81 -0.02 0.00 -1.26 -4.32 105.19 104.05 2ejm n GLY 16 Ca 0.27 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 2ejm n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ejm s PRO 17 N -0.69 2.39 0.00 1.61 0.04 -1.25 -4.97 135.00 132.13 2ejm s PRO 17 Ca 0.00 0.75 0.07 0.00 0.04 0.00 0.00 61.00 61.86 2ejm s PRO 17 Cb 0.00 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2ejm s PRO 17 CO 0.00 -1.43 -0.22 -0.51 0.04 0.00 0.00 177.00 174.88 2ejm s LEU 18 N -5.69 2.08 0.30 -3.56 1.43 -1.26 -2.97 118.68 109.01 2ejm s LEU 18 Ca 0.60 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 2ejm s LEU 18 Cb -0.14 -1.08 -0.13 0.00 0.03 0.00 0.00 46.19 44.86 2ejm s LEU 18 CO 0.54 0.24 1.23 0.00 0.23 0.00 0.00 176.35 178.59 2ejm n ALA 19 N 2.32 0.77 0.05 4.21 0.00 0.41 -4.83 120.51 123.43 2ejm n ALA 19 Ca -0.16 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 2ejm n ALA 19 Cb 0.53 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 2ejm n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ejm h PRO 20 N 2.73 0.46 -2.86 0.00 0.13 -1.92 -2.92 132.00 127.63 2ejm h PRO 20 Ca -0.44 -0.45 0.07 0.00 -0.87 0.00 0.00 66.00 64.31 2ejm h PRO 20 Cb 1.30 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.50 2ejm h PRO 20 CO 0.65 1.10 0.31 1.41 -0.23 0.00 0.00 178.00 181.23 2ejm s MET 21 N -3.42 1.76 -0.04 0.86 -2.45 -1.26 -4.75 119.30 110.01 2ejm s MET 21 Ca -0.06 -1.03 -0.30 0.00 -1.25 0.00 0.00 55.69 53.05 2ejm s MET 21 Cb 0.09 0.56 -0.05 0.00 1.25 0.00 0.00 34.83 36.69 2ejm s MET 21 CO 0.87 -0.81 1.44 0.99 1.05 0.00 0.00 175.02 178.55 2ejm s THR 22 N -3.33 3.76 0.00 10.11 2.01 -1.26 -4.42 115.64 122.51 2ejm s THR 22 Ca 0.13 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.20 2ejm s THR 22 Cb -0.05 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2ejm s THR 22 CO 0.07 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2ejm n GLY 23 N 3.75 2.75 2.92 4.40 0.00 -1.18 -4.53 105.19 113.29 2ejm n GLY 23 Ca 0.14 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 2ejm n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ejm s THR 24 N -2.36 0.68 -0.50 2.61 2.01 0.77 -2.51 115.64 116.34 2ejm s THR 24 Ca 0.00 -0.21 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 2ejm s THR 24 Cb 0.00 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 2ejm s THR 24 CO 0.00 0.26 2.19 -0.63 -0.69 0.00 0.00 174.62 175.74 2ejm s ILE 25 N 0.86 3.14 0.01 1.82 -1.09 0.13 0.23 121.20 126.30 2ejm s ILE 25 Ca -0.12 0.09 -0.25 0.00 -2.23 0.00 0.00 60.65 58.15 2ejm s ILE 25 Cb -0.15 -3.34 -0.18 0.00 -1.58 0.00 0.00 42.46 37.21 2ejm s ILE 25 CO 0.01 -0.32 1.31 -0.08 -1.23 0.00 0.00 174.94 174.63 2ejm h GLU 26 N 17.43 -0.18 -4.94 2.79 4.57 0.17 1.33 114.58 135.76 2ejm h GLU 26 Ca -0.26 0.01 -0.41 0.00 -1.18 0.00 0.00 59.36 57.52 2ejm h GLU 26 Cb 1.23 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.72 2ejm h GLU 26 CO 1.16 0.16 -0.58 0.15 -1.18 0.00 0.00 179.01 178.72 2ejm s LYS 27 N -4.69 1.57 -0.29 1.92 -0.14 -1.02 -4.29 119.74 112.81 2ejm s LYS 27 Ca -0.15 -1.88 0.00 0.00 -1.36 0.00 0.00 55.97 52.58 2ejm s LYS 27 Cb 0.02 -0.30 0.14 0.00 -1.68 0.00 0.00 37.83 36.02 2ejm s LYS 27 CO 0.61 -0.37 0.34 0.08 -0.76 0.00 0.00 175.35 175.25 2ejm s VAL 28 N -3.59 -0.50 -0.83 3.17 1.01 -1.26 -1.18 120.40 117.22 2ejm s VAL 28 Ca 0.35 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2ejm s VAL 28 Cb 0.06 -0.98 0.31 0.00 0.00 0.00 0.00 36.38 35.78 2ejm s VAL 28 CO 0.15 -0.38 2.09 0.49 0.00 0.00 0.00 175.10 177.45 2ejm n PHE 29 N 5.33 2.81 -3.72 5.22 3.72 0.37 -4.92 117.46 126.27 2ejm n PHE 29 Ca -0.01 -2.31 -0.05 0.00 -0.05 0.00 0.00 57.45 55.02 2ejm n PHE 29 Cb 0.48 -1.22 -0.01 0.00 -0.94 0.00 0.00 39.48 37.79 2ejm n PHE 29 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2ejm n VAL 30 N -0.32 0.00 -3.29 -4.37 0.24 -1.21 -4.63 118.33 104.76 2ejm n VAL 30 Ca 0.53 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2ejm n VAL 30 Cb 0.27 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 2ejm n VAL 30 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2ejm n LYS 31 N -0.21 0.00 -4.01 7.34 -0.00 -1.26 -5.11 118.16 114.90 2ejm n LYS 31 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 2ejm n LYS 31 Cb 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.18 2ejm n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ejm s ALA 32 N -1.00 3.74 -1.51 0.58 0.00 -1.26 -4.28 121.76 118.03 2ejm s ALA 32 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2ejm s ALA 32 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2ejm s ALA 32 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.84 2ejm n GLY 33 N 1.50 0.51 4.00 0.00 0.00 0.16 -4.99 105.19 106.38 2ejm n GLY 33 Ca -0.15 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 2ejm n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ejm s ASP 34 N -2.51 5.58 -0.08 1.61 2.15 -1.23 -4.95 116.67 117.25 2ejm s ASP 34 Ca 0.00 -0.32 0.03 0.00 0.43 0.00 0.00 52.55 52.68 2ejm s ASP 34 Cb 0.00 -0.72 0.01 0.00 -0.30 0.00 0.00 42.92 41.91 2ejm s ASP 34 CO 0.00 -0.84 -0.16 -0.54 -0.17 0.00 0.00 175.17 173.46 2ejm s LYS 35 N -4.44 2.10 0.40 4.34 3.01 -1.26 -2.76 119.74 121.13 2ejm s LYS 35 Ca 0.55 -0.55 0.04 0.00 -1.01 0.00 0.00 55.97 55.00 2ejm s LYS 35 Cb -0.10 -1.67 -0.04 0.00 -1.01 0.00 0.00 37.83 35.01 2ejm s LYS 35 CO 0.34 0.07 0.07 0.14 0.51 0.00 0.00 175.35 176.48 2ejm s VAL 36 N 0.59 1.04 -0.03 3.17 -7.23 -1.08 -5.03 120.40 111.82 2ejm s VAL 36 Ca -0.15 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.05 2ejm s VAL 36 Cb -0.16 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2ejm s VAL 36 CO 0.05 0.00 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.18 2ejm s LYS 37 N -3.80 1.22 -0.34 4.82 -0.14 -1.26 -4.02 119.74 116.21 2ejm s LYS 37 Ca 0.25 -0.41 -0.45 0.00 -1.36 0.00 0.00 55.97 54.01 2ejm s LYS 37 Cb 0.05 -1.11 -0.20 0.00 -1.68 0.00 0.00 37.83 34.90 2ejm s LYS 37 CO 0.13 0.17 1.45 0.00 -0.76 0.00 0.00 175.35 176.34 2ejm n ALA 38 N 3.21 -1.97 -1.73 5.17 0.00 -1.26 -1.58 120.51 122.34 2ejm n ALA 38 Ca -0.18 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2ejm n ALA 38 Cb 0.54 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2ejm n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ejm n GLY 39 N 3.28 0.70 3.25 0.00 0.00 -0.96 -4.97 105.19 106.49 2ejm n GLY 39 Ca 0.28 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2ejm n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ejm s ASP 40 N -2.66 2.81 -0.42 1.61 1.11 -0.62 -4.86 116.67 113.65 2ejm s ASP 40 Ca 0.00 -0.45 -0.27 0.00 0.18 0.00 0.00 52.55 52.01 2ejm s ASP 40 Cb 0.00 -0.55 -0.05 0.00 1.07 0.00 0.00 42.92 43.38 2ejm s ASP 40 CO 0.00 0.26 2.21 -0.94 1.18 0.00 0.00 175.17 177.88 2ejm s SER 41 N -0.32 4.97 -0.03 0.27 1.04 -1.26 -1.80 113.70 116.57 2ejm s SER 41 Ca 0.02 1.19 -0.00 0.00 0.48 0.00 0.00 55.95 57.65 2ejm s SER 41 Cb -0.11 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 2ejm s SER 41 CO 0.01 -2.45 0.01 -0.07 0.98 0.00 0.00 173.24 171.72 2ejm h LEU 42 N 17.35 -0.00 -8.79 2.42 3.38 -1.70 -3.42 115.31 124.55 2ejm h LEU 42 Ca -0.30 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.28 2ejm h LEU 42 Cb 1.23 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2ejm h LEU 42 CO 1.10 0.14 -0.52 -0.04 0.09 0.00 0.00 178.44 179.21 2ejm s MET 43 N -1.17 1.58 -0.03 1.13 -1.94 -1.24 0.14 119.30 117.77 2ejm s MET 43 Ca -0.00 -1.88 0.05 0.00 -1.71 0.00 0.00 55.69 52.15 2ejm s MET 43 Cb 0.00 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 37.14 2ejm s MET 43 CO 0.00 -0.57 -0.19 0.08 -0.01 0.00 0.00 175.02 174.33 2ejm s VAL 44 N -3.67 1.56 0.28 -6.03 1.01 -0.32 -2.10 120.40 111.12 2ejm s VAL 44 Ca 0.40 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.65 2ejm s VAL 44 Cb 0.04 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2ejm s VAL 44 CO 0.22 0.44 -0.13 -0.04 0.00 0.00 0.00 175.10 175.59 2ejm s MET 45 N -0.23 1.60 -0.16 2.72 -1.94 -0.82 0.19 119.30 120.65 2ejm s MET 45 Ca 0.02 -1.77 -0.02 0.00 -1.71 0.00 0.00 55.69 52.21 2ejm s MET 45 Cb -0.10 -1.47 0.05 0.00 2.01 0.00 0.00 34.83 35.32 2ejm s MET 45 CO 0.01 0.19 0.02 0.42 -0.01 0.00 0.00 175.02 175.66 2ejm s ILE 46 N -2.75 0.48 -0.00 2.53 -1.09 0.14 -1.51 121.20 118.99 2ejm s ILE 46 Ca 0.29 -0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 58.36 2ejm s ILE 46 Cb -0.01 -0.88 -0.00 0.00 -1.58 0.00 0.00 42.46 40.00 2ejm s ILE 46 CO 0.13 -0.06 -0.01 0.00 -1.23 0.00 0.00 174.94 173.77 2ejm n ALA 47 N 5.08 1.88 -3.55 9.38 0.00 -1.22 -0.16 120.51 131.92 2ejm n ALA 47 Ca -0.08 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 2ejm n ALA 47 Cb 0.48 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 2ejm n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ejm n MET 48 N -2.61 2.72 -2.44 0.00 2.81 -1.26 -4.78 117.12 111.56 2ejm n MET 48 Ca -0.00 -4.54 -0.01 0.00 -1.81 0.00 0.00 57.70 51.33 2ejm n MET 48 Cb 0.02 -2.37 -0.00 0.00 -0.71 0.00 0.00 33.22 30.16 2ejm n MET 48 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ejm n LYS 49 N 1.74 -2.86 -4.27 0.03 4.76 -1.26 -4.85 118.16 111.45 2ejm n LYS 49 Ca 0.24 0.05 -0.19 0.00 -2.87 0.00 0.00 58.31 55.55 2ejm n LYS 49 Cb 0.37 -4.54 -0.13 0.00 -1.84 0.00 0.00 35.03 28.89 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2ejm s MET 50 N -4.89 0.85 -0.22 1.97 -1.94 -1.26 -5.13 119.30 108.68 2ejm s MET 50 Ca 0.00 -0.78 -0.16 0.00 -1.71 0.00 0.00 55.69 53.04 2ejm s MET 50 Cb 0.00 -0.84 -0.04 0.00 2.01 0.00 0.00 34.83 35.97 2ejm s MET 50 CO 0.00 0.20 0.41 -1.21 -0.01 0.00 0.00 175.02 174.41 2ejm s GLU 51 N -1.29 4.14 -0.34 2.03 2.02 -1.26 -3.46 118.70 120.55 2ejm s GLU 51 Ca -0.00 0.20 -0.06 0.00 0.02 0.00 0.00 54.97 55.13 2ejm s GLU 51 Cb -0.08 -3.57 0.04 0.00 0.10 0.00 0.00 34.13 30.62 2ejm s GLU 51 CO 0.01 -0.11 0.09 -1.01 0.02 0.00 0.00 175.26 174.26 2ejm s HIS 52 N 1.54 3.27 -0.78 1.61 3.76 -0.57 -4.95 115.29 119.17 2ejm s HIS 52 Ca 0.19 -1.52 -0.24 0.00 -0.15 0.00 0.00 55.06 53.34 2ejm s HIS 52 Cb -0.15 -2.29 0.05 0.00 1.11 0.00 0.00 32.58 31.31 2ejm s HIS 52 CO 0.08 -0.75 1.20 0.99 -0.85 0.00 0.00 174.74 175.41 2ejm s THR 53 N 1.37 4.03 -0.78 1.30 2.01 -1.26 -1.95 115.64 120.37 2ejm s THR 53 Ca -0.02 -0.20 -0.25 0.00 0.31 0.00 0.00 61.69 61.52 2ejm s THR 53 Cb -0.20 -4.86 -0.02 0.00 0.01 0.00 0.00 72.50 67.43 2ejm s THR 53 CO 0.02 -1.72 1.82 -0.63 -0.69 0.00 0.00 174.62 173.42 2ejm s ILE 54 N 4.82 3.47 0.30 1.82 1.09 -0.89 -4.93 121.20 126.87 2ejm s ILE 54 Ca 0.33 -0.10 -0.25 0.00 -1.10 0.00 0.00 60.65 59.52 2ejm s ILE 54 Cb -0.09 -4.13 -0.09 0.00 -1.06 0.00 0.00 42.46 37.08 2ejm s ILE 54 CO 0.07 -1.08 0.90 -0.54 -0.10 0.00 0.00 174.94 174.19 2ejm s LYS 55 N 6.76 4.55 0.33 2.79 1.02 -1.26 -2.18 119.74 131.76 2ejm s LYS 55 Ca 0.64 1.26 -0.29 0.00 0.02 0.00 0.00 55.97 57.60 2ejm s LYS 55 Cb -0.09 -2.86 -0.12 0.00 -0.52 0.00 0.00 37.83 34.25 2ejm s LYS 55 CO 0.09 0.32 1.50 0.45 -0.92 0.00 0.00 175.35 176.79 2ejm n SER 56 N 0.67 3.61 0.19 2.83 2.88 -0.75 -4.85 113.62 118.21 2ejm n SER 56 Ca 0.01 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 58.81 2ejm n SER 56 Cb 0.50 -1.58 0.29 0.00 -0.75 0.00 0.00 64.21 62.67 2ejm n SER 56 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ejm h PRO 57 N 3.67 0.00 -2.72 -1.46 0.13 -1.94 -2.56 132.00 127.13 2ejm h PRO 57 Ca -0.48 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 2ejm h PRO 57 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2ejm h PRO 57 CO 0.70 0.30 0.47 -1.59 -0.23 0.00 0.00 178.00 177.65 2ejm s LYS 58 N -3.39 1.67 0.49 0.86 -2.85 -1.26 -4.85 119.74 110.42 2ejm s LYS 58 Ca 0.02 -1.08 -0.19 0.00 -1.00 0.00 0.00 55.97 53.73 2ejm s LYS 58 Cb 0.09 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 36.24 2ejm s LYS 58 CO 0.68 -0.78 0.99 0.16 0.10 0.00 0.00 175.35 176.49 2ejm s ASP 59 N -3.28 6.59 0.00 0.03 1.47 -1.26 -4.10 116.67 116.12 2ejm s ASP 59 Ca 0.19 1.70 0.00 0.00 1.18 0.00 0.00 52.55 55.63 2ejm s ASP 59 Cb -0.04 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 40.01 2ejm s ASP 59 CO 0.08 -0.61 0.00 0.61 0.68 0.00 0.00 175.17 175.93 2ejm n GLY 60 N -0.95 1.06 3.15 2.12 0.00 -1.26 -4.95 105.19 104.36 2ejm n GLY 60 Ca 0.07 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2ejm n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ejm s THR 61 N -2.00 3.06 -0.32 2.61 2.01 -1.26 -2.65 115.64 117.09 2ejm s THR 61 Ca 0.00 -1.62 -0.43 0.00 0.31 0.00 0.00 61.69 59.95 2ejm s THR 61 Cb 0.00 -2.88 -0.18 0.00 0.01 0.00 0.00 72.50 69.44 2ejm s THR 61 CO 0.00 -0.30 1.56 0.52 -0.69 0.00 0.00 174.62 175.71 2ejm n VAL 62 N 4.60 0.10 -0.07 3.82 0.31 -1.11 -0.81 118.33 125.17 2ejm n VAL 62 Ca -0.09 -0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 2ejm n VAL 62 Cb 0.43 -0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 2ejm n VAL 62 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2ejm h LYS 63 N 5.45 0.00 -2.94 5.55 3.64 0.15 0.47 116.57 128.90 2ejm h LYS 63 Ca -0.46 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.78 2ejm h LYS 63 Cb 1.36 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.94 2ejm h LYS 63 CO 0.92 0.35 -0.31 0.21 -2.27 0.00 0.00 179.45 178.34 2ejm s LYS 64 N -2.06 0.45 0.44 1.90 2.36 -1.21 -4.10 119.74 117.51 2ejm s LYS 64 Ca -0.14 0.35 0.00 0.00 -2.55 0.00 0.00 55.97 53.63 2ejm s LYS 64 Cb 0.01 0.21 -0.01 0.00 -1.05 0.00 0.00 37.83 37.00 2ejm s LYS 64 CO 0.30 -0.07 0.66 0.08 1.55 0.00 0.00 175.35 177.86 2ejm s VAL 65 N -0.10 4.18 0.00 4.02 1.01 -1.26 -0.97 120.40 127.28 2ejm s VAL 65 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2ejm s VAL 65 Cb -0.03 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2ejm s VAL 65 CO 0.01 -0.38 0.00 0.49 0.00 0.00 0.00 175.10 175.22 2ejm n PHE 66 N -2.05 0.00 -4.93 5.22 3.72 -1.07 -4.93 117.46 113.43 2ejm n PHE 66 Ca 0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 2ejm n PHE 66 Cb 0.57 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.96 2ejm n PHE 66 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2ejm s TYR 67 N -1.98 1.76 0.00 1.38 2.02 -1.24 -5.08 117.35 114.20 2ejm s TYR 67 Ca 0.00 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2ejm s TYR 67 Cb 0.00 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 2ejm s TYR 67 CO 0.00 -0.07 0.00 0.54 -1.57 0.00 0.00 175.55 174.45 2ejm n ARG 68 N 2.74 1.81 -1.79 -0.62 1.74 -1.26 -4.99 116.66 114.28 2ejm n ARG 68 Ca -0.16 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.50 2ejm n ARG 68 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.95 2ejm n ARG 68 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ejm s GLU 69 N -1.88 4.15 -0.56 5.56 2.02 -1.26 -1.85 118.70 124.87 2ejm s GLU 69 Ca 0.00 2.54 -0.00 0.00 0.02 0.00 0.00 54.97 57.53 2ejm s GLU 69 Cb 0.00 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.16 2ejm s GLU 69 CO 0.00 -0.68 0.04 0.41 0.02 0.00 0.00 175.26 175.05 2ejm n GLY 70 N 3.31 0.13 3.87 -1.39 0.00 0.46 -5.00 105.19 106.56 2ejm n GLY 70 Ca 0.13 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 2ejm n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ejm s ALA 71 N -2.41 3.80 -0.33 4.61 0.00 -0.77 -4.86 121.76 121.79 2ejm s ALA 71 Ca 0.02 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2ejm s ALA 71 Cb -0.01 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2ejm s ALA 71 CO 0.02 0.65 0.15 -1.14 0.00 0.00 0.00 175.76 175.44 2ejm s GLN 72 N -2.85 3.03 0.29 0.00 0.74 -1.26 0.21 119.66 119.83 2ejm s GLN 72 Ca 0.33 -0.92 0.07 0.00 0.05 0.00 0.00 55.36 54.89 2ejm s GLN 72 Cb -0.12 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 2ejm s GLN 72 CO 0.26 -0.54 0.26 0.00 -0.55 0.00 0.00 175.29 174.71 2ejm s ALA 73 N 1.55 3.74 0.39 1.58 0.00 -1.04 -5.02 121.76 122.95 2ejm s ALA 73 Ca 0.03 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.54 2ejm s ALA 73 Cb -0.18 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 2ejm s ALA 73 CO 0.05 0.13 0.03 1.21 0.00 0.00 0.00 175.76 177.18 2ejm s ASN 74 N -3.93 4.01 -0.06 0.00 2.47 -1.26 -3.13 114.94 113.04 2ejm s ASN 74 Ca 0.37 -1.23 -0.30 0.00 0.42 0.00 0.00 52.86 52.13 2ejm s ASN 74 Cb -0.07 -0.43 -0.05 0.00 -1.45 0.00 0.00 41.25 39.25 2ejm s ASN 74 CO 0.26 -0.40 1.53 -0.60 -3.72 0.00 0.00 177.10 174.17 2ejm s ARG 75 N -3.74 4.21 -0.07 0.43 3.52 -1.26 -2.99 118.95 119.05 2ejm s ARG 75 Ca 0.36 2.05 -0.00 0.00 -0.13 0.00 0.00 55.73 58.01 2ejm s ARG 75 Cb 0.06 -3.84 -0.00 0.00 -1.56 0.00 0.00 34.95 29.61 2ejm s ARG 75 CO 0.19 -0.76 0.06 0.72 -0.81 0.00 0.00 175.30 174.69 2ejm n HIS 76 N 6.61 -0.13 -4.30 5.12 8.25 -1.10 -5.00 115.22 124.67 2ejm n HIS 76 Ca 0.16 0.05 -0.20 0.00 -0.26 0.00 0.00 57.72 57.47 2ejm n HIS 76 Cb 0.43 -2.25 -0.11 0.00 1.12 0.00 0.00 29.99 29.18 2ejm n HIS 76 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ejm s THR 77 N -3.02 1.63 0.05 1.59 -4.23 -1.16 -4.88 115.64 105.61 2ejm s THR 77 Ca 0.00 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.28 2ejm s THR 77 Cb -0.00 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 72.00 2ejm s THR 77 CO 0.04 -0.42 1.17 -2.16 -0.54 0.00 0.00 174.62 172.71 2ejm s PRO 78 N -2.97 4.44 -0.23 3.99 0.04 -1.26 -0.45 135.00 138.56 2ejm s PRO 78 Ca 0.15 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 2ejm s PRO 78 Cb -0.04 -3.38 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 2ejm s PRO 78 CO 0.05 -0.24 -0.35 1.28 0.04 0.00 0.00 177.00 177.78 2ejm n LEU 79 N 4.02 1.91 -3.95 -3.56 4.77 -1.16 -4.61 117.00 114.42 2ejm n LEU 79 Ca 0.09 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 2ejm n LEU 79 Cb 0.47 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 2ejm n LEU 79 CO 0.55 0.22 -0.32 0.68 -1.33 0.00 0.00 177.39 177.18 2ejm s VAL 80 N -2.65 0.09 -0.09 4.08 -7.23 -1.26 -2.59 120.40 110.75 2ejm s VAL 80 Ca -0.34 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 2ejm s VAL 80 Cb 0.10 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.74 2ejm s VAL 80 CO 0.45 -0.42 0.00 -0.70 -0.31 0.00 0.00 175.10 174.13 2ejm s GLU 81 N -1.27 3.04 0.19 4.82 2.12 -0.14 -3.83 118.70 123.63 2ejm s GLU 81 Ca -0.14 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 2ejm s GLU 81 Cb -0.08 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 2ejm s GLU 81 CO -0.00 0.67 0.38 -0.06 -0.54 0.00 0.00 175.26 175.71 2ejm s PHE 82 N -0.80 3.48 0.85 5.30 0.08 -1.26 0.17 117.98 125.80 2ejm s PHE 82 Ca 0.12 0.37 -0.12 0.00 0.12 0.00 0.00 56.93 57.43 2ejm s PHE 82 Cb -0.11 -1.87 0.10 0.00 -0.57 0.00 0.00 43.02 40.56 2ejm s PHE 82 CO 0.02 0.39 1.10 -1.21 -0.10 0.00 0.00 175.22 175.42 2ejm s GLU 83 N -3.20 1.68 -0.61 0.44 0.41 0.01 -4.47 118.70 112.96 2ejm s GLU 83 Ca 0.39 0.66 -0.27 0.00 -0.41 0.00 0.00 54.97 55.34 2ejm s GLU 83 Cb -0.11 -1.87 -0.01 0.00 -1.78 0.00 0.00 34.13 30.36 2ejm s GLU 83 CO 0.28 -1.91 1.72 -2.00 -0.49 0.00 0.00 175.26 172.86 2ejm s GLU 84 N -5.09 2.83 1.05 1.61 2.12 -1.26 -4.83 118.70 115.13 2ejm s GLU 84 Ca 0.62 0.50 -0.19 0.00 0.36 0.00 0.00 54.97 56.26 2ejm s GLU 84 Cb -0.16 -4.32 0.06 0.00 0.26 0.00 0.00 34.13 29.98 2ejm s GLU 84 CO 0.55 -2.51 -0.22 -0.85 -0.54 0.00 0.00 175.26 171.69 2ejm n GLU 85 N 9.12 -1.46 0.00 4.30 0.00 -1.26 -4.99 120.64 126.36 2ejm n GLU 85 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 57.16 56.91 2ejm n GLU 85 Cb 0.51 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.47 2ejm n GLU 85 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2ejm n GLU 86 N -1.01 0.00 -3.87 3.44 2.13 -1.26 -5.11 120.64 114.97 2ejm n GLU 86 Ca 0.01 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.72 2ejm n GLU 86 Cb 0.56 -0.47 -0.09 0.00 0.27 0.00 0.00 31.44 31.71 2ejm n GLU 86 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ejm s SER 87 N -4.60 0.03 -0.00 4.31 0.15 -1.26 -5.03 113.70 107.30 2ejm s SER 87 Ca 0.00 -0.25 0.09 0.00 0.70 0.00 0.00 55.95 56.49 2ejm s SER 87 Cb 0.00 0.23 -0.10 0.00 -1.71 0.00 0.00 66.02 64.43 2ejm s SER 87 CO 0.00 -0.42 0.33 -0.90 1.20 0.00 0.00 173.24 173.45 2ejm n ASP 88 N 1.24 0.99 -1.35 5.45 5.75 -1.26 -5.11 116.55 122.25 2ejm n ASP 88 Ca -0.22 -0.54 0.16 0.00 -0.01 0.00 0.00 54.79 54.18 2ejm n ASP 88 Cb 0.56 1.09 -0.07 0.00 -1.03 0.00 0.00 41.12 41.68 2ejm n ASP 88 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ejm n LYS 89 N -1.34 -2.86 -3.22 0.11 4.76 -1.26 -4.74 118.16 109.62 2ejm n LYS 89 Ca 0.01 2.22 -0.39 0.00 -2.87 0.00 0.00 58.31 57.28 2ejm n LYS 89 Cb 0.16 -3.45 -0.06 0.00 -1.84 0.00 0.00 35.03 29.84 2ejm n LYS 89 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2ejm s ARG 90 N -3.70 4.34 -0.03 1.97 3.52 -1.26 -5.06 118.95 118.72 2ejm s ARG 90 Ca 0.00 0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 56.14 2ejm s ARG 90 Cb 0.00 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2ejm s ARG 90 CO 0.00 0.06 0.14 -2.00 -0.81 0.00 0.00 175.30 172.69 2ejm s GLU 91 N 0.90 3.33 0.83 5.12 2.12 -1.26 -5.08 118.70 124.66 2ejm s GLU 91 Ca 0.29 -0.33 -0.14 0.00 0.36 0.00 0.00 54.97 55.15 2ejm s GLU 91 Cb -0.16 -3.04 0.02 0.00 0.26 0.00 0.00 34.13 31.21 2ejm s GLU 91 CO 0.12 0.69 0.64 0.43 -0.54 0.00 0.00 175.26 176.61 2ejm n SER 92 N 1.26 -1.01 -3.65 -1.70 7.64 -1.26 -5.01 113.62 109.89 2ejm n SER 92 Ca -0.14 0.49 -0.02 0.00 1.01 0.00 0.00 58.87 60.21 2ejm n SER 92 Cb 0.53 -1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 2ejm n SER 92 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ejm s GLU 93 N -3.42 0.03 0.50 1.43 -1.05 -1.26 -5.18 118.70 109.76 2ejm s GLU 93 Ca 0.64 -0.00 0.02 0.00 -0.15 0.00 0.00 54.97 55.48 2ejm s GLU 93 Cb -0.28 0.01 0.02 0.00 -0.44 0.00 0.00 34.13 33.44 2ejm s GLU 93 CO 0.60 -0.01 0.71 -1.12 0.95 0.00 0.00 175.26 176.39 2ejm s SER 94 N -1.47 5.46 0.06 0.83 0.01 -1.26 -5.11 113.70 112.23 2ejm s SER 94 Ca 0.10 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.34 2ejm s SER 94 Cb -0.01 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 2ejm s SER 94 CO -0.06 -0.97 0.17 -0.83 0.41 0.00 0.00 173.24 171.96 2ejm s GLY 95 N -4.37 2.14 0.52 3.44 0.00 -1.26 -5.11 107.32 102.68 2ejm s GLY 95 Ca 0.55 -0.89 -0.09 0.00 0.00 0.00 0.00 44.72 44.29 2ejm s GLY 95 CO 0.37 -0.87 0.58 -1.55 0.00 0.00 0.00 173.10 171.63 2ejm n PRO 96 N 0.36 -1.31 -4.45 2.90 -0.04 -1.26 -5.10 135.00 126.12 2ejm n PRO 96 Ca -0.06 -0.90 -0.23 0.00 -0.04 0.00 0.00 63.50 62.27 2ejm n PRO 96 Cb 0.51 -0.71 -0.10 0.00 -0.04 0.00 0.00 33.50 33.16 2ejm n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ejm s SER 97 N -3.11 3.23 1.00 3.54 0.15 -1.26 -5.12 113.70 112.13 2ejm s SER 97 Ca 0.35 -1.09 -0.19 0.00 0.70 0.00 0.00 55.95 55.72 2ejm s SER 97 Cb -0.02 -0.25 -0.12 0.00 -1.71 0.00 0.00 66.02 63.92 2ejm s SER 97 CO 0.25 -0.13 -0.78 -1.54 1.20 0.00 0.00 173.24 172.25 2ejm n SER 98 N -0.59 -4.67 0.00 5.45 3.41 -1.26 -5.37 113.62 110.59 2ejm n SER 98 Ca -0.06 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2ejm n SER 98 Cb 0.61 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49