#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ejm n SER 2 N 0.00 -2.33 -4.87 1.61 7.64 -1.26 -5.00 113.62 109.41 2ejm n SER 2 Ca 0.00 -0.30 -0.35 0.00 1.01 0.00 0.00 58.87 59.22 2ejm n SER 2 Cb 0.00 -1.16 -0.06 0.00 -1.01 0.00 0.00 64.21 61.98 2ejm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ejm s SER 3 N -2.38 6.26 0.00 6.43 0.15 -1.26 -4.79 113.70 118.11 2ejm s SER 3 Ca 0.66 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2ejm s SER 3 Cb -0.22 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2ejm s SER 3 CO 0.64 0.34 0.00 0.61 1.20 0.00 0.00 173.24 176.03 2ejm n GLY 4 N 1.53 0.40 1.41 9.45 0.00 -1.26 -5.05 105.19 111.67 2ejm n GLY 4 Ca -0.16 -0.07 0.17 0.00 0.00 0.00 0.00 46.02 45.97 2ejm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ejm n SER 5 N 0.00 -7.82 -3.63 1.61 7.64 -1.26 -5.03 113.62 105.13 2ejm n SER 5 Ca 0.00 1.37 -0.12 0.00 1.01 0.00 0.00 58.87 61.13 2ejm n SER 5 Cb 0.00 -4.83 -0.07 0.00 -1.01 0.00 0.00 64.21 58.30 2ejm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ejm s SER 6 N -7.20 -0.72 0.00 6.43 0.01 -1.26 -5.15 113.70 105.81 2ejm s SER 6 Ca 0.00 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2ejm s SER 6 Cb 0.00 1.35 0.00 0.00 0.21 0.00 0.00 66.02 67.58 2ejm s SER 6 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2ejm n GLY 7 N 2.88 -0.30 2.75 3.44 0.00 -1.26 -4.80 105.19 107.91 2ejm n GLY 7 Ca -0.15 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.31 2ejm n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2ejm n VAL 8 N 0.00 4.06 -4.41 1.61 3.14 -1.26 -4.99 118.33 116.48 2ejm n VAL 8 Ca 0.00 -5.66 -0.29 0.00 -2.96 0.00 0.00 64.34 55.43 2ejm n VAL 8 Cb 0.00 -1.73 -0.17 0.00 -1.06 0.00 0.00 33.84 30.88 2ejm n VAL 8 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2ejm s SER 9 N -2.42 2.51 -0.22 6.55 0.01 -1.26 -5.01 113.70 113.87 2ejm s SER 9 Ca 0.41 -0.45 -0.14 0.00 1.31 0.00 0.00 55.95 57.09 2ejm s SER 9 Cb 0.18 -1.12 -0.09 0.00 0.21 0.00 0.00 66.02 65.20 2ejm s SER 9 CO -0.06 0.01 -0.32 -0.24 0.41 0.00 0.00 173.24 173.04 2ejm n SER 10 N 4.28 1.80 0.19 2.44 2.88 -1.26 -4.66 113.62 119.29 2ejm n SER 10 Ca -0.19 0.31 -0.10 0.00 -1.33 0.00 0.00 58.87 57.56 2ejm n SER 10 Cb 0.51 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 63.19 2ejm n SER 10 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2ejm h GLN 11 N -0.90 -0.57 -3.12 -1.46 5.75 -2.05 -3.44 115.11 109.31 2ejm h GLN 11 Ca -0.42 0.04 -0.19 0.00 -0.15 0.00 0.00 58.65 57.94 2ejm h GLN 11 Cb 1.33 0.13 -0.28 0.00 1.07 0.00 0.00 27.48 29.73 2ejm h GLN 11 CO -0.25 -0.38 -0.47 -2.00 -2.65 0.00 0.00 178.83 173.07 2ejm s GLU 12 N -4.56 0.23 -0.14 1.69 2.12 -1.26 -5.07 118.70 111.71 2ejm s GLU 12 Ca -0.10 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.55 2ejm s GLU 12 Cb 0.02 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 2ejm s GLU 12 CO 0.32 -0.10 -0.13 1.15 -0.54 0.00 0.00 175.26 175.97 2ejm h THR 13 N 5.34 0.07 -2.11 -1.70 2.02 -1.87 -3.45 112.91 111.21 2ejm h THR 13 Ca -0.33 -1.08 -0.53 0.00 0.77 0.00 0.00 66.41 65.24 2ejm h THR 13 Cb 1.17 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2ejm h THR 13 CO 0.37 0.02 1.42 -1.10 0.37 0.00 0.00 175.52 176.60 2ejm s GLN 14 N -2.17 2.80 0.09 6.66 -0.21 -1.26 -4.67 119.66 120.90 2ejm s GLN 14 Ca -0.14 1.28 0.00 0.00 0.02 0.00 0.00 55.36 56.52 2ejm s GLN 14 Cb 0.02 -4.37 0.00 0.00 1.00 0.00 0.00 33.01 29.66 2ejm s GLN 14 CO 0.22 -2.49 0.00 0.41 -2.12 0.00 0.00 175.29 171.31 2ejm n GLY 15 N 5.69 -0.06 0.00 3.09 0.00 -1.26 -5.05 105.19 107.61 2ejm n GLY 15 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 2.96 -1.01 3.60 -0.02 0.00 -1.26 -3.05 105.19 106.41 2ejm n GLY 16 Ca 0.00 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.65 3.57 0.70 1.61 0.04 -1.26 -4.91 135.00 134.11 2ejm s PRO 17 Ca 0.00 0.93 -0.14 0.00 0.04 0.00 0.00 61.00 61.83 2ejm s PRO 17 Cb 0.00 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.54 2ejm s PRO 17 CO 0.00 -1.57 1.12 -0.51 0.04 0.00 0.00 177.00 176.08 2ejm s LEU 18 N 5.44 3.29 0.37 -3.56 1.43 -1.26 -2.76 118.68 121.63 2ejm s LEU 18 Ca 0.61 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 55.46 2ejm s LEU 18 Cb -0.14 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.42 2ejm s LEU 18 CO 0.33 -1.86 1.52 0.00 0.23 0.00 0.00 176.35 176.56 2ejm s ALA 19 N -2.39 3.61 0.15 4.21 0.00 -0.42 -4.89 121.76 122.04 2ejm s ALA 19 Ca 0.67 1.60 0.13 0.00 0.00 0.00 0.00 51.96 54.35 2ejm s ALA 19 Cb -0.21 -3.63 0.28 0.00 0.00 0.00 0.00 23.12 19.56 2ejm s ALA 19 CO 0.45 -1.07 1.55 -1.00 0.00 0.00 0.00 175.76 175.69 2ejm h PRO 20 N 3.29 0.00 -1.68 0.00 0.13 -1.91 -3.33 132.00 128.49 2ejm h PRO 20 Ca -0.50 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.74 2ejm h PRO 20 Cb 1.24 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 2ejm h PRO 20 CO 0.67 0.62 0.59 1.41 -0.23 0.00 0.00 178.00 181.05 2ejm s MET 21 N -3.32 0.58 -0.39 0.86 -2.45 -1.26 -4.95 119.30 108.37 2ejm s MET 21 Ca 0.00 0.01 -0.28 0.00 -1.25 0.00 0.00 55.69 54.17 2ejm s MET 21 Cb 0.11 0.27 -0.07 0.00 1.25 0.00 0.00 34.83 36.39 2ejm s MET 21 CO 0.75 -0.21 2.33 2.41 1.05 0.00 0.00 175.02 181.35 2ejm n THR 22 N 0.41 0.12 -3.34 10.11 -1.04 -1.26 -4.45 114.28 114.84 2ejm n THR 22 Ca -0.08 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 2ejm n THR 22 Cb 0.59 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 2ejm n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ejm n GLY 23 N 6.01 2.89 3.40 3.41 0.00 -1.19 -4.65 105.19 115.06 2ejm n GLY 23 Ca 0.36 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.57 2.41 -0.08 2.61 2.01 0.21 -2.49 115.64 117.75 2ejm s THR 24 Ca 0.00 -1.44 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 2ejm s THR 24 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 2ejm s THR 24 CO 0.00 0.26 1.31 -0.63 -0.69 0.00 0.00 174.62 174.88 2ejm s ILE 25 N -0.93 4.06 -0.27 1.82 -1.09 0.50 0.16 121.20 125.45 2ejm s ILE 25 Ca 0.14 1.37 -0.15 0.00 -2.23 0.00 0.00 60.65 59.77 2ejm s ILE 25 Cb -0.10 -3.88 -0.12 0.00 -1.58 0.00 0.00 42.46 36.78 2ejm s ILE 25 CO 0.05 -0.05 -0.33 1.21 -1.23 0.00 0.00 174.94 174.58 2ejm n GLU 26 N 5.89 0.58 -4.11 2.79 4.07 0.42 0.42 120.64 130.70 2ejm n GLU 26 Ca 0.13 0.27 -0.15 0.00 -0.06 0.00 0.00 57.16 57.35 2ejm n GLU 26 Cb 0.45 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 30.21 2ejm n GLU 26 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ejm s LYS 27 N -2.54 0.61 -0.31 5.31 -0.14 -0.93 -4.56 119.74 117.18 2ejm s LYS 27 Ca -0.37 -0.76 -0.00 0.00 -1.36 0.00 0.00 55.97 53.48 2ejm s LYS 27 Cb 0.13 -0.46 0.10 0.00 -1.68 0.00 0.00 37.83 35.92 2ejm s LYS 27 CO 0.49 0.10 0.09 0.08 -0.76 0.00 0.00 175.35 175.34 2ejm s VAL 28 N -1.22 1.10 -0.83 3.17 1.01 -1.26 0.11 120.40 122.47 2ejm s VAL 28 Ca -0.07 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.35 2ejm s VAL 28 Cb -0.09 -1.83 0.32 0.00 0.00 0.00 0.00 36.38 34.78 2ejm s VAL 28 CO 0.01 -0.66 2.08 0.49 0.00 0.00 0.00 175.10 177.02 2ejm n PHE 29 N 4.75 2.86 -3.85 5.22 3.72 0.26 -4.92 117.46 125.50 2ejm n PHE 29 Ca -0.01 -2.30 -0.09 0.00 -0.05 0.00 0.00 57.45 55.00 2ejm n PHE 29 Cb 0.42 -1.21 -0.02 0.00 -0.94 0.00 0.00 39.48 37.73 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 -0.39 0.00 -3.46 -4.37 0.24 -1.21 -4.61 118.33 104.54 2ejm n VAL 30 Ca 0.53 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2ejm n VAL 30 Cb 0.26 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 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 -0.35 0.00 -3.92 7.34 -0.00 -1.26 -5.12 118.16 114.85 2ejm n LYS 31 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 2ejm n LYS 31 Cb 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.34 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 3.98 -2.02 0.58 0.00 -1.26 -4.22 121.76 117.82 2ejm s ALA 32 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2ejm s ALA 32 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2ejm s ALA 32 CO 0.00 0.80 0.00 0.41 0.00 0.00 0.00 175.76 176.97 2ejm n GLY 33 N 0.51 1.61 3.98 0.00 0.00 0.50 -4.96 105.19 106.83 2ejm n GLY 33 Ca -0.07 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.72 5.59 -0.09 1.61 2.15 -1.23 -4.90 116.67 117.09 2ejm s ASP 34 Ca 0.00 -0.07 0.02 0.00 0.43 0.00 0.00 52.55 52.94 2ejm s ASP 34 Cb 0.00 -1.02 0.01 0.00 -0.30 0.00 0.00 42.92 41.61 2ejm s ASP 34 CO 0.00 -0.85 -0.15 -0.54 -0.17 0.00 0.00 175.17 173.46 2ejm s LYS 35 N -4.53 2.11 0.20 4.34 3.01 -1.26 -2.00 119.74 121.60 2ejm s LYS 35 Ca 0.53 -0.54 0.09 0.00 -1.01 0.00 0.00 55.97 55.04 2ejm s LYS 35 Cb -0.10 -1.74 -0.05 0.00 -1.01 0.00 0.00 37.83 34.93 2ejm s LYS 35 CO 0.36 0.00 -0.17 0.14 0.51 0.00 0.00 175.35 176.20 2ejm s VAL 36 N 0.78 1.88 -0.11 3.17 -7.23 -1.11 -5.04 120.40 112.74 2ejm s VAL 36 Ca -0.11 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 57.89 2ejm s VAL 36 Cb -0.16 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2ejm s VAL 36 CO 0.02 -0.48 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.75 2ejm s LYS 37 N -3.36 3.23 -0.49 4.82 3.01 -1.26 -3.48 119.74 122.21 2ejm s LYS 37 Ca 0.22 -0.51 -0.44 0.00 -1.01 0.00 0.00 55.97 54.23 2ejm s LYS 37 Cb -0.03 -2.78 -0.19 0.00 -1.01 0.00 0.00 37.83 33.82 2ejm s LYS 37 CO 0.08 0.47 1.95 0.00 0.51 0.00 0.00 175.35 178.36 2ejm n ALA 38 N 2.82 -0.27 -0.39 5.17 0.00 -1.25 -1.64 120.51 124.95 2ejm n ALA 38 Ca -0.18 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2ejm n ALA 38 Cb 0.53 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 6.33 0.69 3.43 0.00 0.00 -1.18 -4.96 105.19 109.50 2ejm n GLY 39 Ca 0.47 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.68 3.75 -0.84 1.61 1.11 -0.65 -4.81 116.67 115.16 2ejm s ASP 40 Ca 0.00 -0.31 -0.25 0.00 0.18 0.00 0.00 52.55 52.17 2ejm s ASP 40 Cb 0.00 -0.67 -0.06 0.00 1.07 0.00 0.00 42.92 43.25 2ejm s ASP 40 CO 0.00 0.32 2.04 -0.94 1.18 0.00 0.00 175.17 177.77 2ejm s SER 41 N -0.88 4.89 0.00 0.27 1.04 -1.26 -1.68 113.70 116.08 2ejm s SER 41 Ca 0.12 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2ejm s SER 41 Cb -0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2ejm s SER 41 CO 0.01 -2.94 0.77 0.18 0.98 0.00 0.00 173.24 172.24 2ejm n LEU 42 N 14.85 0.07 -4.25 2.42 4.77 -0.58 -4.49 117.00 129.79 2ejm n LEU 42 Ca 0.40 0.85 -0.17 0.00 -0.03 0.00 0.00 56.01 57.05 2ejm n LEU 42 Cb 0.47 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2ejm n LEU 42 CO 0.60 -0.44 -0.14 -0.04 -1.33 0.00 0.00 177.39 176.04 2ejm s MET 43 N -2.42 1.59 -0.06 3.23 -1.94 -1.25 0.91 119.30 119.37 2ejm s MET 43 Ca 0.00 -1.89 0.04 0.00 -1.71 0.00 0.00 55.69 52.13 2ejm s MET 43 Cb 0.00 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.16 2ejm s MET 43 CO 0.00 -0.58 -0.17 0.08 -0.01 0.00 0.00 175.02 174.35 2ejm s VAL 44 N -3.65 1.44 0.40 -6.03 1.01 0.30 -1.85 120.40 112.02 2ejm s VAL 44 Ca 0.40 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2ejm s VAL 44 Cb 0.04 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 2ejm s VAL 44 CO 0.23 0.42 0.13 -0.04 0.00 0.00 0.00 175.10 175.84 2ejm s MET 45 N 0.30 2.18 -0.07 2.72 -1.94 -0.85 0.16 119.30 121.80 2ejm s MET 45 Ca -0.10 -1.84 -0.01 0.00 -1.71 0.00 0.00 55.69 52.03 2ejm s MET 45 Cb -0.14 -1.95 0.03 0.00 2.01 0.00 0.00 34.83 34.78 2ejm s MET 45 CO 0.04 -0.05 -0.02 0.42 -0.01 0.00 0.00 175.02 175.40 2ejm s ILE 46 N -2.59 0.49 0.00 2.53 -1.09 0.42 -2.02 121.20 118.95 2ejm s ILE 46 Ca 0.39 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2ejm s ILE 46 Cb 0.03 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.31 2ejm s ILE 46 CO 0.22 0.27 0.00 0.00 -1.23 0.00 0.00 174.94 174.19 2ejm n ALA 47 N 4.89 2.68 -2.81 9.38 0.00 -1.24 0.68 120.51 134.09 2ejm n ALA 47 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 2ejm n ALA 47 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.02 4.83 -2.26 0.00 2.81 -1.26 -4.75 117.12 114.47 2ejm n MET 48 Ca 0.00 -4.66 -0.07 0.00 -1.81 0.00 0.00 57.70 51.15 2ejm n MET 48 Cb 0.00 -2.45 -0.01 0.00 -0.71 0.00 0.00 33.22 30.06 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 0.33 -2.31 -4.40 0.03 4.76 -1.26 -4.89 118.16 110.42 2ejm n LYS 49 Ca 0.39 0.37 -0.22 0.00 -2.87 0.00 0.00 58.31 55.98 2ejm n LYS 49 Cb 0.30 -4.86 -0.13 0.00 -1.84 0.00 0.00 35.03 28.50 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 -4.62 1.11 -0.35 1.97 -1.94 -1.26 -5.11 119.30 109.09 2ejm s MET 50 Ca 0.00 -0.94 -0.21 0.00 -1.71 0.00 0.00 55.69 52.83 2ejm s MET 50 Cb 0.00 -1.21 0.00 0.00 2.01 0.00 0.00 34.83 35.63 2ejm s MET 50 CO 0.00 0.30 0.66 -1.21 -0.01 0.00 0.00 175.02 174.75 2ejm s GLU 51 N -1.42 3.71 -0.27 2.03 8.01 -1.26 -3.71 118.70 125.78 2ejm s GLU 51 Ca 0.04 0.12 -0.12 0.00 0.01 0.00 0.00 54.97 55.02 2ejm s GLU 51 Cb -0.09 -3.80 -0.05 0.00 -4.31 0.00 0.00 34.13 25.88 2ejm s GLU 51 CO 0.02 -0.74 0.23 -1.01 0.01 0.00 0.00 175.26 173.78 2ejm s HIS 52 N 2.75 3.23 -0.63 1.61 3.76 -0.86 -4.95 115.29 120.21 2ejm s HIS 52 Ca 0.25 0.20 -0.21 0.00 -0.15 0.00 0.00 55.06 55.15 2ejm s HIS 52 Cb -0.14 -2.42 0.08 0.00 1.11 0.00 0.00 32.58 31.21 2ejm s HIS 52 CO 0.15 -0.16 0.87 0.99 -0.85 0.00 0.00 174.74 175.74 2ejm s THR 53 N 1.77 4.50 -0.64 1.30 2.01 -1.26 -2.00 115.64 121.31 2ejm s THR 53 Ca 0.09 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.29 2ejm s THR 53 Cb -0.16 -4.61 -0.01 0.00 0.01 0.00 0.00 72.50 67.73 2ejm s THR 53 CO 0.10 -1.32 1.76 -0.63 -0.69 0.00 0.00 174.62 173.84 2ejm s ILE 54 N 3.59 3.42 0.15 1.82 1.09 -0.77 -4.96 121.20 125.54 2ejm s ILE 54 Ca 0.19 0.22 -0.28 0.00 -1.10 0.00 0.00 60.65 59.68 2ejm s ILE 54 Cb -0.19 -4.11 -0.07 0.00 -1.06 0.00 0.00 42.46 37.02 2ejm s ILE 54 CO 0.09 -1.08 0.87 -0.54 -0.10 0.00 0.00 174.94 174.18 2ejm s LYS 55 N 6.81 4.67 0.44 2.79 -0.14 -1.26 -1.53 119.74 131.52 2ejm s LYS 55 Ca 0.62 1.31 -0.25 0.00 -1.36 0.00 0.00 55.97 56.28 2ejm s LYS 55 Cb -0.12 -3.31 -0.09 0.00 -1.68 0.00 0.00 37.83 32.63 2ejm s LYS 55 CO 0.19 0.41 1.29 0.45 -0.76 0.00 0.00 175.35 176.93 2ejm n SER 56 N 2.09 2.60 0.09 2.83 2.88 -0.67 -4.86 113.62 118.58 2ejm n SER 56 Ca -0.02 1.09 -0.06 0.00 -1.33 0.00 0.00 58.87 58.55 2ejm n SER 56 Cb 0.49 -1.52 0.04 0.00 -0.75 0.00 0.00 64.21 62.47 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 1.99 0.13 0.00 -1.46 0.13 -1.94 -3.13 132.00 127.71 2ejm h PRO 57 Ca -0.49 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2ejm h PRO 57 Cb 1.29 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2ejm h PRO 57 CO 0.59 0.84 0.12 0.36 -0.23 0.00 0.00 178.00 179.69 2ejm n LYS 58 N -3.69 0.39 -3.59 0.86 2.85 -1.26 -4.86 118.16 108.87 2ejm n LYS 58 Ca -0.02 -0.78 -0.37 0.00 -1.05 0.00 0.00 58.31 56.09 2ejm n LYS 58 Cb 0.75 0.98 -0.06 0.00 -0.65 0.00 0.00 35.03 36.04 2ejm n LYS 58 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2ejm s ASP 59 N -1.78 6.64 0.00 -5.58 -4.77 -1.26 -3.93 116.67 105.99 2ejm s ASP 59 Ca 0.06 0.76 0.00 0.00 -3.30 0.00 0.00 52.55 50.07 2ejm s ASP 59 Cb -0.02 -2.20 0.00 0.00 -1.09 0.00 0.00 42.92 39.62 2ejm s ASP 59 CO 0.04 0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.81 2ejm n GLY 60 N 2.20 -1.29 3.44 2.12 0.00 -1.23 -4.95 105.19 105.48 2ejm n GLY 60 Ca -0.15 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.33 4.00 -0.36 2.61 2.01 -1.26 -2.74 115.64 117.56 2ejm s THR 61 Ca 0.00 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.43 2ejm s THR 61 Cb 0.00 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 2ejm s THR 61 CO 0.00 0.41 1.76 -0.69 -0.69 0.00 0.00 174.62 175.40 2ejm s VAL 62 N 1.19 3.52 0.06 3.82 1.01 -0.85 0.73 120.40 129.88 2ejm s VAL 62 Ca 0.03 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 2ejm s VAL 62 Cb -0.14 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2ejm s VAL 62 CO 0.02 -0.48 1.44 0.50 0.00 0.00 0.00 175.10 176.57 2ejm h LYS 63 N 12.75 0.41 -2.92 2.72 3.64 -0.49 1.48 116.57 134.16 2ejm h LYS 63 Ca -0.32 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 2ejm h LYS 63 Cb 1.16 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2ejm h LYS 63 CO 1.05 0.68 0.32 -1.59 -2.27 0.00 0.00 179.45 177.64 2ejm s LYS 64 N -4.65 2.04 0.44 1.90 -2.85 -0.93 -4.05 119.74 111.65 2ejm s LYS 64 Ca -0.14 -1.30 0.06 0.00 -1.00 0.00 0.00 55.97 53.59 2ejm s LYS 64 Cb 0.06 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.38 2ejm s LYS 64 CO 0.75 -0.95 0.14 0.08 0.10 0.00 0.00 175.35 175.47 2ejm s VAL 65 N -2.43 1.97 0.00 1.79 1.01 -1.26 1.00 120.40 122.47 2ejm s VAL 65 Ca 0.16 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2ejm s VAL 65 Cb -0.05 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2ejm s VAL 65 CO 0.10 0.00 0.00 0.49 0.00 0.00 0.00 175.10 175.69 2ejm n PHE 66 N -1.25 0.00 -4.27 5.22 3.72 -0.62 -4.73 117.46 115.52 2ejm n PHE 66 Ca -0.05 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.14 2ejm n PHE 66 Cb 0.65 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.88 1.60 0.30 1.38 2.02 -1.20 -5.04 117.35 114.52 2ejm s TYR 67 Ca 0.00 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2ejm s TYR 67 Cb 0.00 -0.84 -0.00 0.00 -0.40 0.00 0.00 41.96 40.72 2ejm s TYR 67 CO 0.00 0.21 0.03 0.54 -1.57 0.00 0.00 175.55 174.76 2ejm n ARG 68 N 0.63 1.09 -1.62 -0.62 1.74 -1.26 -4.98 116.66 111.64 2ejm n ARG 68 Ca -0.16 -2.28 -0.40 0.00 -0.77 0.00 0.00 57.85 54.25 2ejm n ARG 68 Cb 0.56 0.78 0.03 0.00 -1.02 0.00 0.00 32.46 32.81 2ejm n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ejm n GLU 69 N -0.73 1.18 -3.77 5.56 1.02 -1.26 -2.27 120.64 120.35 2ejm n GLU 69 Ca -0.11 0.43 -0.25 0.00 -0.02 0.00 0.00 57.16 57.22 2ejm n GLU 69 Cb 0.40 -2.12 0.04 0.00 -0.02 0.00 0.00 31.44 29.73 2ejm n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ejm n GLY 70 N 1.22 -0.40 3.40 0.62 0.00 0.17 -4.95 105.19 105.23 2ejm n GLY 70 Ca 0.11 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.47 2.36 -0.10 4.61 0.00 -0.96 -4.87 121.76 119.33 2ejm s ALA 71 Ca 0.34 -1.63 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 2ejm s ALA 71 Cb -0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2ejm s ALA 71 CO 0.81 0.32 -0.07 -1.14 0.00 0.00 0.00 175.76 175.69 2ejm s GLN 72 N -2.88 3.04 -0.06 0.00 0.74 -1.26 0.19 119.66 119.43 2ejm s GLN 72 Ca 0.20 -0.55 -0.02 0.00 0.05 0.00 0.00 55.36 55.04 2ejm s GLN 72 Cb -0.06 -2.68 0.04 0.00 1.10 0.00 0.00 33.01 31.41 2ejm s GLN 72 CO 0.09 0.52 0.11 0.00 -0.55 0.00 0.00 175.29 175.47 2ejm s ALA 73 N -0.41 -0.13 0.75 1.58 0.00 -1.04 -4.99 121.76 117.52 2ejm s ALA 73 Ca 0.06 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 2ejm s ALA 73 Cb -0.12 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.57 2ejm s ALA 73 CO 0.02 -0.23 1.10 -0.80 0.00 0.00 0.00 175.76 175.86 2ejm s ASN 74 N 1.38 4.61 -0.80 0.00 0.01 -1.26 -3.19 114.94 115.68 2ejm s ASN 74 Ca -0.06 1.89 -0.06 0.00 -0.71 0.00 0.00 52.86 53.92 2ejm s ASN 74 Cb -0.12 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 2ejm s ASN 74 CO -0.05 -1.97 1.97 -1.14 -1.51 0.00 0.00 177.10 174.40 2ejm n ARG 75 N -3.23 1.80 0.00 -0.60 0.63 -1.26 -1.89 116.66 112.11 2ejm n ARG 75 Ca 0.10 -1.37 0.00 0.00 -0.92 0.00 0.00 57.85 55.66 2ejm n ARG 75 Cb 0.53 -2.43 0.00 0.00 0.45 0.00 0.00 32.46 31.01 2ejm n ARG 75 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2ejm n HIS 76 N 4.52 0.00 -1.63 -0.14 -0.00 -1.25 -4.81 115.22 111.90 2ejm n HIS 76 Ca 0.40 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.21 2ejm n HIS 76 Cb 0.13 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.08 2ejm n HIS 76 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 2ejm n THR 77 N -0.74 4.42 -2.28 3.57 -2.24 -0.79 -4.32 114.28 111.90 2ejm n THR 77 Ca 0.00 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 2ejm n THR 77 Cb 0.00 -1.40 -0.01 0.00 -2.10 0.00 0.00 70.33 66.82 2ejm n THR 77 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ejm s PRO 78 N -3.36 3.57 -0.16 -0.78 0.04 -1.26 -1.29 135.00 131.75 2ejm s PRO 78 Ca 0.81 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 2ejm s PRO 78 Cb -0.37 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 2ejm s PRO 78 CO 0.42 -0.61 -0.25 1.28 0.04 0.00 0.00 177.00 177.88 2ejm n LEU 79 N -1.56 1.49 -4.10 -3.56 4.77 -1.11 -4.54 117.00 108.40 2ejm n LEU 79 Ca 0.09 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 2ejm n LEU 79 Cb 0.53 -0.59 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 2ejm n LEU 79 CO 0.44 0.09 -0.47 0.68 -1.33 0.00 0.00 177.39 176.80 2ejm s VAL 80 N -2.46 1.04 -0.22 4.08 -7.23 -1.26 -1.59 120.40 112.75 2ejm s VAL 80 Ca -0.25 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.17 2ejm s VAL 80 Cb 0.08 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2ejm s VAL 80 CO 0.33 0.25 0.32 -0.70 -0.31 0.00 0.00 175.10 174.99 2ejm s GLU 81 N -0.41 4.12 0.32 4.82 2.12 0.28 -3.99 118.70 125.96 2ejm s GLU 81 Ca 0.05 0.03 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 2ejm s GLU 81 Cb -0.05 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 2ejm s GLU 81 CO -0.00 -0.04 0.60 -0.06 -0.54 0.00 0.00 175.26 175.22 2ejm s PHE 82 N 1.34 3.48 0.81 5.30 0.08 -1.17 0.17 117.98 127.98 2ejm s PHE 82 Ca 0.15 0.72 -0.11 0.00 0.12 0.00 0.00 56.93 57.80 2ejm s PHE 82 Cb -0.14 -2.17 0.08 0.00 -0.57 0.00 0.00 43.02 40.21 2ejm s PHE 82 CO 0.07 0.10 1.09 -1.21 -0.10 0.00 0.00 175.22 175.17 2ejm s GLU 83 N -3.67 1.95 0.44 0.44 0.41 0.22 -4.43 118.70 114.06 2ejm s GLU 83 Ca 0.45 1.02 -0.26 0.00 -0.41 0.00 0.00 54.97 55.78 2ejm s GLU 83 Cb -0.11 -1.87 -0.08 0.00 -1.78 0.00 0.00 34.13 30.29 2ejm s GLU 83 CO 0.31 -1.82 1.42 -1.21 -0.49 0.00 0.00 175.26 173.47 2ejm s GLU 84 N -4.93 3.75 0.55 1.61 2.02 -1.26 -4.88 118.70 115.56 2ejm s GLU 84 Ca 0.62 2.40 -0.17 0.00 0.02 0.00 0.00 54.97 57.84 2ejm s GLU 84 Cb -0.17 -2.69 -0.06 0.00 0.10 0.00 0.00 34.13 31.31 2ejm s GLU 84 CO 0.56 -0.76 1.04 -1.83 0.02 0.00 0.00 175.26 174.29 2ejm s GLU 85 N -2.40 3.56 -0.21 1.61 -1.05 -1.26 -5.04 118.70 113.91 2ejm s GLU 85 Ca 0.60 1.22 -0.06 0.00 -0.15 0.00 0.00 54.97 56.57 2ejm s GLU 85 Cb -0.43 -2.07 -0.03 0.00 -0.44 0.00 0.00 34.13 31.16 2ejm s GLU 85 CO 0.56 -0.61 0.04 -2.00 0.95 0.00 0.00 175.26 174.20 2ejm s GLU 86 N -3.81 3.74 -0.26 -4.83 2.12 -1.26 -5.04 118.70 109.36 2ejm s GLU 86 Ca 0.64 -0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 2ejm s GLU 86 Cb -0.15 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 2ejm s GLU 86 CO 0.31 0.02 2.23 0.43 -0.54 0.00 0.00 175.26 177.72 2ejm n SER 87 N 4.26 3.00 -3.13 -1.70 7.64 -1.26 -4.85 113.62 117.57 2ejm n SER 87 Ca -0.17 0.19 0.03 0.00 1.01 0.00 0.00 58.87 59.93 2ejm n SER 87 Cb 0.52 -1.51 -0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2ejm n SER 87 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ejm s ASP 88 N 8.40 -1.32 0.49 6.43 1.01 -1.26 -5.13 116.67 125.30 2ejm s ASP 88 Ca 1.03 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.98 2ejm s ASP 88 Cb -0.42 1.73 0.00 0.00 1.01 0.00 0.00 42.92 45.24 2ejm s ASP 88 CO 0.37 -0.19 0.00 0.29 0.21 0.00 0.00 175.17 175.85 2ejm n LYS 89 N 4.73 -2.95 -3.66 8.23 5.02 -1.26 -5.08 118.16 123.18 2ejm n LYS 89 Ca 0.08 2.36 -0.01 0.00 -2.02 0.00 0.00 58.31 58.73 2ejm n LYS 89 Cb 0.57 -3.18 -0.01 0.00 -0.02 0.00 0.00 35.03 32.39 2ejm n LYS 89 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ejm s ARG 90 N -4.51 0.66 -0.04 1.97 0.52 -1.26 -5.15 118.95 111.13 2ejm s ARG 90 Ca 0.00 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 2ejm s ARG 90 Cb 0.00 0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.72 2ejm s ARG 90 CO 0.00 -0.30 0.25 -1.21 0.02 0.00 0.00 175.30 174.06 2ejm s GLU 91 N -2.72 0.49 -0.01 3.54 2.02 -1.26 -5.17 118.70 115.59 2ejm s GLU 91 Ca 0.13 -0.03 -0.24 0.00 0.02 0.00 0.00 54.97 54.85 2ejm s GLU 91 Cb 0.02 0.22 0.05 0.00 0.10 0.00 0.00 34.13 34.52 2ejm s GLU 91 CO -0.02 -0.11 0.53 -1.12 0.02 0.00 0.00 175.26 174.56 2ejm s SER 92 N -0.79 -0.46 -0.09 -0.19 0.01 -1.26 -5.12 113.70 105.79 2ejm s SER 92 Ca -0.09 0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.56 2ejm s SER 92 Cb -0.05 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 2ejm s SER 92 CO 0.02 -0.60 -0.17 -0.70 0.41 0.00 0.00 173.24 172.20 2ejm s GLU 93 N -1.65 2.99 0.33 12.44 2.12 -1.26 -5.13 118.70 128.54 2ejm s GLU 93 Ca -0.10 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.56 2ejm s GLU 93 Cb -0.02 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 2ejm s GLU 93 CO 0.05 0.34 0.30 0.45 -0.54 0.00 0.00 175.26 175.86 2ejm s SER 94 N -0.01 5.36 -0.35 -1.70 0.15 -1.26 -5.11 113.70 110.78 2ejm s SER 94 Ca -0.05 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.21 2ejm s SER 94 Cb -0.14 -1.02 0.18 0.00 -1.71 0.00 0.00 66.02 63.33 2ejm s SER 94 CO 0.04 -0.34 0.57 -0.83 1.20 0.00 0.00 173.24 173.88 2ejm s GLY 95 N -4.00 -1.09 0.67 9.45 0.00 -1.26 -5.16 107.32 105.94 2ejm s GLY 95 Ca 0.41 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 2ejm s GLY 95 CO 0.27 3.53 1.06 2.56 0.00 0.00 0.00 173.10 180.52 2ejm s PRO 96 N 2.23 3.04 0.32 2.90 0.04 -1.26 -5.07 135.00 137.20 2ejm s PRO 96 Ca 0.13 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2ejm s PRO 96 Cb -0.08 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2ejm s PRO 96 CO -0.16 -1.02 0.73 0.45 0.04 0.00 0.00 177.00 177.04 2ejm s SER 97 N -3.59 -0.12 0.35 6.66 0.15 -1.26 -5.18 113.70 110.71 2ejm s SER 97 Ca 0.59 -0.86 0.07 0.00 0.70 0.00 0.00 55.95 56.45 2ejm s SER 97 Cb -0.14 0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2ejm s SER 97 CO 0.51 -1.48 0.42 -0.55 1.20 0.00 0.00 173.24 173.34 2ejm s SER 98 N -2.99 5.71 0.00 5.45 0.15 -1.26 -5.37 113.70 115.38 2ejm s SER 98 Ca 0.14 -0.32 0.26 0.00 0.70 0.00 0.00 55.95 56.72 2ejm s SER 98 Cb -0.05 -1.08 0.53 0.00 -1.71 0.00 0.00 66.02 63.71 2ejm s SER 98 CO 0.09 -0.45 1.45 0.61 1.20 0.00 0.00 173.24 176.15