#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 -0.63 0.12 1.61 1.04 -1.26 -5.18 113.70 109.40 2ejm s SER 2 Ca 0.00 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.66 2ejm s SER 2 Cb 0.00 1.21 -0.04 0.00 0.10 0.00 0.00 66.02 67.29 2ejm s SER 2 CO 0.00 -0.20 -0.09 -0.55 0.98 0.00 0.00 173.24 173.38 2ejm s SER 3 N 0.43 1.49 0.00 7.02 0.15 -1.26 -5.11 113.70 116.42 2ejm s SER 3 Ca 0.00 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2ejm s SER 3 Cb -0.05 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2ejm s SER 3 CO -0.04 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2ejm n GLY 4 N -0.01 2.90 3.15 9.45 0.00 -1.26 -5.13 105.19 114.30 2ejm n GLY 4 Ca -0.12 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.41 2ejm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ejm s SER 5 N 0.00 -0.54 0.18 1.61 0.01 -1.26 -5.17 113.70 108.53 2ejm s SER 5 Ca 0.00 0.12 0.10 0.00 1.31 0.00 0.00 55.95 57.49 2ejm s SER 5 Cb 0.00 1.37 -0.04 0.00 0.21 0.00 0.00 66.02 67.55 2ejm s SER 5 CO 0.00 -0.10 -0.18 -0.94 0.41 0.00 0.00 173.24 172.43 2ejm s SER 6 N 2.94 3.77 -1.18 2.44 1.04 -1.26 -5.06 113.70 116.40 2ejm s SER 6 Ca 0.19 -0.73 -0.09 0.00 0.48 0.00 0.00 55.95 55.80 2ejm s SER 6 Cb -0.05 -0.45 0.23 0.00 0.10 0.00 0.00 66.02 65.85 2ejm s SER 6 CO -0.20 0.12 1.50 0.61 0.98 0.00 0.00 173.24 176.25 2ejm n GLY 7 N 0.24 4.38 2.70 7.32 0.00 -1.26 -4.89 105.19 113.68 2ejm n GLY 7 Ca -0.12 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.28 2ejm n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ejm s VAL 8 N -0.45 0.65 -0.18 1.61 1.01 -1.26 -4.99 120.40 116.78 2ejm s VAL 8 Ca 0.36 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2ejm s VAL 8 Cb 0.01 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.90 2ejm s VAL 8 CO 0.01 -0.59 -0.24 -0.24 0.00 0.00 0.00 175.10 174.04 2ejm n SER 9 N 4.96 1.89 -1.41 3.32 2.88 -1.26 -5.11 113.62 118.90 2ejm n SER 9 Ca -0.04 0.44 0.15 0.00 -1.33 0.00 0.00 58.87 58.09 2ejm n SER 9 Cb 0.43 -0.81 -0.09 0.00 -0.75 0.00 0.00 64.21 62.99 2ejm n SER 9 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ejm n SER 10 N -4.48 -7.62 -3.84 -3.46 7.64 -1.26 -5.00 113.62 95.59 2ejm n SER 10 Ca -0.19 1.46 -0.12 0.00 1.01 0.00 0.00 58.87 61.03 2ejm n SER 10 Cb 0.50 -4.82 -0.12 0.00 -1.01 0.00 0.00 64.21 58.76 2ejm n SER 10 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2ejm s GLN 11 N -4.38 0.26 -0.47 1.43 1.11 -1.26 -5.08 119.66 111.26 2ejm s GLN 11 Ca 0.00 0.03 0.04 0.00 0.01 0.00 0.00 55.36 55.44 2ejm s GLN 11 Cb 0.00 0.11 0.17 0.00 -1.01 0.00 0.00 33.01 32.28 2ejm s GLN 11 CO 0.00 -0.04 0.36 -1.21 0.01 0.00 0.00 175.29 174.40 2ejm s GLU 12 N -0.33 1.23 0.53 2.91 8.01 -1.26 -5.11 118.70 124.68 2ejm s GLU 12 Ca -0.04 -2.30 0.00 0.00 0.01 0.00 0.00 54.97 52.63 2ejm s GLU 12 Cb -0.03 -1.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.90 2ejm s GLU 12 CO 0.01 -1.34 0.00 -2.37 0.01 0.00 0.00 175.26 171.57 2ejm n THR 13 N 2.80 0.00 -4.33 3.63 5.66 -1.26 -4.86 114.28 115.92 2ejm n THR 13 Ca 0.25 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.07 2ejm n THR 13 Cb 0.43 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.11 2ejm n THR 13 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2ejm s GLN 14 N 0.00 1.27 0.00 1.09 0.74 -1.26 -4.95 119.66 116.55 2ejm s GLN 14 Ca 0.00 -1.54 0.00 0.00 0.05 0.00 0.00 55.36 53.87 2ejm s GLN 14 Cb 0.00 -1.04 0.00 0.00 1.10 0.00 0.00 33.01 33.07 2ejm s GLN 14 CO 0.00 0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 2ejm n GLY 15 N -0.28 0.96 3.95 2.59 0.00 -1.26 -5.14 105.19 106.00 2ejm n GLY 15 Ca -0.09 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2ejm n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ejm s GLY 16 N 0.00 1.73 0.07 -0.02 0.00 -1.26 -4.77 107.32 103.07 2ejm s GLY 16 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 43.30 2ejm s GLY 16 CO 0.00 -0.69 1.16 2.56 0.00 0.00 0.00 173.10 176.13 2ejm s PRO 17 N -5.19 4.47 -0.30 2.90 0.04 -1.25 -4.90 135.00 130.77 2ejm s PRO 17 Ca 0.61 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 63.17 2ejm s PRO 17 Cb -0.09 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 2ejm s PRO 17 CO 0.44 -0.18 0.66 -0.51 0.04 0.00 0.00 177.00 177.44 2ejm s LEU 18 N 0.83 4.12 0.47 -3.56 1.43 -1.25 -2.98 118.68 117.74 2ejm s LEU 18 Ca 0.56 0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 53.98 2ejm s LEU 18 Cb -0.28 -2.87 -0.14 0.00 0.03 0.00 0.00 46.19 42.93 2ejm s LEU 18 CO 0.30 -0.48 0.15 0.00 0.23 0.00 0.00 176.35 176.55 2ejm n ALA 19 N 5.91 -2.47 0.10 4.21 0.00 -0.10 -4.60 120.51 123.56 2ejm n ALA 19 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 2ejm n ALA 19 Cb 0.49 -1.56 0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 0.25 0.06 -1.07 0.00 0.13 -1.93 -1.47 132.00 127.97 2ejm h PRO 20 Ca -0.41 -0.06 0.30 0.00 -0.87 0.00 0.00 66.00 64.97 2ejm h PRO 20 Cb 1.43 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.35 2ejm h PRO 20 CO 0.46 0.79 0.97 1.41 -0.23 0.00 0.00 178.00 181.40 2ejm s MET 21 N -3.32 0.05 -0.34 0.86 -2.45 -1.26 -4.59 119.30 108.25 2ejm s MET 21 Ca -0.01 -0.01 -0.29 0.00 -1.25 0.00 0.00 55.69 54.13 2ejm s MET 21 Cb 0.11 0.02 -0.07 0.00 1.25 0.00 0.00 34.83 36.15 2ejm s MET 21 CO 0.79 -0.02 2.29 2.41 1.05 0.00 0.00 175.02 181.55 2ejm n THR 22 N 0.16 0.18 -2.68 10.11 -1.04 -1.21 -4.59 114.28 115.20 2ejm n THR 22 Ca 0.03 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 2ejm n THR 22 Cb 0.57 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 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 5.99 5.56 3.14 3.41 0.00 -1.22 -4.83 105.19 117.25 2ejm n GLY 23 Ca 0.35 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.07 1.63 -0.28 2.61 2.01 -0.11 -0.90 115.64 120.53 2ejm s THR 24 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2ejm s THR 24 Cb 0.00 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2ejm s THR 24 CO 0.00 0.46 1.53 -0.63 -0.69 0.00 0.00 174.62 175.29 2ejm s ILE 25 N 0.31 3.81 -0.18 1.82 -1.09 -0.15 0.98 121.20 126.69 2ejm s ILE 25 Ca -0.12 0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 59.01 2ejm s ILE 25 Cb -0.15 -3.88 -0.14 0.00 -1.58 0.00 0.00 42.46 36.71 2ejm s ILE 25 CO 0.05 -0.41 0.12 -0.08 -1.23 0.00 0.00 174.94 173.39 2ejm h GLU 26 N 10.60 0.00 -5.11 2.79 4.57 0.89 1.27 114.58 129.59 2ejm h GLU 26 Ca -0.31 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.53 2ejm h GLU 26 Cb 1.13 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.56 2ejm h GLU 26 CO 1.02 0.69 -0.73 0.15 -1.18 0.00 0.00 179.01 178.97 2ejm s LYS 27 N -2.30 0.97 -0.31 1.92 -0.14 -0.98 -4.57 119.74 114.34 2ejm s LYS 27 Ca -0.24 -1.30 -0.03 0.00 -1.36 0.00 0.00 55.97 53.05 2ejm s LYS 27 Cb 0.04 -0.65 0.11 0.00 -1.68 0.00 0.00 37.83 35.65 2ejm s LYS 27 CO 0.48 0.10 0.14 0.08 -0.76 0.00 0.00 175.35 175.38 2ejm s VAL 28 N -2.73 0.22 -0.86 3.17 1.01 -1.26 -0.19 120.40 119.75 2ejm s VAL 28 Ca 0.11 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2ejm s VAL 28 Cb -0.01 -1.18 0.33 0.00 0.00 0.00 0.00 36.38 35.52 2ejm s VAL 28 CO 0.01 -0.76 2.04 0.49 0.00 0.00 0.00 175.10 176.88 2ejm n PHE 29 N 4.95 2.89 -3.78 5.22 3.72 0.19 -4.92 117.46 125.73 2ejm n PHE 29 Ca -0.02 -2.34 -0.08 0.00 -0.05 0.00 0.00 57.45 54.96 2ejm n PHE 29 Cb 0.41 -1.20 -0.01 0.00 -0.94 0.00 0.00 39.48 37.74 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 -0.41 0.00 -3.45 -4.37 0.24 -1.22 -4.63 118.33 104.50 2ejm n VAL 30 Ca 0.53 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2ejm n VAL 30 Cb 0.25 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 -0.33 0.00 -3.84 7.34 -0.00 -1.26 -5.11 118.16 114.96 2ejm n LYS 31 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.95 2ejm n LYS 31 Cb 0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.31 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 3.89 -1.61 0.58 0.00 -1.26 -4.20 121.76 118.16 2ejm s ALA 32 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2ejm s ALA 32 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.14 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 1.38 0.38 3.94 0.00 0.00 0.20 -4.99 105.19 106.10 2ejm n GLY 33 Ca -0.14 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.43 6.23 -0.10 1.61 2.15 -1.23 -4.95 116.67 117.95 2ejm s ASP 34 Ca 0.00 0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.08 2ejm s ASP 34 Cb 0.00 -1.83 -0.01 0.00 -0.30 0.00 0.00 42.92 40.78 2ejm s ASP 34 CO 0.00 -0.00 -0.16 -0.54 -0.17 0.00 0.00 175.17 174.30 2ejm s LYS 35 N -3.58 3.09 0.18 4.34 3.01 -1.26 -2.21 119.74 123.31 2ejm s LYS 35 Ca 0.34 -0.73 0.04 0.00 -1.01 0.00 0.00 55.97 54.60 2ejm s LYS 35 Cb -0.10 -2.49 -0.05 0.00 -1.01 0.00 0.00 37.83 34.18 2ejm s LYS 35 CO 0.28 0.30 -0.06 0.14 0.51 0.00 0.00 175.35 176.53 2ejm s VAL 36 N 0.09 1.06 -0.13 3.17 -7.23 -1.21 -5.04 120.40 111.10 2ejm s VAL 36 Ca -0.07 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.03 2ejm s VAL 36 Cb -0.15 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2ejm s VAL 36 CO 0.05 -0.58 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.71 2ejm s LYS 37 N -3.81 3.43 -0.49 4.82 3.01 -1.26 -3.99 119.74 121.45 2ejm s LYS 37 Ca 0.21 -0.46 -0.45 0.00 -1.01 0.00 0.00 55.97 54.27 2ejm s LYS 37 Cb 0.04 -2.90 -0.19 0.00 -1.01 0.00 0.00 37.83 33.77 2ejm s LYS 37 CO 0.03 0.43 1.94 0.00 0.51 0.00 0.00 175.35 178.27 2ejm n ALA 38 N 2.98 -0.31 -0.25 5.17 0.00 -1.26 -1.55 120.51 125.29 2ejm n ALA 38 Ca -0.18 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2ejm n ALA 38 Cb 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 6.18 0.87 3.62 0.00 0.00 -1.14 -4.94 105.19 109.78 2ejm n GLY 39 Ca 0.46 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.88 4.77 -1.11 1.61 1.11 -0.59 -4.77 116.67 115.81 2ejm s ASP 40 Ca 0.00 -0.11 -0.23 0.00 0.18 0.00 0.00 52.55 52.39 2ejm s ASP 40 Cb 0.00 -1.15 -0.06 0.00 1.07 0.00 0.00 42.92 42.78 2ejm s ASP 40 CO 0.00 0.28 1.90 -0.94 1.18 0.00 0.00 175.17 177.59 2ejm s SER 41 N -1.48 5.28 0.00 0.27 1.04 -1.26 -1.11 113.70 116.44 2ejm s SER 41 Ca 0.18 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2ejm s SER 41 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2ejm s SER 41 CO 0.08 -2.76 0.96 0.18 0.98 0.00 0.00 173.24 172.69 2ejm n LEU 42 N 13.52 0.00 -4.26 2.42 4.77 -0.68 -4.43 117.00 128.34 2ejm n LEU 42 Ca 0.43 0.96 -0.17 0.00 -0.03 0.00 0.00 56.01 57.20 2ejm n LEU 42 Cb 0.47 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 2ejm n LEU 42 CO 0.66 -0.46 -0.15 -0.04 -1.33 0.00 0.00 177.39 176.07 2ejm s MET 43 N -2.85 1.59 -0.06 3.23 -1.94 -1.22 0.55 119.30 118.60 2ejm s MET 43 Ca 0.00 -1.90 0.04 0.00 -1.71 0.00 0.00 55.69 52.12 2ejm s MET 43 Cb 0.00 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.15 2ejm s MET 43 CO 0.00 -0.57 -0.17 0.08 -0.01 0.00 0.00 175.02 174.36 2ejm s VAL 44 N -3.66 1.43 0.36 -6.03 1.01 0.73 -1.70 120.40 112.54 2ejm s VAL 44 Ca 0.40 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2ejm s VAL 44 Cb 0.04 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 2ejm s VAL 44 CO 0.23 0.42 0.01 -0.04 0.00 0.00 0.00 175.10 175.71 2ejm s MET 45 N 0.30 2.02 -0.21 2.72 -1.94 -0.66 0.14 119.30 121.67 2ejm s MET 45 Ca -0.10 -1.84 -0.04 0.00 -1.71 0.00 0.00 55.69 51.99 2ejm s MET 45 Cb -0.14 -1.85 0.07 0.00 2.01 0.00 0.00 34.83 34.92 2ejm s MET 45 CO 0.04 0.09 0.09 0.42 -0.01 0.00 0.00 175.02 175.65 2ejm s ILE 46 N -2.57 0.02 0.00 2.53 -1.09 0.27 -1.84 121.20 118.52 2ejm s ILE 46 Ca 0.35 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 2ejm s ILE 46 Cb 0.02 -0.77 0.00 0.00 -1.58 0.00 0.00 42.46 40.13 2ejm s ILE 46 CO 0.19 -0.41 0.00 0.00 -1.23 0.00 0.00 174.94 173.49 2ejm n ALA 47 N 5.23 0.00 -3.10 9.38 0.00 -1.04 -0.94 120.51 130.05 2ejm n ALA 47 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.92 2ejm n ALA 47 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2ejm n ALA 47 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2ejm s MET 48 N 0.56 3.76 -0.12 0.00 -1.94 -1.26 -4.53 119.30 115.77 2ejm s MET 48 Ca 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 55.69 51.70 2ejm s MET 48 Cb 0.00 -4.76 0.00 0.00 2.01 0.00 0.00 34.83 32.08 2ejm s MET 48 CO 0.00 -1.57 0.00 1.17 -0.01 0.00 0.00 175.02 174.61 2ejm n LYS 49 N 5.18 -2.74 -4.22 2.03 0.00 -1.26 -4.85 118.16 112.29 2ejm n LYS 49 Ca 0.23 0.07 -0.20 0.00 0.00 0.00 0.00 58.31 58.41 2ejm n LYS 49 Cb 0.46 -4.54 -0.12 0.00 0.00 0.00 0.00 35.03 30.83 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2ejm s MET 50 N -4.75 0.96 -0.10 1.64 -1.94 -1.26 -5.14 119.30 108.71 2ejm s MET 50 Ca 0.00 -1.08 -0.03 0.00 -1.71 0.00 0.00 55.69 52.87 2ejm s MET 50 Cb 0.00 -1.03 -0.03 0.00 2.01 0.00 0.00 34.83 35.77 2ejm s MET 50 CO 0.00 0.23 0.03 -2.00 -0.01 0.00 0.00 175.02 173.27 2ejm s GLU 51 N -1.96 3.13 -0.03 2.03 2.12 -1.26 -2.50 118.70 120.22 2ejm s GLU 51 Ca 0.03 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.03 2ejm s GLU 51 Cb -0.09 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.41 2ejm s GLU 51 CO 0.03 0.70 -0.08 -1.01 -0.54 0.00 0.00 175.26 174.36 2ejm s HIS 52 N -0.85 0.91 -0.52 5.30 3.76 -0.77 -5.00 115.29 118.12 2ejm s HIS 52 Ca 0.13 -0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 54.63 2ejm s HIS 52 Cb -0.12 -0.69 0.11 0.00 1.11 0.00 0.00 32.58 32.99 2ejm s HIS 52 CO 0.03 -0.14 0.48 0.99 -0.85 0.00 0.00 174.74 175.25 2ejm s THR 53 N 0.45 5.20 -0.77 1.30 2.01 -1.26 -1.65 115.64 120.91 2ejm s THR 53 Ca -0.07 -1.35 -0.25 0.00 0.31 0.00 0.00 61.69 60.32 2ejm s THR 53 Cb -0.11 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 2ejm s THR 53 CO 0.01 -0.80 1.83 -0.63 -0.69 0.00 0.00 174.62 174.34 2ejm s ILE 54 N 1.66 3.46 0.44 1.82 1.09 -0.69 -4.95 121.20 124.03 2ejm s ILE 54 Ca 0.04 -0.09 -0.19 0.00 -1.10 0.00 0.00 60.65 59.30 2ejm s ILE 54 Cb -0.28 -4.11 -0.10 0.00 -1.06 0.00 0.00 42.46 36.91 2ejm s ILE 54 CO 0.04 -1.06 0.93 -0.54 -0.10 0.00 0.00 174.94 174.22 2ejm s LYS 55 N 6.81 4.13 0.35 2.79 -0.14 -1.26 -1.69 119.74 130.73 2ejm s LYS 55 Ca 0.65 1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 55.99 2ejm s LYS 55 Cb -0.09 -2.20 -0.10 0.00 -1.68 0.00 0.00 37.83 33.76 2ejm s LYS 55 CO 0.09 -0.07 1.32 0.45 -0.76 0.00 0.00 175.35 176.38 2ejm s SER 56 N -2.42 6.65 0.20 2.83 0.15 -0.27 -4.86 113.70 115.99 2ejm s SER 56 Ca 0.60 2.71 0.07 0.00 0.70 0.00 0.00 55.95 60.03 2ejm s SER 56 Cb -0.09 -2.65 0.12 0.00 -1.71 0.00 0.00 66.02 61.69 2ejm s SER 56 CO 0.18 -0.62 1.47 1.55 1.20 0.00 0.00 173.24 177.02 2ejm h PRO 57 N 3.21 0.08 -2.88 5.44 0.13 -1.95 -3.02 132.00 133.02 2ejm h PRO 57 Ca -0.49 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2ejm h PRO 57 Cb 1.23 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2ejm h PRO 57 CO 0.65 0.81 0.30 -1.59 -0.23 0.00 0.00 178.00 177.94 2ejm s LYS 58 N -3.31 1.80 -0.19 0.86 -2.85 -1.26 -4.85 119.74 109.93 2ejm s LYS 58 Ca -0.01 -1.05 -0.29 0.00 -1.00 0.00 0.00 55.97 53.61 2ejm s LYS 58 Cb 0.11 0.57 -0.00 0.00 -2.06 0.00 0.00 37.83 36.46 2ejm s LYS 58 CO 0.80 -0.83 1.10 0.16 0.10 0.00 0.00 175.35 176.68 2ejm s ASP 59 N -2.99 7.07 0.23 0.03 1.47 -1.26 -4.35 116.67 116.87 2ejm s ASP 59 Ca 0.13 1.50 -0.22 0.00 1.18 0.00 0.00 52.55 55.13 2ejm s ASP 59 Cb -0.05 -2.54 0.04 0.00 -0.34 0.00 0.00 42.92 40.02 2ejm s ASP 59 CO 0.07 -0.67 0.78 -0.83 0.68 0.00 0.00 175.17 175.21 2ejm s GLY 60 N 1.41 -0.16 -0.44 2.12 0.00 -1.26 -4.94 107.32 104.05 2ejm s GLY 60 Ca 0.48 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 2ejm s GLY 60 CO 0.10 -0.05 0.32 -1.59 0.00 0.00 0.00 173.10 171.88 2ejm s THR 61 N -3.72 4.59 -0.39 0.90 2.01 -1.26 -3.34 115.64 114.43 2ejm s THR 61 Ca 0.11 -1.32 -0.42 0.00 0.31 0.00 0.00 61.69 60.37 2ejm s THR 61 Cb -0.04 -3.80 -0.17 0.00 0.01 0.00 0.00 72.50 68.50 2ejm s THR 61 CO 0.05 -0.56 1.87 0.52 -0.69 0.00 0.00 174.62 175.81 2ejm n VAL 62 N 5.02 0.15 0.06 3.82 0.31 -0.94 -1.37 118.33 125.39 2ejm n VAL 62 Ca -0.11 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 2ejm n VAL 62 Cb 0.43 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 32.33 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 7.94 -0.24 -2.21 5.55 3.64 0.18 0.57 116.57 131.99 2ejm h LYS 63 Ca -0.35 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 2ejm h LYS 63 Cb 1.35 0.06 -0.20 0.00 -0.41 0.00 0.00 32.23 33.03 2ejm h LYS 63 CO 1.00 0.09 0.08 0.21 -2.27 0.00 0.00 179.45 178.56 2ejm s LYS 64 N -3.03 0.91 0.06 1.90 2.36 -1.23 -3.87 119.74 116.84 2ejm s LYS 64 Ca -0.10 0.37 -0.07 0.00 -2.55 0.00 0.00 55.97 53.62 2ejm s LYS 64 Cb 0.00 0.43 -0.05 0.00 -1.05 0.00 0.00 37.83 37.16 2ejm s LYS 64 CO 0.36 -0.24 0.34 0.08 1.55 0.00 0.00 175.35 177.44 2ejm s VAL 65 N -0.77 5.20 -0.09 4.02 1.01 -1.26 -1.85 120.40 126.66 2ejm s VAL 65 Ca -0.08 0.24 0.13 0.00 0.00 0.00 0.00 61.98 62.28 2ejm s VAL 65 Cb -0.02 -3.61 -0.20 0.00 0.00 0.00 0.00 36.38 32.55 2ejm s VAL 65 CO 0.07 0.27 0.16 0.49 0.00 0.00 0.00 175.10 176.09 2ejm n PHE 66 N 0.84 0.00 -4.38 5.22 3.72 -0.40 -5.00 117.46 117.46 2ejm n PHE 66 Ca -0.08 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.04 2ejm n PHE 66 Cb 0.52 -0.55 -0.12 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.62 2.37 0.30 1.38 1.51 -1.25 -5.10 117.35 113.95 2ejm s TYR 67 Ca -0.06 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 2ejm s TYR 67 Cb 0.06 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 2ejm s TYR 67 CO 0.59 0.43 0.12 0.54 -1.11 0.00 0.00 175.55 176.12 2ejm n ARG 68 N 0.56 0.62 -1.63 -0.62 1.74 -1.26 -5.03 116.66 111.05 2ejm n ARG 68 Ca -0.15 -2.62 -0.41 0.00 -0.77 0.00 0.00 57.85 53.90 2ejm n ARG 68 Cb 0.54 1.51 0.02 0.00 -1.02 0.00 0.00 32.46 33.51 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 -0.67 1.37 -3.75 5.56 1.02 -1.26 -2.54 120.64 120.36 2ejm n GLU 69 Ca -0.03 0.49 -0.25 0.00 -0.02 0.00 0.00 57.16 57.35 2ejm n GLU 69 Cb 0.47 -2.13 0.02 0.00 -0.02 0.00 0.00 31.44 29.78 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 1.14 -0.52 3.44 0.62 0.00 0.44 -4.93 105.19 105.37 2ejm n GLY 70 Ca 0.10 0.25 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.69 2.57 -0.41 4.61 0.00 -1.05 -4.86 121.76 118.93 2ejm s ALA 71 Ca 0.16 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.15 2ejm s ALA 71 Cb -0.05 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2ejm s ALA 71 CO 0.85 0.26 0.48 -1.14 0.00 0.00 0.00 175.76 176.21 2ejm s GLN 72 N -3.40 3.25 0.59 0.00 0.74 -1.26 -0.98 119.66 118.60 2ejm s GLN 72 Ca 0.27 -0.56 -0.06 0.00 0.05 0.00 0.00 55.36 55.05 2ejm s GLN 72 Cb -0.05 -3.93 0.00 0.00 1.10 0.00 0.00 33.01 30.14 2ejm s GLN 72 CO 0.13 -0.83 0.91 0.00 -0.55 0.00 0.00 175.29 174.95 2ejm s ALA 73 N 2.31 3.28 0.40 1.58 0.00 -0.07 -4.95 121.76 124.30 2ejm s ALA 73 Ca 0.15 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.54 2ejm s ALA 73 Cb -0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2ejm s ALA 73 CO 0.15 -0.79 0.15 -0.80 0.00 0.00 0.00 175.76 174.47 2ejm s ASN 74 N -4.29 4.40 -0.74 0.00 0.01 -1.26 -3.42 114.94 109.64 2ejm s ASN 74 Ca 0.54 -1.05 -0.26 0.00 -0.71 0.00 0.00 52.86 51.37 2ejm s ASN 74 Cb -0.11 -0.50 0.04 0.00 0.41 0.00 0.00 41.25 41.09 2ejm s ASN 74 CO 0.46 -0.48 1.23 -0.60 -1.51 0.00 0.00 177.10 176.19 2ejm s ARG 75 N -3.87 3.19 -0.18 -0.60 3.00 -1.26 -3.35 118.95 115.88 2ejm s ARG 75 Ca 0.40 -0.38 -0.03 0.00 -1.00 0.00 0.00 55.73 54.72 2ejm s ARG 75 Cb 0.03 -4.23 0.00 0.00 0.00 0.00 0.00 34.95 30.75 2ejm s ARG 75 CO 0.22 -2.09 0.20 0.72 0.00 0.00 0.00 175.30 174.35 2ejm n HIS 76 N 9.06 -1.01 -4.03 5.12 8.25 -0.55 -4.92 115.22 127.14 2ejm n HIS 76 Ca 0.03 0.40 -0.09 0.00 -0.26 0.00 0.00 57.72 57.80 2ejm n HIS 76 Cb 0.48 -2.31 -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 -0.08 0.64 0.00 0.00 176.34 176.90 2ejm s THR 77 N -2.22 0.20 -0.82 1.59 -1.32 -1.26 -4.73 115.64 107.08 2ejm s THR 77 Ca 0.04 -1.26 -0.25 0.00 -1.21 0.00 0.00 61.69 59.00 2ejm s THR 77 Cb -0.01 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 2ejm s THR 77 CO 0.24 -0.68 1.62 -2.16 -2.21 0.00 0.00 174.62 171.43 2ejm s PRO 78 N -2.39 3.00 -0.03 7.08 0.04 -1.26 -0.93 135.00 140.51 2ejm s PRO 78 Ca -0.07 -0.26 -0.17 0.00 0.04 0.00 0.00 61.00 60.55 2ejm s PRO 78 Cb -0.03 -4.73 -0.10 0.00 0.04 0.00 0.00 34.50 29.68 2ejm s PRO 78 CO -0.04 -2.60 0.70 -0.07 0.04 0.00 0.00 177.00 175.04 2ejm h LEU 79 N 14.94 -0.44 -9.19 -3.56 3.38 -1.90 -3.45 115.31 115.10 2ejm h LEU 79 Ca -0.07 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 57.19 2ejm h LEU 79 Cb 1.06 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 2ejm h LEU 79 CO 1.29 0.01 -0.75 0.68 0.09 0.00 0.00 178.44 179.75 2ejm s VAL 80 N -3.45 3.25 -0.03 1.22 -7.23 -1.26 -1.28 120.40 111.63 2ejm s VAL 80 Ca -0.09 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2ejm s VAL 80 Cb 0.01 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2ejm s VAL 80 CO 0.29 0.17 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.49 2ejm s GLU 81 N -2.02 2.66 0.13 4.82 2.12 -0.77 -3.92 118.70 121.73 2ejm s GLU 81 Ca 0.20 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.92 2ejm s GLU 81 Cb -0.11 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 2ejm s GLU 81 CO 0.11 0.63 0.21 -0.06 -0.54 0.00 0.00 175.26 175.61 2ejm s PHE 82 N -0.92 3.36 0.94 5.30 0.08 -1.26 0.19 117.98 125.66 2ejm s PHE 82 Ca 0.15 0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.17 2ejm s PHE 82 Cb -0.11 -1.63 0.16 0.00 -0.57 0.00 0.00 43.02 40.87 2ejm s PHE 82 CO 0.05 0.53 1.10 -1.21 -0.10 0.00 0.00 175.22 175.58 2ejm s GLU 83 N -3.00 0.88 -0.61 0.44 0.41 -0.47 -4.58 118.70 111.76 2ejm s GLU 83 Ca 0.33 0.62 -0.23 0.00 -0.41 0.00 0.00 54.97 55.28 2ejm s GLU 83 Cb -0.11 -1.78 0.06 0.00 -1.78 0.00 0.00 34.13 30.52 2ejm s GLU 83 CO 0.26 -2.45 0.92 -1.21 -0.49 0.00 0.00 175.26 172.29 2ejm s GLU 84 N -4.99 3.16 0.33 1.61 2.02 -1.26 -4.85 118.70 114.72 2ejm s GLU 84 Ca 0.64 -0.71 -0.23 0.00 0.02 0.00 0.00 54.97 54.69 2ejm s GLU 84 Cb -0.18 -4.17 -0.10 0.00 0.10 0.00 0.00 34.13 29.78 2ejm s GLU 84 CO 0.57 -1.67 0.89 -1.21 0.02 0.00 0.00 175.26 173.86 2ejm s GLU 85 N 3.85 4.40 0.00 1.61 2.02 -1.26 -4.95 118.70 124.38 2ejm s GLU 85 Ca 0.23 1.15 0.00 0.00 0.02 0.00 0.00 54.97 56.37 2ejm s GLU 85 Cb -0.16 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2ejm s GLU 85 CO 0.12 0.23 0.00 -1.91 0.02 0.00 0.00 175.26 173.72 2ejm n GLU 86 N 0.28 0.00 -3.44 1.61 2.13 -1.26 -5.00 120.64 114.95 2ejm n GLU 86 Ca 0.02 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.41 2ejm n GLU 86 Cb 0.51 -0.17 -0.07 0.00 0.27 0.00 0.00 31.44 31.98 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 -4.91 5.93 -0.75 4.31 0.15 -1.26 -5.01 113.70 112.16 2ejm s SER 87 Ca 0.00 -1.88 -0.17 0.00 0.70 0.00 0.00 55.95 54.60 2ejm s SER 87 Cb 0.00 -2.10 0.15 0.00 -1.71 0.00 0.00 66.02 62.36 2ejm s SER 87 CO 0.00 -0.76 0.81 -1.81 1.20 0.00 0.00 173.24 172.68 2ejm s ASP 88 N 3.07 6.49 -0.11 5.45 1.11 -1.26 -5.02 116.67 126.40 2ejm s ASP 88 Ca 0.05 -2.05 -0.26 0.00 0.18 0.00 0.00 52.55 50.46 2ejm s ASP 88 Cb -0.28 -2.29 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 2ejm s ASP 88 CO 0.01 -0.89 0.86 -0.54 1.18 0.00 0.00 175.17 175.78 2ejm s LYS 89 N 1.72 4.38 0.03 8.23 1.02 -1.26 -5.04 119.74 128.83 2ejm s LYS 89 Ca 0.18 1.11 -0.01 0.00 0.02 0.00 0.00 55.97 57.27 2ejm s LYS 89 Cb -0.15 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2ejm s LYS 89 CO -0.03 -0.21 -0.01 -0.98 -0.92 0.00 0.00 175.35 173.20 2ejm s ARG 90 N 1.69 0.45 -0.09 1.68 1.70 -1.26 -5.15 118.95 117.97 2ejm s ARG 90 Ca 0.42 -0.81 0.04 0.00 -0.47 0.00 0.00 55.73 54.90 2ejm s ARG 90 Cb -0.18 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.36 2ejm s ARG 90 CO 0.17 -0.08 -0.22 -2.00 -1.08 0.00 0.00 175.30 172.08 2ejm s GLU 91 N -2.39 2.93 0.06 3.89 2.12 -1.26 -5.04 118.70 119.02 2ejm s GLU 91 Ca -0.07 -0.84 -0.38 0.00 0.36 0.00 0.00 54.97 54.04 2ejm s GLU 91 Cb -0.03 -2.32 -0.21 0.00 0.26 0.00 0.00 34.13 31.83 2ejm s GLU 91 CO -0.04 0.27 1.57 1.03 -0.54 0.00 0.00 175.26 177.55 2ejm h SER 92 N 6.44 -1.14 -5.13 -1.70 0.87 -2.05 -3.48 113.55 107.36 2ejm h SER 92 Ca -0.25 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2ejm h SER 92 Cb 1.21 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2ejm h SER 92 CO 0.49 -0.82 -0.34 1.21 -0.53 0.00 0.00 176.83 176.84 2ejm n GLU 93 N -5.67 -1.95 -4.10 2.24 0.00 -1.26 -5.03 120.64 104.88 2ejm n GLU 93 Ca -0.17 1.85 -0.30 0.00 0.00 0.00 0.00 57.16 58.55 2ejm n GLU 93 Cb 0.53 -5.39 -0.07 0.00 0.00 0.00 0.00 31.44 26.51 2ejm n GLU 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2ejm s SER 94 N -2.60 5.25 0.08 4.31 0.15 -1.26 -5.13 113.70 114.51 2ejm s SER 94 Ca 0.17 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.72 2ejm s SER 94 Cb -0.05 -1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 2ejm s SER 94 CO 0.71 0.16 -0.06 -0.83 1.20 0.00 0.00 173.24 174.41 2ejm s GLY 95 N -2.44 0.69 0.73 9.45 0.00 -1.26 -5.16 107.32 109.34 2ejm s GLY 95 Ca 0.28 -1.24 -0.11 0.00 0.00 0.00 0.00 44.72 43.65 2ejm s GLY 95 CO 0.20 -1.34 1.07 2.56 0.00 0.00 0.00 173.10 175.60 2ejm s PRO 96 N -3.47 2.67 0.17 2.90 0.04 -1.26 -5.01 135.00 131.03 2ejm s PRO 96 Ca 0.08 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2ejm s PRO 96 Cb 0.03 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2ejm s PRO 96 CO -0.04 -1.27 0.00 0.43 0.04 0.00 0.00 177.00 176.16 2ejm n SER 97 N -3.23 0.61 -4.65 6.66 7.64 -1.26 -5.07 113.62 114.33 2ejm n SER 97 Ca 0.07 0.27 -0.40 0.00 1.01 0.00 0.00 58.87 59.82 2ejm n SER 97 Cb 0.54 -0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.72 2ejm n SER 97 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ejm n SER 98 N -3.47 1.62 0.00 6.43 3.41 -1.26 -5.39 113.62 114.96 2ejm n SER 98 Ca 0.00 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2ejm n SER 98 Cb 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49