#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 -0.39 -0.06 1.61 0.01 -1.26 -5.08 113.70 108.54 2ejm s SER 2 Ca 0.00 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.41 2ejm s SER 2 Cb 0.00 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.70 2ejm s SER 2 CO 0.00 -0.64 0.09 -1.20 0.41 0.00 0.00 173.24 171.90 2ejm n SER 3 N 0.66 -4.28 0.00 2.44 7.64 -1.26 -4.97 113.62 113.85 2ejm n SER 3 Ca -0.19 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2ejm n SER 3 Cb 0.59 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 2ejm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ejm n GLY 4 N 1.28 -1.32 0.00 0.23 0.00 -1.26 -5.04 105.19 99.08 2ejm n GLY 4 Ca -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2ejm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ejm n SER 5 N -1.63 0.00 -0.86 1.61 3.41 -1.26 -5.13 113.62 109.76 2ejm n SER 5 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2ejm n SER 5 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2ejm n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ejm n SER 6 N 0.00 -4.65 -3.21 4.04 2.88 -1.26 -4.95 113.62 106.47 2ejm n SER 6 Ca 0.00 0.90 -0.16 0.00 -1.33 0.00 0.00 58.87 58.28 2ejm n SER 6 Cb 0.00 -2.85 0.01 0.00 -0.75 0.00 0.00 64.21 60.62 2ejm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ejm n GLY 7 N -3.16 -0.95 3.48 0.46 0.00 -1.26 -5.03 105.19 98.73 2ejm n GLY 7 Ca -0.05 0.94 -0.10 0.00 0.00 0.00 0.00 46.02 46.81 2ejm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ejm s VAL 8 N -2.50 0.00 -0.23 1.61 0.11 -1.26 -5.04 120.40 113.09 2ejm s VAL 8 Ca 0.18 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2ejm s VAL 8 Cb -0.03 -1.00 -0.19 0.00 -1.53 0.00 0.00 36.38 33.63 2ejm s VAL 8 CO 0.81 0.00 -0.12 -1.54 -3.33 0.00 0.00 175.10 170.93 2ejm n SER 9 N -0.17 1.77 0.00 3.54 3.41 -1.26 -5.00 113.62 115.91 2ejm n SER 9 Ca -0.13 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2ejm n SER 9 Cb 0.63 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2ejm n SER 9 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ejm n SER 10 N -3.23 0.00 -3.34 4.04 7.64 -1.26 -5.11 113.62 112.36 2ejm n SER 10 Ca -0.43 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.35 2ejm n SER 10 Cb 1.02 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.14 2ejm n SER 10 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2ejm s GLN 11 N 0.00 0.37 0.20 1.43 2.00 -1.26 -5.03 119.66 117.37 2ejm s GLN 11 Ca 0.00 0.23 -0.17 0.00 -2.00 0.00 0.00 55.36 53.42 2ejm s GLN 11 Cb 0.00 -0.45 0.18 0.00 0.80 0.00 0.00 33.01 33.54 2ejm s GLN 11 CO 0.00 -0.88 1.60 1.49 -0.50 0.00 0.00 175.29 177.00 2ejm h GLU 12 N 8.19 -0.09 -4.48 1.67 4.81 -1.99 -3.43 114.58 119.26 2ejm h GLU 12 Ca -0.13 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.90 2ejm h GLU 12 Cb 1.13 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 2ejm h GLU 12 CO 0.28 -0.06 -0.64 -0.08 -0.73 0.00 0.00 179.01 177.78 2ejm s THR 13 N -6.12 0.11 -0.30 0.32 -1.32 -1.26 -5.11 115.64 101.97 2ejm s THR 13 Ca -0.14 -1.93 -0.17 0.00 -1.21 0.00 0.00 61.69 58.24 2ejm s THR 13 Cb 0.18 -2.14 0.18 0.00 -1.51 0.00 0.00 72.50 69.21 2ejm s THR 13 CO 0.71 -0.37 1.15 -1.58 -2.21 0.00 0.00 174.62 172.32 2ejm s GLN 14 N -4.06 0.17 -0.36 7.08 0.74 -1.26 -5.06 119.66 116.91 2ejm s GLN 14 Ca 0.27 0.35 -0.10 0.00 0.05 0.00 0.00 55.36 55.92 2ejm s GLN 14 Cb 0.07 0.12 0.01 0.00 1.10 0.00 0.00 33.01 34.31 2ejm s GLN 14 CO 0.04 -0.04 0.33 0.41 -0.55 0.00 0.00 175.29 175.47 2ejm n GLY 15 N 3.93 -2.33 0.00 2.59 0.00 -1.26 -4.91 105.19 103.22 2ejm n GLY 15 Ca -0.14 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.21 4.80 3.77 -0.02 0.00 -1.26 -3.22 105.19 109.47 2ejm n GLY 16 Ca 0.05 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.46 0.28 -0.06 1.61 0.04 -1.24 -4.99 135.00 126.19 2ejm s PRO 17 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2ejm s PRO 17 Cb 0.00 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.80 2ejm s PRO 17 CO 0.00 -2.72 -0.03 -0.51 0.04 0.00 0.00 177.00 173.78 2ejm s LEU 18 N -6.26 1.12 0.52 -3.56 1.43 -1.26 -3.70 118.68 106.98 2ejm s LEU 18 Ca 0.69 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.47 2ejm s LEU 18 Cb -0.10 -0.48 -0.10 0.00 0.03 0.00 0.00 46.19 45.54 2ejm s LEU 18 CO 0.54 -0.10 0.49 0.00 0.23 0.00 0.00 176.35 177.51 2ejm n ALA 19 N 4.40 -1.35 0.02 4.21 0.00 -0.26 -4.75 120.51 122.77 2ejm n ALA 19 Ca -0.19 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2ejm n ALA 19 Cb 0.51 -1.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 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 0.39 -0.14 -4.13 0.00 0.13 -1.93 -2.56 132.00 123.77 2ejm h PRO 20 Ca -0.44 0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 2ejm h PRO 20 Cb 1.40 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.47 2ejm h PRO 20 CO 0.48 0.33 -0.23 0.00 -0.23 0.00 0.00 178.00 178.34 2ejm s MET 21 N -2.97 1.78 -0.32 0.86 0.23 -1.26 -4.37 119.30 113.25 2ejm s MET 21 Ca -0.12 -1.68 -0.28 0.00 -1.03 0.00 0.00 55.69 52.58 2ejm s MET 21 Cb -0.00 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 2ejm s MET 21 CO 0.45 -0.72 1.94 0.99 -2.03 0.00 0.00 175.02 175.65 2ejm s THR 22 N -3.33 3.32 0.00 3.16 2.01 -1.26 -4.39 115.64 115.14 2ejm s THR 22 Ca 0.30 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2ejm s THR 22 Cb 0.00 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2ejm s THR 22 CO 0.18 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2ejm n GLY 23 N 5.55 3.54 3.10 4.40 0.00 -1.20 -4.62 105.19 115.98 2ejm n GLY 23 Ca 0.25 -1.39 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.22 1.32 -0.19 2.61 2.01 0.13 -1.95 115.64 117.36 2ejm s THR 24 Ca 0.00 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 2ejm s THR 24 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2ejm s THR 24 CO 0.00 0.39 1.69 -0.63 -0.69 0.00 0.00 174.62 175.37 2ejm s ILE 25 N 0.15 3.59 -0.19 1.82 -1.09 0.13 0.12 121.20 125.72 2ejm s ILE 25 Ca -0.05 0.67 -0.22 0.00 -2.23 0.00 0.00 60.65 58.82 2ejm s ILE 25 Cb -0.12 -3.59 -0.21 0.00 -1.58 0.00 0.00 42.46 36.96 2ejm s ILE 25 CO 0.02 -0.23 0.30 -0.08 -1.23 0.00 0.00 174.94 173.72 2ejm h GLU 26 N 10.94 0.02 -4.99 2.79 4.57 0.16 0.64 114.58 128.71 2ejm h GLU 26 Ca -0.36 -0.03 -0.31 0.00 -1.18 0.00 0.00 59.36 57.48 2ejm h GLU 26 Cb 1.17 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.62 2ejm h GLU 26 CO 0.99 1.02 -0.70 0.15 -1.18 0.00 0.00 179.01 179.28 2ejm s LYS 27 N -2.36 1.05 -0.24 1.92 -0.14 -1.06 -4.52 119.74 114.39 2ejm s LYS 27 Ca -0.27 -1.46 -0.04 0.00 -1.36 0.00 0.00 55.97 52.85 2ejm s LYS 27 Cb 0.05 -0.54 0.09 0.00 -1.68 0.00 0.00 37.83 35.75 2ejm s LYS 27 CO 0.62 0.04 0.15 0.08 -0.76 0.00 0.00 175.35 175.47 2ejm s VAL 28 N -3.39 -0.15 -0.79 3.17 1.01 -1.26 -0.08 120.40 118.91 2ejm s VAL 28 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2ejm s VAL 28 Cb 0.03 -0.81 0.36 0.00 0.00 0.00 0.00 36.38 35.96 2ejm s VAL 28 CO 0.01 -0.49 1.85 0.49 0.00 0.00 0.00 175.10 176.96 2ejm n PHE 29 N 5.28 3.05 -3.85 5.22 3.72 0.39 -4.95 117.46 126.33 2ejm n PHE 29 Ca -0.06 -2.49 -0.09 0.00 -0.05 0.00 0.00 57.45 54.77 2ejm n PHE 29 Cb 0.46 -1.00 -0.02 0.00 -0.94 0.00 0.00 39.48 37.98 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 -0.50 0.00 0.00 -4.37 0.24 -1.21 -4.62 118.33 107.87 2ejm n VAL 30 Ca 0.51 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 2ejm n VAL 30 Cb 0.30 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.36 0.00 -2.26 7.34 -0.00 -1.26 -5.07 118.16 116.55 2ejm n LYS 31 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 2ejm n LYS 31 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.39 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 -2.00 2.78 -1.73 0.58 0.00 -1.26 -2.76 121.76 117.37 2ejm s ALA 32 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2ejm s ALA 32 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2ejm s ALA 32 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2ejm n GLY 33 N 0.25 0.11 4.01 0.00 0.00 0.38 -4.96 105.19 104.98 2ejm n GLY 33 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.19 5.32 -0.09 1.61 2.15 -1.11 -4.89 116.67 117.46 2ejm s ASP 34 Ca 0.00 -0.46 0.02 0.00 0.43 0.00 0.00 52.55 52.54 2ejm s ASP 34 Cb 0.00 -0.38 0.01 0.00 -0.30 0.00 0.00 42.92 42.26 2ejm s ASP 34 CO 0.00 -1.09 -0.15 -0.54 -0.17 0.00 0.00 175.17 173.22 2ejm s LYS 35 N -4.58 2.10 0.39 4.34 -0.14 -1.26 -1.73 119.74 118.86 2ejm s LYS 35 Ca 0.58 -0.54 0.04 0.00 -1.36 0.00 0.00 55.97 54.69 2ejm s LYS 35 Cb -0.08 -1.74 -0.04 0.00 -1.68 0.00 0.00 37.83 34.28 2ejm s LYS 35 CO 0.37 0.01 0.07 0.14 -0.76 0.00 0.00 175.35 175.17 2ejm s VAL 36 N 0.78 1.03 -0.03 3.17 -7.23 -1.18 -5.00 120.40 111.94 2ejm s VAL 36 Ca -0.11 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 2ejm s VAL 36 Cb -0.16 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.23 2ejm s VAL 36 CO 0.02 0.00 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.19 2ejm s LYS 37 N -3.81 0.99 -0.49 4.82 1.02 -1.26 -4.01 119.74 117.00 2ejm s LYS 37 Ca 0.28 -0.26 -0.47 0.00 0.02 0.00 0.00 55.97 55.54 2ejm s LYS 37 Cb 0.06 -0.92 -0.20 0.00 -0.52 0.00 0.00 37.83 36.25 2ejm s LYS 37 CO 0.14 0.05 1.60 0.00 -0.92 0.00 0.00 175.35 176.21 2ejm n ALA 38 N 3.55 -1.36 -1.66 5.17 0.00 -1.25 -0.80 120.51 124.16 2ejm n ALA 38 Ca -0.21 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2ejm n ALA 38 Cb 0.53 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 3.98 0.97 3.60 0.00 0.00 -0.74 -4.96 105.19 108.04 2ejm n GLY 39 Ca 0.31 -0.47 -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 -2.68 4.56 -0.76 1.61 1.11 0.02 -4.80 116.67 115.74 2ejm s ASP 40 Ca 0.00 -0.30 -0.26 0.00 0.18 0.00 0.00 52.55 52.17 2ejm s ASP 40 Cb 0.00 -0.95 -0.01 0.00 1.07 0.00 0.00 42.92 43.03 2ejm s ASP 40 CO 0.00 0.20 1.70 -0.44 1.18 0.00 0.00 175.17 177.81 2ejm s SER 41 N -2.07 5.59 -0.01 0.27 0.01 -1.26 -1.61 113.70 114.61 2ejm s SER 41 Ca 0.21 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.14 2ejm s SER 41 Cb -0.11 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2ejm s SER 41 CO 0.13 -2.23 0.41 -0.07 0.41 0.00 0.00 173.24 171.89 2ejm h LEU 42 N 15.55 -0.12 -8.78 2.44 3.38 -1.72 -3.41 115.31 122.65 2ejm h LEU 42 Ca -0.13 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.46 2ejm h LEU 42 Cb 1.08 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 2ejm h LEU 42 CO 1.26 0.01 -0.52 -0.04 0.09 0.00 0.00 178.44 179.24 2ejm s MET 43 N -2.10 1.58 -0.06 1.13 -1.94 -1.24 0.15 119.30 116.81 2ejm s MET 43 Ca -0.02 -1.88 0.04 0.00 -1.71 0.00 0.00 55.69 52.12 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 0.06 -0.57 -0.18 0.08 -0.01 0.00 0.00 175.02 174.40 2ejm s VAL 44 N -3.67 1.55 0.34 -6.03 1.01 0.89 -1.69 120.40 112.80 2ejm s VAL 44 Ca 0.40 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.71 2ejm s VAL 44 Cb 0.04 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2ejm s VAL 44 CO 0.22 0.44 0.08 -0.04 0.00 0.00 0.00 175.10 175.80 2ejm s MET 45 N 0.26 2.22 -0.18 2.72 -1.94 -0.83 0.18 119.30 121.72 2ejm s MET 45 Ca -0.10 -1.66 -0.04 0.00 -1.71 0.00 0.00 55.69 52.17 2ejm s MET 45 Cb -0.14 -2.04 0.06 0.00 2.01 0.00 0.00 34.83 34.72 2ejm s MET 45 CO 0.04 0.11 0.07 0.42 -0.01 0.00 0.00 175.02 175.65 2ejm s ILE 46 N -2.48 0.17 0.00 2.53 -1.09 0.32 -1.87 121.20 118.77 2ejm s ILE 46 Ca 0.36 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 2ejm s ILE 46 Cb -0.01 -0.77 0.00 0.00 -1.58 0.00 0.00 42.46 40.10 2ejm s ILE 46 CO 0.21 -0.26 0.00 0.00 -1.23 0.00 0.00 174.94 173.66 2ejm n ALA 47 N 5.18 1.82 -1.56 9.38 0.00 -1.24 0.20 120.51 134.29 2ejm n ALA 47 Ca -0.08 -0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 2ejm n ALA 47 Cb 0.48 0.00 -0.05 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 -1.16 3.25 -1.70 0.00 2.81 -1.26 -4.65 117.12 114.41 2ejm n MET 48 Ca 0.00 -2.50 -0.10 0.00 -1.81 0.00 0.00 57.70 53.29 2ejm n MET 48 Cb 0.00 -2.37 -0.03 0.00 -0.71 0.00 0.00 33.22 30.11 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 1.75 -1.61 -4.33 0.03 5.02 -1.26 -4.90 118.16 112.86 2ejm n LYS 49 Ca 0.56 0.58 -0.26 0.00 -2.02 0.00 0.00 58.31 57.18 2ejm n LYS 49 Cb 0.47 -4.91 -0.13 0.00 -0.02 0.00 0.00 35.03 30.44 2ejm n LYS 49 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ejm s MET 50 N -3.63 1.22 -0.33 1.97 1.75 -1.26 -5.11 119.30 113.92 2ejm s MET 50 Ca 0.00 -1.22 -0.26 0.00 -1.25 0.00 0.00 55.69 52.97 2ejm s MET 50 Cb 0.00 -1.56 0.01 0.00 2.84 0.00 0.00 34.83 36.12 2ejm s MET 50 CO 0.00 0.37 0.90 -1.21 -0.65 0.00 0.00 175.02 174.43 2ejm s GLU 51 N -1.93 3.95 -0.46 4.11 8.01 -1.26 -3.69 118.70 127.42 2ejm s GLU 51 Ca 0.09 0.70 -0.09 0.00 0.01 0.00 0.00 54.97 55.68 2ejm s GLU 51 Cb -0.10 -3.75 0.11 0.00 -4.31 0.00 0.00 34.13 26.08 2ejm s GLU 51 CO 0.05 -0.82 0.33 -1.01 0.01 0.00 0.00 175.26 173.82 2ejm s HIS 52 N 3.28 3.41 -0.63 1.61 3.76 -0.78 -4.96 115.29 120.98 2ejm s HIS 52 Ca 0.37 -1.81 -0.27 0.00 -0.15 0.00 0.00 55.06 53.20 2ejm s HIS 52 Cb -0.13 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.15 2ejm s HIS 52 CO 0.15 -0.97 1.58 0.99 -0.85 0.00 0.00 174.74 175.64 2ejm s THR 53 N 1.38 3.57 -0.74 1.30 2.01 -1.26 -1.97 115.64 119.92 2ejm s THR 53 Ca 0.05 0.38 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 2ejm s THR 53 Cb -0.26 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 2ejm s THR 53 CO -0.00 -1.23 1.83 -0.63 -0.69 0.00 0.00 174.62 173.90 2ejm s ILE 54 N 7.32 3.44 0.36 1.82 1.09 -0.68 -4.95 121.20 129.60 2ejm s ILE 54 Ca 0.55 -0.03 -0.24 0.00 -1.10 0.00 0.00 60.65 59.82 2ejm s ILE 54 Cb -0.11 -4.08 -0.10 0.00 -1.06 0.00 0.00 42.46 37.11 2ejm s ILE 54 CO 0.20 -1.04 0.97 -0.54 -0.10 0.00 0.00 174.94 174.44 2ejm s LYS 55 N 6.85 4.42 0.30 2.79 -0.14 -1.26 -2.31 119.74 130.39 2ejm s LYS 55 Ca 0.65 1.32 -0.29 0.00 -1.36 0.00 0.00 55.97 56.28 2ejm s LYS 55 Cb -0.10 -2.61 -0.10 0.00 -1.68 0.00 0.00 37.83 33.35 2ejm s LYS 55 CO 0.11 0.13 1.22 0.45 -0.76 0.00 0.00 175.35 176.50 2ejm s SER 56 N -1.74 6.99 0.21 2.83 0.15 -0.63 -4.87 113.70 116.64 2ejm s SER 56 Ca 0.54 2.49 0.08 0.00 0.70 0.00 0.00 55.95 59.76 2ejm s SER 56 Cb -0.17 -2.64 0.14 0.00 -1.71 0.00 0.00 66.02 61.64 2ejm s SER 56 CO 0.22 -0.37 1.48 1.55 1.20 0.00 0.00 173.24 177.32 2ejm h PRO 57 N 3.72 0.05 0.00 5.44 0.13 -1.94 -1.98 132.00 137.42 2ejm h PRO 57 Ca -0.48 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 2ejm h PRO 57 Cb 1.22 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2ejm h PRO 57 CO 0.67 0.79 0.04 1.63 -0.23 0.00 0.00 178.00 180.89 2ejm n LYS 58 N -3.66 0.59 -3.86 0.86 5.02 -1.26 -4.78 118.16 111.07 2ejm n LYS 58 Ca -0.01 -1.65 -0.27 0.00 -2.02 0.00 0.00 58.31 54.35 2ejm n LYS 58 Cb 0.73 1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 37.50 2ejm n LYS 58 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2ejm s ASP 59 N -2.39 6.36 0.00 4.39 1.47 -1.26 -3.78 116.67 121.46 2ejm s ASP 59 Ca 0.15 0.27 0.00 0.00 1.18 0.00 0.00 52.55 54.15 2ejm s ASP 59 Cb -0.02 -1.95 0.00 0.00 -0.34 0.00 0.00 42.92 40.61 2ejm s ASP 59 CO 0.11 0.04 0.00 0.61 0.68 0.00 0.00 175.17 176.61 2ejm n GLY 60 N -0.42 1.06 3.47 2.12 0.00 -1.26 -4.94 105.19 105.24 2ejm n GLY 60 Ca -0.06 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 4.84 -0.40 2.61 2.01 -1.26 -3.09 115.64 118.36 2ejm s THR 61 Ca 0.00 -0.26 -0.43 0.00 0.31 0.00 0.00 61.69 61.31 2ejm s THR 61 Cb 0.00 -4.27 -0.18 0.00 0.01 0.00 0.00 72.50 68.07 2ejm s THR 61 CO 0.00 -0.74 1.74 0.52 -0.69 0.00 0.00 174.62 175.45 2ejm n VAL 62 N 5.71 0.15 -0.01 3.82 0.31 -0.70 -1.59 118.33 126.01 2ejm n VAL 62 Ca -0.05 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.14 2ejm n VAL 62 Cb 0.46 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.42 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 6.69 -0.08 -1.48 5.55 3.64 0.13 1.11 116.57 132.13 2ejm h LYS 63 Ca -0.41 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.07 2ejm h LYS 63 Cb 1.35 0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.94 2ejm h LYS 63 CO 0.98 0.51 0.59 0.21 -2.27 0.00 0.00 179.45 179.47 2ejm s LYS 64 N -2.91 0.47 -0.14 1.90 2.20 -1.15 -3.94 119.74 116.17 2ejm s LYS 64 Ca -0.14 0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 55.65 2ejm s LYS 64 Cb -0.01 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2ejm s LYS 64 CO 0.53 -0.12 0.11 0.08 -0.36 0.00 0.00 175.35 175.58 2ejm s VAL 65 N -0.64 5.20 -0.29 4.02 1.01 -1.26 -1.76 120.40 126.67 2ejm s VAL 65 Ca 0.01 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.20 2ejm s VAL 65 Cb -0.02 -3.29 0.62 0.00 0.00 0.00 0.00 36.38 33.68 2ejm s VAL 65 CO -0.03 0.55 1.63 0.49 0.00 0.00 0.00 175.10 177.74 2ejm n PHE 66 N 2.63 1.75 -3.58 5.22 3.01 -0.62 -4.95 117.46 120.92 2ejm n PHE 66 Ca -0.18 -1.29 -0.17 0.00 1.01 0.00 0.00 57.45 56.82 2ejm n PHE 66 Cb 0.54 -0.56 -0.07 0.00 -0.01 0.00 0.00 39.48 39.37 2ejm n PHE 66 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2ejm s TYR 67 N -3.06 -0.55 0.21 1.38 1.51 -1.25 -4.97 117.35 110.62 2ejm s TYR 67 Ca 0.49 0.97 0.04 0.00 -1.01 0.00 0.00 57.07 57.57 2ejm s TYR 67 Cb 0.41 0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 42.57 2ejm s TYR 67 CO 0.08 -0.54 0.18 0.54 -1.11 0.00 0.00 175.55 174.70 2ejm n ARG 68 N 1.10 0.27 -1.70 -0.62 1.74 -1.26 -5.04 116.66 111.15 2ejm n ARG 68 Ca -0.19 -2.05 -0.44 0.00 -0.77 0.00 0.00 57.85 54.40 2ejm n ARG 68 Cb 0.57 1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 33.67 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 -0.39 2.51 -2.22 5.56 1.02 -1.26 -1.60 120.64 124.26 2ejm n GLU 69 Ca 0.05 0.91 -0.04 0.00 -0.02 0.00 0.00 57.16 58.05 2ejm n GLU 69 Cb 0.37 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 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 3.76 0.33 3.92 0.62 0.00 0.22 -5.01 105.19 109.03 2ejm n GLY 70 Ca 0.17 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.39 3.95 -0.27 4.61 0.00 -0.63 -4.87 121.76 122.16 2ejm s ALA 71 Ca 0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2ejm s ALA 71 Cb -0.01 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2ejm s ALA 71 CO 0.03 0.68 0.03 -1.14 0.00 0.00 0.00 175.76 175.36 2ejm s GLN 72 N -2.86 3.10 0.32 0.00 0.74 -1.26 0.17 119.66 119.87 2ejm s GLN 72 Ca 0.34 -0.83 0.08 0.00 0.05 0.00 0.00 55.36 54.99 2ejm s GLN 72 Cb -0.12 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 2ejm s GLN 72 CO 0.28 -0.39 0.24 0.00 -0.55 0.00 0.00 175.29 174.87 2ejm s ALA 73 N 1.46 3.71 0.38 1.58 0.00 -0.82 -5.02 121.76 123.06 2ejm s ALA 73 Ca 0.03 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.41 2ejm s ALA 73 Cb -0.17 -1.08 -0.07 0.00 0.00 0.00 0.00 23.12 21.81 2ejm s ALA 73 CO 0.00 0.06 0.04 1.21 0.00 0.00 0.00 175.76 177.06 2ejm s ASN 74 N -3.93 4.06 -0.08 0.00 2.47 -1.26 -3.24 114.94 112.96 2ejm s ASN 74 Ca 0.39 -1.19 -0.29 0.00 0.42 0.00 0.00 52.86 52.19 2ejm s ASN 74 Cb -0.05 -0.44 -0.06 0.00 -1.45 0.00 0.00 41.25 39.25 2ejm s ASN 74 CO 0.25 -0.39 1.80 -0.60 -3.72 0.00 0.00 177.10 174.44 2ejm s ARG 75 N -3.74 3.98 -0.38 0.43 3.52 -1.26 -3.04 118.95 118.46 2ejm s ARG 75 Ca 0.36 2.19 -0.01 0.00 -0.13 0.00 0.00 55.73 58.14 2ejm s ARG 75 Cb 0.05 -4.09 -0.02 0.00 -1.56 0.00 0.00 34.95 29.34 2ejm s ARG 75 CO 0.19 -1.10 0.34 0.72 -0.81 0.00 0.00 175.30 174.65 2ejm n HIS 76 N 7.99 -1.12 -4.21 5.12 8.25 -0.96 -4.99 115.22 125.30 2ejm n HIS 76 Ca 0.20 0.41 -0.17 0.00 -0.26 0.00 0.00 57.72 57.89 2ejm n HIS 76 Cb 0.43 -2.93 -0.11 0.00 1.12 0.00 0.00 29.99 28.50 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 -3.09 1.19 -0.09 1.59 -4.23 -1.17 -4.86 115.64 104.98 2ejm s THR 77 Ca 0.11 -1.61 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 2ejm s THR 77 Cb -0.01 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 2ejm s THR 77 CO 0.31 -0.41 1.24 -2.16 -0.54 0.00 0.00 174.62 173.06 2ejm s PRO 78 N -2.49 4.30 -0.26 3.99 0.04 -1.26 -1.11 135.00 138.21 2ejm s PRO 78 Ca 0.06 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 2ejm s PRO 78 Cb -0.06 -3.64 -0.12 0.00 0.04 0.00 0.00 34.50 30.73 2ejm s PRO 78 CO 0.02 -0.55 -0.32 1.28 0.04 0.00 0.00 177.00 177.47 2ejm n LEU 79 N 5.73 2.06 -4.03 -3.56 4.77 -1.24 -4.76 117.00 115.97 2ejm n LEU 79 Ca 0.12 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.26 2ejm n LEU 79 Cb 0.46 -0.80 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 2ejm n LEU 79 CO 0.56 0.62 -0.37 0.68 -1.33 0.00 0.00 177.39 177.54 2ejm s VAL 80 N -2.49 0.24 -0.10 4.08 -7.23 -1.26 -1.59 120.40 112.05 2ejm s VAL 80 Ca -0.37 -1.18 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2ejm s VAL 80 Cb 0.13 -0.66 -0.01 0.00 0.56 0.00 0.00 36.38 36.41 2ejm s VAL 80 CO 0.49 -0.61 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.76 2ejm s GLU 81 N -2.13 3.05 0.40 4.82 2.12 -0.72 -3.70 118.70 122.54 2ejm s GLU 81 Ca -0.09 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.29 2ejm s GLU 81 Cb -0.05 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.88 2ejm s GLU 81 CO -0.03 0.24 0.80 -0.06 -0.54 0.00 0.00 175.26 175.68 2ejm s PHE 82 N 0.22 3.43 0.61 5.30 0.08 -1.20 0.16 117.98 126.59 2ejm s PHE 82 Ca -0.13 1.18 -0.16 0.00 0.12 0.00 0.00 56.93 57.94 2ejm s PHE 82 Cb -0.16 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 2ejm s PHE 82 CO 0.07 -0.10 1.08 -1.21 -0.10 0.00 0.00 175.22 174.96 2ejm s GLU 83 N -3.63 3.14 -0.00 0.44 0.41 -0.62 -4.58 118.70 113.85 2ejm s GLU 83 Ca 0.54 1.32 -0.38 0.00 -0.41 0.00 0.00 54.97 56.04 2ejm s GLU 83 Cb -0.10 -2.00 -0.17 0.00 -1.78 0.00 0.00 34.13 30.08 2ejm s GLU 83 CO 0.27 -0.97 1.37 0.39 -0.49 0.00 0.00 175.26 175.83 2ejm n GLU 84 N -2.07 0.93 -2.47 1.61 1.02 -1.26 -4.83 120.64 113.57 2ejm n GLU 84 Ca 0.10 0.34 -0.41 0.00 -0.02 0.00 0.00 57.16 57.16 2ejm n GLU 84 Cb 0.52 -1.96 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 2ejm n GLU 84 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2ejm s GLU 85 N 0.96 4.58 0.06 3.49 2.02 -1.26 -5.04 118.70 123.51 2ejm s GLU 85 Ca 0.88 1.78 0.05 0.00 0.02 0.00 0.00 54.97 57.70 2ejm s GLU 85 Cb -1.04 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 29.92 2ejm s GLU 85 CO 0.52 0.07 -0.14 -1.21 0.02 0.00 0.00 175.26 174.53 2ejm s GLU 86 N -0.62 0.81 -0.17 1.61 2.02 -1.26 -4.95 118.70 116.14 2ejm s GLU 86 Ca 0.49 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 2ejm s GLU 86 Cb -0.31 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.12 2ejm s GLU 86 CO 0.37 0.18 0.03 0.43 0.02 0.00 0.00 175.26 176.29 2ejm n SER 87 N 1.40 -7.28 0.00 -0.19 7.64 -1.26 -5.02 113.62 108.91 2ejm n SER 87 Ca -0.21 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2ejm n SER 87 Cb 0.54 -3.45 0.00 0.00 -1.01 0.00 0.00 64.21 60.29 2ejm n SER 87 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ejm n ASP 88 N 0.94 0.00 -4.37 6.43 -0.08 -1.26 -5.14 116.55 113.07 2ejm n ASP 88 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2ejm n ASP 88 Cb 0.27 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.60 2ejm n ASP 88 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2ejm s LYS 89 N 0.00 3.25 0.97 -0.67 2.20 -1.26 -5.09 119.74 119.14 2ejm s LYS 89 Ca 0.00 -0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 2ejm s LYS 89 Cb 0.00 -3.35 0.17 0.00 -1.51 0.00 0.00 37.83 33.15 2ejm s LYS 89 CO 0.00 -0.37 1.09 0.50 -0.36 0.00 0.00 175.35 176.21 2ejm s ARG 90 N 1.53 0.62 0.24 4.03 3.52 -1.26 -5.04 118.95 122.59 2ejm s ARG 90 Ca 0.04 1.03 0.07 0.00 -0.13 0.00 0.00 55.73 56.74 2ejm s ARG 90 Cb -0.16 -1.72 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 2ejm s ARG 90 CO 0.02 -2.74 0.16 -2.00 -0.81 0.00 0.00 175.30 169.93 2ejm s GLU 91 N -4.73 2.82 0.21 5.12 2.12 -1.26 -5.13 118.70 117.85 2ejm s GLU 91 Ca 0.66 -1.09 -0.21 0.00 0.36 0.00 0.00 54.97 54.68 2ejm s GLU 91 Cb -0.21 -2.51 0.04 0.00 0.26 0.00 0.00 34.13 31.72 2ejm s GLU 91 CO 0.59 0.41 0.63 -1.12 -0.54 0.00 0.00 175.26 175.23 2ejm s SER 92 N -3.72 -0.41 -0.12 -1.70 0.01 -1.26 -5.18 113.70 101.32 2ejm s SER 92 Ca 0.32 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 57.15 2ejm s SER 92 Cb -0.08 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.83 2ejm s SER 92 CO 0.24 -1.13 0.35 -0.70 0.41 0.00 0.00 173.24 172.41 2ejm s GLU 93 N -3.83 0.44 0.21 12.44 2.12 -1.26 -5.17 118.70 123.65 2ejm s GLU 93 Ca 0.06 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.86 2ejm s GLU 93 Cb -0.03 0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.52 2ejm s GLU 93 CO -0.04 -0.06 -0.05 -1.54 -0.54 0.00 0.00 175.26 173.03 2ejm s SER 94 N 0.04 2.02 0.19 -1.70 1.04 -1.26 -5.17 113.70 108.86 2ejm s SER 94 Ca -0.01 -1.14 -0.12 0.00 0.48 0.00 0.00 55.95 55.16 2ejm s SER 94 Cb -0.03 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2ejm s SER 94 CO 0.01 -0.40 0.40 -0.83 0.98 0.00 0.00 173.24 173.39 2ejm s GLY 95 N -3.29 0.33 0.57 7.32 0.00 -1.26 -5.16 107.32 105.83 2ejm s GLY 95 Ca 0.25 -0.69 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 2ejm s GLY 95 CO 0.07 -0.62 1.05 2.56 0.00 0.00 0.00 173.10 176.15 2ejm s PRO 96 N -3.95 3.44 0.14 2.90 0.04 -1.26 -5.07 135.00 131.24 2ejm s PRO 96 Ca 0.16 1.19 0.10 0.00 0.04 0.00 0.00 61.00 62.50 2ejm s PRO 96 Cb 0.01 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2ejm s PRO 96 CO 0.01 -0.71 -0.24 -1.54 0.04 0.00 0.00 177.00 174.56 2ejm s SER 97 N -2.74 3.12 -0.10 6.66 1.04 -1.26 -5.07 113.70 115.36 2ejm s SER 97 Ca 0.63 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 56.24 2ejm s SER 97 Cb -0.15 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 2ejm s SER 97 CO 0.35 0.12 0.13 0.28 0.98 0.00 0.00 173.24 175.10 2ejm h SER 98 N 3.71 -0.01 0.00 7.02 0.02 -2.10 -3.58 113.55 118.61 2ejm h SER 98 Ca -0.48 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2ejm h SER 98 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2ejm h SER 98 CO 0.42 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.29