#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 -6.92 -4.32 1.61 3.41 -1.26 -5.00 113.62 101.14 2ejm n SER 2 Ca 0.00 0.41 -0.31 0.00 -0.26 0.00 0.00 58.87 58.71 2ejm n SER 2 Cb 0.00 -3.55 -0.16 0.00 -0.26 0.00 0.00 64.21 60.24 2ejm n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ejm s SER 3 N -1.84 3.13 -0.06 4.04 0.15 -1.26 -5.06 113.70 112.80 2ejm s SER 3 Ca 0.23 -0.45 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 2ejm s SER 3 Cb -0.04 -0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 2ejm s SER 3 CO 0.70 0.32 -0.08 0.61 1.20 0.00 0.00 173.24 175.99 2ejm n GLY 4 N 2.45 -0.63 3.85 9.45 0.00 -1.26 -4.99 105.19 114.05 2ejm n GLY 4 Ca -0.16 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2ejm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ejm s SER 5 N -4.43 5.87 -0.50 1.61 0.15 -1.26 -5.08 113.70 110.06 2ejm s SER 5 Ca -0.07 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.66 2ejm s SER 5 Cb 0.01 -1.66 0.13 0.00 -1.71 0.00 0.00 66.02 62.80 2ejm s SER 5 CO 0.10 0.11 0.26 -0.44 1.20 0.00 0.00 173.24 174.47 2ejm s SER 6 N -2.84 4.13 -0.52 5.45 0.01 -1.26 -4.84 113.70 113.84 2ejm s SER 6 Ca 0.32 -2.93 -0.01 0.00 1.31 0.00 0.00 55.95 54.64 2ejm s SER 6 Cb -0.11 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 2ejm s SER 6 CO 0.25 -0.24 0.48 0.61 0.41 0.00 0.00 173.24 174.75 2ejm n GLY 7 N 3.19 -0.82 2.62 3.44 0.00 -1.26 -5.05 105.19 107.31 2ejm n GLY 7 Ca 0.06 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.05 -0.06 0.07 1.61 1.01 -1.26 -5.00 120.40 113.72 2ejm s VAL 8 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2ejm s VAL 8 Cb -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2ejm s VAL 8 CO 0.48 -0.25 -0.00 -0.24 0.00 0.00 0.00 175.10 175.09 2ejm n SER 9 N 5.27 0.80 0.08 3.32 2.88 -1.26 -5.02 113.62 119.69 2ejm n SER 9 Ca -0.07 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2ejm n SER 9 Cb 0.49 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2ejm n SER 9 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ejm n SER 10 N -3.36 0.37 -2.87 -3.46 2.88 -1.26 -5.11 113.62 100.80 2ejm n SER 10 Ca -0.00 0.27 -0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2ejm n SER 10 Cb 0.16 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2ejm n SER 10 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2ejm n GLN 11 N -3.36 -2.52 -0.01 -1.46 7.27 -1.26 -5.00 117.38 111.04 2ejm n GLN 11 Ca 0.00 2.18 -0.01 0.00 0.07 0.00 0.00 57.00 59.24 2ejm n GLN 11 Cb 0.04 -4.05 -0.01 0.00 2.41 0.00 0.00 30.24 28.64 2ejm n GLN 11 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2ejm n GLU 12 N 0.88 0.04 -4.93 3.69 0.28 -1.26 -5.05 120.64 114.28 2ejm n GLU 12 Ca 0.00 0.01 -0.29 0.00 -0.16 0.00 0.00 57.16 56.73 2ejm n GLU 12 Cb 0.16 -0.82 -0.15 0.00 1.43 0.00 0.00 31.44 32.06 2ejm n GLU 12 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2ejm s THR 13 N -2.03 1.93 0.11 3.84 2.01 -1.26 -5.13 115.64 115.11 2ejm s THR 13 Ca -0.02 -1.21 -0.25 0.00 0.31 0.00 0.00 61.69 60.52 2ejm s THR 13 Cb 0.01 -1.64 0.08 0.00 0.01 0.00 0.00 72.50 70.96 2ejm s THR 13 CO 0.03 0.38 0.67 -1.10 -0.69 0.00 0.00 174.62 173.92 2ejm s GLN 14 N -0.99 1.16 0.00 4.92 -1.52 -1.26 -5.03 119.66 116.95 2ejm s GLN 14 Ca 0.10 -0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.09 2ejm s GLN 14 Cb -0.09 0.54 0.00 0.00 -0.22 0.00 0.00 33.01 33.23 2ejm s GLN 14 CO 0.01 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 174.95 2ejm n GLY 15 N -0.32 -1.98 0.00 3.09 0.00 -1.26 -5.13 105.19 99.59 2ejm n GLY 15 Ca -0.15 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 1.53 3.78 -0.02 0.00 -1.22 -4.81 105.19 104.45 2ejm n GLY 16 Ca 0.00 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 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 2.82 4.22 -0.16 1.61 0.04 -1.25 -4.97 135.00 137.30 2ejm s PRO 17 Ca 0.00 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 2ejm s PRO 17 Cb 0.00 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2ejm s PRO 17 CO 0.00 -0.10 0.01 -0.51 0.04 0.00 0.00 177.00 176.43 2ejm s LEU 18 N -2.49 3.51 0.44 -3.56 1.43 -1.26 -3.01 118.68 113.74 2ejm s LEU 18 Ca 0.56 -0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 53.41 2ejm s LEU 18 Cb -0.23 -1.86 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 2ejm s LEU 18 CO 0.29 0.19 0.72 0.00 0.23 0.00 0.00 176.35 177.78 2ejm n ALA 19 N 3.44 -0.87 -0.02 4.21 0.00 0.40 -4.67 120.51 123.00 2ejm n ALA 19 Ca -0.17 0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2ejm n ALA 19 Cb 0.52 -1.89 -0.10 0.00 0.00 0.00 0.00 19.45 17.99 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 0.99 -0.06 0.00 0.00 0.13 -1.92 0.64 132.00 131.77 2ejm h PRO 20 Ca -0.42 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 2ejm h PRO 20 Cb 1.38 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.44 2ejm h PRO 20 CO 0.53 0.56 -0.28 -0.12 -0.23 0.00 0.00 178.00 178.47 2ejm n MET 21 N -4.78 0.45 -2.67 0.86 1.56 -1.26 -4.30 117.12 106.98 2ejm n MET 21 Ca -0.08 -2.61 -0.42 0.00 -0.27 0.00 0.00 57.70 54.31 2ejm n MET 21 Cb 0.32 2.29 -0.03 0.00 2.15 0.00 0.00 33.22 37.96 2ejm n MET 21 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 2ejm s THR 22 N -2.97 4.14 0.00 1.12 2.01 -1.26 -4.21 115.64 114.47 2ejm s THR 22 Ca 0.30 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2ejm s THR 22 Cb 0.01 -4.66 0.00 0.00 0.01 0.00 0.00 72.50 67.85 2ejm s THR 22 CO 0.21 -1.27 0.00 0.61 -0.69 0.00 0.00 174.62 173.48 2ejm n GLY 23 N 5.09 4.19 3.32 4.40 0.00 -1.24 -4.64 105.19 116.31 2ejm n GLY 23 Ca 0.06 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.80 2.05 -0.21 2.61 2.01 0.15 -2.25 115.64 118.19 2ejm s THR 24 Ca 0.00 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.45 2ejm s THR 24 Cb 0.00 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 2ejm s THR 24 CO 0.00 0.43 1.45 -0.63 -0.69 0.00 0.00 174.62 175.17 2ejm s ILE 25 N -0.73 3.95 -0.23 1.82 -1.09 0.31 0.10 121.20 125.34 2ejm s ILE 25 Ca 0.11 1.09 -0.17 0.00 -2.23 0.00 0.00 60.65 59.45 2ejm s ILE 25 Cb -0.10 -3.88 -0.17 0.00 -1.58 0.00 0.00 42.46 36.73 2ejm s ILE 25 CO 0.01 -0.29 0.02 1.21 -1.23 0.00 0.00 174.94 174.66 2ejm n GLU 26 N 7.27 0.59 -4.10 2.79 4.07 0.36 0.12 120.64 131.73 2ejm n GLU 26 Ca 0.16 0.44 -0.12 0.00 -0.06 0.00 0.00 57.16 57.58 2ejm n GLU 26 Cb 0.45 -1.65 -0.11 0.00 -0.06 0.00 0.00 31.44 30.07 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 -2.43 0.64 -0.28 5.31 -0.14 -0.98 -4.65 119.74 117.22 2ejm s LYS 27 Ca -0.32 -0.99 -0.02 0.00 -1.36 0.00 0.00 55.97 53.28 2ejm s LYS 27 Cb 0.09 -0.24 0.09 0.00 -1.68 0.00 0.00 37.83 36.09 2ejm s LYS 27 CO 0.57 0.02 0.10 0.08 -0.76 0.00 0.00 175.35 175.35 2ejm s VAL 28 N -2.32 0.47 -0.87 3.17 1.01 -1.26 0.47 120.40 121.07 2ejm s VAL 28 Ca -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 2ejm s VAL 28 Cb -0.04 -1.29 0.35 0.00 0.00 0.00 0.00 36.38 35.40 2ejm s VAL 28 CO -0.02 -0.59 2.00 0.49 0.00 0.00 0.00 175.10 176.97 2ejm n PHE 29 N 5.03 2.96 -3.86 5.22 3.72 0.43 -4.93 117.46 126.03 2ejm n PHE 29 Ca -0.05 -2.36 -0.10 0.00 -0.05 0.00 0.00 57.45 54.89 2ejm n PHE 29 Cb 0.43 -1.18 -0.01 0.00 -0.94 0.00 0.00 39.48 37.78 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 -0.48 0.00 -4.03 -4.37 0.24 -1.21 -4.63 118.33 103.85 2ejm n VAL 30 Ca 0.53 -1.24 0.04 0.00 -2.04 0.00 0.00 64.34 61.63 2ejm n VAL 30 Cb 0.24 0.86 0.01 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.45 0.05 -2.95 7.34 -0.00 -1.26 -5.09 118.16 115.79 2ejm n LYS 31 Ca -0.02 -0.52 -0.36 0.00 -0.00 0.00 0.00 58.31 57.41 2ejm n LYS 31 Cb 0.47 0.96 -0.06 0.00 -0.00 0.00 0.00 35.03 36.40 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 -1.88 3.32 -1.84 0.58 0.00 -1.26 -3.52 121.76 117.16 2ejm s ALA 32 Ca 0.28 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2ejm s ALA 32 Cb -0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2ejm s ALA 32 CO -0.02 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2ejm n GLY 33 N 0.63 0.80 3.98 0.00 0.00 0.36 -4.98 105.19 105.99 2ejm n GLY 33 Ca -0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.49 5.05 -0.08 1.61 2.15 -1.20 -4.90 116.67 116.80 2ejm s ASP 34 Ca 0.00 -0.14 0.03 0.00 0.43 0.00 0.00 52.55 52.87 2ejm s ASP 34 Cb 0.00 -0.61 0.01 0.00 -0.30 0.00 0.00 42.92 42.02 2ejm s ASP 34 CO 0.00 -1.32 -0.15 -0.54 -0.17 0.00 0.00 175.17 172.99 2ejm s LYS 35 N -4.84 2.06 0.32 4.34 -0.14 -1.26 -2.28 119.74 117.94 2ejm s LYS 35 Ca 0.60 -0.54 0.03 0.00 -1.36 0.00 0.00 55.97 54.70 2ejm s LYS 35 Cb -0.09 -1.66 -0.06 0.00 -1.68 0.00 0.00 37.83 34.35 2ejm s LYS 35 CO 0.40 0.06 0.07 0.14 -0.76 0.00 0.00 175.35 175.26 2ejm s VAL 36 N 0.61 1.04 -0.03 3.17 -7.23 -1.09 -5.01 120.40 111.85 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 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 2ejm s VAL 36 CO 0.05 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.17 2ejm s LYS 37 N -3.90 1.31 -0.45 4.82 1.02 -1.26 -3.70 119.74 117.58 2ejm s LYS 37 Ca 0.35 -0.44 -0.46 0.00 0.02 0.00 0.00 55.97 55.44 2ejm s LYS 37 Cb 0.08 -1.18 -0.20 0.00 -0.52 0.00 0.00 37.83 36.01 2ejm s LYS 37 CO 0.15 0.18 1.55 0.00 -0.92 0.00 0.00 175.35 176.31 2ejm n ALA 38 N 3.20 -1.57 -1.68 5.17 0.00 -1.26 -1.52 120.51 122.84 2ejm n ALA 38 Ca -0.18 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2ejm n ALA 38 Cb 0.54 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 3.77 0.57 3.27 0.00 0.00 -0.54 -4.93 105.19 107.33 2ejm n GLY 39 Ca 0.30 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.64 2.80 -0.64 1.61 1.11 -0.57 -4.79 116.67 113.55 2ejm s ASP 40 Ca 0.00 -0.43 -0.26 0.00 0.18 0.00 0.00 52.55 52.04 2ejm s ASP 40 Cb 0.00 -0.35 -0.05 0.00 1.07 0.00 0.00 42.92 43.59 2ejm s ASP 40 CO 0.00 0.29 2.07 -0.94 1.18 0.00 0.00 175.17 177.77 2ejm s SER 41 N -0.52 4.90 -0.02 0.27 1.04 -1.26 -1.38 113.70 116.72 2ejm s SER 41 Ca 0.08 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 2ejm s SER 41 Cb -0.10 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 2ejm s SER 41 CO -0.01 -2.71 0.44 -0.07 0.98 0.00 0.00 173.24 171.88 2ejm h LEU 42 N 18.07 -0.19 -8.81 2.42 3.38 -1.47 -3.42 115.31 125.29 2ejm h LEU 42 Ca -0.18 0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.40 2ejm h LEU 42 Cb 1.16 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 2ejm h LEU 42 CO 1.18 0.02 -0.53 -0.04 0.09 0.00 0.00 178.44 179.16 2ejm s MET 43 N -2.35 1.58 -0.06 1.13 -1.94 -1.25 0.16 119.30 116.57 2ejm s MET 43 Ca -0.03 -1.89 0.03 0.00 -1.71 0.00 0.00 55.69 52.08 2ejm s MET 43 Cb 0.00 0.30 0.01 0.00 2.01 0.00 0.00 34.83 37.15 2ejm s MET 43 CO 0.10 -0.56 -0.15 0.08 -0.01 0.00 0.00 175.02 174.47 2ejm s VAL 44 N -3.68 1.34 0.40 -6.03 1.01 0.18 -1.92 120.40 111.71 2ejm s VAL 44 Ca 0.40 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.83 2ejm s VAL 44 Cb 0.04 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 2ejm s VAL 44 CO 0.23 0.40 0.12 -0.04 0.00 0.00 0.00 175.10 175.80 2ejm s MET 45 N 0.39 2.15 -0.14 2.72 -1.94 -0.80 0.13 119.30 121.81 2ejm s MET 45 Ca -0.11 -1.88 -0.03 0.00 -1.71 0.00 0.00 55.69 51.96 2ejm s MET 45 Cb -0.14 -1.90 0.05 0.00 2.01 0.00 0.00 34.83 34.84 2ejm s MET 45 CO 0.04 -0.06 0.04 0.42 -0.01 0.00 0.00 175.02 175.44 2ejm s ILE 46 N -2.61 0.30 0.00 2.53 -1.09 0.28 -1.73 121.20 118.89 2ejm s ILE 46 Ca 0.39 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 2ejm s ILE 46 Cb 0.05 -0.71 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 2ejm s ILE 46 CO 0.21 -0.04 0.00 0.00 -1.23 0.00 0.00 174.94 173.88 2ejm n ALA 47 N 5.15 2.39 -2.67 9.38 0.00 -1.24 0.32 120.51 133.84 2ejm n ALA 47 Ca -0.07 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 2ejm n ALA 47 Cb 0.49 0.00 0.02 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 -2.19 5.36 -1.93 0.00 2.81 -1.26 -4.73 117.12 115.17 2ejm n MET 48 Ca 0.00 -4.65 -0.08 0.00 -1.81 0.00 0.00 57.70 51.16 2ejm n MET 48 Cb 0.00 -2.48 -0.02 0.00 -0.71 0.00 0.00 33.22 30.02 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 0.09 -1.92 -4.48 0.03 4.76 -1.26 -4.89 118.16 110.49 2ejm n LYS 49 Ca 0.45 0.42 -0.24 0.00 -2.87 0.00 0.00 58.31 56.07 2ejm n LYS 49 Cb 0.27 -4.81 -0.13 0.00 -1.84 0.00 0.00 35.03 28.52 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 -4.00 1.24 -0.25 1.97 -1.94 -1.26 -5.11 119.30 109.95 2ejm s MET 50 Ca 0.00 -1.00 -0.24 0.00 -1.71 0.00 0.00 55.69 52.74 2ejm s MET 50 Cb 0.00 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 2ejm s MET 50 CO 0.00 0.34 0.79 -1.21 -0.01 0.00 0.00 175.02 174.94 2ejm s GLU 51 N -1.44 4.16 -0.19 2.03 8.01 -1.26 -3.68 118.70 126.33 2ejm s GLU 51 Ca 0.06 0.85 -0.07 0.00 0.01 0.00 0.00 54.97 55.82 2ejm s GLU 51 Cb -0.09 -3.65 -0.04 0.00 -4.31 0.00 0.00 34.13 26.04 2ejm s GLU 51 CO 0.03 -0.51 0.06 -1.01 0.01 0.00 0.00 175.26 173.84 2ejm s HIS 52 N 2.79 3.23 -0.55 1.61 3.76 -0.71 -4.95 115.29 120.46 2ejm s HIS 52 Ca 0.33 0.02 -0.17 0.00 -0.15 0.00 0.00 55.06 55.09 2ejm s HIS 52 Cb -0.15 -2.09 0.12 0.00 1.11 0.00 0.00 32.58 31.57 2ejm s HIS 52 CO 0.08 0.10 0.56 0.99 -0.85 0.00 0.00 174.74 175.62 2ejm s THR 53 N 0.49 5.08 -0.78 1.30 2.01 -1.26 -1.90 115.64 120.58 2ejm s THR 53 Ca 0.03 -1.30 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 2ejm s THR 53 Cb -0.13 -4.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.00 2ejm s THR 53 CO 0.01 -0.94 1.69 -0.63 -0.69 0.00 0.00 174.62 174.06 2ejm s ILE 54 N 1.97 3.55 0.29 1.82 1.09 -0.81 -4.95 121.20 124.16 2ejm s ILE 54 Ca 0.06 -0.04 -0.27 0.00 -1.10 0.00 0.00 60.65 59.30 2ejm s ILE 54 Cb -0.28 -4.35 -0.10 0.00 -1.06 0.00 0.00 42.46 36.68 2ejm s ILE 54 CO 0.04 -1.29 0.94 -0.54 -0.10 0.00 0.00 174.94 173.99 2ejm s LYS 55 N 6.43 4.66 0.33 2.79 -0.14 -1.26 -1.35 119.74 131.21 2ejm s LYS 55 Ca 0.57 1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 56.26 2ejm s LYS 55 Cb -0.08 -2.95 -0.10 0.00 -1.68 0.00 0.00 37.83 33.01 2ejm s LYS 55 CO 0.09 0.36 1.34 0.45 -0.76 0.00 0.00 175.35 176.83 2ejm s SER 56 N -1.48 6.70 0.31 2.83 0.15 -0.48 -4.81 113.70 116.92 2ejm s SER 56 Ca 0.47 2.74 0.16 0.00 0.70 0.00 0.00 55.95 60.02 2ejm s SER 56 Cb -0.21 -2.65 0.40 0.00 -1.71 0.00 0.00 66.02 61.85 2ejm s SER 56 CO 0.26 -0.59 1.60 1.55 1.20 0.00 0.00 173.24 177.26 2ejm h PRO 57 N 3.41 0.00 -2.57 5.44 0.13 -1.93 -1.44 132.00 135.04 2ejm h PRO 57 Ca -0.49 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2ejm h PRO 57 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2ejm h PRO 57 CO 0.66 0.49 0.39 -1.59 -0.23 0.00 0.00 178.00 177.72 2ejm s LYS 58 N -3.35 1.21 0.32 0.86 -2.85 -1.26 -4.80 119.74 109.87 2ejm s LYS 58 Ca 0.01 -0.58 -0.27 0.00 -1.00 0.00 0.00 55.97 54.13 2ejm s LYS 58 Cb 0.10 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 36.25 2ejm s LYS 58 CO 0.72 -0.54 1.03 0.16 0.10 0.00 0.00 175.35 176.82 2ejm s ASP 59 N -2.77 7.16 0.00 0.03 1.47 -1.26 -4.25 116.67 117.04 2ejm s ASP 59 Ca 0.08 2.06 0.00 0.00 1.18 0.00 0.00 52.55 55.87 2ejm s ASP 59 Cb -0.02 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 2ejm s ASP 59 CO -0.03 -0.21 0.00 0.61 0.68 0.00 0.00 175.17 176.22 2ejm n GLY 60 N 0.81 -0.43 3.27 2.12 0.00 -1.24 -4.91 105.19 104.81 2ejm n GLY 60 Ca 0.01 -0.93 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 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 4.79 -0.45 2.61 2.01 -1.26 -2.69 115.64 118.65 2ejm s THR 61 Ca 0.00 -1.60 -0.42 0.00 0.31 0.00 0.00 61.69 59.98 2ejm s THR 61 Cb 0.00 -4.10 -0.17 0.00 0.01 0.00 0.00 72.50 68.24 2ejm s THR 61 CO 0.00 -0.82 2.07 0.52 -0.69 0.00 0.00 174.62 175.70 2ejm n VAL 62 N 5.11 0.06 0.24 3.82 0.31 -0.97 -1.80 118.33 125.10 2ejm n VAL 62 Ca -0.11 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.05 2ejm n VAL 62 Cb 0.40 -0.79 -0.05 0.00 -0.91 0.00 0.00 33.84 32.49 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 9.22 -0.64 -2.00 5.55 3.64 0.13 1.04 116.57 133.51 2ejm h LYS 63 Ca -0.19 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2ejm h LYS 63 Cb 1.39 0.15 -0.20 0.00 -0.41 0.00 0.00 32.23 33.15 2ejm h LYS 63 CO 1.06 -0.40 0.16 0.21 -2.27 0.00 0.00 179.45 178.20 2ejm s LYS 64 N -3.85 0.93 0.18 1.90 2.36 -1.14 -3.66 119.74 116.46 2ejm s LYS 64 Ca -0.11 0.69 -0.09 0.00 -2.55 0.00 0.00 55.97 53.91 2ejm s LYS 64 Cb 0.01 0.45 -0.07 0.00 -1.05 0.00 0.00 37.83 37.17 2ejm s LYS 64 CO 0.33 -0.20 0.50 0.08 1.55 0.00 0.00 175.35 177.61 2ejm s VAL 65 N -0.28 4.99 -0.12 4.02 1.01 -1.26 -1.88 120.40 126.88 2ejm s VAL 65 Ca -0.05 0.44 0.14 0.00 0.00 0.00 0.00 61.98 62.51 2ejm s VAL 65 Cb -0.03 -3.64 -0.20 0.00 0.00 0.00 0.00 36.38 32.51 2ejm s VAL 65 CO 0.05 0.04 0.12 0.49 0.00 0.00 0.00 175.10 175.80 2ejm n PHE 66 N 0.18 0.00 -4.53 5.22 3.72 -0.32 -4.99 117.46 116.74 2ejm n PHE 66 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 2ejm n PHE 66 Cb 0.52 -0.64 -0.13 0.00 -0.94 0.00 0.00 39.48 38.29 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 -2.53 2.32 0.41 1.38 1.51 -1.23 -5.08 117.35 114.13 2ejm s TYR 67 Ca -0.07 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 2ejm s TYR 67 Cb 0.06 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 2ejm s TYR 67 CO 0.62 0.28 0.16 1.03 -1.11 0.00 0.00 175.55 176.53 2ejm s ARG 68 N -1.84 1.96 0.25 -0.62 1.81 -1.26 -5.01 118.95 114.23 2ejm s ARG 68 Ca 0.13 -2.20 -0.31 0.00 -1.72 0.00 0.00 55.73 51.64 2ejm s ARG 68 Cb -0.10 -0.49 -0.14 0.00 -0.45 0.00 0.00 34.95 33.78 2ejm s ARG 68 CO 0.05 -0.54 1.31 0.39 -0.68 0.00 0.00 175.30 175.83 2ejm n GLU 69 N -0.92 1.83 -3.04 3.54 1.02 -1.26 -2.15 120.64 119.67 2ejm n GLU 69 Ca -0.05 0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 57.61 2ejm n GLU 69 Cb 0.64 -2.24 0.05 0.00 -0.02 0.00 0.00 31.44 29.88 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 1.84 -0.01 3.39 0.62 0.00 0.32 -4.96 105.19 106.39 2ejm n GLY 70 Ca 0.11 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.21 2.39 -0.38 4.61 0.00 -0.91 -4.87 121.76 119.39 2ejm s ALA 71 Ca 0.19 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 2ejm s ALA 71 Cb -0.08 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2ejm s ALA 71 CO 0.45 0.54 0.27 -1.14 0.00 0.00 0.00 175.76 175.88 2ejm s GLN 72 N -2.08 3.18 0.32 0.00 0.74 -1.26 -0.53 119.66 120.03 2ejm s GLN 72 Ca 0.14 -0.87 0.07 0.00 0.05 0.00 0.00 55.36 54.75 2ejm s GLN 72 Cb -0.10 -3.89 -0.02 0.00 1.10 0.00 0.00 33.01 30.10 2ejm s GLN 72 CO 0.06 -0.62 0.37 0.00 -0.55 0.00 0.00 175.29 174.55 2ejm s ALA 73 N 1.69 4.01 0.38 1.58 0.00 -0.95 -5.04 121.76 123.42 2ejm s ALA 73 Ca 0.05 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.60 2ejm s ALA 73 Cb -0.18 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2ejm s ALA 73 CO 0.10 0.04 0.19 -0.80 0.00 0.00 0.00 175.76 175.29 2ejm s ASN 74 N -4.06 4.60 -0.26 0.00 -0.87 -1.26 -3.60 114.94 109.49 2ejm s ASN 74 Ca 0.41 -0.91 -0.29 0.00 -1.57 0.00 0.00 52.86 50.50 2ejm s ASN 74 Cb -0.08 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.25 40.53 2ejm s ASN 74 CO 0.29 -0.46 1.85 -0.60 -2.57 0.00 0.00 177.10 175.61 2ejm s ARG 75 N -3.91 3.46 -0.22 -0.60 3.52 -1.26 -3.17 118.95 116.77 2ejm s ARG 75 Ca 0.41 1.68 -0.00 0.00 -0.13 0.00 0.00 55.73 57.68 2ejm s ARG 75 Cb 0.00 -4.19 -0.00 0.00 -1.56 0.00 0.00 34.95 29.20 2ejm s ARG 75 CO 0.23 -1.71 0.20 0.72 -0.81 0.00 0.00 175.30 173.93 2ejm n HIS 76 N 9.95 -0.76 -4.29 5.12 8.25 0.22 -4.96 115.22 128.75 2ejm n HIS 76 Ca 0.23 0.28 -0.20 0.00 -0.26 0.00 0.00 57.72 57.78 2ejm n HIS 76 Cb 0.46 -2.38 -0.11 0.00 1.12 0.00 0.00 29.99 29.08 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 -3.03 1.57 -0.32 1.59 -4.23 -1.19 -4.72 115.64 105.32 2ejm s THR 77 Ca 0.03 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 2ejm s THR 77 Cb -0.00 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2ejm s THR 77 CO 0.20 -0.40 1.36 -2.16 -0.54 0.00 0.00 174.62 173.08 2ejm s PRO 78 N -2.86 3.81 -0.20 3.99 0.04 -1.26 -0.45 135.00 138.07 2ejm s PRO 78 Ca 0.13 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.21 2ejm s PRO 78 Cb -0.05 -3.93 -0.13 0.00 0.04 0.00 0.00 34.50 30.43 2ejm s PRO 78 CO 0.05 -1.25 0.01 1.28 0.04 0.00 0.00 177.00 177.12 2ejm n LEU 79 N 8.02 1.86 -4.21 -3.56 4.77 -1.17 -4.64 117.00 118.08 2ejm n LEU 79 Ca 0.16 0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 56.41 2ejm n LEU 79 Cb 0.47 -0.91 -0.12 0.00 -2.33 0.00 0.00 43.42 40.53 2ejm n LEU 79 CO 0.65 0.08 -0.47 0.68 -1.33 0.00 0.00 177.39 177.00 2ejm s VAL 80 N -2.37 1.27 -0.17 4.08 -7.23 -1.26 -1.17 120.40 113.55 2ejm s VAL 80 Ca -0.26 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2ejm s VAL 80 Cb 0.06 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.76 2ejm s VAL 80 CO 0.47 -0.22 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.18 2ejm s GLU 81 N -1.92 3.16 0.54 4.82 2.12 -0.79 -3.40 118.70 123.23 2ejm s GLU 81 Ca 0.01 -0.77 -0.17 0.00 0.36 0.00 0.00 54.97 54.40 2ejm s GLU 81 Cb -0.09 -2.63 -0.06 0.00 0.26 0.00 0.00 34.13 31.60 2ejm s GLU 81 CO 0.03 -0.06 1.03 -0.06 -0.54 0.00 0.00 175.26 175.66 2ejm s PHE 82 N 0.99 3.13 0.70 5.30 0.08 -1.26 0.16 117.98 127.08 2ejm s PHE 82 Ca -0.02 1.52 -0.13 0.00 0.12 0.00 0.00 56.93 58.42 2ejm s PHE 82 Cb -0.15 -2.96 0.02 0.00 -0.57 0.00 0.00 43.02 39.36 2ejm s PHE 82 CO -0.03 -0.80 1.09 -1.21 -0.10 0.00 0.00 175.22 174.17 2ejm s GLU 83 N -3.83 2.67 -0.36 0.44 0.41 -0.75 -4.24 118.70 113.05 2ejm s GLU 83 Ca 0.63 1.23 -0.32 0.00 -0.41 0.00 0.00 54.97 56.10 2ejm s GLU 83 Cb -0.14 -1.95 0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2ejm s GLU 83 CO 0.30 -1.33 0.54 -1.91 -0.49 0.00 0.00 175.26 172.37 2ejm n GLU 84 N -2.88 -1.57 -1.86 1.61 4.07 -1.26 -4.87 120.64 113.87 2ejm n GLU 84 Ca 0.09 1.23 -0.33 0.00 -0.06 0.00 0.00 57.16 58.09 2ejm n GLU 84 Cb 0.53 -1.71 0.04 0.00 -0.06 0.00 0.00 31.44 30.23 2ejm n GLU 84 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2ejm s GLU 85 N -2.08 2.96 0.26 5.31 -1.05 -1.26 -4.82 118.70 118.02 2ejm s GLU 85 Ca 0.31 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.51 2ejm s GLU 85 Cb -0.03 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 2ejm s GLU 85 CO 0.70 -1.12 0.00 -1.91 0.95 0.00 0.00 175.26 173.88 2ejm n GLU 86 N -2.23 -1.96 -1.12 -4.83 2.13 -1.26 -4.90 120.64 106.46 2ejm n GLU 86 Ca 0.10 1.50 -0.35 0.00 0.66 0.00 0.00 57.16 59.08 2ejm n GLU 86 Cb 0.52 -1.82 0.10 0.00 0.27 0.00 0.00 31.44 30.51 2ejm n GLU 86 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2ejm n SER 87 N -1.70 -0.62 -4.56 4.31 7.64 -1.26 -4.77 113.62 112.66 2ejm n SER 87 Ca 0.00 0.54 -0.27 0.00 1.01 0.00 0.00 58.87 60.15 2ejm n SER 87 Cb 0.16 -1.31 -0.05 0.00 -1.01 0.00 0.00 64.21 61.99 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 -1.79 5.00 0.42 6.43 1.11 -1.26 -4.63 116.67 121.94 2ejm s ASP 88 Ca 0.66 -0.39 0.00 0.00 0.18 0.00 0.00 52.55 53.01 2ejm s ASP 88 Cb -0.30 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.14 2ejm s ASP 88 CO 0.57 -2.82 0.00 0.29 1.18 0.00 0.00 175.17 174.39 2ejm n LYS 89 N 8.91 -2.87 -2.70 8.23 4.01 -1.26 -4.90 118.16 127.57 2ejm n LYS 89 Ca 0.38 2.23 -0.33 0.00 -0.51 0.00 0.00 58.31 60.08 2ejm n LYS 89 Cb 0.47 -2.80 -0.06 0.00 -0.51 0.00 0.00 35.03 32.13 2ejm n LYS 89 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2ejm s ARG 90 N -4.97 4.14 -0.59 1.97 0.52 -1.26 -4.97 118.95 113.79 2ejm s ARG 90 Ca 0.00 1.09 -0.27 0.00 -0.52 0.00 0.00 55.73 56.03 2ejm s ARG 90 Cb 0.00 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 33.31 2ejm s ARG 90 CO 0.00 -0.11 1.53 -1.21 0.02 0.00 0.00 175.30 175.53 2ejm s GLU 91 N -3.40 3.11 -0.89 3.54 2.02 -1.26 -4.92 118.70 116.89 2ejm s GLU 91 Ca 0.61 0.44 -0.24 0.00 0.02 0.00 0.00 54.97 55.80 2ejm s GLU 91 Cb -0.10 -4.21 -0.01 0.00 0.10 0.00 0.00 34.13 29.92 2ejm s GLU 91 CO 0.18 -2.18 1.73 -1.12 0.02 0.00 0.00 175.26 173.89 2ejm s SER 92 N 5.37 5.66 0.46 -0.19 0.01 -1.26 -4.96 113.70 118.79 2ejm s SER 92 Ca 0.55 -0.79 -0.22 0.00 1.31 0.00 0.00 55.95 56.80 2ejm s SER 92 Cb -0.11 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.47 2ejm s SER 92 CO 0.23 -2.25 1.08 -0.70 0.41 0.00 0.00 173.24 172.01 2ejm s GLU 93 N 6.28 3.86 0.91 12.44 2.12 -1.26 -5.00 118.70 138.05 2ejm s GLU 93 Ca 0.60 1.53 -0.11 0.00 0.36 0.00 0.00 54.97 57.35 2ejm s GLU 93 Cb -0.05 -2.31 0.13 0.00 0.26 0.00 0.00 34.13 32.16 2ejm s GLU 93 CO -0.00 -0.41 1.09 0.43 -0.54 0.00 0.00 175.26 175.83 2ejm n SER 94 N -0.59 0.20 0.00 -1.70 7.64 -1.26 -4.97 113.62 112.93 2ejm n SER 94 Ca 0.08 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2ejm n SER 94 Cb 0.50 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2ejm n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ejm n GLY 95 N 0.41 -0.71 3.78 0.23 0.00 -1.26 -5.16 105.19 102.48 2ejm n GLY 95 Ca 0.12 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2ejm n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ejm s PRO 96 N -0.49 0.88 0.45 1.61 0.04 -1.26 -5.09 135.00 131.15 2ejm s PRO 96 Ca 0.00 0.19 0.07 0.00 0.04 0.00 0.00 61.00 61.30 2ejm s PRO 96 Cb 0.00 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2ejm s PRO 96 CO 0.00 -2.35 0.29 0.45 0.04 0.00 0.00 177.00 175.42 2ejm s SER 97 N -4.10 4.63 0.15 6.66 0.15 -1.26 -4.88 113.70 115.05 2ejm s SER 97 Ca 0.65 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2ejm s SER 97 Cb -0.13 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2ejm s SER 97 CO 0.53 -0.74 0.00 -1.20 1.20 0.00 0.00 173.24 173.04 2ejm n SER 98 N -1.46 0.00 0.00 5.45 7.64 -1.26 -5.35 113.62 118.64 2ejm n SER 98 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2ejm n SER 98 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64