#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 -0.16 -0.29 1.61 1.04 -1.26 -5.16 113.70 109.49 2ejm s SER 2 Ca 0.00 -0.18 -0.16 0.00 0.48 0.00 0.00 55.95 56.09 2ejm s SER 2 Cb 0.00 0.38 0.11 0.00 0.10 0.00 0.00 66.02 66.62 2ejm s SER 2 CO 0.00 -0.65 0.84 -0.55 0.98 0.00 0.00 173.24 173.85 2ejm s SER 3 N -2.16 -0.73 -0.65 7.02 0.15 -1.26 -5.09 113.70 110.99 2ejm s SER 3 Ca -0.04 1.16 0.06 0.00 0.70 0.00 0.00 55.95 57.83 2ejm s SER 3 Cb -0.00 1.31 0.23 0.00 -1.71 0.00 0.00 66.02 65.84 2ejm s SER 3 CO -0.04 -0.18 0.67 0.61 1.20 0.00 0.00 173.24 175.49 2ejm n GLY 4 N 4.02 4.50 2.73 9.45 0.00 -1.26 -4.90 105.19 119.73 2ejm n GLY 4 Ca -0.19 -2.66 -0.00 0.00 0.00 0.00 0.00 46.02 43.16 2ejm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ejm s SER 5 N -2.13 -0.30 0.20 1.61 1.04 -1.26 -5.17 113.70 107.69 2ejm s SER 5 Ca 0.36 -0.23 -0.23 0.00 0.48 0.00 0.00 55.95 56.33 2ejm s SER 5 Cb 0.10 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.66 2ejm s SER 5 CO -0.06 -0.03 0.77 -0.94 0.98 0.00 0.00 173.24 173.97 2ejm s SER 6 N 1.60 -0.31 0.00 7.02 1.04 -1.26 -5.15 113.70 116.64 2ejm s SER 6 Ca 0.18 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2ejm s SER 6 Cb 0.07 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2ejm s SER 6 CO -0.13 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.61 2ejm n GLY 7 N -0.43 3.18 3.48 7.32 0.00 -1.26 -5.05 105.19 112.43 2ejm n GLY 7 Ca -0.08 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 4.66 0.16 1.61 1.01 -1.26 -4.91 120.40 121.67 2ejm s VAL 8 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 59.95 2ejm s VAL 8 Cb 0.00 -4.89 0.06 0.00 0.00 0.00 0.00 36.38 31.55 2ejm s VAL 8 CO 0.00 -1.64 0.57 -0.44 0.00 0.00 0.00 175.10 173.58 2ejm s SER 9 N 3.62 -0.48 -0.27 3.32 0.01 -1.26 -5.14 113.70 113.49 2ejm s SER 9 Ca 0.39 -0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.43 2ejm s SER 9 Cb -0.03 0.58 -0.05 0.00 0.21 0.00 0.00 66.02 66.74 2ejm s SER 9 CO -0.05 -0.97 0.23 -0.94 0.41 0.00 0.00 173.24 171.92 2ejm s SER 10 N -2.77 6.10 -0.44 2.44 1.04 -1.26 -5.00 113.70 113.81 2ejm s SER 10 Ca 0.02 0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.61 2ejm s SER 10 Cb -0.01 -2.14 0.18 0.00 0.10 0.00 0.00 66.02 64.15 2ejm s SER 10 CO -0.12 -0.06 0.61 -1.58 0.98 0.00 0.00 173.24 173.07 2ejm s GLN 11 N 1.72 0.88 0.35 4.02 0.74 -1.26 -5.12 119.66 120.99 2ejm s GLN 11 Ca 0.09 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 54.84 2ejm s GLN 11 Cb -0.16 -0.12 0.00 0.00 1.10 0.00 0.00 33.01 33.84 2ejm s GLN 11 CO 0.10 -1.24 0.00 -1.91 -0.55 0.00 0.00 175.29 171.69 2ejm n GLU 12 N 3.89 -2.71 -4.72 1.67 0.00 -1.26 -4.96 120.64 112.56 2ejm n GLU 12 Ca 0.14 2.06 -0.33 0.00 0.00 0.00 0.00 57.16 59.03 2ejm n GLU 12 Cb 0.55 -2.45 -0.14 0.00 0.00 0.00 0.00 31.44 29.39 2ejm n GLU 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2ejm s THR 13 N -3.97 3.04 -0.07 6.31 2.01 -1.26 -5.10 115.64 116.60 2ejm s THR 13 Ca 0.00 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2ejm s THR 13 Cb 0.00 -2.28 0.11 0.00 0.01 0.00 0.00 72.50 70.34 2ejm s THR 13 CO 0.00 0.52 0.89 0.00 -0.69 0.00 0.00 174.62 175.34 2ejm s GLN 14 N 0.44 0.78 0.11 4.92 0.00 -1.26 -5.10 119.66 119.54 2ejm s GLN 14 Ca -0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 55.36 55.21 2ejm s GLN 14 Cb -0.16 0.36 0.00 0.00 0.00 0.00 0.00 33.01 33.21 2ejm s GLN 14 CO 0.05 -0.29 0.00 0.41 0.00 0.00 0.00 175.29 175.46 2ejm n GLY 15 N 0.29 -0.24 3.59 2.60 0.00 -1.26 -5.12 105.19 105.05 2ejm n GLY 15 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.31 1.58 0.32 -0.02 0.00 -1.26 -4.88 107.32 98.75 2ejm s GLY 16 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 44.72 44.41 2ejm s GLY 16 CO 0.00 0.58 1.07 2.56 0.00 0.00 0.00 173.10 177.31 2ejm s PRO 17 N -4.65 4.49 -0.19 2.90 0.04 -1.25 -4.96 135.00 131.38 2ejm s PRO 17 Ca 0.67 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 63.35 2ejm s PRO 17 Cb -0.22 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 2ejm s PRO 17 CO 0.61 0.11 -0.02 -0.51 0.04 0.00 0.00 177.00 177.23 2ejm s LEU 18 N -1.85 3.16 -0.08 -3.56 1.43 -1.26 -2.56 118.68 113.96 2ejm s LEU 18 Ca 0.49 -0.23 -0.41 0.00 -1.03 0.00 0.00 54.13 52.95 2ejm s LEU 18 Cb -0.28 -1.79 -0.19 0.00 0.03 0.00 0.00 46.19 43.96 2ejm s LEU 18 CO 0.36 0.07 1.24 0.00 0.23 0.00 0.00 176.35 178.25 2ejm n ALA 19 N 4.18 -2.60 0.42 4.21 0.00 -0.36 -4.72 120.51 121.64 2ejm n ALA 19 Ca -0.17 0.56 0.13 0.00 0.00 0.00 0.00 53.44 53.96 2ejm n ALA 19 Cb 0.52 -1.87 0.44 0.00 0.00 0.00 0.00 19.45 18.54 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 3.85 0.00 -2.31 0.00 0.13 -1.92 -0.91 132.00 130.84 2ejm h PRO 20 Ca -0.49 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.78 2ejm h PRO 20 Cb 1.40 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.40 2ejm h PRO 20 CO 0.74 0.00 0.49 0.00 -0.23 0.00 0.00 178.00 179.00 2ejm s MET 21 N -3.30 0.97 -0.36 0.86 0.23 -1.26 -4.85 119.30 111.60 2ejm s MET 21 Ca 0.06 -0.44 -0.29 0.00 -1.03 0.00 0.00 55.69 53.99 2ejm s MET 21 Cb 0.09 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.79 2ejm s MET 21 CO 0.54 -0.43 1.36 0.99 -2.03 0.00 0.00 175.02 175.44 2ejm s THR 22 N -3.19 4.01 0.06 3.16 2.01 -1.26 -4.30 115.64 116.13 2ejm s THR 22 Ca 0.08 1.09 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 2ejm s THR 22 Cb -0.01 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2ejm s THR 22 CO -0.05 -0.62 0.09 0.61 -0.69 0.00 0.00 174.62 173.96 2ejm n GLY 23 N 4.70 2.64 3.49 4.40 0.00 -1.15 -4.70 105.19 114.58 2ejm n GLY 23 Ca 0.16 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.60 2.84 -0.04 2.61 2.01 0.21 -0.88 115.64 119.79 2ejm s THR 24 Ca 0.04 -1.56 -0.29 0.00 0.31 0.00 0.00 61.69 60.19 2ejm s THR 24 Cb -0.00 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 2ejm s THR 24 CO 0.03 0.07 0.97 -0.63 -0.69 0.00 0.00 174.62 174.36 2ejm s ILE 25 N -1.23 4.85 -0.17 1.82 -1.09 0.75 0.19 121.20 126.32 2ejm s ILE 25 Ca 0.19 2.00 -0.03 0.00 -2.23 0.00 0.00 60.65 60.58 2ejm s ILE 25 Cb -0.10 -4.29 -0.10 0.00 -1.58 0.00 0.00 42.46 36.39 2ejm s ILE 25 CO 0.11 0.11 -0.19 1.21 -1.23 0.00 0.00 174.94 174.95 2ejm n GLU 26 N 4.30 0.40 -4.01 2.79 4.07 0.23 0.34 120.64 128.77 2ejm n GLU 26 Ca 0.06 0.13 -0.12 0.00 -0.06 0.00 0.00 57.16 57.18 2ejm n GLU 26 Cb 0.50 -1.25 -0.12 0.00 -0.06 0.00 0.00 31.44 30.51 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 -2.33 0.34 -0.34 5.31 -0.14 -1.05 -4.68 119.74 116.84 2ejm s LYS 27 Ca -0.24 -0.49 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 2ejm s LYS 27 Cb 0.08 -0.11 0.11 0.00 -1.68 0.00 0.00 37.83 36.23 2ejm s LYS 27 CO 0.36 0.01 0.12 0.08 -0.76 0.00 0.00 175.35 175.16 2ejm s VAL 28 N -0.99 1.09 -0.64 3.17 1.01 -1.26 0.59 120.40 123.38 2ejm s VAL 28 Ca -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 2ejm s VAL 28 Cb -0.07 -1.81 0.21 0.00 0.00 0.00 0.00 36.38 34.71 2ejm s VAL 28 CO -0.00 -0.72 2.39 0.49 0.00 0.00 0.00 175.10 177.25 2ejm n PHE 29 N 4.52 2.29 -3.45 5.22 3.72 0.24 -4.89 117.46 125.11 2ejm n PHE 29 Ca 0.01 -2.15 0.00 0.00 -0.05 0.00 0.00 57.45 55.26 2ejm n PHE 29 Cb 0.40 -1.28 0.00 0.00 -0.94 0.00 0.00 39.48 37.66 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 0.15 0.00 -3.14 -4.37 0.24 -1.21 -4.65 118.33 105.35 2ejm n VAL 30 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.81 2ejm n VAL 30 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 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 0.00 -1.12 -3.70 7.34 -0.00 -1.26 -5.10 118.16 114.32 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 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 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 3.80 -1.38 0.58 0.00 -1.26 -4.10 121.76 118.40 2ejm s ALA 32 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2ejm s ALA 32 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2ejm s ALA 32 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.75 2ejm n GLY 33 N 1.54 0.79 4.00 0.00 0.00 0.33 -4.99 105.19 106.88 2ejm n GLY 33 Ca -0.14 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.66 5.36 -0.05 1.61 2.15 -1.19 -4.92 116.67 116.97 2ejm s ASP 34 Ca 0.00 -0.37 0.04 0.00 0.43 0.00 0.00 52.55 52.65 2ejm s ASP 34 Cb 0.00 -0.52 -0.00 0.00 -0.30 0.00 0.00 42.92 42.10 2ejm s ASP 34 CO 0.00 -1.04 -0.17 -0.54 -0.17 0.00 0.00 175.17 173.25 2ejm s LYS 35 N -4.57 1.84 0.40 4.34 3.01 -1.26 -2.14 119.74 121.35 2ejm s LYS 35 Ca 0.58 -0.59 0.05 0.00 -1.01 0.00 0.00 55.97 54.99 2ejm s LYS 35 Cb -0.09 -1.57 -0.02 0.00 -1.01 0.00 0.00 37.83 35.14 2ejm s LYS 35 CO 0.36 0.20 0.17 0.14 0.51 0.00 0.00 175.35 176.74 2ejm s VAL 36 N 0.16 0.41 -0.02 3.17 -7.23 -1.20 -5.00 120.40 110.69 2ejm s VAL 36 Ca -0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 2ejm s VAL 36 Cb -0.13 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2ejm s VAL 36 CO 0.03 0.00 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.19 2ejm s LYS 37 N -3.62 0.92 -0.28 4.82 -0.14 -1.26 -4.18 119.74 115.99 2ejm s LYS 37 Ca 0.27 -0.29 -0.44 0.00 -1.36 0.00 0.00 55.97 54.15 2ejm s LYS 37 Cb 0.02 -0.86 -0.20 0.00 -1.68 0.00 0.00 37.83 35.11 2ejm s LYS 37 CO 0.18 0.11 1.37 0.00 -0.76 0.00 0.00 175.35 176.25 2ejm n ALA 38 N 3.28 -2.33 -2.14 5.17 0.00 -1.25 -1.23 120.51 122.01 2ejm n ALA 38 Ca -0.18 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2ejm n ALA 38 Cb 0.54 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 2.92 0.86 3.59 0.00 0.00 -1.01 -4.96 105.19 106.59 2ejm n GLY 39 Ca 0.26 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.87 4.53 -0.97 1.61 1.11 -0.36 -4.77 116.67 114.95 2ejm s ASP 40 Ca 0.00 -0.28 -0.24 0.00 0.18 0.00 0.00 52.55 52.21 2ejm s ASP 40 Cb 0.00 -0.95 -0.02 0.00 1.07 0.00 0.00 42.92 43.02 2ejm s ASP 40 CO 0.00 0.21 1.80 -0.94 1.18 0.00 0.00 175.17 177.42 2ejm s SER 41 N -1.95 5.57 0.00 0.27 1.04 -1.26 -1.17 113.70 116.20 2ejm s SER 41 Ca 0.20 -1.02 -0.07 0.00 0.48 0.00 0.00 55.95 55.54 2ejm s SER 41 Cb -0.11 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2ejm s SER 41 CO 0.12 -2.37 0.74 -0.07 0.98 0.00 0.00 173.24 172.64 2ejm h LEU 42 N 16.27 -0.22 -8.81 2.42 3.38 -1.12 -3.41 115.31 123.82 2ejm h LEU 42 Ca 0.15 0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.72 2ejm h LEU 42 Cb 1.00 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 2ejm h LEU 42 CO 1.28 -0.10 -0.53 -0.04 0.09 0.00 0.00 178.44 179.14 2ejm s MET 43 N -2.89 1.59 -0.10 1.13 -1.94 -1.21 0.81 119.30 116.69 2ejm s MET 43 Ca -0.04 -1.90 0.01 0.00 -1.71 0.00 0.00 55.69 52.05 2ejm s MET 43 Cb 0.00 0.31 0.02 0.00 2.01 0.00 0.00 34.83 37.17 2ejm s MET 43 CO 0.11 -0.57 -0.14 0.08 -0.01 0.00 0.00 175.02 174.50 2ejm s VAL 44 N -3.66 1.37 0.39 -6.03 1.01 0.20 0.19 120.40 113.87 2ejm s VAL 44 Ca 0.40 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2ejm s VAL 44 Cb 0.04 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2ejm s VAL 44 CO 0.23 0.42 0.36 -0.04 0.00 0.00 0.00 175.10 176.07 2ejm s MET 45 N 1.07 2.62 -0.05 2.72 -1.94 0.41 0.78 119.30 124.92 2ejm s MET 45 Ca -0.05 -1.43 0.01 0.00 -1.71 0.00 0.00 55.69 52.50 2ejm s MET 45 Cb -0.15 -2.44 0.02 0.00 2.01 0.00 0.00 34.83 34.28 2ejm s MET 45 CO -0.02 -0.10 -0.04 0.42 -0.01 0.00 0.00 175.02 175.27 2ejm s ILE 46 N -2.41 0.56 0.00 2.53 -1.09 0.50 -0.47 121.20 120.82 2ejm s ILE 46 Ca 0.46 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2ejm s ILE 46 Cb -0.05 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.23 2ejm s ILE 46 CO 0.28 0.24 0.00 0.00 -1.23 0.00 0.00 174.94 174.23 2ejm n ALA 47 N 4.28 0.46 -1.54 9.38 0.00 -0.83 0.66 120.51 132.91 2ejm n ALA 47 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 2ejm n ALA 47 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 1.98 -2.46 0.00 2.81 -1.26 -4.29 117.12 113.89 2ejm n MET 48 Ca 0.00 -2.24 -0.00 0.00 -1.81 0.00 0.00 57.70 53.65 2ejm n MET 48 Cb 0.00 -3.18 -0.00 0.00 -0.71 0.00 0.00 33.22 29.33 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 7.10 -2.92 -4.03 0.03 4.76 -1.26 -4.84 118.16 117.00 2ejm n LYS 49 Ca 0.49 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.86 2ejm n LYS 49 Cb 0.41 -4.51 -0.11 0.00 -1.84 0.00 0.00 35.03 28.99 2ejm n LYS 49 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2ejm s MET 50 N -4.92 0.45 -0.13 1.97 1.75 -1.26 -5.15 119.30 112.01 2ejm s MET 50 Ca 0.00 -0.81 -0.06 0.00 -1.25 0.00 0.00 55.69 53.57 2ejm s MET 50 Cb 0.00 0.02 -0.04 0.00 2.84 0.00 0.00 34.83 37.65 2ejm s MET 50 CO 0.00 -0.04 0.10 -1.83 -0.65 0.00 0.00 175.02 172.60 2ejm s GLU 51 N -2.12 3.52 -0.04 4.11 -1.05 -1.26 -1.97 118.70 119.89 2ejm s GLU 51 Ca -0.08 -0.22 0.05 0.00 -0.15 0.00 0.00 54.97 54.56 2ejm s GLU 51 Cb -0.05 -3.15 -0.01 0.00 -0.44 0.00 0.00 34.13 30.48 2ejm s GLU 51 CO -0.03 0.64 -0.19 -1.01 0.95 0.00 0.00 175.26 175.62 2ejm s HIS 52 N -0.64 1.84 -0.38 4.83 0.09 0.38 -4.95 115.29 116.46 2ejm s HIS 52 Ca 0.12 -0.49 -0.25 0.00 -0.00 0.00 0.00 55.06 54.44 2ejm s HIS 52 Cb -0.12 -1.22 0.02 0.00 -0.00 0.00 0.00 32.58 31.26 2ejm s HIS 52 CO 0.02 -0.14 0.89 0.99 -0.00 0.00 0.00 174.74 176.50 2ejm s THR 53 N -0.11 4.60 -0.62 1.30 2.01 -1.26 -0.44 115.64 121.12 2ejm s THR 53 Ca -0.01 1.05 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 2ejm s THR 53 Cb -0.11 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 2ejm s THR 53 CO 0.02 -0.56 1.74 -0.63 -0.69 0.00 0.00 174.62 174.50 2ejm s ILE 54 N 3.43 3.44 0.28 1.82 -1.09 0.51 -4.94 121.20 124.65 2ejm s ILE 54 Ca 0.36 0.28 -0.27 0.00 -2.23 0.00 0.00 60.65 58.79 2ejm s ILE 54 Cb -0.12 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.55 2ejm s ILE 54 CO 0.19 -1.05 0.91 -0.54 -1.23 0.00 0.00 174.94 173.22 2ejm s LYS 55 N 6.68 4.64 0.37 2.79 -0.14 -1.26 -0.60 119.74 132.22 2ejm s LYS 55 Ca 0.62 1.33 -0.27 0.00 -1.36 0.00 0.00 55.97 56.29 2ejm s LYS 55 Cb -0.12 -2.98 -0.09 0.00 -1.68 0.00 0.00 37.83 32.95 2ejm s LYS 55 CO 0.21 0.38 1.25 0.45 -0.76 0.00 0.00 175.35 176.88 2ejm s SER 56 N -1.46 6.58 0.19 2.83 0.15 -0.32 -4.85 113.70 116.82 2ejm s SER 56 Ca 0.46 2.56 0.04 0.00 0.70 0.00 0.00 55.95 59.71 2ejm s SER 56 Cb -0.21 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2ejm s SER 56 CO 0.26 -0.65 1.44 1.55 1.20 0.00 0.00 173.24 177.04 2ejm h PRO 57 N 2.97 0.16 0.00 5.44 0.13 -1.92 -2.67 132.00 136.11 2ejm h PRO 57 Ca -0.49 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.48 2ejm h PRO 57 Cb 1.23 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ejm h PRO 57 CO 0.64 0.87 0.11 0.36 -0.23 0.00 0.00 178.00 179.75 2ejm n LYS 58 N -3.70 0.44 -3.33 0.86 2.85 -1.26 -4.81 118.16 109.22 2ejm n LYS 58 Ca -0.03 -0.85 -0.32 0.00 -1.05 0.00 0.00 58.31 56.06 2ejm n LYS 58 Cb 0.75 1.07 -0.06 0.00 -0.65 0.00 0.00 35.03 36.15 2ejm n LYS 58 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2ejm s ASP 59 N -1.81 6.67 0.00 -5.58 -1.08 -1.26 -3.86 116.67 109.75 2ejm s ASP 59 Ca 0.06 1.04 0.00 0.00 -0.52 0.00 0.00 52.55 53.13 2ejm s ASP 59 Cb -0.02 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 2ejm s ASP 59 CO 0.05 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.23 2ejm n GLY 60 N -0.22 2.39 3.44 2.66 0.00 -1.26 -4.95 105.19 107.25 2ejm n GLY 60 Ca 0.01 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 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 5.16 -0.40 2.61 2.01 -1.26 -3.22 115.64 118.54 2ejm s THR 61 Ca 0.00 -0.70 -0.44 0.00 0.31 0.00 0.00 61.69 60.86 2ejm s THR 61 Cb 0.00 -4.07 -0.18 0.00 0.01 0.00 0.00 72.50 68.25 2ejm s THR 61 CO 0.00 -0.50 1.65 0.52 -0.69 0.00 0.00 174.62 175.60 2ejm n VAL 62 N 5.30 0.13 -0.06 3.82 0.31 -0.91 -1.07 118.33 125.85 2ejm n VAL 62 Ca -0.10 -0.02 -0.05 0.00 -0.01 0.00 0.00 64.34 64.16 2ejm n VAL 62 Cb 0.46 -0.79 -0.04 0.00 -0.91 0.00 0.00 33.84 32.56 2ejm n VAL 62 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2ejm h LYS 63 N 5.87 0.00 -2.65 5.55 3.64 -0.73 0.97 116.57 129.23 2ejm h LYS 63 Ca -0.45 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.83 2ejm h LYS 63 Cb 1.35 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.97 2ejm h LYS 63 CO 0.97 0.30 -0.10 0.21 -2.27 0.00 0.00 179.45 178.56 2ejm s LYS 64 N -1.82 0.81 0.09 1.90 2.36 -1.25 -3.80 119.74 118.03 2ejm s LYS 64 Ca -0.08 -0.01 -0.03 0.00 -2.55 0.00 0.00 55.97 53.31 2ejm s LYS 64 Cb -0.00 0.37 -0.05 0.00 -1.05 0.00 0.00 37.83 37.10 2ejm s LYS 64 CO 0.23 -0.23 0.28 0.08 1.55 0.00 0.00 175.35 177.26 2ejm s VAL 65 N -1.24 5.29 -0.18 4.02 1.01 -1.26 -0.89 120.40 127.15 2ejm s VAL 65 Ca -0.12 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2ejm s VAL 65 Cb -0.03 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 2ejm s VAL 65 CO 0.06 0.12 -0.12 0.49 0.00 0.00 0.00 175.10 175.66 2ejm n PHE 66 N 0.30 0.00 -4.45 5.22 3.72 -0.61 -4.97 117.46 116.67 2ejm n PHE 66 Ca -0.05 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.05 2ejm n PHE 66 Cb 0.51 -0.72 -0.12 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.37 2.57 0.40 1.38 1.51 -1.20 -5.07 117.35 114.56 2ejm s TYR 67 Ca -0.21 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2ejm s TYR 67 Cb 0.06 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2ejm s TYR 67 CO 0.47 0.33 0.07 0.54 -1.11 0.00 0.00 175.55 175.85 2ejm n ARG 68 N 1.13 0.77 -1.69 -0.62 1.74 -1.26 -4.99 116.66 111.74 2ejm n ARG 68 Ca -0.16 -3.10 -0.44 0.00 -0.77 0.00 0.00 57.85 53.38 2ejm n ARG 68 Cb 0.52 1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 33.21 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 -0.94 2.14 -3.07 5.56 1.02 -1.26 -1.85 120.64 122.24 2ejm n GLU 69 Ca -0.11 0.76 -0.15 0.00 -0.02 0.00 0.00 57.16 57.64 2ejm n GLU 69 Cb 0.54 -2.42 0.04 0.00 -0.02 0.00 0.00 31.44 29.59 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 1.86 -0.02 3.55 0.62 0.00 0.15 -4.97 105.19 106.38 2ejm n GLY 70 Ca 0.10 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.13 2.88 -0.45 4.61 0.00 -0.77 -4.86 121.76 120.04 2ejm s ALA 71 Ca 0.32 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 2ejm s ALA 71 Cb -0.14 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2ejm s ALA 71 CO 0.40 0.59 0.57 -1.14 0.00 0.00 0.00 175.76 176.18 2ejm s GLN 72 N -1.19 3.17 0.28 0.00 0.74 -1.26 -0.18 119.66 121.23 2ejm s GLN 72 Ca 0.15 -0.64 0.06 0.00 0.05 0.00 0.00 55.36 54.98 2ejm s GLN 72 Cb -0.11 -3.99 -0.02 0.00 1.10 0.00 0.00 33.01 29.98 2ejm s GLN 72 CO 0.05 -1.01 0.39 0.00 -0.55 0.00 0.00 175.29 174.17 2ejm s ALA 73 N 2.53 4.02 0.39 1.58 0.00 -0.06 -5.02 121.76 125.20 2ejm s ALA 73 Ca 0.17 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 50.87 2ejm s ALA 73 Cb -0.16 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.23 2ejm s ALA 73 CO 0.15 0.13 0.03 1.21 0.00 0.00 0.00 175.76 177.29 2ejm s ASN 74 N -4.04 4.04 -0.11 0.00 2.47 -1.26 -2.92 114.94 113.12 2ejm s ASN 74 Ca 0.38 -1.20 -0.29 0.00 0.42 0.00 0.00 52.86 52.17 2ejm s ASN 74 Cb -0.09 -0.44 -0.03 0.00 -1.45 0.00 0.00 41.25 39.24 2ejm s ASN 74 CO 0.29 -0.39 1.47 -0.60 -3.72 0.00 0.00 177.10 174.16 2ejm s ARG 75 N -3.74 4.18 0.00 0.43 3.52 -1.26 -3.05 118.95 119.03 2ejm s ARG 75 Ca 0.36 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 57.88 2ejm s ARG 75 Cb 0.05 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 2ejm s ARG 75 CO 0.19 -0.81 0.00 0.72 -0.81 0.00 0.00 175.30 174.59 2ejm n HIS 76 N 6.96 0.00 -4.31 5.12 8.25 -0.35 -4.96 115.22 125.93 2ejm n HIS 76 Ca 0.16 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.39 2ejm n HIS 76 Cb 0.44 -1.96 -0.12 0.00 1.12 0.00 0.00 29.99 29.47 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 -2.92 1.79 -0.15 1.59 -4.23 -1.17 -4.85 115.64 105.70 2ejm s THR 77 Ca 0.00 -1.74 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 2ejm s THR 77 Cb 0.00 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 2ejm s THR 77 CO 0.00 -0.18 1.27 -2.16 -0.54 0.00 0.00 174.62 173.01 2ejm s PRO 78 N -2.35 4.24 -0.20 3.99 0.04 -1.26 -1.22 135.00 138.24 2ejm s PRO 78 Ca 0.11 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 2ejm s PRO 78 Cb -0.08 -3.75 -0.11 0.00 0.04 0.00 0.00 34.50 30.60 2ejm s PRO 78 CO 0.05 -0.69 -0.12 1.28 0.04 0.00 0.00 177.00 177.57 2ejm n LEU 79 N 6.50 1.88 -4.02 -3.56 4.77 -1.06 -4.53 117.00 116.98 2ejm n LEU 79 Ca 0.14 0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 56.46 2ejm n LEU 79 Cb 0.45 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 2ejm n LEU 79 CO 0.56 0.03 -0.38 0.68 -1.33 0.00 0.00 177.39 176.95 2ejm s VAL 80 N -2.45 0.33 0.13 4.08 -7.23 -1.26 -1.57 120.40 112.43 2ejm s VAL 80 Ca -0.27 -0.96 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2ejm s VAL 80 Cb 0.06 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 2ejm s VAL 80 CO 0.43 -0.42 0.13 -0.70 -0.31 0.00 0.00 175.10 174.23 2ejm s GLU 81 N -1.46 2.93 0.17 4.82 2.12 -0.07 -3.77 118.70 123.44 2ejm s GLU 81 Ca -0.12 -0.79 0.06 0.00 0.36 0.00 0.00 54.97 54.48 2ejm s GLU 81 Cb -0.10 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2ejm s GLU 81 CO -0.00 0.52 0.08 -0.06 -0.54 0.00 0.00 175.26 175.25 2ejm s PHE 82 N -1.62 3.02 0.76 5.30 0.08 -1.26 -0.10 117.98 124.16 2ejm s PHE 82 Ca 0.31 -0.07 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 2ejm s PHE 82 Cb -0.11 -1.45 0.05 0.00 -0.57 0.00 0.00 43.02 40.94 2ejm s PHE 82 CO 0.23 0.52 1.08 -1.21 -0.10 0.00 0.00 175.22 175.75 2ejm s GLU 83 N -3.07 2.37 0.24 0.44 0.41 -0.23 -4.48 118.70 114.38 2ejm s GLU 83 Ca 0.30 0.75 -0.17 0.00 -0.41 0.00 0.00 54.97 55.43 2ejm s GLU 83 Cb -0.10 -1.94 -0.08 0.00 -1.78 0.00 0.00 34.13 30.23 2ejm s GLU 83 CO 0.21 -1.45 0.70 -1.21 -0.49 0.00 0.00 175.26 173.03 2ejm s GLU 84 N -5.12 4.13 0.38 1.61 2.02 -1.26 -4.81 118.70 115.65 2ejm s GLU 84 Ca 0.60 0.74 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2ejm s GLU 84 Cb -0.14 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2ejm s GLU 84 CO 0.54 0.33 0.00 -0.85 0.02 0.00 0.00 175.26 175.31 2ejm n GLU 85 N 0.38 0.00 -2.07 1.61 0.28 -1.26 -4.97 120.64 114.62 2ejm n GLU 85 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2ejm n GLU 85 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 2ejm n GLU 85 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ejm n GLU 86 N -0.36 -5.67 -3.70 3.44 4.07 -1.26 -4.96 120.64 112.20 2ejm n GLU 86 Ca 0.00 4.02 -0.11 0.00 -0.06 0.00 0.00 57.16 61.01 2ejm n GLU 86 Cb 0.00 -4.34 -0.10 0.00 -0.06 0.00 0.00 31.44 26.94 2ejm n GLU 86 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2ejm s SER 87 N -0.75 -0.54 -0.90 4.31 0.15 -1.26 -4.84 113.70 109.86 2ejm s SER 87 Ca 0.00 0.94 -0.25 0.00 0.70 0.00 0.00 55.95 57.35 2ejm s SER 87 Cb 0.00 0.86 -0.06 0.00 -1.71 0.00 0.00 66.02 65.10 2ejm s SER 87 CO 0.00 -0.19 2.01 -0.62 1.20 0.00 0.00 173.24 175.65 2ejm s ASP 88 N 1.12 4.94 0.30 5.45 -1.08 -1.26 -4.92 116.67 121.22 2ejm s ASP 88 Ca -0.07 -0.62 -0.29 0.00 -0.52 0.00 0.00 52.55 51.04 2ejm s ASP 88 Cb -0.07 -2.56 -0.10 0.00 -1.46 0.00 0.00 42.92 38.73 2ejm s ASP 88 CO -0.10 -2.94 1.34 -0.54 0.52 0.00 0.00 175.17 173.45 2ejm s LYS 89 N 7.26 4.34 -0.17 4.34 -0.14 -1.26 -4.95 119.74 129.17 2ejm s LYS 89 Ca 0.73 2.22 -0.13 0.00 -1.36 0.00 0.00 55.97 57.43 2ejm s LYS 89 Cb -0.07 -3.09 -0.07 0.00 -1.68 0.00 0.00 37.83 32.92 2ejm s LYS 89 CO 0.01 -0.25 -0.29 -2.13 -0.76 0.00 0.00 175.35 171.94 2ejm n ARG 90 N 1.33 0.45 -3.64 1.68 0.63 -1.26 -5.05 116.66 110.80 2ejm n ARG 90 Ca 0.02 0.19 -0.05 0.00 -0.92 0.00 0.00 57.85 57.08 2ejm n ARG 90 Cb 0.42 -1.28 -0.07 0.00 0.45 0.00 0.00 32.46 31.98 2ejm n ARG 90 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2ejm s GLU 91 N -2.60 0.62 -0.18 -0.14 2.12 -1.26 -5.14 118.70 112.12 2ejm s GLU 91 Ca -0.27 1.10 -0.02 0.00 0.36 0.00 0.00 54.97 56.14 2ejm s GLU 91 Cb 0.07 0.17 0.05 0.00 0.26 0.00 0.00 34.13 34.69 2ejm s GLU 91 CO 0.37 -0.14 0.01 -1.12 -0.54 0.00 0.00 175.26 173.84 2ejm s SER 92 N 1.66 2.85 -0.28 -1.70 0.01 -1.26 -5.10 113.70 109.87 2ejm s SER 92 Ca -0.09 -0.76 -0.20 0.00 1.31 0.00 0.00 55.95 56.21 2ejm s SER 92 Cb -0.05 -0.68 0.12 0.00 0.21 0.00 0.00 66.02 65.62 2ejm s SER 92 CO -0.19 -0.27 0.93 -0.70 0.41 0.00 0.00 173.24 173.42 2ejm s GLU 93 N 1.79 0.51 0.39 12.44 2.12 -1.26 -5.18 118.70 129.51 2ejm s GLU 93 Ca -0.01 0.76 0.08 0.00 0.36 0.00 0.00 54.97 56.16 2ejm s GLU 93 Cb -0.16 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 2ejm s GLU 93 CO -0.07 -0.09 0.22 0.45 -0.54 0.00 0.00 175.26 175.23 2ejm s SER 94 N 0.95 4.71 0.08 -1.70 0.15 -1.26 -4.94 113.70 111.70 2ejm s SER 94 Ca -0.04 -0.86 -0.14 0.00 0.70 0.00 0.00 55.95 55.60 2ejm s SER 94 Cb -0.04 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.68 2ejm s SER 94 CO -0.12 -0.48 0.33 -0.83 1.20 0.00 0.00 173.24 173.34 2ejm s GLY 95 N -3.95 -0.15 0.00 9.45 0.00 -1.26 -5.13 107.32 106.28 2ejm s GLY 95 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2ejm s GLY 95 CO 0.24 -0.33 0.00 -1.55 0.00 0.00 0.00 173.10 171.46 2ejm n PRO 96 N 0.17 -0.45 0.17 2.90 -0.04 -1.26 -5.05 135.00 131.43 2ejm n PRO 96 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2ejm n PRO 96 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 2ejm n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ejm n SER 97 N -2.90 -2.15 0.00 3.54 3.41 -1.26 -5.14 113.62 109.12 2ejm n SER 97 Ca 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2ejm n SER 97 Cb 0.00 2.12 0.00 0.00 -0.26 0.00 0.00 64.21 66.07 2ejm n SER 97 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ejm n SER 98 N -3.34 -0.16 0.00 4.04 2.88 -1.26 -5.35 113.62 110.43 2ejm n SER 98 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2ejm n SER 98 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42