#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 -0.04 -4.52 1.61 7.64 -1.26 -5.11 113.62 111.94 2ejm n SER 2 Ca 0.00 0.40 -0.29 0.00 1.01 0.00 0.00 58.87 59.99 2ejm n SER 2 Cb 0.00 0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 63.39 2ejm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ejm s SER 3 N -5.09 4.05 0.00 6.43 0.01 -1.26 -5.08 113.70 112.76 2ejm s SER 3 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2ejm s SER 3 Cb 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2ejm s SER 3 CO 0.00 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2ejm n GLY 4 N 0.70 0.24 1.94 3.44 0.00 -1.26 -5.10 105.19 105.16 2ejm n GLY 4 Ca -0.15 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2ejm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ejm n SER 5 N 0.00 -0.10 -4.54 1.61 7.64 -1.26 -5.02 113.62 111.95 2ejm n SER 5 Ca 0.00 0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 2ejm n SER 5 Cb 0.00 0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 2ejm n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ejm s SER 6 N -5.05 6.30 0.00 6.43 1.04 -1.26 -4.83 113.70 116.33 2ejm s SER 6 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2ejm s SER 6 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ejm s SER 6 CO 0.00 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.31 2ejm n GLY 7 N 5.20 -2.87 2.73 7.32 0.00 -1.26 -4.97 105.19 111.34 2ejm n GLY 7 Ca 0.04 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.46 0.09 -0.52 1.61 0.11 -1.26 -4.94 120.40 115.03 2ejm s VAL 8 Ca 0.00 0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 2ejm s VAL 8 Cb 0.00 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.60 2ejm s VAL 8 CO 0.00 0.20 0.65 -0.24 -3.33 0.00 0.00 175.10 172.38 2ejm n SER 9 N 5.07 -5.72 -3.35 3.54 2.88 -1.26 -4.99 113.62 109.80 2ejm n SER 9 Ca -0.08 -0.23 0.02 0.00 -1.33 0.00 0.00 58.87 57.25 2ejm n SER 9 Cb 0.50 -2.17 -0.04 0.00 -0.75 0.00 0.00 64.21 61.75 2ejm n SER 9 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ejm s SER 10 N -1.91 -0.43 -0.25 -3.46 0.15 -1.26 -5.15 113.70 101.40 2ejm s SER 10 Ca 0.29 0.59 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 2ejm s SER 10 Cb -0.04 1.48 0.13 0.00 -1.71 0.00 0.00 66.02 65.89 2ejm s SER 10 CO 0.87 -0.08 0.44 -1.10 1.20 0.00 0.00 173.24 174.56 2ejm s GLN 11 N 2.31 0.39 -1.16 5.44 -0.21 -1.26 -5.00 119.66 120.17 2ejm s GLN 11 Ca -0.02 0.78 -0.15 0.00 0.02 0.00 0.00 55.36 55.99 2ejm s GLN 11 Cb -0.04 -0.04 0.15 0.00 1.00 0.00 0.00 33.01 34.08 2ejm s GLN 11 CO -0.17 -0.53 1.40 -1.21 -2.12 0.00 0.00 175.29 172.67 2ejm s GLU 12 N 2.64 3.98 0.08 2.91 0.41 -1.26 -4.98 118.70 122.47 2ejm s GLU 12 Ca 0.10 -2.34 0.05 0.00 -0.41 0.00 0.00 54.97 52.37 2ejm s GLU 12 Cb -0.14 -5.08 -0.04 0.00 -1.78 0.00 0.00 34.13 27.08 2ejm s GLU 12 CO -0.16 -1.82 -0.02 -0.08 -0.49 0.00 0.00 175.26 172.68 2ejm s THR 13 N 2.11 3.90 -0.30 3.63 -1.32 -1.26 -5.11 115.64 117.29 2ejm s THR 13 Ca 0.42 -0.98 -0.15 0.00 -1.21 0.00 0.00 61.69 59.77 2ejm s THR 13 Cb -0.03 -2.83 0.17 0.00 -1.51 0.00 0.00 72.50 68.31 2ejm s THR 13 CO -0.01 0.17 1.01 -1.58 -2.21 0.00 0.00 174.62 172.00 2ejm s GLN 14 N -2.14 0.27 0.00 7.08 0.74 -1.26 -5.04 119.66 119.31 2ejm s GLN 14 Ca 0.24 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.33 2ejm s GLN 14 Cb -0.12 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.40 2ejm s GLN 14 CO 0.16 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 2ejm n GLY 15 N 4.92 -0.29 0.00 2.59 0.00 -1.26 -5.15 105.19 106.00 2ejm n GLY 15 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.01 5.03 3.70 -0.02 0.00 -1.26 -4.44 105.19 107.19 2ejm n GLY 16 Ca 0.00 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.25 4.42 -0.08 1.61 0.04 -1.26 -4.92 135.00 133.56 2ejm s PRO 17 Ca 0.00 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 2ejm s PRO 17 Cb 0.00 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2ejm s PRO 17 CO 0.00 -0.30 0.49 -0.51 0.04 0.00 0.00 177.00 176.72 2ejm s LEU 18 N 1.43 4.33 0.49 -3.56 1.43 -1.26 -2.18 118.68 119.37 2ejm s LEU 18 Ca 0.57 0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 54.35 2ejm s LEU 18 Cb -0.27 -2.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.14 2ejm s LEU 18 CO 0.27 0.06 1.21 0.00 0.23 0.00 0.00 176.35 178.12 2ejm n ALA 19 N 3.25 1.06 0.11 4.21 0.00 -0.41 -4.80 120.51 123.93 2ejm n ALA 19 Ca -0.08 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 2ejm n ALA 19 Cb 0.52 -2.25 0.07 0.00 0.00 0.00 0.00 19.45 17.79 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 1.53 0.00 -1.17 0.00 0.13 -1.93 -2.81 132.00 127.76 2ejm h PRO 20 Ca -0.48 -0.00 0.32 0.00 -0.87 0.00 0.00 66.00 64.96 2ejm h PRO 20 Cb 1.31 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.26 2ejm h PRO 20 CO 0.57 0.75 0.93 1.41 -0.23 0.00 0.00 178.00 181.43 2ejm s MET 21 N -3.31 0.11 -0.26 0.86 -2.45 -1.26 -4.70 119.30 108.30 2ejm s MET 21 Ca -0.01 -0.05 -0.29 0.00 -1.25 0.00 0.00 55.69 54.09 2ejm s MET 21 Cb 0.12 0.05 -0.07 0.00 1.25 0.00 0.00 34.83 36.18 2ejm s MET 21 CO 0.78 -0.05 2.23 2.41 1.05 0.00 0.00 175.02 181.44 2ejm n THR 22 N -0.12 0.29 -2.44 10.11 -1.04 -1.24 -4.59 114.28 115.24 2ejm n THR 22 Ca 0.02 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 2ejm n THR 22 Cb 0.58 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 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 5.96 5.40 2.98 3.41 0.00 -1.23 -4.76 105.19 116.95 2ejm n GLY 23 Ca 0.33 -1.32 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 2ejm n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ejm s THR 24 N 0.22 0.80 -0.25 2.61 2.01 -0.62 -1.69 115.64 118.73 2ejm s THR 24 Ca 0.00 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 2ejm s THR 24 Cb 0.00 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 2ejm s THR 24 CO 0.00 0.27 1.40 -0.63 -0.69 0.00 0.00 174.62 174.97 2ejm s ILE 25 N 0.53 4.01 -0.19 1.82 -1.09 -0.57 -0.15 121.20 125.56 2ejm s ILE 25 Ca -0.09 1.16 -0.17 0.00 -2.23 0.00 0.00 60.65 59.31 2ejm s ILE 25 Cb -0.12 -3.98 -0.14 0.00 -1.58 0.00 0.00 42.46 36.64 2ejm s ILE 25 CO 0.01 -0.36 0.05 1.21 -1.23 0.00 0.00 174.94 174.62 2ejm n GLU 26 N 7.31 0.53 -4.20 2.79 4.07 0.24 0.16 120.64 131.55 2ejm n GLU 26 Ca 0.16 0.54 -0.16 0.00 -0.06 0.00 0.00 57.16 57.64 2ejm n GLU 26 Cb 0.46 -1.71 -0.11 0.00 -0.06 0.00 0.00 31.44 30.02 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 -2.35 0.91 -0.29 5.31 -0.14 -1.01 -4.48 119.74 117.70 2ejm s LYS 27 Ca -0.25 -1.18 -0.03 0.00 -1.36 0.00 0.00 55.97 53.15 2ejm s LYS 27 Cb 0.05 -0.70 0.10 0.00 -1.68 0.00 0.00 37.83 35.60 2ejm s LYS 27 CO 0.47 0.12 0.11 0.08 -0.76 0.00 0.00 175.35 175.38 2ejm s VAL 28 N -2.24 0.33 -0.77 3.17 1.01 -1.26 -0.14 120.40 120.49 2ejm s VAL 28 Ca 0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2ejm s VAL 28 Cb -0.04 -1.25 0.29 0.00 0.00 0.00 0.00 36.38 35.38 2ejm s VAL 28 CO 0.01 -0.68 2.18 0.49 0.00 0.00 0.00 175.10 177.11 2ejm n PHE 29 N 5.08 2.68 -3.93 5.22 3.72 0.36 -4.91 117.46 125.68 2ejm n PHE 29 Ca -0.05 -2.25 -0.11 0.00 -0.05 0.00 0.00 57.45 54.99 2ejm n PHE 29 Cb 0.42 -1.23 -0.02 0.00 -0.94 0.00 0.00 39.48 37.71 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 -0.22 0.00 0.00 -4.37 0.24 -1.22 -4.63 118.33 108.14 2ejm n VAL 30 Ca 0.53 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 2ejm n VAL 30 Cb 0.30 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.00 -2.25 7.34 -0.00 -1.26 -5.08 118.16 116.47 2ejm n LYS 31 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 2ejm n LYS 31 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.47 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 3.03 -1.99 0.58 0.00 -1.26 -2.47 121.76 117.65 2ejm s ALA 32 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2ejm s ALA 32 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2ejm s ALA 32 CO 0.00 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2ejm n GLY 33 N 0.51 1.75 3.96 0.00 0.00 0.41 -4.97 105.19 106.86 2ejm n GLY 33 Ca 0.06 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.78 5.41 -0.06 1.61 2.15 -1.03 -4.87 116.67 117.10 2ejm s ASP 34 Ca 0.00 0.12 0.04 0.00 0.43 0.00 0.00 52.55 53.14 2ejm s ASP 34 Cb 0.00 -1.09 -0.00 0.00 -0.30 0.00 0.00 42.92 41.52 2ejm s ASP 34 CO 0.00 -1.04 -0.20 -0.54 -0.17 0.00 0.00 175.17 173.21 2ejm s LYS 35 N -4.74 2.30 0.39 4.34 -0.14 -1.26 -0.71 119.74 119.91 2ejm s LYS 35 Ca 0.55 -0.73 0.04 0.00 -1.36 0.00 0.00 55.97 54.47 2ejm s LYS 35 Cb -0.10 -1.89 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 2ejm s LYS 35 CO 0.39 0.23 0.13 0.14 -0.76 0.00 0.00 175.35 175.49 2ejm s VAL 36 N 0.15 0.59 -0.03 3.17 -7.23 -1.18 -4.97 120.40 110.89 2ejm s VAL 36 Ca -0.09 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 2ejm s VAL 36 Cb -0.14 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2ejm s VAL 36 CO 0.05 0.00 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.22 2ejm s LYS 37 N -3.73 0.93 -0.50 4.82 1.02 -1.26 -4.01 119.74 117.01 2ejm s LYS 37 Ca 0.27 -0.23 -0.46 0.00 0.02 0.00 0.00 55.97 55.57 2ejm s LYS 37 Cb 0.03 -0.87 -0.20 0.00 -0.52 0.00 0.00 37.83 36.28 2ejm s LYS 37 CO 0.16 0.04 1.74 0.00 -0.92 0.00 0.00 175.35 176.36 2ejm n ALA 38 N 3.58 -0.90 -1.25 5.17 0.00 -1.26 0.34 120.51 126.19 2ejm n ALA 38 Ca -0.21 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2ejm n ALA 38 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 4.96 1.01 3.90 0.00 0.00 -0.25 -4.93 105.19 109.88 2ejm n GLY 39 Ca 0.38 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.60 6.30 -0.98 1.61 1.11 0.15 -4.70 116.67 117.57 2ejm s ASP 40 Ca 0.00 0.30 -0.24 0.00 0.18 0.00 0.00 52.55 52.79 2ejm s ASP 40 Cb 0.00 -1.95 -0.05 0.00 1.07 0.00 0.00 42.92 41.98 2ejm s ASP 40 CO 0.00 0.24 1.93 -0.94 1.18 0.00 0.00 175.17 177.58 2ejm s SER 41 N -2.09 5.16 0.00 0.27 1.04 -1.26 -0.96 113.70 115.86 2ejm s SER 41 Ca 0.29 -0.95 -0.05 0.00 0.48 0.00 0.00 55.95 55.72 2ejm s SER 41 Cb -0.13 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2ejm s SER 41 CO 0.21 -2.79 0.81 -0.07 0.98 0.00 0.00 173.24 172.38 2ejm h LEU 42 N 17.68 -0.15 -8.81 2.42 3.38 -1.12 -3.41 115.31 125.31 2ejm h LEU 42 Ca 0.13 0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.71 2ejm h LEU 42 Cb 0.99 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 2ejm h LEU 42 CO 1.22 -0.08 -0.52 -0.04 0.09 0.00 0.00 178.44 179.10 2ejm s MET 43 N -2.88 1.59 -0.12 1.13 -1.94 -1.04 0.13 119.30 116.18 2ejm s MET 43 Ca -0.03 -1.90 0.01 0.00 -1.71 0.00 0.00 55.69 52.06 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 0.08 -0.58 -0.12 0.08 -0.01 0.00 0.00 175.02 174.47 2ejm s VAL 44 N -3.65 1.35 0.41 -6.03 1.01 0.81 0.19 120.40 114.49 2ejm s VAL 44 Ca 0.40 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2ejm s VAL 44 Cb 0.04 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2ejm s VAL 44 CO 0.23 0.42 0.40 -0.04 0.00 0.00 0.00 175.10 176.11 2ejm s MET 45 N 1.33 2.60 -0.27 2.72 -1.94 -0.97 0.82 119.30 123.59 2ejm s MET 45 Ca -0.00 -1.46 -0.04 0.00 -1.71 0.00 0.00 55.69 52.48 2ejm s MET 45 Cb -0.14 -2.45 0.09 0.00 2.01 0.00 0.00 34.83 34.35 2ejm s MET 45 CO -0.06 -0.17 0.13 0.42 -0.01 0.00 0.00 175.02 175.33 2ejm s ILE 46 N -2.43 -0.08 0.22 2.53 1.01 0.79 -0.61 121.20 122.63 2ejm s ILE 46 Ca 0.48 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2ejm s ILE 46 Cb -0.05 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 2ejm s ILE 46 CO 0.28 -0.66 -0.01 0.00 0.00 0.00 0.00 174.94 174.56 2ejm s ALA 47 N 2.11 1.76 -1.09 9.38 0.00 -0.32 -1.59 121.76 132.01 2ejm s ALA 47 Ca 0.08 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2ejm s ALA 47 Cb -0.16 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2ejm s ALA 47 CO -0.33 -0.25 0.00 -1.33 0.00 0.00 0.00 175.76 173.86 2ejm n MET 48 N -0.39 -1.68 -1.29 0.00 2.81 -1.26 0.20 117.12 115.50 2ejm n MET 48 Ca -0.05 0.61 -0.10 0.00 -1.81 0.00 0.00 57.70 56.35 2ejm n MET 48 Cb 0.64 -4.98 -0.04 0.00 -0.71 0.00 0.00 33.22 28.13 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 -2.17 -0.97 -4.43 0.03 4.76 -1.26 -4.98 118.16 109.15 2ejm n LYS 49 Ca -0.12 0.81 -0.22 0.00 -2.87 0.00 0.00 58.31 55.92 2ejm n LYS 49 Cb 0.46 -4.83 -0.13 0.00 -1.84 0.00 0.00 35.03 28.69 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 -2.68 1.07 0.38 1.97 1.75 0.53 -5.13 119.30 117.18 2ejm s MET 50 Ca 0.00 -0.82 -0.24 0.00 -1.25 0.00 0.00 55.69 53.38 2ejm s MET 50 Cb 0.00 -1.11 -0.09 0.00 2.84 0.00 0.00 34.83 36.46 2ejm s MET 50 CO 0.00 0.28 1.01 -1.21 -0.65 0.00 0.00 175.02 174.44 2ejm s GLU 51 N -1.17 4.29 0.12 4.11 2.02 -1.26 -1.18 118.70 125.63 2ejm s GLU 51 Ca 0.03 1.41 0.03 0.00 0.02 0.00 0.00 54.97 56.46 2ejm s GLU 51 Cb -0.08 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 2ejm s GLU 51 CO 0.01 -0.01 -0.08 -1.01 0.02 0.00 0.00 175.26 174.19 2ejm s HIS 52 N -1.72 1.06 -0.29 1.61 3.76 0.22 -4.92 115.29 115.01 2ejm s HIS 52 Ca 0.56 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.64 2ejm s HIS 52 Cb -0.19 -0.57 0.07 0.00 1.11 0.00 0.00 32.58 32.99 2ejm s HIS 52 CO 0.24 -0.05 -0.05 0.99 -0.85 0.00 0.00 174.74 175.02 2ejm s THR 53 N -3.50 2.38 -0.73 1.30 2.01 -1.26 -2.30 115.64 113.54 2ejm s THR 53 Ca 0.14 -1.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.14 2ejm s THR 53 Cb 0.04 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 70.08 2ejm s THR 53 CO -0.02 -0.17 1.59 -0.63 -0.69 0.00 0.00 174.62 174.69 2ejm s ILE 54 N 1.09 3.57 0.40 1.82 -1.09 0.13 -4.97 121.20 122.15 2ejm s ILE 54 Ca -0.04 0.15 -0.07 0.00 -2.23 0.00 0.00 60.65 58.46 2ejm s ILE 54 Cb -0.20 -4.46 -0.05 0.00 -1.58 0.00 0.00 42.46 36.17 2ejm s ILE 54 CO -0.05 -1.41 0.71 -0.54 -1.23 0.00 0.00 174.94 172.43 2ejm s LYS 55 N 6.31 3.65 0.17 2.79 -0.14 -1.26 -0.61 119.74 130.65 2ejm s LYS 55 Ca 0.52 0.23 -0.30 0.00 -1.36 0.00 0.00 55.97 55.06 2ejm s LYS 55 Cb -0.09 -2.46 -0.07 0.00 -1.68 0.00 0.00 37.83 33.53 2ejm s LYS 55 CO 0.14 -0.02 0.96 0.45 -0.76 0.00 0.00 175.35 176.11 2ejm s SER 56 N -3.51 7.55 0.23 2.83 0.15 -0.13 -4.81 113.70 116.00 2ejm s SER 56 Ca 0.48 1.87 0.10 0.00 0.70 0.00 0.00 55.95 59.10 2ejm s SER 56 Cb -0.10 -2.60 0.18 0.00 -1.71 0.00 0.00 66.02 61.78 2ejm s SER 56 CO 0.36 0.02 1.50 1.55 1.20 0.00 0.00 173.24 177.87 2ejm h PRO 57 N 4.95 0.00 -2.84 5.44 0.13 -1.93 -0.64 132.00 137.12 2ejm h PRO 57 Ca -0.44 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.78 2ejm h PRO 57 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2ejm h PRO 57 CO 0.70 0.73 0.29 -1.59 -0.23 0.00 0.00 178.00 177.91 2ejm s LYS 58 N -3.30 1.61 0.39 0.86 -2.85 -1.26 -4.77 119.74 110.42 2ejm s LYS 58 Ca -0.00 -0.87 -0.21 0.00 -1.00 0.00 0.00 55.97 53.88 2ejm s LYS 58 Cb 0.12 0.56 -0.10 0.00 -2.06 0.00 0.00 37.83 36.34 2ejm s LYS 58 CO 0.78 -0.73 0.91 0.16 0.10 0.00 0.00 175.35 176.57 2ejm s ASP 59 N -2.91 6.98 0.00 0.03 1.47 -1.26 -4.15 116.67 116.84 2ejm s ASP 59 Ca 0.11 1.65 0.00 0.00 1.18 0.00 0.00 52.55 55.48 2ejm s ASP 59 Cb -0.05 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 2ejm s ASP 59 CO 0.04 -0.28 0.00 0.61 0.68 0.00 0.00 175.17 176.22 2ejm n GLY 60 N -0.37 1.83 3.52 2.12 0.00 -1.26 -4.92 105.19 106.13 2ejm n GLY 60 Ca 0.05 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 4.55 -0.49 2.61 2.01 -1.26 -3.13 115.64 117.93 2ejm s THR 61 Ca 0.00 0.29 -0.38 0.00 0.31 0.00 0.00 61.69 61.92 2ejm s THR 61 Cb 0.00 -4.42 -0.15 0.00 0.01 0.00 0.00 72.50 67.94 2ejm s THR 61 CO 0.00 -0.90 2.24 0.52 -0.69 0.00 0.00 174.62 175.80 2ejm n VAL 62 N 6.13 0.08 0.35 3.82 0.31 0.11 -2.23 118.33 126.89 2ejm n VAL 62 Ca 0.01 -0.15 -0.15 0.00 -0.01 0.00 0.00 64.34 64.04 2ejm n VAL 62 Cb 0.48 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.21 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 11.40 -0.88 -1.84 5.55 3.64 -0.14 1.19 116.57 135.49 2ejm h LYS 63 Ca -0.18 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2ejm h LYS 63 Cb 1.36 0.20 -0.21 0.00 -0.41 0.00 0.00 32.23 33.17 2ejm h LYS 63 CO 1.10 -0.56 0.31 0.21 -2.27 0.00 0.00 179.45 178.23 2ejm s LYS 64 N -4.79 0.87 -0.04 1.90 2.36 -1.16 -3.63 119.74 115.24 2ejm s LYS 64 Ca -0.14 0.31 -0.12 0.00 -2.55 0.00 0.00 55.97 53.47 2ejm s LYS 64 Cb 0.02 0.41 -0.05 0.00 -1.05 0.00 0.00 37.83 37.16 2ejm s LYS 64 CO 0.45 -0.25 0.31 0.08 1.55 0.00 0.00 175.35 177.49 2ejm s VAL 65 N -0.94 5.21 -0.13 4.02 1.01 -1.26 -2.05 120.40 126.26 2ejm s VAL 65 Ca -0.06 0.60 0.18 0.00 0.00 0.00 0.00 61.98 62.70 2ejm s VAL 65 Cb -0.01 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 2ejm s VAL 65 CO 0.06 0.59 0.38 0.49 0.00 0.00 0.00 175.10 176.62 2ejm n PHE 66 N 1.87 0.32 -4.47 5.22 3.72 -0.50 -4.95 117.46 118.67 2ejm n PHE 66 Ca -0.16 0.11 -0.29 0.00 -0.05 0.00 0.00 57.45 57.05 2ejm n PHE 66 Cb 0.53 -0.94 -0.13 0.00 -0.94 0.00 0.00 39.48 38.01 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 -2.81 2.34 0.15 1.38 1.51 -1.23 -5.10 117.35 113.60 2ejm s TYR 67 Ca -0.07 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2ejm s TYR 67 Cb 0.08 -1.29 -0.00 0.00 -0.11 0.00 0.00 41.96 40.64 2ejm s TYR 67 CO 0.84 0.31 0.03 0.54 -1.11 0.00 0.00 175.55 176.15 2ejm n ARG 68 N 1.06 1.18 -1.66 -0.62 1.74 -1.26 -5.05 116.66 112.04 2ejm n ARG 68 Ca -0.18 -1.18 -0.39 0.00 -0.77 0.00 0.00 57.85 55.34 2ejm n ARG 68 Cb 0.53 0.49 0.04 0.00 -1.02 0.00 0.00 32.46 32.50 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 -0.36 1.28 -3.95 5.56 1.02 -1.26 -2.81 120.64 120.12 2ejm n GLU 69 Ca -0.04 0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 57.22 2ejm n GLU 69 Cb 0.21 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 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 1.06 -0.66 3.63 0.62 0.00 0.43 -4.93 105.19 105.34 2ejm n GLY 70 Ca 0.12 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.71 3.22 -0.33 4.61 0.00 -1.12 -4.87 121.76 119.55 2ejm s ALA 71 Ca 0.32 -2.15 -0.10 0.00 0.00 0.00 0.00 51.96 50.03 2ejm s ALA 71 Cb -0.14 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2ejm s ALA 71 CO 0.92 -0.05 0.17 -0.65 0.00 0.00 0.00 175.76 176.15 2ejm s GLN 72 N -3.73 3.13 0.50 0.00 -0.21 -1.26 -1.52 119.66 116.57 2ejm s GLN 72 Ca 0.36 -0.86 -0.03 0.00 0.02 0.00 0.00 55.36 54.85 2ejm s GLN 72 Cb 0.05 -3.61 -0.00 0.00 1.00 0.00 0.00 33.01 30.44 2ejm s GLN 72 CO 0.19 -0.52 0.77 0.00 -2.12 0.00 0.00 175.29 173.61 2ejm s ALA 73 N 1.58 3.53 0.39 6.09 0.00 -0.68 -4.97 121.76 127.70 2ejm s ALA 73 Ca 0.03 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.23 2ejm s ALA 73 Cb -0.18 -2.38 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 2ejm s ALA 73 CO 0.06 -0.52 0.06 -0.80 0.00 0.00 0.00 175.76 174.56 2ejm s ASN 74 N -4.23 4.11 -0.88 0.00 0.01 -1.26 -3.52 114.94 109.17 2ejm s ASN 74 Ca 0.50 -1.18 -0.23 0.00 -0.71 0.00 0.00 52.86 51.24 2ejm s ASN 74 Cb -0.10 -0.45 0.07 0.00 0.41 0.00 0.00 41.25 41.17 2ejm s ASN 74 CO 0.42 -0.41 1.27 -0.60 -1.51 0.00 0.00 177.10 176.26 2ejm s ARG 75 N -3.77 3.42 0.00 -0.60 3.52 -1.26 -3.73 118.95 116.53 2ejm s ARG 75 Ca 0.37 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 2ejm s ARG 75 Cb 0.05 -4.81 0.00 0.00 -1.56 0.00 0.00 34.95 28.63 2ejm s ARG 75 CO 0.20 -2.04 0.00 0.72 -0.81 0.00 0.00 175.30 173.36 2ejm n HIS 76 N 8.33 0.00 -4.02 5.12 8.25 -1.06 -4.94 115.22 126.90 2ejm n HIS 76 Ca 0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.56 2ejm n HIS 76 Cb 0.49 -0.85 -0.11 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.40 0.15 -0.50 1.59 -1.32 -1.26 -4.85 115.64 107.05 2ejm s THR 77 Ca 0.00 -1.26 -0.28 0.00 -1.21 0.00 0.00 61.69 58.94 2ejm s THR 77 Cb 0.00 -0.76 0.01 0.00 -1.51 0.00 0.00 72.50 70.24 2ejm s THR 77 CO 0.00 -0.69 1.47 -2.16 -2.21 0.00 0.00 174.62 171.02 2ejm s PRO 78 N -2.43 3.34 -0.05 7.08 0.04 -1.26 -1.29 135.00 140.44 2ejm s PRO 78 Ca -0.07 0.68 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 2ejm s PRO 78 Cb -0.03 -4.12 -0.19 0.00 0.04 0.00 0.00 34.50 30.20 2ejm s PRO 78 CO -0.05 -1.87 1.05 -0.07 0.04 0.00 0.00 177.00 176.10 2ejm h LEU 79 N 13.08 -0.08 -8.87 -3.56 3.38 -1.79 -3.44 115.31 114.03 2ejm h LEU 79 Ca -0.27 -0.51 -0.39 0.00 0.09 0.00 0.00 57.88 56.80 2ejm h LEU 79 Cb 1.11 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 2ejm h LEU 79 CO 1.14 0.51 -0.68 0.68 0.09 0.00 0.00 178.44 180.18 2ejm s VAL 80 N -3.66 1.21 -0.10 1.22 -7.23 -1.26 -1.41 120.40 109.17 2ejm s VAL 80 Ca -0.15 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 57.97 2ejm s VAL 80 Cb 0.01 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2ejm s VAL 80 CO 0.60 -0.44 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.09 2ejm s GLU 81 N -3.80 2.29 0.44 4.82 2.12 -0.87 -4.01 118.70 119.69 2ejm s GLU 81 Ca 0.25 -0.60 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 2ejm s GLU 81 Cb 0.04 -1.88 -0.07 0.00 0.26 0.00 0.00 34.13 32.48 2ejm s GLU 81 CO 0.07 0.00 0.86 -0.06 -0.54 0.00 0.00 175.26 175.59 2ejm s PHE 82 N 0.80 3.45 0.85 5.30 0.08 -1.26 0.57 117.98 127.76 2ejm s PHE 82 Ca -0.11 1.24 -0.11 0.00 0.12 0.00 0.00 56.93 58.07 2ejm s PHE 82 Cb -0.16 -2.60 0.10 0.00 -0.57 0.00 0.00 43.02 39.80 2ejm s PHE 82 CO 0.01 -0.19 1.09 -1.21 -0.10 0.00 0.00 175.22 174.82 2ejm s GLU 83 N -3.85 1.68 -0.29 0.44 0.41 -0.95 -4.65 118.70 111.50 2ejm s GLU 83 Ca 0.55 0.75 -0.28 0.00 -0.41 0.00 0.00 54.97 55.58 2ejm s GLU 83 Cb -0.10 -1.86 -0.03 0.00 -1.78 0.00 0.00 34.13 30.36 2ejm s GLU 83 CO 0.30 -1.93 1.95 -1.21 -0.49 0.00 0.00 175.26 173.87 2ejm s GLU 84 N -5.03 3.27 0.72 1.61 2.02 -1.26 -4.88 118.70 115.15 2ejm s GLU 84 Ca 0.62 1.65 -0.16 0.00 0.02 0.00 0.00 54.97 57.10 2ejm s GLU 84 Cb -0.16 -4.26 -0.06 0.00 0.10 0.00 0.00 34.13 29.75 2ejm s GLU 84 CO 0.56 -1.93 0.32 -0.85 0.02 0.00 0.00 175.26 173.37 2ejm n GLU 85 N 8.53 0.22 -3.70 1.61 0.00 -1.26 -4.96 120.64 121.07 2ejm n GLU 85 Ca 0.25 0.10 -0.28 0.00 0.00 0.00 0.00 57.16 57.23 2ejm n GLU 85 Cb 0.46 -1.64 -0.12 0.00 0.00 0.00 0.00 31.44 30.14 2ejm n GLU 85 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2ejm s GLU 86 N -2.46 1.63 -0.44 3.44 2.02 -1.26 -5.07 118.70 116.56 2ejm s GLU 86 Ca 0.62 -2.53 -0.22 0.00 0.02 0.00 0.00 54.97 52.86 2ejm s GLU 86 Cb -0.35 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.38 2ejm s GLU 86 CO 0.62 -1.26 0.70 -1.12 0.02 0.00 0.00 175.26 174.21 2ejm s SER 87 N -0.39 6.37 -0.32 -0.19 0.01 -1.26 -4.96 113.70 112.95 2ejm s SER 87 Ca 0.24 -0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.35 2ejm s SER 87 Cb -0.10 -2.35 0.19 0.00 0.21 0.00 0.00 66.02 63.97 2ejm s SER 87 CO -0.11 -0.82 0.56 -0.62 0.41 0.00 0.00 173.24 172.66 2ejm s ASP 88 N 2.04 -1.09 0.31 2.44 2.15 -1.26 -5.13 116.67 116.12 2ejm s ASP 88 Ca 0.26 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.98 2ejm s ASP 88 Cb -0.13 1.77 0.00 0.00 -0.30 0.00 0.00 42.92 44.26 2ejm s ASP 88 CO 0.20 -0.28 0.00 1.17 -0.17 0.00 0.00 175.17 176.10 2ejm n LYS 89 N 5.09 -2.41 -1.51 4.34 0.00 -1.26 -5.03 118.16 117.38 2ejm n LYS 89 Ca 0.06 1.66 0.00 0.00 0.00 0.00 0.00 58.31 60.03 2ejm n LYS 89 Cb 0.53 -2.92 0.00 0.00 0.00 0.00 0.00 35.03 32.64 2ejm n LYS 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2ejm n ARG 90 N -3.73 -3.98 -2.32 1.64 1.74 -1.26 -4.99 116.66 103.77 2ejm n ARG 90 Ca -0.00 3.09 -0.04 0.00 -0.77 0.00 0.00 57.85 60.12 2ejm n ARG 90 Cb 0.54 -3.85 -0.04 0.00 -1.02 0.00 0.00 32.46 28.09 2ejm n ARG 90 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ejm n GLU 91 N -2.54 -3.54 -4.09 5.56 4.71 -1.26 -5.01 120.64 114.47 2ejm n GLU 91 Ca 0.00 2.78 -0.34 0.00 -0.01 0.00 0.00 57.16 59.58 2ejm n GLU 91 Cb 0.46 -4.09 -0.14 0.00 -1.01 0.00 0.00 31.44 26.65 2ejm n GLU 91 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2ejm s SER 92 N -0.50 4.07 -0.54 1.62 1.04 -1.26 -5.06 113.70 113.06 2ejm s SER 92 Ca -0.22 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 2ejm s SER 92 Cb 0.01 -1.68 0.14 0.00 0.10 0.00 0.00 66.02 64.60 2ejm s SER 92 CO 0.59 0.02 0.33 -0.70 0.98 0.00 0.00 173.24 174.45 2ejm s GLU 93 N 1.25 2.26 -0.05 4.02 2.12 -1.26 -5.04 118.70 122.00 2ejm s GLU 93 Ca 0.03 -2.38 -0.29 0.00 0.36 0.00 0.00 54.97 52.68 2ejm s GLU 93 Cb -0.14 -3.58 0.11 0.00 0.26 0.00 0.00 34.13 30.78 2ejm s GLU 93 CO -0.03 -1.12 0.92 0.45 -0.54 0.00 0.00 175.26 174.93 2ejm s SER 94 N 0.68 -0.37 0.15 -1.70 0.15 -1.26 -5.18 113.70 106.18 2ejm s SER 94 Ca 0.15 0.11 0.08 0.00 0.70 0.00 0.00 55.95 57.00 2ejm s SER 94 Cb -0.22 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 2ejm s SER 94 CO -0.03 -0.55 -0.18 -0.83 1.20 0.00 0.00 173.24 172.85 2ejm s GLY 95 N -2.13 1.36 -0.29 9.45 0.00 -1.26 -5.10 107.32 109.36 2ejm s GLY 95 Ca 0.03 -1.45 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 2ejm s GLY 95 CO -0.06 -1.49 1.34 2.56 0.00 0.00 0.00 173.10 175.45 2ejm s PRO 96 N -2.67 3.90 0.67 2.90 0.04 -1.26 -5.00 135.00 133.58 2ejm s PRO 96 Ca 0.14 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 2ejm s PRO 96 Cb -0.06 -3.90 -0.00 0.00 0.04 0.00 0.00 34.50 30.58 2ejm s PRO 96 CO 0.06 -1.14 1.06 -1.12 0.04 0.00 0.00 177.00 175.91 2ejm s SER 97 N 2.97 5.44 -0.30 6.66 0.01 -1.26 -5.06 113.70 122.16 2ejm s SER 97 Ca 0.58 1.68 -0.06 0.00 1.31 0.00 0.00 55.95 59.46 2ejm s SER 97 Cb -0.18 -2.51 0.18 0.00 0.21 0.00 0.00 66.02 63.73 2ejm s SER 97 CO 0.24 -1.40 0.78 -0.55 0.41 0.00 0.00 173.24 172.71 2ejm s SER 98 N -3.49 -1.02 0.00 2.44 0.15 -1.26 -5.35 113.70 105.17 2ejm s SER 98 Ca 0.60 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2ejm s SER 98 Cb -0.15 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 2ejm s SER 98 CO 0.50 -0.19 0.37 0.61 1.20 0.00 0.00 173.24 175.73