#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 1.39 0.08 1.61 1.04 -1.26 -5.17 113.70 111.40 2ejm s SER 2 Ca 0.00 -1.36 0.03 0.00 0.48 0.00 0.00 55.95 55.11 2ejm s SER 2 Cb 0.00 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 2ejm s SER 2 CO 0.00 -0.69 -0.10 -0.94 0.98 0.00 0.00 173.24 172.49 2ejm s SER 3 N -3.33 1.35 0.00 7.02 1.04 -1.26 -5.00 113.70 113.52 2ejm s SER 3 Ca 0.36 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2ejm s SER 3 Cb 0.08 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2ejm s SER 3 CO 0.13 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2ejm n GLY 4 N 0.78 1.14 5.24 7.32 0.00 -1.26 -5.04 105.19 113.38 2ejm n GLY 4 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -4.76 1.61 7.64 -1.26 -4.82 113.62 112.03 2ejm n SER 5 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 2ejm n SER 5 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2ejm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ejm s SER 6 N -1.74 4.77 0.00 6.43 0.01 -1.26 -5.01 113.70 116.91 2ejm s SER 6 Ca 0.00 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2ejm s SER 6 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2ejm s SER 6 CO 0.00 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.40 2ejm n GLY 7 N -0.39 -1.68 2.60 3.44 0.00 -1.26 -4.77 105.19 103.12 2ejm n GLY 7 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.18 -0.12 1.61 1.01 -1.26 -5.09 120.40 116.72 2ejm s VAL 8 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2ejm s VAL 8 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2ejm s VAL 8 CO 0.00 -0.69 -0.17 -0.55 0.00 0.00 0.00 175.10 173.69 2ejm s SER 9 N 1.98 2.66 -0.33 3.32 0.15 -1.26 -4.88 113.70 115.33 2ejm s SER 9 Ca 0.09 -0.48 -0.19 0.00 0.70 0.00 0.00 55.95 56.06 2ejm s SER 9 Cb -0.16 -1.20 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 2ejm s SER 9 CO -0.32 0.03 0.42 -1.54 1.20 0.00 0.00 173.24 173.03 2ejm n SER 10 N 4.17 -6.75 -3.94 5.45 3.41 -1.26 -4.95 113.62 109.76 2ejm n SER 10 Ca -0.19 0.38 -0.30 0.00 -0.26 0.00 0.00 58.87 58.50 2ejm n SER 10 Cb 0.51 -3.18 -0.14 0.00 -0.26 0.00 0.00 64.21 61.15 2ejm n SER 10 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2ejm s GLN 11 N -2.08 2.04 0.18 4.33 2.00 -1.26 -4.74 119.66 120.12 2ejm s GLN 11 Ca 0.21 -2.73 0.00 0.00 -2.00 0.00 0.00 55.36 50.84 2ejm s GLN 11 Cb -0.03 -3.32 0.00 0.00 0.80 0.00 0.00 33.01 30.46 2ejm s GLN 11 CO 0.66 -1.14 0.00 -1.91 -0.50 0.00 0.00 175.29 172.40 2ejm n GLU 12 N 2.93 0.00 -3.74 1.67 2.13 -1.26 -5.16 120.64 117.21 2ejm n GLU 12 Ca 0.07 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.79 2ejm n GLU 12 Cb 0.33 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.97 2ejm n GLU 12 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2ejm s THR 13 N -2.00 0.10 -0.12 6.31 -1.32 -1.26 -5.18 115.64 112.18 2ejm s THR 13 Ca 0.00 -0.82 -0.32 0.00 -1.21 0.00 0.00 61.69 59.34 2ejm s THR 13 Cb 0.00 -1.19 0.12 0.00 -1.51 0.00 0.00 72.50 69.93 2ejm s THR 13 CO 0.00 -0.45 1.07 -1.58 -2.21 0.00 0.00 174.62 171.45 2ejm s GLN 14 N -3.57 0.52 0.00 7.08 0.74 -1.26 -5.06 119.66 118.11 2ejm s GLN 14 Ca 0.02 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.26 2ejm s GLN 14 Cb 0.02 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.38 2ejm s GLN 14 CO -0.10 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.83 2ejm n GLY 15 N -0.09 -0.57 1.36 2.59 0.00 -1.26 -5.09 105.19 102.13 2ejm n GLY 15 Ca -0.04 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.34 3.82 -0.02 0.00 -1.26 -4.79 105.19 101.60 2ejm n GLY 16 Ca 0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 -4.02 2.69 -0.04 1.61 0.04 -1.25 -4.98 135.00 129.04 2ejm s PRO 17 Ca 0.27 0.86 0.06 0.00 0.04 0.00 0.00 61.00 62.23 2ejm s PRO 17 Cb -0.01 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2ejm s PRO 17 CO 0.19 -1.25 -0.24 -0.51 0.04 0.00 0.00 177.00 175.23 2ejm s LEU 18 N -5.61 2.05 0.45 -3.56 1.43 -1.26 -3.20 118.68 108.97 2ejm s LEU 18 Ca 0.59 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 2ejm s LEU 18 Cb -0.14 -1.30 -0.09 0.00 0.03 0.00 0.00 46.19 44.68 2ejm s LEU 18 CO 0.55 0.25 1.15 0.00 0.23 0.00 0.00 176.35 178.54 2ejm n ALA 19 N 2.83 0.81 -0.01 4.21 0.00 0.06 -4.75 120.51 123.65 2ejm n ALA 19 Ca -0.17 0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 2ejm n ALA 19 Cb 0.52 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 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 1.67 0.36 -3.34 0.00 0.13 -1.92 -0.93 132.00 127.97 2ejm h PRO 20 Ca -0.47 -0.35 -0.05 0.00 -0.87 0.00 0.00 66.00 64.26 2ejm h PRO 20 Cb 1.32 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 32.41 2ejm h PRO 20 CO 0.58 1.02 -0.03 1.41 -0.23 0.00 0.00 178.00 180.74 2ejm s MET 21 N -3.35 1.11 -0.33 0.86 -2.45 -1.26 -4.47 119.30 109.41 2ejm s MET 21 Ca -0.14 -0.68 -0.27 0.00 -1.25 0.00 0.00 55.69 53.34 2ejm s MET 21 Cb 0.03 0.49 -0.05 0.00 1.25 0.00 0.00 34.83 36.55 2ejm s MET 21 CO 0.80 -0.45 2.20 0.99 1.05 0.00 0.00 175.02 179.61 2ejm s THR 22 N -3.80 3.08 0.00 10.11 2.01 -1.26 -4.54 115.64 121.24 2ejm s THR 22 Ca 0.03 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2ejm s THR 22 Cb 0.01 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.38 2ejm s THR 22 CO -0.12 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 2ejm n GLY 23 N 5.79 4.80 3.20 4.40 0.00 -1.22 -4.71 105.19 117.45 2ejm n GLY 23 Ca 0.30 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.32 1.60 0.04 2.61 2.01 0.19 -2.24 115.64 118.52 2ejm s THR 24 Ca 0.00 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 2ejm s THR 24 Cb 0.00 -1.35 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 2ejm s THR 24 CO 0.00 0.45 1.45 -0.63 -0.69 0.00 0.00 174.62 175.21 2ejm s ILE 25 N -0.28 3.49 -0.23 1.82 -1.09 -0.41 0.18 121.20 124.67 2ejm s ILE 25 Ca 0.03 0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 59.26 2ejm s ILE 25 Cb -0.10 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.09 2ejm s ILE 25 CO 0.01 0.01 -0.30 1.21 -1.23 0.00 0.00 174.94 174.64 2ejm n GLU 26 N 5.15 0.49 -4.08 2.79 2.13 0.50 -0.41 120.64 127.21 2ejm n GLU 26 Ca 0.13 0.22 -0.14 0.00 0.66 0.00 0.00 57.16 58.03 2ejm n GLU 26 Cb 0.43 -1.33 -0.13 0.00 0.27 0.00 0.00 31.44 30.68 2ejm n GLU 26 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ejm s LYS 27 N -2.44 0.44 -0.38 5.31 -0.14 -1.02 -4.68 119.74 116.84 2ejm s LYS 27 Ca -0.33 -0.48 0.02 0.00 -1.36 0.00 0.00 55.97 53.82 2ejm s LYS 27 Cb 0.12 -0.29 0.11 0.00 -1.68 0.00 0.00 37.83 36.09 2ejm s LYS 27 CO 0.41 0.06 0.14 0.08 -0.76 0.00 0.00 175.35 175.28 2ejm s VAL 28 N -0.81 1.60 -0.65 3.17 1.01 -1.26 0.18 120.40 123.64 2ejm s VAL 28 Ca -0.05 -2.18 -0.03 0.00 0.00 0.00 0.00 61.98 59.72 2ejm s VAL 28 Cb -0.06 -2.16 0.23 0.00 0.00 0.00 0.00 36.38 34.39 2ejm s VAL 28 CO 0.00 -0.73 2.34 0.49 0.00 0.00 0.00 175.10 177.20 2ejm n PHE 29 N 4.14 2.36 -3.71 5.22 3.72 0.20 -4.90 117.46 124.50 2ejm n PHE 29 Ca 0.03 -2.19 -0.02 0.00 -0.05 0.00 0.00 57.45 55.22 2ejm n PHE 29 Cb 0.39 -1.28 -0.01 0.00 -0.94 0.00 0.00 39.48 37.65 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 0.06 0.00 -3.10 -4.37 0.24 -1.21 -4.65 118.33 105.31 2ejm n VAL 30 Ca 0.51 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2ejm n VAL 30 Cb 0.40 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.09 -1.04 -3.73 7.34 -0.00 -1.26 -5.10 118.16 114.28 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 0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.06 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 -1.14 0.58 0.00 -1.26 -4.14 121.76 118.60 2ejm s ALA 32 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2ejm s ALA 32 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.98 2ejm s ALA 32 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2ejm n GLY 33 N 2.00 0.21 4.02 0.00 0.00 0.32 -4.99 105.19 106.75 2ejm n GLY 33 Ca -0.18 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.54 5.43 -0.05 1.61 2.15 -1.22 -4.93 116.67 117.12 2ejm s ASP 34 Ca 0.00 -0.60 0.04 0.00 0.43 0.00 0.00 52.55 52.43 2ejm s ASP 34 Cb 0.00 -0.29 -0.00 0.00 -0.30 0.00 0.00 42.92 42.33 2ejm s ASP 34 CO 0.00 -0.98 -0.18 -0.54 -0.17 0.00 0.00 175.17 173.30 2ejm s LYS 35 N -4.46 1.94 0.26 4.34 3.01 -1.26 -2.61 119.74 120.96 2ejm s LYS 35 Ca 0.57 -0.64 0.03 0.00 -1.01 0.00 0.00 55.97 54.91 2ejm s LYS 35 Cb -0.08 -1.65 -0.05 0.00 -1.01 0.00 0.00 37.83 35.03 2ejm s LYS 35 CO 0.35 0.24 0.05 0.14 0.51 0.00 0.00 175.35 176.64 2ejm s VAL 36 N 0.08 0.85 -0.05 3.17 -7.23 -1.15 -5.02 120.40 111.05 2ejm s VAL 36 Ca -0.05 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2ejm s VAL 36 Cb -0.12 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 2ejm s VAL 36 CO 0.03 -0.14 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.96 2ejm s LYS 37 N -3.94 1.95 -0.49 4.82 -0.14 -1.26 -3.94 119.74 116.74 2ejm s LYS 37 Ca 0.33 -0.64 -0.45 0.00 -1.36 0.00 0.00 55.97 53.86 2ejm s LYS 37 Cb 0.07 -1.65 -0.19 0.00 -1.68 0.00 0.00 37.83 34.38 2ejm s LYS 37 CO 0.12 0.23 1.87 0.00 -0.76 0.00 0.00 175.35 176.80 2ejm n ALA 38 N 3.24 -0.56 -0.81 5.17 0.00 -1.26 -1.32 120.51 124.97 2ejm n ALA 38 Ca -0.19 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2ejm n ALA 38 Cb 0.53 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 5.70 0.80 3.52 0.00 0.00 -1.09 -4.96 105.19 109.16 2ejm n GLY 39 Ca 0.42 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.11 4.09 -0.98 1.61 1.11 -0.43 -4.84 116.67 115.11 2ejm s ASP 40 Ca 0.00 -0.44 -0.24 0.00 0.18 0.00 0.00 52.55 52.05 2ejm s ASP 40 Cb 0.00 -0.70 -0.01 0.00 1.07 0.00 0.00 42.92 43.28 2ejm s ASP 40 CO 0.00 0.20 1.76 -0.44 1.18 0.00 0.00 175.17 177.87 2ejm s SER 41 N -1.94 5.70 0.00 0.27 0.01 -1.26 -1.64 113.70 114.83 2ejm s SER 41 Ca 0.18 -1.10 -0.00 0.00 1.31 0.00 0.00 55.95 56.34 2ejm s SER 41 Cb -0.11 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 2ejm s SER 41 CO 0.10 -2.25 0.83 -0.07 0.41 0.00 0.00 173.24 172.26 2ejm h LEU 42 N 15.80 -0.01 -8.80 2.44 3.38 -1.66 -3.41 115.31 123.05 2ejm h LEU 42 Ca 0.16 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.73 2ejm h LEU 42 Cb 1.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 2ejm h LEU 42 CO 1.30 -0.00 -0.53 -0.04 0.09 0.00 0.00 178.44 179.26 2ejm s MET 43 N -2.67 1.58 -0.04 1.13 -1.94 -1.25 0.62 119.30 116.73 2ejm s MET 43 Ca -0.00 -1.89 0.05 0.00 -1.71 0.00 0.00 55.69 52.14 2ejm s MET 43 Cb 0.00 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 37.14 2ejm s MET 43 CO 0.00 -0.57 -0.19 0.08 -0.01 0.00 0.00 175.02 174.34 2ejm s VAL 44 N -3.67 1.52 0.36 -6.03 1.01 0.49 -1.93 120.40 112.15 2ejm s VAL 44 Ca 0.40 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2ejm s VAL 44 Cb 0.04 -1.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 2ejm s VAL 44 CO 0.23 0.43 -0.04 -0.04 0.00 0.00 0.00 175.10 175.68 2ejm s MET 45 N -0.11 1.82 -0.15 2.72 -1.94 -0.81 0.19 119.30 121.02 2ejm s MET 45 Ca -0.01 -1.98 -0.04 0.00 -1.71 0.00 0.00 55.69 51.95 2ejm s MET 45 Cb -0.11 -1.54 0.05 0.00 2.01 0.00 0.00 34.83 35.25 2ejm s MET 45 CO 0.02 0.03 0.08 0.42 -0.01 0.00 0.00 175.02 175.55 2ejm s ILE 46 N -2.75 -0.02 0.00 2.53 -1.09 0.48 -1.31 121.20 119.04 2ejm s ILE 46 Ca 0.33 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2ejm s ILE 46 Cb 0.06 -0.55 0.00 0.00 -1.58 0.00 0.00 42.46 40.39 2ejm s ILE 46 CO 0.16 -0.19 0.00 0.00 -1.23 0.00 0.00 174.94 173.69 2ejm n ALA 47 N 5.26 0.00 -3.52 9.38 0.00 -1.08 0.53 120.51 131.07 2ejm n ALA 47 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2ejm n ALA 47 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 2ejm n ALA 47 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2ejm s MET 48 N 0.00 3.20 -0.17 0.00 -1.94 -1.26 -4.67 119.30 114.46 2ejm s MET 48 Ca 0.00 -2.66 0.00 0.00 -1.71 0.00 0.00 55.69 51.32 2ejm s MET 48 Cb 0.00 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.74 2ejm s MET 48 CO 0.00 -1.24 0.00 1.17 -0.01 0.00 0.00 175.02 174.94 2ejm n LYS 49 N 3.47 -2.65 -4.31 2.03 0.00 -1.26 -4.85 118.16 110.58 2ejm n LYS 49 Ca 0.13 0.10 -0.19 0.00 0.00 0.00 0.00 58.31 58.35 2ejm n LYS 49 Cb 0.41 -4.55 -0.13 0.00 0.00 0.00 0.00 35.03 30.76 2ejm n LYS 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2ejm s MET 50 N -4.65 0.88 -0.12 1.64 1.75 -1.26 -5.14 119.30 112.39 2ejm s MET 50 Ca 0.00 -0.76 -0.06 0.00 -1.25 0.00 0.00 55.69 53.62 2ejm s MET 50 Cb 0.00 -0.87 -0.04 0.00 2.84 0.00 0.00 34.83 36.76 2ejm s MET 50 CO 0.00 0.21 0.12 -2.00 -0.65 0.00 0.00 175.02 172.70 2ejm s GLU 51 N -1.19 3.43 0.11 4.11 2.12 -1.26 -2.63 118.70 123.39 2ejm s GLU 51 Ca 0.01 -0.18 0.08 0.00 0.36 0.00 0.00 54.97 55.23 2ejm s GLU 51 Cb -0.08 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2ejm s GLU 51 CO 0.01 0.72 -0.19 -1.01 -0.54 0.00 0.00 175.26 174.25 2ejm s HIS 52 N -0.88 1.71 -0.32 5.30 3.76 -0.43 -4.98 115.29 119.45 2ejm s HIS 52 Ca 0.14 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.64 2ejm s HIS 52 Cb -0.12 -0.92 0.09 0.00 1.11 0.00 0.00 32.58 32.74 2ejm s HIS 52 CO 0.03 0.21 0.01 0.99 -0.85 0.00 0.00 174.74 175.14 2ejm s THR 53 N -1.43 2.37 -0.77 1.30 2.01 -1.26 -1.93 115.64 115.94 2ejm s THR 53 Ca 0.08 -2.05 -0.25 0.00 0.31 0.00 0.00 61.69 59.77 2ejm s THR 53 Cb -0.09 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2ejm s THR 53 CO 0.04 -0.40 1.85 -0.63 -0.69 0.00 0.00 174.62 174.79 2ejm s ILE 54 N 1.00 3.45 -0.06 1.82 1.09 -0.81 -4.94 121.20 122.75 2ejm s ILE 54 Ca 0.04 -0.09 -0.28 0.00 -1.10 0.00 0.00 60.65 59.21 2ejm s ILE 54 Cb -0.20 -4.08 -0.02 0.00 -1.06 0.00 0.00 42.46 37.10 2ejm s ILE 54 CO -0.06 -1.03 0.94 -0.54 -0.10 0.00 0.00 174.94 174.14 2ejm s LYS 55 N 6.85 4.47 0.27 2.79 1.02 -1.26 -1.99 119.74 131.88 2ejm s LYS 55 Ca 0.66 1.30 -0.28 0.00 0.02 0.00 0.00 55.97 57.66 2ejm s LYS 55 Cb -0.09 -3.50 -0.15 0.00 -0.52 0.00 0.00 37.83 33.57 2ejm s LYS 55 CO 0.09 -0.16 0.89 0.45 -0.92 0.00 0.00 175.35 175.71 2ejm n SER 56 N 4.42 0.69 0.12 2.83 2.88 -0.65 -4.81 113.62 119.10 2ejm n SER 56 Ca 0.06 1.17 -0.02 0.00 -1.33 0.00 0.00 58.87 58.74 2ejm n SER 56 Cb 0.50 -1.21 0.09 0.00 -0.75 0.00 0.00 64.21 62.84 2ejm n SER 56 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ejm h PRO 57 N 1.75 0.00 -2.71 -1.46 0.13 -1.93 -2.87 132.00 124.90 2ejm h PRO 57 Ca -0.37 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.86 2ejm h PRO 57 Cb 1.36 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 2ejm h PRO 57 CO 0.60 0.71 0.41 -1.59 -0.23 0.00 0.00 178.00 177.89 2ejm s LYS 58 N -3.31 1.66 0.55 0.86 -2.85 -1.26 -4.84 119.74 110.55 2ejm s LYS 58 Ca -0.00 -1.02 -0.18 0.00 -1.00 0.00 0.00 55.97 53.78 2ejm s LYS 58 Cb 0.11 0.50 -0.06 0.00 -2.06 0.00 0.00 37.83 36.33 2ejm s LYS 58 CO 0.77 -0.77 1.05 0.16 0.10 0.00 0.00 175.35 176.66 2ejm s ASP 59 N -3.12 6.03 0.00 0.03 -4.77 -1.26 -4.26 116.67 109.32 2ejm s ASP 59 Ca 0.16 1.86 0.00 0.00 -3.30 0.00 0.00 52.55 51.27 2ejm s ASP 59 Cb -0.04 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 2ejm s ASP 59 CO 0.07 -1.00 0.00 0.61 0.70 0.00 0.00 175.17 175.55 2ejm n GLY 60 N -0.71 2.01 3.29 2.12 0.00 -1.25 -4.95 105.19 105.70 2ejm n GLY 60 Ca 0.09 -0.99 -0.40 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 4.28 -0.19 2.61 2.01 -1.26 -2.93 115.64 118.16 2ejm s THR 61 Ca 0.00 -1.30 -0.41 0.00 0.31 0.00 0.00 61.69 60.29 2ejm s THR 61 Cb 0.00 -3.57 -0.18 0.00 0.01 0.00 0.00 72.50 68.75 2ejm s THR 61 CO 0.00 -0.45 1.45 0.52 -0.69 0.00 0.00 174.62 175.45 2ejm n VAL 62 N 4.93 0.08 -0.08 3.82 0.31 -1.07 -1.37 118.33 124.94 2ejm n VAL 62 Ca -0.10 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.06 2ejm n VAL 62 Cb 0.43 -0.63 -0.10 0.00 -0.91 0.00 0.00 33.84 32.63 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 4.98 0.00 -1.89 5.55 3.64 0.18 0.91 116.57 129.95 2ejm h LYS 63 Ca -0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2ejm h LYS 63 Cb 1.36 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.96 2ejm h LYS 63 CO 0.85 0.82 0.23 0.21 -2.27 0.00 0.00 179.45 179.29 2ejm s LYS 64 N -2.21 0.77 0.36 1.90 2.36 -1.20 -4.01 119.74 117.71 2ejm s LYS 64 Ca -0.21 0.79 -0.04 0.00 -2.55 0.00 0.00 55.97 53.97 2ejm s LYS 64 Cb 0.01 0.37 -0.04 0.00 -1.05 0.00 0.00 37.83 37.12 2ejm s LYS 64 CO 0.54 -0.12 0.62 0.08 1.55 0.00 0.00 175.35 178.03 2ejm s VAL 65 N 0.13 5.00 -0.04 4.02 1.01 -1.26 -1.53 120.40 127.72 2ejm s VAL 65 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2ejm s VAL 65 Cb -0.04 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2ejm s VAL 65 CO 0.00 -0.52 0.03 0.49 0.00 0.00 0.00 175.10 175.10 2ejm n PHE 66 N -1.50 0.00 -4.96 5.22 3.72 -0.31 -4.96 117.46 114.68 2ejm n PHE 66 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 2ejm n PHE 66 Cb 0.55 -0.23 -0.15 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.14 2.27 0.00 1.38 1.51 -1.21 -5.08 117.35 114.08 2ejm s TYR 67 Ca -0.02 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 2ejm s TYR 67 Cb 0.02 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 2ejm s TYR 67 CO 0.20 0.09 0.00 0.54 -1.11 0.00 0.00 175.55 175.27 2ejm n ARG 68 N 1.91 1.95 -1.90 -0.62 1.74 -1.26 -4.99 116.66 113.48 2ejm n ARG 68 Ca -0.17 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.51 2ejm n ARG 68 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 2ejm n ARG 68 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ejm s GLU 69 N -1.72 3.99 -1.27 5.56 2.02 -1.26 -2.85 118.70 123.17 2ejm s GLU 69 Ca 0.00 2.38 -0.02 0.00 0.02 0.00 0.00 54.97 57.35 2ejm s GLU 69 Cb 0.00 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.39 2ejm s GLU 69 CO 0.00 -0.56 0.97 0.41 0.02 0.00 0.00 175.26 176.11 2ejm n GLY 70 N 0.59 -0.39 3.49 -1.39 0.00 0.46 -4.96 105.19 102.99 2ejm n GLY 70 Ca 0.03 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.41 2.71 -0.40 4.61 0.00 -1.13 -4.88 121.76 119.25 2ejm s ALA 71 Ca 0.14 -1.43 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 2ejm s ALA 71 Cb -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2ejm s ALA 71 CO 0.75 0.54 0.35 -1.14 0.00 0.00 0.00 175.76 176.26 2ejm s GLN 72 N -2.37 3.09 0.32 0.00 0.74 -1.26 -1.29 119.66 118.89 2ejm s GLN 72 Ca 0.20 -0.86 0.07 0.00 0.05 0.00 0.00 55.36 54.82 2ejm s GLN 72 Cb -0.10 -3.95 -0.02 0.00 1.10 0.00 0.00 33.01 30.04 2ejm s GLN 72 CO 0.11 -0.75 0.35 0.00 -0.55 0.00 0.00 175.29 174.45 2ejm s ALA 73 N 1.87 3.97 0.39 1.58 0.00 -0.95 -5.04 121.76 123.58 2ejm s ALA 73 Ca 0.08 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.60 2ejm s ALA 73 Cb -0.18 -1.42 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 2ejm s ALA 73 CO 0.11 0.04 0.07 1.21 0.00 0.00 0.00 175.76 177.19 2ejm s ASN 74 N -4.04 4.17 -0.05 0.00 3.84 -1.26 -3.39 114.94 114.20 2ejm s ASN 74 Ca 0.41 -1.14 -0.30 0.00 0.21 0.00 0.00 52.86 52.05 2ejm s ASN 74 Cb -0.08 -0.47 -0.06 0.00 -0.55 0.00 0.00 41.25 40.10 2ejm s ASN 74 CO 0.28 -0.41 1.66 -0.60 -2.79 0.00 0.00 177.10 175.25 2ejm s ARG 75 N -3.78 4.17 -0.55 0.43 3.52 -1.26 -3.14 118.95 118.34 2ejm s ARG 75 Ca 0.37 2.19 -0.02 0.00 -0.13 0.00 0.00 55.73 58.14 2ejm s ARG 75 Cb 0.04 -3.99 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 2ejm s ARG 75 CO 0.20 -0.86 0.49 0.72 -0.81 0.00 0.00 175.30 175.04 2ejm n HIS 76 N 7.17 -1.54 -4.33 5.12 8.25 -0.35 -4.94 115.22 124.60 2ejm n HIS 76 Ca 0.17 0.55 -0.22 0.00 -0.26 0.00 0.00 57.72 57.97 2ejm n HIS 76 Cb 0.43 -3.30 -0.11 0.00 1.12 0.00 0.00 29.99 28.12 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 -3.15 1.83 -0.41 1.59 -4.23 -1.19 -4.77 115.64 105.31 2ejm s THR 77 Ca 0.18 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.52 2ejm s THR 77 Cb -0.02 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 72.00 2ejm s THR 77 CO 0.43 -0.28 1.41 -2.16 -0.54 0.00 0.00 174.62 173.49 2ejm s PRO 78 N -2.69 3.58 -0.10 3.99 0.04 -1.26 -0.76 135.00 137.80 2ejm s PRO 78 Ca 0.15 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 2ejm s PRO 78 Cb -0.06 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.44 2ejm s PRO 78 CO 0.06 -1.56 -0.09 -0.07 0.04 0.00 0.00 177.00 175.39 2ejm h LEU 79 N 12.19 0.00 -8.92 -3.56 3.38 -1.93 -3.43 115.31 113.04 2ejm h LEU 79 Ca -0.28 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.17 2ejm h LEU 79 Cb 1.11 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.69 2ejm h LEU 79 CO 1.08 0.54 -0.77 0.68 0.09 0.00 0.00 178.44 180.07 2ejm s VAL 80 N -1.79 1.94 -0.08 1.22 -7.23 -1.26 -1.17 120.40 112.03 2ejm s VAL 80 Ca -0.07 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.05 2ejm s VAL 80 Cb 0.01 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 2ejm s VAL 80 CO 0.11 -0.40 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.62 2ejm s GLU 81 N -3.14 2.81 0.36 4.82 2.56 -0.58 -3.83 118.70 121.70 2ejm s GLU 81 Ca 0.20 -0.78 -0.08 0.00 0.00 0.00 0.00 54.97 54.32 2ejm s GLU 81 Cb -0.04 -2.37 -0.06 0.00 2.00 0.00 0.00 34.13 33.66 2ejm s GLU 81 CO 0.08 0.39 0.68 -0.06 -0.56 0.00 0.00 175.26 175.80 2ejm s PHE 82 N -0.15 3.48 0.92 5.30 0.08 -1.26 0.19 117.98 126.53 2ejm s PHE 82 Ca -0.02 0.86 -0.12 0.00 0.12 0.00 0.00 56.93 57.77 2ejm s PHE 82 Cb -0.14 -2.29 0.14 0.00 -0.57 0.00 0.00 43.02 40.16 2ejm s PHE 82 CO 0.04 -0.00 1.11 -1.21 -0.10 0.00 0.00 175.22 175.06 2ejm s GLU 83 N -3.78 1.07 -1.02 0.44 0.41 -0.47 -4.49 118.70 110.85 2ejm s GLU 83 Ca 0.48 0.48 -0.08 0.00 -0.41 0.00 0.00 54.97 55.45 2ejm s GLU 83 Cb -0.10 -1.81 0.26 0.00 -1.78 0.00 0.00 34.13 30.69 2ejm s GLU 83 CO 0.31 -2.29 0.99 -2.00 -0.49 0.00 0.00 175.26 171.78 2ejm s GLU 84 N -5.11 3.89 0.27 1.61 2.12 -1.26 -4.88 118.70 115.34 2ejm s GLU 84 Ca 0.64 -3.16 0.10 0.00 0.36 0.00 0.00 54.97 52.91 2ejm s GLU 84 Cb -0.16 -4.38 -0.05 0.00 0.26 0.00 0.00 34.13 29.80 2ejm s GLU 84 CO 0.55 -1.25 -0.06 -1.21 -0.54 0.00 0.00 175.26 172.76 2ejm s GLU 85 N -1.14 2.12 -0.01 4.30 2.02 -1.26 -5.14 118.70 119.58 2ejm s GLU 85 Ca 0.28 -1.53 -0.16 0.00 0.02 0.00 0.00 54.97 53.59 2ejm s GLU 85 Cb -0.10 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.12 2ejm s GLU 85 CO -0.09 0.34 0.33 -1.21 0.02 0.00 0.00 175.26 174.66 2ejm s GLU 86 N -3.63 0.70 -0.30 1.61 2.02 -1.26 -5.15 118.70 112.69 2ejm s GLU 86 Ca 0.31 -0.18 -0.14 0.00 0.02 0.00 0.00 54.97 54.98 2ejm s GLU 86 Cb -0.06 0.31 0.15 0.00 0.10 0.00 0.00 34.13 34.64 2ejm s GLU 86 CO 0.19 -0.20 0.90 0.45 0.02 0.00 0.00 175.26 176.62 2ejm s SER 87 N -1.36 -0.71 -0.18 -0.19 0.15 -1.26 -5.06 113.70 105.09 2ejm s SER 87 Ca -0.13 0.99 -0.04 0.00 0.70 0.00 0.00 55.95 57.48 2ejm s SER 87 Cb -0.05 1.75 0.01 0.00 -1.71 0.00 0.00 66.02 66.03 2ejm s SER 87 CO 0.04 -0.14 0.08 -0.67 1.20 0.00 0.00 173.24 173.75 2ejm n ASP 88 N 4.93 -5.46 -4.52 5.45 -0.08 -1.26 -4.85 116.55 110.75 2ejm n ASP 88 Ca -0.11 1.18 -0.43 0.00 -1.51 0.00 0.00 54.79 53.92 2ejm n ASP 88 Cb 0.52 -4.20 -0.04 0.00 2.34 0.00 0.00 41.12 39.74 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 -1.04 3.34 -0.18 -0.67 2.47 -1.26 -4.97 119.74 117.42 2ejm s LYS 89 Ca -0.09 -0.26 -0.27 0.00 -1.56 0.00 0.00 55.97 53.79 2ejm s LYS 89 Cb 0.01 -4.04 0.07 0.00 -1.46 0.00 0.00 37.83 32.40 2ejm s LYS 89 CO 0.56 -1.45 0.69 -0.98 0.16 0.00 0.00 175.35 174.33 2ejm s ARG 90 N 3.85 0.91 -0.36 4.03 1.70 -1.26 -5.12 118.95 122.71 2ejm s ARG 90 Ca 0.30 0.69 -0.04 0.00 -0.47 0.00 0.00 55.73 56.21 2ejm s ARG 90 Cb -0.13 0.44 0.19 0.00 -0.57 0.00 0.00 34.95 34.88 2ejm s ARG 90 CO 0.19 -0.19 0.95 -2.00 -1.08 0.00 0.00 175.30 173.18 2ejm s GLU 91 N -0.25 0.36 0.00 3.89 2.12 -1.26 -5.16 118.70 118.41 2ejm s GLU 91 Ca -0.04 -0.18 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 2ejm s GLU 91 Cb -0.03 0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.40 2ejm s GLU 91 CO 0.04 -0.51 0.25 -1.54 -0.54 0.00 0.00 175.26 172.97 2ejm s SER 92 N 1.74 -0.10 -0.04 -1.70 1.04 -1.26 -5.02 113.70 108.35 2ejm s SER 92 Ca 0.17 -0.07 -0.20 0.00 0.48 0.00 0.00 55.95 56.33 2ejm s SER 92 Cb 0.03 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.47 2ejm s SER 92 CO -0.12 -0.46 0.44 -0.70 0.98 0.00 0.00 173.24 173.39 2ejm s GLU 93 N -1.61 0.78 0.15 4.02 2.56 -1.26 -5.17 118.70 118.17 2ejm s GLU 93 Ca -0.12 0.04 -0.21 0.00 0.00 0.00 0.00 54.97 54.68 2ejm s GLU 93 Cb -0.05 0.36 0.06 0.00 2.00 0.00 0.00 34.13 36.50 2ejm s GLU 93 CO 0.02 -0.22 0.53 -1.54 -0.56 0.00 0.00 175.26 173.50 2ejm s SER 94 N -1.11 -0.45 -0.11 -1.70 1.04 -1.26 -5.05 113.70 105.06 2ejm s SER 94 Ca -0.11 -0.11 -0.30 0.00 0.48 0.00 0.00 55.95 55.90 2ejm s SER 94 Cb -0.03 0.56 0.11 0.00 0.10 0.00 0.00 66.02 66.75 2ejm s SER 94 CO 0.06 -0.94 0.88 -0.83 0.98 0.00 0.00 173.24 173.39 2ejm s GLY 95 N -2.77 -0.39 0.32 7.32 0.00 -1.26 -5.16 107.32 105.38 2ejm s GLY 95 Ca 0.02 1.69 -0.28 0.00 0.00 0.00 0.00 44.72 46.15 2ejm s GLY 95 CO -0.12 0.93 1.07 2.56 0.00 0.00 0.00 173.10 177.54 2ejm s PRO 96 N -1.35 4.49 -0.03 2.90 0.04 -1.26 -4.98 135.00 134.81 2ejm s PRO 96 Ca -0.04 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 2ejm s PRO 96 Cb -0.00 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 2ejm s PRO 96 CO 0.03 0.11 -0.16 0.45 0.04 0.00 0.00 177.00 177.48 2ejm n SER 97 N 0.78 1.40 -1.21 6.66 2.88 -1.26 -5.12 113.62 117.75 2ejm n SER 97 Ca 0.01 0.21 0.14 0.00 -1.33 0.00 0.00 58.87 57.90 2ejm n SER 97 Cb 0.47 -0.51 -0.05 0.00 -0.75 0.00 0.00 64.21 63.36 2ejm n SER 97 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ejm n SER 98 N -3.85 -6.44 0.00 -3.46 3.41 -1.26 -5.39 113.62 96.63 2ejm n SER 98 Ca -0.06 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 2ejm n SER 98 Cb 0.23 -3.91 0.00 0.00 -0.26 0.00 0.00 64.21 60.28 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49