#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ej4 s SER 2 N 0.00 -1.10 0.33 1.61 0.01 -1.26 -5.16 113.70 108.13 2ej4 s SER 2 Ca 0.00 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.42 2ej4 s SER 2 Cb 0.00 1.81 -0.05 0.00 0.21 0.00 0.00 66.02 67.99 2ej4 s SER 2 CO 0.00 -0.31 0.08 -0.44 0.41 0.00 0.00 173.24 172.98 2ej4 s SER 3 N 2.76 2.23 0.00 2.44 0.01 -1.26 -4.88 113.70 115.00 2ej4 s SER 3 Ca 0.11 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2ej4 s SER 3 Cb -0.11 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2ej4 s SER 3 CO -0.26 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2ej4 n GLY 4 N -0.69 0.62 0.04 3.44 0.00 -1.26 -4.52 105.19 102.82 2ej4 n GLY 4 Ca -0.03 -1.17 0.03 0.00 0.00 0.00 0.00 46.02 44.85 2ej4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ej4 n SER 5 N 0.00 0.13 -4.74 1.61 3.41 -1.26 -4.68 113.62 108.08 2ej4 n SER 5 Ca 0.00 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 2ej4 n SER 5 Cb 0.00 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 2ej4 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ej4 s SER 6 N -3.21 6.44 1.00 4.04 0.15 -1.26 -5.00 113.70 115.85 2ej4 s SER 6 Ca -0.01 2.87 -0.10 0.00 0.70 0.00 0.00 55.95 59.41 2ej4 s SER 6 Cb 0.01 -2.63 0.14 0.00 -1.71 0.00 0.00 66.02 61.84 2ej4 s SER 6 CO 0.05 -0.88 0.82 0.61 1.20 0.00 0.00 173.24 175.03 2ej4 n GLY 7 N 2.46 -1.36 3.70 9.45 0.00 -1.26 -5.01 105.19 113.17 2ej4 n GLY 7 Ca 0.09 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 2ej4 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ej4 n GLN 8 N -2.73 1.23 -2.26 1.61 0.00 -1.26 -4.95 117.38 109.02 2ej4 n GLN 8 Ca 0.10 0.47 -0.38 0.00 0.00 0.00 0.00 57.00 57.19 2ej4 n GLN 8 Cb 0.35 -2.44 -0.01 0.00 0.00 0.00 0.00 30.24 28.14 2ej4 n GLN 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2ej4 s PRO 9 N -3.04 3.93 0.88 2.61 0.04 -1.26 -4.98 135.00 133.19 2ej4 s PRO 9 Ca 0.77 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 63.50 2ej4 s PRO 9 Cb -0.41 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 2ej4 s PRO 9 CO 0.45 -0.42 -0.04 1.51 0.04 0.00 0.00 177.00 178.53 2ej4 n ILE 10 N -0.14 0.37 -4.63 0.56 3.06 -1.26 -5.02 119.36 112.30 2ej4 n ILE 10 Ca 0.05 -0.37 -0.28 0.00 -2.50 0.00 0.00 62.75 59.66 2ej4 n ILE 10 Cb 0.47 -0.37 -0.06 0.00 0.54 0.00 0.00 39.64 40.21 2ej4 n ILE 10 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2ej4 n LYS 11 N 0.25 0.79 -0.40 9.51 4.76 -1.26 -5.14 118.16 126.67 2ej4 n LYS 11 Ca 0.04 -3.34 -0.22 0.00 -2.87 0.00 0.00 58.31 51.93 2ej4 n LYS 11 Cb 0.53 1.16 0.20 0.00 -1.84 0.00 0.00 35.03 35.08 2ej4 n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ej4 n GLN 12 N -1.07 -3.32 -2.83 1.97 10.64 -1.26 -5.06 117.38 116.46 2ej4 n GLN 12 Ca -0.15 -0.99 -0.07 0.00 -1.83 0.00 0.00 57.00 53.96 2ej4 n GLN 12 Cb 0.58 -1.64 -0.03 0.00 -0.86 0.00 0.00 30.24 28.29 2ej4 n GLN 12 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2ej4 n GLU 13 N -3.36 0.19 0.00 2.61 1.02 -1.26 -4.94 120.64 114.91 2ej4 n GLU 13 Ca 0.09 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 2ej4 n GLU 13 Cb 0.43 1.11 0.00 0.00 -0.02 0.00 0.00 31.44 32.96 2ej4 n GLU 13 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ej4 n LEU 14 N 0.00 0.00 -3.59 -4.62 4.77 -0.73 -4.97 117.00 107.86 2ej4 n LEU 14 Ca 0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 2ej4 n LEU 14 Cb 0.24 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2ej4 n LEU 14 CO 0.12 0.00 1.22 -0.94 -1.33 0.00 0.00 177.39 176.46 2ej4 s SER 15 N 0.54 -0.00 -0.39 -1.43 1.04 -1.26 -4.23 113.70 107.97 2ej4 s SER 15 Ca 0.00 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.44 2ej4 s SER 15 Cb 0.00 0.00 0.12 0.00 0.10 0.00 0.00 66.02 66.24 2ej4 s SER 15 CO 0.00 -0.00 0.18 0.00 0.98 0.00 0.00 173.24 174.40 2ej4 n LYS 17 N 3.99 3.07 -3.11 0.00 4.76 -1.26 -3.57 118.16 122.04 2ej4 n LYS 17 Ca 0.05 -1.82 -0.45 0.00 -2.87 0.00 0.00 58.31 53.22 2ej4 n LYS 17 Cb 0.37 -2.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.06 2ej4 n LYS 17 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2ej4 s TRP 18 N 1.40 3.03 -0.89 2.13 -0.11 -1.26 -2.67 118.94 120.56 2ej4 s TRP 18 Ca 0.68 -1.02 -0.17 0.00 1.22 0.00 0.00 56.10 56.81 2ej4 s TRP 18 Cb 0.24 -4.02 0.16 0.00 -1.50 0.00 0.00 33.47 28.35 2ej4 s TRP 18 CO -0.05 -1.30 1.00 0.42 -4.62 0.00 0.00 176.95 172.41 2ej4 s ILE 19 N 2.60 5.03 0.00 5.86 1.01 -1.24 -2.41 121.20 132.05 2ej4 s ILE 19 Ca 0.13 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 58.90 2ej4 s ILE 19 Cb -0.23 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.57 2ej4 s ILE 19 CO 0.05 -1.34 0.00 -0.67 0.00 0.00 0.00 174.94 172.98 2ej4 n ASP 20 N 5.66 -0.54 -0.00 3.58 -0.08 -1.26 -4.36 116.55 119.56 2ej4 n ASP 20 Ca 0.20 -0.46 -0.00 0.00 -1.51 0.00 0.00 54.79 53.02 2ej4 n ASP 20 Cb 0.48 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.94 2ej4 n ASP 20 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2ej4 n GLU 21 N -1.00 0.01 -0.45 -0.67 0.00 -1.26 -4.71 120.64 112.56 2ej4 n GLU 21 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 2ej4 n GLU 21 Cb 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 31.44 30.70 2ej4 n GLU 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ej4 n ALA 22 N -2.76 3.79 0.75 4.31 0.00 -1.26 -4.32 120.51 121.02 2ej4 n ALA 22 Ca -0.01 -0.51 0.07 0.00 0.00 0.00 0.00 53.44 52.99 2ej4 n ALA 22 Cb 0.51 -1.10 0.38 0.00 0.00 0.00 0.00 19.45 19.23 2ej4 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ej4 n GLN 23 N 0.75 0.31 0.00 0.00 0.00 -1.26 -4.84 117.38 112.34 2ej4 n GLN 23 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.18 2ej4 n GLN 23 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.33 2ej4 n GLN 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2ej4 n LEU 24 N -1.15 0.00 -4.93 2.61 0.00 -1.26 -4.91 117.00 107.36 2ej4 n LEU 24 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.85 2ej4 n LEU 24 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.47 2ej4 n LEU 24 CO 0.09 0.00 -0.09 -0.55 0.00 0.00 0.00 177.39 176.84 2ej4 s SER 25 N 0.00 6.21 0.07 1.96 0.15 -1.26 -5.13 113.70 115.71 2ej4 s SER 25 Ca 0.00 0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.73 2ej4 s SER 25 Cb 0.00 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 2ej4 s SER 25 CO 0.00 0.01 -0.02 -0.13 1.20 0.00 0.00 173.24 174.29 2ej4 s ARG 26 N -3.50 0.71 0.80 5.44 1.81 -1.26 -4.29 118.95 118.65 2ej4 s ARG 26 Ca 0.34 -1.28 -0.11 0.00 -1.72 0.00 0.00 55.73 52.96 2ej4 s ARG 26 Cb -0.10 0.13 0.07 0.00 -0.45 0.00 0.00 34.95 34.60 2ej4 s ARG 26 CO 0.28 -0.12 1.09 -1.25 -0.68 0.00 0.00 175.30 174.62 2ej4 s PRO 27 N -3.92 2.05 -0.71 3.54 0.04 -1.26 -4.94 135.00 129.79 2ej4 s PRO 27 Ca 0.11 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 2ej4 s PRO 27 Cb 0.07 -1.88 -0.21 0.00 0.04 0.00 0.00 34.50 32.52 2ej4 s PRO 27 CO -0.07 -1.77 1.67 1.63 0.04 0.00 0.00 177.00 178.50 2ej4 n LYS 28 N -3.60 0.00 -1.71 4.56 5.02 -1.26 -4.82 118.16 116.34 2ej4 n LYS 28 Ca 0.09 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 2ej4 n LYS 28 Cb 0.53 -0.83 0.04 0.00 -0.02 0.00 0.00 35.03 34.75 2ej4 n LYS 28 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ej4 s LYS 29 N 5.47 3.03 -0.07 1.97 1.02 -1.26 -4.94 119.74 124.97 2ej4 s LYS 29 Ca 0.95 1.05 -0.25 0.00 0.02 0.00 0.00 55.97 57.74 2ej4 s LYS 29 Cb -0.70 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2ej4 s LYS 29 CO 0.39 -1.03 0.77 -1.54 -0.92 0.00 0.00 175.35 173.02 2ej4 s SER 30 N -3.44 7.05 0.36 2.83 1.04 -1.26 -4.42 113.70 115.87 2ej4 s SER 30 Ca 0.60 1.27 0.30 0.00 0.48 0.00 0.00 55.95 58.60 2ej4 s SER 30 Cb -0.15 -2.45 1.17 0.00 0.10 0.00 0.00 66.02 64.70 2ej4 s SER 30 CO 0.49 -0.18 1.14 0.00 0.98 0.00 0.00 173.24 175.66 2ej4 n ASP 32 N -3.78 -6.80 -4.23 0.00 2.03 -1.23 -5.02 116.55 97.52 2ej4 n ASP 32 Ca 0.31 0.54 -0.13 0.00 0.52 0.00 0.00 54.79 56.03 2ej4 n ASP 32 Cb 1.31 -2.68 -0.10 0.00 -0.72 0.00 0.00 41.12 38.92 2ej4 n ASP 32 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2ej4 s ARG 33 N -1.51 1.17 -0.11 -0.67 6.06 -1.26 -4.97 118.95 117.66 2ej4 s ARG 33 Ca 0.09 -1.60 -0.04 0.00 -2.50 0.00 0.00 55.73 51.68 2ej4 s ARG 33 Cb -0.01 0.01 0.05 0.00 0.06 0.00 0.00 34.95 35.06 2ej4 s ARG 33 CO 0.38 -0.28 0.23 0.95 -2.50 0.00 0.00 175.30 174.08 2ej4 s THR 34 N -3.92 -0.23 0.32 4.11 -4.23 -1.26 -3.54 115.64 106.88 2ej4 s THR 34 Ca 0.32 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 61.17 2ej4 s THR 34 Cb 0.07 -0.38 -0.06 0.00 1.34 0.00 0.00 72.50 73.48 2ej4 s THR 34 CO 0.08 0.10 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.78 2ej4 s PHE 35 N 1.91 2.38 -0.12 3.99 0.40 -1.26 -4.94 117.98 120.34 2ej4 s PHE 35 Ca -0.03 -0.43 0.17 0.00 -0.60 0.00 0.00 56.93 56.04 2ej4 s PHE 35 Cb -0.11 -1.24 -0.24 0.00 0.51 0.00 0.00 43.02 41.93 2ej4 s PHE 35 CO -0.08 0.63 0.19 0.43 0.70 0.00 0.00 175.22 177.09 2ej4 n SER 36 N -0.75 0.69 -4.19 1.36 7.64 -1.26 -1.77 113.62 115.34 2ej4 n SER 36 Ca -0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.54 2ej4 n SER 36 Cb 0.62 1.27 -0.16 0.00 -1.01 0.00 0.00 64.21 64.93 2ej4 n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ej4 s THR 37 N -2.75 1.77 0.59 0.44 -4.23 -1.26 -4.90 115.64 105.31 2ej4 s THR 37 Ca -0.08 -0.89 0.29 0.00 -1.18 0.00 0.00 61.69 59.83 2ej4 s THR 37 Cb 0.08 -1.53 0.38 0.00 1.34 0.00 0.00 72.50 72.77 2ej4 s THR 37 CO 0.74 0.50 1.89 -0.03 -0.54 0.00 0.00 174.62 177.18 2ej4 h MET 38 N 6.38 0.00 0.28 3.99 4.05 -2.02 -1.14 114.93 126.48 2ej4 h MET 38 Ca -0.29 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.12 2ej4 h MET 38 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2ej4 h MET 38 CO 0.47 0.00 -0.14 1.25 0.23 0.00 0.00 176.91 178.73 2ej4 h HIS 39 N 0.00 -0.35 -0.39 1.39 -0.00 -2.00 -2.93 115.15 110.88 2ej4 h HIS 39 Ca 0.21 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.63 2ej4 h HIS 39 Cb 1.18 0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 28.62 2ej4 h HIS 39 CO 0.00 -0.14 -0.47 0.93 -0.00 0.00 0.00 177.93 178.25 2ej4 h GLU 40 N -0.50 -0.35 -0.65 5.26 4.39 -1.61 0.16 114.58 121.29 2ej4 h GLU 40 Ca -0.04 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.79 2ej4 h GLU 40 Cb 0.37 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 28.98 2ej4 h GLU 40 CO 0.06 -0.23 -0.36 1.25 -1.16 0.00 0.00 179.01 178.57 2ej4 h LEU 41 N -0.36 -1.25 -0.97 1.33 5.85 -1.58 1.60 115.31 119.93 2ej4 h LEU 41 Ca 0.11 0.24 0.02 0.00 0.84 0.00 0.00 57.88 59.09 2ej4 h LEU 41 Cb 0.60 0.62 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2ej4 h LEU 41 CO -0.57 -0.31 0.64 0.58 -0.34 0.00 0.00 178.44 178.44 2ej4 h VAL 42 N -0.15 1.23 0.00 1.05 2.07 -1.09 -0.82 116.25 118.55 2ej4 h VAL 42 Ca 0.24 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2ej4 h VAL 42 Cb 0.56 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2ej4 h VAL 42 CO -0.72 0.24 0.00 0.41 0.02 0.00 0.00 177.57 177.51 2ej4 n THR 43 N -4.42 0.59 -0.02 2.57 -1.04 0.60 -3.14 114.28 109.41 2ej4 n THR 43 Ca 0.12 -0.16 -0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2ej4 n THR 43 Cb 0.03 -0.69 -0.00 0.00 -1.82 0.00 0.00 70.33 67.85 2ej4 n THR 43 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ej4 h HIS 44 N 0.00 0.00 0.00 -1.42 6.17 0.36 -3.29 115.15 116.97 2ej4 h HIS 44 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2ej4 h HIS 44 Cb 0.64 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.57 2ej4 h HIS 44 CO 0.00 0.00 0.12 0.28 0.71 0.00 0.00 177.93 179.04 2ej4 n VAL 45 N -3.13 1.11 0.12 5.26 0.31 -0.76 0.14 118.33 121.37 2ej4 n VAL 45 Ca -0.00 0.67 -0.05 0.00 -0.01 0.00 0.00 64.34 64.94 2ej4 n VAL 45 Cb 0.00 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 2ej4 n VAL 45 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2ej4 h THR 46 N 0.00 0.00 0.03 2.52 2.02 -1.64 0.30 112.91 116.14 2ej4 h THR 46 Ca 0.00 -0.30 -0.33 0.00 0.77 0.00 0.00 66.41 66.55 2ej4 h THR 46 Cb 0.23 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 2ej4 h THR 46 CO 0.00 0.00 -1.80 1.15 0.37 0.00 0.00 175.52 175.24 2ej4 n MET 47 N -3.79 0.62 -0.34 6.66 0.00 -1.02 0.42 117.12 119.66 2ej4 n MET 47 Ca -0.04 0.41 0.15 0.00 0.00 0.00 0.00 57.70 58.22 2ej4 n MET 47 Cb 0.14 -1.66 0.37 0.00 0.00 0.00 0.00 33.22 32.06 2ej4 n MET 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2ej4 h GLU 48 N -0.70 0.64 0.00 3.17 4.39 -0.54 -2.02 114.58 119.52 2ej4 h GLU 48 Ca -0.46 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2ej4 h GLU 48 Cb 1.57 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2ej4 h GLU 48 CO -0.19 0.43 0.00 0.72 -1.16 0.00 0.00 179.01 178.80 2ej4 n HIS 49 N -4.78 0.00 -0.01 4.33 8.25 -1.19 -4.68 115.22 117.13 2ej4 n HIS 49 Ca 0.25 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.90 2ej4 n HIS 49 Cb 0.66 0.00 0.41 0.00 1.12 0.00 0.00 29.99 32.18 2ej4 n HIS 49 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2ej4 h VAL 50 N 0.00 0.05 0.00 1.59 2.07 -0.11 -3.44 116.25 116.42 2ej4 h VAL 50 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ej4 h VAL 50 Cb 0.00 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2ej4 h VAL 50 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2ej4 n GLY 51 N -1.60 1.65 0.00 2.17 0.00 0.17 -4.73 105.19 102.85 2ej4 n GLY 51 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2ej4 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ej4 n GLY 52 N 0.00 0.66 0.00 -0.02 0.00 -1.14 -4.30 105.19 100.40 2ej4 n GLY 52 Ca 0.00 -2.12 0.08 0.00 0.00 0.00 0.00 46.02 43.98 2ej4 n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ej4 n PRO 53 N 0.00 0.42 -2.34 1.61 -0.04 -1.26 -2.88 135.00 130.50 2ej4 n PRO 53 Ca 0.00 0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 2ej4 n PRO 53 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 2ej4 n PRO 53 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ej4 n GLU 54 N -1.07 3.17 -4.39 0.54 -0.58 -1.26 -5.05 120.64 112.00 2ej4 n GLU 54 Ca 0.10 -4.19 -0.28 0.00 -0.42 0.00 0.00 57.16 52.38 2ej4 n GLU 54 Cb 0.07 -2.12 -0.12 0.00 -0.57 0.00 0.00 31.44 28.70 2ej4 n GLU 54 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2ej4 s GLN 55 N -3.55 1.57 -0.27 3.49 -0.44 -1.14 -5.07 119.66 114.25 2ej4 s GLN 55 Ca 0.46 -1.41 -0.02 0.00 -2.50 0.00 0.00 55.36 51.88 2ej4 s GLN 55 Cb 0.40 -1.92 0.03 0.00 -1.64 0.00 0.00 33.01 29.88 2ej4 s GLN 55 CO -0.07 0.43 -0.03 -0.80 0.50 0.00 0.00 175.29 175.32 2ej4 s ASN 56 N -2.46 4.57 0.00 6.67 0.01 -1.26 -4.79 114.94 117.68 2ej4 s ASN 56 Ca 0.19 -0.96 0.00 0.00 -0.71 0.00 0.00 52.86 51.38 2ej4 s ASN 56 Cb -0.09 -1.70 0.00 0.00 0.41 0.00 0.00 41.25 39.87 2ej4 s ASN 56 CO 0.09 -0.17 0.00 -3.20 -1.51 0.00 0.00 177.10 172.31 2ej4 n ASN 57 N 4.68 -1.74 -4.60 -1.22 4.05 -1.26 -5.03 115.26 110.14 2ej4 n ASN 57 Ca -0.15 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.47 2ej4 n ASN 57 Cb 0.46 -0.87 -0.07 0.00 1.23 0.00 0.00 39.78 40.54 2ej4 n ASN 57 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2ej4 s HIS 58 N -1.40 3.23 -0.04 1.20 3.76 -1.26 -5.05 115.29 115.74 2ej4 s HIS 58 Ca 0.00 0.61 0.04 0.00 -0.15 0.00 0.00 55.06 55.56 2ej4 s HIS 58 Cb 0.00 -2.90 -0.00 0.00 1.11 0.00 0.00 32.58 30.79 2ej4 s HIS 58 CO 0.00 -0.41 -0.16 0.08 -0.85 0.00 0.00 174.74 173.41 2ej4 s VAL 59 N 2.50 1.29 -0.66 -0.90 1.01 -1.26 -3.40 120.40 118.99 2ej4 s VAL 59 Ca 0.24 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2ej4 s VAL 59 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2ej4 s VAL 59 CO 0.11 0.37 1.45 0.00 0.00 0.00 0.00 175.10 177.03 2ej4 s TYR 61 N 6.61 3.20 0.27 0.00 2.02 -1.26 -2.05 117.35 126.14 2ej4 s TYR 61 Ca 0.47 0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 57.08 2ej4 s TYR 61 Cb -0.10 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 2ej4 s TYR 61 CO 0.19 -0.18 0.54 -0.46 -1.57 0.00 0.00 175.55 174.07 2ej4 s TRP 62 N 1.68 0.30 0.05 2.71 -0.11 -1.26 -3.68 118.94 118.64 2ej4 s TRP 62 Ca 0.07 -0.69 0.00 0.00 1.22 0.00 0.00 56.10 56.70 2ej4 s TRP 62 Cb -0.16 0.30 -0.26 0.00 -1.50 0.00 0.00 33.47 31.85 2ej4 s TRP 62 CO 0.09 -1.08 1.05 1.49 -4.62 0.00 0.00 176.95 173.88 2ej4 h GLU 63 N 2.18 0.18 -2.07 5.86 4.81 -1.88 -3.40 114.58 120.27 2ej4 h GLU 63 Ca -0.25 -0.30 -0.51 0.00 -0.13 0.00 0.00 59.36 58.16 2ej4 h GLU 63 Cb 1.25 0.11 -0.40 0.00 0.63 0.00 0.00 28.75 30.34 2ej4 h GLU 63 CO 0.34 1.07 -1.05 -0.85 -0.73 0.00 0.00 179.01 177.79 2ej4 n GLU 64 N -3.42 1.50 -4.25 1.92 0.28 -1.26 -5.10 120.64 110.31 2ej4 n GLU 64 Ca -0.09 -3.73 -0.34 0.00 -0.16 0.00 0.00 57.16 52.84 2ej4 n GLU 64 Cb 1.01 -1.80 -0.08 0.00 1.43 0.00 0.00 31.44 32.00 2ej4 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ej4 h PRO 66 N 4.64 0.82 0.00 0.00 0.13 -1.98 -2.90 132.00 132.70 2ej4 h PRO 66 Ca -0.50 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 2ej4 h PRO 66 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ej4 h PRO 66 CO 0.57 1.06 0.00 0.54 -0.23 0.00 0.00 178.00 179.95 2ej4 n ARG 67 N -4.17 0.19 -1.81 0.86 1.74 -1.26 -4.84 116.66 107.37 2ej4 n ARG 67 Ca -0.03 0.37 -0.02 0.00 -0.77 0.00 0.00 57.85 57.40 2ej4 n ARG 67 Cb 0.51 -1.83 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2ej4 n ARG 67 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ej4 n GLU 68 N -2.18 -2.01 -0.92 5.56 1.02 -1.10 0.11 120.64 121.13 2ej4 n GLU 68 Ca 0.03 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2ej4 n GLU 68 Cb 0.26 -4.38 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 2ej4 n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ej4 n GLY 69 N -0.30 1.07 0.00 0.62 0.00 -0.87 -4.97 105.19 100.74 2ej4 n GLY 69 Ca -0.02 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.82 2ej4 n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ej4 n LYS 70 N -0.38 0.12 -0.73 1.61 5.02 0.30 -4.72 118.16 119.38 2ej4 n LYS 70 Ca 0.00 0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.50 2ej4 n LYS 70 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2ej4 n LYS 70 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ej4 n SER 71 N -1.42 -4.36 -3.02 4.39 3.41 -1.26 -5.02 113.62 106.34 2ej4 n SER 71 Ca 0.07 0.46 -0.16 0.00 -0.26 0.00 0.00 58.87 58.98 2ej4 n SER 71 Cb 0.22 -2.31 -0.04 0.00 -0.26 0.00 0.00 64.21 61.81 2ej4 n SER 71 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2ej4 n PHE 72 N -3.21 0.18 -0.03 7.33 3.01 -1.22 -4.92 117.46 118.61 2ej4 n PHE 72 Ca -0.01 -1.56 0.01 0.00 1.01 0.00 0.00 57.45 56.90 2ej4 n PHE 72 Cb 0.34 -0.03 -0.11 0.00 -0.01 0.00 0.00 39.48 39.67 2ej4 n PHE 72 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2ej4 n LYS 73 N -0.58 1.04 -4.49 -1.08 4.81 -1.26 -4.94 118.16 111.65 2ej4 n LYS 73 Ca -0.05 -0.08 -0.24 0.00 -0.87 0.00 0.00 58.31 57.08 2ej4 n LYS 73 Cb 0.37 -1.34 -0.10 0.00 0.02 0.00 0.00 35.03 33.98 2ej4 n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ej4 s ALA 74 N -2.70 2.66 -0.00 3.14 0.00 -1.26 -5.07 121.76 118.53 2ej4 s ALA 74 Ca -0.06 -2.03 -0.03 0.00 0.00 0.00 0.00 51.96 49.85 2ej4 s ALA 74 Cb 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2ej4 s ALA 74 CO 0.57 -0.04 0.63 -0.22 0.00 0.00 0.00 175.76 176.70 2ej4 h LYS 75 N 2.12 -0.09 -0.07 0.00 1.63 -1.95 -3.17 116.57 115.04 2ej4 h LYS 75 Ca -0.41 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.41 2ej4 h LYS 75 Cb 1.24 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2ej4 h LYS 75 CO 0.70 -0.06 0.29 0.10 -3.45 0.00 0.00 179.45 177.03 2ej4 h TYR 76 N -0.14 0.00 -0.51 1.91 -0.00 -1.98 0.02 116.97 116.27 2ej4 h TYR 76 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.77 2ej4 h TYR 76 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.77 2ej4 h TYR 76 CO 0.12 0.00 0.34 0.87 -0.00 0.00 0.00 178.16 179.49 2ej4 h LYS 77 N 0.00 0.47 0.09 0.10 1.57 -1.97 0.13 116.57 116.96 2ej4 h LYS 77 Ca 0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ej4 h LYS 77 Cb 0.61 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2ej4 h LYS 77 CO -0.00 0.31 -0.04 1.25 -0.57 0.00 0.00 179.45 180.40 2ej4 h LEU 78 N 0.48 -0.10 -1.74 2.94 5.85 -1.05 -3.13 115.31 118.55 2ej4 h LEU 78 Ca 0.22 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.08 2ej4 h LEU 78 Cb 0.25 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2ej4 h LEU 78 CO -0.06 0.17 0.60 0.58 -0.34 0.00 0.00 178.44 179.39 2ej4 h VAL 79 N -0.60 0.24 -0.02 1.05 2.07 -1.61 0.93 116.25 118.31 2ej4 h VAL 79 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2ej4 h VAL 79 Cb 0.09 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2ej4 h VAL 79 CO 0.02 0.00 -0.02 0.78 0.02 0.00 0.00 177.57 178.37 2ej4 h ASN 80 N 0.00 0.06 0.88 0.57 2.35 -1.04 -3.13 115.58 115.27 2ej4 h ASN 80 Ca 0.23 -0.48 -0.07 0.00 -0.55 0.00 0.00 56.30 55.43 2ej4 h ASN 80 Cb 1.43 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.77 2ej4 h ASN 80 CO -0.00 0.52 -0.32 -0.74 -1.65 0.00 0.00 177.43 175.24 2ej4 h HIS 81 N -0.41 0.00 -0.71 1.19 -0.00 -0.83 -3.13 115.15 111.26 2ej4 h HIS 81 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 2ej4 h HIS 81 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 2ej4 h HIS 81 CO 0.09 0.32 0.45 0.82 -0.00 0.00 0.00 177.93 179.61 2ej4 h ILE 82 N 0.00 1.12 -0.75 6.26 2.04 -1.08 -2.68 117.51 122.41 2ej4 h ILE 82 Ca -0.00 -0.31 0.16 0.00 1.00 0.00 0.00 64.86 65.71 2ej4 h ILE 82 Cb 0.84 0.15 -0.14 0.00 -0.74 0.00 0.00 36.82 36.93 2ej4 h ILE 82 CO 0.04 0.16 -0.15 0.03 0.00 0.00 0.00 178.15 178.24 2ej4 h ARG 83 N 0.89 0.02 -1.19 2.37 2.47 -1.50 0.50 114.38 117.95 2ej4 h ARG 83 Ca 0.28 -0.00 0.35 0.00 -1.26 0.00 0.00 59.98 59.35 2ej4 h ARG 83 Cb -0.01 -0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.20 2ej4 h ARG 83 CO -0.10 0.01 0.77 -0.24 0.56 0.00 0.00 179.97 180.98 2ej4 h VAL 84 N 0.02 0.34 0.12 2.04 3.04 -1.65 0.93 116.25 121.08 2ej4 h VAL 84 Ca 0.37 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.98 2ej4 h VAL 84 Cb 0.60 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 2ej4 h VAL 84 CO -0.75 0.04 -0.06 0.45 -1.01 0.00 0.00 177.57 176.24 2ej4 h HIS 85 N 0.22 -0.15 -0.79 3.17 3.86 -0.12 -3.32 115.15 118.02 2ej4 h HIS 85 Ca 0.69 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 60.07 2ej4 h HIS 85 Cb 2.06 0.05 -0.11 0.00 1.06 0.00 0.00 27.41 30.47 2ej4 h HIS 85 CO -0.00 0.21 0.25 1.79 0.86 0.00 0.00 177.93 181.03 2ej4 h THR 86 N -0.97 0.51 0.00 2.45 1.35 -0.65 -3.46 112.91 112.15 2ej4 h THR 86 Ca -0.02 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2ej4 h THR 86 Cb 0.43 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 2ej4 h THR 86 CO 0.03 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 2ej4 n GLY 87 N -1.35 1.06 0.00 5.82 0.00 0.19 -5.08 105.19 105.84 2ej4 n GLY 87 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2ej4 n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ej4 n GLU 88 N -0.88 2.02 -3.26 1.61 0.00 -1.25 -4.93 120.64 113.96 2ej4 n GLU 88 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.77 2ej4 n GLU 88 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 2ej4 n GLU 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2ej4 s LYS 89 N 0.00 4.19 0.19 5.31 -2.85 -1.26 -4.88 119.74 120.43 2ej4 s LYS 89 Ca 0.00 0.40 0.07 0.00 -1.00 0.00 0.00 55.97 55.45 2ej4 s LYS 89 Cb 0.00 -3.56 -0.04 0.00 -2.06 0.00 0.00 37.83 32.17 2ej4 s LYS 89 CO 0.00 -0.14 0.01 -1.54 0.10 0.00 0.00 175.35 173.78 2ej4 s SER 90 N 1.14 4.80 1.09 0.03 1.04 -1.26 -4.93 113.70 115.61 2ej4 s SER 90 Ca 0.24 -0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.10 2ej4 s SER 90 Cb -0.15 -1.02 0.23 0.00 0.10 0.00 0.00 66.02 65.18 2ej4 s SER 90 CO 0.10 0.07 1.14 -0.83 0.98 0.00 0.00 173.24 174.70 2ej4 s GLY 91 N -3.06 1.60 0.12 7.32 0.00 -1.26 -4.92 107.32 107.12 2ej4 s GLY 91 Ca 0.28 -0.80 0.18 0.00 0.00 0.00 0.00 44.72 44.38 2ej4 s GLY 91 CO 0.19 -0.04 1.57 -1.55 0.00 0.00 0.00 173.10 173.28 2ej4 n PRO 92 N -4.37 0.09 -1.93 2.90 -0.04 -1.26 -4.87 135.00 125.53 2ej4 n PRO 92 Ca 0.11 0.34 -0.15 0.00 -0.04 0.00 0.00 63.50 63.76 2ej4 n PRO 92 Cb 0.59 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2ej4 n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ej4 n SER 93 N -1.84 -4.60 -4.09 3.54 2.88 -1.26 -4.94 113.62 103.32 2ej4 n SER 93 Ca 0.03 0.14 -0.42 0.00 -1.33 0.00 0.00 58.87 57.29 2ej4 n SER 93 Cb 0.19 -3.61 -0.01 0.00 -0.75 0.00 0.00 64.21 60.04 2ej4 n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ej4 n SER 94 N -0.64 5.67 0.00 -3.46 7.64 -1.26 -5.26 113.62 116.30 2ej4 n SER 94 Ca -0.16 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.46 2ej4 n SER 94 Cb 0.57 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2ej4 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64