#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 4.44 -0.06 1.61 0.01 -1.26 -5.14 113.70 113.30 2ej4 s SER 2 Ca 0.00 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 56.25 2ej4 s SER 2 Cb 0.00 -0.52 0.02 0.00 0.21 0.00 0.00 66.02 65.73 2ej4 s SER 2 CO 0.00 -0.47 -0.05 -0.94 0.41 0.00 0.00 173.24 172.19 2ej4 s SER 3 N -3.88 1.40 0.09 2.44 1.04 -1.26 -5.14 113.70 108.39 2ej4 s SER 3 Ca 0.40 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.71 2ej4 s SER 3 Cb 0.02 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 2ej4 s SER 3 CO 0.22 -0.07 -0.03 -0.83 0.98 0.00 0.00 173.24 173.50 2ej4 s GLY 4 N 1.19 1.88 0.00 7.32 0.00 -1.26 -5.00 107.32 111.44 2ej4 s GLY 4 Ca -0.06 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2ej4 s GLY 4 CO -0.02 -1.13 0.75 1.44 0.00 0.00 0.00 173.10 174.15 2ej4 n SER 5 N 0.65 -0.00 -0.31 1.64 7.64 -1.26 -4.94 113.62 117.04 2ej4 n SER 5 Ca -0.12 -1.50 0.30 0.00 1.01 0.00 0.00 58.87 58.57 2ej4 n SER 5 Cb 0.52 -0.09 0.56 0.00 -1.01 0.00 0.00 64.21 64.19 2ej4 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ej4 n SER 6 N 0.01 0.32 0.00 6.43 3.41 -1.26 -4.83 113.62 117.70 2ej4 n SER 6 Ca -0.00 1.55 0.00 0.00 -0.26 0.00 0.00 58.87 60.16 2ej4 n SER 6 Cb 0.61 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2ej4 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ej4 n GLY 7 N -1.26 0.39 3.61 5.00 0.00 -1.26 -4.90 105.19 106.77 2ej4 n GLY 7 Ca 0.36 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2ej4 n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ej4 s GLN 8 N 0.00 0.49 0.39 1.61 -2.07 -1.26 -5.16 119.66 113.66 2ej4 s GLN 8 Ca 0.00 0.33 -0.26 0.00 -1.82 0.00 0.00 55.36 53.61 2ej4 s GLN 8 Cb 0.00 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 32.07 2ej4 s GLN 8 CO 0.00 -0.11 1.19 -1.25 -1.32 0.00 0.00 175.29 173.80 2ej4 s PRO 9 N -0.44 4.11 1.01 9.60 0.04 -1.26 -4.98 135.00 143.08 2ej4 s PRO 9 Ca 0.02 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 2ej4 s PRO 9 Cb -0.03 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 2ej4 s PRO 9 CO -0.03 -0.29 -0.65 1.51 0.04 0.00 0.00 177.00 177.58 2ej4 n ILE 10 N 0.22 0.00 -0.61 0.56 3.06 -1.26 -4.92 119.36 116.42 2ej4 n ILE 10 Ca 0.03 -0.27 -0.29 0.00 -2.50 0.00 0.00 62.75 59.73 2ej4 n ILE 10 Cb 0.46 -0.22 0.25 0.00 0.54 0.00 0.00 39.64 40.67 2ej4 n ILE 10 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2ej4 s LYS 11 N -2.56 -1.35 1.12 9.51 1.02 -1.26 -4.98 119.74 121.24 2ej4 s LYS 11 Ca 0.45 0.55 -0.17 0.00 0.02 0.00 0.00 55.97 56.82 2ej4 s LYS 11 Cb -0.10 -1.53 0.19 0.00 -0.52 0.00 0.00 37.83 35.88 2ej4 s LYS 11 CO 0.72 -3.94 0.32 0.00 -0.92 0.00 0.00 175.35 171.54 2ej4 n GLN 12 N -5.03 -2.49 -3.77 1.68 0.00 -1.26 -4.90 117.38 101.62 2ej4 n GLN 12 Ca 0.06 -0.73 -0.30 0.00 0.00 0.00 0.00 57.00 56.03 2ej4 n GLN 12 Cb 0.56 -1.62 -0.14 0.00 0.00 0.00 0.00 30.24 29.04 2ej4 n GLN 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2ej4 s GLU 13 N -3.72 1.19 0.16 2.61 -1.05 -1.25 -4.16 118.70 112.48 2ej4 s GLU 13 Ca 0.47 -1.77 -0.16 0.00 -0.15 0.00 0.00 54.97 53.37 2ej4 s GLU 13 Cb -0.09 -2.40 0.10 0.00 -0.44 0.00 0.00 34.13 31.30 2ej4 s GLU 13 CO 0.47 -1.08 1.72 -0.07 0.95 0.00 0.00 175.26 177.24 2ej4 h LEU 14 N 7.19 -0.06 -0.11 1.83 3.38 -1.74 -3.46 115.31 122.35 2ej4 h LEU 14 Ca -0.05 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2ej4 h LEU 14 Cb 0.96 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2ej4 h LEU 14 CO 0.50 0.01 -0.18 -1.20 0.09 0.00 0.00 178.44 177.65 2ej4 n SER 15 N -5.13 -1.26 -3.74 -0.43 7.64 -1.26 -4.92 113.62 104.51 2ej4 n SER 15 Ca 0.02 0.26 -0.30 0.00 1.01 0.00 0.00 58.87 59.86 2ej4 n SER 15 Cb 0.18 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.84 2ej4 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ej4 n LYS 17 N 3.60 2.98 -3.34 0.00 4.76 -1.26 -2.37 118.16 122.52 2ej4 n LYS 17 Ca 0.07 -1.87 -0.46 0.00 -2.87 0.00 0.00 58.31 53.18 2ej4 n LYS 17 Cb 0.35 -2.64 -0.03 0.00 -1.84 0.00 0.00 35.03 30.86 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 2.73 3.59 -0.89 2.13 -0.11 -1.26 -2.97 118.94 122.16 2ej4 s TRP 18 Ca 0.56 -1.80 -0.22 0.00 1.22 0.00 0.00 56.10 55.87 2ej4 s TRP 18 Cb 0.14 -3.79 0.08 0.00 -1.50 0.00 0.00 33.47 28.41 2ej4 s TRP 18 CO -0.05 -1.00 1.22 0.42 -4.62 0.00 0.00 176.95 172.92 2ej4 s ILE 19 N 0.63 4.27 1.10 5.86 1.01 -1.24 -2.33 121.20 130.51 2ej4 s ILE 19 Ca 0.13 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 2ej4 s ILE 19 Cb -0.17 -4.87 0.28 0.00 0.01 0.00 0.00 42.46 37.72 2ej4 s ILE 19 CO -0.05 -1.68 0.74 -0.67 0.00 0.00 0.00 174.94 173.28 2ej4 n ASP 20 N 7.86 -3.18 -4.09 3.58 -0.08 -1.26 -4.42 116.55 114.95 2ej4 n ASP 20 Ca 0.19 -0.79 -0.24 0.00 -1.51 0.00 0.00 54.79 52.44 2ej4 n ASP 20 Cb 0.49 -0.79 -0.16 0.00 2.34 0.00 0.00 41.12 43.01 2ej4 n ASP 20 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2ej4 s GLU 21 N -4.73 1.47 0.00 -0.67 2.12 -1.26 -4.70 118.70 110.93 2ej4 s GLU 21 Ca 0.54 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.36 2ej4 s GLU 21 Cb -0.08 -1.31 0.00 0.00 0.26 0.00 0.00 34.13 33.00 2ej4 s GLU 21 CO 0.44 0.21 0.00 0.00 -0.54 0.00 0.00 175.26 175.36 2ej4 n ALA 22 N 3.16 0.00 -1.52 6.30 0.00 -1.26 -4.94 120.51 122.26 2ej4 n ALA 22 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 2ej4 n ALA 22 Cb 0.53 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.42 0.63 -0.31 0.00 10.64 -1.26 -4.87 117.38 121.79 2ej4 n GLN 23 Ca 0.00 0.25 0.01 0.00 -1.83 0.00 0.00 57.00 55.43 2ej4 n GLN 23 Cb 0.32 -1.88 0.15 0.00 -0.86 0.00 0.00 30.24 27.96 2ej4 n GLN 23 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2ej4 h LEU 24 N 0.28 0.81 -8.31 2.61 -0.00 -2.01 -3.36 115.31 105.33 2ej4 h LEU 24 Ca -0.47 0.02 -0.57 0.00 -0.00 0.00 0.00 57.88 56.86 2ej4 h LEU 24 Cb 1.39 -0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 41.80 2ej4 h LEU 24 CO 0.48 0.51 0.89 -0.44 -0.00 0.00 0.00 178.44 179.87 2ej4 s SER 25 N -5.74 6.17 0.29 -0.43 0.01 -1.26 -5.00 113.70 107.74 2ej4 s SER 25 Ca -0.13 -0.67 0.09 0.00 1.31 0.00 0.00 55.95 56.55 2ej4 s SER 25 Cb 0.19 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2ej4 s SER 25 CO 0.79 -1.69 0.09 -0.13 0.41 0.00 0.00 173.24 172.71 2ej4 s ARG 26 N 5.12 2.46 0.91 12.44 1.81 -1.26 -4.16 118.95 136.27 2ej4 s ARG 26 Ca 0.31 -1.38 -0.12 0.00 -1.72 0.00 0.00 55.73 52.82 2ej4 s ARG 26 Cb -0.11 -2.26 0.14 0.00 -0.45 0.00 0.00 34.95 32.27 2ej4 s ARG 26 CO 0.13 0.28 1.09 -1.25 -0.68 0.00 0.00 175.30 174.87 2ej4 s PRO 27 N -3.77 1.14 -0.96 3.54 0.04 -1.26 -4.95 135.00 128.78 2ej4 s PRO 27 Ca 0.34 0.78 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 2ej4 s PRO 27 Cb -0.05 -1.80 -0.28 0.00 0.04 0.00 0.00 34.50 32.41 2ej4 s PRO 27 CO 0.22 -2.31 2.33 1.63 0.04 0.00 0.00 177.00 178.91 2ej4 n LYS 28 N -3.92 0.10 -3.91 4.56 5.02 -1.26 -4.86 118.16 113.88 2ej4 n LYS 28 Ca 0.07 -0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 2ej4 n LYS 28 Cb 0.55 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 2ej4 n LYS 28 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2ej4 s LYS 29 N 7.77 3.45 0.03 1.97 0.00 -1.26 -5.00 119.74 126.70 2ej4 s LYS 29 Ca 1.28 -0.61 -0.30 0.00 0.00 0.00 0.00 55.97 56.33 2ej4 s LYS 29 Cb -0.86 -2.93 -0.06 0.00 0.00 0.00 0.00 37.83 33.99 2ej4 s LYS 29 CO 0.49 0.48 1.44 -1.54 0.00 0.00 0.00 175.35 176.22 2ej4 s SER 30 N -3.44 6.80 0.54 0.03 1.04 -1.26 -4.47 113.70 112.94 2ej4 s SER 30 Ca 0.35 2.20 0.41 0.00 0.48 0.00 0.00 55.95 59.39 2ej4 s SER 30 Cb -0.10 -2.56 1.40 0.00 0.10 0.00 0.00 66.02 64.85 2ej4 s SER 30 CO 0.29 -0.74 1.40 0.00 0.98 0.00 0.00 173.24 175.17 2ej4 n ASP 32 N -3.61 0.00 -1.12 0.00 8.00 -1.00 -4.93 116.55 113.90 2ej4 n ASP 32 Ca 0.36 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.97 2ej4 n ASP 32 Cb 1.78 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.85 2ej4 n ASP 32 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ej4 n ARG 33 N 0.00 -1.66 -3.63 -1.24 5.12 -1.26 -0.46 116.66 113.52 2ej4 n ARG 33 Ca 0.00 1.09 -0.05 0.00 -1.93 0.00 0.00 57.85 56.97 2ej4 n ARG 33 Cb 0.00 -2.02 -0.06 0.00 -1.16 0.00 0.00 32.46 29.21 2ej4 n ARG 33 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ej4 s THR 34 N -1.35 -0.13 0.10 0.55 -4.23 -1.26 -4.42 115.64 104.90 2ej4 s THR 34 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 2ej4 s THR 34 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 2ej4 s THR 34 CO 0.00 0.00 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.62 2ej4 s PHE 35 N 1.73 1.07 -0.13 3.99 0.40 -1.26 -4.92 117.98 118.86 2ej4 s PHE 35 Ca -0.09 -0.69 0.12 0.00 -0.60 0.00 0.00 56.93 55.67 2ej4 s PHE 35 Cb -0.05 -0.58 -0.17 0.00 0.51 0.00 0.00 43.02 42.73 2ej4 s PHE 35 CO -0.18 -0.00 0.05 0.43 0.70 0.00 0.00 175.22 176.21 2ej4 n SER 36 N 0.42 1.71 -4.60 1.36 7.64 -1.26 -2.01 113.62 116.87 2ej4 n SER 36 Ca -0.15 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.41 2ej4 n SER 36 Cb 0.58 0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 64.52 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 -2.33 3.66 0.35 0.44 -4.23 -1.26 -4.66 115.64 107.61 2ej4 s THR 37 Ca -0.07 -0.85 0.23 0.00 -1.18 0.00 0.00 61.69 59.82 2ej4 s THR 37 Cb 0.04 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.49 2ej4 s THR 37 CO 0.55 0.34 1.96 -0.03 -0.54 0.00 0.00 174.62 176.90 2ej4 h MET 38 N 4.32 0.00 -0.65 3.99 4.05 -2.01 -2.76 114.93 121.86 2ej4 h MET 38 Ca -0.48 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.87 2ej4 h MET 38 Cb 1.17 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 2ej4 h MET 38 CO 0.54 0.20 0.15 1.25 0.23 0.00 0.00 176.91 179.28 2ej4 h HIS 39 N 0.00 1.10 0.57 1.39 -0.00 -2.00 -2.79 115.15 113.42 2ej4 h HIS 39 Ca -0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.21 2ej4 h HIS 39 Cb 0.49 -0.31 0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2ej4 h HIS 39 CO 0.00 0.91 -0.27 0.93 -0.00 0.00 0.00 177.93 179.50 2ej4 h GLU 40 N 0.97 -0.73 -0.42 5.26 4.39 -1.90 -1.03 114.58 121.12 2ej4 h GLU 40 Ca 0.20 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.01 2ej4 h GLU 40 Cb 0.37 0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 29.10 2ej4 h GLU 40 CO 0.00 -0.46 -0.50 1.25 -1.16 0.00 0.00 179.01 178.15 2ej4 h LEU 41 N -0.85 -1.66 -0.82 1.33 5.85 -1.54 1.43 115.31 119.05 2ej4 h LEU 41 Ca -0.08 0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.97 2ej4 h LEU 41 Cb 0.62 0.70 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 2ej4 h LEU 41 CO 0.13 -0.39 0.47 0.58 -0.34 0.00 0.00 178.44 178.89 2ej4 h VAL 42 N -0.36 0.92 0.00 1.05 2.07 -1.49 0.98 116.25 119.41 2ej4 h VAL 42 Ca 0.11 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2ej4 h VAL 42 Cb 0.59 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2ej4 h VAL 42 CO -0.59 0.15 0.00 0.74 0.02 0.00 0.00 177.57 177.88 2ej4 h THR 43 N 0.80 0.00 0.08 2.57 2.02 0.39 -3.06 112.91 115.71 2ej4 h THR 43 Ca 0.39 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2ej4 h THR 43 Cb 0.35 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2ej4 h THR 43 CO -0.24 0.00 -0.04 -0.74 0.37 0.00 0.00 175.52 174.87 2ej4 h HIS 44 N 0.00 -0.10 0.00 3.16 6.17 0.44 -3.25 115.15 121.57 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 0.66 0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.62 2ej4 h HIS 44 CO 0.00 -0.06 0.10 0.28 0.71 0.00 0.00 177.93 178.96 2ej4 n VAL 45 N -3.33 1.15 0.14 5.26 0.31 -0.70 0.07 118.33 121.22 2ej4 n VAL 45 Ca -0.01 0.66 -0.06 0.00 -0.01 0.00 0.00 64.34 64.92 2ej4 n VAL 45 Cb 0.04 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.28 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 0.01 2.52 2.02 -1.59 0.30 112.91 116.17 2ej4 h THR 46 Ca 0.00 -0.34 -0.32 0.00 0.77 0.00 0.00 66.41 66.51 2ej4 h THR 46 Cb 0.20 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 2ej4 h THR 46 CO 0.00 0.00 -1.78 1.15 0.37 0.00 0.00 175.52 175.26 2ej4 n MET 47 N -4.05 0.60 -0.34 6.66 0.00 -1.03 0.57 117.12 119.53 2ej4 n MET 47 Ca -0.05 0.43 0.18 0.00 0.00 0.00 0.00 57.70 58.26 2ej4 n MET 47 Cb 0.16 -1.66 0.39 0.00 0.00 0.00 0.00 33.22 32.11 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 -0.83 0.56 0.00 3.17 4.39 -0.60 -1.91 114.58 119.37 2ej4 h GLU 48 Ca -0.47 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2ej4 h GLU 48 Cb 1.51 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2ej4 h GLU 48 CO -0.24 0.37 0.00 0.72 -1.16 0.00 0.00 179.01 178.70 2ej4 n HIS 49 N -4.86 0.00 0.06 4.33 8.25 -1.20 -4.69 115.22 117.11 2ej4 n HIS 49 Ca 0.27 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.89 2ej4 n HIS 49 Cb 0.75 0.00 0.37 0.00 1.12 0.00 0.00 29.99 32.23 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 -0.12 -3.44 116.25 116.40 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 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 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 -1.57 1.59 0.00 2.17 0.00 0.19 -4.74 105.19 102.84 2ej4 n GLY 51 Ca 0.11 -0.05 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 0.62 0.00 -0.02 0.00 -1.10 -4.28 105.19 100.41 2ej4 n GLY 52 Ca 0.00 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.87 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 0.22 -2.05 1.61 -0.04 -1.26 -2.90 135.00 130.58 2ej4 n PRO 53 Ca 0.00 0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 2ej4 n PRO 53 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.28 3.36 -4.41 0.54 -0.58 -1.26 -5.02 120.64 111.99 2ej4 n GLU 54 Ca 0.07 -4.10 -0.22 0.00 -0.42 0.00 0.00 57.16 52.49 2ej4 n GLU 54 Cb 0.12 -2.27 -0.10 0.00 -0.57 0.00 0.00 31.44 28.61 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 -3.65 1.51 -0.28 3.49 -0.44 -1.14 -5.05 119.66 114.09 2ej4 s GLN 55 Ca 0.52 -1.66 -0.01 0.00 -2.50 0.00 0.00 55.36 51.72 2ej4 s GLN 55 Cb 0.42 -1.52 0.04 0.00 -1.64 0.00 0.00 33.01 30.32 2ej4 s GLN 55 CO -0.07 0.28 -0.04 0.54 0.50 0.00 0.00 175.29 176.50 2ej4 s ASN 56 N -3.30 4.65 0.00 6.67 2.20 -1.26 -4.91 114.94 118.99 2ej4 s ASN 56 Ca 0.25 -1.18 0.00 0.00 -0.94 0.00 0.00 52.86 50.99 2ej4 s ASN 56 Cb -0.04 -1.67 0.00 0.00 -2.00 0.00 0.00 41.25 37.54 2ej4 s ASN 56 CO 0.11 -0.21 0.00 -3.20 -2.94 0.00 0.00 177.10 170.86 2ej4 n ASN 57 N 4.60 -1.80 -4.63 3.54 4.05 -1.26 -5.01 115.26 114.75 2ej4 n ASN 57 Ca -0.14 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.50 2ej4 n ASN 57 Cb 0.44 -0.90 -0.09 0.00 1.23 0.00 0.00 39.78 40.46 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 0.00 3.29 -0.03 1.20 3.76 -1.26 -5.06 115.29 117.18 2ej4 s HIS 58 Ca 0.00 0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 2ej4 s HIS 58 Cb 0.00 -2.54 0.01 0.00 1.11 0.00 0.00 32.58 31.17 2ej4 s HIS 58 CO 0.00 -0.14 -0.06 0.08 -0.85 0.00 0.00 174.74 173.77 2ej4 s VAL 59 N 1.78 0.56 -0.46 -0.90 1.01 -1.26 -1.90 120.40 119.23 2ej4 s VAL 59 Ca 0.16 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 2ej4 s VAL 59 Cb -0.15 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.71 2ej4 s VAL 59 CO 0.09 0.21 0.90 0.00 0.00 0.00 0.00 175.10 176.30 2ej4 s TYR 61 N 3.69 3.10 0.26 0.00 2.02 -1.26 -1.93 117.35 123.23 2ej4 s TYR 61 Ca 0.36 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.40 2ej4 s TYR 61 Cb -0.10 -2.25 -0.00 0.00 -0.40 0.00 0.00 41.96 39.20 2ej4 s TYR 61 CO 0.26 -0.41 0.46 -0.46 -1.57 0.00 0.00 175.55 173.83 2ej4 s TRP 62 N 1.59 0.48 -0.03 2.71 -0.11 -1.26 -3.64 118.94 118.69 2ej4 s TRP 62 Ca 0.06 -0.83 -0.09 0.00 1.22 0.00 0.00 56.10 56.45 2ej4 s TRP 62 Cb -0.16 0.13 -0.30 0.00 -1.50 0.00 0.00 33.47 31.64 2ej4 s TRP 62 CO 0.03 -1.00 0.75 1.49 -4.62 0.00 0.00 176.95 173.60 2ej4 h GLU 63 N 2.26 0.37 -1.99 5.86 4.81 -1.91 -3.40 114.58 120.58 2ej4 h GLU 63 Ca -0.27 -0.64 -0.55 0.00 -0.13 0.00 0.00 59.36 57.77 2ej4 h GLU 63 Cb 1.25 0.24 -0.41 0.00 0.63 0.00 0.00 28.75 30.45 2ej4 h GLU 63 CO 0.37 1.28 -0.80 0.39 -0.73 0.00 0.00 179.01 179.52 2ej4 n GLU 64 N -3.57 2.72 -4.31 1.92 1.02 -1.26 -5.07 120.64 112.10 2ej4 n GLU 64 Ca -0.22 -4.41 -0.33 0.00 -0.02 0.00 0.00 57.16 52.18 2ej4 n GLU 64 Cb 1.07 -2.08 -0.09 0.00 -0.02 0.00 0.00 31.44 30.32 2ej4 n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ej4 h PRO 66 N 4.48 0.71 0.00 0.00 0.13 -1.97 -2.94 132.00 132.40 2ej4 h PRO 66 Ca -0.49 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2ej4 h PRO 66 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ej4 h PRO 66 CO 0.57 0.99 0.00 0.00 -0.23 0.00 0.00 178.00 179.33 2ej4 h ARG 67 N 0.45 0.00 -4.45 0.86 3.08 -1.96 -3.46 114.38 108.91 2ej4 h ARG 67 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2ej4 h ARG 67 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2ej4 h ARG 67 CO 0.07 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.36 2ej4 n GLU 68 N -2.33 -2.70 -1.18 0.04 1.02 -1.11 0.08 120.64 114.46 2ej4 n GLU 68 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2ej4 n GLU 68 Cb 0.28 -4.03 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 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 -0.43 0.54 0.01 0.62 0.00 -0.81 -4.97 105.19 100.16 2ej4 n GLY 69 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.82 2ej4 n GLY 69 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ej4 n LYS 70 N -0.67 0.05 -0.69 1.61 2.85 0.11 -4.85 118.16 116.56 2ej4 n LYS 70 Ca 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2ej4 n LYS 70 Cb 0.31 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2ej4 n LYS 70 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2ej4 n SER 71 N -1.61 -3.84 -3.62 -5.58 7.64 -1.26 -5.04 113.62 100.31 2ej4 n SER 71 Ca 0.06 0.76 -0.15 0.00 1.01 0.00 0.00 58.87 60.55 2ej4 n SER 71 Cb 0.35 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 2ej4 n SER 71 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2ej4 n PHE 72 N -1.75 -1.06 0.19 1.43 3.01 -0.80 -4.99 117.46 113.49 2ej4 n PHE 72 Ca 0.00 -1.32 0.09 0.00 1.01 0.00 0.00 57.45 57.22 2ej4 n PHE 72 Cb 0.16 -0.26 -0.13 0.00 -0.01 0.00 0.00 39.48 39.25 2ej4 n PHE 72 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ej4 n LYS 73 N -1.26 0.74 -4.23 -1.08 4.01 -1.26 -4.76 118.16 110.32 2ej4 n LYS 73 Ca -0.01 -0.12 -0.16 0.00 -0.51 0.00 0.00 58.31 57.51 2ej4 n LYS 73 Cb 0.36 -1.39 -0.11 0.00 -0.51 0.00 0.00 35.03 33.38 2ej4 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ej4 s ALA 74 N -3.07 1.40 0.03 7.82 0.00 -1.26 -5.08 121.76 121.60 2ej4 s ALA 74 Ca -0.03 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.42 2ej4 s ALA 74 Cb 0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 2ej4 s ALA 74 CO 0.72 0.02 1.20 -0.22 0.00 0.00 0.00 175.76 177.48 2ej4 h LYS 75 N 3.33 -0.65 -0.71 0.00 3.11 -1.96 -3.16 116.57 116.53 2ej4 h LYS 75 Ca -0.38 0.04 0.15 0.00 -2.81 0.00 0.00 60.65 57.65 2ej4 h LYS 75 Cb 1.19 0.15 -0.10 0.00 -1.00 0.00 0.00 32.23 32.47 2ej4 h LYS 75 CO 0.54 -0.44 0.19 0.10 -2.81 0.00 0.00 179.45 177.04 2ej4 h TYR 76 N -0.72 0.31 -0.95 1.91 -0.00 -1.98 -0.39 116.97 115.15 2ej4 h TYR 76 Ca -0.07 0.04 0.40 0.00 -0.00 0.00 0.00 58.73 59.10 2ej4 h TYR 76 Cb 0.52 -0.03 -0.17 0.00 -0.00 0.00 0.00 36.73 37.05 2ej4 h TYR 76 CO 0.10 -0.04 0.50 1.63 -0.00 0.00 0.00 178.16 180.35 2ej4 n LYS 77 N -5.12 -0.06 0.01 0.10 5.02 -1.20 -0.03 118.16 116.89 2ej4 n LYS 77 Ca 0.13 1.31 -0.01 0.00 -2.02 0.00 0.00 58.31 57.73 2ej4 n LYS 77 Cb 0.42 -2.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.07 2ej4 n LYS 77 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ej4 h LEU 78 N 0.00 -0.03 -1.81 -0.35 5.85 -1.08 -2.49 115.31 115.40 2ej4 h LEU 78 Ca 0.80 0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.77 2ej4 h LEU 78 Cb 2.12 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 43.12 2ej4 h LEU 78 CO -0.73 -0.02 0.77 0.58 -0.34 0.00 0.00 178.44 178.70 2ej4 h VAL 79 N -0.05 0.31 -0.29 1.05 2.07 -1.25 0.34 116.25 118.43 2ej4 h VAL 79 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 2ej4 h VAL 79 Cb 0.03 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2ej4 h VAL 79 CO 0.01 0.00 -0.10 -1.13 0.02 0.00 0.00 177.57 176.36 2ej4 h ASN 80 N 0.00 0.60 0.16 0.57 -1.24 -0.38 -3.07 115.58 112.21 2ej4 h ASN 80 Ca 0.41 -0.39 -0.22 0.00 0.71 0.00 0.00 56.30 56.81 2ej4 h ASN 80 Cb 1.94 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 40.83 2ej4 h ASN 80 CO -0.00 0.85 -0.88 -0.74 -1.29 0.00 0.00 177.43 175.36 2ej4 h HIS 81 N 0.34 0.77 -0.94 0.67 2.76 0.06 -3.24 115.15 115.58 2ej4 h HIS 81 Ca 0.07 -0.39 0.19 0.00 -2.20 0.00 0.00 60.37 58.05 2ej4 h HIS 81 Cb 0.61 -0.10 -0.11 0.00 1.55 0.00 0.00 27.41 29.36 2ej4 h HIS 81 CO 0.06 1.20 0.52 0.82 -1.30 0.00 0.00 177.93 179.22 2ej4 h ILE 82 N 0.33 0.64 -0.81 6.26 2.04 -1.07 -0.72 117.51 124.18 2ej4 h ILE 82 Ca -0.07 -0.21 0.19 0.00 1.00 0.00 0.00 64.86 65.77 2ej4 h ILE 82 Cb 1.51 -0.04 -0.14 0.00 -0.74 0.00 0.00 36.82 37.41 2ej4 h ILE 82 CO 0.16 0.11 0.06 0.03 0.00 0.00 0.00 178.15 178.52 2ej4 h ARG 83 N 0.62 0.12 -1.10 2.37 3.08 -1.56 0.65 114.38 118.57 2ej4 h ARG 83 Ca 0.55 -0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.90 2ej4 h ARG 83 Cb 0.92 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.88 2ej4 h ARG 83 CO -0.42 0.08 0.76 -0.24 -1.07 0.00 0.00 179.97 179.08 2ej4 h VAL 84 N 0.12 0.46 0.04 2.04 3.04 -1.31 0.14 116.25 120.79 2ej4 h VAL 84 Ca 0.46 -0.04 -0.08 0.00 -1.01 0.00 0.00 66.70 66.03 2ej4 h VAL 84 Cb 0.85 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2ej4 h VAL 84 CO -0.68 0.02 -0.36 0.45 -1.01 0.00 0.00 177.57 175.99 2ej4 h HIS 85 N 0.13 0.17 -0.83 3.17 3.86 0.17 -3.32 115.15 118.50 2ej4 h HIS 85 Ca 0.56 -0.12 0.14 0.00 -1.16 0.00 0.00 60.37 59.78 2ej4 h HIS 85 Cb 1.94 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 30.34 2ej4 h HIS 85 CO -0.00 1.14 0.54 1.79 0.86 0.00 0.00 177.93 182.26 2ej4 h THR 86 N -0.80 0.84 0.00 2.45 1.35 -0.44 -3.46 112.91 112.86 2ej4 h THR 86 Ca -0.07 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2ej4 h THR 86 Cb 1.23 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2ej4 h THR 86 CO 0.03 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 2ej4 n GLY 87 N -1.46 0.31 0.00 5.82 0.00 -0.13 -5.08 105.19 104.65 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 -1.69 1.86 -1.34 1.61 2.13 -1.24 -4.30 120.64 117.67 2ej4 n GLU 88 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2ej4 n GLU 88 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2ej4 n GLU 88 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2ej4 n LYS 89 N 0.00 -1.54 -1.53 5.31 4.81 -1.26 -4.54 118.16 119.41 2ej4 n LYS 89 Ca 0.00 0.89 0.02 0.00 -0.87 0.00 0.00 58.31 58.34 2ej4 n LYS 89 Cb 0.00 -5.18 -0.01 0.00 0.02 0.00 0.00 35.03 29.86 2ej4 n LYS 89 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2ej4 n SER 90 N -0.85 -8.26 -4.23 3.14 2.88 -1.26 -4.87 113.62 100.17 2ej4 n SER 90 Ca -0.13 1.81 -0.34 0.00 -1.33 0.00 0.00 58.87 58.88 2ej4 n SER 90 Cb 0.54 -4.97 0.13 0.00 -0.75 0.00 0.00 64.21 59.16 2ej4 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ej4 n GLY 91 N -2.76 -2.67 3.77 0.46 0.00 -1.26 -4.91 105.19 97.83 2ej4 n GLY 91 Ca -0.01 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2ej4 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ej4 s PRO 92 N -3.10 3.78 0.27 1.61 0.04 -1.26 -5.05 135.00 131.28 2ej4 s PRO 92 Ca 0.51 1.78 0.06 0.00 0.04 0.00 0.00 61.00 63.40 2ej4 s PRO 92 Cb -0.09 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2ej4 s PRO 92 CO 0.68 -0.54 0.29 -1.54 0.04 0.00 0.00 177.00 175.93 2ej4 s SER 93 N -1.34 5.84 0.54 6.66 1.04 -1.26 -5.13 113.70 120.04 2ej4 s SER 93 Ca 0.63 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.96 2ej4 s SER 93 Cb -0.29 -1.51 0.04 0.00 0.10 0.00 0.00 66.02 64.36 2ej4 s SER 93 CO 0.35 -0.12 0.39 -0.94 0.98 0.00 0.00 173.24 173.89 2ej4 s SER 94 N -3.94 4.61 0.00 7.02 1.04 -1.26 -5.32 113.70 115.84 2ej4 s SER 94 Ca 0.35 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2ej4 s SER 94 Cb -0.08 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2ej4 s SER 94 CO 0.27 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.00