#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zjr n HIS 3 N 0.00 -3.13 0.03 7.33 8.25 -1.26 -4.84 115.22 121.59 2zjr n HIS 3 Ca 0.00 0.82 0.01 0.00 -0.26 0.00 0.00 57.72 58.29 2zjr n HIS 3 Cb 0.00 1.93 0.05 0.00 1.12 0.00 0.00 29.99 33.10 2zjr n HIS 3 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2zjr n TYR 4 N -3.25 0.06 -1.25 4.41 4.01 -1.26 -4.46 117.16 115.42 2zjr n TYR 4 Ca 0.00 0.03 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 2zjr n TYR 4 Cb 0.00 -0.32 0.07 0.00 -0.31 0.00 0.00 39.34 38.78 2zjr n TYR 4 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2zjr n ASP 5 N -1.39 -0.07 0.00 7.72 3.85 -1.26 -4.60 116.55 120.80 2zjr n ASP 5 Ca -0.00 -1.12 0.00 0.00 -0.71 0.00 0.00 54.79 52.96 2zjr n ASP 5 Cb 0.25 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 2zjr n ASP 5 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 2zjr n ILE 6 N -2.64 0.00 -1.27 2.12 5.41 -1.26 -4.89 119.36 116.83 2zjr n ILE 6 Ca 0.05 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.42 2zjr n ILE 6 Cb 0.18 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.13 2zjr n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2zjr n LEU 7 N 0.00 -2.90 -0.01 1.39 -0.00 -1.26 -3.91 117.00 110.31 2zjr n LEU 7 Ca 0.00 0.64 -0.00 0.00 -0.00 0.00 0.00 56.01 56.64 2zjr n LEU 7 Cb 0.00 -0.91 -0.02 0.00 -0.00 0.00 0.00 43.42 42.49 2zjr n LEU 7 CO 0.00 -4.52 -0.56 1.67 -0.00 0.00 0.00 177.39 173.99 2zjr n GLN 8 N 1.22 2.65 0.00 1.47 -0.06 0.45 -4.87 117.38 118.24 2zjr n GLN 8 Ca 0.08 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 2zjr n GLN 8 Cb 0.48 -1.05 0.00 0.00 -4.06 0.00 0.00 30.24 25.60 2zjr n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2zjr n ALA 9 N -1.94 0.00 -2.23 1.69 0.00 -0.99 -4.98 120.51 112.06 2zjr n ALA 9 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 2zjr n ALA 9 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 2zjr n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2zjr s PRO 10 N -2.00 4.18 -0.41 0.00 0.04 -1.26 0.96 135.00 136.51 2zjr s PRO 10 Ca 0.00 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 2zjr s PRO 10 Cb 0.00 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.49 2zjr s PRO 10 CO 0.00 0.53 1.31 0.08 0.04 0.00 0.00 177.00 178.96 2zjr s VAL 11 N -1.31 4.04 0.00 -0.36 1.01 -0.73 -4.64 120.40 118.40 2zjr s VAL 11 Ca 0.35 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2zjr s VAL 11 Cb -0.18 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.89 2zjr s VAL 11 CO 0.20 -0.77 0.00 2.30 0.00 0.00 0.00 175.10 176.83 2zjr n ILE 12 N 6.84 0.00 -0.93 2.22 -0.00 -1.26 -4.69 119.36 121.53 2zjr n ILE 12 Ca 0.15 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 63.00 2zjr n ILE 12 Cb 0.48 -0.32 -0.03 0.00 -0.00 0.00 0.00 39.64 39.76 2zjr n ILE 12 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2zjr n SER 13 N 0.00 -4.59 -0.11 7.28 3.41 -1.26 -3.90 113.62 114.45 2zjr n SER 13 Ca 0.00 0.47 -0.25 0.00 -0.26 0.00 0.00 58.87 58.83 2zjr n SER 13 Cb 0.00 -2.99 -0.11 0.00 -0.26 0.00 0.00 64.21 60.84 2zjr n SER 13 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2zjr n GLU 14 N -2.98 0.61 -0.14 4.33 0.28 -1.26 -3.72 120.64 117.76 2zjr n GLU 14 Ca -0.01 0.33 -0.04 0.00 -0.16 0.00 0.00 57.16 57.27 2zjr n GLU 14 Cb 0.60 -1.59 0.02 0.00 1.43 0.00 0.00 31.44 31.90 2zjr n GLU 14 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2zjr h LYS 15 N -0.72 -0.10 -0.41 3.44 1.79 -1.94 1.10 116.57 119.74 2zjr h LYS 15 Ca -0.56 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.00 2zjr h LYS 15 Cb 1.63 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 32.21 2zjr h LYS 15 CO -0.26 -0.07 -0.22 0.00 -1.08 0.00 0.00 179.45 177.83 2zjr h ALA 16 N 1.23 0.06 -0.16 3.86 0.00 -1.77 0.74 119.26 123.22 2zjr h ALA 16 Ca 0.22 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2zjr h ALA 16 Cb 0.45 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2zjr h ALA 16 CO -0.53 -0.58 0.10 -0.92 0.00 0.00 0.00 179.25 177.31 2zjr h TYR 17 N -0.14 0.21 0.00 0.00 3.20 -0.82 0.10 116.97 119.52 2zjr h TYR 17 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2zjr h TYR 17 Cb 0.45 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2zjr h TYR 17 CO -0.45 0.17 0.00 -1.13 -1.64 0.00 0.00 178.16 175.11 2zjr n SER 18 N -4.95 0.03 -0.01 -2.11 3.41 0.35 -1.18 113.62 109.16 2zjr n SER 18 Ca -0.04 -1.84 0.06 0.00 -0.26 0.00 0.00 58.87 56.79 2zjr n SER 18 Cb 0.05 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 2zjr n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2zjr n ALA 19 N -0.49 2.48 -0.00 7.33 0.00 0.25 -4.40 120.51 125.68 2zjr n ALA 19 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 2zjr n ALA 19 Cb 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 2zjr n ALA 19 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2zjr h MET 20 N 0.00 0.50 0.00 0.00 -1.53 0.54 -1.73 114.93 112.71 2zjr h MET 20 Ca 0.00 -0.49 0.00 0.00 -3.44 0.00 0.00 59.70 55.77 2zjr h MET 20 Cb 0.58 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.76 2zjr h MET 20 CO 0.00 1.13 0.19 0.39 0.14 0.00 0.00 176.91 178.76 2zjr n GLU 21 N -4.16 0.00 -0.20 0.39 -0.58 -1.10 0.32 120.64 115.30 2zjr n GLU 21 Ca -0.10 0.26 0.09 0.00 -0.42 0.00 0.00 57.16 56.99 2zjr n GLU 21 Cb 0.68 -1.69 0.17 0.00 -0.57 0.00 0.00 31.44 30.03 2zjr n GLU 21 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2zjr n ARG 22 N -1.23 1.61 -2.03 3.49 1.85 -1.13 -4.96 116.66 114.25 2zjr n ARG 22 Ca 0.00 -2.71 -0.12 0.00 -1.00 0.00 0.00 57.85 54.02 2zjr n ARG 22 Cb 0.19 -1.58 -0.02 0.00 -1.05 0.00 0.00 32.46 30.00 2zjr n ARG 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2zjr n GLY 23 N -1.24 0.20 3.23 2.89 0.00 0.97 -4.99 105.19 106.25 2zjr n GLY 23 Ca 0.18 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2zjr n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zjr s VAL 24 N -2.57 3.33 -0.09 1.61 1.01 -0.67 -4.26 120.40 118.76 2zjr s VAL 24 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 2zjr s VAL 24 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2zjr s VAL 24 CO 0.00 -0.03 0.05 -0.31 0.00 0.00 0.00 175.10 174.81 2zjr s TYR 25 N 1.35 3.32 -0.01 5.22 2.02 -1.22 -2.54 117.35 125.49 2zjr s TYR 25 Ca -0.02 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 2zjr s TYR 25 Cb -0.19 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 2zjr s TYR 25 CO -0.00 0.57 -0.01 -1.54 -1.57 0.00 0.00 175.55 173.00 2zjr s SER 26 N -0.98 0.22 0.25 2.29 1.04 -1.26 -1.87 113.70 113.39 2zjr s SER 26 Ca 0.14 -0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.46 2zjr s SER 26 Cb -0.12 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2zjr s SER 26 CO 0.04 -0.01 0.42 0.72 0.98 0.00 0.00 173.24 175.38 2zjr s PHE 27 N 0.23 0.59 -0.48 5.02 -0.12 -0.63 -1.78 117.98 120.82 2zjr s PHE 27 Ca -0.02 -0.91 -0.23 0.00 -0.05 0.00 0.00 56.93 55.71 2zjr s PHE 27 Cb -0.04 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2zjr s PHE 27 CO -0.01 -0.95 0.82 -1.58 -0.05 0.00 0.00 175.22 173.45 2zjr s TRP 28 N -3.91 2.95 0.00 3.49 0.52 0.27 -0.72 118.94 121.54 2zjr s TRP 28 Ca 0.26 0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.49 2zjr s TRP 28 Cb 0.01 -3.77 0.00 0.00 -1.15 0.00 0.00 33.47 28.55 2zjr s TRP 28 CO 0.11 -1.08 0.00 1.33 0.02 0.00 0.00 176.95 177.33 2zjr n VAL 29 N 6.15 0.00 -3.37 4.03 0.24 -1.19 -0.41 118.33 123.77 2zjr n VAL 29 Ca 0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.99 2zjr n VAL 29 Cb 0.48 -1.45 -0.06 0.00 -1.47 0.00 0.00 33.84 31.34 2zjr n VAL 29 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2zjr s SER 30 N -1.00 6.71 0.17 -1.34 0.01 -1.25 -3.91 113.70 113.08 2zjr s SER 30 Ca 0.00 1.01 -0.21 0.00 1.31 0.00 0.00 55.95 58.06 2zjr s SER 30 Cb 0.00 -2.26 0.08 0.00 0.21 0.00 0.00 66.02 64.05 2zjr s SER 30 CO 0.00 -0.02 1.62 -0.65 0.41 0.00 0.00 173.24 174.60 2zjr h PRO 31 N 2.88 -0.18 -5.46 12.44 0.11 -1.90 -3.30 132.00 136.60 2zjr h PRO 31 Ca -0.48 0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.04 2zjr h PRO 31 Cb 1.18 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 2zjr h PRO 31 CO 0.68 -0.12 0.01 0.15 -0.21 0.00 0.00 178.00 178.51 2zjr s LYS 32 N -6.09 4.13 0.00 1.05 1.02 -1.26 -4.76 119.74 113.82 2zjr s LYS 32 Ca -0.15 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.25 2zjr s LYS 32 Cb 0.14 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2zjr s LYS 32 CO 0.69 -0.28 0.00 0.00 -0.92 0.00 0.00 175.35 174.84 2zjr n ALA 33 N 5.26 0.00 0.00 5.17 0.00 -1.24 -5.13 120.51 124.57 2zjr n ALA 33 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2zjr n ALA 33 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2zjr n ALA 33 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2zjr n THR 34 N 0.00 0.00 -0.07 0.00 -2.24 -1.26 -3.94 114.28 106.77 2zjr n THR 34 Ca 0.00 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 2zjr n THR 34 Cb 0.00 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.49 2zjr n THR 34 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2zjr n LYS 35 N 0.00 0.01 -0.03 -0.78 4.81 -1.26 -1.70 118.16 119.22 2zjr n LYS 35 Ca 0.00 0.78 -0.01 0.00 -0.87 0.00 0.00 58.31 58.21 2zjr n LYS 35 Cb 0.00 -1.98 -0.00 0.00 0.02 0.00 0.00 35.03 33.06 2zjr n LYS 35 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2zjr h THR 36 N 0.00 0.00 -0.70 3.15 1.35 -1.99 -2.54 112.91 112.18 2zjr h THR 36 Ca 0.30 -0.52 0.10 0.00 -0.55 0.00 0.00 66.41 65.74 2zjr h THR 36 Cb 2.13 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 68.45 2zjr h THR 36 CO -0.00 0.00 -0.31 -0.62 -0.25 0.00 0.00 175.52 174.34 2zjr n GLU 37 N -3.46 -0.20 -0.04 4.72 4.71 -0.69 0.18 120.64 125.86 2zjr n GLU 37 Ca -0.01 1.07 -0.08 0.00 -0.01 0.00 0.00 57.16 58.13 2zjr n GLU 37 Cb 0.05 -1.59 -0.02 0.00 -1.01 0.00 0.00 31.44 28.87 2zjr n GLU 37 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 2zjr h ILE 38 N 0.00 0.69 -0.36 -3.67 2.10 -1.65 0.51 117.51 115.13 2zjr h ILE 38 Ca 0.21 0.00 0.08 0.00 1.08 0.00 0.00 64.86 66.23 2zjr h ILE 38 Cb 0.39 0.69 -0.08 0.00 -1.09 0.00 0.00 36.82 36.72 2zjr h ILE 38 CO -0.69 0.00 -0.21 0.50 -1.08 0.00 0.00 178.15 176.67 2zjr h LYS 39 N -0.07 -0.15 0.00 2.19 3.64 0.23 -2.55 116.57 119.85 2zjr h LYS 39 Ca 0.11 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2zjr h LYS 39 Cb 0.24 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2zjr h LYS 39 CO -0.25 -0.10 0.00 -3.47 -2.27 0.00 0.00 179.45 173.36 2zjr n ASP 40 N -5.38 0.00 0.00 4.20 2.03 0.71 -2.75 116.55 115.37 2zjr n ASP 40 Ca 0.01 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2zjr n ASP 40 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 2zjr n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zjr n ALA 41 N -2.08 0.00 -0.34 -1.67 0.00 0.02 0.12 120.51 116.56 2zjr n ALA 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2zjr n ALA 41 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2zjr n ALA 41 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2zjr h ILE 42 N 0.00 0.01 -0.65 0.00 6.09 -1.50 -1.31 117.51 120.16 2zjr h ILE 42 Ca 0.00 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.55 2zjr h ILE 42 Cb 0.00 0.01 -0.08 0.00 0.47 0.00 0.00 36.82 37.22 2zjr h ILE 42 CO 0.00 0.00 -0.39 1.56 -3.07 0.00 0.00 178.15 176.25 2zjr h GLN 43 N -0.10 -0.01 0.00 2.19 4.20 0.11 0.10 115.11 121.61 2zjr h GLN 43 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2zjr h GLN 43 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2zjr h GLN 43 CO -0.86 -0.01 0.00 1.04 -0.67 0.00 0.00 178.83 178.34 2zjr n GLN 44 N -4.49 0.59 -0.01 1.46 1.13 -0.56 0.25 117.38 115.76 2zjr n GLN 44 Ca 0.01 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.10 2zjr n GLN 44 Cb 0.17 -1.05 -0.06 0.00 0.11 0.00 0.00 30.24 29.42 2zjr n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2zjr n ALA 45 N -0.55 2.21 -0.36 -1.58 0.00 0.29 -4.55 120.51 115.97 2zjr n ALA 45 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2zjr n ALA 45 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2zjr n ALA 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2zjr n PHE 46 N -1.84 0.00 -2.86 0.00 3.01 -0.76 -5.06 117.46 109.96 2zjr n PHE 46 Ca -0.03 -0.09 -0.01 0.00 1.01 0.00 0.00 57.45 58.32 2zjr n PHE 46 Cb 0.28 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 2zjr n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zjr n GLY 47 N -0.09 -2.91 0.00 1.37 0.00 0.69 -4.77 105.19 99.48 2zjr n GLY 47 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2zjr n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2zjr n VAL 48 N 1.37 0.00 -0.46 1.61 3.14 -0.81 -5.00 118.33 118.18 2zjr n VAL 48 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2zjr n VAL 48 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 2zjr n VAL 48 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2zjr n ARG 49 N -0.48 1.84 -3.58 1.45 1.85 -1.26 -3.97 116.66 112.51 2zjr n ARG 49 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2zjr n ARG 49 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 2zjr n ARG 49 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2zjr s VAL 50 N 0.56 -0.97 0.08 8.89 1.01 -1.26 -4.42 120.40 124.29 2zjr s VAL 50 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2zjr s VAL 50 Cb 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 36.38 35.14 2zjr s VAL 50 CO 0.00 0.00 1.13 0.40 0.00 0.00 0.00 175.10 176.63 2zjr h ILE 51 N 5.97 1.51 -3.75 2.22 2.04 0.17 -3.48 117.51 122.19 2zjr h ILE 51 Ca -0.18 -3.19 -0.09 0.00 1.00 0.00 0.00 64.86 62.40 2zjr h ILE 51 Cb 1.11 2.83 -0.14 0.00 -0.74 0.00 0.00 36.82 39.87 2zjr h ILE 51 CO 0.12 0.89 -0.35 -0.83 0.00 0.00 0.00 178.15 177.97 2zjr s GLY 52 N -4.76 0.06 0.09 5.37 0.00 -1.12 -5.04 107.32 101.92 2zjr s GLY 52 Ca -0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.09 2zjr s GLY 52 CO 0.84 -0.73 0.15 -1.50 0.00 0.00 0.00 173.10 171.85 2zjr s ILE 53 N -3.71 0.15 -0.29 0.90 1.10 -1.26 -1.88 121.20 116.21 2zjr s ILE 53 Ca 0.04 -1.36 -0.17 0.00 -0.51 0.00 0.00 60.65 58.65 2zjr s ILE 53 Cb 0.04 -1.45 0.13 0.00 0.15 0.00 0.00 42.46 41.33 2zjr s ILE 53 CO -0.10 -0.68 0.93 -0.94 -2.11 0.00 0.00 174.94 172.04 2zjr s SER 54 N -2.89 -0.57 0.01 4.50 1.04 -0.15 -4.99 113.70 110.65 2zjr s SER 54 Ca 0.07 0.93 -0.16 0.00 0.48 0.00 0.00 55.95 57.28 2zjr s SER 54 Cb 0.05 1.21 0.03 0.00 0.10 0.00 0.00 66.02 67.41 2zjr s SER 54 CO -0.09 -0.15 0.34 0.28 0.98 0.00 0.00 173.24 174.60 2zjr s THR 55 N 1.29 0.06 -0.06 2.02 -1.32 -1.26 0.21 115.64 116.57 2zjr s THR 55 Ca -0.08 -0.51 -0.28 0.00 -1.21 0.00 0.00 61.69 59.61 2zjr s THR 55 Cb -0.04 -0.76 0.06 0.00 -1.51 0.00 0.00 72.50 70.25 2zjr s THR 55 CO -0.15 -0.28 0.62 -0.04 -2.21 0.00 0.00 174.62 172.56 2zjr s MET 56 N -1.80 0.97 0.54 7.08 -1.94 -1.10 -5.04 119.30 118.00 2zjr s MET 56 Ca -0.10 0.25 -0.17 0.00 -1.71 0.00 0.00 55.69 53.95 2zjr s MET 56 Cb -0.03 0.46 -0.06 0.00 2.01 0.00 0.00 34.83 37.20 2zjr s MET 56 CO 0.02 -0.28 1.02 -0.80 -0.01 0.00 0.00 175.02 174.96 2zjr s ASN 57 N -1.07 6.24 -0.13 3.03 0.01 -1.26 -3.27 114.94 118.49 2zjr s ASN 57 Ca -0.10 1.75 -0.05 0.00 -0.71 0.00 0.00 52.86 53.74 2zjr s ASN 57 Cb -0.01 -2.53 0.06 0.00 0.41 0.00 0.00 41.25 39.18 2zjr s ASN 57 CO 0.08 -0.85 0.27 -0.69 -1.51 0.00 0.00 177.10 174.40 2zjr s VAL 58 N -2.40 -0.41 1.14 1.60 1.01 0.67 -4.95 120.40 117.06 2zjr s VAL 58 Ca 0.63 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 2zjr s VAL 58 Cb -0.14 -0.45 0.26 0.00 0.00 0.00 0.00 36.38 36.06 2zjr s VAL 58 CO 0.30 0.11 1.15 -2.16 0.00 0.00 0.00 175.10 174.50 2zjr s PRO 59 N 2.37 -0.71 0.06 2.72 0.04 -1.26 0.13 135.00 138.35 2zjr s PRO 59 Ca 0.01 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2zjr s PRO 59 Cb -0.12 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2zjr s PRO 59 CO -0.09 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 173.99 2zjr n GLY 60 N -1.52 -0.06 1.60 0.56 0.00 -1.26 -4.57 105.19 99.94 2zjr n GLY 60 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2zjr n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2zjr n LYS 61 N -2.79 -0.05 0.00 1.61 4.81 -1.15 -4.82 118.16 115.77 2zjr n LYS 61 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2zjr n LYS 61 Cb 0.07 -0.05 0.00 0.00 0.02 0.00 0.00 35.03 35.07 2zjr n LYS 61 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2zjr n ARG 62 N -0.21 3.90 0.00 1.64 1.85 -1.26 -4.71 116.66 117.88 2zjr n ARG 62 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2zjr n ARG 62 Cb 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.43 2zjr n ARG 62 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2zjr n LYS 63 N 0.00 -1.04 0.04 2.89 2.85 -1.26 -3.09 118.16 118.55 2zjr n LYS 63 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2zjr n LYS 63 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2zjr n LYS 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2zjr n ARG 64 N -1.73 0.03 -0.32 -1.58 1.74 -1.26 -5.12 116.66 108.42 2zjr n ARG 64 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2zjr n ARG 64 Cb 0.00 -0.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 2zjr n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2zjr n VAL 65 N -3.53 0.00 -0.05 1.55 0.31 -1.26 -5.14 118.33 110.21 2zjr n VAL 65 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2zjr n VAL 65 Cb 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 2zjr n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2zjr n GLY 66 N 0.00 -0.98 1.19 2.92 0.00 -1.26 -4.47 105.19 102.59 2zjr n GLY 66 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2zjr n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zjr n ARG 67 N 1.21 0.02 -1.33 1.61 1.74 -1.26 -3.33 116.66 115.31 2zjr n ARG 67 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 2zjr n ARG 67 Cb 0.00 -1.49 0.12 0.00 -1.02 0.00 0.00 32.46 30.06 2zjr n ARG 67 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2zjr n PHE 68 N 1.18 2.67 0.00 -1.55 3.72 -1.26 -5.01 117.46 117.21 2zjr n PHE 68 Ca 0.00 -2.34 0.00 0.00 -0.05 0.00 0.00 57.45 55.06 2zjr n PHE 68 Cb 0.01 -0.95 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 2zjr n PHE 68 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2zjr n ILE 69 N -0.98 0.00 -1.96 4.37 -6.64 -1.21 -4.80 119.36 108.14 2zjr n ILE 69 Ca 0.53 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.51 2zjr n ILE 69 Cb 1.02 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 39.22 2zjr n ILE 69 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2zjr n GLY 70 N 0.00 1.29 0.00 3.28 0.00 -1.18 -4.08 105.19 104.51 2zjr n GLY 70 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2zjr n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2zjr n GLN 71 N 0.00 0.00 -0.30 1.61 7.27 -1.26 -4.91 117.38 119.79 2zjr n GLN 71 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 2zjr n GLN 71 Cb 0.00 0.00 0.15 0.00 2.41 0.00 0.00 30.24 32.80 2zjr n GLN 71 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2zjr n ARG 72 N -0.22 -2.06 0.00 3.69 5.12 -1.26 -2.94 116.66 118.98 2zjr n ARG 72 Ca 0.00 -0.72 0.00 0.00 -1.93 0.00 0.00 57.85 55.20 2zjr n ARG 72 Cb 0.00 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 2zjr n ARG 72 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2zjr n ASN 73 N -2.60 0.00 -1.39 0.55 3.02 -1.26 -4.49 115.26 109.09 2zjr n ASN 73 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2zjr n ASN 73 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2zjr n ASN 73 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2zjr n ASP 74 N 0.00 0.00 -3.54 6.41 8.00 -1.25 -4.94 116.55 121.23 2zjr n ASP 74 Ca 0.00 0.79 -0.20 0.00 0.71 0.00 0.00 54.79 56.09 2zjr n ASP 74 Cb 0.00 -1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 39.87 2zjr n ASP 74 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2zjr n ARG 75 N 1.60 0.96 -3.03 -1.24 1.74 0.35 -4.88 116.66 112.16 2zjr n ARG 75 Ca 0.00 -2.47 -0.15 0.00 -0.77 0.00 0.00 57.85 54.46 2zjr n ARG 75 Cb 0.00 0.94 0.01 0.00 -1.02 0.00 0.00 32.46 32.38 2zjr n ARG 75 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2zjr n LYS 76 N -0.77 0.96 -1.24 5.56 4.81 -1.25 -0.24 118.16 125.99 2zjr n LYS 76 Ca -0.10 -2.86 -0.41 0.00 -0.87 0.00 0.00 58.31 54.06 2zjr n LYS 76 Cb 0.43 -1.46 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 2zjr n LYS 76 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2zjr n LYS 77 N 0.43 0.00 -4.09 1.64 4.81 -1.20 -3.20 118.16 116.55 2zjr n LYS 77 Ca 0.18 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.47 2zjr n LYS 77 Cb 0.66 -0.91 -0.14 0.00 0.02 0.00 0.00 35.03 34.66 2zjr n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2zjr s ALA 78 N -1.14 0.34 -0.09 3.14 0.00 0.10 -2.73 121.76 121.37 2zjr s ALA 78 Ca 0.57 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.34 2zjr s ALA 78 Cb -0.74 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2zjr s ALA 78 CO 0.53 0.08 -0.10 0.42 0.00 0.00 0.00 175.76 176.69 2zjr s ILE 79 N -0.14 1.10 0.44 0.00 1.01 0.13 -1.60 121.20 122.14 2zjr s ILE 79 Ca 0.01 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.34 2zjr s ILE 79 Cb -0.02 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2zjr s ILE 79 CO -0.00 0.37 0.15 0.68 0.00 0.00 0.00 174.94 176.14 2zjr s VAL 80 N 1.25 2.00 -0.24 2.92 -7.23 -0.78 -0.97 120.40 117.35 2zjr s VAL 80 Ca -0.03 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 2zjr s VAL 80 Cb -0.14 -2.77 0.13 0.00 0.56 0.00 0.00 36.38 34.16 2zjr s VAL 80 CO -0.03 0.00 0.42 -0.60 -0.31 0.00 0.00 175.10 174.57 2zjr s ARG 81 N -3.91 0.37 0.90 4.82 3.52 -0.79 -3.45 118.95 120.41 2zjr s ARG 81 Ca 0.34 0.70 -0.14 0.00 -0.13 0.00 0.00 55.73 56.50 2zjr s ARG 81 Cb 0.04 -0.18 0.16 0.00 -1.56 0.00 0.00 34.95 33.41 2zjr s ARG 81 CO 0.19 -0.56 1.25 -0.51 -0.81 0.00 0.00 175.30 174.86 2zjr s LEU 82 N 2.60 2.69 0.59 -0.88 1.43 -1.26 0.79 118.68 124.63 2zjr s LEU 82 Ca 0.11 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 2zjr s LEU 82 Cb -0.15 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 2zjr s LEU 82 CO -0.16 -2.43 1.04 0.00 0.23 0.00 0.00 176.35 175.03 2zjr s ALA 83 N -3.74 2.83 0.20 4.21 0.00 -1.26 -4.40 121.76 119.60 2zjr s ALA 83 Ca 0.70 0.28 0.18 0.00 0.00 0.00 0.00 51.96 53.11 2zjr s ALA 83 Cb -0.06 -3.19 0.62 0.00 0.00 0.00 0.00 23.12 20.49 2zjr s ALA 83 CO 0.51 -0.72 0.56 -1.91 0.00 0.00 0.00 175.76 174.20 2zjr n GLU 84 N -2.10 -0.00 -1.78 0.00 4.07 -1.26 -3.26 120.64 116.31 2zjr n GLU 84 Ca 0.08 0.39 -0.20 0.00 -0.06 0.00 0.00 57.16 57.37 2zjr n GLU 84 Cb 0.53 -0.89 -0.09 0.00 -0.06 0.00 0.00 31.44 30.93 2zjr n GLU 84 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2zjr s GLY 85 N -3.31 -0.62 1.30 8.31 0.00 -1.26 -4.85 107.32 106.88 2zjr s GLY 85 Ca -0.02 -1.69 -0.18 0.00 0.00 0.00 0.00 44.72 42.83 2zjr s GLY 85 CO 0.32 4.01 0.80 -1.06 0.00 0.00 0.00 173.10 177.17 2zjr n GLN 86 N 8.26 -3.49 -1.04 2.90 6.02 -1.20 -4.94 117.38 123.89 2zjr n GLN 86 Ca 0.43 -1.02 0.07 0.00 -0.01 0.00 0.00 57.00 56.47 2zjr n GLN 86 Cb 0.47 -1.96 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 2zjr n GLN 86 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2zjr n SER 87 N -4.76 -5.61 -3.74 1.08 3.41 -1.26 -5.01 113.62 97.73 2zjr n SER 87 Ca 0.07 1.13 -0.18 0.00 -0.26 0.00 0.00 58.87 59.63 2zjr n SER 87 Cb 0.56 -3.37 -0.17 0.00 -0.26 0.00 0.00 64.21 60.97 2zjr n SER 87 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2zjr s ILE 88 N -4.33 -0.00 0.00 -1.33 -5.25 -1.26 -5.04 121.20 103.98 2zjr s ILE 88 Ca 0.00 0.27 0.00 0.00 -0.99 0.00 0.00 60.65 59.93 2zjr s ILE 88 Cb 0.00 -0.18 0.00 0.00 2.95 0.00 0.00 42.46 45.23 2zjr s ILE 88 CO 0.00 0.15 0.00 -0.62 -1.79 0.00 0.00 174.94 172.68 2zjr n GLU 89 N 4.71 0.00 0.00 0.37 1.02 -1.26 -3.18 120.64 122.30 2zjr n GLU 89 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2zjr n GLU 89 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 2zjr n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2zjr n ALA 90 N 7.29 0.00 0.25 0.62 0.00 -1.26 -4.86 120.51 122.55 2zjr n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2zjr n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2zjr n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2zjr n LEU 91 N 0.00 0.68 0.00 0.00 7.99 -1.19 -1.69 117.00 122.78 2zjr n LEU 91 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 56.01 55.66 2zjr n LEU 91 Cb 0.00 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2zjr n LEU 91 CO 0.00 0.12 0.00 0.00 -1.51 0.00 0.00 177.39 176.00 2zjr n ALA 92 N 0.80 2.31 0.00 -1.18 0.00 -1.25 -4.62 120.51 116.58 2zjr n ALA 92 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2zjr n ALA 92 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2zjr n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zjr n GLY 93 N 3.18 -0.02 0.00 0.00 0.00 -0.68 -5.01 105.19 102.65 2zjr n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2zjr n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26