#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zjr n GLN 6 N 0.00 3.80 0.00 6.28 6.02 -1.26 -4.99 117.38 127.23 2zjr n GLN 6 Ca 0.00 -2.90 0.00 0.00 -0.01 0.00 0.00 57.00 54.09 2zjr n GLN 6 Cb 0.00 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.31 2zjr n GLN 6 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2zjr n THR 7 N 0.37 0.00 -2.60 5.09 -1.04 -1.26 -5.08 114.28 109.77 2zjr n THR 7 Ca 0.24 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.20 2zjr n THR 7 Cb 0.96 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.43 2zjr n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zjr n GLY 8 N -0.43 -4.87 0.00 3.41 0.00 -1.26 -5.00 105.19 97.03 2zjr n GLY 8 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 46.02 47.44 2zjr n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zjr n GLY 9 N 1.83 0.00 0.00 -0.02 0.00 -1.26 -4.89 105.19 100.84 2zjr n GLY 9 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2zjr n GLY 9 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2zjr n LYS 10 N 0.00 0.00 -0.46 1.61 2.85 -1.26 -4.83 118.16 116.07 2zjr n LYS 10 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 2zjr n LYS 10 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2zjr n LYS 10 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2zjr n GLN 11 N 0.00 -0.93 0.00 -1.58 1.13 -1.16 -4.89 117.38 109.96 2zjr n GLN 11 Ca 0.00 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2zjr n GLN 11 Cb 0.00 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.22 2zjr n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2zjr n TYR 12 N -2.57 0.00 0.00 1.08 9.36 -1.18 -4.69 117.16 119.16 2zjr n TYR 12 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2zjr n TYR 12 Cb 0.21 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 2zjr n TYR 12 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2zjr n ARG 13 N 0.00 0.00 0.00 2.98 0.63 -1.26 -4.94 116.66 114.07 2zjr n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2zjr n ARG 13 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2zjr n ARG 13 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2zjr n VAL 14 N 4.51 0.00 -0.49 5.15 0.31 -1.26 -5.05 118.33 121.50 2zjr n VAL 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2zjr n VAL 14 Cb 0.00 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2zjr n VAL 14 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2zjr n SER 15 N 0.00 -0.66 -4.34 4.52 7.64 -1.26 -4.89 113.62 114.63 2zjr n SER 15 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2zjr n SER 15 Cb 0.27 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 2zjr n SER 15 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2zjr s GLU 16 N -0.06 1.33 -0.55 1.43 2.02 -1.26 -4.76 118.70 116.84 2zjr s GLU 16 Ca 0.00 -1.63 -0.22 0.00 0.02 0.00 0.00 54.97 53.15 2zjr s GLU 16 Cb 0.00 -0.91 0.06 0.00 0.10 0.00 0.00 34.13 33.38 2zjr s GLU 16 CO 0.00 0.06 0.81 0.20 0.02 0.00 0.00 175.26 176.36 2zjr s GLY 17 N -3.31 1.56 0.20 -1.39 0.00 -1.26 -1.81 107.32 101.30 2zjr s GLY 17 Ca 0.24 -1.58 0.10 0.00 0.00 0.00 0.00 44.72 43.48 2zjr s GLY 17 CO 0.07 1.81 -0.13 0.51 0.00 0.00 0.00 173.10 175.36 2zjr s ASP 18 N 2.96 4.02 -0.16 1.64 1.47 -1.17 -4.90 116.67 120.53 2zjr s ASP 18 Ca 0.22 -0.69 -0.08 0.00 1.18 0.00 0.00 52.55 53.17 2zjr s ASP 18 Cb -0.16 -0.58 -0.05 0.00 -0.34 0.00 0.00 42.92 41.79 2zjr s ASP 18 CO 0.14 0.09 0.13 -0.69 0.68 0.00 0.00 175.17 175.53 2zjr s VAL 19 N -1.83 5.42 0.34 2.11 1.01 -1.26 -1.36 120.40 124.83 2zjr s VAL 19 Ca 0.25 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.49 2zjr s VAL 19 Cb -0.08 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2zjr s VAL 19 CO 0.14 0.52 0.28 0.27 0.00 0.00 0.00 175.10 176.31 2zjr s ILE 20 N -0.27 0.04 1.01 2.22 -5.25 -0.79 -4.97 121.20 113.18 2zjr s ILE 20 Ca 0.11 -2.00 -0.12 0.00 -0.99 0.00 0.00 60.65 57.65 2zjr s ILE 20 Cb -0.11 -2.48 0.15 0.00 2.95 0.00 0.00 42.46 42.96 2zjr s ILE 20 CO 0.01 0.00 0.83 0.54 -1.79 0.00 0.00 174.94 174.53 2zjr n ARG 21 N -0.66 -1.01 -1.71 0.37 5.12 -1.26 -1.18 116.66 116.32 2zjr n ARG 21 Ca 0.07 -0.25 -0.42 0.00 -1.93 0.00 0.00 57.85 55.33 2zjr n ARG 21 Cb 0.62 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 2zjr n ARG 21 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2zjr n VAL 22 N -4.30 2.22 0.92 1.55 0.24 -1.26 -4.00 118.33 113.70 2zjr n VAL 22 Ca 0.08 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.98 2zjr n VAL 22 Cb 0.54 -1.64 0.05 0.00 -1.47 0.00 0.00 33.84 31.31 2zjr n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2zjr n GLU 23 N 0.33 1.73 0.00 7.34 -0.58 -1.26 -4.95 120.64 123.25 2zjr n GLU 23 Ca 0.05 -1.41 0.00 0.00 -0.42 0.00 0.00 57.16 55.38 2zjr n GLU 23 Cb 0.38 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2zjr n GLU 23 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2zjr n SER 24 N 0.64 0.00 -4.56 1.62 2.88 -1.26 -4.86 113.62 108.09 2zjr n SER 24 Ca 0.11 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.25 2zjr n SER 24 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2zjr n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2zjr s LEU 25 N 0.00 3.29 0.00 2.46 1.43 -1.26 -4.93 118.68 119.67 2zjr s LEU 25 Ca 0.00 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2zjr s LEU 25 Cb 0.00 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.58 2zjr s LEU 25 CO 0.00 -2.20 0.00 1.67 0.23 0.00 0.00 176.35 176.05 2zjr n GLN 26 N 9.13 2.66 0.00 1.70 7.27 -1.26 -4.87 117.38 132.00 2zjr n GLN 26 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 2zjr n GLN 26 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 2zjr n GLN 26 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2zjr n GLY 27 N 2.17 1.53 0.00 1.69 0.00 -1.26 -4.66 105.19 104.66 2zjr n GLY 27 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2zjr n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zjr n GLU 28 N 4.35 0.00 0.00 1.61 4.71 -1.26 -4.79 120.64 125.25 2zjr n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2zjr n GLU 28 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2zjr n GLU 28 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2zjr n ALA 29 N -3.00 0.00 -1.10 0.62 0.00 -1.06 -4.71 120.51 111.25 2zjr n ALA 29 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2zjr n ALA 29 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2zjr n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zjr n GLY 30 N -0.61 -0.23 3.57 0.00 0.00 -1.26 -4.59 105.19 102.07 2zjr n GLY 30 Ca 0.00 -0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 2zjr n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2zjr n ASP 31 N 4.40 2.70 -4.73 1.61 8.00 -1.26 -3.04 116.55 124.23 2zjr n ASP 31 Ca 0.31 0.64 -0.33 0.00 0.71 0.00 0.00 54.79 56.12 2zjr n ASP 31 Cb 0.27 -1.31 -0.08 0.00 -0.02 0.00 0.00 41.12 39.98 2zjr n ASP 31 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2zjr s LYS 32 N 5.26 2.95 -0.11 -1.24 -0.14 0.60 -4.93 119.74 122.13 2zjr s LYS 32 Ca 1.02 -0.50 0.02 0.00 -1.36 0.00 0.00 55.97 55.15 2zjr s LYS 32 Cb -0.77 -2.78 0.01 0.00 -1.68 0.00 0.00 37.83 32.61 2zjr s LYS 32 CO 0.50 0.66 -0.16 0.14 -0.76 0.00 0.00 175.35 175.73 2zjr s VAL 33 N -1.08 1.53 -0.07 3.17 -7.23 -1.26 0.11 120.40 115.58 2zjr s VAL 33 Ca 0.19 -0.67 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 2zjr s VAL 33 Cb -0.12 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 2zjr s VAL 33 CO 0.10 0.45 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.57 2zjr s GLU 34 N 0.94 2.72 0.00 4.82 0.41 0.59 -4.97 118.70 123.21 2zjr s GLU 34 Ca -0.07 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 2zjr s GLU 34 Cb -0.15 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 2zjr s GLU 34 CO -0.01 0.50 0.18 -0.11 -0.49 0.00 0.00 175.26 175.33 2zjr n LEU 35 N 2.67 0.00 0.00 1.80 0.00 -1.26 -1.60 117.00 118.61 2zjr n LEU 35 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2zjr n LEU 35 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2zjr n LEU 35 CO 0.27 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.95 2zjr n LYS 36 N -0.31 0.00 0.00 1.96 5.02 -1.26 -3.70 118.16 119.87 2zjr n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2zjr n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2zjr n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2zjr n ALA 37 N -1.93 1.61 -3.26 7.82 0.00 -1.26 -4.68 120.51 118.81 2zjr n ALA 37 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2zjr n ALA 37 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2zjr n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2zjr s LEU 38 N -2.70 0.16 0.00 0.00 1.98 -1.25 -2.08 118.68 114.78 2zjr s LEU 38 Ca 0.00 -0.53 0.00 0.00 -2.89 0.00 0.00 54.13 50.71 2zjr s LEU 38 Cb 0.00 2.06 0.00 0.00 0.66 0.00 0.00 46.19 48.91 2zjr s LEU 38 CO 0.00 -1.05 0.00 2.22 -1.89 0.00 0.00 176.35 175.63 2zjr n PHE 39 N -0.33 0.00 -3.34 5.38 1.16 -1.03 -2.96 117.46 116.33 2zjr n PHE 39 Ca -0.09 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.23 2zjr n PHE 39 Cb 0.62 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.40 2zjr n PHE 39 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 2zjr n VAL 40 N -0.77 -0.90 -2.51 1.97 0.24 -1.23 -0.18 118.33 114.95 2zjr n VAL 40 Ca 0.00 -3.69 -0.41 0.00 -2.04 0.00 0.00 64.34 58.20 2zjr n VAL 40 Cb 0.00 -1.78 -0.01 0.00 -1.47 0.00 0.00 33.84 30.58 2zjr n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2zjr s GLY 41 N -0.44 1.40 0.00 7.63 0.00 -1.25 -2.37 107.32 112.29 2zjr s GLY 41 Ca 0.34 -2.71 0.00 0.00 0.00 0.00 0.00 44.72 42.34 2zjr s GLY 41 CO -0.17 2.82 0.00 0.61 0.00 0.00 0.00 173.10 176.37 2zjr n GLY 42 N 5.71 0.95 3.78 0.20 0.00 -1.26 -4.29 105.19 110.28 2zjr n GLY 42 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2zjr n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zjr n GLU 43 N 0.00 -0.40 -2.23 1.61 1.02 -1.00 -4.85 120.64 114.79 2zjr n GLU 43 Ca 0.00 0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.88 2zjr n GLU 43 Cb 0.00 -4.57 -0.04 0.00 -0.02 0.00 0.00 31.44 26.81 2zjr n GLU 43 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2zjr s GLN 44 N -1.18 2.88 -0.09 3.49 -0.21 -1.26 -4.92 119.66 118.38 2zjr s GLN 44 Ca 0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 55.36 54.98 2zjr s GLN 44 Cb 0.00 -4.70 -0.06 0.00 1.00 0.00 0.00 33.01 29.25 2zjr s GLN 44 CO 0.00 -2.71 1.92 0.95 -2.12 0.00 0.00 175.29 173.34 2zjr s THR 45 N 8.00 3.21 -0.14 -0.19 -4.23 -1.26 -3.53 115.64 117.50 2zjr s THR 45 Ca 0.58 0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 61.33 2zjr s THR 45 Cb -0.08 -3.20 0.03 0.00 1.34 0.00 0.00 72.50 70.59 2zjr s THR 45 CO 0.08 -0.07 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.32 2zjr s VAL 46 N 5.50 1.24 0.82 2.29 1.01 0.75 -4.99 120.40 127.03 2zjr s VAL 46 Ca 0.86 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 2zjr s VAL 46 Cb -0.36 -1.26 0.18 0.00 0.00 0.00 0.00 36.38 34.94 2zjr s VAL 46 CO 0.36 0.33 1.12 0.49 0.00 0.00 0.00 175.10 177.40 2zjr n PHE 47 N 4.86 -3.72 -0.84 5.22 3.01 -1.26 -2.46 117.46 122.27 2zjr n PHE 47 Ca -0.14 -1.21 -0.34 0.00 1.01 0.00 0.00 57.45 56.78 2zjr n PHE 47 Cb 0.49 -0.85 0.11 0.00 -0.01 0.00 0.00 39.48 39.22 2zjr n PHE 47 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zjr n GLY 48 N -2.59 -2.73 4.65 1.37 0.00 -0.88 -1.54 105.19 103.47 2zjr n GLY 48 Ca 0.15 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2zjr n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zjr n GLU 49 N -0.61 0.00 0.00 1.61 1.02 -1.26 -3.56 120.64 117.84 2zjr n GLU 49 Ca 0.04 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 2zjr n GLU 49 Cb 0.56 -0.12 0.65 0.00 -0.02 0.00 0.00 31.44 32.51 2zjr n GLU 49 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2zjr n ASP 50 N 0.00 0.00 -0.05 1.62 2.03 -1.21 -2.45 116.55 116.48 2zjr n ASP 50 Ca 0.00 -0.28 -0.05 0.00 0.52 0.00 0.00 54.79 54.99 2zjr n ASP 50 Cb 0.00 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 2zjr n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zjr n ALA 51 N -1.20 1.78 -0.46 -1.67 0.00 -0.59 -4.33 120.51 114.05 2zjr n ALA 51 Ca 0.14 -0.73 0.41 0.00 0.00 0.00 0.00 53.44 53.26 2zjr n ALA 51 Cb 0.16 -0.04 0.77 0.00 0.00 0.00 0.00 19.45 20.33 2zjr n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2zjr h GLY 52 N 2.31 0.10 0.00 0.00 0.00 -1.73 0.72 103.07 104.47 2zjr h GLY 52 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2zjr h GLY 52 CO 0.02 -0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.81 2zjr n LYS 53 N -4.13 0.00 -0.98 4.80 5.02 -1.25 -4.47 118.16 117.14 2zjr n LYS 53 Ca 0.32 0.80 -0.30 0.00 -2.02 0.00 0.00 58.31 57.12 2zjr n LYS 53 Cb 1.50 -1.38 0.16 0.00 -0.02 0.00 0.00 35.03 35.29 2zjr n LYS 53 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2zjr s TYR 54 N -2.54 2.01 0.35 2.13 1.51 0.25 -5.06 117.35 116.00 2zjr s TYR 54 Ca 0.00 1.35 -0.08 0.00 -1.01 0.00 0.00 57.07 57.33 2zjr s TYR 54 Cb 0.00 -3.18 0.02 0.00 -0.11 0.00 0.00 41.96 38.69 2zjr s TYR 54 CO 0.00 -2.74 0.60 0.95 -1.11 0.00 0.00 175.55 173.24 2zjr s THR 55 N -2.79 0.00 0.01 -0.71 -4.23 -1.26 -4.66 115.64 102.01 2zjr s THR 55 Ca 0.65 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2zjr s THR 55 Cb -0.20 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 2zjr s THR 55 CO 0.59 0.00 -0.17 0.68 -0.54 0.00 0.00 174.62 175.17 2zjr s VAL 56 N -2.83 1.38 -0.23 2.29 -7.23 -0.63 -0.55 120.40 112.60 2zjr s VAL 56 Ca 0.24 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2zjr s VAL 56 Cb -0.02 -1.17 0.05 0.00 0.56 0.00 0.00 36.38 35.79 2zjr s VAL 56 CO 0.16 0.27 -0.11 -1.10 -0.31 0.00 0.00 175.10 174.02 2zjr s GLN 57 N -0.72 2.12 0.09 4.82 -0.21 -1.25 -0.30 119.66 124.21 2zjr s GLN 57 Ca 0.06 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.43 2zjr s GLN 57 Cb -0.07 -2.66 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 2zjr s GLN 57 CO 0.00 -0.50 -0.19 0.00 -2.12 0.00 0.00 175.29 172.49 2zjr s ALA 58 N 1.27 1.58 -0.14 6.09 0.00 0.29 0.14 121.76 130.99 2zjr s ALA 58 Ca -0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 2zjr s ALA 58 Cb -0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2zjr s ALA 58 CO -0.07 0.30 0.00 -1.21 0.00 0.00 0.00 175.76 174.78 2zjr s GLU 59 N -1.80 3.54 -0.12 0.00 2.02 0.20 0.22 118.70 122.76 2zjr s GLU 59 Ca 0.04 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 2zjr s GLU 59 Cb -0.10 -2.96 -0.07 0.00 0.10 0.00 0.00 34.13 31.10 2zjr s GLU 59 CO 0.03 0.40 2.11 0.28 0.02 0.00 0.00 175.26 178.10 2zjr n VAL 60 N 3.08 0.52 -0.06 2.63 0.31 -1.17 -0.24 118.33 123.40 2zjr n VAL 60 Ca -0.18 -0.30 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 2zjr n VAL 60 Cb 0.53 -2.38 -0.04 0.00 -0.91 0.00 0.00 33.84 31.04 2zjr n VAL 60 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2zjr h VAL 61 N 6.45 0.46 -3.11 2.52 2.07 0.15 -2.82 116.25 121.97 2zjr h VAL 61 Ca -0.44 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 65.72 2zjr h VAL 61 Cb 1.25 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 2zjr h VAL 61 CO 0.95 0.16 0.16 -0.70 0.02 0.00 0.00 177.57 178.16 2zjr s GLU 62 N -1.87 1.63 -0.11 1.57 2.12 -1.18 -4.85 118.70 116.01 2zjr s GLU 62 Ca -0.09 -0.92 0.01 0.00 0.36 0.00 0.00 54.97 54.33 2zjr s GLU 62 Cb 0.00 0.58 -0.02 0.00 0.26 0.00 0.00 34.13 34.95 2zjr s GLU 62 CO 0.23 -0.73 -0.13 -1.01 -0.54 0.00 0.00 175.26 173.08 2zjr s HIS 63 N -3.90 2.79 0.19 5.30 3.76 -1.26 0.15 115.29 122.33 2zjr s HIS 63 Ca 0.11 -0.50 0.06 0.00 -0.15 0.00 0.00 55.06 54.58 2zjr s HIS 63 Cb -0.04 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 2zjr s HIS 63 CO 0.03 -0.09 -0.11 0.20 -0.85 0.00 0.00 174.74 173.92 2zjr s GLY 64 N 0.04 1.35 -0.32 -2.22 0.00 -1.24 -4.97 107.32 99.96 2zjr s GLY 64 Ca -0.05 -1.63 -0.05 0.00 0.00 0.00 0.00 44.72 42.99 2zjr s GLY 64 CO 0.04 -1.70 0.07 -1.60 0.00 0.00 0.00 173.10 169.91 2zjr s ARG 65 N -3.71 2.57 0.73 2.90 3.52 -1.26 -0.30 118.95 123.40 2zjr s ARG 65 Ca 0.22 -1.20 -0.08 0.00 -0.13 0.00 0.00 55.73 54.54 2zjr s ARG 65 Cb 0.01 -3.37 0.12 0.00 -1.56 0.00 0.00 34.95 30.16 2zjr s ARG 65 CO 0.05 -0.65 0.27 0.41 -0.81 0.00 0.00 175.30 174.58 2zjr n GLY 66 N 4.75 -1.46 3.65 8.12 0.00 -0.07 -4.88 105.19 115.30 2zjr n GLY 66 Ca -0.13 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2zjr n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2zjr s LYS 67 N -2.82 4.18 -0.16 1.61 2.47 -1.26 -4.77 119.74 118.99 2zjr s LYS 67 Ca 0.21 1.19 -0.39 0.00 -1.56 0.00 0.00 55.97 55.42 2zjr s LYS 67 Cb -0.04 -3.67 -0.16 0.00 -1.46 0.00 0.00 37.83 32.50 2zjr s LYS 67 CO 0.18 -0.69 1.61 1.17 0.16 0.00 0.00 175.35 177.77 2zjr n LYS 68 N 6.42 1.14 -5.22 4.03 3.00 -1.26 -4.73 118.16 121.54 2zjr n LYS 68 Ca 0.11 0.42 -0.30 0.00 -0.00 0.00 0.00 58.31 58.53 2zjr n LYS 68 Cb 0.47 -2.09 -0.16 0.00 0.00 0.00 0.00 35.03 33.25 2zjr n LYS 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2zjr s ILE 69 N 2.52 1.95 -0.17 3.15 1.01 0.20 -4.97 121.20 124.88 2zjr s ILE 69 Ca 0.94 -1.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 2zjr s ILE 69 Cb -1.03 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 2zjr s ILE 69 CO 0.59 0.54 0.08 -0.31 0.00 0.00 0.00 174.94 175.85 2zjr s TYR 70 N -0.59 3.32 -0.44 3.97 1.51 -1.26 -1.10 117.35 122.76 2zjr s TYR 70 Ca 0.10 0.19 -0.17 0.00 -1.01 0.00 0.00 57.07 56.17 2zjr s TYR 70 Cb -0.09 -2.07 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2zjr s TYR 70 CO -0.01 0.27 0.45 0.42 -1.11 0.00 0.00 175.55 175.57 2zjr s ILE 71 N 0.15 5.08 -0.07 2.71 1.01 0.18 -4.94 121.20 125.31 2zjr s ILE 71 Ca 0.06 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.30 2zjr s ILE 71 Cb -0.12 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 2zjr s ILE 71 CO 0.00 -0.49 -0.20 -0.13 0.00 0.00 0.00 174.94 174.13 2zjr s ARG 72 N 2.14 2.72 0.18 2.79 0.52 -1.25 -1.62 118.95 124.42 2zjr s ARG 72 Ca 0.11 -0.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.62 2zjr s ARG 72 Cb -0.18 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 2zjr s ARG 72 CO 0.13 0.41 -0.19 0.15 0.02 0.00 0.00 175.30 175.82 2zjr s LYS 73 N -0.21 1.36 -0.28 3.54 1.02 -0.46 -4.98 119.74 119.73 2zjr s LYS 73 Ca -0.01 -1.47 -0.24 0.00 0.02 0.00 0.00 55.97 54.26 2zjr s LYS 73 Cb -0.13 -1.45 0.09 0.00 -0.52 0.00 0.00 37.83 35.82 2zjr s LYS 73 CO 0.03 0.29 0.83 -0.47 -0.92 0.00 0.00 175.35 175.11 2zjr s TYR 74 N -2.09 -0.69 -0.01 3.18 5.04 -1.26 -1.78 117.35 119.74 2zjr s TYR 74 Ca 0.18 1.66 0.01 0.00 -2.44 0.00 0.00 57.07 56.49 2zjr s TYR 74 Cb -0.06 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.58 2zjr s TYR 74 CO 0.08 -0.34 -0.04 0.15 -1.34 0.00 0.00 175.55 174.06 2zjr s LYS 75 N 0.43 0.41 0.30 4.97 1.02 -1.05 -5.05 119.74 120.77 2zjr s LYS 75 Ca 0.00 -0.15 -0.07 0.00 0.02 0.00 0.00 55.97 55.78 2zjr s LYS 75 Cb -0.05 -0.41 -0.06 0.00 -0.52 0.00 0.00 37.83 36.79 2zjr s LYS 75 CO -0.03 0.07 0.60 -1.54 -0.92 0.00 0.00 175.35 173.53 2zjr s SER 76 N 0.04 6.49 0.00 2.83 1.04 -1.26 -4.22 113.70 118.61 2zjr s SER 76 Ca 0.00 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2zjr s SER 76 Cb -0.04 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.89 2zjr s SER 76 CO -0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2zjr n GLY 77 N -0.89 1.53 1.05 7.32 0.00 -1.26 -4.60 105.19 108.33 2zjr n GLY 77 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2zjr n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2zjr n VAL 78 N 0.00 1.05 0.00 1.61 3.14 -1.26 -5.01 118.33 117.86 2zjr n VAL 78 Ca 0.00 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 2zjr n VAL 78 Cb 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 2zjr n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2zjr n GLN 79 N 0.64 0.00 -2.79 1.45 1.13 -1.26 -4.97 117.38 111.58 2zjr n GLN 79 Ca 0.16 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.19 2zjr n GLN 79 Cb 0.57 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.89 2zjr n GLN 79 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2zjr n TYR 80 N 12.29 -2.99 -3.83 1.08 4.19 -1.26 -4.29 117.16 122.35 2zjr n TYR 80 Ca 0.00 1.65 -0.17 0.00 3.31 0.00 0.00 57.90 62.68 2zjr n TYR 80 Cb 0.00 -3.01 -0.17 0.00 0.49 0.00 0.00 39.34 36.66 2zjr n TYR 80 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 2zjr s ARG 81 N -0.70 0.16 -0.14 2.98 0.52 -1.26 -2.53 118.95 117.99 2zjr s ARG 81 Ca -0.15 0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 55.22 2zjr s ARG 81 Cb 0.01 -0.46 0.03 0.00 0.52 0.00 0.00 34.95 35.05 2zjr s ARG 81 CO 0.54 -0.19 -0.09 1.03 0.02 0.00 0.00 175.30 176.61 2zjr s ARG 82 N 1.30 1.76 -0.12 3.54 1.81 -0.73 -4.98 118.95 121.53 2zjr s ARG 82 Ca -0.06 -0.43 0.01 0.00 -1.72 0.00 0.00 55.73 53.53 2zjr s ARG 82 Cb -0.13 -1.88 -0.01 0.00 -0.45 0.00 0.00 34.95 32.49 2zjr s ARG 82 CO -0.03 -0.30 -0.17 0.50 -0.68 0.00 0.00 175.30 174.62 2zjr s ARG 83 N 1.61 3.25 -0.25 3.54 6.06 -1.26 -1.36 118.95 130.54 2zjr s ARG 83 Ca 0.04 -0.76 -0.15 0.00 -2.50 0.00 0.00 55.73 52.36 2zjr s ARG 83 Cb -0.13 -2.51 0.07 0.00 0.06 0.00 0.00 34.95 32.45 2zjr s ARG 83 CO -0.09 0.20 0.63 0.95 -2.50 0.00 0.00 175.30 174.49 2zjr s THR 84 N 0.36 -0.01 0.70 4.11 -4.23 -0.64 -5.01 115.64 110.93 2zjr s THR 84 Ca -0.14 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 2zjr s THR 84 Cb -0.17 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.77 2zjr s THR 84 CO 0.07 0.01 1.06 -0.83 -0.54 0.00 0.00 174.62 174.39 2zjr s GLY 85 N 1.52 1.66 -0.01 3.99 0.00 -1.26 0.48 107.32 113.70 2zjr s GLY 85 Ca -0.09 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.35 2zjr s GLY 85 CO -0.17 0.34 0.89 -1.58 0.00 0.00 0.00 173.10 172.58 2zjr s HIS 86 N -3.08 -0.34 0.00 1.90 5.04 -0.26 -4.77 115.29 113.77 2zjr s HIS 86 Ca 0.58 0.22 0.00 0.00 -1.54 0.00 0.00 55.06 54.32 2zjr s HIS 86 Cb -0.14 0.54 0.00 0.00 0.04 0.00 0.00 32.58 33.02 2zjr s HIS 86 CO 0.55 -0.54 0.00 2.89 -2.34 0.00 0.00 174.74 175.30 2zjr n ARG 87 N -0.22 0.00 -2.85 2.88 1.85 -1.26 0.60 116.66 117.65 2zjr n ARG 87 Ca -0.09 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.36 2zjr n ARG 87 Cb 0.62 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.99 2zjr n ARG 87 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2zjr s GLN 88 N 0.00 4.55 0.54 2.89 0.74 -1.26 -4.55 119.66 122.57 2zjr s GLN 88 Ca 0.00 1.23 -0.13 0.00 0.05 0.00 0.00 55.36 56.50 2zjr s GLN 88 Cb 0.00 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 2zjr s GLN 88 CO 0.00 0.10 0.97 -0.80 -0.55 0.00 0.00 175.29 175.02 2zjr s ASN 89 N 0.51 6.44 0.00 6.67 0.01 -1.26 -0.89 114.94 126.43 2zjr s ASN 89 Ca 0.45 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.03 2zjr s ASN 89 Cb -0.21 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 38.99 2zjr s ASN 89 CO 0.25 -0.68 0.00 2.22 -1.51 0.00 0.00 177.10 177.38 2zjr n PHE 90 N -2.05 0.00 -3.63 2.20 1.16 0.59 -4.14 117.46 111.59 2zjr n PHE 90 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.59 2zjr n PHE 90 Cb 0.54 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.35 2zjr n PHE 90 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2zjr s THR 91 N 0.78 -0.09 0.05 1.97 2.01 -0.33 -3.69 115.64 116.35 2zjr s THR 91 Ca 0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2zjr s THR 91 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2zjr s THR 91 CO 0.00 0.00 0.61 0.00 -0.69 0.00 0.00 174.62 174.54 2zjr s ALA 92 N 1.64 3.52 -0.11 7.40 0.00 0.41 -1.89 121.76 132.72 2zjr s ALA 92 Ca -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 2zjr s ALA 92 Cb -0.05 -2.73 0.05 0.00 0.00 0.00 0.00 23.12 20.39 2zjr s ALA 92 CO -0.18 0.28 0.07 0.96 0.00 0.00 0.00 175.76 176.89 2zjr s ILE 93 N -0.69 -0.08 -0.32 0.00 -5.25 -0.46 0.17 121.20 114.57 2zjr s ILE 93 Ca 0.31 0.10 -0.29 0.00 -0.99 0.00 0.00 60.65 59.78 2zjr s ILE 93 Cb -0.19 -0.39 0.00 0.00 2.95 0.00 0.00 42.46 44.83 2zjr s ILE 93 CO 0.19 -0.07 1.34 -0.75 -1.79 0.00 0.00 174.94 173.86 2zjr s LYS 94 N 2.15 3.84 0.75 0.37 2.20 0.67 -3.05 119.74 126.67 2zjr s LYS 94 Ca 0.03 1.20 -0.13 0.00 -0.36 0.00 0.00 55.97 56.71 2zjr s LYS 94 Cb -0.14 -3.92 0.05 0.00 -1.51 0.00 0.00 37.83 32.31 2zjr s LYS 94 CO -0.06 -1.22 1.15 0.42 -0.36 0.00 0.00 175.35 175.28 2zjr s ILE 95 N 4.62 2.73 0.00 5.43 -1.09 -0.75 -0.63 121.20 131.51 2zjr s ILE 95 Ca 0.58 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 2zjr s ILE 95 Cb -0.16 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 2zjr s ILE 95 CO 0.25 -0.25 0.00 -0.11 -1.23 0.00 0.00 174.94 173.61 2zjr n LEU 96 N -3.06 0.00 -4.04 2.97 7.94 -0.33 -4.29 117.00 116.18 2zjr n LEU 96 Ca 0.11 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.64 2zjr n LEU 96 Cb 0.52 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.51 2zjr n LEU 96 CO 0.49 0.00 -1.82 0.61 -1.11 0.00 0.00 177.39 175.56 2zjr n GLY 97 N 0.00 -3.21 0.00 -3.96 0.00 0.37 -4.66 105.19 93.73 2zjr n GLY 97 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2zjr n GLY 97 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71