#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jzr s SER 17 N 0.00 6.80 0.00 1.61 0.15 -1.26 -4.89 113.70 116.11 3jzr s SER 17 Ca 0.00 2.65 0.26 0.00 0.70 0.00 0.00 55.95 59.57 3jzr s SER 17 Cb 0.00 -2.65 0.74 0.00 -1.71 0.00 0.00 66.02 62.40 3jzr s SER 17 CO 0.00 -0.51 1.56 0.00 1.20 0.00 0.00 173.24 175.48 3jzr n GLN 18 N 0.92 1.22 -4.20 5.44 6.02 -1.26 -4.84 117.38 120.67 3jzr n GLN 18 Ca 0.00 -0.77 -0.34 0.00 -0.01 0.00 0.00 57.00 55.88 3jzr n GLN 18 Cb 0.42 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.09 3jzr n GLN 18 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3jzr s ILE 19 N -2.31 4.38 0.55 5.09 -1.09 -1.26 -4.88 121.20 121.67 3jzr s ILE 19 Ca 0.28 -0.19 -0.22 0.00 -2.23 0.00 0.00 60.65 58.30 3jzr s ILE 19 Cb 0.20 -2.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 3jzr s ILE 19 CO 0.45 0.49 1.35 -2.16 -1.23 0.00 0.00 174.94 173.84 3jzr s PRO 20 N 0.24 3.13 0.20 2.79 0.04 -1.26 -4.86 135.00 135.28 3jzr s PRO 20 Ca 0.01 2.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 3jzr s PRO 20 Cb -0.13 -2.24 0.20 0.00 0.04 0.00 0.00 34.50 32.37 3jzr s PRO 20 CO 0.01 -1.19 1.80 0.00 0.04 0.00 0.00 177.00 177.67 3jzr h ALA 21 N 1.43 0.80 -0.98 8.56 0.00 -1.98 -2.08 119.26 125.02 3jzr h ALA 21 Ca -0.51 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.50 3jzr h ALA 21 Cb 1.30 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3jzr h ALA 21 CO 0.57 0.01 0.62 0.66 0.00 0.00 0.00 179.25 181.11 3jzr h SER 22 N 0.63 0.96 0.04 0.00 4.64 -1.99 -0.47 113.55 117.36 3jzr h SER 22 Ca 0.27 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 3jzr h SER 22 Cb 0.16 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3jzr h SER 22 CO -0.17 0.58 -0.30 -0.08 -0.87 0.00 0.00 176.83 175.99 3jzr h GLU 23 N 1.08 0.39 0.00 4.77 4.81 -1.76 -2.17 114.58 121.69 3jzr h GLU 23 Ca 0.45 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3jzr h GLU 23 Cb 0.28 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3jzr h GLU 23 CO -0.21 0.65 -0.02 1.96 -0.73 0.00 0.00 179.01 180.66 3jzr h GLN 24 N 0.34 0.00 -0.60 1.92 4.20 -0.45 -1.02 115.11 119.49 3jzr h GLN 24 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3jzr h GLN 24 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3jzr h GLN 24 CO 0.05 0.02 0.00 0.39 -0.67 0.00 0.00 178.83 178.62 3jzr n GLU 25 N -3.32 2.82 -2.04 1.46 -0.58 -0.82 -1.76 120.64 116.40 3jzr n GLU 25 Ca -0.02 -2.16 -0.42 0.00 -0.42 0.00 0.00 57.16 54.15 3jzr n GLU 25 Cb 0.14 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.35 3jzr n GLU 25 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3jzr s THR 26 N -1.57 2.78 -0.09 2.62 2.01 -0.39 -4.74 115.64 116.25 3jzr s THR 26 Ca 0.39 0.62 -0.24 0.00 0.31 0.00 0.00 61.69 62.78 3jzr s THR 26 Cb 0.23 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 3jzr s THR 26 CO 0.22 0.08 0.73 -0.22 -0.69 0.00 0.00 174.62 174.74 3jzr s LEU 27 N 0.07 4.28 0.12 4.42 2.96 -0.74 -1.21 118.68 128.58 3jzr s LEU 27 Ca 0.61 1.17 0.04 0.00 -0.22 0.00 0.00 54.13 55.74 3jzr s LEU 27 Cb -0.41 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 3jzr s LEU 27 CO 0.39 -0.18 -0.10 0.68 -1.32 0.00 0.00 176.35 175.82 3jzr s VAL 28 N 1.13 1.08 -0.38 1.68 -7.23 0.25 -0.41 120.40 116.51 3jzr s VAL 28 Ca 0.37 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 3jzr s VAL 28 Cb -0.17 -1.62 0.11 0.00 0.56 0.00 0.00 36.38 35.26 3jzr s VAL 28 CO 0.17 -0.64 0.12 -0.60 -0.31 0.00 0.00 175.10 173.84 3jzr s ARG 29 N -3.26 1.69 0.55 4.82 3.52 0.13 -1.08 118.95 125.33 3jzr s ARG 29 Ca 0.11 -1.95 -0.21 0.00 -0.13 0.00 0.00 55.73 53.55 3jzr s ARG 29 Cb -0.00 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 3jzr s ARG 29 CO 0.00 -1.00 1.35 -2.14 -0.81 0.00 0.00 175.30 172.71 3jzr s PRO 30 N 0.82 3.09 0.82 5.12 0.02 -1.26 -1.66 135.00 141.96 3jzr s PRO 30 Ca 0.11 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.24 3jzr s PRO 30 Cb -0.21 -2.22 0.08 0.00 0.02 0.00 0.00 34.50 32.17 3jzr s PRO 30 CO -0.06 -1.22 1.11 0.15 -0.33 0.00 0.00 177.00 176.64 3jzr s LYS 31 N -2.95 1.88 0.11 5.54 1.02 0.07 -4.68 119.74 120.74 3jzr s LYS 31 Ca 0.72 0.54 -0.23 0.00 0.02 0.00 0.00 55.97 57.02 3jzr s LYS 31 Cb -0.40 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 3jzr s LYS 31 CO 0.47 -1.74 1.39 -1.35 -0.92 0.00 0.00 175.35 173.21 3jzr h PRO 32 N -1.17 -0.04 -0.64 -1.68 0.11 -1.95 0.93 132.00 127.56 3jzr h PRO 32 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 3jzr h PRO 32 Cb 1.28 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 3jzr h PRO 32 CO 0.60 -0.03 0.36 -0.07 -0.21 0.00 0.00 178.00 178.66 3jzr h LEU 33 N -0.04 0.56 -0.59 2.35 3.38 -1.94 -0.14 115.31 118.89 3jzr h LEU 33 Ca 0.11 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3jzr h LEU 33 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3jzr h LEU 33 CO -0.65 0.37 -0.11 0.25 0.09 0.00 0.00 178.44 178.40 3jzr h LEU 34 N 0.69 1.01 -0.59 1.67 5.85 -1.75 -2.43 115.31 119.76 3jzr h LEU 34 Ca 0.28 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3jzr h LEU 34 Cb 0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3jzr h LEU 34 CO -0.15 1.12 0.35 0.25 -0.34 0.00 0.00 178.44 179.67 3jzr h LEU 35 N 0.90 0.57 -1.06 2.25 5.85 -0.17 -1.16 115.31 122.48 3jzr h LEU 35 Ca 0.14 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3jzr h LEU 35 Cb 0.67 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3jzr h LEU 35 CO 0.05 0.39 0.46 0.50 -0.34 0.00 0.00 178.44 179.50 3jzr h LYS 36 N 0.69 1.11 -0.40 1.25 3.64 -0.90 -0.66 116.57 121.30 3jzr h LYS 36 Ca 0.24 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3jzr h LYS 36 Cb 0.04 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3jzr h LYS 36 CO -0.11 0.80 0.07 1.25 -2.27 0.00 0.00 179.45 179.19 3jzr h LEU 37 N 1.12 0.63 -0.31 5.20 6.46 -0.80 -1.93 115.31 125.67 3jzr h LEU 37 Ca 0.29 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 3jzr h LEU 37 Cb -0.00 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 3jzr h LEU 37 CO -0.05 0.72 0.02 -0.07 -0.62 0.00 0.00 178.44 178.44 3jzr h LEU 38 N 0.51 0.53 -2.05 2.25 3.38 -0.84 -2.73 115.31 116.35 3jzr h LEU 38 Ca 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3jzr h LEU 38 Cb 0.35 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3jzr h LEU 38 CO 0.01 0.69 -0.06 0.11 0.09 0.00 0.00 178.44 179.27 3jzr h LYS 39 N 0.34 0.00 0.00 1.13 1.57 -1.05 -1.12 116.57 117.44 3jzr h LYS 39 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3jzr h LYS 39 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3jzr h LYS 39 CO 0.01 0.06 -0.04 0.66 -0.57 0.00 0.00 179.45 179.58 3jzr h SER 40 N 0.00 0.00 -0.39 0.86 4.64 -1.02 -2.04 113.55 115.60 3jzr h SER 40 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3jzr h SER 40 Cb 0.13 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.14 3jzr h SER 40 CO 0.01 0.04 0.04 1.33 -0.87 0.00 0.00 176.83 177.37 3jzr n VAL 41 N -3.77 2.53 0.00 0.95 0.24 -0.45 -4.96 118.33 112.86 3jzr n VAL 41 Ca -0.03 -2.24 0.00 0.00 -2.04 0.00 0.00 64.34 60.03 3jzr n VAL 41 Cb 0.13 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 3jzr n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jzr n GLY 42 N -0.80 1.60 3.63 7.63 0.00 -0.77 -5.03 105.19 111.46 3jzr n GLY 42 Ca 0.31 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.86 3jzr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jzr n ALA 43 N -1.15 0.25 0.24 4.61 0.00 -1.03 -4.92 120.51 118.51 3jzr n ALA 43 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.91 3jzr n ALA 43 Cb 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 19.45 17.30 3jzr n ALA 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jzr n GLN 44 N 2.03 0.55 -4.46 0.00 1.13 -1.26 -4.43 117.38 110.93 3jzr n GLN 44 Ca 0.14 -0.73 -0.30 0.00 -1.94 0.00 0.00 57.00 54.17 3jzr n GLN 44 Cb 0.28 -1.06 -0.06 0.00 0.11 0.00 0.00 30.24 29.51 3jzr n GLN 44 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3jzr s LYS 45 N -0.61 2.19 -0.02 -1.09 1.02 -1.26 -5.05 119.74 114.92 3jzr s LYS 45 Ca 0.06 -2.21 0.21 0.00 0.02 0.00 0.00 55.97 54.05 3jzr s LYS 45 Cb 0.05 -1.73 -0.29 0.00 -0.52 0.00 0.00 37.83 35.33 3jzr s LYS 45 CO 0.09 -0.36 0.58 -0.25 -0.92 0.00 0.00 175.35 174.49 3jzr n ASP 46 N -1.34 0.45 -4.08 2.83 8.00 -1.26 -4.95 116.55 116.19 3jzr n ASP 46 Ca -0.11 -0.29 -0.14 0.00 0.71 0.00 0.00 54.79 54.96 3jzr n ASP 46 Cb 0.66 1.67 -0.11 0.00 -0.02 0.00 0.00 41.12 43.31 3jzr n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3jzr s THR 47 N -3.28 0.63 0.26 -3.53 -4.23 -1.26 -4.06 115.64 100.17 3jzr s THR 47 Ca -0.03 -1.16 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 3jzr s THR 47 Cb 0.14 -0.73 -0.01 0.00 1.34 0.00 0.00 72.50 73.24 3jzr s THR 47 CO 0.85 -0.39 0.40 -0.31 -0.54 0.00 0.00 174.62 174.63 3jzr s TYR 48 N -1.49 0.75 0.40 3.99 2.02 -0.24 -4.97 117.35 117.82 3jzr s TYR 48 Ca -0.08 -1.04 0.04 0.00 -0.37 0.00 0.00 57.07 55.62 3jzr s TYR 48 Cb -0.09 -0.07 -0.00 0.00 -0.40 0.00 0.00 41.96 41.40 3jzr s TYR 48 CO 0.00 -0.95 0.57 0.95 -1.57 0.00 0.00 175.55 174.55 3jzr s THR 49 N -3.78 3.86 0.33 -0.71 -4.23 -1.26 0.85 115.64 110.70 3jzr s THR 49 Ca 0.29 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 60.02 3jzr s THR 49 Cb 0.01 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.68 3jzr s THR 49 CO 0.13 -0.19 1.92 0.24 -0.54 0.00 0.00 174.62 176.18 3jzr h MET 50 N 0.64 0.71 -0.98 3.99 0.00 -0.99 -2.07 114.93 116.23 3jzr h MET 50 Ca -0.45 -0.10 0.10 0.00 0.00 0.00 0.00 59.70 59.24 3jzr h MET 50 Cb 1.26 -0.13 -0.07 0.00 0.00 0.00 0.00 31.60 32.66 3jzr h MET 50 CO 0.54 0.59 0.62 -0.22 0.00 0.00 0.00 176.91 178.44 3jzr h LYS 51 N 0.70 0.99 -0.11 1.72 3.64 -1.65 0.18 116.57 122.04 3jzr h LYS 51 Ca 0.17 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.30 3jzr h LYS 51 Cb 0.15 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3jzr h LYS 51 CO -0.02 0.66 -0.70 0.93 -2.27 0.00 0.00 179.45 178.05 3jzr h GLU 52 N 1.02 0.51 -0.48 1.90 5.08 -1.70 -1.70 114.58 119.21 3jzr h GLU 52 Ca 0.46 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3jzr h GLU 52 Cb 0.37 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3jzr h GLU 52 CO -0.21 1.02 0.24 0.28 -1.00 0.00 0.00 179.01 179.34 3jzr h VAL 53 N 0.36 1.18 -0.16 3.13 2.07 -0.70 -2.16 116.25 119.96 3jzr h VAL 53 Ca -0.03 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3jzr h VAL 53 Cb 1.28 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3jzr h VAL 53 CO 0.13 0.20 -0.25 -0.07 0.02 0.00 0.00 177.57 177.59 3jzr h LEU 54 N 0.63 0.29 0.63 2.57 -0.00 -0.66 -1.18 115.31 117.58 3jzr h LEU 54 Ca 0.16 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 3jzr h LEU 54 Cb 0.09 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 40.68 3jzr h LEU 54 CO -0.02 0.55 -0.30 0.15 -0.00 0.00 0.00 178.44 178.82 3jzr h PHE 55 N 0.27 -0.78 -0.89 1.13 3.57 -0.84 -1.22 116.94 118.17 3jzr h PHE 55 Ca 0.04 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3jzr h PHE 55 Cb 0.60 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 3jzr h PHE 55 CO 0.01 -0.44 0.53 1.88 -2.23 0.00 0.00 178.31 178.06 3jzr h TYR 56 N -1.01 1.18 -0.82 0.41 0.05 -1.38 -1.27 116.97 114.13 3jzr h TYR 56 Ca -0.09 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 3jzr h TYR 56 Cb 0.69 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 3jzr h TYR 56 CO -0.00 0.79 0.41 1.25 -1.05 0.00 0.00 178.16 179.55 3jzr h LEU 57 N 1.23 1.05 -0.11 3.88 5.85 -1.18 0.13 115.31 126.16 3jzr h LEU 57 Ca 0.32 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3jzr h LEU 57 Cb -0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3jzr h LEU 57 CO -0.06 0.88 0.06 1.23 -0.34 0.00 0.00 178.44 180.21 3jzr h GLY 58 N 1.15 0.17 0.61 3.75 0.00 -0.56 -1.97 103.07 106.22 3jzr h GLY 58 Ca 0.28 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.62 3jzr h GLY 58 CO -0.04 0.08 0.55 1.46 0.00 0.00 0.00 176.54 178.59 3jzr h GLN 59 N 0.06 0.92 0.01 4.80 1.08 -0.69 0.11 115.11 121.40 3jzr h GLN 59 Ca 0.04 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3jzr h GLN 59 Cb 0.10 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3jzr h GLN 59 CO -0.01 0.61 -0.05 -0.92 -0.95 0.00 0.00 178.83 177.51 3jzr h TYR 60 N 0.95 -0.13 -0.20 2.96 3.20 -0.44 0.28 116.97 123.59 3jzr h TYR 60 Ca 0.42 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.26 3jzr h TYR 60 Cb 0.30 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3jzr h TYR 60 CO -0.03 -0.09 0.01 0.82 -1.64 0.00 0.00 178.16 177.24 3jzr h ILE 61 N -0.10 1.24 0.45 1.81 2.04 -0.79 -1.43 117.51 120.73 3jzr h ILE 61 Ca 0.02 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3jzr h ILE 61 Cb 0.12 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3jzr h ILE 61 CO -0.05 0.25 -0.32 -0.03 0.00 0.00 0.00 178.15 178.00 3jzr h MET 62 N 0.11 -0.73 -0.51 2.37 4.05 -0.73 0.32 114.93 119.82 3jzr h MET 62 Ca 0.06 0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.60 3jzr h MET 62 Cb 0.36 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.26 3jzr h MET 62 CO 0.01 -0.48 0.16 1.15 0.23 0.00 0.00 176.91 177.97 3jzr h THR 63 N -0.75 0.78 -0.00 -0.77 2.02 -0.39 -1.22 112.91 112.58 3jzr h THR 63 Ca -0.05 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3jzr h THR 63 Cb 0.64 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3jzr h THR 63 CO 0.02 0.06 0.00 0.29 0.37 0.00 0.00 175.52 176.26 3jzr n LYS 64 N -5.04 1.09 -3.82 6.66 5.02 -0.54 -4.93 118.16 116.60 3jzr n LYS 64 Ca 0.06 -0.13 -0.24 0.00 -2.02 0.00 0.00 58.31 55.98 3jzr n LYS 64 Cb 0.23 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 3jzr n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jzr n ARG 65 N -0.84 -4.29 0.12 1.97 1.74 0.06 -4.88 116.66 110.54 3jzr n ARG 65 Ca 0.23 0.53 0.13 0.00 -0.77 0.00 0.00 57.85 57.97 3jzr n ARG 65 Cb 0.14 -4.95 0.39 0.00 -1.02 0.00 0.00 32.46 27.03 3jzr n ARG 65 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3jzr h LEU 66 N -1.86 0.00-10.35 0.55 3.38 -1.72 -3.46 115.31 101.86 3jzr h LEU 66 Ca -0.62 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.84 3jzr h LEU 66 Cb 1.37 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.18 3jzr h LEU 66 CO 0.60 0.00 0.41 -0.72 0.09 0.00 0.00 178.44 178.81 3jzr s TYR 67 N -3.14 3.50 0.06 1.13 -0.85 -1.26 -0.57 117.35 116.22 3jzr s TYR 67 Ca 0.09 1.33 -0.30 0.00 -0.52 0.00 0.00 57.07 57.67 3jzr s TYR 67 Cb 0.11 -2.76 -0.05 0.00 0.38 0.00 0.00 41.96 39.64 3jzr s TYR 67 CO 0.58 -0.81 1.05 0.34 -1.52 0.00 0.00 175.55 175.20 3jzr s ASP 68 N -4.04 7.30 0.44 -0.18 2.15 0.10 -4.87 116.67 117.57 3jzr s ASP 68 Ca 0.56 1.85 0.11 0.00 0.43 0.00 0.00 52.55 55.49 3jzr s ASP 68 Cb -0.12 -2.58 1.00 0.00 -0.30 0.00 0.00 42.92 40.92 3jzr s ASP 68 CO 0.53 -0.27 2.07 -0.33 -0.17 0.00 0.00 175.17 177.00 3jzr h GLU 69 N 6.31 0.37 0.14 4.34 5.08 -1.94 -2.07 114.58 126.81 3jzr h GLU 69 Ca -0.42 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.56 3jzr h GLU 69 Cb 1.22 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3jzr h GLU 69 CO 0.76 0.24 -1.88 -0.22 -1.00 0.00 0.00 179.01 176.91 3jzr h LYS 70 N 0.38 0.30 -3.06 2.33 1.63 -1.99 -3.41 116.57 112.75 3jzr h LYS 70 Ca 0.13 -0.52 -0.62 0.00 -0.85 0.00 0.00 60.65 58.79 3jzr h LYS 70 Cb 0.07 0.19 -0.41 0.00 -0.60 0.00 0.00 32.23 31.48 3jzr h LYS 70 CO -0.03 1.25 -0.65 -0.65 -3.45 0.00 0.00 179.45 175.92 3jzr s GLN 71 N -2.56 2.04 0.00 1.90 -0.21 -1.17 -4.98 119.66 114.68 3jzr s GLN 71 Ca -0.20 -2.88 0.02 0.00 0.02 0.00 0.00 55.36 52.31 3jzr s GLN 71 Cb 0.06 -3.05 0.10 0.00 1.00 0.00 0.00 33.01 31.12 3jzr s GLN 71 CO 0.79 -1.24 0.73 1.04 -2.12 0.00 0.00 175.29 174.50 3jzr n GLN 72 N 2.53 0.04 0.00 2.91 6.02 -0.79 -1.18 117.38 126.91 3jzr n GLN 72 Ca 0.16 0.14 0.12 0.00 -0.01 0.00 0.00 57.00 57.41 3jzr n GLN 72 Cb 0.36 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.35 3jzr n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3jzr n HIS 73 N -1.15 0.01 -3.17 1.08 1.44 -1.26 -4.64 115.22 107.53 3jzr n HIS 73 Ca 0.01 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.33 3jzr n HIS 73 Cb 0.01 -0.25 -0.06 0.00 0.12 0.00 0.00 29.99 29.81 3jzr n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3jzr s ILE 74 N -3.00 5.05 -0.12 0.61 -1.09 -0.32 -0.57 121.20 121.76 3jzr s ILE 74 Ca 0.11 1.09 -0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3jzr s ILE 74 Cb 0.17 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 3jzr s ILE 74 CO 0.71 0.13 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.75 3jzr s VAL 75 N 1.82 3.27 -0.20 2.92 1.01 -0.46 0.03 120.40 128.79 3jzr s VAL 75 Ca 0.27 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3jzr s VAL 75 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3jzr s VAL 75 CO 0.10 0.53 0.08 -0.31 0.00 0.00 0.00 175.10 175.50 3jzr s TYR 76 N 0.14 3.21 -0.01 5.22 2.02 0.27 -1.83 117.35 126.38 3jzr s TYR 76 Ca -0.05 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3jzr s TYR 76 Cb -0.15 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3jzr s TYR 76 CO 0.04 0.02 0.77 0.00 -1.57 0.00 0.00 175.55 174.82 3jzr h SER 78 N 0.00 0.00 -1.23 0.00 4.64 -1.50 -2.04 113.55 113.42 3jzr h SER 78 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3jzr h SER 78 Cb 1.08 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.76 3jzr h SER 78 CO 0.00 0.00 -0.52 0.59 -0.87 0.00 0.00 176.83 176.03 3jzr n ASN 79 N -4.36 5.20 -3.83 4.97 5.03 -1.26 -4.92 115.26 116.08 3jzr n ASN 79 Ca 0.00 -3.75 -0.11 0.00 0.87 0.00 0.00 54.58 51.59 3jzr n ASN 79 Cb 0.22 -0.49 -0.09 0.00 -1.02 0.00 0.00 39.78 38.40 3jzr n ASN 79 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3jzr s ASP 80 N -3.27 -0.02 0.46 6.41 2.15 -0.80 -5.01 116.67 116.60 3jzr s ASP 80 Ca 0.51 -0.22 0.18 0.00 0.43 0.00 0.00 52.55 53.44 3jzr s ASP 80 Cb 0.41 0.27 1.16 0.00 -0.30 0.00 0.00 42.92 44.46 3jzr s ASP 80 CO -0.11 -0.48 1.96 0.25 -0.17 0.00 0.00 175.17 176.62 3jzr h LEU 81 N 3.78 0.26 -1.47 -1.34 5.85 -1.95 0.19 115.31 120.64 3jzr h LEU 81 Ca -0.31 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.44 3jzr h LEU 81 Cb 1.19 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3jzr h LEU 81 CO 0.44 0.14 0.38 0.25 -0.34 0.00 0.00 178.44 179.31 3jzr h LEU 82 N 0.28 0.60 -0.58 2.25 5.85 -1.95 -0.62 115.31 121.15 3jzr h LEU 82 Ca 0.30 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3jzr h LEU 82 Cb 0.81 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3jzr h LEU 82 CO -0.07 0.43 0.12 1.23 -0.34 0.00 0.00 178.44 179.81 3jzr h GLY 83 N 0.71 1.01 1.50 3.75 0.00 -0.26 -0.10 103.07 109.68 3jzr h GLY 83 Ca 0.22 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 3jzr h GLY 83 CO -0.05 0.61 -0.14 -0.55 0.00 0.00 0.00 176.54 176.40 3jzr h ASP 84 N 0.84 0.59 -0.25 0.19 3.32 -1.16 0.13 116.42 120.07 3jzr h ASP 84 Ca 0.18 -0.17 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 3jzr h ASP 84 Cb 0.38 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3jzr h ASP 84 CO 0.01 0.75 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.60 3jzr h LEU 85 N 0.54 0.97 0.00 1.55 3.38 -0.75 -3.29 115.31 117.72 3jzr h LEU 85 Ca 0.09 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3jzr h LEU 85 Cb 0.56 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3jzr h LEU 85 CO 0.04 1.35 -0.75 -0.26 0.09 0.00 0.00 178.44 178.90 3jzr h PHE 86 N 0.63 0.00 -0.62 1.13 -1.00 -0.97 -3.46 116.94 112.65 3jzr h PHE 86 Ca -0.00 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.60 3jzr h PHE 86 Cb 1.22 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.73 3jzr h PHE 86 CO 0.08 0.00 -0.17 0.41 -1.61 0.00 0.00 178.31 177.01 3jzr n GLY 87 N 1.19 0.77 3.13 -1.45 0.00 0.44 -4.95 105.19 104.32 3jzr n GLY 87 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 3jzr n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jzr s VAL 88 N -2.34 0.68 -0.34 1.61 -7.23 -1.20 -5.05 120.40 106.53 3jzr s VAL 88 Ca 0.00 -1.60 0.22 0.00 -1.81 0.00 0.00 61.98 58.78 3jzr s VAL 88 Cb 0.00 -1.27 0.19 0.00 0.56 0.00 0.00 36.38 35.86 3jzr s VAL 88 CO 0.00 -0.66 1.39 1.55 -0.31 0.00 0.00 175.10 177.07 3jzr h PRO 89 N 3.57 0.00 -2.18 4.82 0.13 -1.89 -3.40 132.00 133.05 3jzr h PRO 89 Ca -0.36 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.94 3jzr h PRO 89 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 3jzr h PRO 89 CO 0.55 0.06 0.54 -1.54 -0.23 0.00 0.00 178.00 177.38 3jzr s SER 90 N -5.96 -0.24 0.20 1.44 1.04 -1.26 -0.38 113.70 108.53 3jzr s SER 90 Ca 0.04 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 3jzr s SER 90 Cb 0.07 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.63 3jzr s SER 90 CO 0.72 -0.69 0.63 0.72 0.98 0.00 0.00 173.24 175.61 3jzr s PHE 91 N -3.08 -0.39 -0.21 5.02 -0.12 -0.76 -4.97 117.98 113.47 3jzr s PHE 91 Ca 0.09 0.09 -0.09 0.00 -0.05 0.00 0.00 56.93 56.97 3jzr s PHE 91 Cb -0.01 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 3jzr s PHE 91 CO -0.04 -0.98 0.12 0.45 -0.05 0.00 0.00 175.22 174.72 3jzr s SER 92 N -2.81 6.01 0.56 1.98 0.15 -1.26 -1.35 113.70 116.97 3jzr s SER 92 Ca 0.05 0.15 0.37 0.00 0.70 0.00 0.00 55.95 57.22 3jzr s SER 92 Cb -0.03 -2.06 1.94 0.00 -1.71 0.00 0.00 66.02 64.17 3jzr s SER 92 CO -0.06 0.15 2.14 0.58 1.20 0.00 0.00 173.24 177.24 3jzr h VAL 93 N 4.83 0.00 0.00 4.45 2.07 -1.21 -1.85 116.25 124.54 3jzr h VAL 93 Ca -0.39 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3jzr h VAL 93 Cb 1.16 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3jzr h VAL 93 CO 0.72 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.60 3jzr n LYS 94 N -2.86 0.09 -2.68 1.57 5.02 -1.26 -4.13 118.16 113.90 3jzr n LYS 94 Ca -0.02 0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 3jzr n LYS 94 Cb 0.11 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.48 3jzr n LYS 94 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3jzr n GLU 95 N -1.81 3.82 -0.03 1.97 -0.58 -0.70 -4.86 120.64 118.45 3jzr n GLU 95 Ca 0.05 -3.93 -0.09 0.00 -0.42 0.00 0.00 57.16 52.77 3jzr n GLU 95 Cb 0.30 -2.80 -0.03 0.00 -0.57 0.00 0.00 31.44 28.34 3jzr n GLU 95 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3jzr h HIS 96 N 5.93 -0.80 -0.92 -0.32 3.86 -1.84 -1.94 115.15 119.11 3jzr h HIS 96 Ca 0.31 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.59 3jzr h HIS 96 Cb 0.68 0.39 -0.05 0.00 1.06 0.00 0.00 27.41 29.48 3jzr h HIS 96 CO 1.13 -0.37 0.60 -0.09 0.86 0.00 0.00 177.93 180.06 3jzr h ARG 97 N -0.32 1.15 -0.74 2.45 9.65 -1.89 -2.06 114.38 122.62 3jzr h ARG 97 Ca 0.12 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3jzr h ARG 97 Cb 0.51 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3jzr h ARG 97 CO -0.39 0.76 0.34 0.87 2.80 0.00 0.00 179.97 184.35 3jzr h LYS 98 N 1.19 1.08 -0.39 0.20 1.57 -1.85 -1.20 116.57 117.16 3jzr h LYS 98 Ca 0.36 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3jzr h LYS 98 Cb -0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3jzr h LYS 98 CO -0.10 0.85 0.19 0.82 -0.57 0.00 0.00 179.45 180.64 3jzr h ILE 99 N 1.04 1.17 -0.65 1.86 2.04 -0.96 -1.52 117.51 120.49 3jzr h ILE 99 Ca 0.25 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3jzr h ILE 99 Cb 0.14 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3jzr h ILE 99 CO -0.03 0.18 0.42 1.88 0.00 0.00 0.00 178.15 180.60 3jzr h TYR 100 N 0.49 0.83 -0.56 1.37 -1.99 -1.14 -0.77 116.97 115.20 3jzr h TYR 100 Ca 0.13 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.89 3jzr h TYR 100 Cb 0.12 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.53 3jzr h TYR 100 CO -0.01 0.54 0.36 1.15 -0.00 0.00 0.00 178.16 180.19 3jzr h THR 101 N 0.88 1.10 -0.16 -2.88 2.02 -0.96 0.40 112.91 113.31 3jzr h THR 101 Ca 0.24 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 3jzr h THR 101 Cb -0.07 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3jzr h THR 101 CO -0.05 0.13 -0.27 0.24 0.37 0.00 0.00 175.52 175.95 3jzr h MET 102 N 0.71 0.29 -0.25 6.66 2.86 -0.90 -3.02 114.93 121.27 3jzr h MET 102 Ca 0.22 -0.10 -0.19 0.00 -2.06 0.00 0.00 59.70 57.57 3jzr h MET 102 Cb -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3jzr h MET 102 CO -0.08 0.54 -0.57 0.82 1.06 0.00 0.00 176.91 178.68 3jzr h ILE 103 N 0.26 1.28 -0.06 -1.22 2.04 -0.34 -3.22 117.51 116.25 3jzr h ILE 103 Ca 0.04 -1.76 0.02 0.00 1.00 0.00 0.00 64.86 64.16 3jzr h ILE 103 Cb 0.61 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3jzr h ILE 103 CO 0.04 0.57 0.06 1.88 0.00 0.00 0.00 178.15 180.71 3jzr h TYR 104 N 0.59 0.00 0.00 1.37 0.05 -0.82 -0.52 116.97 117.65 3jzr h TYR 104 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3jzr h TYR 104 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3jzr h TYR 104 CO 0.08 0.00 0.00 0.54 -1.05 0.00 0.00 178.16 177.73 3jzr n ARG 105 N -3.98 0.32 -0.27 4.88 1.74 -1.22 -2.88 116.66 115.25 3jzr n ARG 105 Ca -0.01 0.05 0.07 0.00 -0.77 0.00 0.00 57.85 57.19 3jzr n ARG 105 Cb 0.16 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.29 3jzr n ARG 105 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3jzr n ASN 106 N -1.31 3.19 -3.81 0.55 3.02 -0.20 -5.02 115.26 111.68 3jzr n ASN 106 Ca 0.11 -2.64 -0.08 0.00 -0.03 0.00 0.00 54.58 51.94 3jzr n ASN 106 Cb 0.21 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 3jzr n ASN 106 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 3jzr s LEU 107 N -2.14 -0.25 -0.11 3.41 0.05 -1.14 -0.75 118.68 117.75 3jzr s LEU 107 Ca 0.31 -0.56 0.01 0.00 0.05 0.00 0.00 54.13 53.95 3jzr s LEU 107 Cb 0.24 2.64 -0.01 0.00 -2.05 0.00 0.00 46.19 47.00 3jzr s LEU 107 CO 0.09 -1.28 -0.17 -0.69 -0.55 0.00 0.00 176.35 173.75 3jzr s VAL 108 N -3.91 2.73 -0.06 1.48 1.01 -0.66 -4.90 120.40 116.09 3jzr s VAL 108 Ca 0.11 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3jzr s VAL 108 Cb -0.05 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3jzr s VAL 108 CO 0.05 0.54 1.23 -0.69 0.00 0.00 0.00 175.10 176.22 3jzr s VAL 109 N 0.27 4.20 -0.14 2.92 1.01 -1.26 -0.69 120.40 126.70 3jzr s VAL 109 Ca -0.12 1.52 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 3jzr s VAL 109 Cb -0.16 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 3jzr s VAL 109 CO 0.06 -0.01 0.03 0.58 0.00 0.00 0.00 175.10 175.77 3jzr h VAL 110 N 5.04 0.34 -3.30 2.92 2.07 -1.07 -3.48 116.25 118.77 3jzr h VAL 110 Ca -0.34 -1.35 -0.29 0.00 0.82 0.00 0.00 66.70 65.54 3jzr h VAL 110 Cb 1.16 0.74 -0.35 0.00 -1.52 0.00 0.00 31.29 31.32 3jzr h VAL 110 CO 0.89 0.12 -0.67 0.21 0.02 0.00 0.00 177.57 178.14 3jzr s ASN 111 N -5.94 0.35 0.00 0.57 2.47 -1.10 -5.01 114.94 106.29 3jzr s ASN 111 Ca -0.14 0.19 0.22 0.00 0.42 0.00 0.00 52.86 53.55 3jzr s ASN 111 Cb 0.02 0.07 0.17 0.00 -1.45 0.00 0.00 41.25 40.06 3jzr s ASN 111 CO 0.27 -0.18 1.19 1.67 -3.72 0.00 0.00 177.10 176.33