#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jzp h ILE 24 N 0.00 0.61 -0.38 5.09 6.09 -2.03 -1.62 117.51 125.28 3jzp h ILE 24 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 3jzp h ILE 24 Cb 0.00 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.41 3jzp h ILE 24 CO 0.00 0.05 0.00 -0.46 -3.07 0.00 0.00 178.15 174.67 3jzp n ASN 25 N -3.87 2.31 -4.72 2.19 6.94 -1.26 -4.87 115.26 111.99 3jzp n ASN 25 Ca -0.03 -1.93 -0.23 0.00 -0.02 0.00 0.00 54.58 52.37 3jzp n ASN 25 Cb 0.14 -0.25 -0.06 0.00 -2.36 0.00 0.00 39.78 37.24 3jzp n ASN 25 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3jzp s GLN 26 N -1.50 2.55 0.07 -3.83 -1.52 -0.61 -4.16 119.66 110.67 3jzp s GLN 26 Ca 0.31 -1.21 0.01 0.00 -1.95 0.00 0.00 55.36 52.52 3jzp s GLN 26 Cb 0.17 -2.35 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 3jzp s GLN 26 CO 0.23 0.40 -0.06 0.14 -0.25 0.00 0.00 175.29 175.75 3jzp s VAL 27 N -2.13 0.53 -0.33 1.09 -7.23 0.32 -4.61 120.40 108.05 3jzp s VAL 27 Ca 0.31 -1.73 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 3jzp s VAL 27 Cb -0.08 -1.41 0.08 0.00 0.56 0.00 0.00 36.38 35.54 3jzp s VAL 27 CO 0.21 -0.81 0.03 -0.60 -0.31 0.00 0.00 175.10 173.63 3jzp s ARG 28 N -3.40 1.91 0.33 4.82 3.52 -0.03 -1.50 118.95 124.61 3jzp s ARG 28 Ca 0.06 -1.65 -0.29 0.00 -0.13 0.00 0.00 55.73 53.72 3jzp s ARG 28 Cb 0.03 -3.20 -0.11 0.00 -1.56 0.00 0.00 34.95 30.11 3jzp s ARG 28 CO -0.05 -0.83 1.50 -2.14 -0.81 0.00 0.00 175.30 172.98 3jzp s PRO 29 N 1.05 4.15 0.74 5.12 0.02 -1.25 -1.23 135.00 143.59 3jzp s PRO 29 Ca 0.03 2.52 -0.13 0.00 0.02 0.00 0.00 61.00 63.44 3jzp s PRO 29 Cb -0.20 -3.01 0.04 0.00 0.02 0.00 0.00 34.50 31.35 3jzp s PRO 29 CO -0.05 -0.53 1.14 0.15 -0.33 0.00 0.00 177.00 177.38 3jzp s LYS 30 N -1.34 2.23 0.22 5.54 1.02 0.25 -4.56 119.74 123.10 3jzp s LYS 30 Ca 0.57 1.48 -0.19 0.00 0.02 0.00 0.00 55.97 57.85 3jzp s LYS 30 Cb -0.46 -1.87 0.20 0.00 -0.52 0.00 0.00 37.83 35.18 3jzp s LYS 30 CO 0.55 -1.71 1.56 -0.07 -0.92 0.00 0.00 175.35 174.76 3jzp h LEU 31 N -0.58 -1.41 -1.17 3.17 3.38 -1.93 -0.06 115.31 116.71 3jzp h LEU 31 Ca -0.46 0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3jzp h LEU 31 Cb 1.26 0.72 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 3jzp h LEU 31 CO 0.50 -0.29 0.06 1.55 0.09 0.00 0.00 178.44 180.35 3jzp h PRO 32 N -0.04 0.64 -0.17 1.13 0.13 -1.98 -0.58 132.00 131.12 3jzp h PRO 32 Ca 0.31 -0.13 -0.14 0.00 -0.87 0.00 0.00 66.00 65.18 3jzp h PRO 32 Cb 0.58 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3jzp h PRO 32 CO -0.91 0.61 -0.47 1.25 -0.23 0.00 0.00 178.00 178.25 3jzp h LEU 33 N 0.61 0.47 -0.98 1.56 5.85 -1.55 -2.86 115.31 118.41 3jzp h LEU 33 Ca 0.14 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3jzp h LEU 33 Cb 0.30 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3jzp h LEU 33 CO 0.00 0.87 0.17 0.25 -0.34 0.00 0.00 178.44 179.40 3jzp h LEU 34 N 0.35 0.85 -1.07 2.25 5.85 -0.31 -1.24 115.31 121.97 3jzp h LEU 34 Ca 0.02 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3jzp h LEU 34 Cb 0.96 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 3jzp h LEU 34 CO 0.08 0.81 0.61 0.11 -0.34 0.00 0.00 178.44 179.71 3jzp h LYS 35 N 0.88 1.23 -0.28 1.25 1.79 -0.97 0.12 116.57 120.59 3jzp h LYS 35 Ca 0.19 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.54 3jzp h LYS 35 Cb 0.28 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3jzp h LYS 35 CO -0.01 0.82 -0.01 0.82 -1.08 0.00 0.00 179.45 179.99 3jzp h ILE 36 N 1.27 1.26 -0.54 1.86 2.04 -1.15 -1.10 117.51 121.15 3jzp h ILE 36 Ca 0.34 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3jzp h ILE 36 Cb -0.14 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3jzp h ILE 36 CO -0.07 0.31 0.21 -0.07 0.00 0.00 0.00 178.15 178.52 3jzp h LEU 37 N 0.29 0.75 -0.74 1.44 3.38 -0.68 -2.59 115.31 117.17 3jzp h LEU 37 Ca 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3jzp h LEU 37 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3jzp h LEU 37 CO 0.02 0.72 0.35 0.45 0.09 0.00 0.00 178.44 180.07 3jzp h HIS 38 N 0.74 1.07 -0.74 1.13 3.86 -0.73 -1.55 115.15 118.93 3jzp h HIS 38 Ca 0.18 -0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.48 3jzp h HIS 38 Cb 0.21 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 3jzp h HIS 38 CO 0.01 0.79 0.49 0.00 0.86 0.00 0.00 177.93 180.08 3jzp h ALA 39 N 1.18 2.08 -0.09 2.45 0.00 -0.83 0.59 119.26 124.64 3jzp h ALA 39 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3jzp h ALA 39 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jzp h ALA 39 CO -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3jzp n ALA 40 N -2.52 2.56 0.00 0.00 0.00 -0.79 -4.91 120.51 114.86 3jzp n ALA 40 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3jzp n ALA 40 Cb 0.50 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3jzp n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jzp n GLY 41 N 1.03 0.71 3.78 0.00 0.00 0.20 -4.87 105.19 106.03 3jzp n GLY 41 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3jzp n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jzp s ALA 42 N -2.00 2.52 0.03 4.61 0.00 -0.65 -4.98 121.76 121.29 3jzp s ALA 42 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3jzp s ALA 42 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3jzp s ALA 42 CO 0.00 -1.18 -0.12 -0.65 0.00 0.00 0.00 175.76 173.81 3jzp s GLN 43 N -4.04 0.85 0.09 0.00 -0.21 -1.26 -4.41 119.66 110.68 3jzp s GLN 43 Ca 0.67 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.41 3jzp s GLN 43 Cb -0.20 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 32.99 3jzp s GLN 43 CO 0.40 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 174.19 3jzp n GLY 44 N 2.11 -2.06 0.00 3.09 0.00 -1.26 -4.85 105.19 102.23 3jzp n GLY 44 Ca -0.17 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3jzp n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jzp n GLU 45 N -0.02 0.70 -4.92 1.61 1.02 -1.26 -5.03 120.64 112.75 3jzp n GLU 45 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3jzp n GLU 45 Cb 0.00 -0.98 -0.15 0.00 -0.02 0.00 0.00 31.44 30.29 3jzp n GLU 45 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3jzp s MET 46 N -1.92 1.73 0.12 3.49 -1.94 -1.26 -3.96 119.30 115.56 3jzp s MET 46 Ca 0.00 -1.00 -0.09 0.00 -1.71 0.00 0.00 55.69 52.89 3jzp s MET 46 Cb 0.00 -1.83 -0.00 0.00 2.01 0.00 0.00 34.83 35.01 3jzp s MET 46 CO 0.00 0.48 0.24 -0.06 -0.01 0.00 0.00 175.02 175.67 3jzp s PHE 47 N -0.73 0.21 0.60 -0.03 0.08 -0.56 -4.94 117.98 112.61 3jzp s PHE 47 Ca 0.10 -0.61 -0.07 0.00 0.12 0.00 0.00 56.93 56.47 3jzp s PHE 47 Cb -0.09 -0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.33 3jzp s PHE 47 CO 0.01 -0.62 0.94 0.95 -0.10 0.00 0.00 175.22 176.40 3jzp s THR 48 N -3.90 3.83 0.27 0.64 -4.23 -1.26 -0.52 115.64 110.46 3jzp s THR 48 Ca 0.09 0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.75 3jzp s THR 48 Cb 0.04 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.54 3jzp s THR 48 CO -0.07 -0.59 1.86 0.58 -0.54 0.00 0.00 174.62 175.87 3jzp h VAL 49 N -0.24 1.23 -0.89 2.29 2.07 -1.96 -1.00 116.25 117.75 3jzp h VAL 49 Ca -0.45 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3jzp h VAL 49 Cb 1.25 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3jzp h VAL 49 CO 0.62 0.28 0.54 0.11 0.02 0.00 0.00 177.57 179.13 3jzp h LYS 50 N 1.04 1.20 -0.35 1.57 1.57 -1.93 -0.63 116.57 119.03 3jzp h LYS 50 Ca 0.25 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3jzp h LYS 50 Cb 0.11 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3jzp h LYS 50 CO -0.03 0.83 0.05 0.93 -0.57 0.00 0.00 179.45 180.66 3jzp h GLU 51 N 1.22 0.59 -0.46 3.15 5.08 -1.69 -0.67 114.58 121.81 3jzp h GLU 51 Ca 0.32 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3jzp h GLU 51 Cb -0.06 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 3jzp h GLU 51 CO -0.06 0.68 0.19 0.28 -1.00 0.00 0.00 179.01 179.09 3jzp h VAL 52 N 0.43 0.89 -0.55 3.13 2.07 -0.66 -1.03 116.25 120.52 3jzp h VAL 52 Ca 0.11 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3jzp h VAL 52 Cb 0.38 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3jzp h VAL 52 CO 0.01 0.07 0.05 0.24 0.02 0.00 0.00 177.57 177.95 3jzp h MET 53 N 0.38 0.91 0.20 1.57 2.86 -1.01 -0.28 114.93 119.56 3jzp h MET 53 Ca 0.21 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3jzp h MET 53 Cb 0.18 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3jzp h MET 53 CO -0.19 0.87 -0.10 1.25 1.06 0.00 0.00 176.91 179.81 3jzp h HIS 54 N 0.85 -0.25 -0.15 -0.22 6.17 -0.53 -0.14 115.15 120.88 3jzp h HIS 54 Ca 0.17 -0.01 -0.13 0.00 0.71 0.00 0.00 60.37 61.11 3jzp h HIS 54 Cb 0.44 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 3jzp h HIS 54 CO 0.03 -0.13 -0.46 1.88 0.71 0.00 0.00 177.93 179.96 3jzp h TYR 55 N -0.31 0.47 -0.39 5.26 0.05 -1.07 -1.41 116.97 119.57 3jzp h TYR 55 Ca -0.03 -0.14 -0.10 0.00 0.05 0.00 0.00 58.73 58.50 3jzp h TYR 55 Cb 0.24 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3jzp h TYR 55 CO -0.05 0.78 -0.18 1.25 -1.05 0.00 0.00 178.16 178.91 3jzp h LEU 56 N 0.31 0.75 -0.53 3.88 5.85 -0.95 -0.59 115.31 124.02 3jzp h LEU 56 Ca 0.02 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 3jzp h LEU 56 Cb 0.94 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3jzp h LEU 56 CO 0.08 0.93 0.07 1.23 -0.34 0.00 0.00 178.44 180.41 3jzp h GLY 57 N 0.97 0.96 1.07 3.75 0.00 -0.84 -2.07 103.07 106.92 3jzp h GLY 57 Ca 0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 3jzp h GLY 57 CO 0.05 0.60 0.32 1.46 0.00 0.00 0.00 176.54 178.98 3jzp h GLN 58 N 0.78 1.18 -0.20 4.80 1.08 -0.94 -0.14 115.11 121.67 3jzp h GLN 58 Ca 0.16 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3jzp h GLN 58 Cb 0.43 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 3jzp h GLN 58 CO 0.01 0.95 0.10 -0.92 -0.95 0.00 0.00 178.83 178.02 3jzp h TYR 59 N 1.15 0.18 -0.68 2.96 3.20 -0.87 0.58 116.97 123.48 3jzp h TYR 59 Ca 0.27 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 3jzp h TYR 59 Cb 0.20 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3jzp h TYR 59 CO 0.02 0.10 0.21 0.82 -1.64 0.00 0.00 178.16 177.67 3jzp h ILE 60 N 0.21 1.25 0.08 1.81 2.04 -0.98 -1.92 117.51 120.00 3jzp h ILE 60 Ca 0.08 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3jzp h ILE 60 Cb 0.02 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3jzp h ILE 60 CO -0.05 0.34 -0.04 0.24 0.00 0.00 0.00 178.15 178.64 3jzp h MET 61 N 0.99 -0.10 0.00 2.37 2.86 -0.74 -1.46 114.93 118.85 3jzp h MET 61 Ca 0.22 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 3jzp h MET 61 Cb 0.30 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3jzp h MET 61 CO -0.01 0.28 -0.42 -0.39 1.06 0.00 0.00 176.91 177.43 3jzp h VAL 62 N -0.50 1.26 -0.00 -2.22 -1.51 -0.91 -1.26 116.25 111.10 3jzp h VAL 62 Ca -0.01 -1.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 3jzp h VAL 62 Cb 0.43 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3jzp h VAL 62 CO 0.02 0.41 -0.09 0.29 -1.23 0.00 0.00 177.57 176.97 3jzp n LYS 63 N -3.97 0.76 -3.87 5.19 5.02 -0.73 -4.93 118.16 115.63 3jzp n LYS 63 Ca -0.02 -0.25 -0.29 0.00 -2.02 0.00 0.00 58.31 55.74 3jzp n LYS 63 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3jzp n LYS 63 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3jzp n GLN 64 N -0.91 -2.38 0.15 1.97 6.02 -0.48 -4.89 117.38 116.87 3jzp n GLN 64 Ca 0.15 0.40 0.12 0.00 -0.01 0.00 0.00 57.00 57.66 3jzp n GLN 64 Cb 0.27 -4.25 0.16 0.00 1.02 0.00 0.00 30.24 27.44 3jzp n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3jzp h LEU 65 N -1.91 0.00-10.14 1.08 3.38 -1.55 -3.47 115.31 102.69 3jzp h LEU 65 Ca -0.65 -0.03 -0.49 0.00 0.09 0.00 0.00 57.88 56.80 3jzp h LEU 65 Cb 1.37 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.19 3jzp h LEU 65 CO 0.57 0.01 0.39 -0.72 0.09 0.00 0.00 178.44 178.78 3jzp s TYR 66 N -3.23 2.86 0.05 1.13 -0.85 -1.26 -1.38 117.35 114.68 3jzp s TYR 66 Ca 0.05 1.54 -0.31 0.00 -0.52 0.00 0.00 57.07 57.84 3jzp s TYR 66 Cb 0.08 -3.11 -0.07 0.00 0.38 0.00 0.00 41.96 39.24 3jzp s TYR 66 CO 0.70 -1.24 1.52 0.34 -1.52 0.00 0.00 175.55 175.35 3jzp s ASP 67 N -2.35 6.72 0.40 -0.18 3.68 0.55 -4.86 116.67 120.64 3jzp s ASP 67 Ca 0.67 2.33 0.08 0.00 2.13 0.00 0.00 52.55 57.76 3jzp s ASP 67 Cb -0.18 -2.57 0.84 0.00 -1.45 0.00 0.00 42.92 39.56 3jzp s ASP 67 CO 0.31 -0.79 2.02 -0.61 0.13 0.00 0.00 175.17 176.23 3jzp h GLN 68 N 7.87 0.45 0.16 4.34 5.75 -1.93 -2.83 115.11 128.91 3jzp h GLN 68 Ca -0.41 -0.05 -0.34 0.00 -0.15 0.00 0.00 58.65 57.71 3jzp h GLN 68 Cb 1.19 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.65 3jzp h GLN 68 CO 0.91 0.36 -1.74 1.96 -2.65 0.00 0.00 178.83 177.67 3jzp h GLN 69 N 0.45 0.33 -3.19 1.69 4.20 -1.99 -3.41 115.11 113.20 3jzp h GLN 69 Ca 0.11 -0.57 -0.63 0.00 0.06 0.00 0.00 58.65 57.63 3jzp h GLN 69 Cb 0.07 0.21 -0.41 0.00 0.30 0.00 0.00 27.48 27.65 3jzp h GLN 69 CO -0.01 1.27 -0.58 -1.21 -0.67 0.00 0.00 178.83 177.63 3jzp s GLU 70 N -2.55 2.32 0.00 1.46 0.41 -1.21 -4.98 118.70 114.15 3jzp s GLU 70 Ca -0.19 -3.11 0.11 0.00 -0.41 0.00 0.00 54.97 51.38 3jzp s GLU 70 Cb 0.05 -3.40 0.62 0.00 -1.78 0.00 0.00 34.13 29.62 3jzp s GLU 70 CO 0.81 -1.23 1.19 1.04 -0.49 0.00 0.00 175.26 176.58 3jzp n GLN 71 N 2.36 0.26 0.05 1.61 6.02 -1.07 -1.07 117.38 125.53 3jzp n GLN 71 Ca 0.15 0.09 0.13 0.00 -0.01 0.00 0.00 57.00 57.36 3jzp n GLN 71 Cb 0.34 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.42 3jzp n GLN 71 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3jzp n HIS 72 N -1.15 0.41 -3.34 1.08 1.44 -1.26 -4.66 115.22 107.74 3jzp n HIS 72 Ca 0.07 0.12 -0.38 0.00 -2.01 0.00 0.00 57.72 55.52 3jzp n HIS 72 Cb 0.06 -0.60 -0.06 0.00 0.12 0.00 0.00 29.99 29.51 3jzp n HIS 72 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3jzp s MET 73 N -3.09 4.24 -0.15 -1.40 -1.94 -0.23 -0.02 119.30 116.71 3jzp s MET 73 Ca 0.10 0.49 0.01 0.00 -1.71 0.00 0.00 55.69 54.58 3jzp s MET 73 Cb 0.15 -3.37 0.00 0.00 2.01 0.00 0.00 34.83 33.63 3jzp s MET 73 CO 0.66 0.33 -0.18 0.08 -0.01 0.00 0.00 175.02 175.89 3jzp s VAL 74 N 0.05 2.43 -0.27 -6.03 1.01 -0.29 -0.33 120.40 116.97 3jzp s VAL 74 Ca 0.26 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3jzp s VAL 74 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3jzp s VAL 74 CO 0.12 0.53 0.07 -0.31 0.00 0.00 0.00 175.10 175.51 3jzp s TYR 75 N 0.79 3.10 -0.08 5.22 1.51 -0.48 -1.65 117.35 125.77 3jzp s TYR 75 Ca -0.06 -0.65 0.15 0.00 -1.01 0.00 0.00 57.07 55.50 3jzp s TYR 75 Cb -0.15 -2.25 0.32 0.00 -0.11 0.00 0.00 41.96 39.77 3jzp s TYR 75 CO -0.00 -0.45 1.15 0.00 -1.11 0.00 0.00 175.55 175.13 3jzp s GLY 77 N -2.31 1.67 0.00 0.00 0.00 -1.09 -1.55 107.32 104.04 3jzp s GLY 77 Ca 0.28 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3jzp s GLY 77 CO -0.07 2.68 0.00 0.61 0.00 0.00 0.00 173.10 176.32 3jzp n GLY 78 N 3.81 1.27 3.91 0.20 0.00 -1.26 -5.03 105.19 108.08 3jzp n GLY 78 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3jzp n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jzp s ASP 79 N -3.09 6.42 0.50 1.61 2.15 -0.59 -4.97 116.67 118.70 3jzp s ASP 79 Ca 0.00 0.44 0.18 0.00 0.43 0.00 0.00 52.55 53.60 3jzp s ASP 79 Cb 0.00 -2.03 1.24 0.00 -0.30 0.00 0.00 42.92 41.84 3jzp s ASP 79 CO 0.00 0.06 2.08 0.25 -0.17 0.00 0.00 175.17 177.39 3jzp h LEU 80 N 2.69 0.08 -1.27 -1.34 5.85 -1.96 -0.11 115.31 119.24 3jzp h LEU 80 Ca -0.46 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3jzp h LEU 80 Cb 1.17 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3jzp h LEU 80 CO 0.72 0.05 0.24 0.25 -0.34 0.00 0.00 178.44 179.37 3jzp h LEU 81 N 0.09 0.67 -0.79 2.25 5.85 -1.93 -1.63 115.31 119.82 3jzp h LEU 81 Ca 0.11 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3jzp h LEU 81 Cb 0.34 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3jzp h LEU 81 CO -0.01 0.58 -0.34 1.23 -0.34 0.00 0.00 178.44 179.56 3jzp h GLY 82 N 0.86 0.57 0.99 3.75 0.00 -0.98 -1.34 103.07 106.91 3jzp h GLY 82 Ca 0.18 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3jzp h GLY 82 CO -0.02 0.47 0.19 0.83 0.00 0.00 0.00 176.54 178.01 3jzp h GLU 83 N 0.45 0.86 -0.61 4.80 4.39 -1.07 0.11 114.58 123.50 3jzp h GLU 83 Ca 0.05 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 3jzp h GLU 83 Cb 0.80 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3jzp h GLU 83 CO 0.07 0.77 0.05 -0.07 -1.16 0.00 0.00 179.01 178.67 3jzp h LEU 84 N 0.77 1.00 -0.25 1.33 3.38 -1.00 -2.81 115.31 117.72 3jzp h LEU 84 Ca 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3jzp h LEU 84 Cb 0.26 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3jzp h LEU 84 CO -0.01 1.02 -0.05 -0.07 0.09 0.00 0.00 178.44 179.42 3jzp h LEU 85 N 0.96 0.00 1.92 1.67 3.38 -1.05 -3.46 115.31 118.73 3jzp h LEU 85 Ca 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 3jzp h LEU 85 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3jzp h LEU 85 CO 0.02 0.05 -0.35 0.61 0.09 0.00 0.00 178.44 178.86 3jzp n GLY 86 N 0.93 -0.13 3.19 0.83 0.00 0.34 -4.98 105.19 105.37 3jzp n GLY 86 Ca 0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 3jzp n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jzp s ARG 87 N -4.62 0.73 0.25 1.61 0.52 -0.96 -5.03 118.95 111.44 3jzp s ARG 87 Ca 0.00 -0.71 0.20 0.00 -0.52 0.00 0.00 55.73 54.70 3jzp s ARG 87 Cb 0.00 0.30 0.07 0.00 0.52 0.00 0.00 34.95 35.84 3jzp s ARG 87 CO 0.00 -0.22 1.21 0.37 0.02 0.00 0.00 175.30 176.68 3jzp h GLN 88 N 3.28 0.00 -2.87 3.54 4.15 -1.89 -3.41 115.11 117.90 3jzp h GLN 88 Ca -0.33 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.14 3jzp h GLN 88 Cb 1.19 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.79 3jzp h GLN 88 CO 0.50 0.15 0.27 -1.54 -1.93 0.00 0.00 178.83 176.28 3jzp s SER 89 N -5.86 -0.40 0.18 -0.69 1.04 -1.26 -0.74 113.70 105.97 3jzp s SER 89 Ca 0.02 -0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 3jzp s SER 89 Cb 0.08 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.84 3jzp s SER 89 CO 0.76 -1.07 0.46 0.72 0.98 0.00 0.00 173.24 175.09 3jzp s PHE 90 N -3.71 -0.04 -0.11 5.02 -0.12 -0.66 -4.99 117.98 113.37 3jzp s PHE 90 Ca 0.06 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 3jzp s PHE 90 Cb -0.03 0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 3jzp s PHE 90 CO -0.04 -0.85 -0.13 0.45 -0.05 0.00 0.00 175.22 174.60 3jzp s SER 91 N -2.88 4.03 0.54 1.98 0.15 -1.26 -1.14 113.70 115.13 3jzp s SER 91 Ca 0.10 -0.29 0.30 0.00 0.70 0.00 0.00 55.95 56.76 3jzp s SER 91 Cb 0.00 -1.41 1.55 0.00 -1.71 0.00 0.00 66.02 64.45 3jzp s SER 91 CO -0.04 0.21 2.09 0.58 1.20 0.00 0.00 173.24 177.29 3jzp h VAL 92 N 5.12 0.42 0.00 4.45 2.07 -0.82 -2.31 116.25 125.18 3jzp h VAL 92 Ca -0.31 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3jzp h VAL 92 Cb 1.20 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3jzp h VAL 92 CO 0.54 0.09 -0.21 0.11 0.02 0.00 0.00 177.57 178.12 3jzp h LYS 93 N 0.00 0.00 -2.47 1.57 1.57 -1.95 -3.31 116.57 111.99 3jzp h LYS 93 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3jzp h LYS 93 Cb 0.32 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.22 3jzp h LYS 93 CO 0.01 0.21 -0.74 -0.25 -0.57 0.00 0.00 179.45 178.10 3jzp n ASP 94 N -3.39 2.15 0.00 0.86 8.00 -0.87 -4.99 116.55 118.31 3jzp n ASP 94 Ca -0.00 -3.05 0.06 0.00 0.71 0.00 0.00 54.79 52.51 3jzp n ASP 94 Cb 0.41 -0.67 0.32 0.00 -0.02 0.00 0.00 41.12 41.16 3jzp n ASP 94 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3jzp n PRO 95 N 1.64 0.25 -0.26 -0.24 -0.04 -1.23 -4.28 135.00 130.85 3jzp n PRO 95 Ca 0.25 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 3jzp n PRO 95 Cb 0.42 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.58 3jzp n PRO 95 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3jzp h SER 96 N 0.00 0.06 -0.11 3.54 0.02 -1.94 -0.12 113.55 115.01 3jzp h SER 96 Ca 0.00 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3jzp h SER 96 Cb 0.07 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3jzp h SER 96 CO 0.00 -0.03 -0.03 1.55 -1.14 0.00 0.00 176.83 177.18 3jzp h PRO 97 N 0.29 0.34 -0.33 3.45 0.13 -1.95 0.88 132.00 134.81 3jzp h PRO 97 Ca 0.43 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.38 3jzp h PRO 97 Cb 0.75 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3jzp h PRO 97 CO -0.51 0.39 -0.25 1.25 -0.23 0.00 0.00 178.00 178.65 3jzp h LEU 98 N 0.33 0.80 -0.89 1.56 5.85 -1.38 -2.01 115.31 119.56 3jzp h LEU 98 Ca 0.07 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 3jzp h LEU 98 Cb 0.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3jzp h LEU 98 CO 0.01 1.07 -0.42 1.88 -0.34 0.00 0.00 178.44 180.64 3jzp h TYR 99 N 0.53 0.33 -0.57 1.25 0.99 -0.64 -0.92 116.97 117.94 3jzp h TYR 99 Ca 0.06 -0.09 -0.08 0.00 2.00 0.00 0.00 58.73 60.62 3jzp h TYR 99 Cb 0.81 -0.07 -0.02 0.00 1.00 0.00 0.00 36.73 38.45 3jzp h TYR 99 CO 0.07 0.66 0.02 -0.44 -0.00 0.00 0.00 178.16 178.46 3jzp h ASP 100 N 0.23 0.93 -0.38 3.88 3.32 -0.74 -0.52 116.42 123.14 3jzp h ASP 100 Ca 0.02 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3jzp h ASP 100 Cb 0.84 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3jzp h ASP 100 CO 0.07 0.98 0.13 -0.03 -1.72 0.00 0.00 179.24 178.67 3jzp h MET 101 N 0.89 0.59 -0.61 3.56 4.05 -0.91 -2.20 114.93 120.30 3jzp h MET 101 Ca 0.17 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 3jzp h MET 101 Cb 0.50 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 3jzp h MET 101 CO 0.02 0.59 0.18 -0.07 0.23 0.00 0.00 176.91 177.86 3jzp h LEU 102 N 0.47 0.87 -1.19 3.39 3.38 -0.80 -0.70 115.31 120.73 3jzp h LEU 102 Ca 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3jzp h LEU 102 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3jzp h LEU 102 CO -0.01 0.83 0.24 -0.09 0.09 0.00 0.00 178.44 179.51 3jzp h ARG 103 N 0.90 0.81 0.00 1.13 1.12 -0.84 0.15 114.38 117.65 3jzp h ARG 103 Ca 0.20 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 3jzp h ARG 103 Cb 0.28 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.09 3jzp h ARG 103 CO -0.01 0.65 -0.19 0.87 -3.11 0.00 0.00 179.97 178.18 3jzp h LYS 104 N 0.81 0.00 -0.11 0.20 1.57 -0.96 -3.35 116.57 114.73 3jzp h LYS 104 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3jzp h LYS 104 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3jzp h LYS 104 CO -0.02 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.95 3jzp n ASN 105 N -2.57 2.15 -4.15 0.86 3.02 -0.31 -4.93 115.26 109.33 3jzp n ASN 105 Ca 0.04 -1.83 -0.33 0.00 -0.03 0.00 0.00 54.58 52.44 3jzp n ASN 105 Cb 0.48 -0.07 -0.16 0.00 -0.61 0.00 0.00 39.78 39.42 3jzp n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jzp s LEU 106 N -0.86 2.16 -0.08 3.41 1.43 0.45 -0.58 118.68 124.60 3jzp s LEU 106 Ca 0.08 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.36 3jzp s LEU 106 Cb 0.04 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3jzp s LEU 106 CO 0.06 0.03 0.58 -0.69 0.23 0.00 0.00 176.35 176.56 3jzp s VAL 107 N 1.11 5.08 0.49 -1.59 1.01 -0.37 -4.86 120.40 121.27 3jzp s VAL 107 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3jzp s VAL 107 Cb -0.14 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 3jzp s VAL 107 CO -0.08 0.32 0.01 0.35 0.00 0.00 0.00 175.10 175.69 3jzp n THR 108 N 3.51 0.00 1.53 3.92 -2.24 -1.26 -0.85 114.28 118.89 3jzp n THR 108 Ca -0.05 -2.35 0.14 0.00 -2.27 0.00 0.00 64.05 59.53 3jzp n THR 108 Cb 0.51 0.49 0.55 0.00 -2.10 0.00 0.00 70.33 69.79 3jzp n THR 108 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68