#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdz s LEU 2 N 0.00 4.16 0.32 -1.84 1.43 -1.26 -5.05 118.68 116.44 1cdz s LEU 2 Ca 0.00 0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 53.17 1cdz s LEU 2 Cb 0.00 -2.72 -0.10 0.00 0.03 0.00 0.00 46.19 43.40 1cdz s LEU 2 CO 0.00 -0.42 1.32 -2.16 0.23 0.00 0.00 176.35 175.32 1cdz s PRO 3 N 2.47 4.34 -0.51 1.29 0.04 -1.26 -4.97 135.00 136.41 1cdz s PRO 3 Ca 0.23 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.54 1cdz s PRO 3 Cb -0.15 -3.07 0.40 0.00 0.04 0.00 0.00 34.50 31.71 1cdz s PRO 3 CO 0.11 -0.22 1.16 -0.40 0.04 0.00 0.00 177.00 177.70 1cdz n ASP 4 N 0.95 4.93 0.29 6.66 5.68 -1.26 -4.46 116.55 129.34 1cdz n ASP 4 Ca 0.01 -3.72 0.19 0.00 -0.50 0.00 0.00 54.79 50.76 1cdz n ASP 4 Cb 0.42 -0.54 0.83 0.00 -1.14 0.00 0.00 41.12 40.69 1cdz n ASP 4 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1cdz h PHE 5 N 2.71 0.00 -0.25 2.11 -5.15 -1.93 -1.34 116.94 113.09 1cdz h PHE 5 Ca 0.29 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.06 1cdz h PHE 5 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 1cdz h PHE 5 CO 0.86 0.00 0.00 1.19 -2.00 0.00 0.00 178.31 178.36 1cdz n PHE 6 N -3.07 0.43 0.00 6.09 3.01 -0.91 -4.81 117.46 118.20 1cdz n PHE 6 Ca -0.00 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1cdz n PHE 6 Cb 0.24 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1cdz n PHE 6 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1cdz n GLN 7 N 0.27 0.00 -1.43 -1.08 1.13 -0.51 -0.73 117.38 115.03 1cdz n GLN 7 Ca 0.09 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.08 1cdz n GLN 7 Cb 0.29 0.00 0.10 0.00 0.11 0.00 0.00 30.24 30.75 1cdz n GLN 7 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cdz n GLY 8 N -0.00 5.09 3.71 1.08 0.00 -1.26 -4.67 105.19 109.14 1cdz n GLY 8 Ca 0.00 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 1cdz n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cdz s LYS 9 N -3.18 4.16 -0.04 1.61 1.02 0.09 -4.95 119.74 118.46 1cdz s LYS 9 Ca 0.42 -0.19 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 1cdz s LYS 9 Cb 0.38 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1cdz s LYS 9 CO -0.03 0.22 0.39 -1.01 -0.92 0.00 0.00 175.35 174.00 1cdz s HIS 10 N 0.59 3.67 0.32 3.18 3.76 -1.26 -1.34 115.29 124.21 1cdz s HIS 10 Ca 0.09 0.92 0.10 0.00 -0.15 0.00 0.00 55.06 56.02 1cdz s HIS 10 Cb -0.12 -2.31 -0.06 0.00 1.11 0.00 0.00 32.58 31.20 1cdz s HIS 10 CO 0.01 0.54 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.27 1cdz s PHE 11 N -0.69 2.40 -0.14 1.40 0.40 0.72 -1.59 117.98 120.49 1cdz s PHE 11 Ca 0.23 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1cdz s PHE 11 Cb -0.16 -1.28 0.06 0.00 0.51 0.00 0.00 43.02 42.15 1cdz s PHE 11 CO 0.12 0.61 0.30 0.12 0.70 0.00 0.00 175.22 177.07 1cdz s PHE 12 N -2.56 -0.46 -0.35 0.36 5.36 -0.45 -0.48 117.98 119.40 1cdz s PHE 12 Ca 0.32 1.03 -0.19 0.00 -0.96 0.00 0.00 56.93 57.13 1cdz s PHE 12 Cb -0.00 0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1cdz s PHE 12 CO 0.17 -0.33 0.56 -0.51 -1.46 0.00 0.00 175.22 173.65 1cdz s LEU 13 N 1.87 4.31 -0.20 6.12 1.43 -1.26 0.26 118.68 131.22 1cdz s LEU 13 Ca -0.05 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 1cdz s LEU 13 Cb -0.11 -2.67 -0.17 0.00 0.03 0.00 0.00 46.19 43.27 1cdz s LEU 13 CO -0.10 -0.53 0.20 0.22 0.23 0.00 0.00 176.35 176.37 1cdz h TYR 14 N 8.46 0.00 -0.13 0.29 3.20 0.43 -3.47 116.97 125.75 1cdz h TYR 14 Ca -0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1cdz h TYR 14 Cb 1.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1cdz h TYR 14 CO 0.73 1.26 0.00 0.41 -1.64 0.00 0.00 178.16 178.92 1cdz n GLY 15 N 1.47 -0.92 3.24 1.82 0.00 -1.25 -4.95 105.19 104.61 1cdz n GLY 15 Ca -0.27 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1cdz n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cdz s GLU 16 N -0.38 3.00 0.12 1.61 2.02 -1.26 -5.04 118.70 118.77 1cdz s GLU 16 Ca 0.00 -0.87 0.10 0.00 0.02 0.00 0.00 54.97 54.21 1cdz s GLU 16 Cb 0.00 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 1cdz s GLU 16 CO 0.00 -0.36 -0.21 -0.06 0.02 0.00 0.00 175.26 174.66 1cdz s PHE 17 N 1.39 2.46 0.00 1.61 0.40 -1.26 -4.72 117.98 117.86 1cdz s PHE 17 Ca 0.02 -0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1cdz s PHE 17 Cb -0.16 -1.31 -0.00 0.00 0.51 0.00 0.00 43.02 42.06 1cdz s PHE 17 CO -0.03 0.38 0.36 -2.30 0.70 0.00 0.00 175.22 174.32 1cdz n PRO 18 N 0.80 0.01 0.00 0.24 -0.02 -1.26 -4.81 135.00 129.96 1cdz n PRO 18 Ca -0.16 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1cdz n PRO 18 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1cdz n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cdz n GLY 19 N 2.68 0.24 0.13 -1.23 0.00 -1.26 -2.72 105.19 103.03 1cdz n GLY 19 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 46.02 46.59 1cdz n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cdz n ASP 20 N 1.36 0.43 0.00 1.61 5.68 -1.26 -1.53 116.55 122.83 1cdz n ASP 20 Ca 0.00 0.68 -0.12 0.00 -0.50 0.00 0.00 54.79 54.85 1cdz n ASP 20 Cb 0.00 -0.73 -0.09 0.00 -1.14 0.00 0.00 41.12 39.16 1cdz n ASP 20 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1cdz h GLU 21 N 0.00 -0.09 -0.77 0.11 5.08 -1.85 -1.53 114.58 115.53 1cdz h GLU 21 Ca 0.00 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1cdz h GLU 21 Cb 0.08 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.21 1cdz h GLU 21 CO 0.00 0.48 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.25 1cdz h ARG 22 N -0.77 0.02 -0.04 2.33 2.43 -1.56 0.31 114.38 117.10 1cdz h ARG 22 Ca -0.01 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1cdz h ARG 22 Cb 0.61 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 1cdz h ARG 22 CO 0.02 0.01 -0.32 0.00 -1.51 0.00 0.00 179.97 178.17 1cdz h ARG 23 N 0.02 -0.43 -0.47 0.20 2.47 -1.43 0.16 114.38 114.90 1cdz h ARG 23 Ca 0.38 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 59.23 1cdz h ARG 23 Cb 0.62 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 28.95 1cdz h ARG 23 CO -0.77 -0.29 -0.11 0.87 0.56 0.00 0.00 179.97 180.24 1cdz h LYS 24 N -0.45 0.01 0.19 0.04 1.79 0.55 1.18 116.57 119.88 1cdz h LYS 24 Ca 0.07 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1cdz h LYS 24 Cb 0.55 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1cdz h LYS 24 CO -0.29 0.01 -0.20 -0.07 -1.08 0.00 0.00 179.45 177.82 1cdz h LEU 25 N 0.01 -0.54 -0.90 2.94 3.38 0.15 0.97 115.31 121.33 1cdz h LEU 25 Ca 0.23 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.44 1cdz h LEU 25 Cb 0.35 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 1cdz h LEU 25 CO -0.47 -0.26 0.43 0.40 0.09 0.00 0.00 178.44 178.63 1cdz h ILE 26 N -0.39 0.55 0.34 1.22 2.04 -0.09 0.85 117.51 122.02 1cdz h ILE 26 Ca -0.02 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1cdz h ILE 26 Cb 0.34 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1cdz h ILE 26 CO -0.03 0.09 -0.24 -0.09 0.00 0.00 0.00 178.15 177.88 1cdz h ARG 27 N 0.48 -0.53 -0.88 2.37 2.43 0.25 -1.79 114.38 116.70 1cdz h ARG 27 Ca 0.54 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.92 1cdz h ARG 27 Cb 0.97 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 30.54 1cdz h ARG 27 CO -0.48 -0.36 0.46 1.88 -1.51 0.00 0.00 179.97 179.97 1cdz h TYR 28 N -0.56 0.80 0.00 2.20 0.05 0.34 0.49 116.97 120.30 1cdz h TYR 28 Ca -0.05 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1cdz h TYR 28 Cb 0.45 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1cdz h TYR 28 CO -0.05 0.16 0.00 0.28 -1.05 0.00 0.00 178.16 177.50 1cdz n VAL 29 N -4.88 0.00 -0.34 -2.88 0.31 0.27 -1.61 118.33 109.21 1cdz n VAL 29 Ca 0.19 1.29 0.14 0.00 -0.01 0.00 0.00 64.34 65.95 1cdz n VAL 29 Cb 0.49 -2.28 0.36 0.00 -0.91 0.00 0.00 33.84 31.50 1cdz n VAL 29 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1cdz h THR 30 N 0.00 0.70 -0.83 2.52 1.35 -1.17 0.74 112.91 116.21 1cdz h THR 30 Ca 0.00 -0.24 0.15 0.00 -0.55 0.00 0.00 66.41 65.77 1cdz h THR 30 Cb 0.00 -0.06 -0.10 0.00 -1.73 0.00 0.00 68.15 66.26 1cdz h THR 30 CO 0.00 0.13 0.40 0.00 -0.25 0.00 0.00 175.52 175.80 1cdz h ALA 31 N 1.64 1.25 -0.34 6.62 0.00 0.07 0.63 119.26 129.12 1cdz h ALA 31 Ca 0.56 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1cdz h ALA 31 Cb 0.97 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1cdz h ALA 31 CO -0.34 -0.15 0.00 1.19 0.00 0.00 0.00 179.25 179.95 1cdz n PHE 32 N -4.92 0.96 -2.35 0.00 3.72 0.24 -4.80 117.46 110.30 1cdz n PHE 32 Ca 0.17 -0.36 -0.07 0.00 -0.05 0.00 0.00 57.45 57.14 1cdz n PHE 32 Cb 0.46 -0.23 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1cdz n PHE 32 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1cdz n ASN 33 N 0.45 -2.87 -4.87 4.37 5.15 0.22 -2.14 115.26 115.57 1cdz n ASN 33 Ca 0.15 -0.06 -0.30 0.00 -0.60 0.00 0.00 54.58 53.77 1cdz n ASN 33 Cb 0.64 -1.97 -0.01 0.00 -0.53 0.00 0.00 39.78 37.91 1cdz n ASN 33 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1cdz s GLY 34 N -2.82 1.77 -0.10 8.20 0.00 -0.13 -3.72 107.32 110.52 1cdz s GLY 34 Ca 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 44.72 44.57 1cdz s GLY 34 CO 0.07 0.09 0.14 1.85 0.00 0.00 0.00 173.10 175.25 1cdz s GLU 35 N -4.57 3.42 -0.11 2.90 2.56 -0.45 -4.09 118.70 118.35 1cdz s GLU 35 Ca 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 54.97 55.34 1cdz s GLU 35 Cb -0.10 -3.16 0.02 0.00 2.00 0.00 0.00 34.13 32.89 1cdz s GLU 35 CO 0.42 0.76 -0.11 -1.17 -0.56 0.00 0.00 175.26 174.60 1cdz s LEU 36 N -1.17 1.45 0.14 2.70 0.20 -1.26 -0.20 118.68 120.55 1cdz s LEU 36 Ca 0.17 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.58 1cdz s LEU 36 Cb -0.12 -0.96 -0.05 0.00 -0.43 0.00 0.00 46.19 44.62 1cdz s LEU 36 CO 0.06 -0.06 0.37 -1.61 -0.29 0.00 0.00 176.35 174.82 1cdz s GLU 37 N 1.40 3.60 0.00 1.98 0.41 0.37 -4.91 118.70 121.55 1cdz s GLU 37 Ca 0.01 -0.13 0.20 0.00 -0.41 0.00 0.00 54.97 54.64 1cdz s GLU 37 Cb -0.13 -2.86 0.25 0.00 -1.78 0.00 0.00 34.13 29.61 1cdz s GLU 37 CO -0.06 0.47 1.22 -0.25 -0.49 0.00 0.00 175.26 176.15 1cdz n ASP 38 N 0.03 2.93 -3.60 -0.19 8.00 -1.26 -4.61 116.55 117.84 1cdz n ASP 38 Ca -0.03 -1.89 -0.10 0.00 0.71 0.00 0.00 54.79 53.48 1cdz n ASP 38 Cb 0.52 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 1cdz n ASP 38 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1cdz s TYR 39 N -1.56 -0.41 0.01 1.24 1.13 -1.26 -5.12 117.35 111.38 1cdz s TYR 39 Ca 0.28 0.82 -0.30 0.00 -1.41 0.00 0.00 57.07 56.46 1cdz s TYR 39 Cb 0.18 0.42 -0.07 0.00 -1.10 0.00 0.00 41.96 41.39 1cdz s TYR 39 CO 0.26 -0.31 1.75 1.41 -2.51 0.00 0.00 175.55 176.16 1cdz s MET 40 N -0.64 4.17 0.20 -3.49 -2.45 -1.26 -4.93 119.30 110.90 1cdz s MET 40 Ca -0.00 2.36 -0.22 0.00 -1.25 0.00 0.00 55.69 56.58 1cdz s MET 40 Cb -0.02 -3.93 0.05 0.00 1.25 0.00 0.00 34.83 32.18 1cdz s MET 40 CO -0.01 -0.85 0.63 -1.54 1.05 0.00 0.00 175.02 174.30 1cdz s SER 41 N 3.43 -0.46 0.61 1.11 1.04 -1.26 -5.04 113.70 113.12 1cdz s SER 41 Ca 0.78 -0.21 0.25 0.00 0.48 0.00 0.00 55.95 57.26 1cdz s SER 41 Cb -0.38 0.64 1.06 0.00 0.10 0.00 0.00 66.02 67.43 1cdz s SER 41 CO 0.34 -1.09 1.49 0.44 0.98 0.00 0.00 173.24 175.41 1cdz h ASP 42 N 2.01 0.00 0.41 7.02 3.32 -1.95 0.75 116.42 127.98 1cdz h ASP 42 Ca -0.29 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1cdz h ASP 42 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1cdz h ASP 42 CO 0.34 0.00 -0.18 0.03 -1.72 0.00 0.00 179.24 177.71 1cdz h ARG 43 N 0.00 0.00 -6.76 3.56 3.08 -1.96 -3.44 114.38 108.85 1cdz h ARG 43 Ca 0.34 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.86 1cdz h ARG 43 Cb 2.19 0.00 0.06 0.00 0.08 0.00 0.00 29.97 32.30 1cdz h ARG 43 CO -0.00 0.18 0.75 0.08 -1.07 0.00 0.00 179.97 179.90 1cdz s VAL 44 N -4.18 2.65 0.00 2.04 1.01 0.25 -4.42 120.40 117.76 1cdz s VAL 44 Ca -0.03 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1cdz s VAL 44 Cb 0.13 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1cdz s VAL 44 CO 0.62 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.82 1cdz n GLN 45 N 2.16 1.86 -3.81 2.72 6.02 -0.67 -4.67 117.38 120.99 1cdz n GLN 45 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.88 1cdz n GLN 45 Cb 0.40 -0.96 -0.17 0.00 1.02 0.00 0.00 30.24 30.54 1cdz n GLN 45 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1cdz s PHE 46 N -1.87 0.19 -0.29 1.08 0.40 -0.62 -1.34 117.98 115.53 1cdz s PHE 46 Ca 0.00 0.09 -0.10 0.00 -0.60 0.00 0.00 56.93 56.31 1cdz s PHE 46 Cb 0.00 -0.39 -0.03 0.00 0.51 0.00 0.00 43.02 43.11 1cdz s PHE 46 CO 0.00 -0.14 0.16 0.08 0.70 0.00 0.00 175.22 176.02 1cdz s VAL 47 N 1.34 4.88 -0.17 -0.44 1.01 0.60 -1.34 120.40 126.28 1cdz s VAL 47 Ca -0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1cdz s VAL 47 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1cdz s VAL 47 CO -0.03 0.16 0.43 -0.63 0.00 0.00 0.00 175.10 175.04 1cdz s ILE 48 N 1.68 5.19 -0.09 2.22 -1.09 0.74 -1.38 121.20 128.46 1cdz s ILE 48 Ca 0.06 0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 59.21 1cdz s ILE 48 Cb -0.16 -3.76 0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1cdz s ILE 48 CO 0.08 0.27 0.24 0.28 -1.23 0.00 0.00 174.94 174.58 1cdz s THR 49 N 1.10 -0.02 -0.06 2.92 -1.32 -0.02 0.11 115.64 118.35 1cdz s THR 49 Ca 0.22 0.06 0.13 0.00 -1.21 0.00 0.00 61.69 60.89 1cdz s THR 49 Cb -0.15 -0.35 -0.23 0.00 -1.51 0.00 0.00 72.50 70.26 1cdz s THR 49 CO 0.08 0.03 0.60 0.00 -2.21 0.00 0.00 174.62 173.12 1cdz n ALA 50 N 3.48 1.51 -0.98 11.08 0.00 -1.26 -3.95 120.51 130.38 1cdz n ALA 50 Ca -0.18 -0.83 -0.01 0.00 0.00 0.00 0.00 53.44 52.43 1cdz n ALA 50 Cb 0.56 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 19.25 1cdz n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1cdz n GLN 51 N -3.01 -1.71 -3.92 0.00 6.02 -1.26 -5.06 117.38 108.45 1cdz n GLN 51 Ca -0.19 -0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.53 1cdz n GLN 51 Cb 1.06 -0.07 -0.05 0.00 1.02 0.00 0.00 30.24 32.21 1cdz n GLN 51 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1cdz s GLU 52 N -3.08 2.60 0.05 -1.09 0.41 -1.26 -5.04 118.70 111.29 1cdz s GLU 52 Ca 0.03 -1.38 -0.37 0.00 -0.41 0.00 0.00 54.97 52.83 1cdz s GLU 52 Cb -0.00 -2.37 -0.19 0.00 -1.78 0.00 0.00 34.13 29.79 1cdz s GLU 52 CO 0.02 0.10 1.04 1.87 -0.49 0.00 0.00 175.26 177.80 1cdz n TRP 53 N -1.29 0.64 -4.90 1.61 -0.00 -1.26 -4.97 117.44 107.27 1cdz n TRP 53 Ca -0.02 0.97 -0.26 0.00 -0.00 0.00 0.00 57.50 58.18 1cdz n TRP 53 Cb 0.60 -2.12 -0.16 0.00 -0.00 0.00 0.00 31.31 29.64 1cdz n TRP 53 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1cdz s ASP 54 N -0.08 2.24 0.50 5.87 -1.08 -1.26 -5.00 116.67 117.87 1cdz s ASP 54 Ca 0.85 -0.36 0.37 0.00 -0.52 0.00 0.00 52.55 52.89 1cdz s ASP 54 Cb -1.15 -0.47 1.53 0.00 -1.46 0.00 0.00 42.92 41.36 1cdz s ASP 54 CO 0.55 0.19 1.68 -0.65 0.52 0.00 0.00 175.17 177.47 1cdz h PRO 55 N 6.01 0.06 -0.68 4.34 0.11 -2.02 0.69 132.00 140.51 1cdz h PRO 55 Ca -0.35 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.88 1cdz h PRO 55 Cb 1.16 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 1cdz h PRO 55 CO 0.48 0.04 0.25 0.77 -0.21 0.00 0.00 178.00 179.33 1cdz h SER 56 N 0.07 0.22 -0.22 -2.05 0.02 -2.00 -1.87 113.55 107.72 1cdz h SER 56 Ca 0.75 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.85 1cdz h SER 56 Cb 2.73 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 65.28 1cdz h SER 56 CO -0.15 0.11 -0.35 -0.26 -1.14 0.00 0.00 176.83 175.04 1cdz h PHE 57 N 0.41 -0.97 -0.28 3.45 0.04 -0.01 -0.63 116.94 118.94 1cdz h PHE 57 Ca 0.36 0.05 0.04 0.00 2.80 0.00 0.00 57.97 61.22 1cdz h PHE 57 Cb 0.51 0.46 -0.07 0.00 2.20 0.00 0.00 35.95 39.04 1cdz h PHE 57 CO -0.18 -0.41 -0.55 0.93 -0.60 0.00 0.00 178.31 177.50 1cdz h GLU 58 N -0.37 -0.46 -0.24 1.51 5.08 -1.43 1.70 114.58 120.37 1cdz h GLU 58 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1cdz h GLU 58 Cb 0.56 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1cdz h GLU 58 CO -0.42 -0.31 0.15 1.05 -1.00 0.00 0.00 179.01 178.48 1cdz h GLU 59 N -0.48 0.32 -0.24 2.33 4.11 -1.38 1.09 114.58 120.32 1cdz h GLU 59 Ca 0.05 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.31 1cdz h GLU 59 Cb 0.63 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1cdz h GLU 59 CO -0.52 0.21 -0.48 0.00 0.07 0.00 0.00 179.01 178.29 1cdz h ALA 60 N 1.84 0.71 -0.10 1.06 0.00 0.83 -2.99 119.26 120.61 1cdz h ALA 60 Ca 0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1cdz h ALA 60 Cb -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1cdz h ALA 60 CO -0.02 0.67 -0.02 1.25 0.00 0.00 0.00 179.25 181.14 1cdz h LEU 61 N 0.51 0.19 -4.43 0.00 5.85 0.74 -1.58 115.31 116.60 1cdz h LEU 61 Ca 0.03 -0.35 -0.39 0.00 0.84 0.00 0.00 57.88 58.01 1cdz h LEU 61 Cb 1.03 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 1cdz h LEU 61 CO 0.10 0.49 0.64 1.15 -0.34 0.00 0.00 178.44 180.48 1cdz n MET 62 N -4.78 2.56 0.00 1.25 0.00 0.32 -1.43 117.12 115.04 1cdz n MET 62 Ca -0.06 -1.75 0.00 0.00 0.00 0.00 0.00 57.70 55.88 1cdz n MET 62 Cb 0.22 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.24 1cdz n MET 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1cdz n ASP 63 N 2.11 0.00 -2.88 3.17 -0.08 -1.18 -4.95 116.55 112.75 1cdz n ASP 63 Ca 0.51 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.77 1cdz n ASP 63 Cb 0.66 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.13 1cdz n ASP 63 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1cdz s ASN 64 N -0.27 -1.43 0.52 1.67 3.04 -0.52 -5.02 114.94 112.92 1cdz s ASN 64 Ca 0.00 -1.43 0.19 0.00 0.04 0.00 0.00 52.86 51.66 1cdz s ASN 64 Cb 0.00 1.87 1.29 0.00 -1.54 0.00 0.00 41.25 42.87 1cdz s ASN 64 CO 0.00 -0.08 2.08 1.55 -3.04 0.00 0.00 177.10 177.60 1cdz h PRO 65 N 5.52 0.04 0.00 0.43 0.13 -1.59 -3.20 132.00 133.34 1cdz h PRO 65 Ca 0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1cdz h PRO 65 Cb 1.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1cdz h PRO 65 CO 0.03 0.03 0.11 0.66 -0.23 0.00 0.00 178.00 178.60 1cdz h SER 66 N 0.04 0.00 -1.26 1.44 4.64 -1.94 -3.46 113.55 113.02 1cdz h SER 66 Ca 0.12 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.78 1cdz h SER 66 Cb 0.43 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.63 1cdz h SER 66 CO -0.01 0.00 -0.41 0.18 -0.87 0.00 0.00 176.83 175.72 1cdz n LEU 67 N -2.90 -0.71 -4.36 5.97 4.77 -1.21 -4.93 117.00 113.63 1cdz n LEU 67 Ca -0.02 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.80 1cdz n LEU 67 Cb 0.17 -1.01 -0.14 0.00 -2.33 0.00 0.00 43.42 40.11 1cdz n LEU 67 CO 0.16 -2.71 -0.57 0.00 -1.33 0.00 0.00 177.39 172.95 1cdz s ALA 68 N -1.01 2.28 -0.37 -1.18 0.00 -0.45 -4.99 121.76 116.04 1cdz s ALA 68 Ca 0.63 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1cdz s ALA 68 Cb -0.89 -0.43 0.11 0.00 0.00 0.00 0.00 23.12 21.91 1cdz s ALA 68 CO 0.57 0.53 0.14 -0.06 0.00 0.00 0.00 175.76 176.94 1cdz s PHE 69 N -0.90 2.33 0.14 0.00 0.40 -1.26 -0.29 117.98 118.40 1cdz s PHE 69 Ca 0.12 -2.32 0.07 0.00 -0.60 0.00 0.00 56.93 54.20 1cdz s PHE 69 Cb -0.10 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 1cdz s PHE 69 CO 0.03 -0.85 -0.01 0.08 0.70 0.00 0.00 175.22 175.17 1cdz s VAL 70 N 0.93 3.74 -0.05 -0.44 1.01 -0.48 -0.18 120.40 124.93 1cdz s VAL 70 Ca 0.13 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1cdz s VAL 70 Cb -0.21 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1cdz s VAL 70 CO -0.12 -0.03 0.21 0.00 0.00 0.00 0.00 175.10 175.16 1cdz s ARG 71 N -2.69 3.51 0.16 2.72 1.70 -0.54 -0.84 118.95 122.96 1cdz s ARG 71 Ca 0.26 -0.12 0.03 0.00 -0.47 0.00 0.00 55.73 55.43 1cdz s ARG 71 Cb -0.10 -3.14 0.44 0.00 -0.57 0.00 0.00 34.95 31.58 1cdz s ARG 71 CO 0.18 0.71 0.75 -0.35 -1.08 0.00 0.00 175.30 175.51 1cdz n PRO 72 N 1.48 -0.04 -0.62 3.89 -0.04 -1.26 -0.64 135.00 137.77 1cdz n PRO 72 Ca -0.15 0.70 0.49 0.00 -0.04 0.00 0.00 63.50 64.50 1cdz n PRO 72 Cb 0.54 -1.15 0.79 0.00 -0.04 0.00 0.00 33.50 33.64 1cdz n PRO 72 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1cdz h ARG 73 N 0.00 0.01 0.62 0.54 9.65 -1.93 0.62 114.38 123.89 1cdz h ARG 73 Ca 0.32 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.17 1cdz h ARG 73 Cb 0.72 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.30 1cdz h ARG 73 CO -0.43 0.01 -0.30 2.35 2.80 0.00 0.00 179.97 184.40 1cdz h TRP 74 N 0.01 -0.77 -1.06 2.20 7.01 -1.21 -0.82 115.95 121.30 1cdz h TRP 74 Ca 0.88 -0.02 0.29 0.00 2.11 0.00 0.00 58.89 62.14 1cdz h TRP 74 Cb 3.42 0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 30.66 1cdz h TRP 74 CO -0.00 -0.48 0.72 0.82 -2.79 0.00 0.00 178.44 176.70 1cdz h ILE 75 N -0.93 0.50 0.00 2.65 2.04 0.06 0.24 117.51 122.06 1cdz h ILE 75 Ca -0.09 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1cdz h ILE 75 Cb 0.64 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1cdz h ILE 75 CO 0.14 0.04 0.00 -1.22 0.00 0.00 0.00 178.15 177.11 1cdz n TYR 76 N -4.46 0.00 -0.55 1.37 4.01 -0.99 -2.90 117.16 113.65 1cdz n TYR 76 Ca 0.24 0.00 0.42 0.00 -0.16 0.00 0.00 57.90 58.41 1cdz n TYR 76 Cb 0.99 -0.02 0.67 0.00 -0.31 0.00 0.00 39.34 40.66 1cdz n TYR 76 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1cdz n SER 77 N -0.56 0.06 0.34 7.72 3.41 -0.34 0.24 113.62 124.48 1cdz n SER 77 Ca 0.00 0.95 -0.18 0.00 -0.26 0.00 0.00 58.87 59.39 1cdz n SER 77 Cb 0.00 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 1cdz n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cdz h ASN 79 N -0.90 0.11 0.00 0.00 -0.73 0.31 0.84 115.58 115.21 1cdz h ASN 79 Ca -0.07 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 57.93 1cdz h ASN 79 Cb 0.73 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.29 1cdz h ASN 79 CO 0.08 0.25 0.04 1.21 -0.37 0.00 0.00 177.43 178.64 1cdz n GLU 80 N -4.94 0.00 0.00 6.67 0.00 0.11 0.34 120.64 122.82 1cdz n GLU 80 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1cdz n GLU 80 Cb 0.11 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1cdz n GLU 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1cdz n LYS 81 N -0.91 3.31 -3.35 5.31 4.01 -0.85 -4.99 118.16 120.70 1cdz n LYS 81 Ca 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.63 1cdz n LYS 81 Cb 0.04 -0.39 0.07 0.00 -0.51 0.00 0.00 35.03 34.24 1cdz n LYS 81 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1cdz n GLN 82 N -0.28 -3.46 -3.58 1.97 1.13 0.15 -5.01 117.38 108.31 1cdz n GLN 82 Ca 0.00 0.82 -0.13 0.00 -1.94 0.00 0.00 57.00 55.76 1cdz n GLN 82 Cb 0.00 -5.69 -0.06 0.00 0.11 0.00 0.00 30.24 24.60 1cdz n GLN 82 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1cdz s LYS 83 N -4.84 0.73 -0.29 -1.09 2.47 -0.68 -5.04 119.74 111.01 1cdz s LYS 83 Ca 0.32 0.34 -0.29 0.00 -1.56 0.00 0.00 55.97 54.78 1cdz s LYS 83 Cb -0.05 0.35 -0.01 0.00 -1.46 0.00 0.00 37.83 36.66 1cdz s LYS 83 CO 0.75 -0.19 1.45 -1.17 0.16 0.00 0.00 175.35 176.35 1cdz s LEU 84 N -0.74 3.81 0.01 5.43 0.20 -1.26 -4.51 118.68 121.62 1cdz s LEU 84 Ca -0.03 1.28 -0.04 0.00 0.69 0.00 0.00 54.13 56.04 1cdz s LEU 84 Cb -0.02 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.16 1cdz s LEU 84 CO 0.02 -1.23 0.22 -0.76 -0.29 0.00 0.00 176.35 174.31 1cdz s LEU 85 N 4.97 4.36 -0.02 -0.68 1.43 -1.26 -5.03 118.68 122.46 1cdz s LEU 85 Ca 0.63 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.85 1cdz s LEU 85 Cb -0.19 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 1cdz s LEU 85 CO 0.27 0.24 1.81 -2.84 0.23 0.00 0.00 176.35 176.06 1cdz s PRO 86 N -1.99 4.15 0.62 1.29 0.02 -1.26 -4.80 135.00 133.03 1cdz s PRO 86 Ca 0.29 2.38 0.34 0.00 0.02 0.00 0.00 61.00 64.03 1cdz s PRO 86 Cb -0.13 -4.07 1.94 0.00 0.02 0.00 0.00 34.50 32.26 1cdz s PRO 86 CO 0.19 -0.92 2.22 1.12 -0.33 0.00 0.00 177.00 179.28 1cdz h HIS 87 N 10.11 0.00 -0.97 6.54 2.07 -1.95 -2.43 115.15 128.51 1cdz h HIS 87 Ca -0.44 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.32 1cdz h HIS 87 Cb 1.21 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 31.06 1cdz h HIS 87 CO 0.92 0.00 0.54 1.96 -3.07 0.00 0.00 177.93 178.28 1cdz h GLN 88 N 0.00 0.50 0.00 5.12 7.50 -1.97 0.45 115.11 126.70 1cdz h GLN 88 Ca 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1cdz h GLN 88 Cb 0.20 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.61 1cdz h GLN 88 CO -0.00 0.33 -0.07 -0.07 -1.50 0.00 0.00 178.83 177.52 1cdz h LEU 89 N 0.51 0.00 -4.41 1.46 4.07 -1.82 -2.28 115.31 112.85 1cdz h LEU 89 Ca 0.63 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.97 1cdz h LEU 89 Cb 1.22 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 42.57 1cdz h LEU 89 CO -0.50 0.07 -0.34 -1.22 -1.08 0.00 0.00 178.44 175.36 1cdz n TYR 90 N -3.68 3.19 -2.50 1.13 4.01 0.16 -5.05 117.16 114.41 1cdz n TYR 90 Ca -0.02 -2.79 -0.24 0.00 -0.16 0.00 0.00 57.90 54.68 1cdz n TYR 90 Cb 0.17 -0.41 0.04 0.00 -0.31 0.00 0.00 39.34 38.83 1cdz n TYR 90 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cdz s GLY 91 N -3.03 1.68 -0.21 2.72 0.00 -0.86 -1.47 107.32 106.15 1cdz s GLY 91 Ca 0.50 -0.99 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 1cdz s GLY 91 CO -0.17 -0.69 -0.03 0.14 0.00 0.00 0.00 173.10 172.35 1cdz s VAL 92 N -2.93 1.17 0.14 1.40 1.01 0.75 -4.74 120.40 117.19 1cdz s VAL 92 Ca 0.56 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.74 1cdz s VAL 92 Cb -0.10 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1cdz s VAL 92 CO 0.42 -0.07 -0.26 0.68 0.00 0.00 0.00 175.10 175.87 1cdz s VAL 93 N 1.57 2.21 0.33 2.92 -7.23 -1.26 -4.69 120.40 114.25 1cdz s VAL 93 Ca -0.03 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1cdz s VAL 93 Cb -0.17 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.69 1cdz s VAL 93 CO -0.07 0.04 1.29 -2.16 -0.31 0.00 0.00 175.10 173.89 1cdz s PRO 94 N -2.14 4.37 -0.49 4.82 0.04 -1.26 -4.68 135.00 135.65 1cdz s PRO 94 Ca 0.14 2.19 -0.24 0.00 0.04 0.00 0.00 61.00 63.13 1cdz s PRO 94 Cb -0.10 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1cdz s PRO 94 CO 0.06 -0.16 0.88 -1.14 0.04 0.00 0.00 177.00 176.68 1cdz s GLN 95 N -1.75 3.40 0.00 4.56 0.74 -1.26 -5.09 119.66 120.26 1cdz s GLN 95 Ca 0.49 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.78 1cdz s GLN 95 Cb -0.39 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 29.73 1cdz s GLN 95 CO 0.52 -1.29 0.00 0.00 -0.55 0.00 0.00 175.29 173.97