#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 s PHE 2 N 0.00 3.59 -0.11 1.12 0.08 -0.54 -2.27 117.98 119.85 1de1 s PHE 2 Ca 0.00 1.48 0.02 0.00 0.12 0.00 0.00 56.93 58.55 1de1 s PHE 2 Cb 0.00 -2.70 0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1de1 s PHE 2 CO 0.00 0.23 -0.17 0.15 -0.10 0.00 0.00 175.22 175.33 1de1 s LYS 3 N -2.25 2.41 -0.11 0.44 3.01 -0.38 -1.32 119.74 121.54 1de1 s LYS 3 Ca 0.48 -0.64 0.01 0.00 -1.01 0.00 0.00 55.97 54.81 1de1 s LYS 3 Cb -0.15 -1.98 -0.02 0.00 -1.01 0.00 0.00 37.83 34.66 1de1 s LYS 3 CO 0.20 -0.01 -0.13 0.08 0.51 0.00 0.00 175.35 176.00 1de1 s VAL 4 N 0.83 3.06 -0.44 3.17 1.01 -1.10 0.84 120.40 127.76 1de1 s VAL 4 Ca -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1de1 s VAL 4 Cb -0.16 -2.26 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1de1 s VAL 4 CO 0.00 0.54 0.27 -0.31 0.00 0.00 0.00 175.10 175.61 1de1 s TYR 5 N 0.07 3.52 0.00 5.22 2.02 0.41 -1.48 117.35 127.12 1de1 s TYR 5 Ca -0.05 -2.21 0.00 0.00 -0.37 0.00 0.00 57.07 54.43 1de1 s TYR 5 Cb -0.15 -3.34 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 1de1 s TYR 5 CO 0.04 -0.98 0.00 0.41 -1.57 0.00 0.00 175.55 173.46 1de1 n GLY 6 N 4.68 3.58 3.27 0.71 0.00 -1.04 -0.23 105.19 116.16 1de1 n GLY 6 Ca -0.04 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 1de1 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de1 s TYR 7 N -0.43 1.72 0.00 1.61 2.02 -1.26 -1.70 117.35 119.31 1de1 s TYR 7 Ca 0.00 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1de1 s TYR 7 Cb 0.00 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 1de1 s TYR 7 CO 0.00 0.19 0.50 -3.47 -1.57 0.00 0.00 175.55 171.20 1de1 n ASP 8 N 1.09 0.00 0.00 2.29 2.03 -1.26 -4.70 116.55 115.99 1de1 n ASP 8 Ca -0.20 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1de1 n ASP 8 Cb 0.54 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1de1 n SER 9 N -1.29 0.00 0.14 1.67 2.88 -1.22 -4.63 113.62 111.17 1de1 n SER 9 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1de1 n SER 9 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de1 h ASN 10 N 0.00 0.00 0.09 -3.46 2.35 -1.99 -3.35 115.58 109.23 1de1 h ASN 10 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1de1 h ASN 10 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1de1 h ASN 10 CO 0.00 0.44 -1.91 -0.38 -1.65 0.00 0.00 177.43 173.93 1de1 n ILE 11 N -3.17 1.71 -3.60 2.81 -0.00 -1.26 -5.01 119.36 110.85 1de1 n ILE 11 Ca 0.01 -0.53 -0.14 0.00 -0.00 0.00 0.00 62.75 62.09 1de1 n ILE 11 Cb 0.72 -1.78 -0.06 0.00 -0.00 0.00 0.00 39.64 38.52 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de1 s HIS 12 N -2.52 -0.42 0.49 1.39 2.46 -1.26 -4.99 115.29 110.44 1de1 s HIS 12 Ca -0.25 0.54 -0.23 0.00 0.47 0.00 0.00 55.06 55.59 1de1 s HIS 12 Cb 0.07 0.31 -0.08 0.00 -0.13 0.00 0.00 32.58 32.75 1de1 s HIS 12 CO 0.72 -0.60 1.13 1.17 -2.47 0.00 0.00 174.74 174.69 1de1 n LYS 13 N 0.62 1.46 -2.72 2.88 4.81 -1.26 -3.44 118.16 120.51 1de1 n LYS 13 Ca -0.19 0.53 -0.05 0.00 -0.87 0.00 0.00 58.31 57.73 1de1 n LYS 13 Cb 0.59 -2.26 0.04 0.00 0.02 0.00 0.00 35.03 33.42 1de1 n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1de1 n VAL 15 N 2.26 0.63 0.14 0.00 0.24 -1.26 -3.78 118.33 116.56 1de1 n VAL 15 Ca 0.11 -0.56 0.01 0.00 -2.04 0.00 0.00 64.34 61.86 1de1 n VAL 15 Cb 0.63 -0.35 0.14 0.00 -1.47 0.00 0.00 33.84 32.79 1de1 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de1 h TYR 16 N 0.00 0.00 0.23 6.34 0.05 -1.96 -3.26 116.97 118.36 1de1 h TYR 16 Ca -0.01 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.46 1de1 h TYR 16 Cb 1.04 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.81 1de1 h TYR 16 CO 0.00 0.58 -1.34 0.00 -1.05 0.00 0.00 178.16 176.35 1de1 h ASP 18 N 0.05 0.52 -0.02 0.00 5.19 -1.65 0.40 116.42 120.92 1de1 h ASP 18 Ca -0.23 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1de1 h ASP 18 Cb 2.06 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.62 1de1 h ASP 18 CO 0.25 0.14 -0.05 0.78 -3.12 0.00 0.00 179.24 177.23 1de1 h ASN 19 N 0.56 0.07 -0.87 6.45 2.35 -1.64 -2.99 115.58 119.51 1de1 h ASN 19 Ca 0.54 -0.64 0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1de1 h ASN 19 Cb 0.92 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.19 1de1 h ASN 19 CO -0.44 0.70 0.52 0.00 -1.65 0.00 0.00 177.43 176.56 1de1 h ALA 20 N 0.38 1.26 0.11 -0.83 0.00 -1.08 -0.75 119.26 118.35 1de1 h ALA 20 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1de1 h ALA 20 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1de1 h ALA 20 CO 0.01 0.15 -0.14 -0.22 0.00 0.00 0.00 179.25 179.06 1de1 h LYS 21 N 0.87 -0.28 -0.70 0.00 3.64 -0.29 -0.95 116.57 118.86 1de1 h LYS 21 Ca 0.42 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.85 1de1 h LYS 21 Cb 0.37 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1de1 h LYS 21 CO -0.24 -0.19 0.46 -0.09 -2.27 0.00 0.00 179.45 177.12 1de1 h ARG 22 N -0.29 0.84 0.48 1.90 9.65 -1.25 -1.84 114.38 123.86 1de1 h ARG 22 Ca 0.01 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1de1 h ARG 22 Cb 0.29 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1de1 h ARG 22 CO -0.06 0.55 -0.23 1.25 2.80 0.00 0.00 179.97 184.29 1de1 h LEU 23 N 0.86 -0.55 -0.59 3.80 6.46 -0.48 -1.58 115.31 123.24 1de1 h LEU 23 Ca 0.27 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.12 1de1 h LEU 23 Cb 0.03 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 1de1 h LEU 23 CO -0.07 -0.38 0.24 -0.07 -0.62 0.00 0.00 178.44 177.54 1de1 h LEU 24 N -0.67 0.28 -1.45 2.25 3.38 -0.83 0.66 115.31 118.94 1de1 h LEU 24 Ca -0.07 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1de1 h LEU 24 Cb 0.51 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1de1 h LEU 24 CO 0.11 0.17 0.46 0.74 0.09 0.00 0.00 178.44 180.02 1de1 h THR 25 N 0.45 0.96 0.00 0.22 2.02 -1.16 0.10 112.91 115.50 1de1 h THR 25 Ca 0.29 -0.22 -0.21 0.00 0.77 0.00 0.00 66.41 67.04 1de1 h THR 25 Cb 0.31 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1de1 h THR 25 CO -0.27 0.12 -0.99 0.58 0.37 0.00 0.00 175.52 175.34 1de1 h VAL 26 N 0.64 1.70 0.00 3.16 2.07 0.13 -3.17 116.25 120.79 1de1 h VAL 26 Ca 0.32 -3.39 0.00 0.00 0.82 0.00 0.00 66.70 64.44 1de1 h VAL 26 Cb 0.39 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1de1 h VAL 26 CO -0.11 0.97 0.00 0.29 0.02 0.00 0.00 177.57 178.74 1de1 n LYS 27 N -3.35 0.09 -2.66 1.57 4.01 0.21 -4.94 118.16 113.10 1de1 n LYS 27 Ca 0.00 0.14 -0.09 0.00 -0.51 0.00 0.00 58.31 57.84 1de1 n LYS 27 Cb 0.93 -1.62 0.05 0.00 -0.51 0.00 0.00 35.03 33.88 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1de1 n LYS 28 N -1.78 -2.24 -4.24 1.97 4.76 0.15 -5.05 118.16 111.73 1de1 n LYS 28 Ca 0.06 0.52 -0.18 0.00 -2.87 0.00 0.00 58.31 55.83 1de1 n LYS 28 Cb 0.33 -4.25 -0.15 0.00 -1.84 0.00 0.00 35.03 29.11 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de1 s GLN 29 N -4.17 0.70 0.09 1.97 -1.52 -1.07 -5.06 119.66 110.59 1de1 s GLN 29 Ca 0.18 -0.20 -0.30 0.00 -1.95 0.00 0.00 55.36 53.09 1de1 s GLN 29 Cb -0.02 -0.68 -0.05 0.00 -0.22 0.00 0.00 33.01 32.03 1de1 s GLN 29 CO 0.44 0.06 1.05 -1.25 -0.25 0.00 0.00 175.29 175.34 1de1 s PRO 30 N 0.26 4.58 0.26 2.91 0.04 -1.26 -4.63 135.00 137.17 1de1 s PRO 30 Ca -0.03 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 1de1 s PRO 30 Cb -0.08 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1de1 s PRO 30 CO 0.00 0.02 0.60 -0.59 0.04 0.00 0.00 177.00 177.07 1de1 s PHE 31 N 0.42 0.07 -0.11 0.56 -0.71 -1.26 -1.47 117.98 115.48 1de1 s PHE 31 Ca 0.51 -0.48 -0.10 0.00 -1.04 0.00 0.00 56.93 55.83 1de1 s PHE 31 Cb -0.25 0.46 0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1de1 s PHE 31 CO 0.30 -1.11 0.29 -2.00 -1.34 0.00 0.00 175.22 171.37 1de1 s GLU 32 N -3.96 0.34 0.27 1.99 2.56 -0.43 -4.88 118.70 114.57 1de1 s GLU 32 Ca 0.16 0.43 -0.10 0.00 0.00 0.00 0.00 54.97 55.46 1de1 s GLU 32 Cb -0.03 0.14 -0.07 0.00 2.00 0.00 0.00 34.13 36.17 1de1 s GLU 32 CO 0.08 -0.05 0.60 0.12 -0.56 0.00 0.00 175.26 175.44 1de1 s PHE 33 N 0.26 3.43 -0.05 5.30 5.36 -1.26 -2.72 117.98 128.30 1de1 s PHE 33 Ca -0.01 0.91 -0.02 0.00 -0.96 0.00 0.00 56.93 56.85 1de1 s PHE 33 Cb -0.03 -2.30 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1de1 s PHE 33 CO -0.01 0.20 0.08 0.42 -1.46 0.00 0.00 175.22 174.46 1de1 s ILE 34 N -1.92 -0.13 -0.47 3.12 1.01 -0.55 -4.92 121.20 117.34 1de1 s ILE 34 Ca 0.48 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 1de1 s ILE 34 Cb -0.11 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.21 1de1 s ILE 34 CO 0.22 0.15 1.24 0.21 0.00 0.00 0.00 174.94 176.77 1de1 s ASN 35 N 1.99 6.50 0.00 3.58 3.84 -1.26 -2.50 114.94 127.10 1de1 s ASN 35 Ca 0.02 0.53 0.20 0.00 0.21 0.00 0.00 52.86 53.83 1de1 s ASN 35 Cb -0.12 -2.55 0.99 0.00 -0.55 0.00 0.00 41.25 39.02 1de1 s ASN 35 CO -0.04 -1.35 1.65 2.30 -2.79 0.00 0.00 177.10 176.87 1de1 n ILE 36 N 6.91 0.44 -3.74 -5.21 -5.35 -0.69 -4.11 119.36 107.62 1de1 n ILE 36 Ca 0.13 0.11 -0.28 0.00 -0.27 0.00 0.00 62.75 62.44 1de1 n ILE 36 Cb 0.49 -0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 37.50 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de1 s MET 37 N -2.71 1.97 0.62 6.28 0.00 -1.26 0.18 119.30 124.39 1de1 s MET 37 Ca 0.16 -2.94 0.40 0.00 0.00 0.00 0.00 55.69 53.32 1de1 s MET 37 Cb 0.14 -2.80 2.04 0.00 0.00 0.00 0.00 34.83 34.21 1de1 s MET 37 CO 0.33 -1.31 2.24 -1.35 0.00 0.00 0.00 175.02 174.92 1de1 h PRO 38 N 5.51 0.00 -3.78 4.11 0.11 -1.78 -3.42 132.00 132.75 1de1 h PRO 38 Ca 0.18 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.05 1de1 h PRO 38 Cb 0.81 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.64 1de1 h PRO 38 CO 0.61 0.01 -0.72 -1.21 -0.21 0.00 0.00 178.00 176.47 1de1 s GLU 39 N -4.01 0.04 0.00 1.05 2.02 -1.26 -5.01 118.70 111.53 1de1 s GLU 39 Ca -0.03 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1de1 s GLU 39 Cb 0.12 -0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.33 1de1 s GLU 39 CO 0.46 0.01 0.95 1.17 0.02 0.00 0.00 175.26 177.87 1de1 n LYS 40 N 3.05 0.00 0.01 1.61 0.00 -1.26 -2.53 118.16 119.04 1de1 n LYS 40 Ca -0.12 0.43 -0.05 0.00 0.00 0.00 0.00 58.31 58.57 1de1 n LYS 40 Cb 0.60 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1de1 h GLY 41 N 0.06 -0.15 -4.45 3.14 0.00 -1.95 -3.48 103.07 96.24 1de1 h GLY 41 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1de1 h GLY 41 CO 0.00 -0.06 -0.23 0.14 0.00 0.00 0.00 176.54 176.39 1de1 s VAL 42 N -2.23 0.05 1.17 4.60 1.01 -1.05 -5.16 120.40 118.79 1de1 s VAL 42 Ca -0.05 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1de1 s VAL 42 Cb -0.00 -0.66 0.28 0.00 0.00 0.00 0.00 36.38 36.00 1de1 s VAL 42 CO 0.18 -0.24 1.03 -0.36 0.00 0.00 0.00 175.10 175.71 1de1 s PHE 43 N -1.35 1.34 -0.67 5.22 0.08 -1.26 -4.11 117.98 117.23 1de1 s PHE 43 Ca -0.13 1.05 -0.24 0.00 0.12 0.00 0.00 56.93 57.73 1de1 s PHE 43 Cb -0.05 -3.12 0.06 0.00 -0.57 0.00 0.00 43.02 39.34 1de1 s PHE 43 CO 0.05 -3.83 1.03 0.34 -0.10 0.00 0.00 175.22 172.71 1de1 s ASP 44 N -2.77 6.19 0.59 1.36 -1.08 0.49 -4.87 116.67 116.58 1de1 s ASP 44 Ca 0.68 -0.81 0.29 0.00 -0.52 0.00 0.00 52.55 52.19 1de1 s ASP 44 Cb -0.23 -2.45 1.64 0.00 -1.46 0.00 0.00 42.92 40.42 1de1 s ASP 44 CO 0.63 -1.51 2.06 0.44 0.52 0.00 0.00 175.17 177.31 1de1 h ASP 45 N 9.64 0.00 0.71 -0.34 5.19 -1.91 0.51 116.42 130.22 1de1 h ASP 45 Ca -0.28 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 1de1 h ASP 45 Cb 1.07 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.58 1de1 h ASP 45 CO 1.19 0.00 -0.34 -0.33 -3.12 0.00 0.00 179.24 176.64 1de1 h GLU 46 N 0.00 -0.92 -0.25 3.56 5.08 -1.97 0.90 114.58 120.98 1de1 h GLU 46 Ca 0.11 0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1de1 h GLU 46 Cb 0.63 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1de1 h GLU 46 CO -0.00 -0.61 -0.12 0.87 -1.00 0.00 0.00 179.01 178.14 1de1 h LYS 47 N -1.21 0.42 0.00 2.33 1.57 -1.86 -2.26 116.57 115.56 1de1 h LYS 47 Ca -0.10 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1de1 h LYS 47 Cb 0.73 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1de1 h LYS 47 CO 0.16 0.55 -0.67 0.82 -0.57 0.00 0.00 179.45 179.74 1de1 h ILE 48 N 0.39 1.45 0.55 1.86 1.08 -0.89 -2.75 117.51 119.20 1de1 h ILE 48 Ca 0.08 -2.31 -0.03 0.00 -0.39 0.00 0.00 64.86 62.20 1de1 h ILE 48 Cb 0.46 2.26 0.01 0.00 -3.07 0.00 0.00 36.82 36.47 1de1 h ILE 48 CO 0.03 0.66 -0.26 0.00 -0.69 0.00 0.00 178.15 177.88 1de1 h ALA 49 N 1.33 -0.73 -0.45 1.87 0.00 0.15 -1.46 119.26 119.96 1de1 h ALA 49 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1de1 h ALA 49 Cb 1.20 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1de1 h ALA 49 CO 0.09 -0.87 0.15 1.05 0.00 0.00 0.00 179.25 179.67 1de1 h GLU 50 N -0.82 0.65 -0.09 0.00 4.11 -1.59 -2.67 114.58 114.17 1de1 h GLU 50 Ca -0.07 -0.10 0.03 0.00 0.07 0.00 0.00 59.36 59.28 1de1 h GLU 50 Cb 0.60 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1de1 h GLU 50 CO 0.12 0.56 -0.08 1.25 0.07 0.00 0.00 179.01 180.93 1de1 h LEU 51 N 0.64 -0.26 -0.44 3.06 6.46 -1.26 0.28 115.31 123.81 1de1 h LEU 51 Ca 0.15 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 1de1 h LEU 51 Cb 0.17 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.16 1de1 h LEU 51 CO -0.01 -0.11 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.62 1de1 h LEU 52 N -0.10 -0.19 -0.93 2.25 3.38 -0.93 0.37 115.31 119.15 1de1 h LEU 52 Ca 0.06 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1de1 h LEU 52 Cb 0.19 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1de1 h LEU 52 CO -0.15 -0.06 0.18 0.74 0.09 0.00 0.00 178.44 179.24 1de1 h THR 53 N 0.10 1.24 -0.73 0.22 2.02 -1.27 -2.48 112.91 112.02 1de1 h THR 53 Ca 0.22 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.59 1de1 h THR 53 Cb 0.31 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1de1 h THR 53 CO -0.36 0.32 0.46 0.50 0.37 0.00 0.00 175.52 176.80 1de1 h LYS 54 N 0.93 0.86 -0.28 6.66 1.63 0.13 -2.47 116.57 124.03 1de1 h LYS 54 Ca 0.21 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1de1 h LYS 54 Cb 0.29 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1de1 h LYS 54 CO -0.01 0.57 0.18 -0.07 -3.45 0.00 0.00 179.45 176.68 1de1 h LEU 55 N 0.89 0.32 0.00 5.20 3.38 -0.57 -3.43 115.31 121.10 1de1 h LEU 55 Ca 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1de1 h LEU 55 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1de1 h LEU 55 CO -0.12 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1de1 n GLY 56 N -1.17 -0.61 1.32 0.83 0.00 -0.93 -4.98 105.19 99.65 1de1 n GLY 56 Ca -0.02 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 1de1 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de1 n ARG 57 N 0.00 0.09 0.00 1.61 1.85 -1.26 -4.50 116.66 114.44 1de1 n ARG 57 Ca 0.00 -1.52 0.00 0.00 -1.00 0.00 0.00 57.85 55.33 1de1 n ARG 57 Cb 0.00 0.22 0.00 0.00 -1.05 0.00 0.00 32.46 31.63 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1de1 n ASP 58 N 0.16 0.00 -4.55 2.89 2.03 -1.26 -5.14 116.55 110.68 1de1 n ASP 58 Ca -0.12 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.93 1de1 n ASP 58 Cb 0.91 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.20 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1de1 s THR 59 N 2.27 2.18 -0.65 5.18 -1.32 -1.26 -4.96 115.64 117.09 1de1 s THR 59 Ca 0.00 -2.17 -0.26 0.00 -1.21 0.00 0.00 61.69 58.05 1de1 s THR 59 Cb 0.00 -2.70 -0.02 0.00 -1.51 0.00 0.00 72.50 68.27 1de1 s THR 59 CO 0.00 -0.17 1.88 0.00 -2.21 0.00 0.00 174.62 174.12 1de1 s GLN 60 N -3.63 2.61 -1.21 7.08 0.00 -1.26 -4.89 119.66 118.36 1de1 s GLN 60 Ca 0.33 0.51 -0.20 0.00 -0.00 0.00 0.00 55.36 56.00 1de1 s GLN 60 Cb 0.04 -4.47 0.06 0.00 0.00 0.00 0.00 33.01 28.64 1de1 s GLN 60 CO 0.17 -2.82 1.66 0.42 0.00 0.00 0.00 175.29 174.72 1de1 s ILE 61 N 9.24 4.04 -1.66 3.63 1.01 -1.26 -4.18 121.20 132.02 1de1 s ILE 61 Ca 0.68 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1de1 s ILE 61 Cb -0.12 -5.13 0.00 0.00 0.01 0.00 0.00 42.46 37.22 1de1 s ILE 61 CO 0.18 -1.97 0.00 0.61 0.00 0.00 0.00 174.94 173.76 1de1 n GLY 62 N 5.87 0.68 3.74 6.18 0.00 -1.26 -4.92 105.19 115.48 1de1 n GLY 62 Ca 0.44 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 1de1 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1de1 s LEU 63 N -4.97 3.51 0.27 0.99 2.01 -1.26 -5.05 118.68 114.17 1de1 s LEU 63 Ca 0.00 2.33 0.02 0.00 0.01 0.00 0.00 54.13 56.49 1de1 s LEU 63 Cb 0.00 -4.59 -0.05 0.00 0.01 0.00 0.00 46.19 41.56 1de1 s LEU 63 CO 0.00 -1.84 0.09 0.42 1.01 0.00 0.00 176.35 176.03 1de1 s THR 64 N -1.82 0.62 0.26 5.49 -4.23 -1.26 -5.11 115.64 109.59 1de1 s THR 64 Ca 0.75 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.34 1de1 s THR 64 Cb -0.29 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1de1 s THR 64 CO 0.39 0.00 0.15 -0.04 -0.54 0.00 0.00 174.62 174.57 1de1 s MET 65 N -4.01 2.74 0.28 3.99 -1.94 -1.26 -4.29 119.30 114.79 1de1 s MET 65 Ca 0.38 -1.18 -0.23 0.00 -1.71 0.00 0.00 55.69 52.95 1de1 s MET 65 Cb 0.08 -2.44 -0.09 0.00 2.01 0.00 0.00 34.83 34.38 1de1 s MET 65 CO 0.14 0.36 0.84 -2.14 -0.01 0.00 0.00 175.02 174.21 1de1 s PRO 66 N -3.81 4.43 -0.21 2.03 0.02 -1.26 -5.02 135.00 131.18 1de1 s PRO 66 Ca 0.33 1.11 -0.07 0.00 0.02 0.00 0.00 61.00 62.39 1de1 s PRO 66 Cb -0.07 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.58 1de1 s PRO 66 CO 0.24 0.33 0.05 -0.65 -0.33 0.00 0.00 177.00 176.64 1de1 s GLN 67 N -2.02 3.78 0.27 5.54 -1.52 0.68 -4.23 119.66 122.16 1de1 s GLN 67 Ca 0.47 -0.43 0.04 0.00 -1.95 0.00 0.00 55.36 53.49 1de1 s GLN 67 Cb -0.18 -3.21 -0.03 0.00 -0.22 0.00 0.00 33.01 29.38 1de1 s GLN 67 CO 0.22 0.06 0.41 0.08 -0.25 0.00 0.00 175.29 175.82 1de1 s VAL 68 N 0.92 5.06 -0.06 1.09 1.01 0.11 0.15 120.40 128.69 1de1 s VAL 68 Ca 0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1de1 s VAL 68 Cb -0.14 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1de1 s VAL 68 CO 0.02 -0.35 0.12 -0.36 0.00 0.00 0.00 175.10 174.54 1de1 s PHE 69 N -2.07 -0.13 0.42 5.22 0.08 0.25 -1.92 117.98 119.82 1de1 s PHE 69 Ca 0.37 0.40 -0.26 0.00 0.12 0.00 0.00 56.93 57.56 1de1 s PHE 69 Cb -0.09 -0.09 -0.08 0.00 -0.57 0.00 0.00 43.02 42.19 1de1 s PHE 69 CO 0.31 -0.14 1.34 0.00 -0.10 0.00 0.00 175.22 176.63 1de1 s ALA 70 N 0.99 3.25 0.54 5.36 0.00 -1.04 -1.25 121.76 129.61 1de1 s ALA 70 Ca -0.08 1.31 0.46 0.00 0.00 0.00 0.00 51.96 53.65 1de1 s ALA 70 Cb -0.10 -3.52 1.67 0.00 0.00 0.00 0.00 23.12 21.17 1de1 s ALA 70 CO -0.05 -0.95 1.61 -1.35 0.00 0.00 0.00 175.76 175.02 1de1 h PRO 71 N 2.54 0.01 0.00 0.00 0.11 -1.83 -2.97 132.00 129.86 1de1 h PRO 71 Ca -0.50 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1de1 h PRO 71 Cb 1.25 -0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 1de1 h PRO 71 CO 0.62 0.01 -0.22 -0.40 -0.21 0.00 0.00 178.00 177.80 1de1 n ASP 72 N -4.09 -0.98 0.00 -2.05 5.75 -1.26 -4.44 116.55 109.48 1de1 n ASP 72 Ca 0.41 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1de1 n ASP 72 Cb 1.84 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 42.32 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de1 n GLY 73 N -0.63 0.83 3.83 6.12 0.00 -1.12 -5.18 105.19 109.04 1de1 n GLY 73 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de1 s SER 74 N 0.80 -0.07 -0.68 1.61 0.01 -1.26 -4.89 113.70 109.22 1de1 s SER 74 Ca 0.00 -0.70 -0.30 0.00 1.31 0.00 0.00 55.95 56.26 1de1 s SER 74 Cb 0.00 0.59 -0.14 0.00 0.21 0.00 0.00 66.02 66.68 1de1 s SER 74 CO 0.00 -1.15 2.49 1.57 0.41 0.00 0.00 173.24 176.56 1de1 n HIS 75 N -0.58 1.10 0.09 2.43 -0.00 -1.26 -2.49 115.22 114.51 1de1 n HIS 75 Ca -0.05 0.26 -0.13 0.00 0.46 0.00 0.00 57.72 58.26 1de1 n HIS 75 Cb 0.60 -2.51 -0.08 0.00 -0.12 0.00 0.00 29.99 27.87 1de1 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de1 h ILE 76 N 7.72 0.93 0.00 3.57 2.04 -1.73 -3.48 117.51 126.56 1de1 h ILE 76 Ca -0.17 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1de1 h ILE 76 Cb 1.30 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1de1 h ILE 76 CO 1.23 0.16 0.00 0.61 0.00 0.00 0.00 178.15 180.15 1de1 n GLY 77 N -0.19 0.72 0.00 5.37 0.00 -1.24 -4.59 105.19 105.27 1de1 n GLY 77 Ca -0.09 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1de1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de1 n GLY 78 N 0.00 1.57 0.00 -0.02 0.00 -1.26 -0.72 105.19 104.77 1de1 n GLY 78 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1de1 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de1 n PHE 79 N 0.00 0.00 -0.22 1.61 7.35 -1.26 -2.05 117.46 122.89 1de1 n PHE 79 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1de1 n PHE 79 Cb 0.00 -0.46 0.06 0.00 0.35 0.00 0.00 39.48 39.43 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de1 h ASP 80 N 0.00 0.65 -0.88 -2.13 1.82 -1.96 -0.12 116.42 113.79 1de1 h ASP 80 Ca 0.00 -0.00 0.17 0.00 -0.39 0.00 0.00 57.03 56.81 1de1 h ASP 80 Cb 0.00 -0.14 -0.07 0.00 0.68 0.00 0.00 39.33 39.80 1de1 h ASP 80 CO 0.00 0.46 0.57 -0.61 -1.61 0.00 0.00 179.24 178.05 1de1 h GLN 81 N 0.78 0.52 0.12 0.28 4.15 -1.92 -0.19 115.11 118.85 1de1 h GLN 81 Ca 0.25 -0.03 -0.27 0.00 0.77 0.00 0.00 58.65 59.36 1de1 h GLN 81 Cb -0.01 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1de1 h GLN 81 CO -0.09 0.35 -1.25 1.25 -1.93 0.00 0.00 178.83 177.15 1de1 h LEU 82 N 0.54 0.39 -1.99 -2.39 6.46 -0.67 -3.20 115.31 114.45 1de1 h LEU 82 Ca 0.45 -0.43 0.25 0.00 -0.12 0.00 0.00 57.88 58.04 1de1 h LEU 82 Cb 0.93 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 1de1 h LEU 82 CO -0.19 1.34 0.63 -0.09 -0.62 0.00 0.00 178.44 179.50 1de1 h ARG 83 N 0.07 0.00 -0.22 1.25 2.43 0.74 1.62 114.38 120.27 1de1 h ARG 83 Ca -0.13 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 1de1 h ARG 83 Cb 1.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 1de1 h ARG 83 CO 0.19 0.00 -0.37 1.49 -1.51 0.00 0.00 179.97 179.77 1de1 h GLU 84 N 0.00 0.50 -0.34 0.20 4.57 -1.48 1.03 114.58 119.06 1de1 h GLU 84 Ca 0.41 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 1de1 h GLU 84 Cb 1.66 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.23 1de1 h GLU 84 CO -0.00 0.80 0.04 -0.92 -1.18 0.00 0.00 179.01 177.74 1de1 h TYR 85 N 0.42 0.51 0.00 0.92 5.03 0.22 -3.33 116.97 120.75 1de1 h TYR 85 Ca 0.04 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1de1 h TYR 85 Cb 0.85 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.97 1de1 h TYR 85 CO 0.03 0.48 0.00 1.19 -1.32 0.00 0.00 178.16 178.54 1de1 n PHE 86 N -4.32 0.00 -0.19 -3.82 3.72 -0.67 -5.13 117.46 107.05 1de1 n PHE 86 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1de1 n PHE 86 Cb 0.21 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1de1 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07