#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 3.60 -0.27 1.12 0.40 -1.06 -3.28 117.98 118.49 1de2 s PHE 2 Ca 0.00 1.75 -0.08 0.00 -0.60 0.00 0.00 56.93 58.00 1de2 s PHE 2 Cb 0.00 -3.02 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 1de2 s PHE 2 CO 0.00 -0.07 0.11 0.15 0.70 0.00 0.00 175.22 176.10 1de2 s LYS 3 N -2.02 3.61 -0.31 0.44 3.01 -0.57 0.54 119.74 124.44 1de2 s LYS 3 Ca 0.51 -0.52 -0.11 0.00 -1.01 0.00 0.00 55.97 54.84 1de2 s LYS 3 Cb -0.22 -3.43 -0.03 0.00 -1.01 0.00 0.00 37.83 33.15 1de2 s LYS 3 CO 0.27 -0.24 0.19 0.08 0.51 0.00 0.00 175.35 176.16 1de2 s VAL 4 N 1.63 5.03 -0.65 3.17 1.01 -0.87 0.88 120.40 130.60 1de2 s VAL 4 Ca 0.06 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 1de2 s VAL 4 Cb -0.16 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.82 1de2 s VAL 4 CO 0.05 0.12 0.82 -0.31 0.00 0.00 0.00 175.10 175.78 1de2 s TYR 5 N 1.70 2.94 0.00 5.22 1.51 0.36 -1.49 117.35 127.59 1de2 s TYR 5 Ca 0.06 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.20 1de2 s TYR 5 Cb -0.17 -4.11 0.00 0.00 -0.11 0.00 0.00 41.96 37.57 1de2 s TYR 5 CO 0.09 -1.40 0.00 0.41 -1.11 0.00 0.00 175.55 173.54 1de2 n GLY 6 N 5.27 3.64 2.99 0.71 0.00 -0.88 0.98 105.19 117.91 1de2 n GLY 6 Ca -0.04 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1de2 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de2 s TYR 7 N 0.01 1.02 -0.50 1.61 1.51 -1.26 -2.02 117.35 117.71 1de2 s TYR 7 Ca 0.00 -0.28 0.08 0.00 -1.01 0.00 0.00 57.07 55.86 1de2 s TYR 7 Cb 0.00 -0.74 0.32 0.00 -0.11 0.00 0.00 41.96 41.43 1de2 s TYR 7 CO 0.00 -0.14 0.81 -0.25 -1.11 0.00 0.00 175.55 174.86 1de2 n ASP 8 N 3.45 2.80 -1.55 2.29 9.92 -1.26 -4.77 116.55 127.43 1de2 n ASP 8 Ca -0.20 -3.34 -0.00 0.00 -0.53 0.00 0.00 54.79 50.72 1de2 n ASP 8 Cb 0.53 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de2 n SER 9 N 0.23 -0.31 -0.32 -2.24 2.88 -1.26 -5.00 113.62 107.60 1de2 n SER 9 Ca 0.28 -1.12 0.12 0.00 -1.33 0.00 0.00 58.87 56.82 1de2 n SER 9 Cb 0.49 0.50 0.56 0.00 -0.75 0.00 0.00 64.21 65.01 1de2 n SER 9 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1de2 n ASN 10 N -0.54 0.99 -0.21 -3.46 2.85 -1.26 -3.36 115.26 110.27 1de2 n ASN 10 Ca 0.00 -1.46 0.14 0.00 -0.11 0.00 0.00 54.58 53.15 1de2 n ASN 10 Cb 0.12 -0.03 0.52 0.00 1.24 0.00 0.00 39.78 41.63 1de2 n ASN 10 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1de2 n ILE 11 N -0.18 0.00 -3.61 -1.44 5.41 -1.26 -4.89 119.36 113.38 1de2 n ILE 11 Ca 0.18 -0.11 -0.09 0.00 1.00 0.00 0.00 62.75 63.73 1de2 n ILE 11 Cb 0.25 0.16 -0.06 0.00 -0.71 0.00 0.00 39.64 39.28 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1de2 s HIS 12 N -2.40 -0.36 0.77 1.39 2.46 -1.21 -4.82 115.29 111.11 1de2 s HIS 12 Ca 0.29 0.76 -0.11 0.00 0.47 0.00 0.00 55.06 56.47 1de2 s HIS 12 Cb 0.20 0.42 0.06 0.00 -0.13 0.00 0.00 32.58 33.13 1de2 s HIS 12 CO 0.47 -0.25 1.13 0.21 -2.47 0.00 0.00 174.74 173.83 1de2 s LYS 13 N -0.46 2.20 -0.30 2.88 2.36 -1.26 -4.39 119.74 120.77 1de2 s LYS 13 Ca 0.02 0.13 -0.17 0.00 -2.55 0.00 0.00 55.97 53.40 1de2 s LYS 13 Cb -0.03 -2.00 0.17 0.00 -1.05 0.00 0.00 37.83 34.92 1de2 s LYS 13 CO -0.04 -1.41 1.20 0.00 1.55 0.00 0.00 175.35 176.66 1de2 n VAL 15 N 5.44 1.63 0.31 0.00 0.24 -1.26 -4.19 118.33 120.50 1de2 n VAL 15 Ca -0.09 -0.29 0.18 0.00 -2.04 0.00 0.00 64.34 62.10 1de2 n VAL 15 Cb 0.55 -1.91 0.99 0.00 -1.47 0.00 0.00 33.84 32.00 1de2 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de2 h TYR 16 N -0.57 0.00 -0.72 6.34 0.05 -1.97 -2.50 116.97 117.59 1de2 h TYR 16 Ca -0.40 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.34 1de2 h TYR 16 Cb 1.61 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.32 1de2 h TYR 16 CO 0.08 0.02 0.30 0.00 -1.05 0.00 0.00 178.16 177.52 1de2 h ASP 18 N 1.03 -0.47 0.09 0.00 3.58 -1.65 -1.33 116.42 117.67 1de2 h ASP 18 Ca 0.24 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1de2 h ASP 18 Cb 0.19 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1de2 h ASP 18 CO -0.02 -0.26 -0.04 -0.55 -2.88 0.00 0.00 179.24 175.49 1de2 h ASN 19 N -0.65 -0.10 -0.94 2.28 7.08 -1.61 -3.00 115.58 118.63 1de2 h ASN 19 Ca -0.06 -0.39 0.20 0.00 -3.08 0.00 0.00 56.30 52.97 1de2 h ASN 19 Cb 0.48 0.03 -0.08 0.00 -2.08 0.00 0.00 38.32 36.67 1de2 h ASN 19 CO 0.09 0.36 0.61 0.00 -2.08 0.00 0.00 177.43 176.41 1de2 h ALA 20 N 0.24 2.05 0.71 4.14 0.00 -0.38 0.43 119.26 126.45 1de2 h ALA 20 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1de2 h ALA 20 Cb 0.49 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1de2 h ALA 20 CO 0.02 -0.36 -0.34 -0.22 0.00 0.00 0.00 179.25 178.35 1de2 h LYS 21 N 0.52 -0.92 0.00 0.00 3.64 -1.20 -2.65 116.57 115.96 1de2 h LYS 21 Ca 0.50 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.93 1de2 h LYS 21 Cb 1.09 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1de2 h LYS 21 CO -0.23 -0.59 -0.10 -0.09 -2.27 0.00 0.00 179.45 176.16 1de2 h ARG 22 N -1.07 0.00 0.75 1.90 2.43 -1.21 -2.63 114.38 114.55 1de2 h ARG 22 Ca -0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1de2 h ARG 22 Cb 0.76 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1de2 h ARG 22 CO 0.16 0.10 -0.44 1.25 -1.51 0.00 0.00 179.97 179.53 1de2 h LEU 23 N 0.00 -1.08 -0.87 3.80 6.46 0.15 0.44 115.31 124.21 1de2 h LEU 23 Ca -0.00 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1de2 h LEU 23 Cb 0.33 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1de2 h LEU 23 CO 0.01 -0.69 0.28 -0.07 -0.62 0.00 0.00 178.44 177.36 1de2 h LEU 24 N -1.10 1.02 -0.87 2.25 3.38 -1.37 -1.57 115.31 117.05 1de2 h LEU 24 Ca -0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1de2 h LEU 24 Cb 0.88 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1de2 h LEU 24 CO 0.12 0.92 0.33 0.74 0.09 0.00 0.00 178.44 180.63 1de2 h THR 25 N 1.08 1.26 -0.26 0.22 2.02 -1.28 0.46 112.91 116.40 1de2 h THR 25 Ca 0.25 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1de2 h THR 25 Cb 0.22 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1de2 h THR 25 CO -0.02 0.32 0.02 0.58 0.37 0.00 0.00 175.52 176.79 1de2 h VAL 26 N 1.13 1.25 0.00 3.16 2.07 0.34 -2.45 116.25 121.75 1de2 h VAL 26 Ca 0.26 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1de2 h VAL 26 Cb 0.19 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1de2 h VAL 26 CO -0.03 0.27 0.00 0.29 0.02 0.00 0.00 177.57 178.13 1de2 n LYS 27 N -4.64 0.09 -2.02 1.57 4.01 -0.63 -4.89 118.16 111.64 1de2 n LYS 27 Ca -0.03 0.34 -0.02 0.00 -0.51 0.00 0.00 58.31 58.09 1de2 n LYS 27 Cb 0.23 -1.68 0.01 0.00 -0.51 0.00 0.00 35.03 33.08 1de2 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1de2 n LYS 28 N -1.85 -0.56 -4.09 1.97 3.00 -0.50 -5.08 118.16 111.05 1de2 n LYS 28 Ca 0.03 0.09 -0.16 0.00 -0.00 0.00 0.00 58.31 58.27 1de2 n LYS 28 Cb 0.19 -2.61 -0.15 0.00 0.00 0.00 0.00 35.03 32.47 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de2 s GLN 29 N -3.87 0.37 0.60 1.64 -1.52 0.03 -5.03 119.66 111.89 1de2 s GLN 29 Ca 0.01 -0.12 -0.11 0.00 -1.95 0.00 0.00 55.36 53.20 1de2 s GLN 29 Cb -0.00 -0.38 -0.04 0.00 -0.22 0.00 0.00 33.01 32.37 1de2 s GLN 29 CO 0.08 0.05 1.00 -1.25 -0.25 0.00 0.00 175.29 174.92 1de2 s PRO 30 N 0.09 3.61 0.26 2.91 0.04 -1.26 -4.11 135.00 136.53 1de2 s PRO 30 Ca -0.01 0.70 -0.22 0.00 0.04 0.00 0.00 61.00 61.52 1de2 s PRO 30 Cb -0.04 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.42 1de2 s PRO 30 CO -0.00 -0.53 0.78 -0.59 0.04 0.00 0.00 177.00 176.71 1de2 s PHE 31 N -3.12 -0.15 -0.01 0.56 -0.71 -1.26 -2.56 117.98 110.72 1de2 s PHE 31 Ca 0.54 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 56.15 1de2 s PHE 31 Cb -0.11 0.70 0.01 0.00 -1.21 0.00 0.00 43.02 42.42 1de2 s PHE 31 CO 0.52 -1.17 -0.01 -1.21 -1.34 0.00 0.00 175.22 172.02 1de2 s GLU 32 N -3.64 0.24 0.41 1.99 0.41 0.19 -4.78 118.70 113.52 1de2 s GLU 32 Ca 0.12 -0.01 -0.04 0.00 -0.41 0.00 0.00 54.97 54.62 1de2 s GLU 32 Cb -0.05 -0.33 -0.04 0.00 -1.78 0.00 0.00 34.13 31.93 1de2 s GLU 32 CO 0.06 -0.03 0.69 0.12 -0.49 0.00 0.00 175.26 175.61 1de2 s PHE 33 N 0.45 3.52 -0.14 1.61 5.36 -1.26 -2.05 117.98 125.47 1de2 s PHE 33 Ca -0.04 0.70 -0.05 0.00 -0.96 0.00 0.00 56.93 56.58 1de2 s PHE 33 Cb -0.07 -2.19 0.07 0.00 -0.34 0.00 0.00 43.02 40.49 1de2 s PHE 33 CO -0.01 -0.09 0.29 0.42 -1.46 0.00 0.00 175.22 174.37 1de2 s ILE 34 N -2.49 -0.40 -0.14 3.12 1.01 -0.55 -4.85 121.20 116.89 1de2 s ILE 34 Ca 0.46 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 61.15 1de2 s ILE 34 Cb -0.10 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 1de2 s ILE 34 CO 0.39 0.10 0.59 0.20 0.00 0.00 0.00 174.94 176.22 1de2 s ASN 35 N 2.32 6.75 -0.28 3.58 0.01 -1.26 -2.07 114.94 123.99 1de2 s ASN 35 Ca -0.00 0.90 0.11 0.00 -0.71 0.00 0.00 52.86 53.16 1de2 s ASN 35 Cb -0.12 -2.34 0.77 0.00 0.41 0.00 0.00 41.25 39.98 1de2 s ASN 35 CO -0.09 -0.13 1.77 2.30 -1.51 0.00 0.00 177.10 179.44 1de2 n ILE 36 N 4.11 2.83 -2.88 0.60 -5.35 -0.86 -4.57 119.36 113.25 1de2 n ILE 36 Ca -0.03 -1.50 -0.10 0.00 -0.27 0.00 0.00 62.75 60.85 1de2 n ILE 36 Cb 0.51 -0.33 -0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1de2 n ILE 36 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1de2 n MET 37 N 0.20 0.54 -0.01 6.28 0.00 -1.26 -1.74 117.12 121.13 1de2 n MET 37 Ca 0.35 -2.22 0.00 0.00 0.00 0.00 0.00 57.70 55.83 1de2 n MET 37 Cb 1.30 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 33.04 1de2 n MET 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1de2 n PRO 38 N 2.57 1.05 -3.82 2.12 -0.04 -1.16 -4.81 135.00 130.91 1de2 n PRO 38 Ca 0.18 -0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1de2 n PRO 38 Cb 0.56 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de2 s GLU 39 N -0.82 0.81 0.00 0.54 2.12 -1.22 -5.00 118.70 115.14 1de2 s GLU 39 Ca 0.01 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1de2 s GLU 39 Cb 0.01 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.73 1de2 s GLU 39 CO 0.00 -0.25 0.63 0.36 -0.54 0.00 0.00 175.26 175.46 1de2 n LYS 40 N 0.25 0.00 0.00 4.30 2.85 -1.26 -2.92 118.16 121.38 1de2 n LYS 40 Ca -0.17 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1de2 n LYS 40 Cb 0.61 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1de2 n GLY 41 N -1.13 0.00 3.17 2.58 0.00 -1.26 -5.00 105.19 103.55 1de2 n GLY 41 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1de2 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de2 s VAL 42 N 0.00 -0.52 1.04 1.61 1.01 -1.15 -5.14 120.40 117.26 1de2 s VAL 42 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1de2 s VAL 42 Cb 0.00 -0.58 0.21 0.00 0.00 0.00 0.00 36.38 36.02 1de2 s VAL 42 CO 0.00 0.09 1.08 -0.36 0.00 0.00 0.00 175.10 175.91 1de2 s PHE 43 N 2.46 1.91 -0.50 5.22 0.08 -1.25 -2.96 117.98 122.94 1de2 s PHE 43 Ca -0.01 0.97 -0.19 0.00 0.12 0.00 0.00 56.93 57.82 1de2 s PHE 43 Cb -0.12 -3.25 0.06 0.00 -0.57 0.00 0.00 43.02 39.13 1de2 s PHE 43 CO -0.11 -3.14 0.58 0.34 -0.10 0.00 0.00 175.22 172.80 1de2 s ASP 44 N -3.35 6.21 0.54 1.36 2.15 -0.71 -4.71 116.67 118.16 1de2 s ASP 44 Ca 0.66 -0.95 0.24 0.00 0.43 0.00 0.00 52.55 52.93 1de2 s ASP 44 Cb -0.19 -2.27 1.41 0.00 -0.30 0.00 0.00 42.92 41.57 1de2 s ASP 44 CO 0.59 -0.84 2.05 -2.24 -0.17 0.00 0.00 175.17 174.55 1de2 h ASP 45 N 8.94 0.00 0.38 -0.34 3.04 -1.93 0.17 116.42 126.68 1de2 h ASP 45 Ca -0.27 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.50 1de2 h ASP 45 Cb 1.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 1de2 h ASP 45 CO 0.94 0.00 -0.18 -0.33 -2.04 0.00 0.00 179.24 177.63 1de2 h GLU 46 N 0.00 -0.50 -0.27 4.15 4.39 -2.00 -2.28 114.58 118.08 1de2 h GLU 46 Ca 0.16 0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.79 1de2 h GLU 46 Cb 0.68 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1de2 h GLU 46 CO -0.00 -0.18 -0.25 0.87 -1.16 0.00 0.00 179.01 178.28 1de2 h LYS 47 N -0.89 0.65 -0.57 2.33 1.79 -1.88 -2.96 116.57 115.04 1de2 h LYS 47 Ca -0.05 -0.34 0.11 0.00 -2.18 0.00 0.00 60.65 58.19 1de2 h LYS 47 Cb 0.54 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.12 1de2 h LYS 47 CO 0.09 0.94 0.10 0.82 -1.08 0.00 0.00 179.45 180.32 1de2 h ILE 48 N 0.38 0.64 0.39 1.86 5.03 -0.76 0.86 117.51 125.92 1de2 h ILE 48 Ca 0.04 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1de2 h ILE 48 Cb 0.82 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.99 1de2 h ILE 48 CO 0.06 0.04 -0.25 0.00 -0.68 0.00 0.00 178.15 177.33 1de2 h ALA 49 N 1.46 -0.61 -0.05 1.87 0.00 -1.39 -2.09 119.26 118.45 1de2 h ALA 49 Ca 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1de2 h ALA 49 Cb 0.43 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1de2 h ALA 49 CO -0.40 -0.86 -0.13 1.49 0.00 0.00 0.00 179.25 179.36 1de2 h GLU 50 N -0.62 0.07 0.29 0.00 4.81 -1.25 -2.89 114.58 115.00 1de2 h GLU 50 Ca -0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1de2 h GLU 50 Cb 0.51 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1de2 h GLU 50 CO 0.04 0.20 -0.17 1.25 -0.73 0.00 0.00 179.01 179.60 1de2 h LEU 51 N 0.07 -0.42 -0.26 1.64 6.46 0.13 0.32 115.31 123.25 1de2 h LEU 51 Ca 0.01 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1de2 h LEU 51 Cb 0.28 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 1de2 h LEU 51 CO 0.02 -0.28 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.40 1de2 h LEU 52 N -0.44 -0.32 -1.28 2.25 3.38 -1.19 0.21 115.31 117.91 1de2 h LEU 52 Ca -0.03 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1de2 h LEU 52 Cb 0.36 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1de2 h LEU 52 CO 0.03 -0.12 0.37 0.74 0.09 0.00 0.00 178.44 179.55 1de2 h THR 53 N -0.04 1.18 -0.54 0.22 2.02 -1.37 -1.99 112.91 112.38 1de2 h THR 53 Ca 0.13 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1de2 h THR 53 Cb 0.24 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1de2 h THR 53 CO -0.29 0.19 -0.06 0.11 0.37 0.00 0.00 175.52 175.85 1de2 h LYS 54 N 0.87 0.98 0.23 6.66 1.57 0.11 -3.13 116.57 123.86 1de2 h LYS 54 Ca 0.23 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1de2 h LYS 54 Cb -0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1de2 h LYS 54 CO -0.04 1.00 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.64 1de2 h LEU 55 N 0.89 -0.31 0.00 2.94 3.38 0.07 -3.44 115.31 118.84 1de2 h LEU 55 Ca 0.15 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1de2 h LEU 55 Cb 0.59 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1de2 h LEU 55 CO 0.04 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1de2 n GLY 56 N -1.24 -0.53 1.31 0.83 0.00 -0.95 -4.98 105.19 99.62 1de2 n GLY 56 Ca -0.09 0.59 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 1de2 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de2 n ARG 57 N 0.00 0.07 0.00 1.61 1.85 -1.26 -4.56 116.66 114.37 1de2 n ARG 57 Ca 0.00 -1.51 0.00 0.00 -1.00 0.00 0.00 57.85 55.34 1de2 n ARG 57 Cb 0.00 0.23 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1de2 n ASP 58 N 0.18 0.00 -4.63 2.89 8.00 -1.26 -5.15 116.55 116.57 1de2 n ASP 58 Ca -0.12 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.10 1de2 n ASP 58 Cb 0.91 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.90 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de2 s THR 59 N 3.19 1.99 -0.77 -3.53 -1.32 -1.26 -5.00 115.64 108.94 1de2 s THR 59 Ca 0.00 -1.98 -0.25 0.00 -1.21 0.00 0.00 61.69 58.25 1de2 s THR 59 Cb 0.00 -2.97 0.05 0.00 -1.51 0.00 0.00 72.50 68.07 1de2 s THR 59 CO 0.00 0.00 1.21 0.00 -2.21 0.00 0.00 174.62 173.62 1de2 s GLN 60 N -3.73 3.24 -1.14 7.08 -2.07 -1.26 -4.94 119.66 116.84 1de2 s GLN 60 Ca 0.34 -0.60 -0.21 0.00 -1.82 0.00 0.00 55.36 53.08 1de2 s GLN 60 Cb 0.09 -4.39 0.06 0.00 -1.09 0.00 0.00 33.01 27.68 1de2 s GLN 60 CO 0.18 -2.05 1.56 -1.50 -1.32 0.00 0.00 175.29 172.16 1de2 s ILE 61 N 5.03 4.05 -1.79 3.63 1.10 -1.26 -4.05 121.20 127.92 1de2 s ILE 61 Ca 0.33 -1.32 0.00 0.00 -0.51 0.00 0.00 60.65 59.15 1de2 s ILE 61 Cb -0.09 -5.11 0.00 0.00 0.15 0.00 0.00 42.46 37.41 1de2 s ILE 61 CO 0.09 -1.96 0.00 0.61 -2.11 0.00 0.00 174.94 171.57 1de2 n GLY 62 N 6.15 -0.41 3.70 1.50 0.00 -1.26 -4.83 105.19 110.05 1de2 n GLY 62 Ca 0.40 -0.01 -0.61 0.00 0.00 0.00 0.00 46.02 45.79 1de2 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de2 n LEU 63 N -2.96 1.92 -4.82 0.99 -0.00 -1.26 -4.94 117.00 105.93 1de2 n LEU 63 Ca -0.25 1.08 -0.23 0.00 -0.00 0.00 0.00 56.01 56.62 1de2 n LEU 63 Cb 0.69 -1.04 -0.05 0.00 -0.00 0.00 0.00 43.42 43.02 1de2 n LEU 63 CO 0.29 -0.59 -0.07 0.42 -0.00 0.00 0.00 177.39 177.44 1de2 s THR 64 N 3.56 2.47 0.17 1.96 -4.23 -1.26 -5.15 115.64 113.16 1de2 s THR 64 Ca 1.02 -1.50 0.10 0.00 -1.18 0.00 0.00 61.69 60.13 1de2 s THR 64 Cb -1.23 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 69.59 1de2 s THR 64 CO 0.71 0.00 -0.22 -0.04 -0.54 0.00 0.00 174.62 174.53 1de2 s MET 65 N -4.03 1.40 0.35 3.99 -1.94 -1.26 -4.26 119.30 113.56 1de2 s MET 65 Ca 0.45 -1.45 -0.12 0.00 -1.71 0.00 0.00 55.69 52.85 1de2 s MET 65 Cb 0.00 -1.65 -0.07 0.00 2.01 0.00 0.00 34.83 35.12 1de2 s MET 65 CO 0.25 0.35 0.73 -1.25 -0.01 0.00 0.00 175.02 175.10 1de2 s PRO 66 N -2.62 3.86 -0.25 2.03 0.05 -1.26 -4.95 135.00 131.87 1de2 s PRO 66 Ca 0.18 0.51 0.01 0.00 0.05 0.00 0.00 61.00 61.75 1de2 s PRO 66 Cb -0.07 -2.44 0.04 0.00 0.05 0.00 0.00 34.50 32.08 1de2 s PRO 66 CO 0.08 0.08 -0.10 -0.65 0.05 0.00 0.00 177.00 176.46 1de2 s GLN 67 N -3.41 2.55 0.61 4.56 -1.52 0.28 -4.28 119.66 118.45 1de2 s GLN 67 Ca 0.52 -1.15 -0.08 0.00 -1.95 0.00 0.00 55.36 52.69 1de2 s GLN 67 Cb -0.10 -2.91 -0.01 0.00 -0.22 0.00 0.00 33.01 29.77 1de2 s GLN 67 CO 0.25 -0.47 0.97 0.08 -0.25 0.00 0.00 175.29 175.86 1de2 s VAL 68 N 1.22 4.00 -0.03 1.09 1.01 0.24 0.13 120.40 128.06 1de2 s VAL 68 Ca -0.04 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1de2 s VAL 68 Cb -0.18 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1de2 s VAL 68 CO -0.06 -0.70 0.09 -0.36 0.00 0.00 0.00 175.10 174.07 1de2 s PHE 69 N -3.10 -0.06 0.18 5.22 0.08 0.25 -2.76 117.98 117.79 1de2 s PHE 69 Ca 0.54 0.15 -0.33 0.00 0.12 0.00 0.00 56.93 57.42 1de2 s PHE 69 Cb -0.11 0.01 -0.14 0.00 -0.57 0.00 0.00 43.02 42.21 1de2 s PHE 69 CO 0.49 -0.08 1.42 0.00 -0.10 0.00 0.00 175.22 176.95 1de2 n ALA 70 N 2.79 0.65 0.26 5.36 0.00 0.11 -1.51 120.51 128.17 1de2 n ALA 70 Ca -0.14 0.45 0.17 0.00 0.00 0.00 0.00 53.44 53.91 1de2 n ALA 70 Cb 0.59 -2.24 0.81 0.00 0.00 0.00 0.00 19.45 18.60 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de2 h PRO 71 N 4.73 0.00 0.00 0.00 0.11 -1.88 -3.06 132.00 131.90 1de2 h PRO 71 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1de2 h PRO 71 Cb 1.29 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.26 1de2 h PRO 71 CO 0.80 0.00 -0.25 -0.40 -0.21 0.00 0.00 178.00 177.93 1de2 n ASP 72 N -3.16 -1.41 0.00 -2.05 5.75 -1.26 -4.74 116.55 109.68 1de2 n ASP 72 Ca 0.01 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1de2 n ASP 72 Cb 0.44 0.68 0.00 0.00 -1.03 0.00 0.00 41.12 41.21 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de2 n GLY 73 N -1.34 2.52 3.33 6.12 0.00 -1.15 -5.19 105.19 109.48 1de2 n GLY 73 Ca -0.15 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de2 s SER 74 N 1.35 1.85 0.21 1.61 0.01 -1.26 -4.79 113.70 112.67 1de2 s SER 74 Ca 0.00 -1.73 -0.32 0.00 1.31 0.00 0.00 55.95 55.21 1de2 s SER 74 Cb 0.00 0.54 -0.13 0.00 0.21 0.00 0.00 66.02 66.64 1de2 s SER 74 CO 0.00 -1.03 1.52 1.57 0.41 0.00 0.00 173.24 175.71 1de2 n HIS 75 N -0.67 2.31 -0.13 2.43 -0.00 -1.26 0.04 115.22 117.94 1de2 n HIS 75 Ca 0.04 0.32 -0.20 0.00 0.46 0.00 0.00 57.72 58.34 1de2 n HIS 75 Cb 0.63 -2.52 -0.11 0.00 -0.12 0.00 0.00 29.99 27.87 1de2 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de2 n ILE 76 N 2.72 1.43 0.00 3.57 5.41 -1.11 -4.80 119.36 126.58 1de2 n ILE 76 Ca 0.14 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1de2 n ILE 76 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 1de2 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de2 n GLY 77 N 2.06 0.77 0.00 7.39 0.00 -1.22 -4.56 105.19 109.63 1de2 n GLY 77 Ca -0.46 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1de2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de2 n GLY 78 N 0.00 1.51 0.00 -0.02 0.00 -1.26 0.82 105.19 106.24 1de2 n GLY 78 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1de2 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de2 n PHE 79 N 0.00 0.00 -0.04 1.61 7.35 -1.26 -2.05 117.46 123.07 1de2 n PHE 79 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1de2 n PHE 79 Cb 0.00 -0.47 -0.03 0.00 0.35 0.00 0.00 39.48 39.33 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de2 h ASP 80 N 0.00 -0.09 -0.93 -2.13 1.82 -1.99 0.29 116.42 113.40 1de2 h ASP 80 Ca 0.00 0.04 0.16 0.00 -0.39 0.00 0.00 57.03 56.85 1de2 h ASP 80 Cb 0.00 0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.01 1de2 h ASP 80 CO 0.00 -0.02 0.59 1.56 -1.61 0.00 0.00 179.24 179.77 1de2 h GLN 81 N 0.05 0.67 0.05 0.28 4.20 -1.93 -0.04 115.11 118.40 1de2 h GLN 81 Ca 0.09 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.52 1de2 h GLN 81 Cb 0.12 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1de2 h GLN 81 CO -0.16 0.44 -1.05 1.25 -0.67 0.00 0.00 178.83 178.64 1de2 h LEU 82 N 0.69 0.40 -1.86 1.46 6.46 -0.68 -3.14 115.31 118.63 1de2 h LEU 82 Ca 0.49 -0.37 0.22 0.00 -0.12 0.00 0.00 57.88 58.10 1de2 h LEU 82 Cb 0.82 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.58 1de2 h LEU 82 CO -0.24 1.22 0.58 -0.09 -0.62 0.00 0.00 178.44 179.29 1de2 h ARG 83 N 0.13 0.11 -0.11 1.25 2.43 0.15 1.53 114.38 119.87 1de2 h ARG 83 Ca -0.09 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 1de2 h ARG 83 Cb 1.73 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 1de2 h ARG 83 CO 0.17 0.07 -0.40 1.49 -1.51 0.00 0.00 179.97 179.79 1de2 h GLU 84 N 0.11 0.24 0.00 0.20 4.81 -1.44 1.01 114.58 119.51 1de2 h GLU 84 Ca 0.41 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1de2 h GLU 84 Cb 1.43 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1de2 h GLU 84 CO -0.05 0.61 -0.42 -0.92 -0.73 0.00 0.00 179.01 177.49 1de2 h TYR 85 N 0.20 0.00 0.00 0.92 5.03 0.20 -2.90 116.97 120.43 1de2 h TYR 85 Ca 0.02 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.16 1de2 h TYR 85 Cb 0.80 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 1de2 h TYR 85 CO 0.01 0.42 -1.58 1.19 -1.32 0.00 0.00 178.16 176.89 1de2 n PHE 86 N -4.04 0.77 -0.57 -3.82 3.01 -0.52 -5.13 117.46 107.16 1de2 n PHE 86 Ca -0.02 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.70 1de2 n PHE 86 Cb 0.45 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40