#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pe4 n ASP 2 N 0.00 -2.82 -3.56 2.89 5.75 -1.26 -1.25 116.55 116.31 1pe4 n ASP 2 Ca 0.00 -0.94 -0.27 0.00 -0.01 0.00 0.00 54.79 53.57 1pe4 n ASP 2 Cb 0.00 -0.87 -0.10 0.00 -1.03 0.00 0.00 41.12 39.13 1pe4 n ASP 2 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pe4 n GLY 3 N -4.35 3.75 0.00 6.12 0.00 0.83 -3.49 105.19 108.05 1pe4 n GLY 3 Ca 0.13 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1pe4 n GLY 3 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1pe4 n TYR 4 N 1.69 0.00 -0.12 1.61 4.19 -1.26 -2.64 117.16 120.63 1pe4 n TYR 4 Ca 0.25 0.00 0.26 0.00 3.31 0.00 0.00 57.90 61.72 1pe4 n TYR 4 Cb 0.42 0.00 0.55 0.00 0.49 0.00 0.00 39.34 40.79 1pe4 n TYR 4 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 1pe4 h PRO 5 N 0.00 0.00 -6.51 2.98 0.11 -1.96 -3.45 132.00 123.17 1pe4 h PRO 5 Ca 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.78 1pe4 h PRO 5 Cb 0.71 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.84 1pe4 h PRO 5 CO 0.00 0.00 -1.18 1.47 -0.21 0.00 0.00 178.00 178.08 1pe4 n LEU 6 N -3.40 -2.61 0.00 2.35 -0.00 -1.26 -4.86 117.00 107.22 1pe4 n LEU 6 Ca 0.18 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1pe4 n LEU 6 Cb 1.25 -1.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1pe4 n LEU 6 CO 0.25 -0.22 0.21 0.00 -0.00 0.00 0.00 177.39 177.63 1pe4 n ALA 7 N 0.06 0.00 -1.88 1.47 0.00 -1.26 -4.14 120.51 114.75 1pe4 n ALA 7 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 1pe4 n ALA 7 Cb 0.65 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 20.29 1pe4 n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pe4 s SER 8 N -2.51 6.21 -0.64 0.00 0.15 -1.26 -4.85 113.70 110.80 1pe4 s SER 8 Ca 0.00 2.00 -0.18 0.00 0.70 0.00 0.00 55.95 58.47 1pe4 s SER 8 Cb 0.00 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.63 1pe4 s SER 8 CO 0.00 -1.34 1.85 0.59 1.20 0.00 0.00 173.24 175.54 1pe4 n ASN 9 N 8.85 2.70 0.00 5.45 3.02 -1.26 -2.23 115.26 131.79 1pe4 n ASN 9 Ca 0.21 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 1pe4 n ASN 9 Cb 0.44 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1pe4 n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pe4 n GLY 10 N 4.36 0.23 3.64 7.41 0.00 -1.26 -3.71 105.19 115.86 1pe4 n GLY 10 Ca 0.44 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 1pe4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe4 n LYS 12 N 2.34 0.11 0.00 0.00 5.02 -1.26 -4.29 118.16 120.09 1pe4 n LYS 12 Ca -0.13 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1pe4 n LYS 12 Cb 0.56 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1pe4 n LYS 12 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1pe4 n PHE 13 N -2.97 0.00 0.00 2.13 3.72 -1.26 -1.65 117.46 117.44 1pe4 n PHE 13 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1pe4 n PHE 13 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1pe4 n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pe4 n GLY 14 N 5.00 -2.31 2.54 1.37 0.00 -1.26 -3.99 105.19 106.53 1pe4 n GLY 14 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1pe4 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe4 s SER 16 N -2.27 5.84 0.38 0.00 1.04 -1.26 -3.42 113.70 114.01 1pe4 s SER 16 Ca 0.00 1.43 0.16 0.00 0.48 0.00 0.00 55.95 58.02 1pe4 s SER 16 Cb 0.00 -2.52 1.05 0.00 0.10 0.00 0.00 66.02 64.65 1pe4 s SER 16 CO 0.00 -1.73 1.76 1.23 0.98 0.00 0.00 173.24 175.48 1pe4 h GLY 17 N 13.83 1.39 -6.06 7.32 0.00 -1.86 -3.14 103.07 114.56 1pe4 h GLY 17 Ca -0.35 -0.23 -0.54 0.00 0.00 0.00 0.00 47.33 46.21 1pe4 h GLY 17 CO 1.02 -0.16 2.42 1.04 0.00 0.00 0.00 176.54 180.85 1pe4 n LEU 18 N -4.69 4.41 0.00 3.11 4.32 -1.26 -4.45 117.00 118.43 1pe4 n LEU 18 Ca 0.26 -2.89 0.00 0.00 -0.02 0.00 0.00 56.01 53.36 1pe4 n LEU 18 Cb 0.85 -1.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1pe4 n LEU 18 CO 0.23 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1pe4 n GLY 19 N 4.22 2.53 0.00 -0.72 0.00 -1.19 -4.93 105.19 105.10 1pe4 n GLY 19 Ca 0.47 -1.06 0.14 0.00 0.00 0.00 0.00 46.02 45.56 1pe4 n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pe4 n GLU 20 N 0.92 0.55 -1.23 1.61 1.02 -1.26 -4.35 120.64 117.89 1pe4 n GLU 20 Ca 0.00 0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.80 1pe4 n GLU 20 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1pe4 n GLU 20 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1pe4 n ASN 21 N -1.19 6.76 -2.69 1.62 5.15 -1.26 -4.12 115.26 119.52 1pe4 n ASN 21 Ca 0.16 -2.56 -0.06 0.00 -0.60 0.00 0.00 54.58 51.52 1pe4 n ASN 21 Cb 0.18 -1.44 0.08 0.00 -0.53 0.00 0.00 39.78 38.07 1pe4 n ASN 21 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1pe4 n ASN 22 N 4.34 -1.67 -1.87 1.20 6.94 -1.26 -4.82 115.26 118.13 1pe4 n ASN 22 Ca 0.65 -2.49 -0.14 0.00 -0.02 0.00 0.00 54.58 52.58 1pe4 n ASN 22 Cb 0.24 1.34 0.01 0.00 -2.36 0.00 0.00 39.78 39.02 1pe4 n ASN 22 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1pe4 n PRO 23 N 0.08 1.69 0.12 -0.53 -0.04 -1.26 -2.92 135.00 132.14 1pe4 n PRO 23 Ca -0.06 -1.26 -0.22 0.00 -0.04 0.00 0.00 63.50 61.93 1pe4 n PRO 23 Cb 0.74 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 32.50 1pe4 n PRO 23 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1pe4 h THR 24 N 1.14 1.27 -1.02 0.52 1.35 -1.95 -3.34 112.91 110.88 1pe4 h THR 24 Ca 0.23 -2.76 0.32 0.00 -0.55 0.00 0.00 66.41 63.65 1pe4 h THR 24 Cb 0.94 2.96 -0.14 0.00 -1.73 0.00 0.00 68.15 70.18 1pe4 h THR 24 CO 0.58 0.84 0.59 0.00 -0.25 0.00 0.00 175.52 177.27 1pe4 h ASN 26 N 0.32 -0.74 -0.13 0.00 2.35 -1.93 -0.04 115.58 115.40 1pe4 h ASN 26 Ca 0.73 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.49 1pe4 h ASN 26 Cb 1.70 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 40.27 1pe4 h ASN 26 CO -0.58 -0.50 0.01 -0.74 -1.65 0.00 0.00 177.43 173.98 1pe4 h HIS 27 N -0.82 0.25 -0.48 1.19 2.76 -1.46 -2.76 115.15 113.83 1pe4 h HIS 27 Ca -0.08 -0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1pe4 h HIS 27 Cb 0.64 -0.07 -0.09 0.00 1.55 0.00 0.00 27.41 29.44 1pe4 h HIS 27 CO 0.05 0.43 -0.13 0.28 -1.30 0.00 0.00 177.93 177.26 1pe4 h VAL 28 N -0.01 0.51 -0.27 5.26 2.07 0.10 0.35 116.25 124.26 1pe4 h VAL 28 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1pe4 h VAL 28 Cb 0.32 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1pe4 h VAL 28 CO 0.00 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.72 1pe4 n GLU 30 N -4.98 0.92 0.00 0.00 0.28 -0.48 -1.53 120.64 114.85 1pe4 n GLU 30 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1pe4 n GLU 30 Cb 0.07 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.48 1pe4 n GLU 30 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1pe4 n LYS 31 N -0.96 0.00 0.13 3.44 4.81 0.11 -3.49 118.16 122.20 1pe4 n LYS 31 Ca 0.20 0.01 -0.02 0.00 -0.87 0.00 0.00 58.31 57.64 1pe4 n LYS 31 Cb 0.09 -0.22 0.15 0.00 0.02 0.00 0.00 35.03 35.07 1pe4 n LYS 31 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1pe4 h LYS 32 N 0.00 0.00 -0.00 1.64 2.10 -1.58 -2.94 116.57 115.79 1pe4 h LYS 32 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pe4 h LYS 32 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1pe4 h LYS 32 CO 0.00 0.65 -0.80 0.00 -2.00 0.00 0.00 179.45 177.29 1pe4 n ALA 33 N -2.41 4.30 -1.97 0.07 0.00 -0.94 -4.93 120.51 114.63 1pe4 n ALA 33 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 53.44 52.82 1pe4 n ALA 33 Cb 0.64 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1pe4 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pe4 n GLY 34 N 1.48 -0.06 1.78 0.00 0.00 -0.58 -4.87 105.19 102.95 1pe4 n GLY 34 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1pe4 n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pe4 n SER 35 N -0.91 0.37 -1.31 1.61 2.88 -0.95 -4.88 113.62 110.43 1pe4 n SER 35 Ca -0.07 -2.19 0.04 0.00 -1.33 0.00 0.00 58.87 55.32 1pe4 n SER 35 Cb 0.42 0.73 0.06 0.00 -0.75 0.00 0.00 64.21 64.67 1pe4 n SER 35 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1pe4 n ASP 36 N -2.02 1.14 -4.48 -3.46 5.75 -1.26 -1.38 116.55 110.83 1pe4 n ASP 36 Ca 0.00 -2.38 -0.43 0.00 -0.01 0.00 0.00 54.79 51.97 1pe4 n ASP 36 Cb 0.33 -0.35 -0.09 0.00 -1.03 0.00 0.00 41.12 39.98 1pe4 n ASP 36 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1pe4 s TYR 37 N -0.65 3.21 0.19 2.11 2.02 -1.26 -5.03 117.35 117.94 1pe4 s TYR 37 Ca 0.35 -0.45 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1pe4 s TYR 37 Cb 0.38 -2.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 1pe4 s TYR 37 CO -0.15 -0.62 0.30 0.41 -1.57 0.00 0.00 175.55 173.92 1pe4 n GLY 38 N 5.13 2.31 3.40 0.71 0.00 -1.26 -1.11 105.19 114.36 1pe4 n GLY 38 Ca -0.09 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1pe4 n GLY 38 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pe4 s TYR 39 N -4.28 -0.70 -0.07 1.61 5.04 -0.93 -4.87 117.35 113.14 1pe4 s TYR 39 Ca 0.14 1.51 0.04 0.00 -2.44 0.00 0.00 57.07 56.32 1pe4 s TYR 39 Cb -0.01 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1pe4 s TYR 39 CO 0.10 -0.37 -0.19 0.00 -1.34 0.00 0.00 175.55 173.75 1pe4 n TYR 41 N 3.38 0.00 -0.44 0.00 9.36 -1.26 -5.07 117.16 123.14 1pe4 n TYR 41 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1pe4 n TYR 41 Cb 0.53 0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.43 1pe4 n TYR 41 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pe4 n ALA 42 N -2.07 0.00 -2.51 2.98 0.00 -1.26 -4.94 120.51 112.71 1pe4 n ALA 42 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1pe4 n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pe4 n ALA 42 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1pe4 n TRP 43 N 0.00 4.34 -3.68 0.00 8.01 -1.26 -4.48 117.44 120.37 1pe4 n TRP 43 Ca 0.00 -3.01 0.04 0.00 -1.31 0.00 0.00 57.50 53.22 1pe4 n TRP 43 Cb 0.00 -2.41 0.00 0.00 -2.01 0.00 0.00 31.31 26.89 1pe4 n TRP 43 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 1pe4 s THR 44 N 2.80 0.00 -0.04 -0.99 -1.32 -1.22 -3.69 115.64 111.19 1pe4 s THR 44 Ca 0.48 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.95 1pe4 s THR 44 Cb 0.05 -2.26 0.03 0.00 -1.51 0.00 0.00 72.50 68.80 1pe4 s THR 44 CO 0.02 0.00 -0.01 0.00 -2.21 0.00 0.00 174.62 172.42 1pe4 s TYR 46 N 1.06 3.49 0.29 0.00 5.04 0.11 -4.00 117.35 123.34 1pe4 s TYR 46 Ca -0.09 0.38 -0.20 0.00 -2.44 0.00 0.00 57.07 54.71 1pe4 s TYR 46 Cb -0.14 -1.90 0.02 0.00 0.35 0.00 0.00 41.96 40.29 1pe4 s TYR 46 CO -0.01 0.20 0.72 0.00 -1.34 0.00 0.00 175.55 175.11 1pe4 s GLU 48 N -3.78 1.54 -0.79 0.00 2.02 -0.27 -0.12 118.70 117.31 1pe4 s GLU 48 Ca 0.12 -1.04 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 1pe4 s GLU 48 Cb -0.06 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.47 1pe4 s GLU 48 CO 0.08 0.44 0.48 1.58 0.02 0.00 0.00 175.26 177.85 1pe4 n HIS 49 N 1.74 -1.30 0.00 1.61 -0.00 -0.38 -4.72 115.22 112.18 1pe4 n HIS 49 Ca -0.17 0.41 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1pe4 n HIS 49 Cb 0.53 -3.03 0.00 0.00 -0.12 0.00 0.00 29.99 27.37 1pe4 n HIS 49 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1pe4 n VAL 50 N -3.89 0.00 0.30 3.57 0.31 -1.25 -4.21 118.33 113.17 1pe4 n VAL 50 Ca -0.03 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.48 1pe4 n VAL 50 Cb 0.55 -0.88 0.95 0.00 -0.91 0.00 0.00 33.84 33.55 1pe4 n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pe4 h ALA 51 N 0.00 1.15 -3.00 3.52 0.00 -1.80 -3.31 119.26 115.82 1pe4 h ALA 51 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pe4 h ALA 51 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pe4 h ALA 51 CO 0.00 0.04 0.00 -1.91 0.00 0.00 0.00 179.25 177.38 1pe4 n GLU 52 N -3.35 1.97 -0.49 0.00 2.13 -1.25 -4.59 120.64 115.06 1pe4 n GLU 52 Ca -0.02 0.00 0.39 0.00 0.66 0.00 0.00 57.16 58.19 1pe4 n GLU 52 Cb 0.16 0.00 0.62 0.00 0.27 0.00 0.00 31.44 32.49 1pe4 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pe4 n GLY 53 N 0.51 -0.76 3.47 8.31 0.00 -1.26 -4.48 105.19 110.97 1pe4 n GLY 53 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 1pe4 n GLY 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pe4 n THR 54 N -4.01 0.00 -5.00 2.61 -1.04 -1.25 -5.03 114.28 100.56 1pe4 n THR 54 Ca 0.35 -0.36 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1pe4 n THR 54 Cb 1.49 -0.92 -0.14 0.00 -1.82 0.00 0.00 70.33 68.93 1pe4 n THR 54 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pe4 s VAL 55 N -2.41 2.49 -0.08 12.58 0.11 -1.26 -4.78 120.40 127.05 1pe4 s VAL 55 Ca 0.66 -1.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1pe4 s VAL 55 Cb -0.23 -1.95 0.02 0.00 -1.53 0.00 0.00 36.38 32.69 1pe4 s VAL 55 CO 0.64 0.50 0.24 -1.48 -3.33 0.00 0.00 175.10 171.67 1pe4 s LEU 56 N -0.91 1.11 -0.00 2.54 -0.00 -1.26 -5.04 118.68 115.12 1pe4 s LEU 56 Ca 0.12 0.44 0.00 0.00 -0.00 0.00 0.00 54.13 54.69 1pe4 s LEU 56 Cb -0.10 0.82 0.00 0.00 -0.00 0.00 0.00 46.19 46.91 1pe4 s LEU 56 CO 0.01 -0.10 0.91 0.79 -0.00 0.00 0.00 176.35 177.96 1pe4 n TRP 57 N 2.84 -0.01 0.00 3.48 5.03 -1.26 -4.76 117.44 122.76 1pe4 n TRP 57 Ca -0.13 -0.46 0.00 0.00 3.03 0.00 0.00 57.50 59.94 1pe4 n TRP 57 Cb 0.58 0.48 0.00 0.00 -1.03 0.00 0.00 31.31 31.35 1pe4 n TRP 57 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pe4 n GLY 58 N -0.01 1.88 0.00 6.99 0.00 -1.24 -4.88 105.19 107.93 1pe4 n GLY 58 Ca -0.25 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1pe4 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pe4 n ASP 59 N 0.00 0.00 -0.12 1.61 9.92 -0.66 -4.92 116.55 122.39 1pe4 n ASP 59 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1pe4 n ASP 59 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1pe4 n ASP 59 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1pe4 n SER 60 N 0.00 1.99 0.25 -2.24 2.88 -1.26 -4.32 113.62 110.92 1pe4 n SER 60 Ca 0.00 -0.03 0.17 0.00 -1.33 0.00 0.00 58.87 57.68 1pe4 n SER 60 Cb 0.00 -0.52 0.77 0.00 -0.75 0.00 0.00 64.21 63.71 1pe4 n SER 60 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1pe4 h GLY 61 N 1.48 0.00 -0.34 0.46 0.00 -1.81 -3.44 103.07 99.42 1pe4 h GLY 61 Ca -0.58 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 1pe4 h GLY 61 CO -0.12 0.00 -0.06 -0.37 0.00 0.00 0.00 176.54 176.00 1pe4 n THR 62 N -2.84 0.00 0.00 4.70 5.66 -1.26 -4.44 114.28 116.11 1pe4 n THR 62 Ca -0.00 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1pe4 n THR 62 Cb 0.21 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 1pe4 n THR 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pe4 n GLY 63 N -1.97 0.95 1.60 1.09 0.00 -1.26 -4.47 105.19 101.14 1pe4 n GLY 63 Ca 0.05 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1pe4 n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pe4 n PRO 64 N 0.00 1.51 0.00 1.61 -0.04 -1.26 -4.88 135.00 131.93 1pe4 n PRO 64 Ca 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1pe4 n PRO 64 Cb 0.00 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1pe4 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pe4 n ARG 66 N 0.00 -4.70 0.00 0.00 5.12 0.39 -4.93 116.66 112.54 1pe4 n ARG 66 Ca 0.00 -1.39 0.00 0.00 -1.93 0.00 0.00 57.85 54.53 1pe4 n ARG 66 Cb 0.00 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.37 1pe4 n ARG 66 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57