#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pe4 s ASP 2 N 0.00 3.23 -0.31 0.55 1.11 -1.26 -0.54 116.67 119.45 1pe4 s ASP 2 Ca 0.00 -1.42 0.10 0.00 0.18 0.00 0.00 52.55 51.41 1pe4 s ASP 2 Cb 0.00 -0.14 0.46 0.00 1.07 0.00 0.00 42.92 44.31 1pe4 s ASP 2 CO 0.00 -0.58 1.16 0.61 1.18 0.00 0.00 175.17 177.54 1pe4 n GLY 3 N -0.88 5.45 0.22 0.21 0.00 0.12 0.10 105.19 110.41 1pe4 n GLY 3 Ca -0.05 -2.38 0.08 0.00 0.00 0.00 0.00 46.02 43.66 1pe4 n GLY 3 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pe4 n TYR 4 N -0.63 0.00 0.75 1.61 4.01 -1.26 -2.51 117.16 119.13 1pe4 n TYR 4 Ca 0.36 -0.90 0.13 0.00 -0.16 0.00 0.00 57.90 57.33 1pe4 n TYR 4 Cb 0.89 -0.15 0.49 0.00 -0.31 0.00 0.00 39.34 40.26 1pe4 n TYR 4 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1pe4 n PRO 5 N -1.16 0.14 -3.66 -0.72 -0.04 -1.26 -4.97 135.00 123.34 1pe4 n PRO 5 Ca 0.14 0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.48 1pe4 n PRO 5 Cb 0.67 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1pe4 n PRO 5 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1pe4 n LEU 6 N -1.92 -2.47 0.00 1.53 -0.00 -1.26 -4.85 117.00 108.03 1pe4 n LEU 6 Ca 0.06 -0.67 0.00 0.00 -0.00 0.00 0.00 56.01 55.40 1pe4 n LEU 6 Cb 0.36 -1.76 0.00 0.00 -0.00 0.00 0.00 43.42 42.03 1pe4 n LEU 6 CO 0.27 0.13 0.23 0.00 -0.00 0.00 0.00 177.39 178.02 1pe4 n ALA 7 N -1.86 0.00 -1.00 1.47 0.00 -1.12 -4.05 120.51 113.96 1pe4 n ALA 7 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1pe4 n ALA 7 Cb 0.68 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.36 1pe4 n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pe4 n SER 8 N -1.35 0.00 -4.20 0.00 2.88 -1.21 -4.76 113.62 104.99 1pe4 n SER 8 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1pe4 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pe4 n SER 8 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pe4 n ASN 9 N 0.00 4.75 -1.31 -3.46 3.02 -1.26 -4.17 115.26 112.82 1pe4 n ASN 9 Ca 0.00 -2.95 -0.03 0.00 -0.03 0.00 0.00 54.58 51.57 1pe4 n ASN 9 Cb 0.00 -1.64 0.01 0.00 -0.61 0.00 0.00 39.78 37.55 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 4.28 0.40 3.22 7.41 0.00 -1.26 -4.15 105.19 115.08 1pe4 n GLY 10 Ca 0.45 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 3.23 0.00 0.00 0.00 3.00 -1.26 -2.78 118.16 120.35 1pe4 n LYS 12 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1pe4 n LYS 12 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1pe4 n LYS 12 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1pe4 n PHE 13 N -0.16 0.00 0.00 5.64 3.72 -1.17 -4.18 117.46 121.30 1pe4 n PHE 13 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pe4 n PHE 13 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.97 7.00 1.37 0.00 -1.26 -2.43 105.19 111.90 1pe4 n GLY 14 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1pe4 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe4 n SER 16 N 5.89 0.00 -1.95 0.00 3.41 -0.50 -4.61 113.62 115.86 1pe4 n SER 16 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1pe4 n SER 16 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1pe4 n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pe4 n GLY 17 N 0.00 -0.02 3.52 5.00 0.00 0.23 -3.57 105.19 110.34 1pe4 n GLY 17 Ca 0.00 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 1pe4 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pe4 n LEU 18 N 1.13 0.38 -3.64 0.99 4.32 -1.26 -4.77 117.00 114.15 1pe4 n LEU 18 Ca 0.11 -0.57 -0.04 0.00 -0.02 0.00 0.00 56.01 55.49 1pe4 n LEU 18 Cb 0.01 -1.07 -0.06 0.00 -1.62 0.00 0.00 43.42 40.68 1pe4 n LEU 18 CO 0.32 -1.55 1.09 -0.83 -1.22 0.00 0.00 177.39 175.20 1pe4 s GLY 19 N 6.92 0.16 -0.06 -0.72 0.00 -1.26 -5.02 107.32 107.34 1pe4 s GLY 19 Ca 1.18 3.07 0.02 0.00 0.00 0.00 0.00 44.72 48.99 1pe4 s GLY 19 CO 0.39 1.53 0.89 1.18 0.00 0.00 0.00 173.10 177.09 1pe4 n GLU 20 N 1.15 1.55 -0.01 2.90 1.02 -1.26 -4.07 120.64 121.92 1pe4 n GLU 20 Ca -0.07 -0.58 0.11 0.00 -0.02 0.00 0.00 57.16 56.60 1pe4 n GLU 20 Cb 0.58 -1.49 0.58 0.00 -0.02 0.00 0.00 31.44 31.09 1pe4 n GLU 20 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pe4 n ASN 21 N 0.15 0.30 -3.04 1.62 3.02 -1.26 -3.98 115.26 112.06 1pe4 n ASN 21 Ca 0.07 -1.41 -0.15 0.00 -0.03 0.00 0.00 54.58 53.06 1pe4 n ASN 21 Cb 0.53 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1pe4 n ASN 21 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pe4 n ASN 22 N -0.62 0.37 0.00 6.41 4.13 -1.26 -4.86 115.26 119.43 1pe4 n ASN 22 Ca 0.16 -3.06 0.15 0.00 1.68 0.00 0.00 54.58 53.51 1pe4 n ASN 22 Cb 0.12 -0.19 0.86 0.00 -1.54 0.00 0.00 39.78 39.03 1pe4 n ASN 22 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1pe4 n PRO 23 N 0.23 0.84 0.07 3.52 -0.04 -1.26 -2.13 135.00 136.23 1pe4 n PRO 23 Ca 0.20 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 1pe4 n PRO 23 Cb 0.69 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 33.17 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 0.00 1.02 -0.57 0.52 1.35 -1.94 -1.50 112.91 111.80 1pe4 h THR 24 Ca 0.00 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.76 1pe4 h THR 24 Cb 0.05 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.12 1pe4 h THR 24 CO 0.00 0.06 0.38 0.00 -0.25 0.00 0.00 175.52 175.70 1pe4 h ASN 26 N 0.77 -0.30 -0.07 0.00 2.35 -1.55 0.31 115.58 117.09 1pe4 h ASN 26 Ca 0.21 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1pe4 h ASN 26 Cb -0.09 0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1pe4 h ASN 26 CO -0.04 -0.12 -0.17 0.45 -1.65 0.00 0.00 177.43 175.90 1pe4 h HIS 27 N -0.05 0.31 -0.70 1.19 3.86 -1.56 -2.41 115.15 115.79 1pe4 h HIS 27 Ca 0.11 -0.12 0.12 0.00 -1.16 0.00 0.00 60.37 59.32 1pe4 h HIS 27 Cb 0.22 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.56 1pe4 h HIS 27 CO -0.26 0.78 0.29 0.28 0.86 0.00 0.00 177.93 179.89 1pe4 h VAL 28 N -0.26 0.73 -0.23 2.45 2.07 -0.82 0.43 116.25 120.62 1pe4 h VAL 28 Ca -0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1pe4 h VAL 28 Cb 0.78 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1pe4 h VAL 28 CO 0.04 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 1pe4 n GLU 30 N -4.64 0.92 -0.08 0.00 2.13 -0.73 0.12 120.64 118.36 1pe4 n GLU 30 Ca -0.04 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.70 1pe4 n GLU 30 Cb 0.25 -1.38 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 1pe4 n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1pe4 n LYS 31 N -0.88 0.51 -0.07 5.31 4.01 0.14 -4.38 118.16 122.80 1pe4 n LYS 31 Ca 0.17 0.30 -0.08 0.00 -0.51 0.00 0.00 58.31 58.18 1pe4 n LYS 31 Cb 0.08 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 32.99 1pe4 n LYS 31 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1pe4 n LYS 32 N -4.50 1.47 -0.50 1.97 2.85 -1.04 -4.44 118.16 113.96 1pe4 n LYS 32 Ca -0.12 0.02 0.09 0.00 -1.05 0.00 0.00 58.31 57.25 1pe4 n LYS 32 Cb 0.45 -1.35 0.32 0.00 -0.65 0.00 0.00 35.03 33.80 1pe4 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pe4 n ALA 33 N -2.62 2.88 -1.02 0.58 0.00 -0.65 -4.93 120.51 114.75 1pe4 n ALA 33 Ca -0.24 -1.35 0.12 0.00 0.00 0.00 0.00 53.44 51.96 1pe4 n ALA 33 Cb 0.92 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 1.19 -1.44 3.14 0.00 0.00 0.33 -4.46 105.19 103.95 1pe4 n GLY 34 Ca 0.23 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.29 5.12 0.00 1.61 2.88 -1.26 -3.35 113.62 114.34 1pe4 n SER 35 Ca -0.01 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 1pe4 n SER 35 Cb 0.61 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1pe4 n SER 35 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1pe4 n ASP 36 N 2.18 0.00 -4.35 -3.46 8.00 -1.26 -5.06 116.55 112.60 1pe4 n ASP 36 Ca 0.24 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.34 1pe4 n ASP 36 Cb 0.37 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.36 1pe4 n ASP 36 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pe4 s TYR 37 N -0.51 3.24 -0.20 1.24 2.02 -1.26 -5.04 117.35 116.84 1pe4 s TYR 37 Ca 0.00 -1.09 -0.05 0.00 -0.37 0.00 0.00 57.07 55.57 1pe4 s TYR 37 Cb 0.00 -2.39 0.07 0.00 -0.40 0.00 0.00 41.96 39.24 1pe4 s TYR 37 CO 0.00 -0.67 0.10 0.20 -1.57 0.00 0.00 175.55 173.61 1pe4 s GLY 38 N 1.51 0.39 -0.21 0.71 0.00 -1.26 -1.01 107.32 107.45 1pe4 s GLY 38 Ca 0.01 -0.49 -0.21 0.00 0.00 0.00 0.00 44.72 44.02 1pe4 s GLY 38 CO 0.05 1.81 0.67 -0.47 0.00 0.00 0.00 173.10 175.16 1pe4 s TYR 39 N 2.13 3.35 -0.06 1.90 5.04 -0.15 -4.92 117.35 124.65 1pe4 s TYR 39 Ca 0.04 0.95 0.05 0.00 -2.44 0.00 0.00 57.07 55.67 1pe4 s TYR 39 Cb -0.16 -2.85 -0.00 0.00 0.35 0.00 0.00 41.96 39.29 1pe4 s TYR 39 CO -0.16 -0.24 -0.20 0.00 -1.34 0.00 0.00 175.55 173.62 1pe4 n TYR 41 N 3.18 -0.82 0.59 0.00 9.36 -1.20 -5.01 117.16 123.25 1pe4 n TYR 41 Ca -0.18 -0.22 0.07 0.00 3.32 0.00 0.00 57.90 60.89 1pe4 n TYR 41 Cb 0.53 0.07 0.34 0.00 -0.63 0.00 0.00 39.34 39.65 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 -2.76 1.75 -0.06 2.98 0.00 -1.23 -1.41 120.51 119.78 1pe4 n ALA 42 Ca -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1pe4 n ALA 42 Cb 0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 1pe4 n ALA 42 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1pe4 h TRP 43 N 0.00 0.00 -2.07 0.00 6.55 -1.92 0.65 115.95 119.16 1pe4 h TRP 43 Ca 0.00 0.00 0.32 0.00 0.95 0.00 0.00 58.89 60.16 1pe4 h TRP 43 Cb 0.22 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.45 1pe4 h TRP 43 CO 0.00 0.00 0.86 0.95 -1.05 0.00 0.00 178.44 179.20 1pe4 s THR 44 N -2.04 0.00 -0.64 1.49 -4.23 -1.24 -3.75 115.64 105.24 1pe4 s THR 44 Ca -0.11 -0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 59.98 1pe4 s THR 44 Cb 0.01 -2.80 0.10 0.00 1.34 0.00 0.00 72.50 71.15 1pe4 s THR 44 CO 0.16 0.00 0.81 0.00 -0.54 0.00 0.00 174.62 175.05 1pe4 s TYR 46 N 3.07 3.51 0.20 0.00 1.51 0.37 -3.05 117.35 122.95 1pe4 s TYR 46 Ca 0.16 0.87 -0.06 0.00 -1.01 0.00 0.00 57.07 57.03 1pe4 s TYR 46 Cb -0.20 -2.48 0.03 0.00 -0.11 0.00 0.00 41.96 39.19 1pe4 s TYR 46 CO 0.06 -0.48 0.37 0.00 -1.11 0.00 0.00 175.55 174.40 1pe4 s GLU 48 N -2.11 1.97 -1.25 0.00 0.41 -0.18 0.13 118.70 117.68 1pe4 s GLU 48 Ca 0.09 -1.04 -0.00 0.00 -0.41 0.00 0.00 54.97 53.60 1pe4 s GLU 48 Cb -0.02 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1pe4 s GLU 48 CO 0.07 0.52 0.88 1.58 -0.49 0.00 0.00 175.26 177.82 1pe4 n HIS 49 N 1.38 -2.09 0.00 1.61 -0.00 0.30 -4.65 115.22 111.77 1pe4 n HIS 49 Ca -0.16 0.90 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1pe4 n HIS 49 Cb 0.52 -4.80 0.00 0.00 -0.12 0.00 0.00 29.99 25.59 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 -4.21 0.00 0.14 3.57 0.31 -1.12 -4.38 118.33 112.65 1pe4 n VAL 50 Ca -0.29 -0.29 -0.06 0.00 -0.01 0.00 0.00 64.34 63.70 1pe4 n VAL 50 Cb 0.67 0.93 -0.03 0.00 -0.91 0.00 0.00 33.84 34.51 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 -0.95 -0.19 3.52 0.00 0.36 -2.30 119.26 119.69 1pe4 h ALA 51 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1pe4 h ALA 51 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1pe4 h ALA 51 CO 0.00 -0.93 0.09 -1.91 0.00 0.00 0.00 179.25 176.51 1pe4 n GLU 52 N -3.13 1.50 0.00 0.00 2.13 -1.26 -4.29 120.64 115.59 1pe4 n GLU 52 Ca -0.05 -0.69 0.00 0.00 0.66 0.00 0.00 57.16 57.09 1pe4 n GLU 52 Cb 0.15 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.45 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 0.13 0.12 3.93 8.31 0.00 -1.16 -5.03 105.19 111.49 1pe4 n GLY 53 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1pe4 n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pe4 s THR 54 N -0.76 3.34 -0.72 2.61 2.01 -0.87 -5.01 115.64 116.24 1pe4 s THR 54 Ca 0.00 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1pe4 s THR 54 Cb 0.00 -3.33 0.37 0.00 0.01 0.00 0.00 72.50 69.55 1pe4 s THR 54 CO 0.00 -0.33 1.68 0.55 -0.69 0.00 0.00 174.62 175.83 1pe4 n VAL 55 N -2.60 3.30 -1.54 3.82 3.14 -1.26 -4.78 118.33 118.42 1pe4 n VAL 55 Ca 0.05 -4.63 -0.49 0.00 -2.96 0.00 0.00 64.34 56.31 1pe4 n VAL 55 Cb 0.58 -1.27 -0.04 0.00 -1.06 0.00 0.00 33.84 32.06 1pe4 n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pe4 n LEU 56 N -0.49 0.96 0.06 6.55 -0.00 -1.26 -4.75 117.00 118.07 1pe4 n LEU 56 Ca 0.48 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 57.64 1pe4 n LEU 56 Cb 0.38 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 1pe4 n LEU 56 CO 0.45 -1.66 0.00 0.79 -0.00 0.00 0.00 177.39 176.97 1pe4 n TRP 57 N 1.01 -2.68 -3.00 1.47 5.03 -1.26 -4.71 117.44 113.30 1pe4 n TRP 57 Ca 0.15 0.42 -0.17 0.00 3.03 0.00 0.00 57.50 60.94 1pe4 n TRP 57 Cb 0.24 1.34 -0.02 0.00 -1.03 0.00 0.00 31.31 31.85 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 -1.38 1.51 0.00 6.99 0.00 -1.26 -4.30 105.19 106.75 1pe4 n GLY 58 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1pe4 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pe4 n ASP 59 N 1.65 0.00 0.12 1.61 2.03 -1.26 -4.84 116.55 115.85 1pe4 n ASP 59 Ca 0.16 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.42 1pe4 n ASP 59 Cb 0.57 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 1pe4 n ASP 59 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1pe4 h SER 60 N 0.00 -0.32 0.96 1.67 0.87 -1.92 -3.26 113.55 111.55 1pe4 h SER 60 Ca 0.00 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 1pe4 h SER 60 Cb 0.00 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1pe4 h SER 60 CO 0.00 0.10 -0.35 1.23 -0.53 0.00 0.00 176.83 177.28 1pe4 h GLY 61 N -1.04 0.00 2.00 5.77 0.00 -1.78 -2.91 103.07 105.11 1pe4 h GLY 61 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1pe4 h GLY 61 CO 0.06 0.00 0.00 -0.84 0.00 0.00 0.00 176.54 175.76 1pe4 h THR 62 N 0.00 0.00 0.00 4.70 2.02 -1.59 -3.07 112.91 114.96 1pe4 h THR 62 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1pe4 h THR 62 Cb 0.93 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1pe4 h THR 62 CO 0.05 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.55 1pe4 n GLY 63 N -0.85 -3.24 0.11 2.16 0.00 -1.10 -3.91 105.19 98.36 1pe4 n GLY 63 Ca -0.01 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 1pe4 n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pe4 h PRO 64 N 0.00 -0.15 0.00 1.61 0.13 -1.83 -3.48 132.00 128.28 1pe4 h PRO 64 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1pe4 h PRO 64 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1pe4 h PRO 64 CO 0.00 0.32 0.00 0.00 -0.23 0.00 0.00 178.00 178.09 1pe4 n ARG 66 N 0.00 -2.24 0.00 0.00 5.12 -1.23 -5.00 116.66 113.31 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 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1pe4 n ARG 66 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13