#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 -1.95 -3.60 2.89 8.00 -1.26 -0.44 116.55 120.19 1pe4 n ASP 2 Ca 0.00 -0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.08 1pe4 n ASP 2 Cb 0.00 -1.17 -0.10 0.00 -0.02 0.00 0.00 41.12 39.84 1pe4 n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pe4 n GLY 3 N 1.33 4.04 0.13 0.44 0.00 0.20 -3.80 105.19 107.53 1pe4 n GLY 3 Ca 0.02 -2.44 0.07 0.00 0.00 0.00 0.00 46.02 43.67 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 1.56 0.00 0.56 1.61 4.19 -1.26 -2.64 117.16 121.18 1pe4 n TYR 4 Ca 0.25 -0.76 0.13 0.00 3.31 0.00 0.00 57.90 60.82 1pe4 n TYR 4 Cb 0.40 -0.12 0.34 0.00 0.49 0.00 0.00 39.34 40.45 1pe4 n TYR 4 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1pe4 h PRO 5 N 0.00 0.00 -6.29 2.98 0.13 -1.96 -3.49 132.00 123.37 1pe4 h PRO 5 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1pe4 h PRO 5 Cb 1.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.15 1pe4 h PRO 5 CO 0.00 0.00 -1.06 1.47 -0.23 0.00 0.00 178.00 178.18 1pe4 n LEU 6 N -2.35 -3.76 0.00 1.56 -0.00 -1.26 -4.87 117.00 106.32 1pe4 n LEU 6 Ca 0.05 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1pe4 n LEU 6 Cb 0.45 -1.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.02 1pe4 n LEU 6 CO 0.32 -1.03 0.21 0.00 -0.00 0.00 0.00 177.39 176.89 1pe4 n ALA 7 N 0.52 0.00 -1.00 1.47 0.00 -1.26 -4.39 120.51 115.85 1pe4 n ALA 7 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1pe4 n ALA 7 Cb 0.54 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.87 -0.26 -2.98 0.00 2.88 -1.21 -4.75 113.62 106.44 1pe4 n SER 8 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1pe4 n SER 8 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1pe4 n SER 8 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pe4 n ASN 9 N -0.38 7.45 0.00 -3.46 4.05 -1.26 -4.29 115.26 117.36 1pe4 n ASN 9 Ca 0.00 -2.89 0.00 0.00 0.45 0.00 0.00 54.58 52.14 1pe4 n ASN 9 Cb 0.00 -1.40 0.00 0.00 1.23 0.00 0.00 39.78 39.61 1pe4 n ASN 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pe4 n GLY 10 N 2.19 0.60 3.61 8.20 0.00 -1.26 -4.62 105.19 113.90 1pe4 n GLY 10 Ca 0.61 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.24 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 5.12 0.00 -2.28 0.00 5.02 -1.26 -3.28 118.16 121.48 1pe4 n LYS 12 Ca -0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.12 1pe4 n LYS 12 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.52 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 -0.78 -0.39 -2.80 2.13 3.72 -1.10 -3.20 117.46 115.05 1pe4 n PHE 13 Ca 0.00 -0.45 -0.43 0.00 -0.05 0.00 0.00 57.45 56.52 1pe4 n PHE 13 Cb 0.00 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.43 1pe4 n PHE 13 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pe4 s GLY 14 N -1.71 1.46 0.00 1.37 0.00 -1.26 -3.77 107.32 103.41 1pe4 s GLY 14 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1pe4 s GLY 14 CO 0.01 2.07 0.01 0.00 0.00 0.00 0.00 173.10 175.19 1pe4 s SER 16 N -0.01 0.33 -0.22 0.00 0.01 -1.26 -3.57 113.70 108.99 1pe4 s SER 16 Ca 0.00 1.22 0.11 0.00 1.31 0.00 0.00 55.95 58.59 1pe4 s SER 16 Cb 0.00 -1.86 -0.21 0.00 0.21 0.00 0.00 66.02 64.16 1pe4 s SER 16 CO 0.00 -4.56 -0.06 0.61 0.41 0.00 0.00 173.24 169.64 1pe4 n GLY 17 N 0.81 -0.70 2.42 3.44 0.00 -1.25 -4.59 105.19 105.31 1pe4 n GLY 17 Ca 0.06 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1pe4 n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pe4 n LEU 18 N -2.94 7.84 0.00 0.99 -0.00 -1.26 -4.64 117.00 116.99 1pe4 n LEU 18 Ca -0.37 -4.06 0.00 0.00 -0.00 0.00 0.00 56.01 51.58 1pe4 n LEU 18 Cb 1.06 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1pe4 n LEU 18 CO 0.34 1.68 0.00 0.61 -0.00 0.00 0.00 177.39 180.02 1pe4 n GLY 19 N 3.68 3.36 0.56 1.47 0.00 -1.26 -4.92 105.19 108.08 1pe4 n GLY 19 Ca 0.70 -1.18 0.02 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 0.37 1.55 -1.32 1.61 -0.58 -1.26 -4.56 120.64 116.45 1pe4 n GLU 20 Ca 0.00 -0.53 -0.39 0.00 -0.42 0.00 0.00 57.16 55.82 1pe4 n GLU 20 Cb 0.00 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 1pe4 n GLU 20 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1pe4 n ASN 21 N 0.03 8.76 -2.67 1.62 5.15 -1.26 -4.07 115.26 122.81 1pe4 n ASN 21 Ca 0.05 -2.58 -0.03 0.00 -0.60 0.00 0.00 54.58 51.41 1pe4 n ASN 21 Cb 0.30 -1.56 0.10 0.00 -0.53 0.00 0.00 39.78 38.10 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 3.54 -1.26 -1.63 1.20 0.23 -1.26 -4.62 115.26 111.47 1pe4 n ASN 22 Ca 0.78 -1.91 -0.10 0.00 -0.53 0.00 0.00 54.58 52.83 1pe4 n ASN 22 Cb 0.23 1.17 0.04 0.00 -2.08 0.00 0.00 39.78 39.14 1pe4 n ASN 22 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1pe4 n PRO 23 N 0.38 1.50 0.08 -0.53 -0.04 -1.26 -2.82 135.00 132.31 1pe4 n PRO 23 Ca -0.07 -1.05 -0.22 0.00 -0.04 0.00 0.00 63.50 62.12 1pe4 n PRO 23 Cb 0.75 -1.41 -0.15 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.73 1.35 -1.33 0.52 1.35 -1.96 -3.31 112.91 110.25 1pe4 h THR 24 Ca 0.21 -2.57 0.39 0.00 -0.55 0.00 0.00 66.41 63.88 1pe4 h THR 24 Cb 1.21 3.07 -0.05 0.00 -1.73 0.00 0.00 68.15 70.65 1pe4 h THR 24 CO 0.46 0.75 1.00 0.00 -0.25 0.00 0.00 175.52 177.48 1pe4 n ASN 26 N -4.04 0.00 -0.01 0.00 3.02 -1.25 -1.82 115.26 111.17 1pe4 n ASN 26 Ca 0.29 0.91 -0.12 0.00 -0.03 0.00 0.00 54.58 55.63 1pe4 n ASN 26 Cb 1.42 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 1pe4 n ASN 26 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1pe4 h HIS 27 N 0.00 0.84 -0.61 3.10 2.07 -1.59 -2.72 115.15 116.24 1pe4 h HIS 27 Ca 0.00 -0.33 0.07 0.00 -2.85 0.00 0.00 60.37 57.26 1pe4 h HIS 27 Cb 0.00 -0.15 -0.06 0.00 2.57 0.00 0.00 27.41 29.77 1pe4 h HIS 27 CO 0.19 1.11 0.30 0.28 -3.07 0.00 0.00 177.93 176.74 1pe4 h VAL 28 N 0.48 0.90 -0.27 6.12 2.07 0.27 0.11 116.25 125.94 1pe4 h VAL 28 Ca -0.01 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1pe4 h VAL 28 Cb 1.22 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1pe4 h VAL 28 CO 0.12 0.10 -0.35 0.00 0.02 0.00 0.00 177.57 177.47 1pe4 n GLU 30 N -4.23 0.66 -0.09 0.00 -0.00 -0.96 0.96 120.64 116.97 1pe4 n GLU 30 Ca -0.04 0.02 -0.11 0.00 -0.00 0.00 0.00 57.16 57.03 1pe4 n GLU 30 Cb 0.51 -1.50 -0.04 0.00 -0.00 0.00 0.00 31.44 30.41 1pe4 n GLU 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1pe4 n LYS 31 N -1.12 0.53 -0.11 3.44 0.00 0.36 -4.21 118.16 117.06 1pe4 n LYS 31 Ca 0.17 0.23 -0.13 0.00 0.00 0.00 0.00 58.31 58.59 1pe4 n LYS 31 Cb 0.14 -1.45 -0.15 0.00 0.00 0.00 0.00 35.03 33.58 1pe4 n LYS 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1pe4 n LYS 32 N -4.45 0.68 -0.47 1.64 2.85 -1.03 -4.29 118.16 113.08 1pe4 n LYS 32 Ca -0.17 0.05 0.09 0.00 -1.05 0.00 0.00 58.31 57.23 1pe4 n LYS 32 Cb 0.54 -1.53 0.31 0.00 -0.65 0.00 0.00 35.03 33.71 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 -2.91 2.79 -1.26 0.58 0.00 -0.53 -4.93 120.51 114.25 1pe4 n ALA 33 Ca -0.37 -1.32 0.14 0.00 0.00 0.00 0.00 53.44 51.90 1pe4 n ALA 33 Cb 1.10 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 1.27 -2.21 3.44 0.00 0.00 0.27 -4.56 105.19 103.40 1pe4 n GLY 34 Ca 0.23 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1pe4 n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pe4 s SER 35 N -6.44 5.43 0.00 1.61 0.15 -1.26 -3.46 113.70 109.73 1pe4 s SER 35 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1pe4 s SER 35 Cb 0.00 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1pe4 s SER 35 CO 0.00 -0.14 0.00 -0.67 1.20 0.00 0.00 173.24 173.63 1pe4 n ASP 36 N 4.96 0.00 -4.40 5.45 -0.08 -1.26 -5.06 116.55 116.16 1pe4 n ASP 36 Ca -0.15 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.75 1pe4 n ASP 36 Cb 0.50 0.16 -0.12 0.00 2.34 0.00 0.00 41.12 43.99 1pe4 n ASP 36 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1pe4 s TYR 37 N -0.95 3.16 -0.04 -0.67 5.04 -1.26 -5.08 117.35 117.55 1pe4 s TYR 37 Ca 0.00 -0.75 0.02 0.00 -2.44 0.00 0.00 57.07 53.90 1pe4 s TYR 37 Cb 0.00 -2.31 0.01 0.00 0.35 0.00 0.00 41.96 40.01 1pe4 s TYR 37 CO 0.00 -0.51 -0.09 0.20 -1.34 0.00 0.00 175.55 173.81 1pe4 s GLY 38 N 1.56 0.60 -0.13 8.97 0.00 -1.26 -2.38 107.32 114.68 1pe4 s GLY 38 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1pe4 s GLY 38 CO 0.05 0.06 -0.13 -0.47 0.00 0.00 0.00 173.10 172.60 1pe4 s TYR 39 N 0.46 2.01 -0.27 1.90 6.14 -0.64 -5.00 117.35 121.95 1pe4 s TYR 39 Ca -0.08 -1.07 -0.02 0.00 0.64 0.00 0.00 57.07 56.54 1pe4 s TYR 39 Cb -0.12 -1.49 0.12 0.00 0.42 0.00 0.00 41.96 40.89 1pe4 s TYR 39 CO 0.01 -0.59 0.26 0.00 0.64 0.00 0.00 175.55 175.87 1pe4 n TYR 41 N 5.31 -0.39 -0.57 0.00 4.19 -1.26 -5.08 117.16 119.36 1pe4 n TYR 41 Ca -0.03 0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1pe4 n TYR 41 Cb 0.47 0.11 0.00 0.00 0.49 0.00 0.00 39.34 40.41 1pe4 n TYR 41 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1pe4 n ALA 42 N -3.36 0.00 -1.70 2.98 0.00 -1.26 -4.92 120.51 112.25 1pe4 n ALA 42 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1pe4 n ALA 42 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 2.31 -3.90 0.00 8.01 -1.26 -3.95 117.44 118.65 1pe4 n TRP 43 Ca 0.00 -2.74 -0.01 0.00 -1.31 0.00 0.00 57.50 53.43 1pe4 n TRP 43 Cb 0.00 -1.97 0.02 0.00 -2.01 0.00 0.00 31.31 27.35 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 -0.21 0.00 -0.06 -0.99 -1.32 -1.23 -3.09 115.64 108.73 1pe4 s THR 44 Ca 0.60 -0.46 -0.03 0.00 -1.21 0.00 0.00 61.69 60.59 1pe4 s THR 44 Cb 0.21 -2.86 0.04 0.00 -1.51 0.00 0.00 72.50 68.38 1pe4 s THR 44 CO -0.09 0.00 0.12 0.00 -2.21 0.00 0.00 174.62 172.44 1pe4 s TYR 46 N 2.07 3.21 0.03 0.00 1.51 0.19 -2.71 117.35 121.65 1pe4 s TYR 46 Ca 0.02 -0.12 -0.27 0.00 -1.01 0.00 0.00 57.07 55.69 1pe4 s TYR 46 Cb -0.12 -1.61 0.09 0.00 -0.11 0.00 0.00 41.96 40.21 1pe4 s TYR 46 CO -0.05 0.36 0.79 0.00 -1.11 0.00 0.00 175.55 175.54 1pe4 s GLU 48 N -3.01 4.07 -0.58 0.00 2.12 -1.00 0.62 118.70 120.91 1pe4 s GLU 48 Ca 0.02 0.66 -0.01 0.00 0.36 0.00 0.00 54.97 56.00 1pe4 s GLU 48 Cb -0.01 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 1pe4 s GLU 48 CO -0.08 0.33 0.54 0.72 -0.54 0.00 0.00 175.26 176.23 1pe4 n HIS 49 N 0.31 -2.08 0.00 5.30 8.25 0.41 -4.64 115.22 122.77 1pe4 n HIS 49 Ca -0.01 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.23 1pe4 n HIS 49 Cb 0.52 -3.46 0.00 0.00 1.12 0.00 0.00 29.99 28.17 1pe4 n HIS 49 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1pe4 n VAL 50 N -1.81 0.00 0.06 1.59 0.24 -1.22 -3.97 118.33 113.21 1pe4 n VAL 50 Ca -0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.27 1pe4 n VAL 50 Cb 0.52 -0.03 -0.01 0.00 -1.47 0.00 0.00 33.84 32.85 1pe4 n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pe4 h ALA 51 N 0.00 -0.88 -0.23 2.33 0.00 -1.75 -0.96 119.26 117.76 1pe4 h ALA 51 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1pe4 h ALA 51 Cb 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1pe4 h ALA 51 CO 0.00 -0.87 0.16 -1.91 0.00 0.00 0.00 179.25 176.62 1pe4 n GLU 52 N -2.45 1.29 0.00 0.00 2.13 -1.26 -4.44 120.64 115.92 1pe4 n GLU 52 Ca -0.02 -0.70 0.00 0.00 0.66 0.00 0.00 57.16 57.10 1pe4 n GLU 52 Cb 0.06 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.49 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 0.14 -0.35 0.00 8.31 0.00 -1.18 -4.96 105.19 107.13 1pe4 n GLY 53 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1pe4 n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pe4 n THR 54 N -1.27 0.00 -4.64 2.61 5.66 -0.37 -4.98 114.28 111.30 1pe4 n THR 54 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1pe4 n THR 54 Cb 0.00 -1.67 -0.11 0.00 -1.55 0.00 0.00 70.33 67.00 1pe4 n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1pe4 s VAL 55 N -0.31 3.66 -0.07 1.08 0.11 -1.26 -4.56 120.40 119.05 1pe4 s VAL 55 Ca 0.00 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1pe4 s VAL 55 Cb 0.00 -2.50 0.03 0.00 -1.53 0.00 0.00 36.38 32.38 1pe4 s VAL 55 CO 0.00 0.59 -0.01 -0.22 -3.33 0.00 0.00 175.10 172.13 1pe4 s LEU 56 N -0.75 0.82 0.00 2.54 1.98 -1.26 -4.98 118.68 117.03 1pe4 s LEU 56 Ca 0.11 -0.11 0.01 0.00 -2.89 0.00 0.00 54.13 51.26 1pe4 s LEU 56 Cb -0.11 -0.47 0.02 0.00 0.66 0.00 0.00 46.19 46.29 1pe4 s LEU 56 CO 0.01 -0.15 0.91 0.79 -1.89 0.00 0.00 176.35 176.02 1pe4 n TRP 57 N 4.85 0.00 0.00 5.38 5.03 -1.26 -4.68 117.44 126.76 1pe4 n TRP 57 Ca -0.12 -0.40 0.00 0.00 3.03 0.00 0.00 57.50 60.01 1pe4 n TRP 57 Cb 0.50 0.42 0.00 0.00 -1.03 0.00 0.00 31.31 31.20 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 0.02 2.16 0.00 6.99 0.00 -1.26 -4.93 105.19 108.18 1pe4 n GLY 58 Ca -0.21 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.00 -0.09 1.61 2.03 -1.19 -4.98 116.55 113.92 1pe4 n ASP 59 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1pe4 n ASP 59 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1pe4 n ASP 59 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1pe4 n SER 60 N 0.00 1.86 0.27 1.67 2.88 -1.26 -4.54 113.62 114.50 1pe4 n SER 60 Ca 0.00 0.32 0.15 0.00 -1.33 0.00 0.00 58.87 58.01 1pe4 n SER 60 Cb 0.00 -0.73 0.70 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.93 0.00 -0.50 0.46 0.00 -1.80 -3.45 103.07 96.86 1pe4 h GLY 61 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 1pe4 h GLY 61 CO -0.12 0.00 -0.05 -1.30 0.00 0.00 0.00 176.54 175.07 1pe4 n THR 62 N -3.29 0.00 0.00 4.70 -2.24 -1.25 -4.39 114.28 107.81 1pe4 n THR 62 Ca -0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1pe4 n THR 62 Cb 0.29 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1pe4 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pe4 n GLY 63 N -2.63 1.06 1.77 3.38 0.00 -1.26 -4.50 105.19 103.02 1pe4 n GLY 63 Ca 0.08 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 1.80 0.00 1.61 -0.04 -1.26 -4.93 135.00 132.18 1pe4 n PRO 64 Ca 0.00 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 1pe4 n PRO 64 Cb 0.00 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1pe4 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pe4 s ARG 66 N 0.00 1.75 0.00 0.00 0.52 -1.18 -5.02 118.95 115.02 1pe4 s ARG 66 Ca 0.00 0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1pe4 s ARG 66 Cb 0.00 -4.90 0.01 0.00 0.52 0.00 0.00 34.95 30.58 1pe4 s ARG 66 CO 0.00 -4.42 0.54 0.43 0.02 0.00 0.00 175.30 171.87