#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 -2.67 -3.73 0.55 5.68 -1.26 0.54 116.55 115.66 1pe4 n ASP 2 Ca 0.00 -0.17 -0.30 0.00 -0.50 0.00 0.00 54.79 53.82 1pe4 n ASP 2 Cb 0.00 -0.78 -0.15 0.00 -1.14 0.00 0.00 41.12 39.05 1pe4 n ASP 2 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1pe4 s GLY 3 N -1.65 1.11 0.00 6.12 0.00 0.25 -3.96 107.32 109.19 1pe4 s GLY 3 Ca 0.43 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1pe4 s GLY 3 CO 0.54 1.61 0.00 2.98 0.00 0.00 0.00 173.10 178.23 1pe4 n TYR 4 N 4.76 0.00 -1.34 1.90 9.36 -1.26 -2.69 117.16 127.88 1pe4 n TYR 4 Ca -0.01 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.08 1pe4 n TYR 4 Cb 0.42 0.02 -0.12 0.00 -0.63 0.00 0.00 39.34 39.03 1pe4 n TYR 4 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1pe4 n PRO 5 N -2.58 0.08 -0.56 2.98 -0.02 -1.26 -4.70 135.00 128.94 1pe4 n PRO 5 Ca 0.00 -0.29 -0.11 0.00 -2.02 0.00 0.00 63.50 61.09 1pe4 n PRO 5 Cb 0.44 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 1pe4 n PRO 5 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1pe4 n LEU 6 N 8.36 3.26 0.00 2.45 -0.00 -1.26 -4.88 117.00 124.92 1pe4 n LEU 6 Ca 0.39 -2.14 0.00 0.00 -0.00 0.00 0.00 56.01 54.26 1pe4 n LEU 6 Cb 0.33 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 1pe4 n LEU 6 CO 0.77 0.57 0.00 0.00 -0.00 0.00 0.00 177.39 178.73 1pe4 n ALA 7 N 3.23 0.00 -1.00 1.47 0.00 -1.26 -3.67 120.51 119.28 1pe4 n ALA 7 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1pe4 n ALA 7 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1pe4 n ALA 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pe4 n SER 8 N 0.00 0.00 -4.45 0.00 7.64 -1.22 -4.85 113.62 110.74 1pe4 n SER 8 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1pe4 n SER 8 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1pe4 n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1pe4 s ASN 9 N -1.95 6.19 -1.27 6.43 0.01 -1.26 -4.24 114.94 118.85 1pe4 s ASN 9 Ca 0.00 -0.98 -0.02 0.00 -0.71 0.00 0.00 52.86 51.14 1pe4 s ASN 9 Cb 0.00 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1pe4 s ASN 9 CO 0.00 -1.34 0.29 0.61 -1.51 0.00 0.00 177.10 175.15 1pe4 n GLY 10 N 5.29 -0.27 3.13 0.66 0.00 -1.26 0.79 105.19 113.53 1pe4 n GLY 10 Ca -0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 5.37 0.00 -0.78 0.00 0.00 -1.26 -3.38 118.16 118.11 1pe4 n LYS 12 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.24 1pe4 n LYS 12 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.46 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 -2.61 -0.27 0.00 5.64 3.72 -1.24 -2.80 117.46 119.89 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 -3.31 0.80 1.37 0.00 -1.26 -3.56 105.19 104.22 1pe4 n GLY 14 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.84 -0.10 0.00 0.00 0.15 -1.26 -3.25 113.70 108.41 1pe4 s SER 16 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1pe4 s SER 16 Cb 0.00 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1pe4 s SER 16 CO 0.00 -0.01 0.93 0.61 1.20 0.00 0.00 173.24 175.97 1pe4 n GLY 17 N 3.24 -2.98 2.12 9.45 0.00 -1.26 -2.01 105.19 113.75 1pe4 n GLY 17 Ca 0.06 0.41 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.39 5.79 0.00 0.99 -0.00 -1.26 -4.79 117.00 115.34 1pe4 n LEU 18 Ca 0.00 -3.31 0.00 0.00 -0.00 0.00 0.00 56.01 52.70 1pe4 n LEU 18 Cb 0.00 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.05 1pe4 n LEU 18 CO 0.00 1.63 0.00 0.61 -0.00 0.00 0.00 177.39 179.63 1pe4 n GLY 19 N 2.83 4.53 2.89 1.47 0.00 -0.85 -5.10 105.19 110.96 1pe4 n GLY 19 Ca 0.49 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.70 -2.63 1.61 4.71 -1.26 -4.96 120.64 117.40 1pe4 n GLU 20 Ca 0.00 -1.66 -0.42 0.00 -0.01 0.00 0.00 57.16 55.06 1pe4 n GLU 20 Cb 0.00 -0.89 -0.02 0.00 -1.01 0.00 0.00 31.44 29.52 1pe4 n GLU 20 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1pe4 s ASN 21 N -4.48 6.65 -0.46 1.62 0.02 -1.26 -4.80 114.94 112.23 1pe4 s ASN 21 Ca 0.55 -1.90 0.07 0.00 -1.02 0.00 0.00 52.86 50.55 1pe4 s ASN 21 Cb -0.02 -2.54 0.40 0.00 0.02 0.00 0.00 41.25 39.11 1pe4 s ASN 21 CO 0.38 -1.31 1.03 0.59 0.02 0.00 0.00 177.10 177.81 1pe4 n ASN 22 N 8.28 4.04 -1.75 -1.22 4.13 -1.26 -4.92 115.26 122.56 1pe4 n ASN 22 Ca 0.37 -3.55 -0.07 0.00 1.68 0.00 0.00 54.58 53.01 1pe4 n ASN 22 Cb 0.49 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 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 -0.33 1.48 0.15 3.52 -0.04 -1.26 -2.69 135.00 135.83 1pe4 n PRO 23 Ca 0.33 -0.58 0.04 0.00 -0.04 0.00 0.00 63.50 63.25 1pe4 n PRO 23 Cb 0.61 -1.45 0.04 0.00 -0.04 0.00 0.00 33.50 32.66 1pe4 n PRO 23 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pe4 h THR 24 N 1.40 0.64 -0.13 0.52 2.02 -1.95 -3.34 112.91 112.06 1pe4 h THR 24 Ca 0.11 -1.93 0.05 0.00 0.77 0.00 0.00 66.41 65.41 1pe4 h THR 24 Cb 1.17 2.28 -0.06 0.00 -1.74 0.00 0.00 68.15 69.80 1pe4 h THR 24 CO 0.18 0.36 -0.28 0.00 0.37 0.00 0.00 175.52 176.15 1pe4 h ASN 26 N -0.35 -0.47 0.34 0.00 2.35 -1.94 0.66 115.58 116.17 1pe4 h ASN 26 Ca 0.10 0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 1pe4 h ASN 26 Cb 0.51 0.38 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1pe4 h ASN 26 CO -0.33 -0.20 -0.16 0.45 -1.65 0.00 0.00 177.43 175.53 1pe4 h HIS 27 N 0.06 -0.43 0.12 1.19 3.86 -1.58 -2.25 115.15 116.12 1pe4 h HIS 27 Ca 0.39 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.60 1pe4 h HIS 27 Cb 0.66 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 1pe4 h HIS 27 CO -0.48 -0.17 -0.47 0.28 0.86 0.00 0.00 177.93 177.95 1pe4 h VAL 28 N -1.06 0.00 -0.82 2.45 2.07 0.17 0.56 116.25 119.62 1pe4 h VAL 28 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1pe4 h VAL 28 Cb 0.45 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 1pe4 h VAL 28 CO 0.08 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.10 1pe4 n GLU 30 N -4.83 0.77 -0.03 0.00 2.13 -0.80 0.14 120.64 118.02 1pe4 n GLU 30 Ca 0.15 0.01 -0.02 0.00 0.66 0.00 0.00 57.16 57.95 1pe4 n GLU 30 Cb 0.36 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.57 1pe4 n GLU 30 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1pe4 n LYS 31 N -1.08 0.21 -0.11 5.31 4.81 0.19 -4.21 118.16 123.29 1pe4 n LYS 31 Ca 0.19 0.31 -0.13 0.00 -0.87 0.00 0.00 58.31 57.81 1pe4 n LYS 31 Cb 0.13 -1.12 -0.14 0.00 0.02 0.00 0.00 35.03 33.92 1pe4 n LYS 31 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1pe4 n LYS 32 N -3.33 0.67 -0.41 1.64 2.85 -0.92 -4.31 118.16 114.36 1pe4 n LYS 32 Ca -0.04 0.07 0.10 0.00 -1.05 0.00 0.00 58.31 57.39 1pe4 n LYS 32 Cb 0.14 -1.53 0.30 0.00 -0.65 0.00 0.00 35.03 33.29 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 -2.96 2.60 -0.61 0.58 0.00 -0.78 -5.05 120.51 114.30 1pe4 n ALA 33 Ca -0.38 -1.23 0.07 0.00 0.00 0.00 0.00 53.44 51.91 1pe4 n ALA 33 Cb 1.09 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 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 1.39 -0.77 3.22 0.00 0.00 0.38 -4.67 105.19 104.74 1pe4 n GLY 34 Ca 0.22 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1pe4 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pe4 s SER 35 N -3.76 4.80 0.02 1.61 1.04 -1.26 -3.40 113.70 112.75 1pe4 s SER 35 Ca 0.00 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1pe4 s SER 35 Cb 0.00 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.38 1pe4 s SER 35 CO 0.00 -0.22 0.00 -0.90 0.98 0.00 0.00 173.24 173.10 1pe4 n ASP 36 N 4.70 -0.19 -4.42 7.02 5.75 -1.26 -5.08 116.55 123.06 1pe4 n ASP 36 Ca -0.14 0.05 -0.37 0.00 -0.01 0.00 0.00 54.79 54.31 1pe4 n ASP 36 Cb 0.45 0.53 -0.12 0.00 -1.03 0.00 0.00 41.12 40.96 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 -1.06 3.13 0.34 2.11 1.51 -1.26 -5.07 117.35 117.06 1pe4 s TYR 37 Ca 0.00 -0.60 -0.10 0.00 -1.01 0.00 0.00 57.07 55.36 1pe4 s TYR 37 Cb 0.00 -2.29 0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1pe4 s TYR 37 CO 0.00 -0.44 0.61 0.20 -1.11 0.00 0.00 175.55 174.80 1pe4 s GLY 38 N 1.59 0.83 -0.29 0.71 0.00 -1.26 -1.01 107.32 107.89 1pe4 s GLY 38 Ca 0.05 -1.06 -0.18 0.00 0.00 0.00 0.00 44.72 43.52 1pe4 s GLY 38 CO 0.04 -0.63 1.03 -0.47 0.00 0.00 0.00 173.10 173.07 1pe4 s TYR 39 N -2.99 -0.50 -0.08 1.90 5.04 -0.98 -4.86 117.35 114.88 1pe4 s TYR 39 Ca 0.23 1.05 0.04 0.00 -2.44 0.00 0.00 57.07 55.94 1pe4 s TYR 39 Cb -0.03 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1pe4 s TYR 39 CO 0.14 -0.25 -0.19 0.00 -1.34 0.00 0.00 175.55 173.92 1pe4 n TYR 41 N 3.56 0.00 0.00 0.00 9.36 -1.25 -5.04 117.16 123.78 1pe4 n TYR 41 Ca -0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.02 1pe4 n TYR 41 Cb 0.52 0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 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 -1.34 0.00 1.46 2.98 0.00 -1.26 -4.83 120.51 117.52 1pe4 n ALA 42 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1pe4 n ALA 42 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 0.22 -4.10 0.00 7.02 -1.26 -3.98 117.44 115.35 1pe4 n TRP 43 Ca 0.00 -0.11 -0.27 0.00 -1.02 0.00 0.00 57.50 56.10 1pe4 n TRP 43 Cb 0.00 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 1pe4 n TRP 43 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1pe4 s THR 44 N -1.78 4.36 -0.17 -0.99 -1.32 -1.20 -3.86 115.64 110.68 1pe4 s THR 44 Ca 0.12 -1.12 0.01 0.00 -1.21 0.00 0.00 61.69 59.49 1pe4 s THR 44 Cb 0.06 -3.21 0.02 0.00 -1.51 0.00 0.00 72.50 67.86 1pe4 s THR 44 CO 0.08 -0.09 -0.20 0.00 -2.21 0.00 0.00 174.62 172.20 1pe4 s TYR 46 N 1.25 3.39 0.20 0.00 5.04 0.39 -3.72 117.35 123.91 1pe4 s TYR 46 Ca 0.04 1.21 -0.23 0.00 -2.44 0.00 0.00 57.07 55.65 1pe4 s TYR 46 Cb -0.13 -2.54 0.05 0.00 0.35 0.00 0.00 41.96 39.68 1pe4 s TYR 46 CO -0.12 0.01 0.81 0.00 -1.34 0.00 0.00 175.55 174.92 1pe4 s GLU 48 N -3.61 3.00 -0.39 0.00 2.12 -0.18 0.85 118.70 120.49 1pe4 s GLU 48 Ca 0.10 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 1pe4 s GLU 48 Cb -0.03 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.78 1pe4 s GLU 48 CO 0.02 0.45 0.12 1.58 -0.54 0.00 0.00 175.26 176.89 1pe4 n HIS 49 N 2.85 -0.43 0.00 5.30 -0.00 0.19 -4.77 115.22 118.36 1pe4 n HIS 49 Ca -0.18 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1pe4 n HIS 49 Cb 0.53 -1.82 0.00 0.00 -0.12 0.00 0.00 29.99 28.57 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 -3.64 0.00 0.23 3.57 0.31 -1.25 -4.64 118.33 112.92 1pe4 n VAL 50 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.36 1pe4 n VAL 50 Cb 0.53 -0.81 0.54 0.00 -0.91 0.00 0.00 33.84 33.19 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 1.75 -3.00 3.52 0.00 -1.80 -3.30 119.26 116.43 1pe4 h ALA 51 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pe4 h ALA 51 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1pe4 h ALA 51 CO 0.00 0.17 0.00 -1.91 0.00 0.00 0.00 179.25 177.51 1pe4 n GLU 52 N -4.35 2.57 -0.48 0.00 4.07 -1.26 -4.65 120.64 116.55 1pe4 n GLU 52 Ca -0.03 0.00 0.38 0.00 -0.06 0.00 0.00 57.16 57.45 1pe4 n GLU 52 Cb 0.21 0.00 0.61 0.00 -0.06 0.00 0.00 31.44 32.20 1pe4 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pe4 n GLY 53 N 1.88 -0.75 3.69 8.31 0.00 -1.26 -4.49 105.19 112.57 1pe4 n GLY 53 Ca 0.00 0.60 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.77 2.49 0.09 2.61 2.01 -1.24 -5.03 115.64 111.81 1pe4 s THR 54 Ca -0.05 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1pe4 s THR 54 Cb 0.24 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1pe4 s THR 54 CO 0.70 -0.21 0.29 0.68 -0.69 0.00 0.00 174.62 175.39 1pe4 s VAL 55 N -2.74 5.28 -0.47 3.82 -7.23 -1.26 -4.66 120.40 113.15 1pe4 s VAL 55 Ca 0.65 -0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.73 1pe4 s VAL 55 Cb -0.21 -3.62 0.29 0.00 0.56 0.00 0.00 36.38 33.40 1pe4 s VAL 55 CO 0.58 0.12 1.01 0.00 -0.31 0.00 0.00 175.10 176.50 1pe4 n LEU 56 N 0.29 -2.55 -2.65 1.32 -0.00 -1.26 -4.94 117.00 107.22 1pe4 n LEU 56 Ca -0.05 -3.55 -0.37 0.00 -0.00 0.00 0.00 56.01 52.04 1pe4 n LEU 56 Cb 0.51 0.89 0.06 0.00 -0.00 0.00 0.00 43.42 44.88 1pe4 n LEU 56 CO 0.49 2.05 1.47 0.79 -0.00 0.00 0.00 177.39 182.19 1pe4 n TRP 57 N 0.92 3.10 -0.46 1.47 5.03 -1.26 -4.29 117.44 121.95 1pe4 n TRP 57 Ca 0.08 -2.64 0.00 0.00 3.03 0.00 0.00 57.50 57.96 1pe4 n TRP 57 Cb 0.67 -1.27 0.00 0.00 -1.03 0.00 0.00 31.31 29.68 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 -0.70 -2.63 0.00 6.99 0.00 -1.13 -4.95 105.19 102.77 1pe4 n GLY 58 Ca 0.57 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.04 1.61 2.03 -1.12 -4.84 116.55 114.20 1pe4 n ASP 59 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 1pe4 n ASP 59 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 1pe4 n ASP 59 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1pe4 h SER 60 N 0.00 0.15 0.50 1.67 0.02 -1.88 -3.28 113.55 110.74 1pe4 h SER 60 Ca 0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1pe4 h SER 60 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1pe4 h SER 60 CO 0.00 1.20 0.00 0.61 -1.14 0.00 0.00 176.83 177.50 1pe4 n GLY 61 N 1.62 -1.05 0.00 -3.77 0.00 -1.26 -3.90 105.19 96.83 1pe4 n GLY 61 Ca -0.14 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1pe4 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pe4 n THR 62 N -1.87 0.00 0.00 2.61 -2.24 -1.25 -4.70 114.28 106.83 1pe4 n THR 62 Ca 0.02 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1pe4 n THR 62 Cb 0.17 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 2.40 3.14 0.26 3.38 0.00 -1.24 -0.03 105.19 113.10 1pe4 n GLY 63 Ca 0.00 0.27 0.18 0.00 0.00 0.00 0.00 46.02 46.47 1pe4 n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pe4 h PRO 64 N 0.00 0.00 -2.33 1.61 0.11 -1.93 -3.48 132.00 125.98 1pe4 h PRO 64 Ca 0.00 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.37 1pe4 h PRO 64 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 1pe4 h PRO 64 CO 0.00 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 177.17 1pe4 n ARG 66 N -3.74 0.85 -0.58 0.00 5.12 -1.16 -5.01 116.66 112.14 1pe4 n ARG 66 Ca -0.03 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1pe4 n ARG 66 Cb 0.47 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 1pe4 n ARG 66 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13