#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4j n SER 2 N 0.00 1.81 -4.49 1.61 2.88 -1.26 -4.92 113.62 109.26 1x4j n SER 2 Ca 0.00 0.62 -0.34 0.00 -1.33 0.00 0.00 58.87 57.83 1x4j n SER 2 Cb 0.00 -0.87 -0.12 0.00 -0.75 0.00 0.00 64.21 62.47 1x4j n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4j s SER 3 N -5.76 4.72 0.24 -3.46 0.15 -1.26 -4.92 113.70 103.40 1x4j s SER 3 Ca -0.16 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1x4j s SER 3 Cb 0.02 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1x4j s SER 3 CO 0.23 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1x4j n GLY 4 N 3.53 -0.92 4.45 9.45 0.00 -1.26 -5.02 105.19 115.42 1x4j n GLY 4 Ca -0.17 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1x4j n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4j n SER 5 N -3.06 -1.42 -0.05 1.61 2.88 -1.26 -4.81 113.62 107.50 1x4j n SER 5 Ca 0.00 -1.22 -0.14 0.00 -1.33 0.00 0.00 58.87 56.17 1x4j n SER 5 Cb 0.00 -1.56 -0.12 0.00 -0.75 0.00 0.00 64.21 61.77 1x4j n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x4j h SER 6 N -0.97 0.04 0.00 -3.46 0.02 -1.99 -3.47 113.55 103.72 1x4j h SER 6 Ca -0.59 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 59.46 1x4j h SER 6 Cb 1.36 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1x4j h SER 6 CO 0.85 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 178.09 1x4j n GLY 7 N 1.33 0.13 3.61 -3.77 0.00 -1.26 -5.10 105.19 100.14 1x4j n GLY 7 Ca -0.10 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1x4j n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4j s GLN 8 N -0.98 4.01 0.79 1.61 -1.52 -1.26 -5.06 119.66 117.25 1x4j s GLN 8 Ca 0.00 -0.17 -0.16 0.00 -1.95 0.00 0.00 55.36 53.08 1x4j s GLN 8 Cb 0.00 -3.63 -0.04 0.00 -0.22 0.00 0.00 33.01 29.12 1x4j s GLN 8 CO 0.00 -0.15 0.30 1.28 -0.25 0.00 0.00 175.29 176.47 1x4j n LEU 9 N 4.93 -0.53 -4.63 2.90 4.77 -1.26 -4.70 117.00 118.48 1x4j n LEU 9 Ca -0.12 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 55.92 1x4j n LEU 9 Cb 0.52 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 1x4j n LEU 9 CO 0.35 -3.69 1.38 -2.16 -1.33 0.00 0.00 177.39 171.93 1x4j s PRO 10 N -2.74 3.75 -0.10 3.23 0.04 -1.26 -4.99 135.00 132.94 1x4j s PRO 10 Ca 0.60 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 1x4j s PRO 10 Cb -0.31 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 1x4j s PRO 10 CO 0.64 -1.35 0.52 -1.12 0.04 0.00 0.00 177.00 175.73 1x4j s SER 11 N 4.37 6.76 0.12 6.66 0.01 -1.26 -4.55 113.70 125.81 1x4j s SER 11 Ca 0.72 0.91 -0.23 0.00 1.31 0.00 0.00 55.95 58.65 1x4j s SER 11 Cb -0.24 -2.31 0.07 0.00 0.21 0.00 0.00 66.02 63.74 1x4j s SER 11 CO 0.30 0.00 0.59 -0.72 0.41 0.00 0.00 173.24 173.82 1x4j s TYR 12 N 0.53 -0.52 0.12 2.43 1.13 -1.26 -5.06 117.35 114.72 1x4j s TYR 12 Ca 0.28 0.41 -0.22 0.00 -1.41 0.00 0.00 57.07 56.14 1x4j s TYR 12 Cb -0.16 0.50 -0.07 0.00 -1.10 0.00 0.00 41.96 41.13 1x4j s TYR 12 CO 0.12 -0.79 0.66 1.03 -2.51 0.00 0.00 175.55 174.07 1x4j s ARG 13 N -3.31 4.36 -0.33 -3.49 0.52 -1.26 -2.29 118.95 113.16 1x4j s ARG 13 Ca -0.01 0.93 -0.41 0.00 -0.52 0.00 0.00 55.73 55.72 1x4j s ARG 13 Cb -0.01 -3.24 -0.16 0.00 0.52 0.00 0.00 34.95 32.06 1x4j s ARG 13 CO -0.09 0.61 1.78 0.34 0.02 0.00 0.00 175.30 177.95 1x4j n PHE 14 N 1.64 1.95 -3.51 -0.53 -0.00 0.04 -4.76 117.46 112.28 1x4j n PHE 14 Ca -0.08 0.62 -0.42 0.00 -0.00 0.00 0.00 57.45 57.56 1x4j n PHE 14 Cb 0.50 -2.43 -0.09 0.00 -0.00 0.00 0.00 39.48 37.47 1x4j n PHE 14 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1x4j s ASN 15 N 3.88 5.86 0.00 -2.13 0.02 -1.26 -2.86 114.94 118.44 1x4j s ASN 15 Ca 1.01 -1.48 0.09 0.00 -1.02 0.00 0.00 52.86 51.46 1x4j s ASN 15 Cb -1.14 -2.07 0.52 0.00 0.02 0.00 0.00 41.25 38.58 1x4j s ASN 15 CO 0.67 -0.60 0.97 -0.81 0.02 0.00 0.00 177.10 177.35 1x4j n PRO 16 N 5.04 0.49 -0.06 -0.60 -0.04 -1.26 -2.86 135.00 135.71 1x4j n PRO 16 Ca -0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 1x4j n PRO 16 Cb 0.43 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 1x4j n PRO 16 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1x4j n ASN 17 N -0.78 1.98 -1.98 3.54 2.85 -1.26 -4.20 115.26 115.41 1x4j n ASN 17 Ca 0.07 0.33 -0.20 0.00 -0.11 0.00 0.00 54.58 54.67 1x4j n ASN 17 Cb 0.03 -0.92 0.12 0.00 1.24 0.00 0.00 39.78 40.25 1x4j n ASN 17 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1x4j n ASN 18 N -4.03 4.30 -2.33 1.20 6.94 -1.13 -4.68 115.26 115.53 1x4j n ASN 18 Ca -0.32 -3.28 -0.20 0.00 -0.02 0.00 0.00 54.58 50.76 1x4j n ASN 18 Cb 0.84 -0.81 -0.12 0.00 -2.36 0.00 0.00 39.78 37.33 1x4j n ASN 18 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1x4j n HIS 19 N -0.68 0.75 -0.19 -2.53 -0.00 -1.24 -4.59 115.22 106.74 1x4j n HIS 19 Ca 0.46 -1.84 0.12 0.00 0.46 0.00 0.00 57.72 56.92 1x4j n HIS 19 Cb 1.24 -1.67 0.43 0.00 -0.12 0.00 0.00 29.99 29.87 1x4j n HIS 19 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1x4j h GLN 20 N 3.31 0.56 -5.53 1.57 3.07 -1.93 -3.39 115.11 112.77 1x4j h GLN 20 Ca 0.34 -0.03 -0.60 0.00 0.09 0.00 0.00 58.65 58.44 1x4j h GLN 20 Cb 1.15 -0.13 -0.11 0.00 0.08 0.00 0.00 27.48 28.47 1x4j h GLN 20 CO 0.61 0.37 -0.01 0.45 0.09 0.00 0.00 178.83 180.34 1x4j s SER 21 N -5.99 6.56 -0.10 0.06 0.15 -1.26 -4.94 113.70 108.18 1x4j s SER 21 Ca -0.09 0.68 0.12 0.00 0.70 0.00 0.00 55.95 57.36 1x4j s SER 21 Cb 0.21 -2.30 0.54 0.00 -1.71 0.00 0.00 66.02 62.76 1x4j s SER 21 CO 0.77 -0.21 1.39 -1.84 1.20 0.00 0.00 173.24 174.56 1x4j n GLU 22 N 4.93 3.19 -0.29 5.44 0.28 -1.26 -3.91 120.64 129.02 1x4j n GLU 22 Ca -0.04 -2.12 0.08 0.00 -0.16 0.00 0.00 57.16 54.91 1x4j n GLU 22 Cb 0.50 -1.80 0.20 0.00 1.43 0.00 0.00 31.44 31.77 1x4j n GLU 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4j n GLN 23 N 0.69 2.57 -2.09 3.44 -0.00 -1.26 -4.97 117.38 115.76 1x4j n GLN 23 Ca 0.19 -2.56 -0.39 0.00 -0.00 0.00 0.00 57.00 54.24 1x4j n GLN 23 Cb 0.74 -1.62 -0.03 0.00 -0.00 0.00 0.00 30.24 29.34 1x4j n GLN 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1x4j s THR 24 N -2.41 3.40 -0.04 -0.39 -4.23 -1.25 -4.94 115.64 105.78 1x4j s THR 24 Ca 0.34 0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1x4j s THR 24 Cb 0.27 -4.02 0.01 0.00 1.34 0.00 0.00 72.50 70.10 1x4j s THR 24 CO 0.08 -0.98 0.12 -0.22 -0.54 0.00 0.00 174.62 173.09 1x4j s LEU 25 N 8.66 1.54 -0.71 4.79 0.20 -1.26 -4.03 118.68 127.88 1x4j s LEU 25 Ca 0.65 0.20 -0.26 0.00 0.69 0.00 0.00 54.13 55.41 1x4j s LEU 25 Cb -0.12 0.43 -0.01 0.00 -0.43 0.00 0.00 46.19 46.06 1x4j s LEU 25 CO 0.21 -0.07 1.76 0.00 -0.29 0.00 0.00 176.35 177.95 1x4j h VAL 27 N 6.81 0.77 0.19 0.00 3.04 -1.85 1.30 116.25 126.50 1x4j h VAL 27 Ca -0.17 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 1x4j h VAL 27 Cb 1.11 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1x4j h VAL 27 CO 1.24 0.06 -0.13 0.58 -1.01 0.00 0.00 177.57 178.30 1x4j h VAL 28 N 0.32 0.00 -0.68 1.51 2.07 -1.89 -3.12 116.25 114.46 1x4j h VAL 28 Ca 0.36 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.71 1x4j h VAL 28 Cb 0.94 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.60 1x4j h VAL 28 CO -0.10 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.71 1x4j n MET 30 N 0.01 -0.93 -4.53 0.00 0.00 0.44 -4.89 117.12 107.23 1x4j n MET 30 Ca 0.37 0.07 -0.22 0.00 0.00 0.00 0.00 57.70 57.92 1x4j n MET 30 Cb 1.30 -2.67 -0.15 0.00 0.00 0.00 0.00 33.22 31.70 1x4j n MET 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x4j s ASP 32 N 0.05 0.05 -0.00 0.00 1.47 -1.26 0.16 116.67 117.14 1x4j s ASP 32 Ca -0.01 1.11 -0.00 0.00 1.18 0.00 0.00 52.55 54.82 1x4j s ASP 32 Cb -0.08 -1.66 -0.04 0.00 -0.34 0.00 0.00 42.92 40.80 1x4j s ASP 32 CO 0.01 -4.72 0.08 -0.36 0.68 0.00 0.00 175.17 170.86 1x4j s PHE 33 N -2.44 3.29 -0.05 2.11 0.08 -1.26 -4.66 117.98 115.05 1x4j s PHE 33 Ca 0.69 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.95 1x4j s PHE 33 Cb -0.18 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1x4j s PHE 33 CO 0.61 0.55 -0.06 -2.00 -0.10 0.00 0.00 175.22 174.22 1x4j s GLU 34 N -1.74 2.73 0.68 0.44 2.56 -1.26 -5.10 118.70 117.01 1x4j s GLU 34 Ca 0.23 -0.58 -0.17 0.00 0.00 0.00 0.00 54.97 54.46 1x4j s GLU 34 Cb -0.12 -2.59 -0.02 0.00 2.00 0.00 0.00 34.13 33.40 1x4j s GLU 34 CO 0.14 0.65 0.91 -1.13 -0.56 0.00 0.00 175.26 175.27 1x4j n SER 35 N 2.01 0.35 -3.13 -1.70 3.41 -1.26 -3.50 113.62 109.80 1x4j n SER 35 Ca -0.17 0.70 -0.14 0.00 -0.26 0.00 0.00 58.87 59.00 1x4j n SER 35 Cb 0.53 -1.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.17 1x4j n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4j n ARG 36 N -1.44 -4.03 -3.78 4.33 3.00 -1.14 -4.88 116.66 108.72 1x4j n ARG 36 Ca 0.13 0.77 -0.13 0.00 -0.01 0.00 0.00 57.85 58.61 1x4j n ARG 36 Cb 0.49 -5.46 -0.13 0.00 0.00 0.00 0.00 32.46 27.36 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1x4j s GLN 37 N -4.74 0.20 -0.58 5.56 -1.52 -1.23 -4.85 119.66 112.49 1x4j s GLN 37 Ca 0.20 0.32 -0.27 0.00 -1.95 0.00 0.00 55.36 53.66 1x4j s GLN 37 Cb -0.03 0.02 -0.01 0.00 -0.22 0.00 0.00 33.01 32.78 1x4j s GLN 37 CO 0.66 -0.07 1.67 -1.17 -0.25 0.00 0.00 175.29 176.12 1x4j s LEU 38 N 0.47 3.33 0.08 2.90 2.96 -1.26 -0.78 118.68 126.37 1x4j s LEU 38 Ca -0.03 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 1x4j s LEU 38 Cb -0.05 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1x4j s LEU 38 CO -0.02 -2.07 -0.14 -0.76 -1.32 0.00 0.00 176.35 172.04 1x4j s LEU 39 N 7.64 2.84 -0.22 -0.68 1.43 -0.97 -2.79 118.68 125.94 1x4j s LEU 39 Ca 0.61 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1x4j s LEU 39 Cb -0.13 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1x4j s LEU 39 CO 0.22 0.21 0.02 -0.13 0.23 0.00 0.00 176.35 176.91 1x4j s ARG 40 N -1.88 3.60 -0.36 1.70 1.81 -0.56 -4.06 118.95 119.21 1x4j s ARG 40 Ca 0.18 -0.51 -0.18 0.00 -1.72 0.00 0.00 55.73 53.49 1x4j s ARG 40 Cb -0.11 -3.17 -0.00 0.00 -0.45 0.00 0.00 34.95 31.22 1x4j s ARG 40 CO 0.10 -0.09 0.53 0.08 -0.68 0.00 0.00 175.30 175.23 1x4j s VAL 41 N 1.30 5.00 0.88 3.52 1.01 -1.26 -1.71 120.40 129.13 1x4j s VAL 41 Ca 0.04 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1x4j s VAL 41 Cb -0.15 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 32.36 1x4j s VAL 41 CO 0.02 -0.26 1.10 0.18 0.00 0.00 0.00 175.10 176.13 1x4j n LEU 42 N 5.80 3.37 0.00 3.92 4.77 0.14 -4.84 117.00 130.16 1x4j n LEU 42 Ca -0.04 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.43 1x4j n LEU 42 Cb 0.49 -1.46 0.15 0.00 -2.33 0.00 0.00 43.42 40.27 1x4j n LEU 42 CO 0.46 -2.14 0.38 -0.81 -1.33 0.00 0.00 177.39 173.95 1x4j n PRO 43 N -3.67 0.49 -0.45 3.23 -0.04 -1.26 -2.26 135.00 131.04 1x4j n PRO 43 Ca 0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1x4j n PRO 43 Cb 0.52 -1.16 0.21 0.00 -0.04 0.00 0.00 33.50 33.03 1x4j n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4j n ASN 45 N -0.92 -3.45 -3.88 0.00 3.02 -0.96 -5.04 115.26 104.04 1x4j n ASN 45 Ca 0.23 -0.56 -0.15 0.00 -0.03 0.00 0.00 54.58 54.07 1x4j n ASN 45 Cb 0.86 -4.47 -0.15 0.00 -0.61 0.00 0.00 39.78 35.41 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1x4j s HIS 46 N -3.32 0.28 0.11 3.10 3.76 -1.24 -4.98 115.29 113.01 1x4j s HIS 46 Ca 0.14 -0.03 -0.13 0.00 -0.15 0.00 0.00 55.06 54.88 1x4j s HIS 46 Cb -0.02 -0.26 -0.07 0.00 1.11 0.00 0.00 32.58 33.35 1x4j s HIS 46 CO 0.62 -0.05 0.50 -1.21 -0.85 0.00 0.00 174.74 173.76 1x4j s GLU 47 N 0.34 3.93 0.23 1.40 2.02 -1.26 0.25 118.70 125.62 1x4j s GLU 47 Ca -0.03 0.42 -0.11 0.00 0.02 0.00 0.00 54.97 55.26 1x4j s GLU 47 Cb -0.06 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 1x4j s GLU 47 CO -0.01 0.52 0.43 -0.06 0.02 0.00 0.00 175.26 176.17 1x4j s PHE 48 N -1.40 0.43 -0.24 1.61 0.08 -0.70 -4.59 117.98 113.18 1x4j s PHE 48 Ca 0.35 -0.78 -0.22 0.00 0.12 0.00 0.00 56.93 56.40 1x4j s PHE 48 Cb -0.15 0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.38 1x4j s PHE 48 CO 0.18 -0.93 0.72 -1.01 -0.10 0.00 0.00 175.22 174.08 1x4j s HIS 49 N -4.02 3.31 0.59 0.36 3.76 -1.26 -1.50 115.29 116.53 1x4j s HIS 49 Ca 0.23 0.98 0.36 0.00 -0.15 0.00 0.00 55.06 56.48 1x4j s HIS 49 Cb 0.00 -2.92 1.27 0.00 1.11 0.00 0.00 32.58 32.04 1x4j s HIS 49 CO 0.08 -0.33 1.44 0.00 -0.85 0.00 0.00 174.74 175.09 1x4j h ALA 50 N 7.73 3.29 0.04 -1.40 0.00 -1.83 0.62 119.26 127.71 1x4j h ALA 50 Ca -0.26 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 1x4j h ALA 50 Cb 1.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1x4j h ALA 50 CO 0.81 -1.96 -1.28 1.57 0.00 0.00 0.00 179.25 178.39 1x4j h LYS 51 N 0.00 0.09 0.00 0.00 2.10 -1.91 -3.31 116.57 113.55 1x4j h LYS 51 Ca 0.65 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1x4j h LYS 51 Cb 3.16 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 34.55 1x4j h LYS 51 CO -0.01 1.08 0.00 0.00 -2.00 0.00 0.00 179.45 178.52 1x4j n VAL 53 N -1.31 -0.37 -0.21 0.00 3.14 -0.45 0.18 118.33 119.31 1x4j n VAL 53 Ca 0.00 1.80 -0.01 0.00 -2.96 0.00 0.00 64.34 63.16 1x4j n VAL 53 Cb 0.00 -2.89 0.10 0.00 -1.06 0.00 0.00 33.84 29.99 1x4j n VAL 53 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1x4j h ASP 54 N 0.00 0.38 -0.17 6.55 1.82 -1.63 0.35 116.42 123.71 1x4j h ASP 54 Ca 0.72 0.05 -0.12 0.00 -0.39 0.00 0.00 57.03 57.29 1x4j h ASP 54 Cb 1.88 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.88 1x4j h ASP 54 CO -0.69 0.24 -0.38 0.50 -1.61 0.00 0.00 179.24 177.30 1x4j h LYS 55 N 0.53 0.56 -0.73 0.28 3.11 0.21 -2.89 116.57 117.63 1x4j h LYS 55 Ca 0.29 -0.37 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 1x4j h LYS 55 Cb 0.27 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.51 1x4j h LYS 55 CO -0.23 0.98 0.40 2.35 -2.81 0.00 0.00 179.45 180.14 1x4j h TRP 56 N 0.21 0.99 0.00 1.91 2.91 -0.80 -1.48 115.95 119.69 1x4j h TRP 56 Ca 0.00 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 1x4j h TRP 56 Cb 0.98 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 1x4j h TRP 56 CO 0.10 0.69 -0.20 -0.07 -1.03 0.00 0.00 178.44 177.93 1x4j h LEU 57 N 1.02 0.00 -0.22 0.65 3.38 -0.30 0.31 115.31 120.14 1x4j h LEU 57 Ca 0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 1x4j h LEU 57 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1x4j h LEU 57 CO -0.04 0.20 -0.26 0.11 0.09 0.00 0.00 178.44 178.54 1x4j h LYS 58 N 0.00 0.57 0.10 1.13 1.57 -1.06 -3.33 116.57 115.55 1x4j h LYS 58 Ca -0.00 -0.32 -0.22 0.00 -1.87 0.00 0.00 60.65 58.25 1x4j h LYS 58 Cb 0.56 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1x4j h LYS 58 CO 0.03 0.91 -1.07 0.00 -0.57 0.00 0.00 179.45 178.75 1x4j h ALA 59 N 0.65 0.08 -3.29 3.86 0.00 -1.33 -3.46 119.26 115.78 1x4j h ALA 59 Ca 0.03 -0.92 -0.49 0.00 0.00 0.00 0.00 54.91 53.53 1x4j h ALA 59 Cb 0.83 0.33 -0.36 0.00 0.00 0.00 0.00 17.79 18.59 1x4j h ALA 59 CO 0.06 0.59 -0.80 -0.80 0.00 0.00 0.00 179.25 178.31 1x4j s ASN 60 N -6.92 1.82 -0.09 0.00 0.01 0.11 -5.01 114.94 104.86 1x4j s ASN 60 Ca -0.19 -0.25 -0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1x4j s ASN 60 Cb 0.03 -0.73 0.07 0.00 0.41 0.00 0.00 41.25 41.03 1x4j s ASN 60 CO 0.76 -0.08 1.85 -2.11 -1.51 0.00 0.00 177.10 176.01 1x4j n ARG 61 N 4.58 1.23 -4.45 -0.60 0.00 -1.25 -3.44 116.66 112.72 1x4j n ARG 61 Ca -0.16 -0.46 -0.23 0.00 -0.00 0.00 0.00 57.85 57.00 1x4j n ARG 61 Cb 0.51 -1.18 -0.09 0.00 -0.00 0.00 0.00 32.46 31.70 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1x4j s THR 62 N -0.65 0.63 -0.19 8.89 -4.23 -1.26 -3.50 115.64 115.33 1x4j s THR 62 Ca 0.09 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 1x4j s THR 62 Cb 0.07 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1x4j s THR 62 CO 0.00 0.00 0.59 0.00 -0.54 0.00 0.00 174.62 174.67 1x4j n PRO 64 N 4.81 0.49 0.02 0.00 -0.04 -1.26 0.11 135.00 139.13 1x4j n PRO 64 Ca -0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1x4j n PRO 64 Cb 0.50 -1.01 -0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1x4j n PRO 64 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1x4j n ILE 65 N -0.46 0.68 -0.95 0.52 5.41 -1.26 -4.84 119.36 118.47 1x4j n ILE 65 Ca 0.00 0.23 0.08 0.00 1.00 0.00 0.00 62.75 64.06 1x4j n ILE 65 Cb 0.01 -1.34 0.27 0.00 -0.71 0.00 0.00 39.64 37.86 1x4j n ILE 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x4j n ARG 67 N -0.33 -2.58 -2.46 0.00 5.12 0.12 -4.76 116.66 111.76 1x4j n ARG 67 Ca 0.22 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.72 1x4j n ARG 67 Cb 0.91 -3.59 -0.03 0.00 -1.16 0.00 0.00 32.46 28.58 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x4j s ALA 68 N -1.59 2.85 -0.38 7.54 0.00 -1.26 -4.51 121.76 124.40 1x4j s ALA 68 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 51.96 50.83 1x4j s ALA 68 Cb 0.00 -4.11 -0.14 0.00 0.00 0.00 0.00 23.12 18.87 1x4j s ALA 68 CO 0.00 -2.91 1.60 -3.47 0.00 0.00 0.00 175.76 170.97 1x4j n ASP 69 N 9.27 0.55 -0.01 0.00 -0.08 -1.26 -3.85 116.55 121.17 1x4j n ASP 69 Ca 0.10 0.50 -0.17 0.00 -1.51 0.00 0.00 54.79 53.71 1x4j n ASP 69 Cb 0.49 -0.67 -0.12 0.00 2.34 0.00 0.00 41.12 43.17 1x4j n ASP 69 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1x4j h SER 70 N 6.72 0.38 -4.99 1.67 0.02 -1.89 -3.47 113.55 111.98 1x4j h SER 70 Ca -0.07 -0.79 -0.16 0.00 -0.84 0.00 0.00 61.79 59.93 1x4j h SER 70 Cb 1.05 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 63.27 1x4j h SER 70 CO 0.81 1.12 -0.62 -0.83 -1.14 0.00 0.00 176.83 176.17 1x4j s GLY 71 N -4.04 0.17 0.49 -3.77 0.00 -1.26 -4.90 107.32 94.01 1x4j s GLY 71 Ca -0.15 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.92 1x4j s GLY 71 CO 0.78 -0.54 1.15 2.56 0.00 0.00 0.00 173.10 177.06 1x4j s PRO 72 N -1.49 3.60 -0.09 2.90 0.04 -1.26 -4.96 135.00 133.74 1x4j s PRO 72 Ca -0.15 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.46 1x4j s PRO 72 Cb -0.09 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1x4j s PRO 72 CO -0.00 -0.67 0.34 0.45 0.04 0.00 0.00 177.00 177.16 1x4j s SER 73 N -1.53 6.60 -0.29 6.66 0.15 -1.26 -5.07 113.70 118.97 1x4j s SER 73 Ca 0.67 0.72 0.03 0.00 0.70 0.00 0.00 55.95 58.07 1x4j s SER 73 Cb -0.27 -2.21 0.08 0.00 -1.71 0.00 0.00 66.02 61.91 1x4j s SER 73 CO 0.31 0.21 -0.04 -0.94 1.20 0.00 0.00 173.24 173.98 1x4j s SER 74 N -0.28 4.50 0.00 5.45 1.04 -1.26 -5.31 113.70 117.84 1x4j s SER 74 Ca 0.20 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1x4j s SER 74 Cb -0.15 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1x4j s SER 74 CO 0.08 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.64