#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 1.29 -0.32 1.61 3.41 -1.26 -4.78 113.62 113.58 1x4j n SER 2 Ca 0.00 -0.78 0.01 0.00 -0.26 0.00 0.00 58.87 57.84 1x4j n SER 2 Cb 0.00 -1.37 0.06 0.00 -0.26 0.00 0.00 64.21 62.64 1x4j n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x4j n SER 3 N 14.70 -0.48 0.10 4.04 3.41 -1.26 -4.53 113.62 129.60 1x4j n SER 3 Ca 0.49 1.45 0.00 0.00 -0.26 0.00 0.00 58.87 60.55 1x4j n SER 3 Cb 0.37 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1x4j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4j n GLY 4 N -1.43 -0.59 3.76 5.00 0.00 -1.26 -5.05 105.19 105.62 1x4j n GLY 4 Ca 0.10 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1x4j n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4j n SER 5 N -3.01 -3.15 -3.63 1.61 7.64 -1.26 -4.98 113.62 106.85 1x4j n SER 5 Ca 0.00 -0.77 -0.13 0.00 1.01 0.00 0.00 58.87 58.98 1x4j n SER 5 Cb 0.00 -4.14 -0.07 0.00 -1.01 0.00 0.00 64.21 58.99 1x4j n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4j s SER 6 N -3.85 -0.74 0.00 6.43 1.04 -1.26 -5.00 113.70 110.32 1x4j s SER 6 Ca 0.32 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1x4j s SER 6 Cb -0.16 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.38 1x4j s SER 6 CO 0.81 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1x4j n GLY 7 N 2.77 3.39 3.06 7.32 0.00 -1.26 -5.11 105.19 115.36 1x4j n GLY 7 Ca -0.14 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.21 0.75 1.61 -0.21 -1.26 -5.15 119.66 115.61 1x4j s GLN 8 Ca 0.00 0.33 -0.15 0.00 0.02 0.00 0.00 55.36 55.56 1x4j s GLN 8 Cb 0.00 0.04 0.02 0.00 1.00 0.00 0.00 33.01 34.07 1x4j s GLN 8 CO 0.00 -0.06 0.94 1.28 -2.12 0.00 0.00 175.29 175.33 1x4j n LEU 9 N 3.31 3.25 -4.77 2.90 4.77 -1.26 -4.94 117.00 120.26 1x4j n LEU 9 Ca -0.16 0.63 -0.39 0.00 -0.03 0.00 0.00 56.01 56.06 1x4j n LEU 9 Cb 0.57 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.24 1x4j n LEU 9 CO 0.18 -2.15 0.87 -2.16 -1.33 0.00 0.00 177.39 172.81 1x4j s PRO 10 N -3.44 4.16 -0.10 3.23 0.04 -1.26 -5.04 135.00 132.58 1x4j s PRO 10 Ca 0.72 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1x4j s PRO 10 Cb -0.33 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 1x4j s PRO 10 CO 0.52 -0.26 -0.10 -1.12 0.04 0.00 0.00 177.00 176.08 1x4j s SER 11 N -0.95 4.35 -0.01 6.66 0.01 -1.26 -4.58 113.70 117.92 1x4j s SER 11 Ca 0.54 -0.17 -0.16 0.00 1.31 0.00 0.00 55.95 57.47 1x4j s SER 11 Cb -0.33 -1.36 0.03 0.00 0.21 0.00 0.00 66.02 64.57 1x4j s SER 11 CO 0.42 0.26 0.35 -0.72 0.41 0.00 0.00 173.24 173.96 1x4j s TYR 12 N -0.20 -0.22 -0.18 2.43 1.13 -1.26 -5.05 117.35 114.00 1x4j s TYR 12 Ca 0.02 0.31 -0.15 0.00 -1.41 0.00 0.00 57.07 55.84 1x4j s TYR 12 Cb -0.13 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.81 1x4j s TYR 12 CO 0.03 -0.43 0.34 1.03 -2.51 0.00 0.00 175.55 174.01 1x4j s ARG 13 N -1.47 4.22 0.26 -3.49 0.52 -1.26 -2.65 118.95 115.09 1x4j s ARG 13 Ca -0.12 0.14 -0.28 0.00 -0.52 0.00 0.00 55.73 54.94 1x4j s ARG 13 Cb -0.04 -3.48 -0.15 0.00 0.52 0.00 0.00 34.95 31.80 1x4j s ARG 13 CO 0.04 0.11 0.90 0.34 0.02 0.00 0.00 175.30 176.71 1x4j n PHE 14 N 3.98 0.85 -3.72 -0.53 -0.00 -1.04 -4.81 117.46 112.19 1x4j n PHE 14 Ca -0.10 0.77 -0.26 0.00 -0.00 0.00 0.00 57.45 57.86 1x4j n PHE 14 Cb 0.52 -2.18 -0.17 0.00 -0.00 0.00 0.00 39.48 37.65 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 -0.64 2.42 0.00 -2.13 -0.87 -1.26 -3.26 114.94 109.20 1x4j s ASN 15 Ca 0.60 -0.57 0.14 0.00 -1.57 0.00 0.00 52.86 51.46 1x4j s ASN 15 Cb -0.76 -0.48 0.83 0.00 -0.02 0.00 0.00 41.25 40.82 1x4j s ASN 15 CO 0.59 -0.29 1.25 -0.81 -2.57 0.00 0.00 177.10 175.27 1x4j n PRO 16 N 5.13 0.49 0.01 -0.60 -0.04 -1.26 -2.98 135.00 135.74 1x4j n PRO 16 Ca -0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 1x4j n PRO 16 Cb 0.48 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1x4j n PRO 16 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1x4j h ASN 17 N 0.00 0.41 -2.65 3.54 2.35 -2.01 -3.47 115.58 113.75 1x4j h ASN 17 Ca 0.00 -0.84 0.12 0.00 -0.55 0.00 0.00 56.30 55.03 1x4j h ASN 17 Cb 0.00 -0.13 -0.28 0.00 0.05 0.00 0.00 38.32 37.96 1x4j h ASN 17 CO 0.00 1.21 0.52 0.21 -1.65 0.00 0.00 177.43 177.72 1x4j s ASN 18 N -6.69 -0.37 -0.01 5.81 3.84 -1.16 -5.17 114.94 111.19 1x4j s ASN 18 Ca -0.14 0.65 -0.00 0.00 0.21 0.00 0.00 52.86 53.57 1x4j s ASN 18 Cb 0.02 0.91 0.02 0.00 -0.55 0.00 0.00 41.25 41.64 1x4j s ASN 18 CO 0.80 -0.11 0.02 -1.38 -2.79 0.00 0.00 177.10 173.64 1x4j s HIS 19 N 0.73 0.01 0.04 0.43 -3.43 -1.26 -4.79 115.29 107.02 1x4j s HIS 19 Ca -0.02 0.08 -0.09 0.00 -0.80 0.00 0.00 55.06 54.23 1x4j s HIS 19 Cb -0.04 -0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 30.96 1x4j s HIS 19 CO -0.12 -0.05 1.15 0.37 -2.00 0.00 0.00 174.74 174.09 1x4j h GLN 20 N 6.76 -0.05 -5.66 -0.38 4.15 -2.02 -3.39 115.11 114.52 1x4j h GLN 20 Ca -0.36 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.45 1x4j h GLN 20 Cb 1.16 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 1x4j h GLN 20 CO 0.49 -0.03 -0.34 -1.54 -1.93 0.00 0.00 178.83 175.48 1x4j s SER 21 N -3.54 6.52 0.00 -0.69 1.04 -1.26 -4.97 113.70 110.80 1x4j s SER 21 Ca -0.04 0.61 0.16 0.00 0.48 0.00 0.00 55.95 57.16 1x4j s SER 21 Cb 0.03 -2.17 0.50 0.00 0.10 0.00 0.00 66.02 64.47 1x4j s SER 21 CO 0.17 0.24 1.39 -1.84 0.98 0.00 0.00 173.24 174.18 1x4j n GLU 22 N 2.68 1.86 -1.57 4.02 0.28 -1.26 -4.18 120.64 122.47 1x4j n GLU 22 Ca -0.15 -1.31 -0.36 0.00 -0.16 0.00 0.00 57.16 55.18 1x4j n GLU 22 Cb 0.53 -1.34 0.06 0.00 1.43 0.00 0.00 31.44 32.12 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 0.55 2.75 -2.50 3.44 10.64 -1.26 -4.94 117.38 126.06 1x4j n GLN 23 Ca 0.14 -3.42 -0.41 0.00 -1.83 0.00 0.00 57.00 51.49 1x4j n GLN 23 Cb 0.34 -2.28 -0.03 0.00 -0.86 0.00 0.00 30.24 27.40 1x4j n GLN 23 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1x4j s THR 24 N -4.92 3.70 0.00 -0.39 -4.23 -1.26 -4.88 115.64 103.66 1x4j s THR 24 Ca 0.60 0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.47 1x4j s THR 24 Cb 0.48 -4.81 -0.00 0.00 1.34 0.00 0.00 72.50 69.51 1x4j s THR 24 CO -0.15 -1.73 0.10 -0.22 -0.54 0.00 0.00 174.62 172.08 1x4j s LEU 25 N 6.02 1.69 -0.51 4.79 0.20 -1.26 -4.39 118.68 125.23 1x4j s LEU 25 Ca 0.39 -0.24 -0.14 0.00 0.69 0.00 0.00 54.13 54.84 1x4j s LEU 25 Cb -0.08 0.54 0.12 0.00 -0.43 0.00 0.00 46.19 46.33 1x4j s LEU 25 CO 0.16 -0.33 0.43 0.00 -0.29 0.00 0.00 176.35 176.32 1x4j h VAL 27 N 5.96 1.06 0.17 0.00 3.04 -1.88 1.90 116.25 126.50 1x4j h VAL 27 Ca -0.27 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1x4j h VAL 27 Cb 1.09 0.35 -0.03 0.00 -2.01 0.00 0.00 31.29 30.69 1x4j h VAL 27 CO 0.95 0.12 -0.41 0.58 -1.01 0.00 0.00 177.57 177.81 1x4j h VAL 28 N 0.65 0.00 -0.39 1.51 2.07 -1.91 -3.02 116.25 115.16 1x4j h VAL 28 Ca 0.24 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.69 1x4j h VAL 28 Cb 0.12 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1x4j h VAL 28 CO -0.06 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.56 1x4j n MET 30 N -0.43 -0.85 -3.80 0.00 0.00 0.64 -4.90 117.12 107.78 1x4j n MET 30 Ca 0.27 0.02 -0.14 0.00 0.00 0.00 0.00 57.70 57.86 1x4j n MET 30 Cb 1.04 -2.22 -0.15 0.00 0.00 0.00 0.00 33.22 31.89 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 0.69 5.90 0.02 0.00 1.01 -1.26 -2.22 116.67 120.81 1x4j s ASP 32 Ca -0.06 2.54 -0.30 0.00 0.71 0.00 0.00 52.55 55.44 1x4j s ASP 32 Cb -0.08 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1x4j s ASP 32 CO -0.02 -1.12 1.09 -0.36 0.21 0.00 0.00 175.17 174.97 1x4j s PHE 33 N -1.40 3.53 0.75 4.23 0.08 -1.26 -4.92 117.98 119.00 1x4j s PHE 33 Ca 0.65 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 59.11 1x4j s PHE 33 Cb -0.35 -3.27 0.09 0.00 -0.57 0.00 0.00 43.02 38.92 1x4j s PHE 33 CO 0.42 -0.64 1.08 -1.21 -0.10 0.00 0.00 175.22 174.77 1x4j s GLU 34 N 1.14 1.93 0.73 0.44 2.02 -1.26 -5.00 118.70 118.69 1x4j s GLU 34 Ca 0.55 -0.28 -0.11 0.00 0.02 0.00 0.00 54.97 55.15 1x4j s GLU 34 Cb -0.25 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 31.90 1x4j s GLU 34 CO 0.28 -1.45 1.07 -1.54 0.02 0.00 0.00 175.26 173.64 1x4j s SER 35 N -4.59 5.03 -1.31 -0.19 1.04 -1.26 -3.93 113.70 108.50 1x4j s SER 35 Ca 0.63 1.64 -0.04 0.00 0.48 0.00 0.00 55.95 58.65 1x4j s SER 35 Cb -0.10 -2.46 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1x4j s SER 35 CO 0.46 -1.67 1.01 0.54 0.98 0.00 0.00 173.24 174.57 1x4j n ARG 36 N -3.28 -6.68 -3.76 4.02 3.00 -1.20 -4.92 116.66 103.84 1x4j n ARG 36 Ca 0.08 0.78 -0.13 0.00 -0.01 0.00 0.00 57.85 58.57 1x4j n ARG 36 Cb 0.54 -5.72 -0.13 0.00 0.00 0.00 0.00 32.46 27.14 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 -5.91 0.17 0.05 5.56 -0.21 -1.25 -4.97 119.66 113.09 1x4j s GLN 37 Ca 0.26 0.39 -0.31 0.00 0.02 0.00 0.00 55.36 55.73 1x4j s GLN 37 Cb -0.12 -0.07 -0.06 0.00 1.00 0.00 0.00 33.01 33.76 1x4j s GLN 37 CO 0.75 -0.12 1.30 -1.17 -2.12 0.00 0.00 175.29 173.93 1x4j s LEU 38 N 0.86 4.35 0.03 2.90 2.96 -1.26 -2.51 118.68 126.02 1x4j s LEU 38 Ca -0.06 2.10 0.08 0.00 -0.22 0.00 0.00 54.13 56.03 1x4j s LEU 38 Cb -0.08 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1x4j s LEU 38 CO -0.05 -0.59 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.39 1x4j s LEU 39 N 1.52 2.15 -0.22 -0.68 1.43 -1.08 -2.89 118.68 118.91 1x4j s LEU 39 Ca 0.61 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1x4j s LEU 39 Cb -0.31 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 1x4j s LEU 39 CO 0.28 0.23 0.02 -0.13 0.23 0.00 0.00 176.35 176.97 1x4j s ARG 40 N -1.10 3.59 -0.34 1.70 1.81 -1.02 -4.17 118.95 119.41 1x4j s ARG 40 Ca 0.10 -0.52 -0.17 0.00 -1.72 0.00 0.00 55.73 53.42 1x4j s ARG 40 Cb -0.09 -3.15 -0.01 0.00 -0.45 0.00 0.00 34.95 31.25 1x4j s ARG 40 CO 0.01 -0.09 0.44 0.08 -0.68 0.00 0.00 175.30 175.06 1x4j s VAL 41 N 1.29 5.10 0.86 3.52 1.01 -1.26 -1.65 120.40 129.27 1x4j s VAL 41 Ca 0.04 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1x4j s VAL 41 Cb -0.15 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.47 1x4j s VAL 41 CO 0.01 -0.14 1.18 -0.76 0.00 0.00 0.00 175.10 175.39 1x4j s LEU 42 N 2.20 2.99 0.00 3.92 1.43 0.19 -4.85 118.68 124.56 1x4j s LEU 42 Ca 0.15 2.28 0.08 0.00 -1.03 0.00 0.00 54.13 55.61 1x4j s LEU 42 Cb -0.16 -4.58 0.48 0.00 0.03 0.00 0.00 46.19 41.96 1x4j s LEU 42 CO 0.12 -2.89 0.93 -0.81 0.23 0.00 0.00 176.35 173.93 1x4j n PRO 43 N -3.78 0.49 -0.31 1.29 -0.04 -1.26 -2.03 135.00 129.35 1x4j n PRO 43 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1x4j n PRO 43 Cb 0.51 -1.26 0.21 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.01 -2.29 -3.87 0.00 4.13 -0.86 -5.06 115.26 107.30 1x4j n ASN 45 Ca 0.16 -0.29 -0.17 0.00 1.68 0.00 0.00 54.58 55.97 1x4j n ASN 45 Cb 0.66 -2.61 -0.16 0.00 -1.54 0.00 0.00 39.78 36.14 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1x4j s HIS 46 N -3.17 0.43 0.16 3.10 3.76 -1.24 -4.97 115.29 113.37 1x4j s HIS 46 Ca 0.03 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.74 1x4j s HIS 46 Cb -0.00 -0.42 -0.07 0.00 1.11 0.00 0.00 32.58 33.20 1x4j s HIS 46 CO 0.33 -0.11 0.54 -1.21 -0.85 0.00 0.00 174.74 173.45 1x4j s GLU 47 N 0.65 3.93 0.28 1.40 2.02 -1.26 0.55 118.70 126.27 1x4j s GLU 47 Ca -0.07 0.43 -0.03 0.00 0.02 0.00 0.00 54.97 55.32 1x4j s GLU 47 Cb -0.10 -2.88 0.01 0.00 0.10 0.00 0.00 34.13 31.26 1x4j s GLU 47 CO -0.01 0.45 0.41 1.19 0.02 0.00 0.00 175.26 177.33 1x4j n PHE 48 N 0.63 -1.35 -3.41 1.61 3.72 -0.66 -4.53 117.46 113.47 1x4j n PHE 48 Ca -0.04 -1.76 -0.39 0.00 -0.05 0.00 0.00 57.45 55.21 1x4j n PHE 48 Cb 0.52 0.47 -0.09 0.00 -0.94 0.00 0.00 39.48 39.44 1x4j n PHE 48 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1x4j s HIS 49 N -3.46 3.26 0.61 1.38 3.76 -1.26 -2.44 115.29 117.14 1x4j s HIS 49 Ca 0.21 0.41 0.26 0.00 -0.15 0.00 0.00 55.06 55.79 1x4j s HIS 49 Cb -0.01 -2.54 1.02 0.00 1.11 0.00 0.00 32.58 32.16 1x4j s HIS 49 CO 0.15 -0.18 1.44 0.00 -0.85 0.00 0.00 174.74 175.29 1x4j h ALA 50 N 8.05 2.71 0.00 -1.40 0.00 -1.84 0.21 119.26 126.99 1x4j h ALA 50 Ca -0.33 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 1x4j h ALA 50 Cb 1.16 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1x4j h ALA 50 CO 0.65 -1.46 -1.36 0.36 0.00 0.00 0.00 179.25 177.45 1x4j n LYS 51 N -3.30 0.56 0.06 0.00 2.85 -1.26 -3.78 118.16 113.29 1x4j n LYS 51 Ca 0.18 0.53 -0.03 0.00 -1.05 0.00 0.00 58.31 57.95 1x4j n LYS 51 Cb 1.29 -1.71 -0.01 0.00 -0.65 0.00 0.00 35.03 33.94 1x4j n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4j h VAL 53 N -0.17 0.30 -0.31 0.00 3.04 -1.35 0.89 116.25 118.65 1x4j h VAL 53 Ca -0.01 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.55 1x4j h VAL 53 Cb 0.14 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1x4j h VAL 53 CO 0.01 0.00 -0.34 0.44 -1.01 0.00 0.00 177.57 176.67 1x4j h ASP 54 N 0.00 0.72 1.15 3.17 5.19 -1.52 -1.09 116.42 124.04 1x4j h ASP 54 Ca 0.57 -0.30 -0.14 0.00 -0.62 0.00 0.00 57.03 56.54 1x4j h ASP 54 Cb 2.41 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 41.70 1x4j h ASP 54 CO -0.01 0.99 -0.89 0.11 -3.12 0.00 0.00 179.24 176.33 1x4j h LYS 55 N 0.58 0.00 0.23 3.56 1.57 0.15 -3.32 116.57 119.34 1x4j h LYS 55 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1x4j h LYS 55 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1x4j h LYS 55 CO 0.07 0.48 -0.11 2.35 -0.57 0.00 0.00 179.45 181.67 1x4j h TRP 56 N 0.00 -0.29 -1.00 -1.35 2.91 -0.84 -3.29 115.95 112.08 1x4j h TRP 56 Ca -0.06 -0.01 0.34 0.00 1.13 0.00 0.00 58.89 60.29 1x4j h TRP 56 Cb 1.51 0.10 -0.16 0.00 -0.51 0.00 0.00 29.16 30.10 1x4j h TRP 56 CO 0.00 -0.05 0.56 -0.07 -1.03 0.00 0.00 178.44 177.85 1x4j h LEU 57 N -1.03 0.46 -0.38 0.65 3.38 -1.26 0.39 115.31 117.52 1x4j h LEU 57 Ca -0.03 0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1x4j h LEU 57 Cb 0.37 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1x4j h LEU 57 CO 0.05 -0.20 -0.04 0.50 0.09 0.00 0.00 178.44 178.84 1x4j h LYS 58 N 0.25 0.06 -0.05 1.13 3.64 -1.65 -2.74 116.57 117.20 1x4j h LYS 58 Ca 0.76 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 60.05 1x4j h LYS 58 Cb 1.79 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1x4j h LYS 58 CO -0.64 0.04 -0.30 0.00 -2.27 0.00 0.00 179.45 176.27 1x4j h ALA 59 N 1.35 0.11 -3.25 5.00 0.00 -0.42 -3.44 119.26 118.60 1x4j h ALA 59 Ca 0.18 -0.44 -0.44 0.00 0.00 0.00 0.00 54.91 54.21 1x4j h ALA 59 Cb 0.27 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.67 1x4j h ALA 59 CO -0.34 0.15 -0.76 -0.80 0.00 0.00 0.00 179.25 177.50 1x4j s ASN 60 N -6.36 1.75 0.00 0.00 0.01 0.16 -5.02 114.94 105.48 1x4j s ASN 60 Ca -0.15 -0.19 -0.04 0.00 -0.71 0.00 0.00 52.86 51.77 1x4j s ASN 60 Cb 0.03 -0.41 -0.20 0.00 0.41 0.00 0.00 41.25 41.08 1x4j s ASN 60 CO 0.77 -0.22 2.94 0.54 -1.51 0.00 0.00 177.10 179.61 1x4j n ARG 61 N 5.16 1.57 -4.16 -0.60 1.74 -1.11 -3.64 116.66 115.62 1x4j n ARG 61 Ca -0.07 -0.74 -0.13 0.00 -0.77 0.00 0.00 57.85 56.15 1x4j n ARG 61 Cb 0.50 -1.82 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x4j s THR 62 N 1.22 0.00 -0.17 0.55 -4.23 -1.26 -3.55 115.64 108.21 1x4j s THR 62 Ca 0.49 -1.83 -0.25 0.00 -1.18 0.00 0.00 61.69 58.93 1x4j s THR 62 Cb 0.24 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 1x4j s THR 62 CO 0.00 0.00 0.82 0.00 -0.54 0.00 0.00 174.62 174.90 1x4j n PRO 64 N 5.15 0.49 0.00 0.00 -0.04 -1.26 -0.66 135.00 138.68 1x4j n PRO 64 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1x4j n PRO 64 Cb 0.49 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.58 0.00 -0.92 0.52 5.41 -1.26 -4.80 119.36 117.73 1x4j n ILE 65 Ca 0.02 0.10 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 1x4j n ILE 65 Cb 0.01 -1.06 0.31 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.00 -2.07 -2.51 0.00 1.74 0.16 -4.80 116.66 109.17 1x4j n ARG 67 Ca 0.37 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 1x4j n ARG 67 Cb 1.32 -3.95 -0.03 0.00 -1.02 0.00 0.00 32.46 28.79 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4j s ALA 68 N -1.47 3.49 -0.17 7.54 0.00 -1.25 -4.54 121.76 125.35 1x4j s ALA 68 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 1x4j s ALA 68 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1x4j s ALA 68 CO 0.00 -0.75 2.12 0.34 0.00 0.00 0.00 175.76 177.47 1x4j s ASP 69 N 1.41 5.73 0.07 0.00 2.15 -1.26 -1.40 116.67 123.36 1x4j s ASP 69 Ca 0.54 2.02 -0.25 0.00 0.43 0.00 0.00 52.55 55.29 1x4j s ASP 69 Cb -0.23 -2.52 -0.16 0.00 -0.30 0.00 0.00 42.92 39.71 1x4j s ASP 69 CO 0.20 -1.73 1.64 -1.28 -0.17 0.00 0.00 175.17 173.84 1x4j h SER 70 N 13.82 -0.11 -2.41 -0.34 0.87 -1.88 -3.48 113.55 120.02 1x4j h SER 70 Ca -0.42 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1x4j h SER 70 Cb 1.23 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1x4j h SER 70 CO 0.96 -0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.87 1x4j n GLY 71 N -0.94 4.58 3.76 5.77 0.00 -1.26 -4.89 105.19 112.22 1x4j n GLY 71 Ca -0.08 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1x4j n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4j s PRO 72 N -4.42 4.44 -0.40 1.61 0.04 -1.26 -4.96 135.00 130.05 1x4j s PRO 72 Ca 0.00 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1x4j s PRO 72 Cb 0.00 -3.14 0.45 0.00 0.04 0.00 0.00 34.50 31.84 1x4j s PRO 72 CO 0.00 -0.10 1.33 -1.13 0.04 0.00 0.00 177.00 177.13 1x4j n SER 73 N 1.52 5.38 -3.69 6.66 3.41 -1.26 -4.92 113.62 120.72 1x4j n SER 73 Ca 0.02 -3.75 -0.23 0.00 -0.26 0.00 0.00 58.87 54.64 1x4j n SER 73 Cb 0.43 -0.48 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1x4j n SER 73 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4j n SER 74 N -0.68 -3.25 0.00 4.04 7.64 -1.26 -5.30 113.62 114.80 1x4j n SER 74 Ca 0.46 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1x4j n SER 74 Cb 0.83 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1x4j n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64