#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 0.97 -3.61 1.61 2.88 -1.26 -4.98 113.62 109.23 1x4j n SER 2 Ca 0.00 1.15 -0.16 0.00 -1.33 0.00 0.00 58.87 58.54 1x4j n SER 2 Cb 0.00 -1.20 -0.07 0.00 -0.75 0.00 0.00 64.21 62.19 1x4j n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4j s SER 3 N -0.32 -0.57 0.00 -3.46 1.04 -1.26 -5.16 113.70 103.97 1x4j s SER 3 Ca 0.67 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1x4j s SER 3 Cb -0.82 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1x4j s SER 3 CO 0.55 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1x4j n GLY 4 N 1.61 0.79 3.27 7.32 0.00 -1.26 -5.16 105.19 111.76 1x4j n GLY 4 Ca -0.18 0.52 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 1x4j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4j s SER 5 N 0.00 -0.76 -0.00 1.61 0.01 -1.26 -5.05 113.70 108.25 1x4j s SER 5 Ca 0.00 0.98 -0.25 0.00 1.31 0.00 0.00 55.95 57.98 1x4j s SER 5 Cb 0.00 1.83 -0.19 0.00 0.21 0.00 0.00 66.02 67.86 1x4j s SER 5 CO 0.00 -0.25 1.35 0.77 0.41 0.00 0.00 173.24 175.52 1x4j h SER 6 N 8.07 -0.00 0.00 2.44 4.64 -2.04 -3.47 113.55 123.19 1x4j h SER 6 Ca -0.19 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1x4j h SER 6 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1x4j h SER 6 CO 0.19 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1x4j n GLY 7 N -0.02 0.00 3.26 -0.77 0.00 -1.26 -5.13 105.19 101.27 1x4j n GLY 7 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 0.90 0.35 1.61 -0.21 -1.26 -4.57 119.66 116.48 1x4j s GLN 8 Ca 0.00 -0.72 -0.16 0.00 0.02 0.00 0.00 55.36 54.50 1x4j s GLN 8 Cb 0.00 0.38 -0.09 0.00 1.00 0.00 0.00 33.01 34.30 1x4j s GLN 8 CO 0.00 -0.31 0.78 -0.51 -2.12 0.00 0.00 175.29 173.13 1x4j s LEU 9 N -2.56 4.02 0.09 2.90 1.43 -1.26 -5.03 118.68 118.27 1x4j s LEU 9 Ca 0.01 1.35 -0.31 0.00 -1.03 0.00 0.00 54.13 54.15 1x4j s LEU 9 Cb 0.02 -4.17 -0.07 0.00 0.03 0.00 0.00 46.19 42.00 1x4j s LEU 9 CO -0.09 -0.25 1.38 -2.16 0.23 0.00 0.00 176.35 175.46 1x4j s PRO 10 N -3.09 4.32 -0.22 1.29 0.04 -1.26 -4.98 135.00 131.11 1x4j s PRO 10 Ca 0.55 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.53 1x4j s PRO 10 Cb -0.10 -3.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1x4j s PRO 10 CO 0.18 -0.46 0.14 -1.54 0.04 0.00 0.00 177.00 175.36 1x4j s SER 11 N 1.29 6.13 -0.02 6.66 1.04 -1.26 -4.22 113.70 123.32 1x4j s SER 11 Ca 0.64 0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.98 1x4j s SER 11 Cb -0.35 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 63.74 1x4j s SER 11 CO 0.29 0.13 0.57 -0.72 0.98 0.00 0.00 173.24 174.49 1x4j s TYR 12 N 0.65 -0.51 -0.07 5.02 -0.85 -1.23 -5.02 117.35 115.34 1x4j s TYR 12 Ca 0.08 0.79 -0.23 0.00 -0.52 0.00 0.00 57.07 57.19 1x4j s TYR 12 Cb -0.12 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1x4j s TYR 12 CO 0.01 -0.58 0.69 1.03 -1.52 0.00 0.00 175.55 175.18 1x4j s ARG 13 N -1.54 4.43 0.72 -3.49 3.00 -1.26 -2.82 118.95 117.99 1x4j s ARG 13 Ca -0.10 0.86 -0.17 0.00 0.00 0.00 0.00 55.73 56.32 1x4j s ARG 13 Cb -0.01 -3.45 -0.07 0.00 0.00 0.00 0.00 34.95 31.41 1x4j s ARG 13 CO 0.06 0.06 0.23 0.34 0.00 0.00 0.00 175.30 175.98 1x4j n PHE 14 N 3.82 -1.79 -3.87 -0.53 -0.00 -1.24 -4.70 117.46 109.15 1x4j n PHE 14 Ca -0.01 0.32 -0.29 0.00 -0.00 0.00 0.00 57.45 57.47 1x4j n PHE 14 Cb 0.51 -1.81 -0.16 0.00 -0.00 0.00 0.00 39.48 38.03 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 -1.33 3.29 0.00 -2.13 0.01 -1.26 -3.56 114.94 109.95 1x4j s ASN 15 Ca 0.60 -0.93 0.15 0.00 -0.71 0.00 0.00 52.86 51.98 1x4j s ASN 15 Cb -0.36 -0.93 0.84 0.00 0.41 0.00 0.00 41.25 41.21 1x4j s ASN 15 CO 0.63 -0.24 1.37 -0.81 -1.51 0.00 0.00 177.10 176.54 1x4j n PRO 16 N 4.84 0.35 -0.13 -0.60 -0.04 -1.26 -3.00 135.00 135.15 1x4j n PRO 16 Ca -0.11 0.07 -0.25 0.00 -0.04 0.00 0.00 63.50 63.17 1x4j n PRO 16 Cb 0.46 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.15 1.96 -4.13 3.54 2.85 -1.26 -4.86 115.26 112.21 1x4j n ASN 17 Ca 0.09 0.16 -0.36 0.00 -0.11 0.00 0.00 54.58 54.36 1x4j n ASN 17 Cb 0.09 -0.65 -0.12 0.00 1.24 0.00 0.00 39.78 40.33 1x4j n ASN 17 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1x4j s ASN 18 N -7.09 5.22 -1.22 1.20 4.22 -1.16 -5.02 114.94 111.08 1x4j s ASN 18 Ca -0.37 -1.90 -0.21 0.00 -2.14 0.00 0.00 52.86 48.24 1x4j s ASN 18 Cb 0.13 -1.82 -0.02 0.00 1.28 0.00 0.00 41.25 40.82 1x4j s ASN 18 CO 0.52 -0.50 1.84 -2.28 -2.04 0.00 0.00 177.10 174.64 1x4j s HIS 19 N 1.17 2.30 0.46 1.54 2.46 -1.26 -4.55 115.29 117.40 1x4j s HIS 19 Ca 0.06 -0.41 0.34 0.00 0.47 0.00 0.00 55.06 55.52 1x4j s HIS 19 Cb -0.22 -4.33 1.52 0.00 -0.13 0.00 0.00 32.58 29.41 1x4j s HIS 19 CO -0.04 -1.49 1.59 -0.56 -2.47 0.00 0.00 174.74 171.78 1x4j h GLN 20 N 8.91 0.02 -4.17 2.88 -0.00 -1.96 -3.34 115.11 117.46 1x4j h GLN 20 Ca 0.31 -0.00 -0.49 0.00 -0.00 0.00 0.00 58.65 58.47 1x4j h GLN 20 Cb 0.92 -0.00 -0.36 0.00 -0.00 0.00 0.00 27.48 28.03 1x4j h GLN 20 CO 1.33 0.01 -0.79 -1.12 -0.00 0.00 0.00 178.83 178.25 1x4j s SER 21 N -4.27 1.78 0.24 0.06 0.01 -1.26 -5.03 113.70 105.22 1x4j s SER 21 Ca -0.07 -0.23 -0.06 0.00 1.31 0.00 0.00 55.95 56.90 1x4j s SER 21 Cb 0.30 -0.70 0.42 0.00 0.21 0.00 0.00 66.02 66.25 1x4j s SER 21 CO 0.83 -0.09 1.30 -1.84 0.41 0.00 0.00 173.24 173.86 1x4j n GLU 22 N 4.58 -0.07 -4.26 12.44 0.28 -1.25 -3.90 120.64 128.44 1x4j n GLU 22 Ca -0.16 1.29 -0.33 0.00 -0.16 0.00 0.00 57.16 57.80 1x4j n GLU 22 Cb 0.51 -1.95 -0.15 0.00 1.43 0.00 0.00 31.44 31.27 1x4j n GLU 22 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1x4j s GLN 23 N -6.01 3.13 -0.32 3.44 1.03 -1.26 -5.08 119.66 114.58 1x4j s GLN 23 Ca -0.12 -0.77 0.03 0.00 0.04 0.00 0.00 55.36 54.53 1x4j s GLN 23 Cb 0.23 -2.65 0.09 0.00 0.03 0.00 0.00 33.01 30.72 1x4j s GLN 23 CO 0.65 -0.12 0.04 0.95 -2.54 0.00 0.00 175.29 174.27 1x4j s THR 24 N 1.13 1.90 0.03 3.63 -4.23 -1.25 -4.85 115.64 112.00 1x4j s THR 24 Ca 0.01 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1x4j s THR 24 Cb -0.14 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1x4j s THR 24 CO -0.06 -0.55 0.06 -0.22 -0.54 0.00 0.00 174.62 173.31 1x4j s LEU 25 N 1.11 1.96 -0.43 4.79 0.20 -1.26 -4.29 118.68 120.75 1x4j s LEU 25 Ca 0.08 -0.56 -0.14 0.00 0.69 0.00 0.00 54.13 54.20 1x4j s LEU 25 Cb -0.19 0.46 0.05 0.00 -0.43 0.00 0.00 46.19 46.09 1x4j s LEU 25 CO -0.12 -0.47 0.32 0.00 -0.29 0.00 0.00 176.35 175.79 1x4j h VAL 27 N 5.79 0.19 0.59 0.00 3.04 -1.87 0.69 116.25 124.69 1x4j h VAL 27 Ca -0.27 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.06 1x4j h VAL 27 Cb 1.11 1.27 0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1x4j h VAL 27 CO 0.79 0.04 -0.28 0.58 -1.01 0.00 0.00 177.57 177.68 1x4j h VAL 28 N 0.00 0.00 -0.55 1.51 2.07 -1.93 -3.31 116.25 114.04 1x4j h VAL 28 Ca -0.00 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 1x4j h VAL 28 Cb 0.27 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.95 1x4j h VAL 28 CO 0.01 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.73 1x4j n MET 30 N -0.38 -0.81 -4.32 0.00 0.00 0.24 -4.86 117.12 106.99 1x4j n MET 30 Ca 0.34 0.09 -0.18 0.00 0.00 0.00 0.00 57.70 57.95 1x4j n MET 30 Cb 1.20 -3.21 -0.14 0.00 0.00 0.00 0.00 33.22 31.07 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 -0.74 4.59 0.01 0.00 1.47 -1.26 -1.37 116.67 119.37 1x4j s ASP 32 Ca 0.01 1.53 -0.10 0.00 1.18 0.00 0.00 52.55 55.17 1x4j s ASP 32 Cb -0.06 -2.29 -0.05 0.00 -0.34 0.00 0.00 42.92 40.18 1x4j s ASP 32 CO 0.00 -1.94 0.33 -0.36 0.68 0.00 0.00 175.17 173.89 1x4j s PHE 33 N -3.04 3.63 0.39 2.11 0.08 -1.26 -4.86 117.98 115.03 1x4j s PHE 33 Ca 0.60 0.76 0.06 0.00 0.12 0.00 0.00 56.93 58.47 1x4j s PHE 33 Cb -0.15 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 1x4j s PHE 33 CO 0.55 0.61 0.55 -1.21 -0.10 0.00 0.00 175.22 175.62 1x4j s GLU 34 N -1.50 2.98 0.57 0.44 8.01 -1.26 -5.03 118.70 122.90 1x4j s GLU 34 Ca 0.26 -0.99 -0.17 0.00 0.01 0.00 0.00 54.97 54.08 1x4j s GLU 34 Cb -0.14 -2.74 -0.05 0.00 -4.31 0.00 0.00 34.13 26.89 1x4j s GLU 34 CO 0.14 -0.14 1.05 0.45 0.01 0.00 0.00 175.26 176.78 1x4j s SER 35 N -4.25 5.91 -1.27 -0.19 0.15 -1.26 -3.70 113.70 109.08 1x4j s SER 35 Ca 0.49 1.85 -0.08 0.00 0.70 0.00 0.00 55.95 58.91 1x4j s SER 35 Cb -0.10 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1x4j s SER 35 CO 0.33 -1.08 1.05 0.54 1.20 0.00 0.00 173.24 175.28 1x4j n ARG 36 N -1.79 -7.16 -4.54 5.44 1.74 -1.23 -4.88 116.66 104.23 1x4j n ARG 36 Ca 0.09 0.77 -0.21 0.00 -0.77 0.00 0.00 57.85 57.73 1x4j n ARG 36 Cb 0.53 -5.63 -0.15 0.00 -1.02 0.00 0.00 32.46 26.19 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1x4j s GLN 37 N -6.17 0.98 -0.56 5.56 -0.21 -1.24 -4.97 119.66 113.05 1x4j s GLN 37 Ca 0.52 -0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.20 1x4j s GLN 37 Cb -0.23 -0.95 -0.02 0.00 1.00 0.00 0.00 33.01 32.81 1x4j s GLN 37 CO 0.65 0.26 1.85 -1.17 -2.12 0.00 0.00 175.29 174.75 1x4j s LEU 38 N -0.29 3.33 0.48 2.90 2.96 -1.26 -3.59 118.68 123.21 1x4j s LEU 38 Ca 0.05 0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.52 1x4j s LEU 38 Cb -0.05 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 1x4j s LEU 38 CO -0.00 -2.26 0.23 -0.76 -1.32 0.00 0.00 176.35 172.24 1x4j s LEU 39 N 8.69 2.83 0.08 -0.68 1.43 -1.13 -2.66 118.68 127.23 1x4j s LEU 39 Ca 0.69 -1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1x4j s LEU 39 Cb -0.14 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1x4j s LEU 39 CO 0.23 -0.80 -0.03 -0.13 0.23 0.00 0.00 176.35 175.85 1x4j s ARG 40 N -4.04 0.72 -0.15 1.70 0.52 0.50 -3.58 118.95 114.62 1x4j s ARG 40 Ca 0.32 -1.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.23 1x4j s ARG 40 Cb 0.01 0.09 0.05 0.00 0.52 0.00 0.00 34.95 35.62 1x4j s ARG 40 CO 0.19 -0.10 0.02 0.08 0.02 0.00 0.00 175.30 175.50 1x4j s VAL 41 N -3.85 0.54 0.85 3.52 1.01 -1.26 0.17 120.40 121.38 1x4j s VAL 41 Ca 0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1x4j s VAL 41 Cb 0.07 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.65 1x4j s VAL 41 CO -0.07 -0.03 1.17 -0.76 0.00 0.00 0.00 175.10 175.41 1x4j s LEU 42 N 1.87 3.02 0.00 3.92 1.43 0.16 -4.69 118.68 124.39 1x4j s LEU 42 Ca 0.01 2.27 0.09 0.00 -1.03 0.00 0.00 54.13 55.46 1x4j s LEU 42 Cb -0.15 -4.58 0.53 0.00 0.03 0.00 0.00 46.19 42.02 1x4j s LEU 42 CO -0.07 -2.82 0.97 -0.81 0.23 0.00 0.00 176.35 173.86 1x4j n PRO 43 N -3.69 0.49 -0.38 1.29 -0.04 -1.26 -2.08 135.00 129.33 1x4j n PRO 43 Ca 0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1x4j n PRO 43 Cb 0.51 -1.29 0.24 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.21 -2.46 -3.91 0.00 4.13 -0.88 -5.06 115.26 107.29 1x4j n ASN 45 Ca 0.18 -0.29 -0.16 0.00 1.68 0.00 0.00 54.58 56.00 1x4j n ASN 45 Cb 0.71 -2.60 -0.15 0.00 -1.54 0.00 0.00 39.78 36.20 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 0.37 0.13 3.10 3.76 -1.24 -4.98 115.29 113.27 1x4j s HIS 46 Ca 0.04 -0.06 -0.14 0.00 -0.15 0.00 0.00 55.06 54.76 1x4j s HIS 46 Cb -0.01 -0.30 -0.07 0.00 1.11 0.00 0.00 32.58 33.32 1x4j s HIS 46 CO 0.33 -0.05 0.53 -1.21 -0.85 0.00 0.00 174.74 173.49 1x4j s GLU 47 N 0.23 3.95 0.26 1.40 8.01 -1.26 0.36 118.70 131.64 1x4j s GLU 47 Ca -0.02 0.45 -0.10 0.00 0.01 0.00 0.00 54.97 55.30 1x4j s GLU 47 Cb -0.05 -2.95 -0.00 0.00 -4.31 0.00 0.00 34.13 26.81 1x4j s GLU 47 CO -0.00 0.50 0.46 -0.06 0.01 0.00 0.00 175.26 176.16 1x4j s PHE 48 N -1.44 0.52 -0.19 1.61 0.08 0.13 -4.52 117.98 114.16 1x4j s PHE 48 Ca 0.37 -0.87 -0.17 0.00 0.12 0.00 0.00 56.93 56.38 1x4j s PHE 48 Cb -0.15 0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 1x4j s PHE 48 CO 0.19 -1.00 0.46 -1.01 -0.10 0.00 0.00 175.22 173.76 1x4j s HIS 49 N -3.83 3.38 0.59 0.36 3.76 -1.26 -0.37 115.29 117.92 1x4j s HIS 49 Ca 0.25 0.72 0.31 0.00 -0.15 0.00 0.00 55.06 56.18 1x4j s HIS 49 Cb -0.00 -2.60 1.24 0.00 1.11 0.00 0.00 32.58 32.33 1x4j s HIS 49 CO 0.11 -0.04 1.56 0.00 -0.85 0.00 0.00 174.74 175.52 1x4j h ALA 50 N 7.36 2.85 0.00 -1.40 0.00 -1.75 0.11 119.26 126.43 1x4j h ALA 50 Ca -0.35 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1x4j h ALA 50 Cb 1.16 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1x4j h ALA 50 CO 0.73 -1.50 -1.18 1.57 0.00 0.00 0.00 179.25 178.88 1x4j h LYS 51 N 0.00 0.00 0.08 0.00 2.10 -1.92 -3.30 116.57 113.53 1x4j h LYS 51 Ca 0.47 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1x4j h LYS 51 Cb 2.45 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.78 1x4j h LYS 51 CO -0.00 0.91 -0.07 0.00 -2.00 0.00 0.00 179.45 178.28 1x4j h VAL 53 N -0.15 0.28 -0.35 0.00 3.04 -1.33 1.09 116.25 118.84 1x4j h VAL 53 Ca -0.01 -0.03 -0.08 0.00 -1.01 0.00 0.00 66.70 65.57 1x4j h VAL 53 Cb 0.13 0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 29.57 1x4j h VAL 53 CO -0.00 0.02 -0.13 0.44 -1.01 0.00 0.00 177.57 176.89 1x4j h ASP 54 N 0.09 0.60 0.72 3.17 3.32 -1.51 0.22 116.42 123.03 1x4j h ASP 54 Ca 0.71 -0.17 -0.26 0.00 0.02 0.00 0.00 57.03 57.33 1x4j h ASP 54 Cb 2.52 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 41.91 1x4j h ASP 54 CO -0.15 0.76 -1.19 0.50 -1.72 0.00 0.00 179.24 177.44 1x4j h LYS 55 N 0.56 0.20 0.41 3.56 3.64 0.19 -3.25 116.57 121.88 1x4j h LYS 55 Ca 0.10 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1x4j h LYS 55 Cb 0.55 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1x4j h LYS 55 CO 0.03 1.16 -0.20 2.35 -2.27 0.00 0.00 179.45 180.53 1x4j h TRP 56 N 0.06 -0.51 -0.97 1.91 2.91 -0.98 -3.25 115.95 115.11 1x4j h TRP 56 Ca -0.11 -0.01 0.32 0.00 1.13 0.00 0.00 58.89 60.23 1x4j h TRP 56 Cb 1.92 0.17 -0.16 0.00 -0.51 0.00 0.00 29.16 30.58 1x4j h TRP 56 CO 0.05 -0.32 0.40 -0.07 -1.03 0.00 0.00 178.44 177.47 1x4j h LEU 57 N -1.12 0.19 -0.87 0.65 3.38 -1.01 0.87 115.31 117.40 1x4j h LEU 57 Ca -0.06 0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.26 1x4j h LEU 57 Cb 0.42 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1x4j h LEU 57 CO 0.09 -0.27 0.49 0.50 0.09 0.00 0.00 178.44 179.35 1x4j h LYS 58 N 0.15 0.74 0.08 1.13 3.64 -1.61 -2.75 116.57 117.95 1x4j h LYS 58 Ca 0.71 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.90 1x4j h LYS 58 Cb 1.65 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1x4j h LYS 58 CO -0.72 0.49 -0.69 0.00 -2.27 0.00 0.00 179.45 176.26 1x4j h ALA 59 N 1.52 0.01 -3.25 5.00 0.00 0.54 -3.45 119.26 119.62 1x4j h ALA 59 Ca 0.45 -0.74 -0.45 0.00 0.00 0.00 0.00 54.91 54.16 1x4j h ALA 59 Cb 0.52 0.19 -0.38 0.00 0.00 0.00 0.00 17.79 18.11 1x4j h ALA 59 CO -0.30 0.36 -0.77 -0.80 0.00 0.00 0.00 179.25 177.74 1x4j s ASN 60 N -6.73 1.82 -0.31 0.00 0.01 0.71 -5.03 114.94 105.41 1x4j s ASN 60 Ca -0.18 -0.21 -0.06 0.00 -0.71 0.00 0.00 52.86 51.70 1x4j s ASN 60 Cb 0.01 -0.47 -0.19 0.00 0.41 0.00 0.00 41.25 41.01 1x4j s ASN 60 CO 0.75 -0.21 3.01 -1.14 -1.51 0.00 0.00 177.10 178.00 1x4j n ARG 61 N 5.13 2.00 -4.09 -0.60 0.63 -1.17 -3.61 116.66 114.96 1x4j n ARG 61 Ca -0.07 -1.08 -0.12 0.00 -0.92 0.00 0.00 57.85 55.66 1x4j n ARG 61 Cb 0.50 -2.09 -0.06 0.00 0.45 0.00 0.00 32.46 31.26 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x4j s THR 62 N 1.62 0.00 -0.24 5.15 -4.23 -1.26 -3.87 115.64 112.81 1x4j s THR 62 Ca 0.57 -1.64 -0.23 0.00 -1.18 0.00 0.00 61.69 59.21 1x4j s THR 62 Cb 0.24 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 1x4j s THR 62 CO -0.01 0.00 0.77 0.00 -0.54 0.00 0.00 174.62 174.84 1x4j n PRO 64 N 5.87 0.49 -0.00 0.00 -0.04 -1.26 -0.08 135.00 139.98 1x4j n PRO 64 Ca 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1x4j n PRO 64 Cb 0.48 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.63 0.63 -1.12 0.52 5.41 -1.26 -4.79 119.36 118.12 1x4j n ILE 65 Ca 0.03 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.03 1x4j n ILE 65 Cb 0.01 -1.53 0.26 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.53 -2.38 -2.77 0.00 1.74 0.89 -4.78 116.66 108.83 1x4j n ARG 67 Ca 0.32 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.97 1x4j n ARG 67 Cb 1.11 -3.44 -0.04 0.00 -1.02 0.00 0.00 32.46 29.08 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 -1.62 3.23 -0.44 7.54 0.00 -1.25 -4.64 121.76 124.59 1x4j s ALA 68 Ca 0.05 -0.69 -0.41 0.00 0.00 0.00 0.00 51.96 50.91 1x4j s ALA 68 Cb -0.03 -3.69 -0.17 0.00 0.00 0.00 0.00 23.12 19.23 1x4j s ALA 68 CO 0.06 -2.07 2.06 -3.47 0.00 0.00 0.00 175.76 172.35 1x4j n ASP 69 N 7.29 1.34 0.09 0.00 2.03 -1.26 -3.14 116.55 122.91 1x4j n ASP 69 Ca 0.08 0.70 -0.13 0.00 0.52 0.00 0.00 54.79 55.95 1x4j n ASP 69 Cb 0.49 -1.02 -0.08 0.00 -0.72 0.00 0.00 41.12 39.79 1x4j n ASP 69 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1x4j h SER 70 N 9.36 -0.12 0.00 1.67 4.64 -1.89 -3.48 113.55 123.72 1x4j h SER 70 Ca -0.22 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1x4j h SER 70 Cb 1.38 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1x4j h SER 70 CO 1.05 -0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 1x4j n GLY 71 N -1.01 1.47 3.72 -0.77 0.00 -1.26 -4.86 105.19 102.48 1x4j n GLY 71 Ca -0.08 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 1.26 -0.11 1.61 0.04 -1.26 -5.08 135.00 131.46 1x4j s PRO 72 Ca 0.00 0.82 -0.08 0.00 0.04 0.00 0.00 61.00 61.78 1x4j s PRO 72 Cb 0.00 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.77 1x4j s PRO 72 CO 0.00 -2.24 0.28 -1.54 0.04 0.00 0.00 177.00 173.54 1x4j s SER 73 N -3.42 -0.30 0.16 6.66 1.04 -1.26 -5.03 113.70 111.54 1x4j s SER 73 Ca 0.63 0.58 -0.11 0.00 0.48 0.00 0.00 55.95 57.54 1x4j s SER 73 Cb -0.18 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1x4j s SER 73 CO 0.57 -0.13 1.57 0.77 0.98 0.00 0.00 173.24 176.99 1x4j h SER 74 N 6.46 0.98 0.00 7.02 4.64 -1.99 -3.50 113.55 127.17 1x4j h SER 74 Ca -0.33 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 1x4j h SER 74 Cb 1.18 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1x4j h SER 74 CO 0.35 1.12 0.00 0.61 -0.87 0.00 0.00 176.83 178.04