#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4j s SER 2 N 0.00 6.95 0.07 1.61 0.01 -1.26 -5.04 113.70 116.04 1x4j s SER 2 Ca 0.00 1.18 0.06 0.00 1.31 0.00 0.00 55.95 58.50 1x4j s SER 2 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1x4j s SER 2 CO 0.00 -0.51 -0.08 -0.94 0.41 0.00 0.00 173.24 172.12 1x4j s SER 3 N 1.24 4.49 0.00 2.44 1.04 -1.26 -4.94 113.70 116.71 1x4j s SER 3 Ca 0.39 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1x4j s SER 3 Cb -0.16 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1x4j s SER 3 CO 0.09 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1x4j n GLY 4 N 1.00 0.03 3.57 7.32 0.00 -1.26 -5.16 105.19 110.70 1x4j n GLY 4 Ca -0.14 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 1.16 -0.41 1.61 0.01 -1.26 -4.98 113.70 109.83 1x4j s SER 5 Ca 0.00 0.89 0.05 0.00 1.31 0.00 0.00 55.95 58.19 1x4j s SER 5 Cb 0.00 -1.32 0.45 0.00 0.21 0.00 0.00 66.02 65.35 1x4j s SER 5 CO 0.00 -4.00 1.37 -1.54 0.41 0.00 0.00 173.24 169.47 1x4j n SER 6 N -4.72 5.51 -0.08 2.44 3.41 -1.26 -4.75 113.62 114.17 1x4j n SER 6 Ca 0.10 -3.76 -0.07 0.00 -0.26 0.00 0.00 58.87 54.88 1x4j n SER 6 Cb 0.58 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1x4j n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4j n GLY 7 N -0.70 -0.61 3.89 5.00 0.00 -1.26 -4.99 105.19 106.52 1x4j n GLY 7 Ca 0.47 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.61 3.48 0.30 1.61 -1.52 -1.26 -5.09 119.66 114.57 1x4j s GLN 8 Ca -0.24 -0.16 -0.20 0.00 -1.95 0.00 0.00 55.36 52.81 1x4j s GLN 8 Cb 0.03 -3.15 -0.09 0.00 -0.22 0.00 0.00 33.01 29.58 1x4j s GLN 8 CO 0.35 0.73 0.81 -0.51 -0.25 0.00 0.00 175.29 176.42 1x4j s LEU 9 N -1.42 4.22 -0.08 2.90 1.43 -1.26 -5.01 118.68 119.45 1x4j s LEU 9 Ca 0.21 1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 1x4j s LEU 9 Cb -0.13 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 1x4j s LEU 9 CO 0.11 -0.11 1.51 -2.16 0.23 0.00 0.00 176.35 175.94 1x4j s PRO 10 N -2.40 4.20 -0.14 1.29 0.04 -1.26 -5.01 135.00 131.72 1x4j s PRO 10 Ca 0.50 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.51 1x4j s PRO 10 Cb -0.14 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 1x4j s PRO 10 CO 0.20 -0.78 0.01 0.45 0.04 0.00 0.00 177.00 176.91 1x4j s SER 11 N 2.80 5.23 0.11 6.66 0.15 -1.26 -4.37 113.70 123.02 1x4j s SER 11 Ca 0.67 0.03 -0.22 0.00 0.70 0.00 0.00 55.95 57.14 1x4j s SER 11 Cb -0.30 -1.75 0.06 0.00 -1.71 0.00 0.00 66.02 62.32 1x4j s SER 11 CO 0.25 0.24 0.53 -0.72 1.20 0.00 0.00 173.24 174.74 1x4j s TYR 12 N -0.05 -0.43 -0.01 3.44 1.13 -1.26 -5.03 117.35 115.14 1x4j s TYR 12 Ca 0.04 0.29 -0.22 0.00 -1.41 0.00 0.00 57.07 55.77 1x4j s TYR 12 Cb -0.13 0.42 -0.05 0.00 -1.10 0.00 0.00 41.96 41.11 1x4j s TYR 12 CO 0.02 -0.75 0.66 1.03 -2.51 0.00 0.00 175.55 174.00 1x4j s ARG 13 N -3.31 4.39 0.62 -3.49 0.52 -1.26 -2.97 118.95 113.46 1x4j s ARG 13 Ca -0.01 0.84 -0.17 0.00 -0.52 0.00 0.00 55.73 55.87 1x4j s ARG 13 Cb -0.00 -3.38 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 1x4j s ARG 13 CO -0.09 0.26 0.34 0.34 0.02 0.00 0.00 175.30 176.17 1x4j n PHE 14 N 3.07 -1.36 -3.73 -0.53 7.35 -1.22 -4.94 117.46 116.10 1x4j n PHE 14 Ca -0.04 0.40 -0.25 0.00 -0.76 0.00 0.00 57.45 56.79 1x4j n PHE 14 Cb 0.51 -1.87 -0.17 0.00 0.35 0.00 0.00 39.48 38.30 1x4j n PHE 14 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1x4j s ASN 15 N -1.21 2.16 0.00 -2.13 0.01 -1.26 -4.19 114.94 108.31 1x4j s ASN 15 Ca 0.64 -0.43 0.12 0.00 -0.71 0.00 0.00 52.86 52.48 1x4j s ASN 15 Cb -0.42 -0.45 0.70 0.00 0.41 0.00 0.00 41.25 41.50 1x4j s ASN 15 CO 0.59 -0.26 1.13 -0.81 -1.51 0.00 0.00 177.10 176.24 1x4j n PRO 16 N 5.14 0.49 -0.10 -0.60 -0.04 -1.26 -2.39 135.00 136.24 1x4j n PRO 16 Ca -0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1x4j n PRO 16 Cb 0.49 -1.38 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 1x4j n PRO 16 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1x4j n ASN 17 N -0.88 0.75 -3.74 3.54 6.94 -1.26 -5.00 115.26 115.62 1x4j n ASN 17 Ca 0.09 0.01 -0.14 0.00 -0.02 0.00 0.00 54.58 54.52 1x4j n ASN 17 Cb 0.04 0.40 -0.09 0.00 -2.36 0.00 0.00 39.78 37.77 1x4j n ASN 17 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1x4j s ASN 18 N -5.92 -0.28 -0.15 0.53 0.01 -1.01 -5.17 114.94 102.95 1x4j s ASN 18 Ca -0.17 0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 52.02 1x4j s ASN 18 Cb 0.07 0.47 0.10 0.00 0.41 0.00 0.00 41.25 42.30 1x4j s ASN 18 CO 0.76 -0.36 0.88 -1.38 -1.51 0.00 0.00 177.10 175.49 1x4j s HIS 19 N -0.85 -0.51 0.03 2.20 -3.43 -1.26 -4.28 115.29 107.19 1x4j s HIS 19 Ca -0.09 0.97 -0.28 0.00 -0.80 0.00 0.00 55.06 54.86 1x4j s HIS 19 Cb -0.04 0.41 -0.17 0.00 -1.43 0.00 0.00 32.58 31.35 1x4j s HIS 19 CO 0.03 -0.41 1.31 -0.56 -2.00 0.00 0.00 174.74 173.12 1x4j h GLN 20 N 3.14 -0.71 -6.17 -0.38 3.07 -2.02 -3.44 115.11 108.61 1x4j h GLN 20 Ca -0.23 0.05 -0.67 0.00 0.09 0.00 0.00 58.65 57.88 1x4j h GLN 20 Cb 1.16 0.16 -0.15 0.00 0.08 0.00 0.00 27.48 28.73 1x4j h GLN 20 CO 0.28 -0.40 -0.66 -1.54 0.09 0.00 0.00 178.83 176.60 1x4j s SER 21 N -4.68 4.97 0.00 0.06 1.04 -1.26 -5.00 113.70 108.83 1x4j s SER 21 Ca -0.15 -0.03 0.28 0.00 0.48 0.00 0.00 55.95 56.53 1x4j s SER 21 Cb 0.02 -1.27 1.04 0.00 0.10 0.00 0.00 66.02 65.92 1x4j s SER 21 CO 0.53 0.30 1.77 -1.84 0.98 0.00 0.00 173.24 174.98 1x4j n GLU 22 N 1.57 0.18 -1.52 4.02 0.00 -1.26 -3.71 120.64 119.92 1x4j n GLU 22 Ca -0.15 -0.06 -0.31 0.00 0.00 0.00 0.00 57.16 56.64 1x4j n GLU 22 Cb 0.53 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.53 1x4j n GLU 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x4j n GLN 23 N -1.36 2.94 -1.90 3.44 -0.00 -1.26 -4.97 117.38 114.26 1x4j n GLN 23 Ca 0.09 -3.54 -0.38 0.00 -0.00 0.00 0.00 57.00 53.17 1x4j n GLN 23 Cb 0.32 -2.28 -0.03 0.00 -0.00 0.00 0.00 30.24 28.25 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 -4.72 3.26 0.02 -0.39 -4.23 -1.24 -4.93 115.64 103.42 1x4j s THR 24 Ca 0.61 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 1x4j s THR 24 Cb 0.48 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 1x4j s THR 24 CO 0.01 -0.62 0.08 -0.22 -0.54 0.00 0.00 174.62 173.33 1x4j s LEU 25 N 9.84 1.83 -0.83 4.79 0.20 -1.26 -4.35 118.68 128.91 1x4j s LEU 25 Ca 0.77 -0.44 -0.20 0.00 0.69 0.00 0.00 54.13 54.95 1x4j s LEU 25 Cb -0.15 0.51 0.11 0.00 -0.43 0.00 0.00 46.19 46.23 1x4j s LEU 25 CO 0.23 -0.42 1.06 0.00 -0.29 0.00 0.00 176.35 176.93 1x4j h VAL 27 N 5.91 0.63 0.20 0.00 3.04 -1.84 1.33 116.25 125.53 1x4j h VAL 27 Ca -0.01 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1x4j h VAL 27 Cb 1.04 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 1x4j h VAL 27 CO 1.14 0.04 -0.17 0.58 -1.01 0.00 0.00 177.57 178.16 1x4j h VAL 28 N 0.23 0.00 -0.71 1.51 2.07 -1.90 -3.13 116.25 114.32 1x4j h VAL 28 Ca 0.44 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.77 1x4j h VAL 28 Cb 1.36 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.02 1x4j h VAL 28 CO -0.11 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.72 1x4j n MET 30 N -0.14 -1.28 -4.71 0.00 0.00 0.45 -4.87 117.12 106.58 1x4j n MET 30 Ca 0.40 0.08 -0.29 0.00 0.00 0.00 0.00 57.70 57.89 1x4j n MET 30 Cb 1.36 -3.85 -0.14 0.00 0.00 0.00 0.00 33.22 30.59 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 -1.49 3.52 0.24 0.00 1.11 -1.26 0.43 116.67 119.22 1x4j s ASP 32 Ca 0.12 0.78 0.05 0.00 0.18 0.00 0.00 52.55 53.67 1x4j s ASP 32 Cb -0.10 -1.22 -0.03 0.00 1.07 0.00 0.00 42.92 42.64 1x4j s ASP 32 CO 0.03 -2.52 0.34 -0.36 1.18 0.00 0.00 175.17 173.84 1x4j s PHE 33 N -3.44 3.42 0.04 4.23 0.08 -1.26 -4.78 117.98 116.27 1x4j s PHE 33 Ca 0.65 -0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.73 1x4j s PHE 33 Cb -0.12 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1x4j s PHE 33 CO 0.52 0.45 -0.08 -2.00 -0.10 0.00 0.00 175.22 174.02 1x4j s GLU 34 N -3.93 2.39 0.64 0.44 2.56 -1.26 -4.99 118.70 114.56 1x4j s GLU 34 Ca 0.34 -0.84 0.29 0.00 0.00 0.00 0.00 54.97 54.75 1x4j s GLU 34 Cb -0.09 -2.42 1.55 0.00 2.00 0.00 0.00 34.13 35.16 1x4j s GLU 34 CO 0.29 0.56 1.89 1.03 -0.56 0.00 0.00 175.26 178.47 1x4j h SER 35 N 4.15 0.00 -2.00 -1.70 0.87 -1.95 -1.50 113.55 111.42 1x4j h SER 35 Ca -0.48 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.48 1x4j h SER 35 Cb 1.17 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.71 1x4j h SER 35 CO 0.53 0.00 -0.62 0.54 -0.53 0.00 0.00 176.83 176.76 1x4j n ARG 36 N -3.12 3.36 -3.73 2.24 1.74 -1.26 -3.98 116.66 111.89 1x4j n ARG 36 Ca 0.01 -4.71 -0.12 0.00 -0.77 0.00 0.00 57.85 52.26 1x4j n ARG 36 Cb 0.47 -2.25 -0.12 0.00 -1.02 0.00 0.00 32.46 29.54 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 -3.53 0.26 -0.03 5.56 -1.52 -0.57 -5.04 119.66 114.80 1x4j s GLN 37 Ca 0.48 0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 54.13 1x4j s GLN 37 Cb 0.33 -0.04 -0.05 0.00 -0.22 0.00 0.00 33.01 33.03 1x4j s GLN 37 CO -0.16 -0.13 1.40 -1.17 -0.25 0.00 0.00 175.29 174.98 1x4j s LEU 38 N 1.03 4.30 0.36 2.90 2.96 -1.26 -3.40 118.68 125.56 1x4j s LEU 38 Ca -0.07 2.06 0.09 0.00 -0.22 0.00 0.00 54.13 55.98 1x4j s LEU 38 Cb -0.08 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 1x4j s LEU 38 CO -0.07 -0.74 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.43 1x4j s LEU 39 N 2.74 2.86 -0.10 -0.68 1.43 -1.16 -2.27 118.68 121.50 1x4j s LEU 39 Ca 0.63 -1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1x4j s LEU 39 Cb -0.30 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 44.84 1x4j s LEU 39 CO 0.25 -0.29 -0.08 -0.13 0.23 0.00 0.00 176.35 176.32 1x4j s ARG 40 N -3.68 1.53 -0.45 1.70 1.81 0.95 -4.03 118.95 116.77 1x4j s ARG 40 Ca 0.34 -0.27 -0.20 0.00 -1.72 0.00 0.00 55.73 53.88 1x4j s ARG 40 Cb 0.04 -1.54 0.03 0.00 -0.45 0.00 0.00 34.95 33.03 1x4j s ARG 40 CO 0.18 -0.22 0.65 0.08 -0.68 0.00 0.00 175.30 175.30 1x4j s VAL 41 N 1.55 4.82 0.92 3.52 1.01 -1.26 -0.74 120.40 130.23 1x4j s VAL 41 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1x4j s VAL 41 Cb -0.13 -4.23 0.14 0.00 0.00 0.00 0.00 36.38 32.16 1x4j s VAL 41 CO -0.06 -0.65 1.08 0.18 0.00 0.00 0.00 175.10 175.65 1x4j n LEU 42 N 6.28 3.02 0.00 3.92 4.77 0.19 -4.83 117.00 130.36 1x4j n LEU 42 Ca -0.02 0.41 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1x4j n LEU 42 Cb 0.47 -1.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.14 1x4j n LEU 42 CO 0.54 -2.29 0.28 -0.81 -1.33 0.00 0.00 177.39 173.77 1x4j n PRO 43 N -4.02 0.49 -0.17 3.23 -0.04 -1.26 -2.13 135.00 131.09 1x4j n PRO 43 Ca 0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1x4j n PRO 43 Cb 0.52 -1.04 0.16 0.00 -0.04 0.00 0.00 33.50 33.11 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 -1.26 -3.78 -3.80 0.00 2.85 -0.91 -5.04 115.26 103.31 1x4j n ASN 45 Ca 0.17 -0.50 -0.14 0.00 -0.11 0.00 0.00 54.58 54.00 1x4j n ASN 45 Cb 0.69 -4.01 -0.15 0.00 1.24 0.00 0.00 39.78 37.55 1x4j n ASN 45 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1x4j s HIS 46 N -3.28 0.02 0.17 1.20 3.76 -1.24 -4.97 115.29 110.95 1x4j s HIS 46 Ca 0.17 0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 55.03 1x4j s HIS 46 Cb -0.02 -0.16 -0.07 0.00 1.11 0.00 0.00 32.58 33.43 1x4j s HIS 46 CO 0.55 -0.06 0.59 -1.21 -0.85 0.00 0.00 174.74 173.75 1x4j s GLU 47 N 0.75 4.02 0.29 1.40 2.02 -1.26 0.57 118.70 126.48 1x4j s GLU 47 Ca -0.06 0.55 -0.09 0.00 0.02 0.00 0.00 54.97 55.39 1x4j s GLU 47 Cb -0.09 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1x4j s GLU 47 CO -0.02 0.44 0.48 -0.06 0.02 0.00 0.00 175.26 176.12 1x4j s PHE 48 N -1.52 0.63 -0.33 1.61 0.08 0.08 -4.59 117.98 113.94 1x4j s PHE 48 Ca 0.40 -0.97 -0.21 0.00 0.12 0.00 0.00 56.93 56.27 1x4j s PHE 48 Cb -0.15 0.11 -0.00 0.00 -0.57 0.00 0.00 43.02 42.41 1x4j s PHE 48 CO 0.20 -1.07 0.69 -1.01 -0.10 0.00 0.00 175.22 173.92 1x4j s HIS 49 N -3.55 3.18 0.43 0.36 3.76 -1.26 -0.03 115.29 118.17 1x4j s HIS 49 Ca 0.26 0.55 0.33 0.00 -0.15 0.00 0.00 55.06 56.04 1x4j s HIS 49 Cb -0.01 -3.14 1.43 0.00 1.11 0.00 0.00 32.58 31.97 1x4j s HIS 49 CO 0.13 -0.58 1.46 0.00 -0.85 0.00 0.00 174.74 174.91 1x4j n ALA 50 N 6.08 1.35 -0.06 -1.40 0.00 -0.96 0.46 120.51 125.97 1x4j n ALA 50 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 53.44 54.11 1x4j n ALA 50 Cb 0.49 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.81 1x4j n ALA 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1x4j h LYS 51 N 0.00 -0.00 0.40 0.00 2.10 -1.91 -3.06 116.57 114.09 1x4j h LYS 51 Ca 0.83 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.46 1x4j h LYS 51 Cb 2.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.11 1x4j h LYS 51 CO -0.38 0.89 -0.20 0.00 -2.00 0.00 0.00 179.45 177.76 1x4j h VAL 53 N -0.54 0.36 -0.35 0.00 3.04 -0.83 0.41 116.25 118.34 1x4j h VAL 53 Ca -0.05 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.56 1x4j h VAL 53 Cb 0.42 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.87 1x4j h VAL 53 CO 0.09 0.03 0.13 -0.78 -1.01 0.00 0.00 177.57 176.03 1x4j h ASP 54 N 0.16 0.49 -0.01 3.17 3.58 -1.38 -0.55 116.42 121.88 1x4j h ASP 54 Ca 0.65 -0.18 -0.25 0.00 0.42 0.00 0.00 57.03 57.68 1x4j h ASP 54 Cb 2.17 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 43.11 1x4j h ASP 54 CO -0.19 0.54 -0.95 0.50 -2.88 0.00 0.00 179.24 176.25 1x4j h LYS 55 N 0.42 0.66 0.76 0.28 3.64 0.23 -3.29 116.57 119.27 1x4j h LYS 55 Ca 0.12 -0.70 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 1x4j h LYS 55 Cb 0.21 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1x4j h LYS 55 CO -0.01 1.29 -0.43 2.35 -2.27 0.00 0.00 179.45 180.38 1x4j h TRP 56 N 0.32 -1.13 -1.38 1.91 2.91 -0.58 -2.06 115.95 115.94 1x4j h TRP 56 Ca -0.12 -0.02 0.40 0.00 1.13 0.00 0.00 58.89 60.29 1x4j h TRP 56 Cb 1.62 0.39 -0.06 0.00 -0.51 0.00 0.00 29.16 30.60 1x4j h TRP 56 CO 0.11 -0.66 1.08 -0.07 -1.03 0.00 0.00 178.44 177.87 1x4j h LEU 57 N -1.10 0.00 -0.25 0.65 3.38 -1.16 0.66 115.31 117.49 1x4j h LEU 57 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1x4j h LEU 57 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1x4j h LEU 57 CO 0.12 0.00 0.07 0.50 0.09 0.00 0.00 178.44 179.23 1x4j h LYS 58 N 0.00 0.40 0.06 1.13 3.64 -1.43 -3.27 116.57 117.09 1x4j h LYS 58 Ca 0.66 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.81 1x4j h LYS 58 Cb 2.81 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 34.58 1x4j h LYS 58 CO -0.01 0.48 -0.66 0.00 -2.27 0.00 0.00 179.45 176.99 1x4j h ALA 59 N 0.90 0.04 -3.47 5.00 0.00 0.17 -3.44 119.26 118.46 1x4j h ALA 59 Ca 0.08 -0.76 -0.67 0.00 0.00 0.00 0.00 54.91 53.56 1x4j h ALA 59 Cb 0.25 0.22 -0.36 0.00 0.00 0.00 0.00 17.79 17.91 1x4j h ALA 59 CO -0.00 0.35 -0.82 -0.80 0.00 0.00 0.00 179.25 177.98 1x4j s ASN 60 N -6.67 3.88 -0.01 0.00 0.02 0.74 -4.99 114.94 107.91 1x4j s ASN 60 Ca -0.19 -1.03 -0.00 0.00 -1.02 0.00 0.00 52.86 50.61 1x4j s ASN 60 Cb 0.01 -1.53 -0.01 0.00 0.02 0.00 0.00 41.25 39.74 1x4j s ASN 60 CO 0.73 -0.10 2.07 0.54 0.02 0.00 0.00 177.10 180.36 1x4j n ARG 61 N 4.53 1.06 -3.95 -0.60 3.00 -1.23 -3.62 116.66 115.86 1x4j n ARG 61 Ca -0.17 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.85 57.50 1x4j n ARG 61 Cb 0.46 -1.06 -0.06 0.00 0.00 0.00 0.00 32.46 31.80 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 -0.00 0.04 -0.03 0.55 -4.23 -1.26 -2.89 115.64 107.82 1x4j s THR 62 Ca 0.04 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 1x4j s THR 62 Cb 0.02 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1x4j s THR 62 CO -0.00 -0.20 1.34 0.00 -0.54 0.00 0.00 174.62 175.22 1x4j n PRO 64 N 5.53 0.48 0.01 0.00 -0.04 -1.26 -0.05 135.00 139.68 1x4j n PRO 64 Ca 0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1x4j n PRO 64 Cb 0.44 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.55 0.82 -1.11 0.52 5.41 -1.26 -4.81 119.36 118.38 1x4j n ILE 65 Ca 0.01 0.26 0.01 0.00 1.00 0.00 0.00 62.75 64.03 1x4j n ILE 65 Cb 0.01 -1.52 0.27 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 -0.51 -2.03 -2.24 0.00 3.00 0.93 -4.79 116.66 111.01 1x4j n ARG 67 Ca 0.31 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.72 1x4j n ARG 67 Cb 1.10 -4.10 -0.03 0.00 0.00 0.00 0.00 32.46 29.43 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4j s ALA 68 N -1.49 3.59 -0.34 7.54 0.00 -1.25 -4.49 121.76 125.32 1x4j s ALA 68 Ca 0.00 0.81 -0.38 0.00 0.00 0.00 0.00 51.96 52.39 1x4j s ALA 68 Cb 0.00 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.37 1x4j s ALA 68 CO 0.00 -1.01 2.02 -3.47 0.00 0.00 0.00 175.76 173.31 1x4j n ASP 69 N 5.77 2.03 -2.04 0.00 2.03 -1.26 -1.32 116.55 121.76 1x4j n ASP 69 Ca 0.14 0.69 -0.20 0.00 0.52 0.00 0.00 54.79 55.93 1x4j n ASP 69 Cb 0.44 -1.17 0.03 0.00 -0.72 0.00 0.00 41.12 39.70 1x4j n ASP 69 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x4j n SER 70 N 7.90 6.62 0.00 1.67 7.64 -1.14 -4.88 113.62 131.42 1x4j n SER 70 Ca 0.38 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 57.09 1x4j n SER 70 Cb 0.15 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1x4j n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4j n GLY 71 N 0.28 4.67 0.01 0.23 0.00 -1.26 -4.90 105.19 104.22 1x4j n GLY 71 Ca 0.37 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1x4j n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4j n PRO 72 N -1.95 0.49 -1.01 1.61 -0.04 -1.26 -4.88 135.00 127.95 1x4j n PRO 72 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1x4j n PRO 72 Cb 0.00 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1x4j n PRO 72 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4j n SER 73 N -0.49 0.69 -3.67 3.54 7.64 -1.26 -4.90 113.62 115.18 1x4j n SER 73 Ca 0.00 0.67 -0.30 0.00 1.01 0.00 0.00 58.87 60.26 1x4j n SER 73 Cb 0.00 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 62.52 1x4j n SER 73 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4j s SER 74 N 2.13 3.80 0.00 6.43 0.15 -1.26 -5.15 113.70 119.79 1x4j s SER 74 Ca 0.65 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1x4j s SER 74 Cb -0.91 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1x4j s SER 74 CO 0.48 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.14