#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 4.41 -0.43 1.61 0.15 -1.26 -3.82 113.70 114.35 1x4j s SER 2 Ca 0.00 -3.51 0.04 0.00 0.70 0.00 0.00 55.95 53.18 1x4j s SER 2 Cb 0.00 -1.53 0.45 0.00 -1.71 0.00 0.00 66.02 63.23 1x4j s SER 2 CO 0.00 -0.14 1.44 -1.20 1.20 0.00 0.00 173.24 174.54 1x4j n SER 3 N 2.42 5.74 0.00 5.45 7.64 -1.26 -4.82 113.62 128.79 1x4j n SER 3 Ca 0.16 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1x4j n SER 3 Cb 0.35 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1x4j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4j n GLY 4 N -0.72 0.68 3.23 0.23 0.00 -1.26 -4.58 105.19 102.76 1x4j n GLY 4 Ca 0.49 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -5.73 0.09 1.61 2.88 -1.26 -4.92 113.62 106.29 1x4j n SER 5 Ca 0.00 -0.43 -0.16 0.00 -1.33 0.00 0.00 58.87 56.95 1x4j n SER 5 Cb 0.00 -4.38 -0.10 0.00 -0.75 0.00 0.00 64.21 58.98 1x4j n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1x4j h SER 6 N -2.16 0.51 0.00 -3.46 4.64 -1.81 -3.42 113.55 107.85 1x4j h SER 6 Ca -0.48 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.35 1x4j h SER 6 Cb 1.32 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1x4j h SER 6 CO 0.48 1.34 0.00 0.61 -0.87 0.00 0.00 176.83 178.39 1x4j n GLY 7 N 1.30 -0.46 3.64 -0.77 0.00 -1.25 -5.06 105.19 102.59 1x4j n GLY 7 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1x4j n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x4j s GLN 8 N -0.81 0.60 0.59 1.61 -2.07 -1.26 -5.13 119.66 113.19 1x4j s GLN 8 Ca 0.00 0.92 -0.14 0.00 -1.82 0.00 0.00 55.36 54.32 1x4j s GLN 8 Cb 0.00 0.19 -0.12 0.00 -1.09 0.00 0.00 33.01 31.99 1x4j s GLN 8 CO 0.00 -0.11 -0.35 1.28 -1.32 0.00 0.00 175.29 174.79 1x4j n LEU 9 N 3.50 -3.84 -4.77 2.60 4.77 -1.26 -4.85 117.00 113.14 1x4j n LEU 9 Ca -0.17 0.35 -0.37 0.00 -0.03 0.00 0.00 56.01 55.79 1x4j n LEU 9 Cb 0.57 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1x4j n LEU 9 CO 0.01 -4.34 0.82 -2.16 -1.33 0.00 0.00 177.39 170.39 1x4j s PRO 10 N -1.18 3.70 -0.18 3.23 0.04 -1.26 -5.04 135.00 134.31 1x4j s PRO 10 Ca 0.40 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 1x4j s PRO 10 Cb -0.28 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 1x4j s PRO 10 CO 0.60 -0.59 -0.02 -1.54 0.04 0.00 0.00 177.00 175.48 1x4j s SER 11 N -1.42 4.73 0.04 6.66 1.04 -1.26 -4.67 113.70 118.81 1x4j s SER 11 Ca 0.65 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.86 1x4j s SER 11 Cb -0.28 -1.79 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 1x4j s SER 11 CO 0.33 0.09 -0.01 -0.72 0.98 0.00 0.00 173.24 173.91 1x4j s TYR 12 N 0.81 0.37 -0.09 5.02 1.13 -1.26 -5.06 117.35 118.27 1x4j s TYR 12 Ca -0.00 -0.78 -0.03 0.00 -1.41 0.00 0.00 57.07 54.85 1x4j s TYR 12 Cb -0.14 -0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 40.40 1x4j s TYR 12 CO 0.02 -0.30 0.02 1.03 -2.51 0.00 0.00 175.55 173.81 1x4j s ARG 13 N -2.75 3.05 0.14 -3.49 0.52 -1.26 -3.35 118.95 111.80 1x4j s ARG 13 Ca -0.04 -0.37 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 1x4j s ARG 13 Cb -0.01 -2.85 -0.10 0.00 0.52 0.00 0.00 34.95 32.51 1x4j s ARG 13 CO -0.06 0.71 1.69 0.12 0.02 0.00 0.00 175.30 177.79 1x4j s PHE 14 N -0.92 2.60 -0.28 -0.53 2.19 -1.24 -4.91 117.98 114.89 1x4j s PHE 14 Ca 0.14 0.31 0.00 0.00 0.33 0.00 0.00 56.93 57.71 1x4j s PHE 14 Cb -0.11 -4.05 0.09 0.00 -1.31 0.00 0.00 43.02 37.63 1x4j s PHE 14 CO 0.03 -4.12 0.05 -0.80 1.83 0.00 0.00 175.22 172.21 1x4j s ASN 15 N 1.93 3.97 0.00 6.13 -0.87 -1.26 -3.54 114.94 121.30 1x4j s ASN 15 Ca 0.75 -1.51 0.15 0.00 -1.57 0.00 0.00 52.86 50.67 1x4j s ASN 15 Cb -0.44 -1.03 0.70 0.00 -0.02 0.00 0.00 41.25 40.46 1x4j s ASN 15 CO 0.33 -0.35 1.42 -0.81 -2.57 0.00 0.00 177.10 175.12 1x4j n PRO 16 N 4.73 0.14 -0.04 -0.60 -0.04 -1.26 -2.91 135.00 135.02 1x4j n PRO 16 Ca -0.04 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 1x4j n PRO 16 Cb 0.43 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.24 -4.00 3.54 2.35 -2.02 -3.47 115.58 112.22 1x4j h ASN 17 Ca 0.00 -0.75 -0.34 0.00 -0.55 0.00 0.00 56.30 54.66 1x4j h ASN 17 Cb 0.18 -0.08 -0.28 0.00 0.05 0.00 0.00 38.32 38.19 1x4j h ASN 17 CO 0.00 1.65 -0.76 0.20 -1.65 0.00 0.00 177.43 176.87 1x4j s ASN 18 N -6.96 0.74 0.12 5.81 -0.87 -1.15 -5.15 114.94 107.49 1x4j s ASN 18 Ca -0.24 -0.14 -0.26 0.00 -1.57 0.00 0.00 52.86 50.64 1x4j s ASN 18 Cb 0.06 -0.07 0.07 0.00 -0.02 0.00 0.00 41.25 41.29 1x4j s ASN 18 CO 0.70 0.06 1.03 -2.28 -2.57 0.00 0.00 177.10 174.03 1x4j s HIS 19 N -0.23 -0.11 -0.08 2.20 2.46 -1.26 -4.47 115.29 113.80 1x4j s HIS 19 Ca 0.02 -0.16 -0.10 0.00 0.47 0.00 0.00 55.06 55.29 1x4j s HIS 19 Cb -0.03 0.62 -0.29 0.00 -0.13 0.00 0.00 32.58 32.76 1x4j s HIS 19 CO -0.00 -0.72 0.53 -0.56 -2.47 0.00 0.00 174.74 171.51 1x4j h GLN 20 N 2.00 0.33 -5.18 2.88 -0.00 -2.01 -3.48 115.11 109.65 1x4j h GLN 20 Ca -0.25 -0.56 -0.57 0.00 -0.00 0.00 0.00 58.65 57.27 1x4j h GLN 20 Cb 1.22 0.21 -0.13 0.00 -0.00 0.00 0.00 27.48 28.78 1x4j h GLN 20 CO 0.26 1.27 -0.55 -1.54 -0.00 0.00 0.00 178.83 178.27 1x4j s SER 21 N -7.18 3.05 0.00 0.06 1.04 -1.26 -5.06 113.70 104.35 1x4j s SER 21 Ca -0.19 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.68 1x4j s SER 21 Cb 0.06 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x4j s SER 21 CO 0.81 -0.78 0.77 -1.84 0.98 0.00 0.00 173.24 173.17 1x4j n GLU 22 N -0.93 1.36 -1.31 4.02 0.28 -1.26 -4.74 120.64 118.06 1x4j n GLU 22 Ca -0.08 -1.05 -0.28 0.00 -0.16 0.00 0.00 57.16 55.59 1x4j n GLU 22 Cb 0.66 -0.95 0.03 0.00 1.43 0.00 0.00 31.44 32.61 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 -0.28 2.35 -2.50 3.44 10.64 -1.26 -4.92 117.38 124.85 1x4j n GLN 23 Ca 0.00 -2.57 -0.41 0.00 -1.83 0.00 0.00 57.00 52.19 1x4j n GLN 23 Cb 0.18 -2.04 -0.03 0.00 -0.86 0.00 0.00 30.24 27.49 1x4j n GLN 23 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1x4j s THR 24 N -3.53 3.69 -0.02 -0.39 -1.32 -1.26 -4.96 115.64 107.85 1x4j s THR 24 Ca 0.51 0.35 -0.07 0.00 -1.21 0.00 0.00 61.69 61.27 1x4j s THR 24 Cb 0.39 -4.84 0.01 0.00 -1.51 0.00 0.00 72.50 66.55 1x4j s THR 24 CO -0.11 -1.78 0.15 -0.22 -2.21 0.00 0.00 174.62 170.45 1x4j s LEU 25 N 6.02 1.49 -0.87 9.08 0.20 -1.26 -4.42 118.68 128.91 1x4j s LEU 25 Ca 0.38 -0.02 -0.11 0.00 0.69 0.00 0.00 54.13 55.07 1x4j s LEU 25 Cb -0.08 0.64 0.23 0.00 -0.43 0.00 0.00 46.19 46.54 1x4j s LEU 25 CO 0.15 -0.26 0.81 0.00 -0.29 0.00 0.00 176.35 176.76 1x4j h VAL 27 N 4.55 0.08 0.18 0.00 3.04 -1.88 2.06 116.25 124.26 1x4j h VAL 27 Ca 0.12 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1x4j h VAL 27 Cb 0.99 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 1x4j h VAL 27 CO 0.81 0.01 -0.20 0.58 -1.01 0.00 0.00 177.57 177.76 1x4j h VAL 28 N 0.06 0.00 -0.58 1.51 2.07 -1.90 -3.11 116.25 114.30 1x4j h VAL 28 Ca 0.84 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 68.26 1x4j h VAL 28 Cb 2.64 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1x4j h VAL 28 CO -0.46 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.25 1x4j n MET 30 N -0.05 -0.95 -4.06 0.00 0.00 0.68 -4.87 117.12 107.88 1x4j n MET 30 Ca 0.33 0.06 -0.17 0.00 0.00 0.00 0.00 57.70 57.92 1x4j n MET 30 Cb 1.22 -2.18 -0.15 0.00 0.00 0.00 0.00 33.22 32.10 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 0.54 6.66 0.75 0.00 -1.08 -1.26 -2.18 116.67 120.09 1x4j s ASP 32 Ca -0.06 2.23 -0.17 0.00 -0.52 0.00 0.00 52.55 54.03 1x4j s ASP 32 Cb -0.09 -2.53 -0.15 0.00 -1.46 0.00 0.00 42.92 38.69 1x4j s ASP 32 CO -0.01 -0.94 -0.47 0.49 0.52 0.00 0.00 175.17 174.77 1x4j n PHE 33 N 7.18 -4.05 -3.85 -5.34 3.72 -1.26 -4.96 117.46 108.89 1x4j n PHE 33 Ca 0.17 0.20 -0.21 0.00 -0.05 0.00 0.00 57.45 57.56 1x4j n PHE 33 Cb 0.43 -1.53 -0.02 0.00 -0.94 0.00 0.00 39.48 37.42 1x4j n PHE 33 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1x4j s GLU 34 N -1.50 3.31 0.46 -1.08 2.02 -1.26 -5.07 118.70 115.59 1x4j s GLU 34 Ca 0.47 -0.85 -0.21 0.00 0.02 0.00 0.00 54.97 54.40 1x4j s GLU 34 Cb -0.33 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 30.97 1x4j s GLU 34 CO 0.74 0.33 1.04 -1.54 0.02 0.00 0.00 175.26 175.85 1x4j s SER 35 N -4.02 6.45 -1.11 -0.19 1.04 -1.26 -3.87 113.70 110.74 1x4j s SER 35 Ca 0.37 1.95 -0.00 0.00 0.48 0.00 0.00 55.95 58.74 1x4j s SER 35 Cb -0.09 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.46 1x4j s SER 35 CO 0.29 -0.70 0.93 0.54 0.98 0.00 0.00 173.24 175.27 1x4j n ARG 36 N -0.76 -6.07 -3.86 4.02 5.12 -1.23 -4.95 116.66 108.93 1x4j n ARG 36 Ca 0.08 0.79 -0.12 0.00 -1.93 0.00 0.00 57.85 56.68 1x4j n ARG 36 Cb 0.52 -5.63 -0.11 0.00 -1.16 0.00 0.00 32.46 26.08 1x4j n ARG 36 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1x4j s GLN 37 N -5.24 0.33 0.12 5.56 -1.52 -1.25 -5.00 119.66 112.65 1x4j s GLN 37 Ca 0.01 -0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 1x4j s GLN 37 Cb -0.00 0.14 -0.06 0.00 -0.22 0.00 0.00 33.01 32.87 1x4j s GLN 37 CO 0.68 -0.07 1.08 -1.17 -0.25 0.00 0.00 175.29 175.56 1x4j s LEU 38 N -0.73 4.45 0.17 2.90 2.96 -1.26 -3.68 118.68 123.48 1x4j s LEU 38 Ca -0.08 1.96 0.05 0.00 -0.22 0.00 0.00 54.13 55.84 1x4j s LEU 38 Cb -0.05 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1x4j s LEU 38 CO 0.01 -0.25 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.93 1x4j s LEU 39 N 0.19 2.51 -0.11 -0.68 1.43 -1.21 -3.21 118.68 117.60 1x4j s LEU 39 Ca 0.51 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1x4j s LEU 39 Cb -0.27 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.57 1x4j s LEU 39 CO 0.32 -0.32 -0.10 -0.13 0.23 0.00 0.00 176.35 176.36 1x4j s ARG 40 N -3.74 1.68 -0.31 1.70 1.81 -0.90 -4.33 118.95 114.86 1x4j s ARG 40 Ca 0.19 -0.33 -0.17 0.00 -1.72 0.00 0.00 55.73 53.69 1x4j s ARG 40 Cb 0.02 -1.63 -0.02 0.00 -0.45 0.00 0.00 34.95 32.88 1x4j s ARG 40 CO 0.02 -0.20 0.48 0.08 -0.68 0.00 0.00 175.30 175.01 1x4j s VAL 41 N 1.45 5.07 0.87 3.52 1.01 -1.26 -1.86 120.40 129.20 1x4j s VAL 41 Ca 0.01 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 1x4j s VAL 41 Cb -0.13 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1x4j s VAL 41 CO -0.06 -0.06 1.00 0.18 0.00 0.00 0.00 175.10 176.16 1x4j n LEU 42 N 5.60 2.98 0.00 3.92 4.77 0.27 -4.84 117.00 129.70 1x4j n LEU 42 Ca -0.05 0.48 0.04 0.00 -0.03 0.00 0.00 56.01 56.44 1x4j n LEU 42 Cb 0.49 -1.43 0.23 0.00 -2.33 0.00 0.00 43.42 40.39 1x4j n LEU 42 CO 0.42 -2.30 0.45 -0.81 -1.33 0.00 0.00 177.39 173.83 1x4j n PRO 43 N -3.22 0.49 -0.32 3.23 -0.04 -1.26 -2.05 135.00 131.83 1x4j n PRO 43 Ca 0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1x4j n PRO 43 Cb 0.51 -1.25 0.23 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.63 -2.98 -4.13 0.00 2.85 -0.87 -5.05 115.26 105.71 1x4j n ASN 45 Ca 0.17 -0.11 -0.28 0.00 -0.11 0.00 0.00 54.58 54.26 1x4j n ASN 45 Cb 0.61 -1.74 -0.17 0.00 1.24 0.00 0.00 39.78 39.72 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 -2.87 1.91 0.17 1.20 3.76 -1.23 -4.97 115.29 113.26 1x4j s HIS 46 Ca 0.12 -0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 54.19 1x4j s HIS 46 Cb -0.05 -1.31 -0.07 0.00 1.11 0.00 0.00 32.58 32.25 1x4j s HIS 46 CO 0.15 -0.28 0.59 -1.21 -0.85 0.00 0.00 174.74 173.14 1x4j s GLU 47 N 0.33 4.04 0.30 1.40 2.02 -1.26 0.96 118.70 126.49 1x4j s GLU 47 Ca -0.12 0.58 -0.08 0.00 0.02 0.00 0.00 54.97 55.37 1x4j s GLU 47 Cb -0.15 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1x4j s GLU 47 CO 0.05 0.45 0.50 -0.06 0.02 0.00 0.00 175.26 176.22 1x4j s PHE 48 N -1.49 0.66 -0.13 1.61 0.08 -0.78 -4.67 117.98 113.27 1x4j s PHE 48 Ca 0.39 -1.00 -0.24 0.00 0.12 0.00 0.00 56.93 56.20 1x4j s PHE 48 Cb -0.15 0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 1x4j s PHE 48 CO 0.20 -1.11 0.75 -1.01 -0.10 0.00 0.00 175.22 173.95 1x4j s HIS 49 N -3.41 3.48 0.55 0.36 3.76 -1.26 -2.12 115.29 116.66 1x4j s HIS 49 Ca 0.26 1.22 0.46 0.00 -0.15 0.00 0.00 55.06 56.84 1x4j s HIS 49 Cb -0.01 -2.90 1.68 0.00 1.11 0.00 0.00 32.58 32.47 1x4j s HIS 49 CO 0.14 -0.09 1.64 0.00 -0.85 0.00 0.00 174.74 175.58 1x4j h ALA 50 N 7.11 3.64 0.00 -1.40 0.00 -1.84 0.37 119.26 127.14 1x4j h ALA 50 Ca -0.35 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1x4j h ALA 50 Cb 1.16 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1x4j h ALA 50 CO 0.79 -2.14 -0.74 1.57 0.00 0.00 0.00 179.25 178.73 1x4j h LYS 51 N 0.00 0.00 -0.04 0.00 2.10 -1.91 -3.30 116.57 113.43 1x4j h LYS 51 Ca 0.83 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 59.49 1x4j h LYS 51 Cb 3.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 34.63 1x4j h LYS 51 CO -0.02 0.38 -0.19 0.00 -2.00 0.00 0.00 179.45 177.62 1x4j h VAL 53 N -0.21 0.33 -0.79 0.00 3.04 -1.24 0.48 116.25 117.85 1x4j h VAL 53 Ca 0.01 -0.10 0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1x4j h VAL 53 Cb 0.24 0.02 -0.05 0.00 -2.01 0.00 0.00 31.29 29.49 1x4j h VAL 53 CO -0.15 0.05 0.50 0.44 -1.01 0.00 0.00 177.57 177.40 1x4j h ASP 54 N 0.28 0.80 -0.22 3.17 5.19 -1.35 0.14 116.42 124.44 1x4j h ASP 54 Ca 0.63 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.90 1x4j h ASP 54 Cb 1.33 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1x4j h ASP 54 CO -0.62 0.53 -0.44 0.50 -3.12 0.00 0.00 179.24 176.09 1x4j h LYS 55 N 0.94 0.69 -0.33 3.56 3.64 0.12 -2.61 116.57 122.58 1x4j h LYS 55 Ca 0.33 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1x4j h LYS 55 Cb 0.08 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1x4j h LYS 55 CO -0.14 1.07 0.00 2.35 -2.27 0.00 0.00 179.45 180.46 1x4j h TRP 56 N 0.40 0.52 0.00 1.91 2.91 -0.50 -2.12 115.95 119.07 1x4j h TRP 56 Ca 0.01 -0.05 -0.10 0.00 1.13 0.00 0.00 58.89 59.88 1x4j h TRP 56 Cb 1.05 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 1x4j h TRP 56 CO 0.09 0.52 -0.47 -0.07 -1.03 0.00 0.00 178.44 177.47 1x4j h LEU 57 N 0.49 0.00 -0.23 0.65 3.38 -0.68 0.87 115.31 119.79 1x4j h LEU 57 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1x4j h LEU 57 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1x4j h LEU 57 CO 0.01 0.47 0.11 0.11 0.09 0.00 0.00 178.44 179.23 1x4j h LYS 58 N 0.00 0.34 0.02 1.13 1.57 -0.99 -3.32 116.57 115.32 1x4j h LYS 58 Ca -0.00 -0.05 -0.37 0.00 -1.87 0.00 0.00 60.65 58.35 1x4j h LYS 58 Cb 1.01 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1x4j h LYS 58 CO 0.06 0.36 -2.09 0.00 -0.57 0.00 0.00 179.45 177.21 1x4j n ALA 59 N -2.23 1.08 -3.43 3.86 0.00 -1.18 -4.82 120.51 113.79 1x4j n ALA 59 Ca -0.03 -0.84 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 1x4j n ALA 59 Cb 0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 1x4j n ALA 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1x4j s ASN 60 N -7.03 5.53 0.00 0.00 -0.87 0.30 -4.97 114.94 107.90 1x4j s ASN 60 Ca -0.32 -1.63 -0.04 0.00 -1.57 0.00 0.00 52.86 49.29 1x4j s ASN 60 Cb 0.10 -1.94 -0.19 0.00 -0.02 0.00 0.00 41.25 39.19 1x4j s ASN 60 CO 0.59 -0.54 2.91 -2.11 -2.57 0.00 0.00 177.10 175.39 1x4j n ARG 61 N 4.84 1.55 -3.92 -0.60 1.85 -1.25 -3.32 116.66 115.81 1x4j n ARG 61 Ca -0.09 -0.72 -0.11 0.00 -1.00 0.00 0.00 57.85 55.93 1x4j n ARG 61 Cb 0.42 -1.80 -0.00 0.00 -1.05 0.00 0.00 32.46 30.03 1x4j n ARG 61 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x4j s THR 62 N 1.20 0.00 -0.13 8.89 -4.23 -1.26 -4.16 115.64 115.95 1x4j s THR 62 Ca 0.48 -1.25 -0.22 0.00 -1.18 0.00 0.00 61.69 59.52 1x4j s THR 62 Cb 0.23 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1x4j s THR 62 CO 0.00 0.00 0.67 0.00 -0.54 0.00 0.00 174.62 174.75 1x4j n PRO 64 N 4.40 0.49 0.01 0.00 -0.04 -1.26 -0.38 135.00 138.22 1x4j n PRO 64 Ca -0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.45 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 -0.51 0.38 -1.03 0.52 5.41 -1.26 -4.82 119.36 118.04 1x4j n ILE 65 Ca 0.00 0.14 -0.00 0.00 1.00 0.00 0.00 62.75 63.89 1x4j n ILE 65 Cb 0.00 -1.22 0.32 0.00 -0.71 0.00 0.00 39.64 38.03 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 -0.09 -2.02 -0.47 0.00 3.00 0.48 -4.84 116.66 112.72 1x4j n ARG 67 Ca 0.34 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.89 1x4j n ARG 67 Cb 1.24 -4.09 0.27 0.00 0.00 0.00 0.00 32.46 29.89 1x4j n ARG 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4j n ALA 68 N -1.74 -4.58 -3.26 7.54 0.00 -1.25 -4.46 120.51 112.76 1x4j n ALA 68 Ca 0.00 -1.53 -0.37 0.00 0.00 0.00 0.00 53.44 51.54 1x4j n ALA 68 Cb 0.26 -0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 1x4j n ALA 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x4j s ASP 69 N -3.50 5.15 0.23 0.00 2.15 -1.26 -1.86 116.67 117.58 1x4j s ASP 69 Ca 0.67 -0.97 -0.02 0.00 0.43 0.00 0.00 52.55 52.66 1x4j s ASP 69 Cb -0.10 -1.85 0.24 0.00 -0.30 0.00 0.00 42.92 40.91 1x4j s ASP 69 CO 0.54 -0.26 1.63 0.77 -0.17 0.00 0.00 175.17 177.69 1x4j h SER 70 N 8.20 0.65 -5.00 -0.34 4.64 -1.89 -3.48 113.55 116.33 1x4j h SER 70 Ca -0.27 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1x4j h SER 70 Cb 1.10 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1x4j h SER 70 CO 0.60 0.91 0.00 0.61 -0.87 0.00 0.00 176.83 178.08 1x4j n GLY 71 N -0.18 3.23 0.07 -0.77 0.00 -1.26 -4.84 105.19 101.44 1x4j n GLY 71 Ca -0.01 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1x4j n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4j h PRO 72 N 0.00 -0.05 -0.86 1.61 0.13 -1.95 -3.01 132.00 127.87 1x4j h PRO 72 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 1x4j h PRO 72 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.01 1x4j h PRO 72 CO 0.00 0.42 -0.35 0.43 -0.23 0.00 0.00 178.00 178.27 1x4j n SER 73 N -4.88 -0.60 -0.17 1.44 7.64 -1.26 0.84 113.62 116.63 1x4j n SER 73 Ca -0.08 1.51 -0.08 0.00 1.01 0.00 0.00 58.87 61.22 1x4j n SER 73 Cb 0.25 -0.33 0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1x4j n SER 73 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x4j h SER 74 N 0.00 0.70 0.00 6.43 4.64 -1.89 -3.55 113.55 119.88 1x4j h SER 74 Ca 0.28 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1x4j h SER 74 Cb 0.50 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1x4j h SER 74 CO -0.85 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 176.42