#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 5.67 -4.83 1.61 3.41 -1.26 -4.88 113.62 113.34 1x4j n SER 2 Ca 0.00 -2.62 -0.37 0.00 -0.26 0.00 0.00 58.87 55.61 1x4j n SER 2 Cb 0.00 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 62.72 1x4j n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4j s SER 3 N 1.47 6.63 0.00 4.04 0.01 -1.26 -5.05 113.70 119.54 1x4j s SER 3 Ca 0.21 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1x4j s SER 3 Cb 0.13 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1x4j s SER 3 CO -0.01 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1x4j n GLY 4 N 2.17 5.25 3.48 3.44 0.00 -1.26 -5.15 105.19 113.12 1x4j n GLY 4 Ca -0.15 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 1x4j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4j s SER 5 N 1.21 4.82 -0.22 1.61 0.15 -1.26 -5.08 113.70 114.92 1x4j s SER 5 Ca 0.00 -0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.47 1x4j s SER 5 Cb 0.00 -1.80 0.07 0.00 -1.71 0.00 0.00 66.02 62.58 1x4j s SER 5 CO 0.00 0.13 0.03 -0.94 1.20 0.00 0.00 173.24 173.66 1x4j s SER 6 N 0.63 3.25 0.00 5.45 1.04 -1.26 -5.06 113.70 117.75 1x4j s SER 6 Ca -0.02 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1x4j s SER 6 Cb -0.14 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.26 1x4j s SER 6 CO 0.02 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x4j n GLY 7 N 4.97 -0.54 3.98 7.32 0.00 -1.26 -5.15 105.19 114.51 1x4j n GLY 7 Ca -0.08 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.41 1.87 0.67 1.61 -0.21 -1.26 -4.44 119.66 117.49 1x4j s GLN 8 Ca 0.00 -1.00 -0.17 0.00 0.02 0.00 0.00 55.36 54.21 1x4j s GLN 8 Cb 0.00 -2.35 -0.07 0.00 1.00 0.00 0.00 33.01 31.59 1x4j s GLN 8 CO 0.00 -1.29 0.42 1.28 -2.12 0.00 0.00 175.29 173.58 1x4j n LEU 9 N -2.74 0.18 -4.59 2.90 4.77 -1.26 -4.97 117.00 111.29 1x4j n LEU 9 Ca 0.13 0.62 -0.30 0.00 -0.03 0.00 0.00 56.01 56.43 1x4j n LEU 9 Cb 0.60 -1.15 0.24 0.00 -2.33 0.00 0.00 43.42 40.78 1x4j n LEU 9 CO 0.43 -3.35 0.62 -2.16 -1.33 0.00 0.00 177.39 171.61 1x4j s PRO 10 N -2.38 -1.34 -0.12 3.23 0.04 -1.26 -5.06 135.00 128.10 1x4j s PRO 10 Ca 0.65 -0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.53 1x4j s PRO 10 Cb -0.38 -1.59 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1x4j s PRO 10 CO 0.58 -3.78 0.26 -1.12 0.04 0.00 0.00 177.00 172.98 1x4j s SER 11 N -3.93 0.23 0.00 6.66 0.01 -1.26 -4.73 113.70 110.69 1x4j s SER 11 Ca 0.71 0.58 -0.26 0.00 1.31 0.00 0.00 55.95 58.29 1x4j s SER 11 Cb -0.09 0.64 0.06 0.00 0.21 0.00 0.00 66.02 66.85 1x4j s SER 11 CO 0.56 -0.23 0.59 -0.72 0.41 0.00 0.00 173.24 173.86 1x4j s TYR 12 N 2.19 -0.54 -0.18 2.43 -0.85 -1.26 -5.05 117.35 114.09 1x4j s TYR 12 Ca -0.01 0.78 -0.23 0.00 -0.52 0.00 0.00 57.07 57.09 1x4j s TYR 12 Cb -0.12 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.58 1x4j s TYR 12 CO -0.09 -0.63 0.72 1.03 -1.52 0.00 0.00 175.55 175.06 1x4j s ARG 13 N -1.85 4.26 0.53 -3.49 0.52 -1.26 -2.99 118.95 114.66 1x4j s ARG 13 Ca -0.08 0.80 -0.19 0.00 -0.52 0.00 0.00 55.73 55.73 1x4j s ARG 13 Cb -0.01 -3.57 -0.10 0.00 0.52 0.00 0.00 34.95 31.79 1x4j s ARG 13 CO 0.04 -0.27 0.50 0.34 0.02 0.00 0.00 175.30 175.93 1x4j n PHE 14 N 5.09 -0.73 -3.88 -0.53 -0.00 -1.19 -4.91 117.46 111.32 1x4j n PHE 14 Ca 0.01 0.48 -0.29 0.00 -0.00 0.00 0.00 57.45 57.65 1x4j n PHE 14 Cb 0.49 -1.95 -0.16 0.00 -0.00 0.00 0.00 39.48 37.86 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 -1.10 3.10 0.23 -2.13 0.01 -1.26 -4.44 114.94 109.34 1x4j s ASN 15 Ca 0.67 -0.82 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 1x4j s ASN 15 Cb -0.48 -0.93 0.22 0.00 0.41 0.00 0.00 41.25 40.47 1x4j s ASN 15 CO 0.56 -0.22 1.59 1.55 -1.51 0.00 0.00 177.10 179.07 1x4j h PRO 16 N 8.10 0.52 -0.26 -0.60 0.13 -1.91 -3.18 132.00 134.80 1x4j h PRO 16 Ca -0.21 -0.27 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x4j h PRO 16 Cb 1.10 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1x4j h PRO 16 CO 0.39 0.85 0.15 -0.91 -0.23 0.00 0.00 178.00 178.26 1x4j h ASN 17 N 0.42 0.32 -3.00 1.44 2.35 -1.98 -3.40 115.58 111.72 1x4j h ASN 17 Ca 0.03 -0.06 -0.49 0.00 -0.55 0.00 0.00 56.30 55.23 1x4j h ASN 17 Cb 0.93 -0.08 -0.41 0.00 0.05 0.00 0.00 38.32 38.81 1x4j h ASN 17 CO 0.08 0.29 -0.76 0.54 -1.65 0.00 0.00 177.43 175.93 1x4j s ASN 18 N -5.51 2.84 0.50 5.81 4.22 -1.21 -5.14 114.94 116.44 1x4j s ASN 18 Ca -0.13 -0.88 0.05 0.00 -2.14 0.00 0.00 52.86 49.76 1x4j s ASN 18 Cb 0.09 -0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.28 1x4j s ASN 18 CO 0.71 -0.37 0.27 -2.28 -2.04 0.00 0.00 177.10 173.38 1x4j s HIS 19 N 2.07 1.96 -0.12 1.54 2.46 -1.20 -4.57 115.29 117.42 1x4j s HIS 19 Ca 0.04 -0.79 -0.08 0.00 0.47 0.00 0.00 55.06 54.71 1x4j s HIS 19 Cb -0.16 -1.88 -0.03 0.00 -0.13 0.00 0.00 32.58 30.38 1x4j s HIS 19 CO -0.18 -0.17 -0.15 0.37 -2.47 0.00 0.00 174.74 172.15 1x4j h GLN 20 N 1.04 0.00 -6.86 2.88 5.75 -2.00 -3.49 115.11 112.43 1x4j h GLN 20 Ca -0.40 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 57.63 1x4j h GLN 20 Cb 1.29 0.00 0.05 0.00 1.07 0.00 0.00 27.48 29.90 1x4j h GLN 20 CO 0.63 0.00 -0.01 -1.54 -2.65 0.00 0.00 178.83 175.26 1x4j s SER 21 N -5.46 4.82 -0.01 -0.69 1.04 -1.26 -5.04 113.70 107.09 1x4j s SER 21 Ca -0.12 -0.52 0.11 0.00 0.48 0.00 0.00 55.95 55.90 1x4j s SER 21 Cb 0.02 -0.03 -0.17 0.00 0.10 0.00 0.00 66.02 65.94 1x4j s SER 21 CO 0.18 -1.51 0.29 -1.84 0.98 0.00 0.00 173.24 171.33 1x4j n GLU 22 N -2.49 0.89 -1.55 4.02 0.28 -1.26 -4.55 120.64 115.98 1x4j n GLU 22 Ca 0.14 -0.08 -0.23 0.00 -0.16 0.00 0.00 57.16 56.83 1x4j n GLU 22 Cb 0.61 -1.22 0.08 0.00 1.43 0.00 0.00 31.44 32.33 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 -1.78 2.94 -1.88 3.44 -0.00 -1.26 -4.99 117.38 113.85 1x4j n GLN 23 Ca -0.01 -3.69 -0.38 0.00 -0.00 0.00 0.00 57.00 52.92 1x4j n GLN 23 Cb 0.27 -2.18 -0.03 0.00 -0.00 0.00 0.00 30.24 28.30 1x4j n GLN 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1x4j s THR 24 N -4.36 3.24 0.04 -0.39 -1.32 -1.26 -4.92 115.64 106.66 1x4j s THR 24 Ca 0.54 0.15 -0.05 0.00 -1.21 0.00 0.00 61.69 61.12 1x4j s THR 24 Cb 0.44 -3.62 -0.01 0.00 -1.51 0.00 0.00 72.50 67.79 1x4j s THR 24 CO 0.02 -0.60 0.09 -0.22 -2.21 0.00 0.00 174.62 171.69 1x4j s LEU 25 N 9.99 1.85 -0.80 9.08 0.20 -1.26 -4.33 118.68 133.42 1x4j s LEU 25 Ca 0.78 -0.56 -0.21 0.00 0.69 0.00 0.00 54.13 54.82 1x4j s LEU 25 Cb -0.15 0.57 0.09 0.00 -0.43 0.00 0.00 46.19 46.27 1x4j s LEU 25 CO 0.23 -0.51 1.09 0.00 -0.29 0.00 0.00 176.35 176.87 1x4j h VAL 27 N 6.02 0.70 0.09 0.00 3.04 -1.85 1.07 116.25 125.31 1x4j h VAL 27 Ca -0.08 -0.12 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1x4j h VAL 27 Cb 1.05 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 1x4j h VAL 27 CO 1.19 0.07 -0.11 0.58 -1.01 0.00 0.00 177.57 178.29 1x4j h VAL 28 N 0.36 0.00 -0.82 1.51 2.07 -1.89 -3.07 116.25 114.41 1x4j h VAL 28 Ca 0.44 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.65 1x4j h VAL 28 Cb 1.13 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.72 1x4j h VAL 28 CO -0.14 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.83 1x4j n MET 30 N -0.47 -0.91 -4.57 0.00 0.00 0.36 -4.87 117.12 106.67 1x4j n MET 30 Ca 0.47 0.07 -0.26 0.00 0.00 0.00 0.00 57.70 57.97 1x4j n MET 30 Cb 1.48 -2.41 -0.14 0.00 0.00 0.00 0.00 33.22 32.15 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 -1.47 7.27 0.28 0.00 2.15 -1.26 0.06 116.67 123.70 1x4j s ASP 32 Ca 0.09 1.55 -0.30 0.00 0.43 0.00 0.00 52.55 54.32 1x4j s ASP 32 Cb -0.09 -2.55 -0.13 0.00 -0.30 0.00 0.00 42.92 39.84 1x4j s ASP 32 CO 0.03 -0.38 1.36 0.49 -0.17 0.00 0.00 175.17 176.50 1x4j n PHE 33 N 4.63 2.22 -0.26 -5.34 3.72 -1.26 -4.94 117.46 116.23 1x4j n PHE 33 Ca 0.07 0.47 -0.14 0.00 -0.05 0.00 0.00 57.45 57.81 1x4j n PHE 33 Cb 0.50 -2.44 0.13 0.00 -0.94 0.00 0.00 39.48 36.72 1x4j n PHE 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x4j n GLU 34 N 1.46 -3.02 0.03 -1.08 -0.58 -1.26 -4.96 120.64 111.22 1x4j n GLU 34 Ca 0.09 -0.71 0.08 0.00 -0.42 0.00 0.00 57.16 56.20 1x4j n GLU 34 Cb 0.33 -0.85 -0.10 0.00 -0.57 0.00 0.00 31.44 30.25 1x4j n GLU 34 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x4j n SER 35 N -4.21 0.39 -3.33 1.62 2.88 -1.26 -4.61 113.62 105.10 1x4j n SER 35 Ca 0.07 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.51 1x4j n SER 35 Cb 0.28 1.16 -0.08 0.00 -0.75 0.00 0.00 64.21 64.82 1x4j n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x4j n ARG 36 N -2.52 0.99 -3.70 -1.46 5.12 -1.26 -4.34 116.66 109.49 1x4j n ARG 36 Ca -0.06 -3.56 -0.14 0.00 -1.93 0.00 0.00 57.85 52.16 1x4j n ARG 36 Cb 0.65 -1.58 -0.09 0.00 -1.16 0.00 0.00 32.46 30.28 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 -1.15 0.62 -0.03 5.56 -0.21 -1.26 -5.00 119.66 118.18 1x4j s GLN 37 Ca 0.35 0.56 -0.30 0.00 0.02 0.00 0.00 55.36 55.98 1x4j s GLN 37 Cb 0.12 0.30 -0.05 0.00 1.00 0.00 0.00 33.01 34.38 1x4j s GLN 37 CO -0.12 -0.10 1.46 -1.17 -2.12 0.00 0.00 175.29 173.24 1x4j s LEU 38 N -0.01 4.30 0.04 2.90 1.98 -1.26 -3.13 118.68 123.50 1x4j s LEU 38 Ca -0.02 2.11 0.08 0.00 -2.89 0.00 0.00 54.13 53.41 1x4j s LEU 38 Cb -0.03 -3.55 -0.03 0.00 0.66 0.00 0.00 46.19 43.24 1x4j s LEU 38 CO 0.02 -0.79 -0.23 -0.76 -1.89 0.00 0.00 176.35 172.70 1x4j s LEU 39 N 2.95 2.16 -0.24 -0.68 1.43 -1.16 -3.27 118.68 119.88 1x4j s LEU 39 Ca 0.66 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1x4j s LEU 39 Cb -0.31 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1x4j s LEU 39 CO 0.26 0.21 0.07 -0.13 0.23 0.00 0.00 176.35 176.99 1x4j s ARG 40 N -1.18 3.73 -0.28 1.70 0.52 -0.51 -4.24 118.95 118.67 1x4j s ARG 40 Ca 0.09 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.69 1x4j s ARG 40 Cb -0.09 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 1x4j s ARG 40 CO 0.02 -0.09 0.46 0.08 0.02 0.00 0.00 175.30 175.79 1x4j s VAL 41 N 1.36 5.10 0.85 3.52 1.01 -1.26 -1.63 120.40 129.35 1x4j s VAL 41 Ca 0.05 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 1x4j s VAL 41 Cb -0.15 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.53 1x4j s VAL 41 CO 0.04 0.05 1.16 -0.76 0.00 0.00 0.00 175.10 175.59 1x4j s LEU 42 N 2.24 2.99 0.00 3.92 1.43 0.24 -4.81 118.68 124.69 1x4j s LEU 42 Ca 0.18 2.22 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 1x4j s LEU 42 Cb -0.16 -4.57 0.30 0.00 0.03 0.00 0.00 46.19 41.80 1x4j s LEU 42 CO 0.10 -2.81 0.77 -0.81 0.23 0.00 0.00 176.35 173.83 1x4j n PRO 43 N -3.77 0.49 -0.43 1.29 -0.04 -1.26 -2.24 135.00 129.03 1x4j n PRO 43 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1x4j n PRO 43 Cb 0.52 -1.16 0.23 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.75 -2.66 -3.88 0.00 3.02 -0.95 -5.04 115.26 105.00 1x4j n ASN 45 Ca 0.22 -0.47 -0.15 0.00 -0.03 0.00 0.00 54.58 54.15 1x4j n ASN 45 Cb 0.87 -3.94 -0.15 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.27 0.25 0.11 3.10 3.76 -1.24 -4.98 115.29 113.03 1x4j s HIS 46 Ca 0.06 -0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.84 1x4j s HIS 46 Cb -0.01 -0.24 -0.06 0.00 1.11 0.00 0.00 32.58 33.38 1x4j s HIS 46 CO 0.54 -0.05 0.46 -1.21 -0.85 0.00 0.00 174.74 173.63 1x4j s GLU 47 N 0.34 3.84 0.22 1.40 2.02 -1.26 0.82 118.70 126.08 1x4j s GLU 47 Ca -0.03 0.29 -0.12 0.00 0.02 0.00 0.00 54.97 55.12 1x4j s GLU 47 Cb -0.06 -2.95 -0.00 0.00 0.10 0.00 0.00 34.13 31.22 1x4j s GLU 47 CO -0.01 0.51 0.44 -0.06 0.02 0.00 0.00 175.26 176.17 1x4j s PHE 48 N -1.45 0.32 -0.27 1.61 0.08 -0.64 -4.59 117.98 113.03 1x4j s PHE 48 Ca 0.36 -0.67 -0.26 0.00 0.12 0.00 0.00 56.93 56.48 1x4j s PHE 48 Cb -0.14 0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 1x4j s PHE 48 CO 0.19 -0.92 0.89 -1.01 -0.10 0.00 0.00 175.22 174.27 1x4j s HIS 49 N -3.99 3.26 0.39 0.36 3.76 -1.26 -1.43 115.29 116.38 1x4j s HIS 49 Ca 0.20 1.12 0.29 0.00 -0.15 0.00 0.00 55.06 56.51 1x4j s HIS 49 Cb 0.00 -3.24 1.32 0.00 1.11 0.00 0.00 32.58 31.78 1x4j s HIS 49 CO 0.06 -0.52 1.39 0.00 -0.85 0.00 0.00 174.74 174.81 1x4j n ALA 50 N 6.25 1.21 -0.06 -1.40 0.00 -1.20 -0.11 120.51 125.19 1x4j n ALA 50 Ca 0.07 0.77 -0.07 0.00 0.00 0.00 0.00 53.44 54.22 1x4j n ALA 50 Cb 0.47 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 0.00 0.00 2.10 -1.91 -3.22 116.57 113.54 1x4j h LYS 51 Ca 0.78 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.43 1x4j h LYS 51 Cb 2.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.84 1x4j h LYS 51 CO -0.42 0.44 0.00 0.00 -2.00 0.00 0.00 179.45 177.47 1x4j n VAL 53 N -2.30 -0.40 -0.27 0.00 3.14 0.13 0.16 118.33 118.79 1x4j n VAL 53 Ca 0.00 2.02 0.01 0.00 -2.96 0.00 0.00 64.34 63.42 1x4j n VAL 53 Cb 0.00 -3.09 0.14 0.00 -1.06 0.00 0.00 33.84 29.84 1x4j n VAL 53 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1x4j h ASP 54 N 0.00 0.63 -0.24 6.55 5.19 -1.45 0.22 116.42 127.33 1x4j h ASP 54 Ca 0.67 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.93 1x4j h ASP 54 Cb 1.58 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 41.02 1x4j h ASP 54 CO -0.83 0.37 -0.59 0.50 -3.12 0.00 0.00 179.24 175.58 1x4j h LYS 55 N 0.76 0.85 -0.68 3.56 3.64 0.22 -2.89 116.57 122.01 1x4j h LYS 55 Ca 0.36 -0.56 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 1x4j h LYS 55 Cb 0.30 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1x4j h LYS 55 CO -0.23 1.19 0.18 2.35 -2.27 0.00 0.00 179.45 180.67 1x4j h TRP 56 N 0.64 1.14 0.00 1.91 2.91 -0.38 -2.39 115.95 119.77 1x4j h TRP 56 Ca 0.00 -0.13 -0.04 0.00 1.13 0.00 0.00 58.89 59.85 1x4j h TRP 56 Cb 1.20 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.52 1x4j h TRP 56 CO 0.07 0.93 -0.20 -0.07 -1.03 0.00 0.00 178.44 178.13 1x4j h LEU 57 N 1.02 0.00 -0.30 0.65 3.38 -0.58 0.30 115.31 119.78 1x4j h LEU 57 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1x4j h LEU 57 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1x4j h LEU 57 CO -0.00 0.20 -0.00 0.11 0.09 0.00 0.00 178.44 178.84 1x4j h LYS 58 N 0.00 0.54 0.07 1.13 1.57 -1.21 -3.29 116.57 115.37 1x4j h LYS 58 Ca -0.00 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 1x4j h LYS 58 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1x4j h LYS 58 CO 0.03 0.68 -0.64 0.00 -0.57 0.00 0.00 179.45 178.95 1x4j h ALA 59 N 0.84 0.03 -3.20 3.86 0.00 -1.36 -3.45 119.26 115.97 1x4j h ALA 59 Ca 0.09 -0.74 -0.52 0.00 0.00 0.00 0.00 54.91 53.73 1x4j h ALA 59 Cb 0.44 0.19 -0.37 0.00 0.00 0.00 0.00 17.79 18.06 1x4j h ALA 59 CO 0.02 0.33 -0.80 -0.80 0.00 0.00 0.00 179.25 178.00 1x4j s ASN 60 N -6.67 2.12 -0.02 0.00 0.01 0.10 -5.02 114.94 105.46 1x4j s ASN 60 Ca -0.18 -0.30 -0.06 0.00 -0.71 0.00 0.00 52.86 51.61 1x4j s ASN 60 Cb 0.00 -0.83 -0.24 0.00 0.41 0.00 0.00 41.25 40.59 1x4j s ASN 60 CO 0.74 -0.11 3.52 -2.11 -1.51 0.00 0.00 177.10 177.63 1x4j n ARG 61 N 4.84 1.97 -4.14 -0.60 1.85 -1.24 -3.51 116.66 115.82 1x4j n ARG 61 Ca -0.13 -1.00 -0.16 0.00 -1.00 0.00 0.00 57.85 55.56 1x4j n ARG 61 Cb 0.50 -1.96 -0.06 0.00 -1.05 0.00 0.00 32.46 29.90 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 0.83 0.00 -0.16 8.89 -4.23 -1.26 -2.82 115.64 116.90 1x4j s THR 62 Ca 0.63 -1.72 -0.21 0.00 -1.18 0.00 0.00 61.69 59.21 1x4j s THR 62 Cb 0.31 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1x4j s THR 62 CO -0.01 0.00 0.63 0.00 -0.54 0.00 0.00 174.62 174.70 1x4j n PRO 64 N 4.56 0.49 0.01 0.00 -0.04 -1.26 -0.28 135.00 138.48 1x4j n PRO 64 Ca -0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1x4j n PRO 64 Cb 0.50 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.52 0.45 -1.03 0.52 5.41 -1.26 -4.81 119.36 118.11 1x4j n ILE 65 Ca 0.01 0.17 0.01 0.00 1.00 0.00 0.00 62.75 63.94 1x4j n ILE 65 Cb 0.00 -1.28 0.31 0.00 -0.71 0.00 0.00 39.64 37.97 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 -0.13 -2.14 -2.60 0.00 1.74 0.61 -4.80 116.66 109.34 1x4j n ARG 67 Ca 0.32 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.97 1x4j n ARG 67 Cb 1.20 -3.98 -0.02 0.00 -1.02 0.00 0.00 32.46 28.64 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 -1.51 3.47 -0.10 7.54 0.00 -1.25 -4.49 121.76 125.41 1x4j s ALA 68 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 51.96 51.51 1x4j s ALA 68 Cb 0.00 -3.70 -0.18 0.00 0.00 0.00 0.00 23.12 19.24 1x4j s ALA 68 CO 0.00 -1.56 1.36 -3.47 0.00 0.00 0.00 175.76 172.09 1x4j n ASP 69 N 7.01 1.11 -1.95 0.00 -0.08 -1.26 -2.07 116.55 119.32 1x4j n ASP 69 Ca 0.12 1.14 -0.14 0.00 -1.51 0.00 0.00 54.79 54.40 1x4j n ASP 69 Cb 0.47 -1.03 -0.04 0.00 2.34 0.00 0.00 41.12 42.86 1x4j n ASP 69 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1x4j n SER 70 N 2.88 5.93 -2.81 1.67 2.88 -1.13 -4.87 113.62 118.17 1x4j n SER 70 Ca 0.22 -2.81 -0.21 0.00 -1.33 0.00 0.00 58.87 54.75 1x4j n SER 70 Cb 0.10 -1.19 -0.11 0.00 -0.75 0.00 0.00 64.21 62.25 1x4j n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4j n GLY 71 N 1.22 -0.31 3.70 0.46 0.00 -1.26 -4.83 105.19 104.16 1x4j n GLY 71 Ca 0.30 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.46 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 5.14 0.84 0.17 1.61 0.04 -1.26 -4.95 135.00 136.58 1x4j s PRO 72 Ca 0.84 0.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 1x4j s PRO 72 Cb -0.69 -1.77 0.10 0.00 0.04 0.00 0.00 34.50 32.18 1x4j s PRO 72 CO 0.33 -2.49 1.74 0.66 0.04 0.00 0.00 177.00 177.28 1x4j h SER 73 N -1.72 0.11 -2.91 6.66 4.64 -1.88 -3.34 113.55 115.10 1x4j h SER 73 Ca -0.52 0.05 -0.70 0.00 -0.47 0.00 0.00 61.79 60.15 1x4j h SER 73 Cb 1.31 0.05 -0.20 0.00 -0.31 0.00 0.00 62.40 63.25 1x4j h SER 73 CO 0.56 0.09 0.13 -0.44 -0.87 0.00 0.00 176.83 176.31 1x4j s SER 74 N -5.35 6.20 0.00 4.97 0.01 -1.26 -5.11 113.70 113.16 1x4j s SER 74 Ca -0.13 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.66 1x4j s SER 74 Cb 0.13 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1x4j s SER 74 CO 0.72 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.87