#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4j h PHE 17 N 0.00 0.00 -0.97 -5.13 0.04 -2.00 -3.38 116.94 105.51 2x4j h PHE 17 Ca 0.00 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.92 2x4j h PHE 17 Cb 0.00 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 37.99 2x4j h PHE 17 CO 0.00 0.00 -0.37 1.15 -0.60 0.00 0.00 178.31 178.49 2x4j h THR 18 N 0.00 0.02 -0.83 -1.55 2.02 -1.98 -1.45 112.91 109.13 2x4j h THR 18 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 2x4j h THR 18 Cb 0.86 0.02 -0.33 0.00 -1.74 0.00 0.00 68.15 66.96 2x4j h THR 18 CO 0.00 0.00 0.08 -0.46 0.37 0.00 0.00 175.52 175.51 2x4j n ASN 19 N -5.48 5.86 -0.31 4.18 6.94 -1.26 -4.48 115.26 120.71 2x4j n ASN 19 Ca 0.10 -3.77 0.03 0.00 -0.02 0.00 0.00 54.58 50.92 2x4j n ASN 19 Cb 0.41 -0.68 0.08 0.00 -2.36 0.00 0.00 39.78 37.22 2x4j n ASN 19 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2x4j n LYS 20 N -0.87 2.90 -1.73 -3.83 4.76 -0.55 -4.99 118.16 113.85 2x4j n LYS 20 Ca 0.52 -1.81 -0.42 0.00 -2.87 0.00 0.00 58.31 53.73 2x4j n LYS 20 Cb 0.87 -1.15 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 2x4j n LYS 20 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2x4j s ILE 21 N -1.10 2.43 0.00 -0.18 1.01 -1.26 -0.87 121.20 121.24 2x4j s ILE 21 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2x4j s ILE 21 Cb 0.07 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2x4j s ILE 21 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2x4j n GLY 22 N 4.16 1.44 3.77 6.18 0.00 0.06 -5.02 105.19 115.79 2x4j n GLY 22 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2x4j n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4j s ASN 24 N -1.13 6.46 -0.05 0.00 0.02 0.27 -0.88 114.94 119.64 2x4j s ASN 24 Ca 0.60 2.17 -0.08 0.00 -1.02 0.00 0.00 52.86 54.53 2x4j s ASN 24 Cb -0.32 -2.59 0.01 0.00 0.02 0.00 0.00 41.25 38.37 2x4j s ASN 24 CO 0.40 -0.70 0.19 0.54 0.02 0.00 0.00 177.10 177.55 2x4j s VAL 25 N -1.61 0.03 0.05 1.60 0.11 0.18 -1.55 120.40 119.20 2x4j s VAL 25 Ca 0.61 -0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 59.37 2x4j s VAL 25 Cb -0.25 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2x4j s VAL 25 CO 0.31 -0.13 0.10 -0.94 -3.33 0.00 0.00 175.10 171.11 2x4j s SER 26 N -0.42 0.20 -0.23 3.54 1.04 -0.18 -0.45 113.70 117.18 2x4j s SER 26 Ca -0.05 -0.59 -0.21 0.00 0.48 0.00 0.00 55.95 55.58 2x4j s SER 26 Cb -0.03 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2x4j s SER 26 CO 0.01 -0.55 0.66 -0.55 0.98 0.00 0.00 173.24 173.79 2x4j s SER 27 N -2.30 6.65 0.00 7.02 0.15 -0.53 -0.41 113.70 124.28 2x4j s SER 27 Ca -0.02 0.80 0.24 0.00 0.70 0.00 0.00 55.95 57.66 2x4j s SER 27 Cb 0.01 -2.36 1.41 0.00 -1.71 0.00 0.00 66.02 63.37 2x4j s SER 27 CO -0.06 -0.36 1.87 -0.81 1.20 0.00 0.00 173.24 175.08 2x4j n PRO 28 N 5.55 0.94 -2.50 5.44 -0.04 -1.26 -4.71 135.00 138.42 2x4j n PRO 28 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2x4j n PRO 28 Cb 0.49 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2x4j n PRO 28 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2x4j s LEU 29 N -1.79 4.32 0.32 1.53 1.02 -1.26 -4.94 118.68 117.87 2x4j s LEU 29 Ca 0.35 1.84 0.03 0.00 0.02 0.00 0.00 54.13 56.37 2x4j s LEU 29 Cb 0.16 -3.57 0.61 0.00 0.02 0.00 0.00 46.19 43.42 2x4j s LEU 29 CO 0.27 -0.49 1.89 0.11 0.02 0.00 0.00 176.35 178.15 2x4j h LYS 30 N 7.14 0.90 -0.00 1.70 1.79 -2.00 -2.12 116.57 123.98 2x4j h LYS 30 Ca -0.37 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2x4j h LYS 30 Cb 1.18 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2x4j h LYS 30 CO 0.84 0.60 -0.05 -2.39 -1.08 0.00 0.00 179.45 177.36 2x4j n HIS 31 N -4.53 0.00 -3.55 -1.35 1.44 -1.26 -4.60 115.22 101.37 2x4j n HIS 31 Ca 0.15 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.45 2x4j n HIS 31 Cb 0.28 -0.10 -0.08 0.00 0.12 0.00 0.00 29.99 30.22 2x4j n HIS 31 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2x4j s VAL 32 N -2.24 4.28 -1.20 0.61 1.01 -0.80 -5.00 120.40 117.06 2x4j s VAL 32 Ca 0.36 -2.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.18 2x4j s VAL 32 Cb 0.21 -3.80 0.19 0.00 0.00 0.00 0.00 36.38 32.99 2x4j s VAL 32 CO 0.42 -0.82 1.39 -0.90 0.00 0.00 0.00 175.10 175.19 2x4j n ASP 33 N 4.60 5.29 -3.93 3.32 5.75 -1.26 -4.59 116.55 125.72 2x4j n ASP 33 Ca -0.03 -3.00 -0.26 0.00 -0.01 0.00 0.00 54.79 51.49 2x4j n ASP 33 Cb 0.41 -1.53 -0.17 0.00 -1.03 0.00 0.00 41.12 38.80 2x4j n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2x4j s ILE 34 N 0.92 1.04 -0.10 2.12 1.01 -1.26 -5.06 121.20 119.87 2x4j s ILE 34 Ca 0.40 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 2x4j s ILE 34 Cb -0.04 -1.03 0.05 0.00 0.01 0.00 0.00 42.46 41.45 2x4j s ILE 34 CO -0.01 0.36 0.17 -0.69 0.00 0.00 0.00 174.94 174.77 2x4j s VAL 35 N 1.46 -0.28 0.00 2.92 1.01 -1.26 -1.45 120.40 122.80 2x4j s VAL 35 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2x4j s VAL 35 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2x4j s VAL 35 CO -0.05 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2x4j n GLY 36 N 5.33 2.53 3.16 4.51 0.00 0.40 -4.57 105.19 116.55 2x4j n GLY 36 Ca -0.05 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 2x4j n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x4j s GLU 37 N 1.45 1.14 -0.17 1.61 2.12 -0.21 -0.65 118.70 123.99 2x4j s GLU 37 Ca 0.00 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 2x4j s GLU 37 Cb 0.00 -1.16 -0.00 0.00 0.26 0.00 0.00 34.13 33.23 2x4j s GLU 37 CO 0.00 0.30 1.11 0.42 -0.54 0.00 0.00 175.26 176.55 2x4j s ILE 38 N -0.66 4.56 -0.20 -3.70 1.01 -0.06 -0.80 121.20 121.34 2x4j s ILE 38 Ca 0.04 1.87 0.08 0.00 0.00 0.00 0.00 60.65 62.64 2x4j s ILE 38 Cb -0.07 -4.20 -0.18 0.00 0.01 0.00 0.00 42.46 38.01 2x4j s ILE 38 CO 0.01 -0.11 -0.07 1.33 0.00 0.00 0.00 174.94 176.09 2x4j n VAL 39 N 5.10 1.24 -3.77 2.92 0.24 0.19 -0.76 118.33 123.49 2x4j n VAL 39 Ca 0.12 -0.61 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 2x4j n VAL 39 Cb 0.46 -0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 31.84 2x4j n VAL 39 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2x4j s GLU 40 N -2.44 0.88 -0.01 7.34 2.02 -1.23 -4.84 118.70 120.42 2x4j s GLU 40 Ca -0.20 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 2x4j s GLU 40 Cb 0.07 0.37 -0.00 0.00 0.10 0.00 0.00 34.13 34.67 2x4j s GLU 40 CO 0.61 -0.30 0.04 -2.00 0.02 0.00 0.00 175.26 173.63 2x4j s GLU 41 N -3.33 0.14 0.32 1.61 -6.30 -1.26 -0.71 118.70 109.18 2x4j s GLU 41 Ca 0.01 -0.11 0.04 0.00 -2.50 0.00 0.00 54.97 52.40 2x4j s GLU 41 Cb 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 34.13 34.14 2x4j s GLU 41 CO -0.08 -0.02 0.06 0.00 0.02 0.00 0.00 175.26 175.23 2x4j s ALA 42 N -0.39 2.35 0.18 6.30 0.00 0.10 -4.98 121.76 125.32 2x4j s ALA 42 Ca -0.04 -2.06 -0.13 0.00 0.00 0.00 0.00 51.96 49.73 2x4j s ALA 42 Cb -0.03 0.65 0.17 0.00 0.00 0.00 0.00 23.12 23.92 2x4j s ALA 42 CO -0.00 -0.30 1.73 0.28 0.00 0.00 0.00 175.76 177.46 2x4j h VAL 43 N 2.12 0.77 0.00 0.00 2.07 0.11 -3.27 116.25 118.05 2x4j h VAL 43 Ca -0.41 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2x4j h VAL 43 Cb 1.24 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2x4j h VAL 43 CO 0.70 0.05 -1.07 -1.22 0.02 0.00 0.00 177.57 176.05 2x4j n TYR 44 N -5.07 0.01 -3.79 1.57 4.01 -0.75 -4.96 117.16 108.18 2x4j n TYR 44 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.75 2x4j n TYR 44 Cb 0.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 2x4j n TYR 44 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x4j s ASN 45 N -3.19 -0.14 0.07 7.72 2.20 -1.23 -2.18 114.94 118.18 2x4j s ASN 45 Ca 0.06 -0.51 -0.04 0.00 -0.94 0.00 0.00 52.86 51.44 2x4j s ASN 45 Cb 0.16 0.53 -0.03 0.00 -2.00 0.00 0.00 41.25 39.91 2x4j s ASN 45 CO 0.86 -0.99 0.05 0.72 -2.94 0.00 0.00 177.10 174.79 2x4j s PHE 46 N -3.09 0.42 -0.17 1.54 -0.12 -0.32 -0.72 117.98 115.51 2x4j s PHE 46 Ca 0.14 -0.92 -0.06 0.00 -0.05 0.00 0.00 56.93 56.04 2x4j s PHE 46 Cb -0.02 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.05 2x4j s PHE 46 CO 0.04 -0.44 0.03 -1.17 -0.05 0.00 0.00 175.22 173.62 2x4j s LEU 47 N -2.91 3.61 -0.16 -1.99 2.96 0.12 -0.65 118.68 119.65 2x4j s LEU 47 Ca 0.07 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2x4j s LEU 47 Cb 0.07 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2x4j s LEU 47 CO -0.10 0.17 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.40 2x4j s ILE 48 N 0.37 3.42 -0.39 6.68 1.01 0.92 -0.64 121.20 132.58 2x4j s ILE 48 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 2x4j s ILE 48 Cb -0.13 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2x4j s ILE 48 CO 0.01 0.49 0.49 -0.62 0.00 0.00 0.00 174.94 175.31 2x4j s ASP 49 N 0.63 6.26 -0.25 3.58 -1.08 0.02 -0.94 116.67 124.89 2x4j s ASP 49 Ca -0.05 -0.32 0.13 0.00 -0.52 0.00 0.00 52.55 51.79 2x4j s ASP 49 Cb -0.15 -2.25 0.61 0.00 -1.46 0.00 0.00 42.92 39.67 2x4j s ASP 49 CO 0.03 -0.54 1.57 0.00 0.52 0.00 0.00 175.17 176.74 2x4j n ALA 50 N 5.73 3.77 0.00 3.66 0.00 0.32 -1.05 120.51 132.95 2x4j n ALA 50 Ca -0.06 -2.45 0.00 0.00 0.00 0.00 0.00 53.44 50.93 2x4j n ALA 50 Cb 0.48 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2x4j n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x4j n GLY 51 N -0.44 2.15 0.79 0.00 0.00 -1.26 -3.98 105.19 102.45 2x4j n GLY 51 Ca 0.30 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2x4j n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x4j n ASP 52 N 4.35 2.42 -3.64 1.61 5.75 -1.26 -4.90 116.55 120.89 2x4j n ASP 52 Ca 0.00 -1.80 -0.12 0.00 -0.01 0.00 0.00 54.79 52.86 2x4j n ASP 52 Cb 0.00 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 39.99 2x4j n ASP 52 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2x4j s LYS 53 N -1.91 1.01 0.24 0.11 -2.85 -1.26 -1.50 119.74 113.59 2x4j s LYS 53 Ca 0.33 -0.54 0.10 0.00 -1.00 0.00 0.00 55.97 54.85 2x4j s LYS 53 Cb 0.20 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.38 2x4j s LYS 53 CO 0.31 -0.38 -0.06 -1.64 0.10 0.00 0.00 175.35 173.68 2x4j s MET 54 N -3.22 2.15 0.00 1.78 -1.94 -0.21 -0.52 119.30 117.34 2x4j s MET 54 Ca -0.01 -1.41 -0.01 0.00 -1.71 0.00 0.00 55.69 52.55 2x4j s MET 54 Cb 0.01 -2.11 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 2x4j s MET 54 CO -0.08 0.38 0.01 0.00 -0.01 0.00 0.00 175.02 175.33 2x4j s VAL 56 N -0.64 5.10 -0.14 0.00 1.01 -0.04 -0.06 120.40 125.62 2x4j s VAL 56 Ca -0.07 0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 2x4j s VAL 56 Cb -0.04 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2x4j s VAL 56 CO -0.00 -0.05 0.23 -0.83 0.00 0.00 0.00 175.10 174.45 2x4j s GLY 57 N 1.69 2.19 0.19 4.51 0.00 0.17 -1.09 107.32 114.99 2x4j s GLY 57 Ca 0.17 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 2x4j s GLY 57 CO 0.11 0.14 1.08 0.21 0.00 0.00 0.00 173.10 174.65 2x4j s ASN 58 N -0.08 7.30 0.60 1.64 3.84 -0.01 -1.17 114.94 127.06 2x4j s ASN 58 Ca 0.15 2.09 0.35 0.00 0.21 0.00 0.00 52.86 55.66 2x4j s ASN 58 Cb -0.13 -2.61 1.93 0.00 -0.55 0.00 0.00 41.25 39.90 2x4j s ASN 58 CO 0.04 -0.18 2.24 0.11 -2.79 0.00 0.00 177.10 176.52 2x4j h LYS 59 N 4.88 0.00 -5.59 0.43 1.79 -1.78 -3.31 116.57 112.99 2x4j h LYS 59 Ca -0.45 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.39 2x4j h LYS 59 Cb 1.21 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.73 2x4j h LYS 59 CO 0.71 0.02 0.97 0.42 -1.08 0.00 0.00 179.45 180.50 2x4j s ILE 60 N -4.32 4.28 -0.03 1.86 1.01 -1.26 -4.87 121.20 117.87 2x4j s ILE 60 Ca -0.04 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 2x4j s ILE 60 Cb 0.14 -4.85 0.12 0.00 0.01 0.00 0.00 42.46 37.87 2x4j s ILE 60 CO 0.51 -1.66 1.32 -0.83 0.00 0.00 0.00 174.94 174.28 2x4j s GLY 61 N 4.03 -0.33 -0.24 6.18 0.00 -1.25 -4.71 107.32 111.00 2x4j s GLY 61 Ca 0.34 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.54 2x4j s GLY 61 CO -0.02 2.12 -0.04 0.14 0.00 0.00 0.00 173.10 175.30 2x4j s VAL 62 N -2.21 3.16 0.01 1.40 1.01 -1.26 -5.12 120.40 117.38 2x4j s VAL 62 Ca 0.20 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2x4j s VAL 62 Cb 0.04 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2x4j s VAL 62 CO -0.03 0.26 -0.08 0.26 0.00 0.00 0.00 175.10 175.51 2x4j s TRP 63 N 1.40 0.73 -0.17 5.22 0.52 -1.26 -4.49 118.94 120.88 2x4j s TRP 63 Ca 0.02 -0.20 -0.06 0.00 0.02 0.00 0.00 56.10 55.88 2x4j s TRP 63 Cb -0.16 -0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 31.67 2x4j s TRP 63 CO -0.03 -0.02 0.04 0.21 0.02 0.00 0.00 176.95 177.17 2x4j s LYS 64 N -0.46 3.87 -0.04 4.98 2.20 0.45 -4.96 119.74 125.78 2x4j s LYS 64 Ca 0.01 -0.38 0.07 0.00 -0.36 0.00 0.00 55.97 55.31 2x4j s LYS 64 Cb -0.04 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2x4j s LYS 64 CO -0.00 0.29 -0.25 0.14 -0.36 0.00 0.00 175.35 175.17 2x4j s VAL 65 N 0.29 2.10 0.00 4.02 -7.23 -1.26 -1.02 120.40 117.30 2x4j s VAL 65 Ca 0.02 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2x4j s VAL 65 Cb -0.13 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2x4j s VAL 65 CO 0.01 0.58 0.39 -1.54 -0.31 0.00 0.00 175.10 174.23 2x4j n SER 66 N 2.68 0.00 -0.09 4.85 3.41 -0.60 -5.02 113.62 118.85 2x4j n SER 66 Ca -0.17 -1.00 0.03 0.00 -0.26 0.00 0.00 58.87 57.47 2x4j n SER 66 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 2x4j n SER 66 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2x4j n ARG 79 N 0.00 3.17 -0.06 4.33 1.85 -1.26 -0.56 116.66 124.13 2x4j n ARG 79 Ca 0.00 -0.33 -0.15 0.00 -1.00 0.00 0.00 57.85 56.37 2x4j n ARG 79 Cb 0.49 -0.89 -0.06 0.00 -1.05 0.00 0.00 32.46 30.95 2x4j n ARG 79 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2x4j h LYS 80 N 0.45 0.72 -3.22 2.89 1.57 -1.94 0.96 116.57 118.00 2x4j h LYS 80 Ca 0.00 -0.50 -0.12 0.00 -1.87 0.00 0.00 60.65 58.16 2x4j h LYS 80 Cb 0.17 0.08 -0.20 0.00 0.08 0.00 0.00 32.23 32.36 2x4j h LYS 80 CO 0.00 1.12 -0.33 0.45 -0.57 0.00 0.00 179.45 180.12 2x4j s SER 81 N -6.82 -0.11 -0.04 0.86 0.15 -1.26 -1.80 113.70 104.68 2x4j s SER 81 Ca -0.12 -0.05 0.17 0.00 0.70 0.00 0.00 55.95 56.65 2x4j s SER 81 Cb 0.08 0.29 0.51 0.00 -1.71 0.00 0.00 66.02 65.19 2x4j s SER 81 CO 0.86 -0.46 1.43 0.18 1.20 0.00 0.00 173.24 176.46 2x4j n LEU 82 N 1.19 3.69 0.24 3.45 4.77 -1.26 -4.61 117.00 124.47 2x4j n LEU 82 Ca -0.21 -2.17 0.16 0.00 -0.03 0.00 0.00 56.01 53.76 2x4j n LEU 82 Cb 0.56 -0.41 0.74 0.00 -2.33 0.00 0.00 43.42 41.99 2x4j n LEU 82 CO 0.22 0.83 0.98 1.88 -1.33 0.00 0.00 177.39 179.96 2x4j h TYR 83 N 3.14 0.00 0.00 -1.77 0.05 -1.98 -1.93 116.97 114.48 2x4j h TYR 83 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x4j h TYR 83 Cb 1.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2x4j h TYR 83 CO 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.55 2x4j n ALA 84 N -1.96 1.09 0.42 3.88 0.00 -1.26 -1.42 120.51 121.25 2x4j n ALA 84 Ca -0.00 0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.74 2x4j n ALA 84 Cb 0.20 -1.29 0.38 0.00 0.00 0.00 0.00 19.45 18.74 2x4j n ALA 84 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2x4j h LYS 85 N 0.00 0.00 -6.18 0.00 1.79 -1.72 -3.45 116.57 107.00 2x4j h LYS 85 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2x4j h LYS 85 Cb 0.03 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 2x4j h LYS 85 CO 0.00 0.00 0.22 0.08 -1.08 0.00 0.00 179.45 178.67 2x4j s VAL 86 N -3.25 4.97 0.05 0.50 1.01 -0.51 -4.99 120.40 118.19 2x4j s VAL 86 Ca 0.07 1.70 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 2x4j s VAL 86 Cb 0.09 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2x4j s VAL 86 CO 0.58 0.20 1.35 -2.84 0.00 0.00 0.00 175.10 174.39 2x4j s PRO 87 N 0.95 4.33 0.23 2.72 0.02 -1.26 -4.99 135.00 137.00 2x4j s PRO 87 Ca 0.43 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 2x4j s PRO 87 Cb -0.19 -3.40 -0.09 0.00 0.02 0.00 0.00 34.50 30.84 2x4j s PRO 87 CO 0.22 -0.45 1.15 0.15 -0.33 0.00 0.00 177.00 177.73 2x4j s LYS 88 N 1.63 4.56 0.00 5.54 1.02 -1.26 -3.16 119.74 128.07 2x4j s LYS 88 Ca 0.63 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.46 2x4j s LYS 88 Cb -0.33 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2x4j s LYS 88 CO 0.28 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 2x4j n GLY 89 N 1.65 1.07 3.87 -3.33 0.00 -0.27 -5.00 105.19 103.17 2x4j n GLY 89 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2x4j n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2x4j s ILE 90 N -2.27 4.74 -0.18 -0.61 2.07 -1.19 -4.63 121.20 119.14 2x4j s ILE 90 Ca 0.00 0.72 -0.29 0.00 -1.41 0.00 0.00 60.65 59.67 2x4j s ILE 90 Cb 0.00 -3.75 -0.00 0.00 0.13 0.00 0.00 42.46 38.84 2x4j s ILE 90 CO 0.00 -0.61 1.12 -0.83 -1.91 0.00 0.00 174.94 172.71 2x4j s GLY 91 N -3.26 1.81 0.35 1.50 0.00 -1.26 -0.42 107.32 106.04 2x4j s GLY 91 Ca 0.53 0.33 0.09 0.00 0.00 0.00 0.00 44.72 45.67 2x4j s GLY 91 CO 0.33 2.25 -0.04 -1.34 0.00 0.00 0.00 173.10 174.31 2x4j s VAL 92 N 3.04 2.37 -0.17 1.40 -7.23 0.10 -4.48 120.40 115.42 2x4j s VAL 92 Ca 0.49 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2x4j s VAL 92 Cb -0.18 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.04 2x4j s VAL 92 CO 0.12 -0.18 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.71 2x4j s THR 93 N -2.58 1.67 -0.33 5.32 2.01 -0.32 -2.24 115.64 119.17 2x4j s THR 93 Ca 0.34 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 2x4j s THR 93 Cb 0.02 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 2x4j s THR 93 CO 0.18 0.35 0.25 -0.69 -0.69 0.00 0.00 174.62 174.02 2x4j s VAL 94 N 1.42 5.27 -0.08 3.82 1.01 0.99 -0.57 120.40 132.25 2x4j s VAL 94 Ca 0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 2x4j s VAL 94 Cb -0.14 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2x4j s VAL 94 CO -0.10 0.03 0.35 -0.31 0.00 0.00 0.00 175.10 175.07 2x4j s TYR 95 N 1.77 3.59 0.45 5.22 2.02 0.91 -0.50 117.35 130.82 2x4j s TYR 95 Ca 0.07 0.79 0.06 0.00 -0.37 0.00 0.00 57.07 57.63 2x4j s TYR 95 Cb -0.17 -2.30 -0.02 0.00 -0.40 0.00 0.00 41.96 39.07 2x4j s TYR 95 CO 0.11 0.46 0.25 -0.51 -1.57 0.00 0.00 175.55 174.28 2x4j s LEU 96 N -0.32 3.01 0.48 -1.29 1.43 -0.27 -0.84 118.68 120.87 2x4j s LEU 96 Ca 0.21 -1.11 0.15 0.00 -1.03 0.00 0.00 54.13 52.34 2x4j s LEU 96 Cb -0.15 -1.43 1.13 0.00 0.03 0.00 0.00 46.19 45.77 2x4j s LEU 96 CO 0.09 -0.71 2.08 0.00 0.23 0.00 0.00 176.35 178.03 2x4j h ALA 97 N 1.21 1.85 0.00 4.21 0.00 -1.99 -3.25 119.26 121.30 2x4j h ALA 97 Ca -0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2x4j h ALA 97 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2x4j h ALA 97 CO 0.66 0.11 -0.11 0.09 0.00 0.00 0.00 179.25 179.99 2x4j n ASN 98 N -4.45 1.62 0.00 0.00 5.03 -1.26 -5.08 115.26 111.13 2x4j n ASN 98 Ca -0.02 -2.56 0.00 0.00 0.87 0.00 0.00 54.58 52.87 2x4j n ASN 98 Cb 0.15 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 2x4j n ASN 98 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x4j n GLY 99 N -0.89 -0.55 3.26 7.41 0.00 -1.23 -5.17 105.19 108.04 2x4j n GLY 99 Ca 0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 2x4j n GLY 99 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x4j s ARG 100 N -0.77 0.88 -0.11 1.61 1.70 -1.26 -1.12 118.95 119.87 2x4j s ARG 100 Ca 0.00 -0.61 0.02 0.00 -0.47 0.00 0.00 55.73 54.66 2x4j s ARG 100 Cb 0.00 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 2x4j s ARG 100 CO 0.00 -0.30 -0.15 0.08 -1.08 0.00 0.00 175.30 173.85 2x4j s VAL 101 N -3.02 1.51 -0.07 4.99 1.01 0.34 -4.97 120.40 120.19 2x4j s VAL 101 Ca -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2x4j s VAL 101 Cb 0.01 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 35.01 2x4j s VAL 101 CO -0.06 0.44 -0.15 -1.10 0.00 0.00 0.00 175.10 174.23 2x4j s GLN 102 N 1.02 2.06 0.00 2.72 -0.21 -1.26 -0.01 119.66 123.98 2x4j s GLN 102 Ca -0.06 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.78 2x4j s GLN 102 Cb -0.15 -1.65 0.00 0.00 1.00 0.00 0.00 33.01 32.22 2x4j s GLN 102 CO -0.02 0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 2x4j n GLY 103 N 3.72 -1.09 3.67 3.09 0.00 -0.95 -4.82 105.19 108.81 2x4j n GLY 103 Ca -0.22 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2x4j n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x4j s ARG 104 N -0.01 4.30 0.01 1.61 3.52 -0.45 -0.72 118.95 127.21 2x4j s ARG 104 Ca 0.00 1.01 -0.30 0.00 -0.13 0.00 0.00 55.73 56.31 2x4j s ARG 104 Cb 0.00 -3.57 -0.07 0.00 -1.56 0.00 0.00 34.95 29.75 2x4j s ARG 104 CO 0.00 -0.32 1.66 -1.17 -0.81 0.00 0.00 175.30 174.65 2x4j s LEU 105 N 2.13 4.35 -0.20 -0.88 2.96 0.44 -0.30 118.68 127.18 2x4j s LEU 105 Ca 0.38 2.37 -0.20 0.00 -0.22 0.00 0.00 54.13 56.46 2x4j s LEU 105 Cb -0.17 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.78 2x4j s LEU 105 CO 0.12 -0.90 0.22 0.40 -1.32 0.00 0.00 176.35 174.87 2x4j h ILE 106 N 5.17 0.88 -2.18 6.68 2.04 -1.29 -0.71 117.51 128.10 2x4j h ILE 106 Ca -0.41 -2.19 0.11 0.00 1.00 0.00 0.00 64.86 63.37 2x4j h ILE 106 Cb 1.19 2.23 -0.16 0.00 -0.74 0.00 0.00 36.82 39.34 2x4j h ILE 106 CO 0.94 0.35 0.51 -0.62 0.00 0.00 0.00 178.15 179.33 2x4j s ASP 107 N -6.88 -0.36 -0.15 1.72 2.15 -1.15 -4.80 116.67 107.20 2x4j s ASP 107 Ca -0.28 0.04 -0.00 0.00 0.43 0.00 0.00 52.55 52.73 2x4j s ASP 107 Cb 0.06 0.37 0.04 0.00 -0.30 0.00 0.00 42.92 43.08 2x4j s ASP 107 CO 0.60 -0.58 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.32 2x4j s ILE 108 N -2.92 1.19 0.00 4.11 1.01 -1.26 -0.98 121.20 122.35 2x4j s ILE 108 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2x4j s ILE 108 Cb -0.01 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.18 2x4j s ILE 108 CO -0.08 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2x4j n GLY 109 N 4.86 1.65 0.12 6.18 0.00 0.09 -4.98 105.19 113.11 2x4j n GLY 109 Ca -0.13 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 2x4j n GLY 109 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2x4j h VAL 110 N -0.03 1.20 -0.01 1.61 2.07 -2.04 -3.33 116.25 115.72 2x4j h VAL 110 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2x4j h VAL 110 Cb 0.00 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2x4j h VAL 110 CO 0.00 0.19 -0.33 -1.22 0.02 0.00 0.00 177.57 176.23 2x4j n TYR 111 N -4.80 0.00 -3.87 1.57 4.01 -1.26 -4.99 117.16 107.82 2x4j n TYR 111 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 2x4j n TYR 111 Cb 0.16 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.10 2x4j n TYR 111 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2x4j s GLU 112 N -1.76 0.66 -0.11 -0.72 1.03 -1.25 -0.67 118.70 115.89 2x4j s GLU 112 Ca 0.10 -0.65 0.00 0.00 0.03 0.00 0.00 54.97 54.45 2x4j s GLU 112 Cb 0.11 0.27 -0.02 0.00 -0.80 0.00 0.00 34.13 33.69 2x4j s GLU 112 CO 0.37 -0.18 -0.11 0.08 -1.33 0.00 0.00 175.26 174.09 2x4j s VAL 113 N -2.54 3.32 -0.19 1.83 1.01 0.25 -0.73 120.40 123.34 2x4j s VAL 113 Ca -0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2x4j s VAL 113 Cb -0.01 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2x4j s VAL 113 CO -0.04 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.73 2x4j s LEU 114 N -0.08 2.60 -0.03 3.92 1.43 -0.15 -0.98 118.68 125.39 2x4j s LEU 114 Ca -0.01 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2x4j s LEU 114 Cb -0.14 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2x4j s LEU 114 CO 0.03 0.03 -0.19 -0.69 0.23 0.00 0.00 176.35 175.76 2x4j s VAL 115 N 1.18 1.54 -0.20 -1.59 1.01 -0.08 -0.75 120.40 121.50 2x4j s VAL 115 Ca 0.02 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 2x4j s VAL 115 Cb -0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2x4j s VAL 115 CO -0.04 0.44 0.69 -0.70 0.00 0.00 0.00 175.10 175.48 2x4j s GLU 116 N -0.22 4.21 -0.11 2.72 2.12 0.59 0.00 118.70 128.01 2x4j s GLU 116 Ca 0.02 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.09 2x4j s GLU 116 Cb -0.10 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2x4j s GLU 116 CO 0.01 -0.31 -0.18 -1.21 -0.54 0.00 0.00 175.26 173.03 2x4j s GLU 117 N 2.13 2.54 4.99 4.30 8.01 -0.38 -1.34 118.70 138.94 2x4j s GLU 117 Ca 0.31 -0.68 0.00 0.00 0.01 0.00 0.00 54.97 54.60 2x4j s GLU 117 Cb -0.16 -2.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.59 2x4j s GLU 117 CO 0.10 -0.01 0.00 0.28 0.01 0.00 0.00 175.26 175.64 2x4j n VAL 118 N 4.04 0.00 -0.98 2.63 0.31 -1.26 -1.75 118.33 121.31 2x4j n VAL 118 Ca -0.20 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.19 2x4j n VAL 118 Cb 0.52 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.77 2x4j n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x4j n GLY 119 N 0.00 3.58 3.55 2.92 0.00 -1.26 -4.96 105.19 109.02 2x4j n GLY 119 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2x4j n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x4j s ASP 120 N -1.34 4.30 -0.25 1.61 1.01 -0.72 -5.10 116.67 116.17 2x4j s ASP 120 Ca 0.50 -0.32 -0.24 0.00 0.71 0.00 0.00 52.55 53.19 2x4j s ASP 120 Cb 0.39 -0.85 -0.00 0.00 1.01 0.00 0.00 42.92 43.47 2x4j s ASP 120 CO 0.12 0.23 0.83 -0.63 0.21 0.00 0.00 175.17 175.93 2x4j s ILE 121 N -1.07 4.82 -0.29 0.77 1.01 -1.26 -1.25 121.20 123.94 2x4j s ILE 121 Ca 0.18 1.51 -0.14 0.00 0.00 0.00 0.00 60.65 62.21 2x4j s ILE 121 Cb -0.11 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2x4j s ILE 121 CO 0.09 -0.11 0.31 -0.63 0.00 0.00 0.00 174.94 174.61 2x4j s ILE 122 N 2.88 5.22 -0.05 2.92 -1.09 0.10 -4.96 121.20 126.22 2x4j s ILE 122 Ca 0.35 0.34 -0.17 0.00 -2.23 0.00 0.00 60.65 58.93 2x4j s ILE 122 Cb -0.15 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 2x4j s ILE 122 CO 0.08 0.14 0.46 -0.47 -1.23 0.00 0.00 174.94 173.93 2x4j s TYR 123 N 1.95 3.62 -0.08 3.97 5.04 -1.26 -0.91 117.35 129.69 2x4j s TYR 123 Ca 0.12 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 55.71 2x4j s TYR 123 Cb -0.16 -2.45 0.03 0.00 0.35 0.00 0.00 41.96 39.72 2x4j s TYR 123 CO 0.11 0.38 -0.03 0.42 -1.34 0.00 0.00 175.55 175.09 2x4j s ILE 124 N -0.17 0.59 0.40 3.14 1.09 -0.15 -5.00 121.20 121.10 2x4j s ILE 124 Ca 0.25 -0.04 -0.27 0.00 -1.10 0.00 0.00 60.65 59.50 2x4j s ILE 124 Cb -0.16 -0.68 -0.09 0.00 -1.06 0.00 0.00 42.46 40.46 2x4j s ILE 124 CO 0.12 0.28 1.39 -2.28 -0.10 0.00 0.00 174.94 174.36 2x4j s HIS 125 N 1.69 2.68 0.41 3.97 5.65 -1.26 -0.59 115.29 127.85 2x4j s HIS 125 Ca 0.02 1.30 0.15 0.00 0.25 0.00 0.00 55.06 56.78 2x4j s HIS 125 Cb -0.13 -3.85 1.02 0.00 -1.18 0.00 0.00 32.58 28.44 2x4j s HIS 125 CO -0.05 -2.56 1.89 0.87 -0.65 0.00 0.00 174.74 174.24 2x4j h LYS 126 N 2.78 0.45 0.00 2.88 1.57 -1.22 -0.49 116.57 122.54 2x4j h LYS 126 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2x4j h LYS 126 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2x4j h LYS 126 CO 0.63 0.30 0.00 -0.44 -0.57 0.00 0.00 179.45 179.37 2x4j h ASP 127 N 0.46 0.00 0.24 0.86 3.32 -1.90 -1.53 116.42 117.87 2x4j h ASP 127 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2x4j h ASP 127 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2x4j h ASP 127 CO -0.15 0.00 -0.75 0.18 -1.72 0.00 0.00 179.24 176.80 2x4j n LEU 128 N -2.95 0.78 -4.54 1.55 4.77 -0.20 -4.78 117.00 111.64 2x4j n LEU 128 Ca -0.01 -0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 2x4j n LEU 128 Cb 0.20 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2x4j n LEU 128 CO 0.23 0.19 1.17 -0.69 -1.33 0.00 0.00 177.39 176.96 2x4j s VAL 129 N -2.99 3.88 0.12 4.08 1.01 -0.58 -4.37 120.40 121.55 2x4j s VAL 129 Ca 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2x4j s VAL 129 Cb 0.17 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 2x4j s VAL 129 CO 0.78 -1.81 1.49 0.22 0.00 0.00 0.00 175.10 175.78 2x4j h TYR 130 N 9.87 0.87 -2.52 5.22 3.20 -1.27 -3.39 116.97 128.96 2x4j h TYR 130 Ca -0.16 -0.22 -0.07 0.00 3.14 0.00 0.00 58.73 61.42 2x4j h TYR 130 Cb 1.04 -0.20 -0.18 0.00 1.54 0.00 0.00 36.73 38.94 2x4j h TYR 130 CO 1.14 0.95 0.07 0.00 -1.64 0.00 0.00 178.16 178.68 2x4j s ALA 131 N -4.61 -1.44 -0.14 1.82 0.00 -1.09 -0.83 121.76 115.48 2x4j s ALA 131 Ca -0.12 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 2x4j s ALA 131 Cb 0.10 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.48 2x4j s ALA 131 CO 0.82 -0.44 -0.02 -1.17 0.00 0.00 0.00 175.76 174.96 2x4j s LEU 132 N -1.63 1.17 0.15 0.00 0.20 -0.25 -0.06 118.68 118.26 2x4j s LEU 132 Ca -0.08 -0.48 0.08 0.00 0.69 0.00 0.00 54.13 54.34 2x4j s LEU 132 Cb -0.01 -0.70 -0.04 0.00 -0.43 0.00 0.00 46.19 45.00 2x4j s LEU 132 CO 0.03 -0.20 -0.10 0.00 -0.29 0.00 0.00 176.35 175.79 2x4j s TRP 134 N -1.49 0.10 0.37 0.00 -2.14 -0.08 -1.18 118.94 114.53 2x4j s TRP 134 Ca 0.23 -0.30 -0.26 0.00 2.66 0.00 0.00 56.10 58.43 2x4j s TRP 134 Cb -0.10 -0.08 -0.09 0.00 -3.10 0.00 0.00 33.47 30.11 2x4j s TRP 134 CO 0.14 -0.36 1.12 -1.25 -2.66 0.00 0.00 176.95 173.95 2x4j s PRO 135 N -2.16 4.21 0.00 3.25 0.04 -1.26 -1.05 135.00 138.03 2x4j s PRO 135 Ca -0.08 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.75 2x4j s PRO 135 Cb -0.03 -2.75 0.30 0.00 0.04 0.00 0.00 34.50 32.06 2x4j s PRO 135 CO -0.02 -0.15 0.77 1.63 0.04 0.00 0.00 177.00 179.26