#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2re3 n ALA 11 N 0.00 2.72 -3.64 -1.46 0.00 -1.26 -5.00 120.51 111.86 2re3 n ALA 11 Ca 0.00 -2.52 -0.33 0.00 0.00 0.00 0.00 53.44 50.59 2re3 n ALA 11 Cb 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 2re3 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2re3 s ASP 12 N -2.33 3.21 0.40 0.00 1.11 -1.26 -5.15 116.67 112.65 2re3 s ASP 12 Ca 0.32 -0.58 0.00 0.00 0.18 0.00 0.00 52.55 52.46 2re3 s ASP 12 Cb 0.34 -1.47 0.00 0.00 1.07 0.00 0.00 42.92 42.86 2re3 s ASP 12 CO -0.11 0.08 0.00 0.61 1.18 0.00 0.00 175.17 176.93 2re3 n GLY 13 N 4.09 0.44 0.19 0.21 0.00 -1.26 -4.77 105.19 104.09 2re3 n GLY 13 Ca -0.20 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 2re3 n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2re3 h LEU 14 N 0.00 -0.41 -0.96 0.99 5.85 -2.01 -1.02 115.31 117.76 2re3 h LEU 14 Ca 0.00 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2re3 h LEU 14 Cb 0.00 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2re3 h LEU 14 CO 0.00 -0.28 0.61 -0.07 -0.34 0.00 0.00 178.44 178.36 2re3 h LEU 15 N -0.46 0.97 -0.27 2.25 4.07 -1.99 -1.45 115.31 118.42 2re3 h LEU 15 Ca -0.05 0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.77 2re3 h LEU 15 Cb 0.36 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2re3 h LEU 15 CO 0.07 0.61 -0.47 0.00 -1.08 0.00 0.00 178.44 177.57 2re3 h ALA 16 N 1.45 0.42 -0.92 1.53 0.00 -1.94 -2.08 119.26 117.72 2re3 h ALA 16 Ca 0.42 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2re3 h ALA 16 Cb 0.20 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2re3 h ALA 16 CO -0.18 0.58 0.57 0.77 0.00 0.00 0.00 179.25 180.99 2re3 h SER 17 N 0.56 0.85 -0.65 0.00 0.02 -0.84 -1.43 113.55 112.06 2re3 h SER 17 Ca 0.02 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2re3 h SER 17 Cb 1.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2re3 h SER 17 CO 0.11 0.49 0.06 0.00 -1.14 0.00 0.00 176.83 176.35 2re3 h ALA 18 N 1.48 0.87 0.00 3.77 0.00 -1.03 -2.76 119.26 121.59 2re3 h ALA 18 Ca 0.43 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2re3 h ALA 18 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2re3 h ALA 18 CO -0.23 0.67 -0.27 0.00 0.00 0.00 0.00 179.25 179.43 2re3 h ARG 19 N 1.02 0.00 0.00 0.00 3.08 -0.79 -2.30 114.38 115.39 2re3 h ARG 19 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2re3 h ARG 19 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2re3 h ARG 19 CO 0.02 0.27 -0.11 0.00 -1.07 0.00 0.00 179.97 179.07 2re3 h ALA 20 N 1.73 0.96 -2.82 0.04 0.00 -0.99 -3.44 119.26 114.74 2re3 h ALA 20 Ca -0.00 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 54.22 2re3 h ALA 20 Cb 0.58 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2re3 h ALA 20 CO 0.03 0.14 -0.13 0.42 0.00 0.00 0.00 179.25 179.72 2re3 s ILE 21 N -3.39 5.08 0.10 0.00 1.01 -0.87 -5.10 121.20 118.03 2re3 s ILE 21 Ca 0.04 0.99 0.09 0.00 0.00 0.00 0.00 60.65 61.77 2re3 s ILE 21 Cb 0.07 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2re3 s ILE 21 CO 0.64 0.42 -0.23 -0.54 0.00 0.00 0.00 174.94 175.22 2re3 s LYS 22 N -0.03 1.30 -0.17 2.79 3.01 -1.26 -4.96 119.74 120.42 2re3 s LYS 22 Ca 0.26 -1.20 -0.20 0.00 -1.01 0.00 0.00 55.97 53.82 2re3 s LYS 22 Cb -0.16 -1.62 0.05 0.00 -1.01 0.00 0.00 37.83 35.09 2re3 s LYS 22 CO 0.13 0.39 0.55 -1.54 0.51 0.00 0.00 175.35 175.39 2re3 s SER 23 N -1.83 -0.56 0.00 2.83 1.04 -1.26 -5.01 113.70 108.92 2re3 s SER 23 Ca 0.10 0.98 0.14 0.00 0.48 0.00 0.00 55.95 57.64 2re3 s SER 23 Cb -0.10 0.99 0.33 0.00 0.10 0.00 0.00 66.02 67.34 2re3 s SER 23 CO 0.04 -0.27 1.24 0.29 0.98 0.00 0.00 173.24 175.52 2re3 n LYS 24 N 2.41 2.43 -3.69 4.02 5.02 -1.26 -5.05 118.16 122.03 2re3 n LYS 24 Ca -0.15 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.13 2re3 n LYS 24 Cb 0.56 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 2re3 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2re3 n GLY 25 N 0.78 -1.66 3.71 0.72 0.00 -1.26 -5.12 105.19 102.36 2re3 n GLY 25 Ca 0.13 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2re3 n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2re3 s PRO 26 N -1.57 4.33 0.40 1.61 0.02 -1.26 -4.88 135.00 133.65 2re3 s PRO 26 Ca 0.00 2.04 -0.24 0.00 0.02 0.00 0.00 61.00 62.82 2re3 s PRO 26 Cb 0.00 -3.28 -0.09 0.00 0.02 0.00 0.00 34.50 31.15 2re3 s PRO 26 CO 0.00 -0.43 1.04 0.00 -0.33 0.00 0.00 177.00 177.28 2re3 s ALA 27 N 1.20 3.07 -1.10 -1.55 0.00 -0.25 -4.92 121.76 118.21 2re3 s ALA 27 Ca 0.64 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 2re3 s ALA 27 Cb -0.36 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 2re3 s ALA 27 CO 0.30 -0.19 2.32 -0.35 0.00 0.00 0.00 175.76 177.85 2re3 n PRO 28 N -0.14 2.49 0.31 0.00 -0.04 -1.26 -4.74 135.00 131.62 2re3 n PRO 28 Ca 0.05 -1.68 0.20 0.00 -0.04 0.00 0.00 63.50 62.03 2re3 n PRO 28 Cb 0.50 -2.57 0.99 0.00 -0.04 0.00 0.00 33.50 32.38 2re3 n PRO 28 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2re3 h VAL 29 N 3.38 0.00 0.00 0.52 -1.51 -1.90 -1.34 116.25 115.40 2re3 h VAL 29 Ca 0.59 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.86 2re3 h VAL 29 Cb 0.22 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2re3 h VAL 29 CO 1.56 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 179.31 2re3 n HIS 30 N -3.04 0.00 0.61 5.19 8.25 -1.26 -2.10 115.22 122.87 2re3 n HIS 30 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 2re3 n HIS 30 Cb 0.16 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.56 2re3 n HIS 30 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2re3 n LEU 31 N -0.93 0.75 -4.28 2.41 4.77 -0.50 -4.91 117.00 114.30 2re3 n LEU 31 Ca 0.18 0.40 -0.33 0.00 -0.03 0.00 0.00 56.01 56.23 2re3 n LEU 31 Cb 0.08 -0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 2re3 n LEU 31 CO 0.14 -0.11 -0.50 0.26 -1.33 0.00 0.00 177.39 175.84 2re3 s TRP 32 N -3.13 2.71 -0.49 -1.77 0.51 -0.89 -5.03 118.94 110.85 2re3 s TRP 32 Ca 0.08 -0.90 0.08 0.00 -2.12 0.00 0.00 56.10 53.24 2re3 s TRP 32 Cb 0.13 -1.80 0.33 0.00 -0.81 0.00 0.00 33.47 31.32 2re3 s TRP 32 CO 0.66 -0.36 0.82 0.09 -0.51 0.00 0.00 176.95 177.65 2re3 n ASN 33 N 3.65 2.75 -4.77 2.95 3.02 -1.26 -5.03 115.26 116.58 2re3 n ASN 33 Ca -0.19 -3.35 -0.30 0.00 -0.03 0.00 0.00 54.58 50.72 2re3 n ASN 33 Cb 0.53 -0.60 0.11 0.00 -0.61 0.00 0.00 39.78 39.21 2re3 n ASN 33 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2re3 s PRO 34 N -2.86 1.66 0.74 3.52 0.04 -1.26 -5.00 135.00 131.84 2re3 s PRO 34 Ca 0.44 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 2re3 s PRO 34 Cb 0.29 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 33.01 2re3 s PRO 34 CO -0.11 -1.92 1.11 -1.25 0.04 0.00 0.00 177.00 174.87 2re3 s PRO 35 N -5.08 2.36 -0.22 0.56 0.04 -1.26 -4.69 135.00 126.71 2re3 s PRO 35 Ca 0.62 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 2re3 s PRO 35 Cb -0.16 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 2re3 s PRO 35 CO 0.55 -1.58 0.92 0.12 0.04 0.00 0.00 177.00 177.05 2re3 s PHE 36 N -2.63 3.35 -0.33 0.56 5.36 -1.26 -3.02 117.98 120.01 2re3 s PHE 36 Ca 0.64 1.30 0.09 0.00 -0.96 0.00 0.00 56.93 58.01 2re3 s PHE 36 Cb -0.19 -3.13 0.63 0.00 -0.34 0.00 0.00 43.02 39.99 2re3 s PHE 36 CO 0.50 -0.40 1.70 0.09 -1.46 0.00 0.00 175.22 175.65 2re3 n ASN 37 N 5.95 3.79 0.00 6.13 4.13 0.18 -4.98 115.26 130.46 2re3 n ASN 37 Ca 0.08 -3.45 0.00 0.00 1.68 0.00 0.00 54.58 52.89 2re3 n ASN 37 Cb 0.47 -0.72 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 2re3 n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2re3 n GLY 38 N -0.73 1.49 3.79 7.41 0.00 -1.26 -4.94 105.19 110.96 2re3 n GLY 38 Ca 0.41 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 2re3 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2re3 s ASP 39 N 0.00 7.23 0.30 1.61 1.01 -1.26 -0.94 116.67 124.62 2re3 s ASP 39 Ca 0.00 1.46 0.06 0.00 0.71 0.00 0.00 52.55 54.79 2re3 s ASP 39 Cb 0.00 -2.43 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 2re3 s ASP 39 CO 0.00 0.23 0.40 0.27 0.21 0.00 0.00 175.17 176.28 2re3 s ILE 40 N -1.15 4.38 -0.41 0.77 -4.36 -0.72 -4.84 121.20 114.87 2re3 s ILE 40 Ca 0.33 -1.07 -0.23 0.00 -0.26 0.00 0.00 60.65 59.43 2re3 s ILE 40 Cb -0.21 -3.51 0.02 0.00 1.25 0.00 0.00 42.46 40.00 2re3 s ILE 40 CO 0.23 -0.22 0.76 -0.62 0.24 0.00 0.00 174.94 175.33 2re3 s ASP 41 N -4.07 6.45 0.00 4.36 -1.08 -1.26 -4.76 116.67 116.31 2re3 s ASP 41 Ca 0.41 0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 2re3 s ASP 41 Cb -0.09 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 2re3 s ASP 41 CO 0.30 -0.82 0.00 -1.14 0.52 0.00 0.00 175.17 174.03 2re3 n ARG 43 N 6.53 0.00 -3.08 4.34 0.63 -0.03 -0.76 116.66 124.29 2re3 n ARG 43 Ca 0.02 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.52 2re3 n ARG 43 Cb 0.48 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.33 2re3 n ARG 43 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2re3 s ILE 44 N 0.00 4.76 1.07 5.15 1.01 -0.13 -0.44 121.20 132.63 2re3 s ILE 44 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 2re3 s ILE 44 Cb 0.00 -4.32 0.22 0.00 0.01 0.00 0.00 42.46 38.38 2re3 s ILE 44 CO 0.00 -0.80 1.10 0.00 0.00 0.00 0.00 174.94 175.24 2re3 s ALA 45 N 2.96 0.84 0.34 9.38 0.00 0.16 -2.05 121.76 133.37 2re3 s ALA 45 Ca 0.21 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.63 2re3 s ALA 45 Cb -0.16 -3.03 0.60 0.00 0.00 0.00 0.00 23.12 20.53 2re3 s ALA 45 CO 0.16 -3.10 1.85 -0.09 0.00 0.00 0.00 175.76 174.58 2re3 h ARG 46 N -2.13 0.46 -0.01 0.00 2.43 -1.88 -1.77 114.38 111.48 2re3 h ARG 46 Ca -0.52 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2re3 h ARG 46 Cb 1.32 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2re3 h ARG 46 CO 0.50 0.55 0.00 -0.40 -1.51 0.00 0.00 179.97 179.11 2re3 n ASP 47 N -4.25 0.05 0.00 -3.80 5.75 -1.26 -4.87 116.55 108.18 2re3 n ASP 47 Ca 0.01 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 2re3 n ASP 47 Cb 0.28 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2re3 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2re3 n GLY 48 N 0.73 1.44 3.76 6.12 0.00 -0.66 -4.92 105.19 111.65 2re3 n GLY 48 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2re3 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2re3 s THR 49 N -2.39 2.89 -0.19 2.61 2.01 -1.26 -4.74 115.64 114.57 2re3 s THR 49 Ca 0.00 0.85 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 2re3 s THR 49 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2re3 s THR 49 CO 0.00 0.18 0.15 0.26 -0.69 0.00 0.00 174.62 174.52 2re3 s TRP 50 N -0.82 3.43 -0.15 4.92 0.52 -1.26 -0.67 118.94 124.92 2re3 s TRP 50 Ca 0.51 0.38 0.00 0.00 0.02 0.00 0.00 56.10 57.01 2re3 s TRP 50 Cb -0.38 -2.16 -0.00 0.00 -1.15 0.00 0.00 33.47 29.77 2re3 s TRP 50 CO 0.48 0.32 -0.15 -0.06 0.02 0.00 0.00 176.95 177.56 2re3 s PHE 51 N 0.25 2.78 -0.15 -1.98 0.40 0.42 -1.27 117.98 118.42 2re3 s PHE 51 Ca 0.10 -1.01 -0.00 0.00 -0.60 0.00 0.00 56.93 55.41 2re3 s PHE 51 Cb -0.11 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2re3 s PHE 51 CO -0.01 -0.45 -0.13 -0.47 0.70 0.00 0.00 175.22 174.86 2re3 s TYR 52 N 0.77 2.82 -1.26 0.36 5.04 -0.22 -0.85 117.35 124.01 2re3 s TYR 52 Ca -0.06 -0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 53.63 2re3 s TYR 52 Cb -0.15 -1.90 0.04 0.00 0.35 0.00 0.00 41.96 40.29 2re3 s TYR 52 CO 0.01 -0.39 0.36 1.04 -1.34 0.00 0.00 175.55 175.23 2re3 n GLN 53 N 3.97 -3.28 -0.67 4.97 6.02 0.06 -1.09 117.38 127.35 2re3 n GLN 53 Ca -0.19 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2re3 n GLN 53 Cb 0.52 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.50 2re3 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2re3 n GLY 54 N -1.12 1.37 3.61 1.08 0.00 -1.26 -5.03 105.19 103.84 2re3 n GLY 54 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2re3 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2re3 s THR 55 N -3.56 4.75 0.67 2.61 2.01 -0.25 -5.03 115.64 116.85 2re3 s THR 55 Ca 0.00 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2re3 s THR 55 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.36 2re3 s THR 55 CO 0.00 0.44 1.15 -2.16 -0.69 0.00 0.00 174.62 173.36 2re3 s PRO 56 N 0.56 2.61 -0.39 4.92 0.04 -1.26 -1.05 135.00 140.42 2re3 s PRO 56 Ca 0.03 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.66 2re3 s PRO 56 Cb -0.13 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.62 2re3 s PRO 56 CO 0.01 -1.43 0.15 0.42 0.04 0.00 0.00 177.00 176.19 2re3 s ILE 57 N -2.12 1.74 -1.12 0.56 -1.09 -0.40 -4.85 121.20 113.92 2re3 s ILE 57 Ca 0.71 -2.35 -0.16 0.00 -2.23 0.00 0.00 60.65 56.62 2re3 s ILE 57 Cb -0.24 -2.26 0.15 0.00 -1.58 0.00 0.00 42.46 38.52 2re3 s ILE 57 CO 0.41 -0.74 1.36 0.20 -1.23 0.00 0.00 174.94 174.94 2re3 s ASN 58 N 0.71 6.91 -0.45 3.58 -0.87 -1.26 -4.64 114.94 118.91 2re3 s ASN 58 Ca 0.14 -2.63 0.05 0.00 -1.57 0.00 0.00 52.86 48.85 2re3 s ASN 58 Cb -0.21 -2.42 0.18 0.00 -0.02 0.00 0.00 41.25 38.78 2re3 s ASN 58 CO -0.09 -0.89 0.51 -0.13 -2.57 0.00 0.00 177.10 173.94 2re3 s ARG 59 N 2.18 0.94 0.40 -0.60 0.52 -1.26 -5.05 118.95 116.07 2re3 s ARG 59 Ca 0.40 -1.48 0.08 0.00 -0.52 0.00 0.00 55.73 54.22 2re3 s ARG 59 Cb -0.03 -0.72 0.86 0.00 0.52 0.00 0.00 34.95 35.58 2re3 s ARG 59 CO -0.03 -1.34 2.01 -1.35 0.02 0.00 0.00 175.30 174.62 2re3 h PRO 60 N 5.58 0.57 -0.02 3.54 0.11 -2.02 -2.09 132.00 137.67 2re3 h PRO 60 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2re3 h PRO 60 Cb 1.02 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2re3 h PRO 60 CO 0.19 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 2re3 n ALA 61 N -2.48 1.13 0.00 -0.75 0.00 -1.26 -0.67 120.51 116.48 2re3 n ALA 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2re3 n ALA 61 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2re3 n ALA 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2re3 n VAL 63 N 0.31 0.00 -0.36 0.00 0.31 -0.79 -1.34 118.33 116.47 2re3 n VAL 63 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2re3 n VAL 63 Cb 0.01 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.04 2re3 n VAL 63 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2re3 h ARG 64 N 0.00 1.25 0.06 5.55 3.08 -1.17 -0.26 114.38 122.89 2re3 h ARG 64 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2re3 h ARG 64 Cb 0.00 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.77 2re3 h ARG 64 CO 0.00 0.82 -0.03 1.25 -1.07 0.00 0.00 179.97 180.94 2re3 h LEU 65 N 1.28 -0.07 -0.56 3.04 5.85 -1.46 -1.87 115.31 121.52 2re3 h LEU 65 Ca 0.35 -0.26 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 2re3 h LEU 65 Cb -0.13 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2re3 h LEU 65 CO -0.08 0.23 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.66 2re3 h PHE 66 N -0.38 0.95 -0.57 1.25 0.04 -1.83 -2.43 116.94 113.97 2re3 h PHE 66 Ca -0.01 -0.26 0.16 0.00 2.80 0.00 0.00 57.97 60.66 2re3 h PHE 66 Cb 0.33 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2re3 h PHE 66 CO 0.02 1.02 0.41 0.77 -0.60 0.00 0.00 178.31 179.93 2re3 h SER 67 N 0.68 0.03 0.95 2.17 0.02 -0.90 -1.97 113.55 114.53 2re3 h SER 67 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2re3 h SER 67 Cb 0.87 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2re3 h SER 67 CO 0.08 0.02 0.00 0.77 -1.14 0.00 0.00 176.83 176.55 2re3 h SER 68 N 0.04 0.00 -0.20 3.07 4.64 -0.82 -2.75 113.55 117.53 2re3 h SER 68 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2re3 h SER 68 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2re3 h SER 68 CO -0.01 0.00 -0.01 2.30 -0.87 0.00 0.00 176.83 178.23 2re3 n ILE 69 N -2.75 2.21 -2.13 0.95 -5.35 -0.74 -1.08 119.36 110.46 2re3 n ILE 69 Ca 0.01 -2.08 -0.40 0.00 -0.27 0.00 0.00 62.75 60.01 2re3 n ILE 69 Cb 0.28 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 37.91 2re3 n ILE 69 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2re3 s LEU 70 N -2.89 4.36 -0.01 7.28 1.43 -1.04 -0.87 118.68 126.94 2re3 s LEU 70 Ca 0.40 2.63 -0.00 0.00 -1.03 0.00 0.00 54.13 56.12 2re3 s LEU 70 Cb 0.33 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.82 2re3 s LEU 70 CO 0.06 -0.61 0.02 -0.75 0.23 0.00 0.00 176.35 175.30 2re3 s LYS 71 N -1.94 -0.02 -0.18 1.70 2.20 0.10 -4.89 119.74 116.71 2re3 s LYS 71 Ca 0.51 0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 56.14 2re3 s LYS 71 Cb -0.38 -0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 35.76 2re3 s LYS 71 CO 0.50 -0.09 0.13 0.50 -0.36 0.00 0.00 175.35 176.03 2re3 s ARG 72 N 0.57 3.98 -0.11 4.03 3.52 -1.26 -0.83 118.95 128.86 2re3 s ARG 72 Ca -0.05 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2re3 s ARG 72 Cb -0.07 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 2re3 s ARG 72 CO -0.02 0.42 -0.02 -1.21 -0.81 0.00 0.00 175.30 173.67 2re3 s GLU 73 N -0.00 0.89 7.42 5.12 2.02 -0.63 -4.99 118.70 128.53 2re3 s GLU 73 Ca 0.10 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.99 2re3 s GLU 73 Cb -0.11 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.76 2re3 s GLU 73 CO -0.00 -0.35 0.00 0.39 0.02 0.00 0.00 175.26 175.31 2re3 n GLU 74 N 5.07 0.00 -0.27 1.61 1.02 -1.26 -1.32 120.64 125.49 2re3 n GLU 74 Ca -0.09 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.12 2re3 n GLU 74 Cb 0.49 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.10 2re3 n GLU 74 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2re3 n ASP 75 N 9.58 3.20 -4.86 1.62 8.00 -1.26 -5.02 116.55 127.80 2re3 n ASP 75 Ca 0.00 -2.58 -0.21 0.00 0.71 0.00 0.00 54.79 52.71 2re3 n ASP 75 Cb 0.00 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 2re3 n ASP 75 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2re3 s ARG 76 N -2.03 2.74 -0.03 -1.24 0.52 -0.44 -5.09 118.95 113.39 2re3 s ARG 76 Ca 0.30 -1.29 0.04 0.00 -0.52 0.00 0.00 55.73 54.27 2re3 s ARG 76 Cb 0.23 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 33.19 2re3 s ARG 76 CO 0.10 0.07 -0.14 -0.06 0.02 0.00 0.00 175.30 175.29 2re3 s PHE 77 N -2.30 1.35 0.22 -0.53 0.40 -1.26 -1.61 117.98 114.25 2re3 s PHE 77 Ca 0.42 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.45 2re3 s PHE 77 Cb -0.06 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 2re3 s PHE 77 CO 0.27 -0.09 0.00 0.71 0.70 0.00 0.00 175.22 176.81 2re3 s TYR 78 N -0.08 1.50 -0.20 0.36 1.51 -0.01 -1.33 117.35 119.10 2re3 s TYR 78 Ca 0.00 -0.95 -0.06 0.00 -1.01 0.00 0.00 57.07 55.05 2re3 s TYR 78 Cb -0.08 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 2re3 s TYR 78 CO 0.01 -0.08 0.02 -0.51 -1.11 0.00 0.00 175.55 173.88 2re3 s LEU 79 N -3.28 3.39 -0.09 -1.29 1.43 0.02 -0.73 118.68 118.13 2re3 s LEU 79 Ca 0.28 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2re3 s LEU 79 Cb 0.06 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2re3 s LEU 79 CO 0.08 0.07 -0.08 -0.69 0.23 0.00 0.00 176.35 175.96 2re3 s VAL 80 N 0.97 0.99 0.51 -1.59 1.01 -0.05 -1.73 120.40 120.52 2re3 s VAL 80 Ca 0.02 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.75 2re3 s VAL 80 Cb -0.14 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.28 2re3 s VAL 80 CO 0.02 0.35 0.38 0.42 0.00 0.00 0.00 175.10 176.27 2re3 s THR 81 N 1.33 1.85 0.49 3.92 -4.23 0.15 -4.81 115.64 114.33 2re3 s THR 81 Ca -0.02 -1.49 0.28 0.00 -1.18 0.00 0.00 61.69 59.28 2re3 s THR 81 Cb -0.14 -2.34 0.32 0.00 1.34 0.00 0.00 72.50 71.68 2re3 s THR 81 CO -0.04 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 175.54 2re3 h PRO 82 N 0.85 0.00 0.00 3.99 0.11 -1.98 -3.20 132.00 131.78 2re3 h PRO 82 Ca -0.38 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.58 2re3 h PRO 82 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 2re3 h PRO 82 CO 0.58 0.07 -2.12 1.33 -0.21 0.00 0.00 178.00 177.65 2re3 n VAL 83 N -3.72 0.56 -3.89 3.15 0.24 -1.26 -4.52 118.33 108.89 2re3 n VAL 83 Ca -0.02 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.34 61.54 2re3 n VAL 83 Cb 0.18 -0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 2re3 n VAL 83 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2re3 s GLU 84 N -3.05 0.50 -0.07 7.34 2.12 -1.21 -4.47 118.70 119.86 2re3 s GLU 84 Ca -0.09 -0.50 -0.03 0.00 0.36 0.00 0.00 54.97 54.72 2re3 s GLU 84 Cb 0.10 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.74 2re3 s GLU 84 CO 0.85 -0.12 0.12 0.21 -0.54 0.00 0.00 175.26 175.78 2re3 s LYS 85 N -1.68 0.01 0.10 4.30 2.20 -1.17 -0.68 119.74 122.82 2re3 s LYS 85 Ca -0.13 0.47 0.09 0.00 -0.36 0.00 0.00 55.97 56.04 2re3 s LYS 85 Cb -0.06 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.90 2re3 s LYS 85 CO -0.00 -0.29 -0.23 0.14 -0.36 0.00 0.00 175.35 174.62 2re3 s VAL 86 N 2.04 1.86 0.07 4.02 -7.23 -0.70 -0.64 120.40 119.81 2re3 s VAL 86 Ca 0.01 -1.56 -0.20 0.00 -1.81 0.00 0.00 61.98 58.42 2re3 s VAL 86 Cb -0.12 -1.67 -0.07 0.00 0.56 0.00 0.00 36.38 35.09 2re3 s VAL 86 CO -0.05 0.02 0.60 -0.83 -0.31 0.00 0.00 175.10 174.53 2re3 s GLY 87 N -1.85 2.70 0.19 2.32 0.00 -0.12 -0.80 107.32 109.76 2re3 s GLY 87 Ca 0.09 0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.96 2re3 s GLY 87 CO 0.04 0.57 -0.15 -0.26 0.00 0.00 0.00 173.10 173.30 2re3 s ILE 88 N -0.94 1.70 -0.11 0.90 -4.36 -0.44 -1.75 121.20 116.19 2re3 s ILE 88 Ca 0.30 -2.09 -0.16 0.00 -0.26 0.00 0.00 60.65 58.44 2re3 s ILE 88 Cb -0.20 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 2re3 s ILE 88 CO 0.20 -0.52 0.41 -0.13 0.24 0.00 0.00 174.94 175.13 2re3 s ARG 89 N -3.35 4.24 -0.15 0.37 3.00 -1.26 -4.38 118.95 117.41 2re3 s ARG 89 Ca 0.19 0.33 0.01 0.00 0.00 0.00 0.00 55.73 56.26 2re3 s ARG 89 Cb -0.02 -3.39 0.02 0.00 0.00 0.00 0.00 34.95 31.55 2re3 s ARG 89 CO 0.06 0.28 -0.16 0.08 0.00 0.00 0.00 175.30 175.57 2re3 s VAL 90 N 0.27 1.66 0.23 3.52 1.01 -1.26 -0.95 120.40 124.87 2re3 s VAL 90 Ca 0.23 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2re3 s VAL 90 Cb -0.15 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2re3 s VAL 90 CO 0.09 0.47 1.62 0.44 0.00 0.00 0.00 175.10 177.72 2re3 h ASP 91 N 7.89 0.60 0.00 3.32 3.32 -1.72 -3.46 116.42 126.37 2re3 h ASP 91 Ca -0.38 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2re3 h ASP 91 Cb 1.15 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2re3 h ASP 91 CO 0.54 0.90 0.00 -0.67 -1.72 0.00 0.00 179.24 178.29 2re3 n ASP 92 N -4.06 0.00 -4.67 6.45 -0.08 -1.26 -4.97 116.55 107.96 2re3 n ASP 92 Ca -0.01 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.97 2re3 n ASP 92 Cb 0.48 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.86 2re3 n ASP 92 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2re3 s ALA 93 N -1.77 3.22 0.03 -1.67 0.00 -1.26 -5.02 121.76 115.29 2re3 s ALA 93 Ca 0.00 -1.18 0.32 0.00 0.00 0.00 0.00 51.96 51.10 2re3 s ALA 93 Cb 0.00 -1.11 1.43 0.00 0.00 0.00 0.00 23.12 23.44 2re3 s ALA 93 CO 0.00 0.65 1.96 -1.00 0.00 0.00 0.00 175.76 177.37 2re3 h PRO 94 N 3.32 0.00 -5.11 0.00 0.13 -1.93 -3.45 132.00 124.95 2re3 h PRO 94 Ca -0.48 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.31 2re3 h PRO 94 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2re3 h PRO 94 CO 0.58 0.00 -0.71 -0.06 -0.23 0.00 0.00 178.00 177.58 2re3 s PHE 95 N -3.65 1.35 -0.09 1.56 0.08 -1.01 -4.96 117.98 111.25 2re3 s PHE 95 Ca 0.01 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.33 2re3 s PHE 95 Cb 0.09 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2re3 s PHE 95 CO 0.47 0.09 -0.20 0.08 -0.10 0.00 0.00 175.22 175.55 2re3 s VAL 96 N -3.31 1.78 -0.35 -0.44 1.01 -1.26 -1.40 120.40 116.42 2re3 s VAL 96 Ca 0.19 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2re3 s VAL 96 Cb 0.03 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2re3 s VAL 96 CO 0.02 0.50 0.92 0.00 0.00 0.00 0.00 175.10 176.54 2re3 s ALA 97 N 0.40 3.44 -0.66 5.51 0.00 0.13 -0.86 121.76 129.72 2re3 s ALA 97 Ca -0.17 -0.40 0.17 0.00 0.00 0.00 0.00 51.96 51.56 2re3 s ALA 97 Cb -0.17 -3.51 -0.20 0.00 0.00 0.00 0.00 23.12 19.24 2re3 s ALA 97 CO 0.07 -1.52 0.66 1.33 0.00 0.00 0.00 175.76 176.30 2re3 n VAL 98 N 5.88 0.00 -3.88 0.00 0.24 -0.31 -0.92 118.33 119.34 2re3 n VAL 98 Ca 0.07 -0.15 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 2re3 n VAL 98 Cb 0.48 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.59 2re3 n VAL 98 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2re3 s ASP 99 N -2.85 0.04 -0.01 -1.34 2.15 -1.13 -4.74 116.67 108.79 2re3 s ASP 99 Ca 0.04 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2re3 s ASP 99 Cb 0.13 0.21 0.01 0.00 -0.30 0.00 0.00 42.92 42.96 2re3 s ASP 99 CO 0.70 -0.40 -0.00 0.54 -0.17 0.00 0.00 175.17 175.84 2re3 s VAL 100 N -1.58 0.07 0.09 1.11 0.11 -1.26 -1.58 120.40 117.35 2re3 s VAL 100 Ca -0.13 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 2re3 s VAL 100 Cb -0.07 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2re3 s VAL 100 CO 0.01 0.05 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.08 2re3 s GLU 101 N 0.25 2.07 -0.07 1.54 0.41 0.57 -4.97 118.70 118.51 2re3 s GLU 101 Ca -0.02 -1.03 0.05 0.00 -0.41 0.00 0.00 54.97 53.55 2re3 s GLU 101 Cb -0.04 -2.26 -0.01 0.00 -1.78 0.00 0.00 34.13 30.04 2re3 s GLU 101 CO -0.01 0.51 -0.22 0.08 -0.49 0.00 0.00 175.26 175.14 2re3 s VAL 102 N -1.15 2.36 0.11 2.63 1.01 -1.26 -1.27 120.40 122.84 2re3 s VAL 102 Ca 0.19 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.27 2re3 s VAL 102 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2re3 s VAL 102 CO 0.11 0.57 -0.13 0.00 0.00 0.00 0.00 175.10 175.65 2re3 s ALA 103 N -0.19 1.38 0.13 5.51 0.00 -0.58 -4.98 121.76 123.03 2re3 s ALA 103 Ca -0.02 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2re3 s ALA 103 Cb -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2re3 s ALA 103 CO 0.03 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.29 2re3 n GLY 104 N 0.66 -2.31 3.66 0.00 0.00 -1.26 0.14 105.19 106.08 2re3 n GLY 104 Ca -0.16 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 2re3 n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2re3 s GLN 105 N -2.59 2.36 1.46 1.61 -1.52 -1.26 -4.54 119.66 115.19 2re3 s GLN 105 Ca 0.00 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 2re3 s GLN 105 Cb 0.00 -2.31 0.00 0.00 -0.22 0.00 0.00 33.01 30.48 2re3 s GLN 105 CO 0.00 0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.89 2re3 n GLY 106 N -0.26 2.64 0.08 3.09 0.00 -1.26 -1.33 105.19 108.15 2re3 n GLY 106 Ca -0.09 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2re3 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2re3 n ARG 107 N 14.00 0.15 -0.76 1.61 1.74 -1.26 -2.41 116.66 129.73 2re3 n ARG 107 Ca 0.00 0.25 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 2re3 n ARG 107 Cb 0.00 -1.72 0.36 0.00 -1.02 0.00 0.00 32.46 30.08 2re3 n ARG 107 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2re3 n LYS 108 N -1.99 4.30 -2.34 5.56 5.02 -0.44 -4.33 118.16 123.93 2re3 n LYS 108 Ca 0.04 -2.80 -0.33 0.00 -2.02 0.00 0.00 58.31 53.21 2re3 n LYS 108 Cb 0.31 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.18 2re3 n LYS 108 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2re3 s GLN 109 N -2.41 3.75 -0.10 1.97 -2.07 -1.01 -4.38 119.66 115.41 2re3 s GLN 109 Ca 0.49 1.10 0.01 0.00 -1.82 0.00 0.00 55.36 55.14 2re3 s GLN 109 Cb 0.36 -2.10 0.02 0.00 -1.09 0.00 0.00 33.01 30.20 2re3 s GLN 109 CO 0.16 -0.45 -0.10 0.08 -1.32 0.00 0.00 175.29 173.67 2re3 s VAL 110 N -2.44 1.14 -0.28 3.63 1.01 0.12 -1.19 120.40 122.39 2re3 s VAL 110 Ca 0.62 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2re3 s VAL 110 Cb -0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 2re3 s VAL 110 CO 0.30 0.37 0.19 -0.76 0.00 0.00 0.00 175.10 175.20 2re3 s LEU 111 N 1.27 4.02 -0.23 3.92 1.43 -1.26 -1.53 118.68 126.31 2re3 s LEU 111 Ca -0.03 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2re3 s LEU 111 Cb -0.14 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 2re3 s LEU 111 CO -0.04 -0.06 -0.04 -0.89 0.23 0.00 0.00 176.35 175.55 2re3 s THR 112 N 1.75 3.31 0.20 5.49 2.01 -0.39 -0.38 115.64 127.64 2re3 s THR 112 Ca 0.07 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.53 2re3 s THR 112 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2re3 s THR 112 CO 0.11 0.39 0.36 -0.36 -0.69 0.00 0.00 174.62 174.42 2re3 s PHE 113 N 1.46 3.48 -0.08 4.92 0.40 -0.19 -0.31 117.98 127.66 2re3 s PHE 113 Ca 0.05 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.58 2re3 s PHE 113 Cb -0.15 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2re3 s PHE 113 CO -0.03 0.42 -0.20 0.99 0.70 0.00 0.00 175.22 177.09 2re3 s THR 114 N -1.89 1.76 0.62 0.64 2.01 -0.62 -0.88 115.64 117.28 2re3 s THR 114 Ca 0.36 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 2re3 s THR 114 Cb -0.10 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.90 2re3 s THR 114 CO 0.29 0.49 0.92 0.42 -0.69 0.00 0.00 174.62 176.06 2re3 s THR 115 N 0.29 3.27 0.36 -0.82 -4.23 0.17 -1.16 115.64 113.52 2re3 s THR 115 Ca -0.13 -0.09 0.36 0.00 -1.18 0.00 0.00 61.69 60.65 2re3 s THR 115 Cb -0.16 -3.32 0.39 0.00 1.34 0.00 0.00 72.50 70.75 2re3 s THR 115 CO 0.06 -0.33 2.14 1.12 -0.54 0.00 0.00 174.62 177.07 2re3 h HIS 116 N -0.27 0.00 -0.30 3.99 2.07 -1.34 0.18 115.15 119.47 2re3 h HIS 116 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2re3 h HIS 116 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 2re3 h HIS 116 CO 0.43 0.03 0.00 1.33 -3.07 0.00 0.00 177.93 176.65 2re3 n VAL 117 N -3.19 0.40 -0.40 6.12 0.24 -1.26 -4.96 118.33 115.27 2re3 n VAL 117 Ca -0.01 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2re3 n VAL 117 Cb 0.21 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 2re3 n VAL 117 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2re3 n GLY 118 N 1.25 0.76 3.86 7.63 0.00 0.05 -4.87 105.19 113.86 2re3 n GLY 118 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2re3 n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2re3 s ASP 119 N -2.44 6.42 -0.03 1.61 1.01 -1.26 -4.76 116.67 117.23 2re3 s ASP 119 Ca 0.00 1.43 0.02 0.00 0.71 0.00 0.00 52.55 54.71 2re3 s ASP 119 Cb 0.00 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2re3 s ASP 119 CO 0.00 -0.69 -0.07 -0.55 0.21 0.00 0.00 175.17 174.07 2re3 s SER 120 N -3.62 4.66 -0.12 0.27 0.15 -1.26 -0.65 113.70 113.12 2re3 s SER 120 Ca 0.56 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 57.10 2re3 s SER 120 Cb -0.10 -1.13 0.05 0.00 -1.71 0.00 0.00 66.02 63.12 2re3 s SER 120 CO 0.42 0.32 0.07 0.00 1.20 0.00 0.00 173.24 175.25 2re3 s ALA 121 N -0.91 0.41 -0.23 5.45 0.00 -0.05 -4.98 121.76 121.45 2re3 s ALA 121 Ca 0.15 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 2re3 s ALA 121 Cb -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2re3 s ALA 121 CO 0.05 -0.86 0.96 0.08 0.00 0.00 0.00 175.76 175.98 2re3 s VAL 122 N 2.12 4.75 0.31 0.00 1.01 -1.26 -1.02 120.40 126.30 2re3 s VAL 122 Ca 0.03 1.85 -0.28 0.00 0.00 0.00 0.00 61.98 63.58 2re3 s VAL 122 Cb -0.14 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2re3 s VAL 122 CO -0.06 -0.13 1.10 0.00 0.00 0.00 0.00 175.10 176.00 2re3 s ALA 123 N 3.00 3.34 0.00 5.51 0.00 0.49 -4.47 121.76 129.62 2re3 s ALA 123 Ca 0.41 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2re3 s ALA 123 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2re3 s ALA 123 CO 0.07 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2re3 n GLY 124 N 1.01 -1.21 0.37 0.00 0.00 -0.87 -3.93 105.19 100.56 2re3 n GLY 124 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.07 2re3 n GLY 124 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2re3 h GLU 125 N 0.00 1.11 0.00 1.61 4.81 -1.85 -2.11 114.58 118.15 2re3 h GLU 125 Ca 0.00 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 2re3 h GLU 125 Cb 0.00 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2re3 h GLU 125 CO 0.00 0.73 -0.40 0.78 -0.73 0.00 0.00 179.01 179.39 2re3 h GLY 126 N 1.14 0.00 -6.42 1.92 0.00 -1.94 -3.34 103.07 94.43 2re3 h GLY 126 Ca 0.44 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.18 2re3 h GLY 126 CO -0.19 0.00 -0.82 0.70 0.00 0.00 0.00 176.54 176.22 2re3 n ASN 127 N -3.46 1.48 -4.80 0.19 3.02 -0.86 -5.00 115.26 105.83 2re3 n ASN 127 Ca 0.00 -2.89 -0.32 0.00 -0.03 0.00 0.00 54.58 51.34 2re3 n ASN 127 Cb 0.55 -0.65 0.05 0.00 -0.61 0.00 0.00 39.78 39.13 2re3 n ASN 127 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2re3 s PRO 128 N -1.18 2.82 -0.17 3.52 0.04 -0.85 -2.04 135.00 137.14 2re3 s PRO 128 Ca 0.33 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 2re3 s PRO 128 Cb 0.07 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2re3 s PRO 128 CO -0.13 -1.20 0.11 0.42 0.04 0.00 0.00 177.00 176.23 2re3 s ILE 129 N -2.80 5.19 0.00 0.56 1.01 -1.26 -1.90 121.20 122.00 2re3 s ILE 129 Ca 0.61 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2re3 s ILE 129 Cb -0.16 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2re3 s ILE 129 CO 0.50 0.50 0.00 -2.11 0.00 0.00 0.00 174.94 173.83 2re3 n ARG 130 N 3.10 1.47 0.00 2.79 1.85 -0.02 -4.81 116.66 121.04 2re3 n ARG 130 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2re3 n ARG 130 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2re3 n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2re3 n ALA 132 N -3.00 0.00 -2.04 2.89 0.00 -0.30 -1.63 120.51 116.42 2re3 n ALA 132 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2re3 n ALA 132 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2re3 n ALA 132 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2re3 s GLN 133 N -2.00 2.76 -0.08 0.00 -0.21 -1.26 0.12 119.66 118.99 2re3 s GLN 133 Ca 0.00 -0.07 -0.25 0.00 0.02 0.00 0.00 55.36 55.07 2re3 s GLN 133 Cb 0.00 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 2re3 s GLN 133 CO 0.00 -0.82 0.77 0.34 -2.12 0.00 0.00 175.29 173.47 2re3 s ASP 134 N -4.35 7.03 0.11 5.90 2.15 0.31 -4.42 116.67 123.41 2re3 s ASP 134 Ca 0.55 1.25 -0.25 0.00 0.43 0.00 0.00 52.55 54.54 2re3 s ASP 134 Cb -0.11 -2.45 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 2re3 s ASP 134 CO 0.45 -0.21 1.42 -0.65 -0.17 0.00 0.00 175.17 176.01 2re3 h PRO 135 N 6.92 -0.13 0.00 4.34 0.11 -1.96 -0.33 132.00 140.94 2re3 h PRO 135 Ca -0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2re3 h PRO 135 Cb 1.18 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2re3 h PRO 135 CO 0.77 -0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 2re3 n ALA 136 N -3.11 -0.01 0.26 -0.75 0.00 -1.26 -4.31 120.51 111.34 2re3 n ALA 136 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2re3 n ALA 136 Cb 0.23 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.39 2re3 n ALA 136 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2re3 h THR 137 N 0.00 0.81 0.00 0.00 1.35 -2.00 -3.45 112.91 109.62 2re3 h THR 137 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2re3 h THR 137 Cb 0.00 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2re3 h THR 137 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2re3 n GLY 138 N -1.22 0.24 3.75 5.82 0.00 -0.13 -4.92 105.19 108.73 2re3 n GLY 138 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2re3 n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2re3 s GLU 139 N -1.04 4.49 0.08 1.61 8.01 -1.26 -4.21 118.70 126.37 2re3 s GLU 139 Ca 0.00 1.98 -0.37 0.00 0.01 0.00 0.00 54.97 56.59 2re3 s GLU 139 Cb 0.00 -3.17 -0.17 0.00 -4.31 0.00 0.00 34.13 26.48 2re3 s GLU 139 CO 0.00 -0.04 1.21 -2.30 0.01 0.00 0.00 175.26 174.14 2re3 n PRO 140 N 1.57 0.79 -4.00 0.39 -0.02 -1.26 -0.53 135.00 131.94 2re3 n PRO 140 Ca 0.01 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 2re3 n PRO 140 Cb 0.44 -1.84 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 2re3 n PRO 140 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2re3 s ALA 141 N 0.19 2.66 0.03 3.55 0.00 0.33 -4.75 121.76 123.76 2re3 s ALA 141 Ca 0.84 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2re3 s ALA 141 Cb -1.03 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2re3 s ALA 141 CO 0.51 -1.12 0.24 -1.25 0.00 0.00 0.00 175.76 174.14 2re3 s PRO 142 N 1.20 3.51 0.06 0.00 0.04 -1.26 -1.15 135.00 137.39 2re3 s PRO 142 Ca -0.06 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 60.80 2re3 s PRO 142 Cb -0.19 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 2re3 s PRO 142 CO -0.04 0.63 -0.11 0.71 0.04 0.00 0.00 177.00 178.23 2re3 s TYR 143 N -1.39 0.96 0.02 0.56 1.51 -0.65 -0.57 117.35 117.79 2re3 s TYR 143 Ca 0.30 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 2re3 s TYR 143 Cb -0.13 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 2re3 s TYR 143 CO 0.20 -0.01 -0.17 0.54 -1.11 0.00 0.00 175.55 175.00 2re3 s VAL 144 N -1.36 1.34 0.01 0.71 0.11 -0.21 -0.84 120.40 120.17 2re3 s VAL 144 Ca -0.05 -0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 57.74 2re3 s VAL 144 Cb -0.10 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 2re3 s VAL 144 CO 0.01 0.19 1.07 -2.28 -3.33 0.00 0.00 175.10 170.77 2re3 s HIS 145 N -0.67 3.54 -0.23 1.54 2.46 -0.80 -0.47 115.29 120.66 2re3 s HIS 145 Ca 0.05 1.52 -0.16 0.00 0.47 0.00 0.00 55.06 56.94 2re3 s HIS 145 Cb -0.08 -3.25 -0.10 0.00 -0.13 0.00 0.00 32.58 29.02 2re3 s HIS 145 CO 0.01 -0.56 -0.28 0.28 -2.47 0.00 0.00 174.74 171.72 2re3 n VAL 146 N 4.01 1.51 -3.60 0.89 0.31 0.56 -4.69 118.33 117.33 2re3 n VAL 146 Ca 0.08 -0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.15 2re3 n VAL 146 Cb 0.49 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 2re3 n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2re3 s ARG 147 N -2.60 0.64 -1.57 5.55 1.70 -1.06 -4.92 118.95 116.69 2re3 s ARG 147 Ca -0.33 0.42 -0.09 0.00 -0.47 0.00 0.00 55.73 55.26 2re3 s ARG 147 Cb 0.10 0.30 0.08 0.00 -0.57 0.00 0.00 34.95 34.86 2re3 s ARG 147 CO 0.46 -0.15 0.55 0.00 -1.08 0.00 0.00 175.30 175.09 2re3 n ALA 148 N 1.52 -1.65 -0.90 7.88 0.00 -1.26 0.38 120.51 126.48 2re3 n ALA 148 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2re3 n ALA 148 Cb 0.57 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2re3 n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2re3 n GLY 149 N -1.76 0.59 3.67 0.00 0.00 -1.26 -4.52 105.19 101.91 2re3 n GLY 149 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2re3 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2re3 s LEU 150 N 0.00 4.18 0.35 0.99 1.43 0.16 -4.98 118.68 120.80 2re3 s LEU 150 Ca 0.00 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 2re3 s LEU 150 Cb 0.00 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2re3 s LEU 150 CO 0.00 -0.29 0.22 -1.61 0.23 0.00 0.00 176.35 174.90 2re3 s GLU 151 N 1.83 2.51 -0.16 1.70 2.02 -1.26 -0.32 118.70 125.00 2re3 s GLU 151 Ca 0.32 -1.47 0.01 0.00 0.02 0.00 0.00 54.97 53.85 2re3 s GLU 151 Cb -0.16 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.80 2re3 s GLU 151 CO 0.12 0.07 -0.18 0.00 0.02 0.00 0.00 175.26 175.28 2re3 s ALA 152 N -2.39 2.15 0.12 5.21 0.00 0.38 -2.42 121.76 124.80 2re3 s ALA 152 Ca 0.40 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.96 2re3 s ALA 152 Cb -0.03 -1.11 -0.10 0.00 0.00 0.00 0.00 23.12 21.88 2re3 s ALA 152 CO 0.24 -0.32 1.74 -1.17 0.00 0.00 0.00 175.76 176.25 2re3 s LEU 153 N 1.30 4.38 -0.15 0.00 2.96 -0.49 -1.04 118.68 125.64 2re3 s LEU 153 Ca 0.03 2.67 -0.29 0.00 -0.22 0.00 0.00 54.13 56.32 2re3 s LEU 153 Cb -0.13 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2re3 s LEU 153 CO -0.11 -0.95 1.14 -0.63 -1.32 0.00 0.00 176.35 174.49 2re3 s ILE 154 N 2.40 4.47 0.94 6.68 1.01 0.27 0.18 121.20 137.14 2re3 s ILE 154 Ca 0.77 1.77 -0.12 0.00 0.00 0.00 0.00 60.65 63.07 2re3 s ILE 154 Cb -0.44 -4.14 0.16 0.00 0.01 0.00 0.00 42.46 38.04 2re3 s ILE 154 CO 0.34 -0.09 1.09 1.51 0.00 0.00 0.00 174.94 177.79 2re3 s ASP 155 N 1.49 3.08 0.21 3.58 -4.77 -0.10 -4.70 116.67 115.46 2re3 s ASP 155 Ca 0.51 1.33 -0.07 0.00 -3.30 0.00 0.00 52.55 51.01 2re3 s ASP 155 Cb -0.20 -2.00 0.16 0.00 -1.09 0.00 0.00 42.92 39.79 2re3 s ASP 155 CO 0.15 -2.86 1.74 -0.09 0.70 0.00 0.00 175.17 174.80 2re3 h ARG 156 N -1.71 1.11 0.19 2.11 2.43 -1.94 -1.35 114.38 115.22 2re3 h ARG 156 Ca -0.52 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.39 2re3 h ARG 156 Cb 1.31 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2re3 h ARG 156 CO 0.56 0.97 -0.09 -0.22 -1.51 0.00 0.00 179.97 179.68 2re3 h LYS 157 N 1.06 -0.24 -0.75 0.20 3.64 -1.95 -2.36 116.57 116.17 2re3 h LYS 157 Ca 0.22 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 2re3 h LYS 157 Cb 0.35 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2re3 h LYS 157 CO -0.00 -0.05 0.49 0.77 -2.27 0.00 0.00 179.45 178.39 2re3 h SER 158 N -0.39 0.76 -0.54 4.20 0.02 -1.81 -2.09 113.55 113.70 2re3 h SER 158 Ca -0.03 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2re3 h SER 158 Cb 0.30 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2re3 h SER 158 CO 0.04 0.51 0.19 0.15 -1.14 0.00 0.00 176.83 176.59 2re3 h PHE 159 N 0.88 0.85 -0.56 3.45 3.57 -1.11 -1.08 116.94 122.95 2re3 h PHE 159 Ca 0.31 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2re3 h PHE 159 Cb 0.11 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2re3 h PHE 159 CO -0.00 0.71 0.15 1.88 -2.23 0.00 0.00 178.31 178.83 2re3 h TYR 160 N 0.75 0.87 -0.61 0.41 0.05 -0.85 -1.95 116.97 115.63 2re3 h TYR 160 Ca 0.18 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 2re3 h TYR 160 Cb 0.25 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 2re3 h TYR 160 CO 0.01 0.72 0.08 0.00 -1.05 0.00 0.00 178.16 177.92 2re3 h ARG 161 N 0.82 1.01 -2.14 4.88 3.08 -1.17 -3.25 114.38 117.61 2re3 h ARG 161 Ca 0.18 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2re3 h ARG 161 Cb 0.27 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2re3 h ARG 161 CO -0.00 0.94 0.06 1.28 -1.07 0.00 0.00 179.97 181.18 2re3 n LEU 162 N -4.21 0.67 0.00 3.04 4.77 -0.43 -3.60 117.00 117.23 2re3 n LEU 162 Ca 0.04 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2re3 n LEU 162 Cb 0.29 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2re3 n LEU 162 CO 0.43 0.07 0.00 0.47 -1.33 0.00 0.00 177.39 177.02 2re3 n ASP 164 N 2.10 0.00 -0.10 -1.43 8.00 -1.23 -2.12 116.55 121.77 2re3 n ASP 164 Ca 0.01 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.55 2re3 n ASP 164 Cb 0.07 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.23 2re3 n ASP 164 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2re3 n LEU 165 N 0.00 1.62 -4.89 0.64 4.77 -1.24 -5.08 117.00 112.82 2re3 n LEU 165 Ca 0.00 -2.08 -0.29 0.00 -0.03 0.00 0.00 56.01 53.61 2re3 n LEU 165 Cb 0.00 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2re3 n LEU 165 CO 0.00 0.49 0.80 -0.83 -1.33 0.00 0.00 177.39 176.53 2re3 s GLY 166 N -1.67 1.64 0.15 -0.72 0.00 -0.90 -4.65 107.32 101.17 2re3 s GLY 166 Ca 0.13 -0.79 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 2re3 s GLY 166 CO 0.01 -0.21 0.39 1.85 0.00 0.00 0.00 173.10 175.15 2re3 s GLU 167 N -5.63 1.16 -0.18 2.90 2.56 0.55 -4.96 118.70 115.10 2re3 s GLU 167 Ca 0.66 -0.88 -0.04 0.00 0.00 0.00 0.00 54.97 54.70 2re3 s GLU 167 Cb -0.09 0.45 -0.02 0.00 2.00 0.00 0.00 34.13 36.47 2re3 s GLU 167 CO 0.51 -0.46 -0.02 0.42 -0.56 0.00 0.00 175.26 175.15 2re3 s ILE 168 N -3.87 3.83 -0.05 -3.70 1.01 -1.26 0.04 121.20 117.21 2re3 s ILE 168 Ca 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 2re3 s ILE 168 Cb 0.02 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.80 2re3 s ILE 168 CO -0.07 0.45 -0.02 -1.61 0.00 0.00 0.00 174.94 173.70 2re3 s GLU 169 N 0.79 0.65 -1.27 2.79 0.41 -0.27 -4.96 118.70 116.84 2re3 s GLU 169 Ca -0.01 0.01 -0.11 0.00 -0.41 0.00 0.00 54.97 54.46 2re3 s GLU 169 Cb -0.14 -0.83 -0.00 0.00 -1.78 0.00 0.00 34.13 31.37 2re3 s GLU 169 CO 0.02 -0.18 0.62 -0.25 -0.49 0.00 0.00 175.26 174.98 2re3 n ASP 170 N 4.51 -2.81 0.00 -0.19 8.00 -1.26 -1.69 116.55 123.10 2re3 n ASP 170 Ca -0.18 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.31 2re3 n ASP 170 Cb 0.50 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 2re3 n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2re3 n GLY 171 N -1.82 2.24 3.45 0.44 0.00 -1.26 -5.03 105.19 103.21 2re3 n GLY 171 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2re3 n GLY 171 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2re3 s TRP 172 N -2.53 2.61 -0.03 1.61 0.52 -0.68 -0.38 118.94 120.06 2re3 s TRP 172 Ca 0.00 -0.22 -0.17 0.00 0.02 0.00 0.00 56.10 55.73 2re3 s TRP 172 Cb 0.00 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 2re3 s TRP 172 CO 0.00 0.18 0.46 0.12 0.02 0.00 0.00 176.95 177.73 2re3 s PHE 173 N -0.78 3.67 0.00 -1.98 5.36 -1.26 -1.12 117.98 121.88 2re3 s PHE 173 Ca 0.12 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 2re3 s PHE 173 Cb -0.10 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 2re3 s PHE 173 CO 0.02 0.46 0.00 0.41 -1.46 0.00 0.00 175.22 174.65 2re3 n GLY 174 N 2.33 1.86 3.00 13.12 0.00 0.11 -0.75 105.19 124.85 2re3 n GLY 174 Ca -0.11 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2re3 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2re3 s LEU 175 N 0.00 1.71 0.04 0.99 1.43 -0.39 -0.33 118.68 122.13 2re3 s LEU 175 Ca 0.00 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 2re3 s LEU 175 Cb 0.00 -0.60 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 2re3 s LEU 175 CO 0.00 0.05 0.66 0.26 0.23 0.00 0.00 176.35 177.55 2re3 s TRP 176 N 0.36 3.75 -0.20 0.29 0.52 -1.26 -0.54 118.94 121.86 2re3 s TRP 176 Ca -0.06 1.34 -0.11 0.00 0.02 0.00 0.00 56.10 57.29 2re3 s TRP 176 Cb -0.11 -2.67 0.06 0.00 -1.15 0.00 0.00 33.47 29.61 2re3 s TRP 176 CO 0.01 0.39 0.48 0.45 0.02 0.00 0.00 176.95 178.30 2re3 s SER 177 N -0.43 -0.62 -1.46 2.95 0.15 -0.08 -4.68 113.70 109.53 2re3 s SER 177 Ca 0.33 1.04 -0.12 0.00 0.70 0.00 0.00 55.95 57.90 2re3 s SER 177 Cb -0.20 0.92 0.05 0.00 -1.71 0.00 0.00 66.02 65.08 2re3 s SER 177 CO 0.20 -0.20 1.06 -1.20 1.20 0.00 0.00 173.24 174.30 2re3 n SER 178 N 4.27 -5.54 0.00 5.45 7.64 -0.33 -1.11 113.62 123.99 2re3 n SER 178 Ca -0.23 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2re3 n SER 178 Cb 0.56 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 2re3 n SER 178 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2re3 n GLY 179 N -1.83 0.55 3.46 0.23 0.00 -1.26 -4.75 105.19 101.59 2re3 n GLY 179 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2re3 n GLY 179 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2re3 s SER 180 N -2.37 3.66 -0.21 1.61 0.01 -0.27 -5.07 113.70 111.06 2re3 s SER 180 Ca 0.00 -0.70 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 2re3 s SER 180 Cb 0.00 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 2re3 s SER 180 CO 0.00 0.15 0.00 0.12 0.41 0.00 0.00 173.24 173.92 2re3 s PHE 181 N -1.35 3.02 -0.44 2.43 5.36 -1.26 -0.90 117.98 124.85 2re3 s PHE 181 Ca 0.19 -0.57 -0.08 0.00 -0.96 0.00 0.00 56.93 55.51 2re3 s PHE 181 Cb -0.09 -2.11 0.10 0.00 -0.34 0.00 0.00 43.02 40.57 2re3 s PHE 181 CO 0.10 -0.33 0.28 -0.06 -1.46 0.00 0.00 175.22 173.74 2re3 s PHE 182 N 1.21 3.41 0.37 10.12 0.08 0.30 -4.95 117.98 128.52 2re3 s PHE 182 Ca 0.03 -1.82 -0.27 0.00 0.12 0.00 0.00 56.93 54.99 2re3 s PHE 182 Cb -0.15 -3.21 -0.09 0.00 -0.57 0.00 0.00 43.02 39.00 2re3 s PHE 182 CO 0.01 -0.93 1.28 -2.14 -0.10 0.00 0.00 175.22 173.34 2re3 s PRO 183 N 1.35 4.19 -0.02 0.24 0.02 -1.26 -1.26 135.00 138.25 2re3 s PRO 183 Ca 0.05 2.13 0.06 0.00 0.02 0.00 0.00 61.00 63.26 2re3 s PRO 183 Cb -0.24 -2.91 -0.10 0.00 0.02 0.00 0.00 34.50 31.27 2re3 s PRO 183 CO -0.00 -0.30 0.12 1.28 -0.33 0.00 0.00 177.00 177.77 2re3 n LEU 184 N 0.47 0.00 -4.89 -5.54 4.77 0.07 -4.88 117.00 107.00 2re3 n LEU 184 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 2re3 n LEU 184 Cb 0.43 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2re3 n LEU 184 CO 0.57 0.03 0.23 0.42 -1.33 0.00 0.00 177.39 177.30 2re3 s THR 186 N -2.40 4.98 0.23 -5.08 -4.23 -1.26 -4.91 115.64 102.97 2re3 s THR 186 Ca -0.03 0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.64 2re3 s THR 186 Cb 0.04 -3.70 0.21 0.00 1.34 0.00 0.00 72.50 70.39 2re3 s THR 186 CO 0.27 -0.26 1.69 0.58 -0.54 0.00 0.00 174.62 176.35 2re3 h VAL 187 N 1.52 0.54 -0.18 2.29 2.07 -1.02 -0.38 116.25 121.09 2re3 h VAL 187 Ca -0.47 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2re3 h VAL 187 Cb 1.18 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 2re3 h VAL 187 CO 0.67 0.05 -0.18 -0.08 0.02 0.00 0.00 177.57 178.04 2re3 h GLU 188 N 0.25 -0.19 -0.72 1.57 4.81 -1.99 -0.25 114.58 118.05 2re3 h GLU 188 Ca 0.38 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2re3 h GLU 188 Cb 0.62 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 2re3 h GLU 188 CO -0.48 -0.13 0.47 0.93 -0.73 0.00 0.00 179.01 179.07 2re3 h GLU 189 N -0.20 0.96 -0.25 1.92 5.08 -1.63 -2.11 114.58 118.35 2re3 h GLU 189 Ca 0.12 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2re3 h GLU 189 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2re3 h GLU 189 CO -0.30 0.64 0.06 1.25 -1.00 0.00 0.00 179.01 179.66 2re3 h LEU 190 N 0.98 0.39 -1.43 1.33 5.85 -0.66 -2.53 115.31 119.24 2re3 h LEU 190 Ca 0.26 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2re3 h LEU 190 Cb -0.10 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2re3 h LEU 190 CO -0.06 0.52 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.02 2re3 h GLU 191 N 0.23 0.00 -0.02 1.25 4.39 -0.49 -3.15 114.58 116.79 2re3 h GLU 191 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2re3 h GLU 191 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2re3 h GLU 191 CO 0.00 0.21 -0.11 2.89 -1.16 0.00 0.00 179.01 180.85 2re3 n ARG 192 N -3.55 1.56 -0.55 2.33 1.85 -0.84 -5.10 116.66 112.36 2re3 n ARG 192 Ca -0.01 -1.37 0.00 0.00 -1.00 0.00 0.00 57.85 55.47 2re3 n ARG 192 Cb 0.36 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 2re3 n ARG 192 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03