#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 3.34 -3.61 -0.43 0.00 -1.26 -4.97 120.51 113.58 2re3 n ALA 11 Ca 0.00 -3.02 -0.28 0.00 0.00 0.00 0.00 53.44 50.14 2re3 n ALA 11 Cb 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.97 2.38 0.17 0.00 1.11 -1.26 -5.15 116.67 110.94 2re3 s ASP 12 Ca 0.37 -0.41 0.00 0.00 0.18 0.00 0.00 52.55 52.69 2re3 s ASP 12 Cb 0.38 -1.06 0.00 0.00 1.07 0.00 0.00 42.92 43.30 2re3 s ASP 12 CO -0.08 0.02 0.00 0.61 1.18 0.00 0.00 175.17 176.90 2re3 n GLY 13 N 4.13 0.91 0.39 0.21 0.00 -1.26 -4.79 105.19 104.77 2re3 n GLY 13 Ca -0.19 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.89 -0.86 0.99 5.85 -2.01 -1.59 115.31 116.79 2re3 h LEU 14 Ca 0.00 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2re3 h LEU 14 Cb 0.00 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2re3 h LEU 14 CO 0.00 -0.58 0.08 -0.07 -0.34 0.00 0.00 178.44 177.53 2re3 h LEU 15 N -0.94 0.89 -0.62 2.25 4.07 -1.99 -1.60 115.31 117.36 2re3 h LEU 15 Ca -0.09 -0.20 -0.06 0.00 0.08 0.00 0.00 57.88 57.61 2re3 h LEU 15 Cb 0.74 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 2re3 h LEU 15 CO 0.12 0.90 0.14 0.00 -1.08 0.00 0.00 178.44 178.52 2re3 h ALA 16 N 1.21 0.82 -0.57 1.53 0.00 -1.94 -1.82 119.26 118.50 2re3 h ALA 16 Ca 0.18 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2re3 h ALA 16 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2re3 h ALA 16 CO 0.01 0.54 0.07 0.77 0.00 0.00 0.00 179.25 180.65 2re3 h SER 17 N 0.92 0.92 -0.22 0.00 0.02 -0.95 -2.06 113.55 112.18 2re3 h SER 17 Ca 0.20 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2re3 h SER 17 Cb 0.37 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2re3 h SER 17 CO 0.00 0.96 0.11 0.00 -1.14 0.00 0.00 176.83 176.76 2re3 h ALA 18 N 0.99 1.70 0.00 3.77 0.00 -1.09 -2.21 119.26 122.43 2re3 h ALA 18 Ca 0.17 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2re3 h ALA 18 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2re3 h ALA 18 CO 0.01 0.24 -0.63 0.00 0.00 0.00 0.00 179.25 178.88 2re3 h ARG 19 N 0.36 0.00 0.00 0.00 3.08 -0.68 -3.07 114.38 114.07 2re3 h ARG 19 Ca 0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2re3 h ARG 19 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2re3 h ARG 19 CO -0.01 0.63 -0.39 0.00 -1.07 0.00 0.00 179.97 179.13 2re3 h ALA 20 N 1.37 0.98 -2.43 0.04 0.00 -0.77 -3.44 119.26 115.01 2re3 h ALA 20 Ca -0.01 -0.35 -0.50 0.00 0.00 0.00 0.00 54.91 54.05 2re3 h ALA 20 Cb 1.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2re3 h ALA 20 CO 0.08 0.49 0.17 0.42 0.00 0.00 0.00 179.25 180.41 2re3 s ILE 21 N -3.59 4.51 -0.33 0.00 1.01 -1.07 -5.05 121.20 116.69 2re3 s ILE 21 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.00 2re3 s ILE 21 Cb 0.11 -3.81 0.15 0.00 0.01 0.00 0.00 42.46 38.92 2re3 s ILE 21 CO 0.69 0.06 0.38 -1.59 0.00 0.00 0.00 174.94 174.48 2re3 s LYS 22 N -2.31 0.50 -0.03 2.79 -2.85 -1.26 -4.97 119.74 111.60 2re3 s LYS 22 Ca 0.48 -0.36 0.02 0.00 -1.00 0.00 0.00 55.97 55.11 2re3 s LYS 22 Cb -0.15 -0.55 0.01 0.00 -2.06 0.00 0.00 37.83 35.08 2re3 s LYS 22 CO 0.20 -1.11 -0.08 -1.12 0.10 0.00 0.00 175.35 173.34 2re3 s SER 23 N 2.01 1.17 0.00 0.03 0.01 -1.26 -5.00 113.70 110.66 2re3 s SER 23 Ca 0.13 -0.18 0.24 0.00 1.31 0.00 0.00 55.95 57.45 2re3 s SER 23 Cb -0.13 -0.37 0.74 0.00 0.21 0.00 0.00 66.02 66.47 2re3 s SER 23 CO -0.19 0.04 1.56 0.29 0.41 0.00 0.00 173.24 175.35 2re3 n LYS 24 N 3.45 1.89 -3.68 12.44 5.02 -1.26 -5.02 118.16 131.00 2re3 n LYS 24 Ca -0.20 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 2re3 n LYS 24 Cb 0.54 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 1.22 -1.97 3.70 0.72 0.00 -1.26 -5.12 105.19 102.48 2re3 n GLY 25 Ca 0.17 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2re3 n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2re3 s PRO 26 N -1.76 4.18 0.44 1.61 0.04 -1.26 -4.86 135.00 133.38 2re3 s PRO 26 Ca 0.00 2.44 -0.15 0.00 0.04 0.00 0.00 61.00 63.33 2re3 s PRO 26 Cb 0.00 -3.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.05 2re3 s PRO 26 CO 0.00 -0.73 0.87 0.00 0.04 0.00 0.00 177.00 177.18 2re3 s ALA 27 N 2.08 3.19 -1.48 8.56 0.00 -0.33 -4.94 121.76 128.84 2re3 s ALA 27 Ca 0.75 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 2re3 s ALA 27 Cb -0.44 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 19.76 2re3 s ALA 27 CO 0.33 -0.01 2.52 -0.35 0.00 0.00 0.00 175.76 178.25 2re3 n PRO 28 N -1.14 3.67 0.27 0.00 -0.04 -1.26 -4.75 135.00 131.76 2re3 n PRO 28 Ca 0.05 -2.74 0.18 0.00 -0.04 0.00 0.00 63.50 60.95 2re3 n PRO 28 Cb 0.54 -2.90 0.88 0.00 -0.04 0.00 0.00 33.50 31.97 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 3.26 0.00 -0.04 0.52 -1.51 -1.90 -0.71 116.25 115.86 2re3 h VAL 29 Ca 0.70 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.97 2re3 h VAL 29 Cb 0.42 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2re3 h VAL 29 CO 1.73 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 179.48 2re3 n HIS 30 N -2.88 0.05 0.46 5.19 8.25 -1.26 -2.18 115.22 122.84 2re3 n HIS 30 Ca -0.01 -0.03 0.13 0.00 -0.26 0.00 0.00 57.72 57.55 2re3 n HIS 30 Cb 0.16 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.56 2re3 n HIS 30 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2re3 h LEU 31 N 0.94 0.00 -8.91 2.41 3.38 -1.53 -3.47 115.31 108.13 2re3 h LEU 31 Ca 0.00 -0.02 -0.66 0.00 0.09 0.00 0.00 57.88 57.29 2re3 h LEU 31 Cb 0.20 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.74 2re3 h LEU 31 CO 0.00 0.01 -0.69 0.26 0.09 0.00 0.00 178.44 178.11 2re3 s TRP 32 N -3.16 2.95 -0.41 1.13 0.51 -0.93 -5.03 118.94 114.01 2re3 s TRP 32 Ca 0.08 -0.23 0.11 0.00 -2.12 0.00 0.00 56.10 53.94 2re3 s TRP 32 Cb 0.10 -1.84 0.38 0.00 -0.81 0.00 0.00 33.47 31.30 2re3 s TRP 32 CO 0.64 0.08 0.86 -1.71 -0.51 0.00 0.00 176.95 176.31 2re3 n ASN 33 N 3.02 2.11 -4.76 2.95 5.15 -1.26 -5.02 115.26 117.45 2re3 n ASN 33 Ca -0.18 -3.15 -0.30 0.00 -0.60 0.00 0.00 54.58 50.35 2re3 n ASN 33 Cb 0.53 -0.57 0.11 0.00 -0.53 0.00 0.00 39.78 39.32 2re3 n ASN 33 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2re3 s PRO 34 N -2.91 1.73 0.49 1.20 0.04 -1.26 -4.98 135.00 129.30 2re3 s PRO 34 Ca 0.40 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 2re3 s PRO 34 Cb 0.36 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.96 2re3 s PRO 34 CO -0.08 -1.91 1.03 -1.25 0.04 0.00 0.00 177.00 174.83 2re3 s PRO 35 N -5.02 3.79 -0.13 0.56 0.04 -1.26 -4.69 135.00 128.30 2re3 s PRO 35 Ca 0.62 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 2re3 s PRO 35 Cb -0.16 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2re3 s PRO 35 CO 0.56 -0.43 1.58 0.12 0.04 0.00 0.00 177.00 178.87 2re3 s PHE 36 N -2.09 2.15 -0.81 0.56 5.36 -1.26 -3.50 117.98 118.38 2re3 s PHE 36 Ca 0.66 0.45 0.14 0.00 -0.96 0.00 0.00 56.93 57.21 2re3 s PHE 36 Cb -0.15 -3.87 0.67 0.00 -0.34 0.00 0.00 43.02 39.33 2re3 s PHE 36 CO 0.22 -3.20 1.55 0.09 -1.46 0.00 0.00 175.22 172.42 2re3 n ASN 37 N 7.55 4.64 0.00 6.13 4.13 0.26 -4.97 115.26 133.00 2re3 n ASN 37 Ca 0.17 -2.58 0.00 0.00 1.68 0.00 0.00 54.58 53.85 2re3 n ASN 37 Cb 0.44 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 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 0.81 1.76 3.82 7.41 0.00 -1.26 -4.97 105.19 112.77 2re3 n GLY 38 Ca 0.23 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 6.95 0.30 1.61 1.01 -1.26 -1.26 116.67 124.01 2re3 s ASP 39 Ca 0.00 1.14 0.06 0.00 0.71 0.00 0.00 52.55 54.46 2re3 s ASP 39 Cb 0.00 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2re3 s ASP 39 CO 0.00 0.26 0.35 0.27 0.21 0.00 0.00 175.17 176.26 2re3 s ILE 40 N -1.17 4.32 -0.36 0.77 -4.36 -0.61 -4.87 121.20 114.93 2re3 s ILE 40 Ca 0.29 -1.15 -0.26 0.00 -0.26 0.00 0.00 60.65 59.27 2re3 s ILE 40 Cb -0.18 -3.47 0.01 0.00 1.25 0.00 0.00 42.46 40.07 2re3 s ILE 40 CO 0.17 -0.24 0.92 -0.62 0.24 0.00 0.00 174.94 175.41 2re3 s ASP 41 N -4.03 6.69 0.00 4.36 -1.08 -1.26 -4.73 116.67 116.62 2re3 s ASP 41 Ca 0.39 0.61 0.00 0.00 -0.52 0.00 0.00 52.55 53.03 2re3 s ASP 41 Cb -0.08 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2re3 s ASP 41 CO 0.28 -0.83 0.00 -1.14 0.52 0.00 0.00 175.17 174.00 2re3 n ARG 43 N 6.71 0.00 -3.08 4.34 0.63 -0.72 -1.22 116.66 123.31 2re3 n ARG 43 Ca 0.07 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.57 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 4.77 0.84 5.15 1.01 -0.39 -0.25 121.20 132.33 2re3 s ILE 44 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 2re3 s ILE 44 Cb 0.00 -4.32 0.10 0.00 0.01 0.00 0.00 42.46 38.25 2re3 s ILE 44 CO 0.00 -0.82 1.12 0.00 0.00 0.00 0.00 174.94 175.24 2re3 s ALA 45 N 2.93 1.89 0.53 9.38 0.00 0.13 -2.12 121.76 134.50 2re3 s ALA 45 Ca 0.20 0.42 0.33 0.00 0.00 0.00 0.00 51.96 52.90 2re3 s ALA 45 Cb -0.17 -3.36 1.49 0.00 0.00 0.00 0.00 23.12 21.08 2re3 s ALA 45 CO 0.15 -2.24 1.86 -0.09 0.00 0.00 0.00 175.76 175.44 2re3 h ARG 46 N -1.48 0.02 -0.19 0.00 2.43 -1.88 0.43 114.38 113.72 2re3 h ARG 46 Ca -0.43 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2re3 h ARG 46 Cb 1.25 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2re3 h ARG 46 CO 0.47 0.01 0.00 -0.40 -1.51 0.00 0.00 179.97 178.54 2re3 n ASP 47 N -4.25 1.84 0.00 -3.80 5.75 -1.26 -4.86 116.55 109.97 2re3 n ASP 47 Ca 0.21 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 2re3 n ASP 47 Cb 1.05 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 41.02 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 1.16 0.35 3.72 6.12 0.00 0.14 -4.90 105.19 111.79 2re3 n GLY 48 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.12 4.24 -0.07 2.61 2.01 -1.26 -4.74 115.64 116.31 2re3 s THR 49 Ca 0.00 1.76 -0.15 0.00 0.31 0.00 0.00 61.69 63.62 2re3 s THR 49 Cb 0.00 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2re3 s THR 49 CO 0.00 0.22 0.38 0.26 -0.69 0.00 0.00 174.62 174.80 2re3 s TRP 50 N 0.37 3.61 -0.06 4.92 0.52 -1.26 0.18 118.94 127.22 2re3 s TRP 50 Ca 0.52 0.85 0.06 0.00 0.02 0.00 0.00 56.10 57.54 2re3 s TRP 50 Cb -0.26 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 29.70 2re3 s TRP 50 CO 0.31 0.45 -0.23 -0.06 0.02 0.00 0.00 176.95 177.44 2re3 s PHE 51 N -0.33 2.49 -0.15 -1.98 0.40 0.65 -1.44 117.98 117.63 2re3 s PHE 51 Ca 0.22 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2re3 s PHE 51 Cb -0.15 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.79 2re3 s PHE 51 CO 0.10 -0.12 -0.16 -0.47 0.70 0.00 0.00 175.22 175.26 2re3 s TYR 52 N -0.29 2.31 -1.20 0.36 5.04 0.62 -1.76 117.35 122.44 2re3 s TYR 52 Ca 0.01 -1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 53.34 2re3 s TYR 52 Cb -0.13 -1.66 0.01 0.00 0.35 0.00 0.00 41.96 40.54 2re3 s TYR 52 CO 0.03 -0.66 0.13 1.04 -1.34 0.00 0.00 175.55 174.75 2re3 n GLN 53 N 4.57 -2.59 -0.45 4.97 6.02 -0.36 -1.35 117.38 128.18 2re3 n GLN 53 Ca -0.18 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2re3 n GLN 53 Cb 0.50 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 26.48 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 -0.94 1.10 3.46 1.08 0.00 -1.26 -5.04 105.19 103.58 2re3 n GLY 54 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.07 3.60 0.71 2.61 2.01 -0.46 -5.04 115.64 116.01 2re3 s THR 55 Ca 0.00 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 2re3 s THR 55 Cb 0.00 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.99 2re3 s THR 55 CO 0.00 0.51 1.13 -2.16 -0.69 0.00 0.00 174.62 173.41 2re3 s PRO 56 N 0.26 2.43 -0.35 4.92 0.04 -1.26 -0.28 135.00 140.76 2re3 s PRO 56 Ca -0.05 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.36 2re3 s PRO 56 Cb -0.14 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.54 2re3 s PRO 56 CO 0.04 -1.55 0.14 0.42 0.04 0.00 0.00 177.00 176.09 2re3 s ILE 57 N -2.38 3.95 -1.07 0.56 1.01 -0.52 -4.84 121.20 117.92 2re3 s ILE 57 Ca 0.68 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 2re3 s ILE 57 Cb -0.22 -3.26 0.30 0.00 0.01 0.00 0.00 42.46 39.29 2re3 s ILE 57 CO 0.46 -0.23 1.33 -3.20 0.00 0.00 0.00 174.94 173.30 2re3 n ASN 58 N 4.85 6.00 -3.29 3.58 5.15 -1.26 -4.65 115.26 125.64 2re3 n ASN 58 Ca -0.12 -3.30 -0.08 0.00 -0.60 0.00 0.00 54.58 50.48 2re3 n ASN 58 Cb 0.45 -1.27 -0.05 0.00 -0.53 0.00 0.00 39.78 38.38 2re3 n ASN 58 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2re3 s ARG 59 N -2.32 0.68 0.43 1.20 3.52 -1.26 -5.06 118.95 116.14 2re3 s ARG 59 Ca 0.31 -0.45 0.13 0.00 -0.13 0.00 0.00 55.73 55.59 2re3 s ARG 59 Cb 0.01 -0.32 1.01 0.00 -1.56 0.00 0.00 34.95 34.09 2re3 s ARG 59 CO 0.04 -1.17 2.00 -1.35 -0.81 0.00 0.00 175.30 174.01 2re3 h PRO 60 N 7.22 0.40 0.00 5.12 0.11 -2.00 -2.64 132.00 140.21 2re3 h PRO 60 Ca 0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2re3 h PRO 60 Cb 1.12 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2re3 h PRO 60 CO 0.17 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 2re3 n ALA 61 N -2.51 0.90 0.00 -0.75 0.00 -1.26 -0.88 120.51 116.01 2re3 n ALA 61 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2re3 n ALA 61 Cb 0.32 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.02 0.00 -0.10 0.00 0.31 -0.99 -1.73 118.33 115.79 2re3 n VAL 63 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2re3 n VAL 63 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.87 0.16 5.55 3.08 -1.30 -1.53 114.38 121.21 2re3 h ARG 64 Ca 0.00 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 2re3 h ARG 64 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2re3 h ARG 64 CO 0.00 1.07 -0.08 1.25 -1.07 0.00 0.00 179.97 181.15 2re3 h LEU 65 N 0.72 -0.18 -1.08 3.04 5.85 -1.60 -1.30 115.31 120.77 2re3 h LEU 65 Ca 0.07 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2re3 h LEU 65 Cb 0.91 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2re3 h LEU 65 CO 0.08 0.04 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.67 2re3 h PHE 66 N -0.40 0.31 0.00 1.25 0.04 -1.84 -2.55 116.94 113.75 2re3 h PHE 66 Ca -0.02 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.61 2re3 h PHE 66 Cb 0.32 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2re3 h PHE 66 CO -0.01 0.55 -0.33 0.77 -0.60 0.00 0.00 178.31 178.69 2re3 h SER 67 N 0.25 0.00 0.16 2.17 0.02 -1.00 -2.15 113.55 113.00 2re3 h SER 67 Ca 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2re3 h SER 67 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2re3 h SER 67 CO 0.05 0.33 -0.01 0.77 -1.14 0.00 0.00 176.83 176.83 2re3 h SER 68 N 0.00 0.00 -0.23 3.07 4.64 -0.79 -2.78 113.55 117.46 2re3 h SER 68 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2re3 h SER 68 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2re3 h SER 68 CO 0.04 0.01 -0.02 2.30 -0.87 0.00 0.00 176.83 178.29 2re3 n ILE 69 N -3.22 2.27 -2.30 0.95 -5.35 -0.81 -1.19 119.36 109.71 2re3 n ILE 69 Ca -0.02 -2.12 -0.41 0.00 -0.27 0.00 0.00 62.75 59.93 2re3 n ILE 69 Cb 0.11 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 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 -2.92 4.46 -0.01 7.28 1.43 -1.05 -1.09 118.68 126.78 2re3 s LEU 70 Ca 0.41 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 2re3 s LEU 70 Cb 0.34 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.95 2re3 s LEU 70 CO 0.06 -0.39 -0.00 -0.75 0.23 0.00 0.00 176.35 175.50 2re3 s LYS 71 N -0.89 0.13 -0.19 1.70 2.20 -0.39 -4.90 119.74 117.39 2re3 s LYS 71 Ca 0.51 0.03 -0.09 0.00 -0.36 0.00 0.00 55.97 56.05 2re3 s LYS 71 Cb -0.35 -0.23 -0.05 0.00 -1.51 0.00 0.00 37.83 35.70 2re3 s LYS 71 CO 0.42 -0.05 0.11 0.50 -0.36 0.00 0.00 175.35 175.98 2re3 s ARG 72 N 0.44 4.08 -0.08 4.03 3.52 -1.26 -0.83 118.95 128.86 2re3 s ARG 72 Ca -0.04 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.34 2re3 s ARG 72 Cb -0.06 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.99 2re3 s ARG 72 CO -0.01 0.33 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.46 2re3 s GLU 73 N 0.26 1.91 4.01 5.12 2.02 -0.68 -4.99 118.70 126.34 2re3 s GLU 73 Ca 0.07 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2re3 s GLU 73 Cb -0.11 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.54 2re3 s GLU 73 CO -0.01 0.03 0.00 0.39 0.02 0.00 0.00 175.26 175.69 2re3 n GLU 74 N 3.86 0.00 -0.56 1.61 1.02 -1.26 -0.81 120.64 124.49 2re3 n GLU 74 Ca -0.22 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.95 2re3 n GLU 74 Cb 0.52 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 32.14 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 5.92 2.42 -4.60 1.62 9.92 -1.26 -5.02 116.55 125.55 2re3 n ASP 75 Ca 0.00 -3.59 -0.26 0.00 -0.53 0.00 0.00 54.79 50.41 2re3 n ASP 75 Cb 0.00 -0.56 -0.10 0.00 -0.64 0.00 0.00 41.12 39.82 2re3 n ASP 75 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2re3 s ARG 76 N -3.12 1.94 0.01 -1.24 0.52 0.01 -5.10 118.95 111.97 2re3 s ARG 76 Ca 0.40 -1.97 0.05 0.00 -0.52 0.00 0.00 55.73 53.69 2re3 s ARG 76 Cb 0.36 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.09 2re3 s ARG 76 CO -0.00 0.05 -0.17 -0.06 0.02 0.00 0.00 175.30 175.13 2re3 s PHE 77 N -2.63 1.51 0.13 -0.53 0.40 -1.26 -1.69 117.98 113.90 2re3 s PHE 77 Ca 0.34 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.40 2re3 s PHE 77 Cb 0.05 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 2re3 s PHE 77 CO 0.18 0.01 -0.09 0.71 0.70 0.00 0.00 175.22 176.73 2re3 s TYR 78 N -0.55 1.14 -0.20 0.36 1.51 -0.01 -1.32 117.35 118.28 2re3 s TYR 78 Ca 0.06 -0.81 -0.06 0.00 -1.01 0.00 0.00 57.07 55.25 2re3 s TYR 78 Cb -0.07 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.15 2re3 s TYR 78 CO 0.00 0.00 0.02 -0.51 -1.11 0.00 0.00 175.55 173.95 2re3 s LEU 79 N -3.13 3.33 -0.07 -1.29 1.43 0.27 -1.27 118.68 117.97 2re3 s LEU 79 Ca 0.15 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2re3 s LEU 79 Cb 0.04 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2re3 s LEU 79 CO -0.01 0.06 -0.09 -0.69 0.23 0.00 0.00 176.35 175.85 2re3 s VAL 80 N 1.02 0.93 0.50 -1.59 1.01 -0.25 -1.34 120.40 120.68 2re3 s VAL 80 Ca 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2re3 s VAL 80 Cb -0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2re3 s VAL 80 CO 0.02 0.32 0.15 0.42 0.00 0.00 0.00 175.10 176.01 2re3 s THR 81 N 0.94 1.56 0.64 3.92 -4.23 0.13 -4.81 115.64 113.80 2re3 s THR 81 Ca -0.10 -1.80 0.39 0.00 -1.18 0.00 0.00 61.69 59.01 2re3 s THR 81 Cb -0.15 -2.36 0.41 0.00 1.34 0.00 0.00 72.50 71.75 2re3 s THR 81 CO 0.01 0.00 2.33 -0.65 -0.54 0.00 0.00 174.62 175.76 2re3 h PRO 82 N 1.21 0.00 0.00 3.99 0.11 -1.97 -3.20 132.00 132.14 2re3 h PRO 82 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2re3 h PRO 82 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2re3 h PRO 82 CO 0.69 0.00 -1.48 1.33 -0.21 0.00 0.00 178.00 178.33 2re3 n VAL 83 N -3.36 0.08 -3.96 3.15 0.24 -1.26 -4.52 118.33 108.71 2re3 n VAL 83 Ca -0.03 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.91 2re3 n VAL 83 Cb 0.08 0.13 -0.12 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.63 0.22 -0.07 7.34 2.12 -1.21 -4.49 118.70 119.98 2re3 s GLU 84 Ca -0.04 -0.37 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 2re3 s GLU 84 Cb 0.06 -0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.47 2re3 s GLU 84 CO 0.41 -0.01 -0.03 0.21 -0.54 0.00 0.00 175.26 175.30 2re3 s LYS 85 N -0.84 0.83 0.04 4.30 2.20 -1.23 -0.69 119.74 124.35 2re3 s LYS 85 Ca -0.08 -0.03 0.08 0.00 -0.36 0.00 0.00 55.97 55.58 2re3 s LYS 85 Cb -0.06 -1.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.22 2re3 s LYS 85 CO -0.00 -0.21 -0.22 0.14 -0.36 0.00 0.00 175.35 174.69 2re3 s VAL 86 N 1.54 1.81 0.11 4.02 -7.23 -0.45 -0.57 120.40 119.62 2re3 s VAL 86 Ca -0.01 -1.24 -0.28 0.00 -1.81 0.00 0.00 61.98 58.64 2re3 s VAL 86 Cb -0.13 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 2re3 s VAL 86 CO -0.04 0.27 0.87 -0.83 -0.31 0.00 0.00 175.10 175.07 2re3 s GLY 87 N -1.15 2.93 0.34 2.32 0.00 -0.39 -0.56 107.32 110.81 2re3 s GLY 87 Ca 0.09 0.46 0.09 0.00 0.00 0.00 0.00 44.72 45.35 2re3 s GLY 87 CO 0.02 1.25 -0.08 -0.26 0.00 0.00 0.00 173.10 174.02 2re3 s ILE 88 N -0.25 2.10 -0.16 0.90 -4.36 -0.43 -1.57 121.20 117.43 2re3 s ILE 88 Ca 0.42 -2.17 -0.08 0.00 -0.26 0.00 0.00 60.65 58.56 2re3 s ILE 88 Cb -0.23 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 2re3 s ILE 88 CO 0.27 -0.20 0.11 -0.13 0.24 0.00 0.00 174.94 175.23 2re3 s ARG 89 N -3.64 3.80 -0.12 0.37 0.52 -1.26 -4.33 118.95 114.28 2re3 s ARG 89 Ca 0.32 -0.22 -0.00 0.00 -0.52 0.00 0.00 55.73 55.31 2re3 s ARG 89 Cb 0.03 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.27 2re3 s ARG 89 CO 0.16 0.50 -0.10 0.08 0.02 0.00 0.00 175.30 175.96 2re3 s VAL 90 N -0.23 1.17 0.07 3.52 1.01 -1.26 -1.26 120.40 123.42 2re3 s VAL 90 Ca 0.10 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2re3 s VAL 90 Cb -0.12 -1.15 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 2re3 s VAL 90 CO 0.01 0.39 1.47 0.44 0.00 0.00 0.00 175.10 177.41 2re3 h ASP 91 N 8.05 0.41 0.00 3.32 3.32 -1.75 -3.46 116.42 126.32 2re3 h ASP 91 Ca -0.32 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.38 2re3 h ASP 91 Cb 1.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2re3 h ASP 91 CO 0.44 0.67 0.00 -0.67 -1.72 0.00 0.00 179.24 177.96 2re3 n ASP 92 N -4.62 0.00 -4.71 6.45 -0.08 -1.26 -4.96 116.55 107.37 2re3 n ASP 92 Ca -0.04 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.96 2re3 n ASP 92 Cb 0.27 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.66 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 -2.00 3.35 0.12 -1.67 0.00 -1.26 -5.00 121.76 115.30 2re3 s ALA 93 Ca 0.00 -1.21 0.34 0.00 0.00 0.00 0.00 51.96 51.08 2re3 s ALA 93 Cb 0.00 -1.19 1.58 0.00 0.00 0.00 0.00 23.12 23.51 2re3 s ALA 93 CO 0.00 0.59 2.01 -1.00 0.00 0.00 0.00 175.76 177.35 2re3 h PRO 94 N 2.93 0.00 -4.88 0.00 0.13 -1.93 -3.45 132.00 124.80 2re3 h PRO 94 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 2re3 h PRO 94 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 2re3 h PRO 94 CO 0.60 0.00 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.60 2re3 s PHE 95 N -3.73 1.04 -0.13 1.56 0.08 -1.07 -4.96 117.98 110.78 2re3 s PHE 95 Ca -0.00 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.30 2re3 s PHE 95 Cb 0.10 -0.57 -0.01 0.00 -0.57 0.00 0.00 43.02 41.97 2re3 s PHE 95 CO 0.43 -0.03 -0.16 0.08 -0.10 0.00 0.00 175.22 175.44 2re3 s VAL 96 N -2.96 2.73 -0.28 -0.44 1.01 -1.26 -0.54 120.40 118.66 2re3 s VAL 96 Ca 0.09 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2re3 s VAL 96 Cb 0.01 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2re3 s VAL 96 CO -0.01 0.53 1.11 0.00 0.00 0.00 0.00 175.10 176.73 2re3 s ALA 97 N 0.42 3.55 -1.01 5.51 0.00 0.53 -0.64 121.76 130.12 2re3 s ALA 97 Ca -0.12 0.07 0.14 0.00 0.00 0.00 0.00 51.96 52.04 2re3 s ALA 97 Cb -0.16 -3.65 -0.07 0.00 0.00 0.00 0.00 23.12 19.24 2re3 s ALA 97 CO 0.06 -1.38 0.69 1.33 0.00 0.00 0.00 175.76 176.46 2re3 n VAL 98 N 5.72 0.00 -3.78 0.00 0.24 0.17 -2.05 118.33 118.64 2re3 n VAL 98 Ca 0.12 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 2re3 n VAL 98 Cb 0.47 1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 33.83 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 -1.99 -0.19 -0.01 -1.34 2.15 -0.94 -4.73 116.67 109.62 2re3 s ASP 99 Ca 0.09 0.18 0.01 0.00 0.43 0.00 0.00 52.55 53.26 2re3 s ASP 99 Cb 0.11 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 2re3 s ASP 99 CO 0.45 -0.35 -0.02 0.54 -0.17 0.00 0.00 175.17 175.62 2re3 s VAL 100 N -0.96 0.21 -0.03 1.11 0.11 -1.26 -1.31 120.40 118.28 2re3 s VAL 100 Ca -0.10 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 2re3 s VAL 100 Cb -0.05 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 2re3 s VAL 100 CO 0.03 0.08 -0.18 -0.70 -3.33 0.00 0.00 175.10 170.99 2re3 s GLU 101 N 0.13 1.66 -0.01 1.54 2.56 0.24 -4.98 118.70 119.84 2re3 s GLU 101 Ca -0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 54.97 54.29 2re3 s GLU 101 Cb -0.03 -1.52 -0.04 0.00 2.00 0.00 0.00 34.13 34.54 2re3 s GLU 101 CO -0.00 0.33 0.13 0.08 -0.56 0.00 0.00 175.26 175.24 2re3 s VAL 102 N -0.23 5.09 0.07 3.70 1.01 -1.26 -0.95 120.40 127.83 2re3 s VAL 102 Ca 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2re3 s VAL 102 Cb -0.09 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2re3 s VAL 102 CO 0.01 0.35 -0.08 0.00 0.00 0.00 0.00 175.10 175.37 2re3 s ALA 103 N -1.25 0.81 0.00 5.51 0.00 -0.32 -4.98 121.76 121.53 2re3 s ALA 103 Ca 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2re3 s ALA 103 Cb -0.12 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2re3 s ALA 103 CO 0.16 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2re3 n GLY 104 N 0.92 -1.43 2.98 0.00 0.00 -1.26 -0.73 105.19 105.66 2re3 n GLY 104 Ca -0.19 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 2re3 n GLY 104 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2re3 s GLN 105 N -0.04 0.39 5.51 1.61 2.00 -1.26 -4.68 119.66 123.18 2re3 s GLN 105 Ca 0.00 -0.34 0.00 0.00 -2.00 0.00 0.00 55.36 53.02 2re3 s GLN 105 Cb 0.00 -0.29 0.00 0.00 0.80 0.00 0.00 33.01 33.52 2re3 s GLN 105 CO 0.00 0.07 0.00 0.41 -0.50 0.00 0.00 175.29 175.27 2re3 n GLY 106 N 2.49 3.69 0.03 2.59 0.00 -1.26 -1.16 105.19 111.57 2re3 n GLY 106 Ca -0.16 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 0.11 -0.07 1.61 1.74 -1.26 -3.14 116.66 129.64 2re3 n ARG 107 Ca 0.00 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 2re3 n ARG 107 Cb 0.00 -1.60 0.38 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.77 1.83 -2.24 5.56 5.02 -0.31 -4.35 118.16 121.90 2re3 n LYS 108 Ca 0.06 -1.24 -0.35 0.00 -2.02 0.00 0.00 58.31 54.76 2re3 n LYS 108 Cb 0.38 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.82 3.33 -0.08 1.97 -2.07 -1.12 -4.48 119.66 115.39 2re3 s GLN 109 Ca 0.34 1.61 0.03 0.00 -1.82 0.00 0.00 55.36 55.52 2re3 s GLN 109 Cb 0.19 -2.00 0.01 0.00 -1.09 0.00 0.00 33.01 30.12 2re3 s GLN 109 CO 0.29 -0.87 -0.17 0.08 -1.32 0.00 0.00 175.29 173.29 2re3 s VAL 110 N -1.78 1.54 -0.28 3.63 1.01 0.09 -1.36 120.40 123.26 2re3 s VAL 110 Ca 0.73 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2re3 s VAL 110 Cb -0.24 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2re3 s VAL 110 CO 0.28 0.45 0.06 -0.76 0.00 0.00 0.00 175.10 175.12 2re3 s LEU 111 N 0.52 3.69 -0.25 3.92 1.43 -1.26 -1.18 118.68 125.56 2re3 s LEU 111 Ca -0.16 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 2re3 s LEU 111 Cb -0.17 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2re3 s LEU 111 CO 0.06 -0.16 0.07 -0.89 0.23 0.00 0.00 176.35 175.66 2re3 s THR 112 N 1.50 4.25 0.00 5.49 2.01 -0.12 -0.06 115.64 128.72 2re3 s THR 112 Ca 0.03 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 2re3 s THR 112 Cb -0.17 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2re3 s THR 112 CO 0.02 0.33 0.20 -0.36 -0.69 0.00 0.00 174.62 174.11 2re3 s PHE 113 N 1.60 3.55 -0.07 4.92 0.40 -0.25 -0.59 117.98 127.53 2re3 s PHE 113 Ca 0.06 0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.80 2re3 s PHE 113 Cb -0.15 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 2re3 s PHE 113 CO 0.03 0.63 -0.23 0.99 0.70 0.00 0.00 175.22 177.35 2re3 s THR 114 N -1.36 2.25 0.57 0.64 2.01 -0.42 -0.25 115.64 119.09 2re3 s THR 114 Ca 0.29 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.31 2re3 s THR 114 Cb -0.13 -1.84 0.04 0.00 0.01 0.00 0.00 72.50 70.58 2re3 s THR 114 CO 0.20 0.57 0.81 0.42 -0.69 0.00 0.00 174.62 175.93 2re3 s THR 115 N -0.10 2.59 -1.24 -0.82 -4.23 0.04 -0.65 115.64 111.23 2re3 s THR 115 Ca -0.05 -0.64 0.16 0.00 -1.18 0.00 0.00 61.69 59.99 2re3 s THR 115 Cb -0.14 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 70.96 2re3 s THR 115 CO 0.04 0.00 1.50 0.00 -0.54 0.00 0.00 174.62 175.62 2re3 n HIS 116 N -2.42 0.00 -0.43 3.99 1.44 0.19 -1.51 115.22 116.48 2re3 n HIS 116 Ca 0.09 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.86 2re3 n HIS 116 Cb 0.60 -0.38 0.19 0.00 0.12 0.00 0.00 29.99 30.52 2re3 n HIS 116 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 2re3 n VAL 117 N -1.38 1.40 -0.26 0.61 0.24 -1.26 -4.97 118.33 112.70 2re3 n VAL 117 Ca 0.06 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 2re3 n VAL 117 Cb 0.16 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.22 0.72 3.84 7.63 0.00 -0.57 -4.92 105.19 112.11 2re3 n GLY 118 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.93 6.61 -0.09 1.61 1.01 -1.26 -4.77 116.67 116.85 2re3 s ASP 119 Ca 0.00 1.59 0.01 0.00 0.71 0.00 0.00 52.55 54.86 2re3 s ASP 119 Cb 0.00 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2re3 s ASP 119 CO 0.00 -0.60 -0.12 -0.55 0.21 0.00 0.00 175.17 174.11 2re3 s SER 120 N -3.00 4.16 -0.08 0.27 0.15 -1.26 -0.78 113.70 113.16 2re3 s SER 120 Ca 0.59 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 2re3 s SER 120 Cb -0.10 -1.26 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 2re3 s SER 120 CO 0.30 0.26 -0.01 0.00 1.20 0.00 0.00 173.24 175.00 2re3 s ALA 121 N -0.23 0.82 -0.34 5.45 0.00 0.66 -4.97 121.76 123.15 2re3 s ALA 121 Ca 0.01 -0.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 2re3 s ALA 121 Cb -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2re3 s ALA 121 CO 0.03 -0.48 1.02 0.08 0.00 0.00 0.00 175.76 176.41 2re3 s VAL 122 N 1.92 4.54 0.28 0.00 1.01 -1.26 -1.09 120.40 125.80 2re3 s VAL 122 Ca 0.05 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 2re3 s VAL 122 Cb -0.12 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 31.77 2re3 s VAL 122 CO -0.06 -0.50 1.34 0.00 0.00 0.00 0.00 175.10 175.89 2re3 s ALA 123 N 3.59 3.54 0.00 5.51 0.00 0.91 -4.39 121.76 130.92 2re3 s ALA 123 Ca 0.43 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2re3 s ALA 123 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2re3 s ALA 123 CO 0.17 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2re3 n GLY 124 N 1.47 -1.25 0.32 0.00 0.00 -0.70 -3.91 105.19 101.12 2re3 n GLY 124 Ca 0.03 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 45.04 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 0.96 -0.18 1.61 4.81 -1.87 -1.40 114.58 118.51 2re3 h GLU 125 Ca 0.00 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2re3 h GLU 125 Cb 0.00 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2re3 h GLU 125 CO 0.00 0.63 -0.19 0.78 -0.73 0.00 0.00 179.01 179.50 2re3 h GLY 126 N 0.99 0.33 -6.68 1.92 0.00 -1.94 -3.33 103.07 94.36 2re3 h GLY 126 Ca 0.37 -0.23 -0.60 0.00 0.00 0.00 0.00 47.33 46.87 2re3 h GLY 126 CO -0.17 0.21 -0.75 0.70 0.00 0.00 0.00 176.54 176.54 2re3 n ASN 127 N -4.20 1.72 -4.81 0.19 3.02 -0.62 -4.99 115.26 105.57 2re3 n ASN 127 Ca -0.01 -2.92 -0.32 0.00 -0.03 0.00 0.00 54.58 51.31 2re3 n ASN 127 Cb 0.33 -0.67 0.01 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.03 3.32 -0.05 3.52 0.04 -0.63 -1.73 135.00 138.44 2re3 s PRO 128 Ca 0.30 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 2re3 s PRO 128 Cb 0.02 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2re3 s PRO 128 CO -0.16 -0.80 0.53 0.42 0.04 0.00 0.00 177.00 177.03 2re3 s ILE 129 N -2.60 5.04 0.00 0.56 1.01 -1.26 -1.96 121.20 121.99 2re3 s ILE 129 Ca 0.62 1.09 0.00 0.00 0.00 0.00 0.00 60.65 62.35 2re3 s ILE 129 Cb -0.15 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.46 2re3 s ILE 129 CO 0.40 0.40 0.00 -1.14 0.00 0.00 0.00 174.94 174.60 2re3 n ARG 130 N 3.01 3.50 0.00 2.79 0.63 -0.30 -4.84 116.66 121.45 2re3 n ARG 130 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2re3 n ARG 130 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 2re3 n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2re3 n ALA 132 N -3.00 0.00 -2.61 5.13 0.00 -1.03 -1.82 120.51 117.19 2re3 n ALA 132 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2re3 n ALA 132 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 2.16 0.09 0.00 1.11 -1.26 -0.29 119.66 119.47 2re3 s GLN 133 Ca 0.00 -1.46 -0.31 0.00 0.01 0.00 0.00 55.36 53.60 2re3 s GLN 133 Cb 0.00 -2.09 -0.09 0.00 -1.01 0.00 0.00 33.01 29.82 2re3 s GLN 133 CO 0.00 0.37 1.67 0.34 0.01 0.00 0.00 175.29 177.67 2re3 s ASP 134 N -3.55 6.58 0.10 5.90 2.15 0.49 -4.58 116.67 123.75 2re3 s ASP 134 Ca 0.30 2.54 -0.25 0.00 0.43 0.00 0.00 52.55 55.57 2re3 s ASP 134 Cb -0.06 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.90 2re3 s ASP 134 CO 0.19 -0.89 1.41 -0.65 -0.17 0.00 0.00 175.17 175.05 2re3 h PRO 135 N 8.16 -0.32 0.00 4.34 0.10 -1.96 -1.20 132.00 141.12 2re3 h PRO 135 Ca -0.43 0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.69 2re3 h PRO 135 Cb 1.20 0.07 0.00 0.00 0.10 0.00 0.00 31.00 32.38 2re3 h PRO 135 CO 0.93 -0.21 0.00 0.00 0.10 0.00 0.00 178.00 178.82 2re3 n ALA 136 N -2.97 0.00 -0.11 -0.75 0.00 -1.26 -3.84 120.51 111.58 2re3 n ALA 136 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2re3 n ALA 136 Cb 0.26 0.05 0.48 0.00 0.00 0.00 0.00 19.45 20.24 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 0.90 0.00 0.00 1.35 -1.97 -3.45 112.91 109.73 2re3 h THR 137 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2re3 h THR 137 Cb 0.00 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 2re3 h THR 137 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2re3 n GLY 138 N -1.51 1.83 3.78 5.82 0.00 -0.45 -4.95 105.19 109.71 2re3 n GLY 138 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2re3 n GLY 138 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2re3 s GLU 139 N -0.04 4.16 -0.37 1.61 1.03 -1.26 -4.36 118.70 119.47 2re3 s GLU 139 Ca 0.00 1.48 -0.44 0.00 0.03 0.00 0.00 54.97 56.04 2re3 s GLU 139 Cb 0.00 -2.52 -0.19 0.00 -0.80 0.00 0.00 34.13 30.63 2re3 s GLU 139 CO 0.00 -0.14 1.57 -2.30 -1.33 0.00 0.00 175.26 173.07 2re3 n PRO 140 N -0.11 0.34 -3.90 -4.83 -0.02 -1.26 0.18 135.00 125.41 2re3 n PRO 140 Ca 0.05 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.35 2re3 n PRO 140 Cb 0.50 -1.68 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.73 2.36 0.19 3.55 0.00 0.60 -4.69 121.76 126.49 2re3 s ALA 141 Ca 1.01 -2.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.70 2re3 s ALA 141 Cb -1.34 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 2re3 s ALA 141 CO 0.74 -1.70 0.44 -1.25 0.00 0.00 0.00 175.76 173.99 2re3 s PRO 142 N 1.14 3.65 0.32 0.00 0.04 -1.26 -2.47 135.00 136.43 2re3 s PRO 142 Ca 0.11 -0.03 0.10 0.00 0.04 0.00 0.00 61.00 61.22 2re3 s PRO 142 Cb -0.19 -2.78 -0.06 0.00 0.04 0.00 0.00 34.50 31.52 2re3 s PRO 142 CO -0.14 0.39 -0.09 0.71 0.04 0.00 0.00 177.00 177.91 2re3 s TYR 143 N -1.77 2.43 -0.01 0.56 1.51 -0.75 -1.54 117.35 117.77 2re3 s TYR 143 Ca 0.42 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 2re3 s TYR 143 Cb -0.12 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.43 2re3 s TYR 143 CO 0.25 0.60 -0.08 0.54 -1.11 0.00 0.00 175.55 175.74 2re3 s VAL 144 N -2.55 0.68 0.18 0.71 0.11 0.08 -1.15 120.40 118.46 2re3 s VAL 144 Ca 0.32 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 2re3 s VAL 144 Cb -0.01 -0.59 -0.08 0.00 -1.53 0.00 0.00 36.38 34.18 2re3 s VAL 144 CO 0.17 0.20 1.19 -2.28 -3.33 0.00 0.00 175.10 171.05 2re3 s HIS 145 N -0.06 3.44 -0.13 1.54 2.46 -0.83 -0.19 115.29 121.53 2re3 s HIS 145 Ca 0.01 1.43 -0.11 0.00 0.47 0.00 0.00 55.06 56.85 2re3 s HIS 145 Cb -0.05 -3.42 -0.06 0.00 -0.13 0.00 0.00 32.58 28.92 2re3 s HIS 145 CO -0.00 -1.18 -0.24 0.28 -2.47 0.00 0.00 174.74 171.13 2re3 n VAL 146 N 2.58 1.28 -3.58 0.89 0.31 -0.33 -4.70 118.33 114.78 2re3 n VAL 146 Ca 0.05 0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 2re3 n VAL 146 Cb 0.45 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.34 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 -2.52 0.75 -1.39 5.55 1.70 -1.06 -4.92 118.95 117.05 2re3 s ARG 147 Ca -0.23 0.41 -0.13 0.00 -0.47 0.00 0.00 55.73 55.32 2re3 s ARG 147 Cb 0.06 0.36 0.10 0.00 -0.57 0.00 0.00 34.95 34.90 2re3 s ARG 147 CO 0.31 -0.19 0.59 0.00 -1.08 0.00 0.00 175.30 174.94 2re3 n ALA 148 N 1.40 -1.13 -0.65 7.88 0.00 -1.26 0.13 120.51 126.89 2re3 n ALA 148 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2re3 n ALA 148 Cb 0.57 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 -1.23 1.08 3.66 0.00 0.00 -1.26 -4.52 105.19 102.92 2re3 n GLY 149 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.13 0.19 0.99 1.43 0.34 -4.99 118.68 120.77 2re3 s LEU 150 Ca 0.00 1.00 0.07 0.00 -1.03 0.00 0.00 54.13 54.17 2re3 s LEU 150 Cb 0.00 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2re3 s LEU 150 CO 0.00 -0.39 0.07 -1.61 0.23 0.00 0.00 176.35 174.65 2re3 s GLU 151 N 2.30 2.62 -0.17 1.70 2.02 -1.26 -1.19 118.70 124.71 2re3 s GLU 151 Ca 0.34 -1.05 -0.05 0.00 0.02 0.00 0.00 54.97 54.23 2re3 s GLU 151 Cb -0.16 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 2re3 s GLU 151 CO 0.10 0.45 -0.00 0.00 0.02 0.00 0.00 175.26 175.83 2re3 s ALA 152 N -1.84 3.10 0.01 5.21 0.00 0.74 -2.60 121.76 126.39 2re3 s ALA 152 Ca 0.30 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2re3 s ALA 152 Cb -0.09 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 2re3 s ALA 152 CO 0.21 0.11 1.22 -1.17 0.00 0.00 0.00 175.76 176.13 2re3 s LEU 153 N 0.53 4.33 -0.19 0.00 2.96 0.30 -0.74 118.68 125.86 2re3 s LEU 153 Ca -0.01 1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 55.56 2re3 s LEU 153 Cb -0.14 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2re3 s LEU 153 CO 0.02 -0.53 1.06 -0.63 -1.32 0.00 0.00 176.35 174.95 2re3 s ILE 154 N 1.58 4.65 0.86 6.68 1.01 -0.59 -0.35 121.20 135.04 2re3 s ILE 154 Ca 0.58 1.97 -0.12 0.00 0.00 0.00 0.00 60.65 63.08 2re3 s ILE 154 Cb -0.28 -4.27 0.11 0.00 0.01 0.00 0.00 42.46 38.03 2re3 s ILE 154 CO 0.26 -0.12 1.13 1.51 0.00 0.00 0.00 174.94 177.72 2re3 s ASP 155 N 1.27 3.92 0.12 3.58 -4.77 -0.87 -4.71 116.67 115.20 2re3 s ASP 155 Ca 0.47 1.06 -0.24 0.00 -3.30 0.00 0.00 52.55 50.53 2re3 s ASP 155 Cb -0.17 -1.68 -0.07 0.00 -1.09 0.00 0.00 42.92 39.92 2re3 s ASP 155 CO 0.10 -2.30 1.67 0.03 0.70 0.00 0.00 175.17 175.38 2re3 h ARG 156 N -1.32 -0.24 -0.21 2.11 2.47 -1.96 0.20 114.38 115.43 2re3 h ARG 156 Ca -0.49 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.30 2re3 h ARG 156 Cb 1.31 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.63 2re3 h ARG 156 CO 0.62 -0.16 -0.13 -0.22 0.56 0.00 0.00 179.97 180.63 2re3 h LYS 157 N -0.25 -0.12 -0.51 0.04 3.64 -1.95 0.25 116.57 117.67 2re3 h LYS 157 Ca 0.05 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2re3 h LYS 157 Cb 0.32 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2re3 h LYS 157 CO -0.15 -0.08 0.00 0.77 -2.27 0.00 0.00 179.45 177.73 2re3 h SER 158 N -0.12 0.82 -0.43 4.20 0.02 -1.76 -2.67 113.55 113.61 2re3 h SER 158 Ca 0.12 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2re3 h SER 158 Cb 0.30 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2re3 h SER 158 CO -0.28 0.88 0.27 0.15 -1.14 0.00 0.00 176.83 176.71 2re3 h PHE 159 N 0.79 0.56 -0.09 3.45 3.57 0.32 -1.01 116.94 124.54 2re3 h PHE 159 Ca 0.15 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 2re3 h PHE 159 Cb 0.47 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2re3 h PHE 159 CO 0.03 0.39 -0.48 1.88 -2.23 0.00 0.00 178.31 177.89 2re3 h TYR 160 N 0.58 0.27 -0.26 0.41 0.05 -0.86 -1.82 116.97 115.33 2re3 h TYR 160 Ca 0.16 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 2re3 h TYR 160 Cb -0.02 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2re3 h TYR 160 CO -0.04 0.66 -0.18 0.00 -1.05 0.00 0.00 178.16 177.55 2re3 h ARG 161 N 0.18 0.47 -2.23 4.88 3.08 -1.21 -3.22 114.38 116.33 2re3 h ARG 161 Ca 0.01 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2re3 h ARG 161 Cb 0.92 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2re3 h ARG 161 CO 0.07 0.64 0.06 1.28 -1.07 0.00 0.00 179.97 180.95 2re3 n LEU 162 N -4.17 2.08 0.00 3.04 4.77 -0.41 -3.54 117.00 118.78 2re3 n LEU 162 Ca 0.00 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2re3 n LEU 162 Cb 0.36 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2re3 n LEU 162 CO 0.41 0.38 0.00 0.47 -1.33 0.00 0.00 177.39 177.32 2re3 n ASP 164 N 2.18 0.00 -0.04 -1.43 8.00 -1.22 -2.17 116.55 121.86 2re3 n ASP 164 Ca 0.06 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.61 2re3 n ASP 164 Cb 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.42 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 2.08 -4.92 0.64 4.77 -1.23 -5.06 117.00 113.27 2re3 n LEU 165 Ca 0.00 -2.45 -0.27 0.00 -0.03 0.00 0.00 56.01 53.26 2re3 n LEU 165 Cb 0.00 -0.20 0.08 0.00 -2.33 0.00 0.00 43.42 40.97 2re3 n LEU 165 CO 0.00 0.58 0.67 -0.83 -1.33 0.00 0.00 177.39 176.49 2re3 s GLY 166 N -1.87 1.67 0.10 -0.72 0.00 -0.92 -4.69 107.32 100.89 2re3 s GLY 166 Ca 0.15 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.81 2re3 s GLY 166 CO 0.01 -0.45 0.38 1.85 0.00 0.00 0.00 173.10 174.90 2re3 s GLU 167 N -5.37 1.01 -0.18 2.90 2.56 0.53 -4.95 118.70 115.20 2re3 s GLU 167 Ca 0.62 -0.67 -0.04 0.00 0.00 0.00 0.00 54.97 54.88 2re3 s GLU 167 Cb -0.10 0.44 -0.02 0.00 2.00 0.00 0.00 34.13 36.45 2re3 s GLU 167 CO 0.46 -0.38 -0.03 0.42 -0.56 0.00 0.00 175.26 175.18 2re3 s ILE 168 N -3.54 3.83 -0.04 -3.70 1.01 -1.26 -0.28 121.20 117.22 2re3 s ILE 168 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2re3 s ILE 168 Cb 0.02 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.81 2re3 s ILE 168 CO -0.10 0.46 0.02 -1.61 0.00 0.00 0.00 174.94 173.71 2re3 s GLU 169 N 0.72 0.28 -1.45 2.79 0.41 -0.70 -4.94 118.70 115.80 2re3 s GLU 169 Ca -0.01 0.17 -0.01 0.00 -0.41 0.00 0.00 54.97 54.71 2re3 s GLU 169 Cb -0.14 -0.62 0.00 0.00 -1.78 0.00 0.00 34.13 31.58 2re3 s GLU 169 CO 0.02 -0.24 0.27 -0.25 -0.49 0.00 0.00 175.26 174.58 2re3 n ASP 170 N 4.74 0.01 0.00 -0.19 8.00 -1.26 -2.13 116.55 125.72 2re3 n ASP 170 Ca -0.15 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2re3 n ASP 170 Cb 0.50 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 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 -2.20 0.32 3.23 0.44 0.00 -1.26 -5.04 105.19 100.67 2re3 n GLY 171 Ca -0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.09 2.00 -0.01 1.61 0.52 -0.91 -0.90 118.94 119.16 2re3 s TRP 172 Ca 0.00 -0.44 -0.21 0.00 0.02 0.00 0.00 56.10 55.47 2re3 s TRP 172 Cb 0.00 -1.30 -0.05 0.00 -1.15 0.00 0.00 33.47 30.97 2re3 s TRP 172 CO 0.00 -0.08 0.62 0.12 0.02 0.00 0.00 176.95 177.64 2re3 s PHE 173 N -0.39 3.67 0.00 -1.98 5.36 -1.26 -1.72 117.98 121.67 2re3 s PHE 173 Ca 0.05 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 2re3 s PHE 173 Cb -0.10 -2.66 0.00 0.00 -0.34 0.00 0.00 43.02 39.93 2re3 s PHE 173 CO 0.00 0.31 0.00 0.41 -1.46 0.00 0.00 175.22 174.48 2re3 n GLY 174 N 2.54 1.84 3.07 13.12 0.00 0.62 -1.03 105.19 125.34 2re3 n GLY 174 Ca -0.06 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 1.74 -0.10 0.99 1.43 -0.35 -0.35 118.68 122.03 2re3 s LEU 175 Ca 0.00 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.48 2re3 s LEU 175 Cb 0.00 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2re3 s LEU 175 CO 0.00 0.05 0.76 0.26 0.23 0.00 0.00 176.35 177.65 2re3 s TRP 176 N 0.70 3.52 -0.04 0.29 0.52 -1.26 -0.45 118.94 122.21 2re3 s TRP 176 Ca -0.13 1.27 -0.03 0.00 0.02 0.00 0.00 56.10 57.23 2re3 s TRP 176 Cb -0.16 -2.90 0.02 0.00 -1.15 0.00 0.00 33.47 29.27 2re3 s TRP 176 CO 0.03 -0.05 0.10 0.45 0.02 0.00 0.00 176.95 177.50 2re3 s SER 177 N 0.97 -0.09 -1.36 2.95 0.15 -0.36 -4.62 113.70 111.33 2re3 s SER 177 Ca 0.38 0.20 -0.06 0.00 0.70 0.00 0.00 55.95 57.18 2re3 s SER 177 Cb -0.17 0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 2re3 s SER 177 CO 0.17 -0.06 0.45 -1.20 1.20 0.00 0.00 173.24 173.79 2re3 n SER 178 N 3.36 -4.65 0.00 5.45 7.64 -0.46 -1.30 113.62 123.66 2re3 n SER 178 Ca -0.16 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.45 2re3 n SER 178 Cb 0.57 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 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 -1.24 0.82 3.39 0.23 0.00 -1.26 -4.80 105.19 102.32 2re3 n GLY 179 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.66 3.25 -0.16 1.61 0.01 -0.42 -5.09 113.70 110.25 2re3 s SER 180 Ca 0.00 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.45 2re3 s SER 180 Cb 0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 2re3 s SER 180 CO 0.00 0.13 -0.11 0.12 0.41 0.00 0.00 173.24 173.79 2re3 s PHE 181 N -1.40 2.86 -0.34 2.43 5.36 -1.26 -1.23 117.98 124.41 2re3 s PHE 181 Ca 0.16 -0.79 -0.02 0.00 -0.96 0.00 0.00 56.93 55.32 2re3 s PHE 181 Cb -0.09 -1.93 0.07 0.00 -0.34 0.00 0.00 43.02 40.73 2re3 s PHE 181 CO 0.07 -0.35 0.07 -0.06 -1.46 0.00 0.00 175.22 173.50 2re3 s PHE 182 N 0.75 3.38 0.43 10.12 0.08 0.40 -4.96 117.98 128.20 2re3 s PHE 182 Ca -0.05 -2.04 -0.25 0.00 0.12 0.00 0.00 56.93 54.72 2re3 s PHE 182 Cb -0.15 -2.49 -0.08 0.00 -0.57 0.00 0.00 43.02 39.73 2re3 s PHE 182 CO 0.01 -0.85 1.24 -2.14 -0.10 0.00 0.00 175.22 173.39 2re3 s PRO 183 N 1.22 3.84 0.00 0.24 0.02 -1.26 -1.21 135.00 137.84 2re3 s PRO 183 Ca -0.00 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.02 2re3 s PRO 183 Cb -0.21 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.72 2re3 s PRO 183 CO -0.02 -0.55 0.00 1.28 -0.33 0.00 0.00 177.00 177.38 2re3 n LEU 184 N -0.17 0.00 -4.90 -5.54 4.77 -0.20 -4.87 117.00 106.09 2re3 n LEU 184 Ca 0.05 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 2re3 n LEU 184 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2re3 n LEU 184 CO 0.52 0.00 0.42 0.42 -1.33 0.00 0.00 177.39 177.43 2re3 s THR 186 N -1.89 4.89 0.15 -5.08 -4.23 -1.26 -4.87 115.64 103.36 2re3 s THR 186 Ca 0.00 0.28 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 2re3 s THR 186 Cb 0.00 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.05 2re3 s THR 186 CO 0.00 -0.73 1.70 0.58 -0.54 0.00 0.00 174.62 175.63 2re3 h VAL 187 N 0.51 0.74 -0.52 2.29 2.07 -1.34 -0.80 116.25 119.21 2re3 h VAL 187 Ca -0.47 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.10 2re3 h VAL 187 Cb 1.20 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2re3 h VAL 187 CO 0.62 0.01 0.35 -0.33 0.02 0.00 0.00 177.57 178.24 2re3 h GLU 188 N 0.07 0.38 0.14 1.57 3.07 -1.99 0.44 114.58 118.25 2re3 h GLU 188 Ca 0.16 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 2re3 h GLU 188 Cb 0.22 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2re3 h GLU 188 CO -0.28 0.25 -0.07 0.93 -1.40 0.00 0.00 179.01 178.44 2re3 h GLU 189 N 0.39 -0.18 -0.85 2.33 5.08 -1.76 -2.76 114.58 116.82 2re3 h GLU 189 Ca 0.23 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.76 2re3 h GLU 189 Cb 0.41 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2re3 h GLU 189 CO -0.06 0.17 0.43 1.25 -1.00 0.00 0.00 179.01 179.80 2re3 h LEU 190 N -0.55 0.50 -1.81 1.33 5.85 0.04 -0.50 115.31 120.17 2re3 h LEU 190 Ca -0.02 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2re3 h LEU 190 Cb 0.43 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2re3 h LEU 190 CO 0.03 0.19 -0.10 -0.33 -0.34 0.00 0.00 178.44 177.89 2re3 h GLU 191 N 0.59 0.00 0.00 1.25 4.39 -0.91 -3.52 114.58 116.38 2re3 h GLU 191 Ca 0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.18 2re3 h GLU 191 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2re3 h GLU 191 CO -0.39 0.10 0.00 0.54 -1.16 0.00 0.00 179.01 178.10