#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3d s SER 2 N 0.00 0.07 -0.01 1.61 1.04 -1.26 -5.17 113.70 109.98 1x3d s SER 2 Ca 0.00 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.44 1x3d s SER 2 Cb 0.00 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1x3d s SER 2 CO 0.00 -1.18 -0.17 -0.55 0.98 0.00 0.00 173.24 172.32 1x3d s SER 3 N -3.06 1.97 0.24 7.02 0.15 -1.26 -5.04 113.70 113.72 1x3d s SER 3 Ca 0.24 -0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.44 1x3d s SER 3 Cb -0.01 -0.21 0.30 0.00 -1.71 0.00 0.00 66.02 64.39 1x3d s SER 3 CO 0.11 0.20 1.57 1.23 1.20 0.00 0.00 173.24 177.55 1x3d h GLY 4 N 5.67 0.34 -6.51 9.45 0.00 -2.08 -3.44 103.07 106.50 1x3d h GLY 4 Ca -0.36 0.39 -0.51 0.00 0.00 0.00 0.00 47.33 46.85 1x3d h GLY 4 CO 0.48 -0.28 -0.81 1.44 0.00 0.00 0.00 176.54 177.37 1x3d n SER 5 N -5.52 -3.30 -4.12 0.19 7.64 -1.26 -4.96 113.62 102.29 1x3d n SER 5 Ca 0.11 -0.91 -0.19 0.00 1.01 0.00 0.00 58.87 58.89 1x3d n SER 5 Cb 0.42 -3.29 -0.13 0.00 -1.01 0.00 0.00 64.21 60.20 1x3d n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x3d s SER 6 N -3.52 1.52 0.41 6.43 1.04 -1.26 -5.16 113.70 113.15 1x3d s SER 6 Ca 0.56 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1x3d s SER 6 Cb -0.30 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 1x3d s SER 6 CO 0.88 0.01 0.34 -0.83 0.98 0.00 0.00 173.24 174.62 1x3d s GLY 7 N -1.13 2.14 -0.15 7.32 0.00 -1.26 -5.14 107.32 109.09 1x3d s GLY 7 Ca 0.00 -1.90 -0.17 0.00 0.00 0.00 0.00 44.72 42.65 1x3d s GLY 7 CO 0.01 -1.72 0.46 0.00 0.00 0.00 0.00 173.10 171.85 1x3d s ALA 8 N -2.48 -1.15 -0.42 3.20 0.00 -1.26 -5.13 121.76 114.53 1x3d s ALA 8 Ca 0.46 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 1x3d s ALA 8 Cb -0.02 -0.62 0.11 0.00 0.00 0.00 0.00 23.12 22.58 1x3d s ALA 8 CO 0.27 -0.23 0.22 -1.21 0.00 0.00 0.00 175.76 174.80 1x3d s GLU 9 N -0.02 2.02 -0.06 0.00 0.41 -1.26 -5.08 118.70 114.72 1x3d s GLU 9 Ca -0.02 -1.87 0.04 0.00 -0.41 0.00 0.00 54.97 52.70 1x3d s GLU 9 Cb -0.03 -3.58 -0.02 0.00 -1.78 0.00 0.00 34.13 28.71 1x3d s GLU 9 CO 0.02 -1.08 -0.17 0.42 -0.49 0.00 0.00 175.26 173.96 1x3d s ILE 10 N 1.05 2.80 0.10 -1.63 -1.09 -1.26 -5.13 121.20 116.04 1x3d s ILE 10 Ca 0.09 -0.81 0.07 0.00 -2.23 0.00 0.00 60.65 57.77 1x3d s ILE 10 Cb -0.23 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1x3d s ILE 10 CO -0.04 0.58 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.80 1x3d s PHE 11 N -0.53 2.76 0.08 3.97 0.40 -1.26 -5.14 117.98 118.27 1x3d s PHE 11 Ca 0.07 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 1x3d s PHE 11 Cb -0.11 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1x3d s PHE 11 CO 0.01 0.43 -0.13 0.99 0.70 0.00 0.00 175.22 177.22 1x3d s THR 12 N -1.22 1.09 1.21 0.64 2.01 -1.26 -5.15 115.64 112.97 1x3d s THR 12 Ca 0.22 -1.42 -0.18 0.00 0.31 0.00 0.00 61.69 60.62 1x3d s THR 12 Cb -0.11 -1.17 0.24 0.00 0.01 0.00 0.00 72.50 71.47 1x3d s THR 12 CO 0.14 -0.32 0.54 0.35 -0.69 0.00 0.00 174.62 174.64 1x3d n THR 13 N 1.04 0.00 -1.54 -0.82 -2.24 -1.26 -4.89 114.28 104.58 1x3d n THR 13 Ca -0.19 -0.21 -0.36 0.00 -2.27 0.00 0.00 64.05 61.02 1x3d n THR 13 Cb 0.55 -0.77 0.07 0.00 -2.10 0.00 0.00 70.33 68.08 1x3d n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1x3d n LEU 14 N -3.48 7.59 -3.85 3.22 4.32 -1.26 -4.83 117.00 118.71 1x3d n LEU 14 Ca 0.06 -4.48 -0.30 0.00 -0.02 0.00 0.00 56.01 51.27 1x3d n LEU 14 Cb 0.53 -0.99 -0.14 0.00 -1.62 0.00 0.00 43.42 41.20 1x3d n LEU 14 CO 0.43 1.58 -0.28 -0.44 -1.22 0.00 0.00 177.39 177.46 1x3d s SER 15 N -1.64 4.20 0.35 -1.43 0.01 -1.26 -4.89 113.70 109.04 1x3d s SER 15 Ca 0.61 -2.31 -0.17 0.00 1.31 0.00 0.00 55.95 55.39 1x3d s SER 15 Cb 0.49 -1.28 0.04 0.00 0.21 0.00 0.00 66.02 65.48 1x3d s SER 15 CO -0.14 -0.33 0.76 0.00 0.41 0.00 0.00 173.24 173.94 1x3d s GLU 17 N -2.79 3.71 0.85 0.00 1.03 -1.26 -4.83 118.70 115.41 1x3d s GLU 17 Ca 0.15 1.21 -0.11 0.00 0.03 0.00 0.00 54.97 56.24 1x3d s GLU 17 Cb -0.05 -2.09 0.10 0.00 -0.80 0.00 0.00 34.13 31.29 1x3d s GLU 17 CO 0.10 -0.49 1.09 -1.25 -1.33 0.00 0.00 175.26 173.39 1x3d s PRO 18 N -3.66 1.65 0.48 -4.83 0.04 -1.26 -4.98 135.00 122.44 1x3d s PRO 18 Ca 0.64 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 1x3d s PRO 18 Cb -0.14 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1x3d s PRO 18 CO 0.27 -2.01 1.31 0.34 0.04 0.00 0.00 177.00 176.95 1x3d s ASP 19 N -3.41 5.80 0.04 6.66 2.15 -1.26 -4.52 116.67 122.12 1x3d s ASP 19 Ca 0.63 2.64 -0.30 0.00 0.43 0.00 0.00 52.55 55.95 1x3d s ASP 19 Cb -0.18 -2.63 -0.09 0.00 -0.30 0.00 0.00 42.92 39.73 1x3d s ASP 19 CO 0.57 -1.20 1.92 -0.63 -0.17 0.00 0.00 175.17 175.66 1x3d s ILE 20 N -1.34 3.04 0.33 4.11 1.01 -1.26 -4.76 121.20 122.32 1x3d s ILE 20 Ca 0.65 0.10 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 1x3d s ILE 20 Cb -0.37 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 1x3d s ILE 20 CO 0.46 -0.01 1.22 -2.16 0.00 0.00 0.00 174.94 174.45 1x3d s PRO 21 N 4.25 4.40 0.72 2.79 0.04 -1.26 -4.95 135.00 140.98 1x3d s PRO 21 Ca 0.86 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.77 1x3d s PRO 21 Cb -0.42 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 1x3d s PRO 21 CO 0.40 -0.08 0.61 0.09 0.04 0.00 0.00 177.00 178.05 1x3d n ASN 22 N 0.81 -0.90 -4.77 6.66 4.13 -1.26 -4.34 115.26 115.59 1x3d n ASN 22 Ca 0.00 0.61 -0.37 0.00 1.68 0.00 0.00 54.58 56.50 1x3d n ASN 22 Cb 0.43 -1.25 -0.01 0.00 -1.54 0.00 0.00 39.78 37.42 1x3d n ASN 22 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x3d s PRO 23 N -2.85 3.73 0.39 3.52 0.04 -1.26 -4.79 135.00 133.78 1x3d s PRO 23 Ca 0.67 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 1x3d s PRO 23 Cb -0.35 -2.38 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1x3d s PRO 23 CO 0.57 -0.57 1.19 -1.25 0.04 0.00 0.00 177.00 176.98 1x3d s PRO 24 N -2.73 4.08 0.47 0.56 0.04 -1.26 -4.91 135.00 131.24 1x3d s PRO 24 Ca 0.64 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.66 1x3d s PRO 24 Cb -0.28 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.54 1x3d s PRO 24 CO 0.34 -0.31 0.48 -0.98 0.04 0.00 0.00 177.00 176.57 1x3d s ARG 25 N -2.22 2.49 -0.20 4.56 1.70 0.71 -4.86 118.95 121.12 1x3d s ARG 25 Ca 0.56 -1.60 -0.08 0.00 -0.47 0.00 0.00 55.73 54.14 1x3d s ARG 25 Cb -0.32 -2.43 -0.04 0.00 -0.57 0.00 0.00 34.95 31.58 1x3d s ARG 25 CO 0.41 -0.40 0.10 0.42 -1.08 0.00 0.00 175.30 174.75 1x3d s ILE 26 N -2.54 4.96 -0.11 4.99 -1.09 -1.26 -0.64 121.20 125.50 1x3d s ILE 26 Ca 0.49 0.03 0.07 0.00 -2.23 0.00 0.00 60.65 59.02 1x3d s ILE 26 Cb -0.05 -3.27 -0.10 0.00 -1.58 0.00 0.00 42.46 37.46 1x3d s ILE 26 CO 0.29 0.42 0.21 0.00 -1.23 0.00 0.00 174.94 174.63 1x3d n ALA 27 N 3.85 2.48 -3.22 9.38 0.00 -1.07 -4.94 120.51 126.99 1x3d n ALA 27 Ca -0.16 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1x3d n ALA 27 Cb 0.52 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1x3d n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x3d s ASN 28 N -2.47 -0.29 -0.02 0.00 3.84 -1.24 -5.03 114.94 109.73 1x3d s ASN 28 Ca -0.01 0.31 0.06 0.00 0.21 0.00 0.00 52.86 53.42 1x3d s ASN 28 Cb 0.05 1.29 -0.01 0.00 -0.55 0.00 0.00 41.25 42.03 1x3d s ASN 28 CO 0.30 -0.06 -0.19 0.00 -2.79 0.00 0.00 177.10 174.37 1x3d s ARG 29 N 2.50 1.55 0.32 0.43 1.70 -1.26 0.83 118.95 125.01 1x3d s ARG 29 Ca -0.02 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.59 1x3d s ARG 29 Cb -0.05 -1.48 -0.00 0.00 -0.57 0.00 0.00 34.95 32.84 1x3d s ARG 29 CO -0.14 0.39 0.05 0.25 -1.08 0.00 0.00 175.30 174.77 1x3d n THR 30 N 2.66 0.00 0.22 4.99 -2.24 -0.50 -4.42 114.28 114.99 1x3d n THR 30 Ca -0.15 -1.67 0.11 0.00 -2.27 0.00 0.00 64.05 60.07 1x3d n THR 30 Cb 0.53 0.46 0.40 0.00 -2.10 0.00 0.00 70.33 69.62 1x3d n THR 30 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1x3d h LYS 31 N 0.00 0.00 -0.45 -0.78 1.57 -1.94 -3.16 116.57 111.81 1x3d h LYS 31 Ca -0.26 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.22 1x3d h LYS 31 Cb 0.87 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.79 1x3d h LYS 31 CO 0.42 0.18 -1.02 0.09 -0.57 0.00 0.00 179.45 178.55 1x3d n ASN 32 N -3.26 2.30 -3.62 0.86 4.13 -1.26 -0.87 115.26 113.55 1x3d n ASN 32 Ca 0.01 -2.48 -0.02 0.00 1.68 0.00 0.00 54.58 53.77 1x3d n ASN 32 Cb 0.46 -0.43 -0.01 0.00 -1.54 0.00 0.00 39.78 38.26 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1x3d s SER 33 N -3.58 -0.12 -0.27 6.41 0.01 -1.24 -2.74 113.70 112.17 1x3d s SER 33 Ca 0.34 -0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.40 1x3d s SER 33 Cb 0.35 0.21 0.12 0.00 0.21 0.00 0.00 66.02 66.91 1x3d s SER 33 CO -0.03 -0.37 0.57 -0.76 0.41 0.00 0.00 173.24 173.06 1x3d s LEU 34 N -2.65 -0.99 -0.20 2.44 1.43 0.05 -1.41 118.68 117.35 1x3d s LEU 34 Ca 0.11 1.37 -0.09 0.00 -1.03 0.00 0.00 54.13 54.50 1x3d s LEU 34 Cb 0.02 1.99 -0.04 0.00 0.03 0.00 0.00 46.19 48.18 1x3d s LEU 34 CO -0.04 -0.23 0.10 -0.89 0.23 0.00 0.00 176.35 175.52 1x3d s THR 35 N 2.80 5.01 -0.03 5.49 2.01 0.24 -0.58 115.64 130.58 1x3d s THR 35 Ca -0.04 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1x3d s THR 35 Cb -0.12 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1x3d s THR 35 CO -0.17 0.42 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.26 1x3d s LEU 36 N 0.60 1.94 -0.01 4.42 1.43 -1.17 -2.59 118.68 123.29 1x3d s LEU 36 Ca 0.05 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1x3d s LEU 36 Cb -0.12 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1x3d s LEU 36 CO 0.01 0.16 -0.19 -1.10 0.23 0.00 0.00 176.35 175.46 1x3d s GLN 37 N -0.07 1.54 0.26 1.70 -0.21 0.18 -3.08 119.66 119.99 1x3d s GLN 37 Ca -0.01 -0.71 -0.03 0.00 0.02 0.00 0.00 55.36 54.64 1x3d s GLN 37 Cb -0.10 -1.50 -0.02 0.00 1.00 0.00 0.00 33.01 32.38 1x3d s GLN 37 CO 0.01 0.41 0.31 1.67 -2.12 0.00 0.00 175.29 175.57 1x3d s TRP 38 N -0.48 1.05 0.40 0.91 -2.14 -0.98 -0.21 118.94 117.49 1x3d s TRP 38 Ca 0.07 -1.25 0.07 0.00 2.66 0.00 0.00 56.10 57.65 1x3d s TRP 38 Cb -0.07 -0.31 -0.08 0.00 -3.10 0.00 0.00 33.47 29.91 1x3d s TRP 38 CO -0.01 -0.86 0.01 0.15 -2.66 0.00 0.00 176.95 173.59 1x3d s LYS 39 N -3.78 1.93 0.04 3.25 -0.14 -1.26 -4.81 119.74 114.96 1x3d s LYS 39 Ca 0.34 -2.09 -0.21 0.00 -1.36 0.00 0.00 55.97 52.65 1x3d s LYS 39 Cb 0.03 -1.56 -0.06 0.00 -1.68 0.00 0.00 37.83 34.56 1x3d s LYS 39 CO 0.16 -0.06 0.62 0.00 -0.76 0.00 0.00 175.35 175.30 1x3d s ALA 40 N -2.77 3.51 1.00 5.17 0.00 -1.26 -4.77 121.76 122.64 1x3d s ALA 40 Ca 0.35 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1x3d s ALA 40 Cb 0.10 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1x3d s ALA 40 CO 0.18 0.26 0.00 -0.35 0.00 0.00 0.00 175.76 175.84 1x3d n PRO 41 N 2.25 -0.22 -3.35 0.00 -0.04 -1.26 -4.99 135.00 127.40 1x3d n PRO 41 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 1x3d n PRO 41 Cb 0.51 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 1x3d n PRO 41 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3d s SER 42 N -1.51 6.23 -0.71 3.54 0.01 -1.26 -5.02 113.70 114.98 1x3d s SER 42 Ca 0.00 -0.12 -0.26 0.00 1.31 0.00 0.00 55.95 56.87 1x3d s SER 42 Cb 0.00 -2.22 -0.00 0.00 0.21 0.00 0.00 66.02 64.01 1x3d s SER 42 CO 0.00 -0.37 1.64 1.51 0.41 0.00 0.00 173.24 176.43 1x3d s ASP 43 N 1.73 5.64 -0.15 2.44 -4.77 -1.26 -4.40 116.67 115.90 1x3d s ASP 43 Ca 0.14 -0.14 -0.23 0.00 -3.30 0.00 0.00 52.55 49.02 1x3d s ASP 43 Cb -0.16 -2.55 -0.21 0.00 -1.09 0.00 0.00 42.92 38.92 1x3d s ASP 43 CO 0.12 -2.17 0.51 0.78 0.70 0.00 0.00 175.17 175.11 1x3d h ASN 44 N 12.60 0.00 0.00 2.11 2.35 -1.96 -3.48 115.58 127.20 1x3d h ASN 44 Ca -0.20 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 1x3d h ASN 44 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1x3d h ASN 44 CO 1.25 1.05 0.00 0.61 -1.65 0.00 0.00 177.43 178.70 1x3d n GLY 45 N 1.59 0.44 3.73 2.83 0.00 -1.26 -5.02 105.19 107.49 1x3d n GLY 45 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 46 N -1.00 7.40 -0.05 1.61 0.15 -1.26 -4.94 113.70 115.61 1x3d s SER 46 Ca 0.00 1.94 -0.39 0.00 0.70 0.00 0.00 55.95 58.19 1x3d s SER 46 Cb 0.00 -2.60 -0.18 0.00 -1.71 0.00 0.00 66.02 61.53 1x3d s SER 46 CO 0.00 -0.12 1.32 2.29 1.20 0.00 0.00 173.24 177.93 1x3d n LYS 47 N 2.53 0.61 -1.65 5.44 2.85 -1.26 -4.61 118.16 122.07 1x3d n LYS 47 Ca 0.02 0.22 -0.48 0.00 -1.05 0.00 0.00 58.31 57.03 1x3d n LYS 47 Cb 0.48 -1.80 -0.05 0.00 -0.65 0.00 0.00 35.03 33.01 1x3d n LYS 47 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1x3d n ILE 48 N 2.57 0.07 0.29 0.58 5.41 -1.26 -4.46 119.36 122.56 1x3d n ILE 48 Ca 0.21 -0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.82 1x3d n ILE 48 Cb 0.12 -1.40 -0.06 0.00 -0.71 0.00 0.00 39.64 37.58 1x3d n ILE 48 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1x3d h GLN 49 N 5.98 -0.75 -3.43 0.38 4.20 -1.39 -3.48 115.11 116.63 1x3d h GLN 49 Ca -0.46 0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.17 1x3d h GLN 49 Cb 1.28 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.20 1x3d h GLN 49 CO 0.87 -0.47 0.11 0.54 -0.67 0.00 0.00 178.83 179.21 1x3d s ASN 50 N -4.67 0.42 -0.04 1.46 4.22 -1.21 -4.85 114.94 110.27 1x3d s ASN 50 Ca -0.13 -1.34 -0.01 0.00 -2.14 0.00 0.00 52.86 49.25 1x3d s ASN 50 Cb 0.01 0.80 -0.04 0.00 1.28 0.00 0.00 41.25 43.31 1x3d s ASN 50 CO 0.39 -1.59 0.02 -0.36 -2.04 0.00 0.00 177.10 173.53 1x3d s PHE 51 N -2.41 3.18 -0.23 1.54 0.08 0.50 -3.05 117.98 117.60 1x3d s PHE 51 Ca 0.21 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.45 1x3d s PHE 51 Cb -0.03 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1x3d s PHE 51 CO 0.16 0.50 -0.12 0.08 -0.10 0.00 0.00 175.22 175.73 1x3d s VAL 52 N -1.02 2.36 0.03 -0.44 1.01 -0.75 -2.13 120.40 119.45 1x3d s VAL 52 Ca 0.17 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1x3d s VAL 52 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1x3d s VAL 52 CO 0.07 0.23 0.03 -0.22 0.00 0.00 0.00 175.10 175.21 1x3d s LEU 53 N 1.23 3.63 0.05 3.92 2.96 0.66 -2.77 118.68 128.36 1x3d s LEU 53 Ca -0.02 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1x3d s LEU 53 Cb -0.17 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1x3d s LEU 53 CO -0.07 0.24 0.14 -1.61 -1.32 0.00 0.00 176.35 173.73 1x3d s GLU 54 N -1.88 0.68 0.22 1.98 2.02 -1.11 -0.59 118.70 120.02 1x3d s GLU 54 Ca 0.23 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.27 1x3d s GLU 54 Cb -0.12 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.41 1x3d s GLU 54 CO 0.15 -0.19 0.55 1.67 0.02 0.00 0.00 175.26 177.46 1x3d s TRP 55 N -2.93 -0.05 -0.45 1.61 1.48 -1.21 -2.20 118.94 115.19 1x3d s TRP 55 Ca -0.02 -0.32 0.02 0.00 -1.06 0.00 0.00 56.10 54.72 1x3d s TRP 55 Cb 0.01 0.42 0.51 0.00 -1.16 0.00 0.00 33.47 33.25 1x3d s TRP 55 CO -0.06 -0.99 1.87 -0.40 -4.06 0.00 0.00 176.95 173.31 1x3d n ASP 56 N -0.37 4.88 -3.50 -2.66 5.75 -1.11 -3.01 116.55 116.52 1x3d n ASP 56 Ca -0.07 -3.46 -0.27 0.00 -0.01 0.00 0.00 54.79 50.98 1x3d n ASP 56 Cb 0.62 -0.86 -0.05 0.00 -1.03 0.00 0.00 41.12 39.80 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1x3d n GLU 57 N -0.81 -1.10 -4.32 0.11 1.02 -1.26 0.21 120.64 114.50 1x3d n GLU 57 Ca 0.52 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 57.41 1x3d n GLU 57 Cb 1.23 -3.57 -0.09 0.00 -0.02 0.00 0.00 31.44 28.98 1x3d n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3d n GLY 58 N -0.83 -0.22 0.13 0.62 0.00 -1.26 -4.82 105.19 98.81 1x3d n GLY 58 Ca 0.07 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1x3d n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3d n LYS 59 N -4.22 0.62 -0.56 1.61 5.02 0.13 -4.77 118.16 115.99 1x3d n LYS 59 Ca -0.14 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1x3d n LYS 59 Cb 0.57 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1x3d n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x3d n GLY 60 N 1.67 0.83 0.00 0.72 0.00 -1.26 -5.04 105.19 102.10 1x3d n GLY 60 Ca -0.48 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1x3d n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x3d n ASN 61 N -0.49 1.97 0.00 1.61 3.02 -1.26 -5.06 115.26 115.05 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1x3d n ASN 61 Cb 0.18 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x3d n GLY 62 N 2.46 1.95 3.29 7.41 0.00 -1.26 -5.13 105.19 113.91 1x3d n GLY 62 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x3d n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3d s GLU 63 N -0.24 2.32 -0.08 1.61 0.41 -1.26 -5.13 118.70 116.34 1x3d s GLU 63 Ca 0.00 -0.92 0.05 0.00 -0.41 0.00 0.00 54.97 53.69 1x3d s GLU 63 Cb 0.00 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 1x3d s GLU 63 CO 0.00 0.47 -0.23 -0.06 -0.49 0.00 0.00 175.26 174.95 1x3d s PHE 64 N -0.39 2.52 0.01 1.61 0.40 -1.26 -3.93 117.98 116.94 1x3d s PHE 64 Ca 0.03 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 1x3d s PHE 64 Cb -0.12 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 1x3d s PHE 64 CO 0.01 -0.26 -0.08 0.00 0.70 0.00 0.00 175.22 175.59 1x3d n GLN 66 N 2.39 0.94 -0.07 0.00 7.27 -1.26 -3.32 117.38 123.33 1x3d n GLN 66 Ca -0.16 0.34 -0.14 0.00 0.07 0.00 0.00 57.00 57.11 1x3d n GLN 66 Cb 0.57 -1.99 -0.06 0.00 2.41 0.00 0.00 30.24 31.17 1x3d n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x3d s TYR 68 N -2.28 -0.08 -0.09 0.00 6.14 -1.17 -5.02 117.35 114.85 1x3d s TYR 68 Ca -0.20 0.36 -0.02 0.00 0.64 0.00 0.00 57.07 57.85 1x3d s TYR 68 Cb 0.07 -0.19 0.03 0.00 0.42 0.00 0.00 41.96 42.29 1x3d s TYR 68 CO 0.28 -0.16 0.02 1.41 0.64 0.00 0.00 175.55 177.75 1x3d s MET 69 N 1.36 0.43 0.00 4.97 1.75 -1.26 -0.25 119.30 126.30 1x3d s MET 69 Ca -0.07 0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.47 1x3d s MET 69 Cb -0.12 -1.07 0.00 0.00 2.84 0.00 0.00 34.83 36.48 1x3d s MET 69 CO -0.05 -0.37 0.00 0.41 -0.65 0.00 0.00 175.02 174.36 1x3d n GLY 70 N 5.18 0.57 0.13 2.11 0.00 -0.91 -4.95 105.19 107.32 1x3d n GLY 70 Ca -0.06 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1x3d n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3d h SER 71 N 0.00 0.56 -2.75 1.61 0.87 -1.88 0.14 113.55 112.10 1x3d h SER 71 Ca 0.00 -0.91 -0.55 0.00 -1.23 0.00 0.00 61.79 59.10 1x3d h SER 71 Cb 0.00 -0.18 0.22 0.00 -0.44 0.00 0.00 62.40 62.00 1x3d h SER 71 CO 0.00 1.66 -1.11 0.00 -0.53 0.00 0.00 176.83 176.86 1x3d n GLN 72 N -3.81 -0.10 -0.04 2.24 6.02 -1.26 -4.78 117.38 115.65 1x3d n GLN 72 Ca -0.22 -0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.81 1x3d n GLN 72 Cb 0.98 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 30.84 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x3d n LYS 73 N 0.25 2.43 -3.77 -1.09 5.02 -1.26 -4.83 118.16 114.91 1x3d n LYS 73 Ca 0.04 -1.92 -0.15 0.00 -2.02 0.00 0.00 58.31 54.26 1x3d n LYS 73 Cb 0.54 -1.20 -0.16 0.00 -0.02 0.00 0.00 35.03 34.19 1x3d n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x3d s GLN 74 N -1.67 -0.01 -0.09 1.97 0.74 -1.26 -2.32 119.66 117.02 1x3d s GLN 74 Ca 0.13 0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.71 1x3d s GLN 74 Cb 0.11 -0.23 0.04 0.00 1.10 0.00 0.00 33.01 34.03 1x3d s GLN 74 CO 0.02 -0.16 0.20 0.12 -0.55 0.00 0.00 175.29 174.92 1x3d s PHE 75 N 1.05 -0.25 -0.31 1.67 5.36 -1.18 -5.05 117.98 119.28 1x3d s PHE 75 Ca -0.09 0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 56.42 1x3d s PHE 75 Cb -0.12 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.53 1x3d s PHE 75 CO -0.03 -0.20 0.16 0.21 -1.46 0.00 0.00 175.22 173.90 1x3d s LYS 76 N 1.18 3.46 -0.38 10.12 2.20 -1.26 -3.07 119.74 132.00 1x3d s LYS 76 Ca -0.09 -0.64 -0.24 0.00 -0.36 0.00 0.00 55.97 54.64 1x3d s LYS 76 Cb -0.11 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1x3d s LYS 76 CO -0.07 -0.37 0.83 0.42 -0.36 0.00 0.00 175.35 175.80 1x3d s ILE 77 N 1.65 4.67 0.55 5.43 1.01 0.25 -4.88 121.20 129.89 1x3d s ILE 77 Ca 0.05 0.93 0.09 0.00 0.00 0.00 0.00 60.65 61.72 1x3d s ILE 77 Cb -0.17 -4.26 0.07 0.00 0.01 0.00 0.00 42.46 38.11 1x3d s ILE 77 CO 0.07 -0.50 0.76 0.42 0.00 0.00 0.00 174.94 175.69 1x3d s THR 78 N 3.25 2.32 -0.74 2.92 -4.23 -1.26 -0.77 115.64 117.12 1x3d s THR 78 Ca 0.33 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1x3d s THR 78 Cb -0.13 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 1x3d s THR 78 CO 0.18 0.00 0.62 0.29 -0.54 0.00 0.00 174.62 175.18 1x3d n LYS 79 N -2.21 -3.53 -3.52 3.99 4.76 -1.11 -4.89 118.16 111.65 1x3d n LYS 79 Ca 0.14 0.54 -0.18 0.00 -2.87 0.00 0.00 58.31 55.94 1x3d n LYS 79 Cb 0.61 -4.55 -0.04 0.00 -1.84 0.00 0.00 35.03 29.21 1x3d n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x3d n LEU 80 N -2.90 0.00 -4.18 -0.35 4.77 -1.22 -4.98 117.00 108.14 1x3d n LEU 80 Ca -0.15 -1.81 -0.18 0.00 -0.03 0.00 0.00 56.01 53.84 1x3d n LEU 80 Cb 0.60 0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.79 1x3d n LEU 80 CO 0.39 -0.26 -0.45 -0.94 -1.33 0.00 0.00 177.39 174.80 1x3d s SER 81 N -2.59 1.69 0.54 -1.43 1.04 -1.16 -4.21 113.70 107.59 1x3d s SER 81 Ca 0.00 -0.67 -0.19 0.00 0.48 0.00 0.00 55.95 55.57 1x3d s SER 81 Cb 0.00 -0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.02 1x3d s SER 81 CO 0.00 -0.11 1.13 -2.16 0.98 0.00 0.00 173.24 173.08 1x3d s PRO 82 N -2.02 3.36 -1.35 4.02 0.04 -0.05 -3.58 135.00 135.43 1x3d s PRO 82 Ca 0.01 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 1x3d s PRO 82 Cb -0.08 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1x3d s PRO 82 CO 0.02 -0.84 1.13 0.00 0.04 0.00 0.00 177.00 177.35 1x3d n ALA 83 N -1.29 -1.44 -2.92 8.56 0.00 -1.26 -4.87 120.51 117.28 1x3d n ALA 83 Ca 0.12 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.54 1x3d n ALA 83 Cb 0.51 -4.86 -0.16 0.00 0.00 0.00 0.00 19.45 14.93 1x3d n ALA 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x3d s MET 84 N -6.18 2.83 -0.23 0.00 0.00 -1.23 -4.94 119.30 109.54 1x3d s MET 84 Ca 0.49 -0.85 -0.12 0.00 0.00 0.00 0.00 55.69 55.21 1x3d s MET 84 Cb -0.22 -2.29 -0.05 0.00 0.00 0.00 0.00 34.83 32.28 1x3d s MET 84 CO 0.74 0.31 0.23 0.20 0.00 0.00 0.00 175.02 176.50 1x3d s GLY 85 N 0.03 2.00 0.00 2.11 0.00 -1.26 -2.46 107.32 107.75 1x3d s GLY 85 Ca -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1x3d s GLY 85 CO 0.05 0.54 -0.08 0.00 0.00 0.00 0.00 173.10 173.62 1x3d s LYS 87 N -0.35 3.34 0.09 0.00 1.02 -1.26 -1.12 119.74 121.45 1x3d s LYS 87 Ca 0.02 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1x3d s LYS 87 Cb -0.04 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1x3d s LYS 87 CO -0.00 0.63 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.95 1x3d s PHE 88 N -1.42 0.77 -0.20 3.18 0.40 -0.55 -2.76 117.98 117.40 1x3d s PHE 88 Ca 0.31 -0.98 -0.17 0.00 -0.60 0.00 0.00 56.93 55.49 1x3d s PHE 88 Cb -0.13 -0.48 0.05 0.00 0.51 0.00 0.00 43.02 42.98 1x3d s PHE 88 CO 0.24 -0.24 0.53 -0.98 0.70 0.00 0.00 175.22 175.47 1x3d s ARG 89 N -3.87 0.61 0.04 0.44 1.70 -0.93 -2.03 118.95 114.90 1x3d s ARG 89 Ca 0.11 0.78 0.05 0.00 -0.47 0.00 0.00 55.73 56.21 1x3d s ARG 89 Cb 0.06 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1x3d s ARG 89 CO -0.06 -0.09 -0.11 -1.17 -1.08 0.00 0.00 175.30 172.79 1x3d s LEU 90 N 0.50 2.95 -0.16 -1.89 2.96 -1.26 -2.74 118.68 119.04 1x3d s LEU 90 Ca -0.02 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.42 1x3d s LEU 90 Cb -0.04 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.97 1x3d s LEU 90 CO -0.02 0.25 0.48 -0.94 -1.32 0.00 0.00 176.35 174.80 1x3d s SER 91 N -1.59 -0.49 -0.19 3.68 1.04 -1.12 -0.99 113.70 114.05 1x3d s SER 91 Ca 0.17 0.88 -0.08 0.00 0.48 0.00 0.00 55.95 57.41 1x3d s SER 91 Cb -0.11 0.90 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 1x3d s SER 91 CO 0.08 -0.22 0.06 0.00 0.98 0.00 0.00 173.24 174.14 1x3d s ALA 92 N 0.02 3.41 -0.08 5.32 0.00 -1.26 -1.81 121.76 127.36 1x3d s ALA 92 Ca -0.02 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1x3d s ALA 92 Cb -0.03 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1x3d s ALA 92 CO 0.02 0.15 -0.22 0.50 0.00 0.00 0.00 175.76 176.21 1x3d s ARG 93 N 0.42 2.82 0.29 0.00 3.52 -1.17 -1.01 118.95 123.81 1x3d s ARG 93 Ca 0.03 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1x3d s ARG 93 Cb -0.12 -2.30 -0.00 0.00 -1.56 0.00 0.00 34.95 30.97 1x3d s ARG 93 CO 0.00 0.32 0.01 0.27 -0.81 0.00 0.00 175.30 175.10 1x3d n ASN 94 N 3.13 2.64 -0.52 -2.12 6.94 -0.97 -1.03 115.26 123.34 1x3d n ASN 94 Ca -0.18 -2.29 0.44 0.00 -0.02 0.00 0.00 54.58 52.52 1x3d n ASN 94 Cb 0.52 0.25 0.77 0.00 -2.36 0.00 0.00 39.78 38.96 1x3d n ASN 94 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x3d h ASP 95 N 0.74 0.05 0.01 0.53 3.32 -1.81 -2.00 116.42 117.25 1x3d h ASP 95 Ca -0.24 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1x3d h ASP 95 Cb 0.74 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1x3d h ASP 95 CO 0.40 -0.02 -0.00 1.88 -1.72 0.00 0.00 179.24 179.77 1x3d h TYR 96 N 0.02 -0.01 -2.10 4.55 -1.99 -1.92 -3.51 116.97 112.02 1x3d h TYR 96 Ca 0.78 -0.00 0.34 0.00 2.00 0.00 0.00 58.73 61.85 1x3d h TYR 96 Cb 3.01 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 41.68 1x3d h TYR 96 CO -0.00 -0.01 0.89 0.41 -0.00 0.00 0.00 178.16 179.45 1x3d n GLY 97 N 1.24 0.21 3.67 3.88 0.00 -0.75 -5.07 105.19 108.36 1x3d n GLY 97 Ca -0.00 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 1x3d n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x3d s THR 98 N -2.02 4.59 0.63 2.61 2.01 -1.26 -2.28 115.64 119.92 1x3d s THR 98 Ca 0.29 1.89 -0.14 0.00 0.31 0.00 0.00 61.69 64.05 1x3d s THR 98 Cb -0.01 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 1x3d s THR 98 CO -0.01 -0.08 1.06 -0.94 -0.69 0.00 0.00 174.62 173.96 1x3d s SER 99 N 1.32 5.65 0.62 3.53 1.04 -0.18 -4.96 113.70 120.72 1x3d s SER 99 Ca 0.49 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 58.50 1x3d s SER 99 Cb -0.19 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.29 1x3d s SER 99 CO 0.14 -1.26 -0.38 0.61 0.98 0.00 0.00 173.24 173.33 1x3d n GLY 100 N -1.41 -3.24 3.81 7.32 0.00 -1.26 -4.46 105.19 105.94 1x3d n GLY 100 Ca 0.08 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1x3d n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x3d s PHE 101 N -1.64 3.77 1.24 1.61 0.08 -1.26 -4.61 117.98 117.17 1x3d s PHE 101 Ca 0.40 1.21 -0.18 0.00 0.12 0.00 0.00 56.93 58.47 1x3d s PHE 101 Cb -0.28 -2.48 0.27 0.00 -0.57 0.00 0.00 43.02 39.96 1x3d s PHE 101 CO 0.61 0.56 0.60 -1.13 -0.10 0.00 0.00 175.22 175.76 1x3d n SER 102 N 1.91 -3.30 -4.69 1.36 3.41 -0.16 -4.87 113.62 107.28 1x3d n SER 102 Ca -0.10 -0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 57.54 1x3d n SER 102 Cb 0.51 -0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1x3d n SER 102 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x3d s GLU 103 N -4.23 4.30 -0.22 4.33 2.02 -1.26 -4.75 118.70 118.89 1x3d s GLU 103 Ca 0.55 1.97 -0.37 0.00 0.02 0.00 0.00 54.97 57.14 1x3d s GLU 103 Cb -0.11 -3.52 -0.13 0.00 0.10 0.00 0.00 34.13 30.46 1x3d s GLU 103 CO 0.50 -0.54 1.89 0.39 0.02 0.00 0.00 175.26 177.52 1x3d n GLU 104 N 5.12 1.56 -3.90 1.61 1.02 -1.26 -4.84 120.64 119.95 1x3d n GLU 104 Ca 0.13 0.55 -0.36 0.00 -0.02 0.00 0.00 57.16 57.46 1x3d n GLU 104 Cb 0.44 -2.41 -0.12 0.00 -0.02 0.00 0.00 31.44 29.33 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1x3d s VAL 105 N 4.57 4.15 -0.20 2.62 -7.23 -0.86 -4.93 120.40 118.51 1x3d s VAL 105 Ca 0.98 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.77 1x3d s VAL 105 Cb -0.87 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1x3d s VAL 105 CO 0.57 0.39 0.35 -0.22 -0.31 0.00 0.00 175.10 175.87 1x3d s LEU 106 N 1.30 4.16 0.14 1.32 2.96 -1.26 -1.48 118.68 125.82 1x3d s LEU 106 Ca 0.04 0.44 0.08 0.00 -0.22 0.00 0.00 54.13 54.48 1x3d s LEU 106 Cb -0.15 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1x3d s LEU 106 CO 0.02 -0.04 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.52 1x3d s TYR 107 N 1.19 1.79 -0.11 5.38 2.02 -0.28 -4.96 117.35 122.38 1x3d s TYR 107 Ca 0.17 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1x3d s TYR 107 Cb -0.14 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 1x3d s TYR 107 CO 0.07 0.28 -0.09 0.71 -1.57 0.00 0.00 175.55 174.95 1x3d s TYR 108 N -1.78 1.56 1.00 2.71 1.51 -1.26 -0.99 117.35 120.10 1x3d s TYR 108 Ca 0.12 -0.77 -0.18 0.00 -1.01 0.00 0.00 57.07 55.24 1x3d s TYR 108 Cb -0.07 -1.26 -0.07 0.00 -0.11 0.00 0.00 41.96 40.45 1x3d s TYR 108 CO 0.06 -0.50 -0.49 0.25 -1.11 0.00 0.00 175.55 173.76 1x3d n THR 109 N 4.79 0.00 -0.10 -0.71 -2.24 -1.03 -4.83 114.28 110.16 1x3d n THR 109 Ca -0.14 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.31 1x3d n THR 109 Cb 0.50 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1x3d n THR 109 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x3d n SER 110 N 1.45 -0.25 -1.30 3.42 2.88 -1.19 -4.15 113.62 114.47 1x3d n SER 110 Ca 0.01 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1x3d n SER 110 Cb 0.60 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1x3d n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3d n GLY 111 N -1.06 -4.37 3.89 0.46 0.00 -1.26 -4.51 105.19 98.34 1x3d n GLY 111 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1x3d n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d h SER 113 N -1.03 -0.20 0.00 0.00 4.64 -1.98 -3.46 113.55 111.53 1x3d h SER 113 Ca -0.50 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1x3d h SER 113 Cb 1.08 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1x3d h SER 113 CO 0.59 -0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 1x3d n GLY 114 N -1.42 1.58 3.74 -0.77 0.00 -1.26 -5.04 105.19 102.02 1x3d n GLY 114 Ca 0.23 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1x3d n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3d s PRO 115 N 0.00 4.40 -0.19 1.61 0.04 -1.26 -5.03 135.00 134.57 1x3d s PRO 115 Ca 0.00 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1x3d s PRO 115 Cb 0.00 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.41 1x3d s PRO 115 CO 0.00 -0.22 -0.01 0.45 0.04 0.00 0.00 177.00 177.27 1x3d s SER 116 N 0.20 3.10 -1.08 6.66 0.15 -1.26 -5.07 113.70 116.41 1x3d s SER 116 Ca 0.55 -0.86 -0.22 0.00 0.70 0.00 0.00 55.95 56.12 1x3d s SER 116 Cb -0.36 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.16 1x3d s SER 116 CO 0.39 -0.26 1.65 -0.55 1.20 0.00 0.00 173.24 175.68 1x3d s SER 117 N 1.69 6.19 0.00 5.45 0.15 -1.26 -5.30 113.70 120.61 1x3d s SER 117 Ca -0.02 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.09 1x3d s SER 117 Cb -0.17 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1x3d s SER 117 CO -0.07 -1.81 0.00 0.61 1.20 0.00 0.00 173.24 173.17