#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 -0.66 0.00 1.61 0.15 -1.26 -5.13 113.70 108.42 1x3d s SER 2 Ca 0.00 1.21 -0.38 0.00 0.70 0.00 0.00 55.95 57.48 1x3d s SER 2 Cb 0.00 1.24 -0.17 0.00 -1.71 0.00 0.00 66.02 65.38 1x3d s SER 2 CO 0.00 -0.20 1.34 -0.24 1.20 0.00 0.00 173.24 175.33 1x3d n SER 3 N 2.87 1.35 -3.22 5.45 2.88 -1.26 -4.95 113.62 116.75 1x3d n SER 3 Ca -0.15 1.13 -0.01 0.00 -1.33 0.00 0.00 58.87 58.51 1x3d n SER 3 Cb 0.56 -1.11 -0.03 0.00 -0.75 0.00 0.00 64.21 62.87 1x3d n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x3d s GLY 4 N 0.82 -0.82 -0.03 0.46 0.00 -1.26 -5.15 107.32 101.34 1x3d s GLY 4 Ca 0.88 1.45 -0.02 0.00 0.00 0.00 0.00 44.72 47.03 1x3d s GLY 4 CO 0.52 3.16 0.07 -1.35 0.00 0.00 0.00 173.10 175.51 1x3d s SER 5 N 2.75 -0.06 0.36 1.64 1.04 -1.26 -5.17 113.70 113.00 1x3d s SER 5 Ca 0.17 0.14 0.09 0.00 0.48 0.00 0.00 55.95 56.83 1x3d s SER 5 Cb -0.15 0.12 -0.07 0.00 0.10 0.00 0.00 66.02 66.03 1x3d s SER 5 CO -0.20 -0.04 -0.04 -0.94 0.98 0.00 0.00 173.24 173.00 1x3d s SER 6 N 0.22 3.87 0.00 7.02 1.04 -1.26 -5.11 113.70 119.48 1x3d s SER 6 Ca -0.02 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1x3d s SER 6 Cb -0.02 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1x3d s SER 6 CO -0.01 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x3d n GLY 7 N -0.88 -1.40 3.87 7.32 0.00 -1.26 -5.16 105.19 107.68 1x3d n GLY 7 Ca -0.05 0.83 -0.37 0.00 0.00 0.00 0.00 46.02 46.44 1x3d n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s ALA 8 N 0.00 3.85 0.29 4.61 0.00 -1.26 -5.05 121.76 124.20 1x3d s ALA 8 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 1x3d s ALA 8 Cb 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 23.12 20.98 1x3d s ALA 8 CO 0.00 0.58 1.24 0.39 0.00 0.00 0.00 175.76 177.97 1x3d n GLU 9 N 2.09 1.85 -0.95 0.00 -0.58 -1.26 -4.83 120.64 116.96 1x3d n GLU 9 Ca -0.19 0.65 -0.30 0.00 -0.42 0.00 0.00 57.16 56.90 1x3d n GLU 9 Cb 0.55 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1x3d n GLU 9 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1x3d n ILE 10 N 0.77 0.32 -3.65 -3.67 -5.35 -1.26 -4.98 119.36 101.53 1x3d n ILE 10 Ca 0.08 -0.37 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 1x3d n ILE 10 Cb 0.33 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.18 1x3d n ILE 10 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1x3d s PHE 11 N -1.33 -0.18 0.60 4.28 -0.71 -1.26 -5.15 117.98 114.23 1x3d s PHE 11 Ca 0.44 -0.15 -0.19 0.00 -1.04 0.00 0.00 56.93 55.99 1x3d s PHE 11 Cb -0.44 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1x3d s PHE 11 CO 0.47 -0.70 1.07 2.41 -1.34 0.00 0.00 175.22 177.14 1x3d n THR 12 N -0.22 3.91 -0.56 -4.49 -1.04 -1.26 -4.95 114.28 105.67 1x3d n THR 12 Ca -0.16 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.05 1x3d n THR 12 Cb 0.64 -1.27 0.22 0.00 -1.82 0.00 0.00 70.33 68.10 1x3d n THR 12 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x3d n THR 13 N -1.64 0.00 -4.14 12.58 -2.24 -1.26 -5.03 114.28 112.55 1x3d n THR 13 Ca 0.14 -0.38 -0.24 0.00 -2.27 0.00 0.00 64.05 61.29 1x3d n THR 13 Cb 0.47 -0.84 -0.17 0.00 -2.10 0.00 0.00 70.33 67.69 1x3d n THR 13 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x3d s LEU 14 N -4.83 1.28 -0.79 3.22 1.43 -1.26 -5.09 118.68 112.65 1x3d s LEU 14 Ca 0.64 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 1x3d s LEU 14 Cb -0.20 -0.72 0.21 0.00 0.03 0.00 0.00 46.19 45.50 1x3d s LEU 14 CO 0.66 -0.07 0.69 -0.44 0.23 0.00 0.00 176.35 177.42 1x3d s SER 15 N 1.28 6.32 0.30 2.29 0.01 -1.26 -4.45 113.70 118.20 1x3d s SER 15 Ca -0.04 -2.83 -0.18 0.00 1.31 0.00 0.00 55.95 54.21 1x3d s SER 15 Cb -0.14 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.02 1x3d s SER 15 CO -0.03 -0.48 0.69 0.00 0.41 0.00 0.00 173.24 173.83 1x3d n GLU 17 N -0.47 0.35 -1.13 0.00 0.00 -1.26 -4.87 120.64 113.26 1x3d n GLU 17 Ca -0.04 0.13 -0.29 0.00 0.00 0.00 0.00 57.16 56.95 1x3d n GLU 17 Cb 0.60 -1.33 0.20 0.00 0.00 0.00 0.00 31.44 30.91 1x3d n GLU 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1x3d s PRO 18 N -1.41 -0.20 0.37 3.44 0.04 -1.26 -4.99 135.00 130.99 1x3d s PRO 18 Ca 0.62 0.30 -0.24 0.00 0.04 0.00 0.00 61.00 61.73 1x3d s PRO 18 Cb -0.60 -1.68 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 1x3d s PRO 18 CO 0.60 -3.11 0.96 0.34 0.04 0.00 0.00 177.00 175.82 1x3d s ASP 19 N -3.59 7.12 -0.01 6.66 2.15 -1.26 -4.55 116.67 123.18 1x3d s ASP 19 Ca 0.67 1.79 -0.30 0.00 0.43 0.00 0.00 52.55 55.15 1x3d s ASP 19 Cb -0.16 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.82 1x3d s ASP 19 CO 0.57 -0.23 1.99 -0.63 -0.17 0.00 0.00 175.17 176.71 1x3d s ILE 20 N -1.85 3.05 0.68 4.11 1.01 -1.26 -4.76 121.20 122.17 1x3d s ILE 20 Ca 0.56 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 61.12 1x3d s ILE 20 Cb -0.15 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1x3d s ILE 20 CO 0.20 -0.01 1.11 -2.16 0.00 0.00 0.00 174.94 174.07 1x3d s PRO 21 N 4.77 2.72 0.73 2.79 0.04 -1.26 -4.94 135.00 139.85 1x3d s PRO 21 Ca 0.90 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1x3d s PRO 21 Cb -0.40 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.23 1x3d s PRO 21 CO 0.40 -1.31 1.19 -0.80 0.04 0.00 0.00 177.00 176.52 1x3d s ASN 22 N -2.70 4.25 0.47 6.66 -0.87 -1.26 -4.33 114.94 117.16 1x3d s ASN 22 Ca 0.66 2.28 -0.22 0.00 -1.57 0.00 0.00 52.86 54.01 1x3d s ASN 22 Cb -0.20 -2.58 -0.07 0.00 -0.02 0.00 0.00 41.25 38.38 1x3d s ASN 22 CO 0.44 -2.22 1.16 -2.16 -2.57 0.00 0.00 177.10 171.74 1x3d s PRO 23 N -4.01 3.70 0.37 -0.60 0.04 -1.26 -4.79 135.00 128.46 1x3d s PRO 23 Ca 0.72 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 63.25 1x3d s PRO 23 Cb -0.27 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 1x3d s PRO 23 CO 0.46 -0.60 1.20 -1.25 0.04 0.00 0.00 177.00 176.85 1x3d s PRO 24 N -2.78 4.17 0.42 0.56 0.04 -1.26 -4.91 135.00 131.23 1x3d s PRO 24 Ca 0.65 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.70 1x3d s PRO 24 Cb -0.28 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 1x3d s PRO 24 CO 0.34 -0.25 0.41 -0.98 0.04 0.00 0.00 177.00 176.55 1x3d s ARG 25 N -2.10 2.58 -0.22 4.56 1.70 -0.46 -4.88 118.95 120.12 1x3d s ARG 25 Ca 0.54 -1.49 -0.11 0.00 -0.47 0.00 0.00 55.73 54.20 1x3d s ARG 25 Cb -0.33 -2.44 -0.05 0.00 -0.57 0.00 0.00 34.95 31.56 1x3d s ARG 25 CO 0.42 -0.21 0.17 0.42 -1.08 0.00 0.00 175.30 175.02 1x3d s ILE 26 N -2.46 5.37 -0.12 4.99 -1.09 -1.26 -1.42 121.20 125.21 1x3d s ILE 26 Ca 0.49 0.23 0.07 0.00 -2.23 0.00 0.00 60.65 59.21 1x3d s ILE 26 Cb -0.04 -3.51 -0.10 0.00 -1.58 0.00 0.00 42.46 37.23 1x3d s ILE 26 CO 0.29 0.38 0.21 0.00 -1.23 0.00 0.00 174.94 174.58 1x3d n ALA 27 N 4.00 2.50 -3.20 9.38 0.00 -1.13 -4.97 120.51 127.09 1x3d n ALA 27 Ca -0.15 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.15 1x3d n ALA 27 Cb 0.52 -0.26 -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 -0.31 -0.02 0.00 3.84 -1.25 -5.03 114.94 109.70 1x3d s ASN 28 Ca -0.01 0.28 0.05 0.00 0.21 0.00 0.00 52.86 53.39 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 0.31 -0.06 -0.17 0.00 -2.79 0.00 0.00 177.10 174.39 1x3d s ARG 29 N 2.66 1.54 0.34 0.43 1.70 -1.26 0.74 118.95 125.11 1x3d s ARG 29 Ca -0.03 -0.61 0.01 0.00 -0.47 0.00 0.00 55.73 54.63 1x3d s ARG 29 Cb -0.07 -1.43 -0.00 0.00 -0.57 0.00 0.00 34.95 32.88 1x3d s ARG 29 CO -0.12 0.32 0.03 0.25 -1.08 0.00 0.00 175.30 174.69 1x3d n THR 30 N 2.84 0.00 0.22 4.99 -2.24 0.76 -4.34 114.28 116.51 1x3d n THR 30 Ca -0.16 -1.71 0.09 0.00 -2.27 0.00 0.00 64.05 60.01 1x3d n THR 30 Cb 0.54 0.41 0.46 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.20 -0.78 1.57 -1.91 -3.01 116.57 112.23 1x3d h LYS 31 Ca -0.28 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.29 1x3d h LYS 31 Cb 0.90 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.88 1x3d h LYS 31 CO 0.46 0.24 -0.94 0.09 -0.57 0.00 0.00 179.45 178.73 1x3d n ASN 32 N -3.44 1.72 -3.51 0.86 3.02 -1.26 -0.09 115.26 112.56 1x3d n ASN 32 Ca -0.00 -2.53 -0.10 0.00 -0.03 0.00 0.00 54.58 51.92 1x3d n ASN 32 Cb 0.43 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x3d s SER 33 N -2.90 -0.41 -0.21 6.41 0.01 -1.22 -1.80 113.70 113.58 1x3d s SER 33 Ca 0.35 0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.68 1x3d s SER 33 Cb 0.37 0.40 0.10 0.00 0.21 0.00 0.00 66.02 67.10 1x3d s SER 33 CO -0.09 -0.60 0.39 -0.76 0.41 0.00 0.00 173.24 172.58 1x3d s LEU 34 N -2.16 -0.60 -0.21 2.44 1.43 -0.22 -0.17 118.68 119.19 1x3d s LEU 34 Ca 0.02 0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 53.71 1x3d s LEU 34 Cb -0.01 1.20 -0.05 0.00 0.03 0.00 0.00 46.19 47.36 1x3d s LEU 34 CO -0.06 -0.26 0.13 -0.89 0.23 0.00 0.00 176.35 175.51 1x3d s THR 35 N 2.57 5.37 -0.01 5.49 2.01 0.23 -0.99 115.64 130.30 1x3d s THR 35 Ca 0.04 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1x3d s THR 35 Cb -0.13 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1x3d s THR 35 CO -0.13 0.42 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.30 1x3d s LEU 36 N 0.50 2.02 -0.04 4.42 1.43 -1.17 -2.83 118.68 123.00 1x3d s LEU 36 Ca 0.08 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1x3d s LEU 36 Cb -0.12 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1x3d s LEU 36 CO -0.01 0.19 -0.11 -1.10 0.23 0.00 0.00 176.35 175.56 1x3d s GLN 37 N -0.34 1.28 0.11 1.70 -0.21 -0.51 -3.02 119.66 118.67 1x3d s GLN 37 Ca 0.05 -0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.09 1x3d s GLN 37 Cb -0.07 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.76 1x3d s GLN 37 CO -0.00 0.09 -0.05 1.67 -2.12 0.00 0.00 175.29 174.87 1x3d s TRP 38 N 0.39 0.91 0.52 0.91 -2.14 -0.90 -1.36 118.94 117.27 1x3d s TRP 38 Ca -0.08 -0.95 0.08 0.00 2.66 0.00 0.00 56.10 57.82 1x3d s TRP 38 Cb -0.12 -0.53 0.05 0.00 -3.10 0.00 0.00 33.47 29.77 1x3d s TRP 38 CO 0.02 -0.18 0.60 0.15 -2.66 0.00 0.00 176.95 174.88 1x3d s LYS 39 N -3.86 2.40 -0.12 3.25 1.02 -1.26 -4.78 119.74 116.38 1x3d s LYS 39 Ca 0.14 -1.67 -0.10 0.00 0.02 0.00 0.00 55.97 54.36 1x3d s LYS 39 Cb 0.06 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1x3d s LYS 39 CO -0.04 -0.62 0.21 0.00 -0.92 0.00 0.00 175.35 173.98 1x3d s ALA 40 N -2.62 3.77 1.00 5.17 0.00 -1.26 -4.81 121.76 123.00 1x3d s ALA 40 Ca 0.52 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1x3d s ALA 40 Cb -0.05 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1x3d s ALA 40 CO 0.32 0.42 0.00 -0.35 0.00 0.00 0.00 175.76 176.15 1x3d n PRO 41 N 2.53 -0.11 -3.13 0.00 -0.04 -1.26 -4.97 135.00 128.01 1x3d n PRO 41 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 1x3d n PRO 41 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 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 6.32 -0.58 3.54 0.01 -1.26 -5.00 113.70 115.22 1x3d s SER 42 Ca 0.00 -0.29 -0.27 0.00 1.31 0.00 0.00 55.95 56.70 1x3d s SER 42 Cb 0.00 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 1x3d s SER 42 CO 0.00 -0.72 1.77 1.51 0.41 0.00 0.00 173.24 176.21 1x3d s ASP 43 N 1.95 5.49 -0.24 2.44 1.47 -1.26 -4.49 116.67 122.03 1x3d s ASP 43 Ca 0.22 0.42 0.02 0.00 1.18 0.00 0.00 52.55 54.39 1x3d s ASP 43 Cb -0.14 -2.53 0.05 0.00 -0.34 0.00 0.00 42.92 39.96 1x3d s ASP 43 CO 0.18 -2.19 -0.11 0.54 0.68 0.00 0.00 175.17 174.27 1x3d s ASN 44 N 7.21 4.11 0.00 2.11 2.20 -1.26 -4.79 114.94 124.51 1x3d s ASN 44 Ca 0.66 -1.24 0.00 0.00 -0.94 0.00 0.00 52.86 51.34 1x3d s ASN 44 Cb -0.13 -1.44 0.00 0.00 -2.00 0.00 0.00 41.25 37.68 1x3d s ASN 44 CO 0.23 -0.18 0.00 0.61 -2.94 0.00 0.00 177.10 174.82 1x3d n GLY 45 N 4.52 2.96 3.49 0.45 0.00 -1.26 -4.66 105.19 110.68 1x3d n GLY 45 Ca -0.14 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1x3d n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3d s SER 46 N 0.00 -0.60 0.08 1.61 1.04 -1.26 -5.06 113.70 109.50 1x3d s SER 46 Ca 0.00 1.11 -0.35 0.00 0.48 0.00 0.00 55.95 57.19 1x3d s SER 46 Cb 0.00 1.12 -0.15 0.00 0.10 0.00 0.00 66.02 67.09 1x3d s SER 46 CO 0.00 -0.25 1.54 2.29 0.98 0.00 0.00 173.24 177.80 1x3d n LYS 47 N 2.54 1.76 -1.71 4.02 2.85 -1.26 -4.78 118.16 121.58 1x3d n LYS 47 Ca -0.14 0.64 -0.42 0.00 -1.05 0.00 0.00 58.31 57.33 1x3d n LYS 47 Cb 0.56 -2.37 -0.03 0.00 -0.65 0.00 0.00 35.03 32.54 1x3d n LYS 47 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1x3d s ILE 48 N 1.30 2.58 0.04 0.58 1.01 -1.26 -4.45 121.20 121.00 1x3d s ILE 48 Ca 0.83 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 61.30 1x3d s ILE 48 Cb -0.80 -3.02 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 1x3d s ILE 48 CO 0.44 -0.00 1.34 1.56 0.00 0.00 0.00 174.94 178.28 1x3d h GLN 49 N 8.82 -0.75 -3.11 2.79 4.20 -1.51 -3.48 115.11 122.07 1x3d h GLN 49 Ca -0.46 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1x3d h GLN 49 Cb 1.22 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1x3d h GLN 49 CO 0.95 -0.50 0.21 0.54 -0.67 0.00 0.00 178.83 179.36 1x3d s ASN 50 N -3.26 -0.02 0.05 1.46 6.03 -1.21 -4.80 114.94 113.19 1x3d s ASN 50 Ca -0.12 -0.99 -0.00 0.00 -1.03 0.00 0.00 52.86 50.72 1x3d s ASN 50 Cb 0.01 0.79 -0.04 0.00 -3.03 0.00 0.00 41.25 38.98 1x3d s ASN 50 CO 0.36 -1.53 0.21 -0.36 -2.03 0.00 0.00 177.10 173.75 1x3d s PHE 51 N -2.96 3.52 -0.31 1.54 0.08 0.44 -3.01 117.98 117.28 1x3d s PHE 51 Ca 0.15 0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.50 1x3d s PHE 51 Cb -0.05 -1.78 0.09 0.00 -0.57 0.00 0.00 43.02 40.72 1x3d s PHE 51 CO 0.10 0.59 0.04 0.08 -0.10 0.00 0.00 175.22 175.94 1x3d s VAL 52 N -1.49 1.80 0.08 -0.44 1.01 -0.69 -2.41 120.40 118.25 1x3d s VAL 52 Ca 0.34 -1.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.31 1x3d s VAL 52 Cb -0.13 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1x3d s VAL 52 CO 0.27 -0.52 0.42 -0.22 0.00 0.00 0.00 175.10 175.04 1x3d s LEU 53 N 1.17 4.36 0.03 3.92 2.96 -0.21 -3.33 118.68 127.59 1x3d s LEU 53 Ca 0.07 0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1x3d s LEU 53 Cb -0.19 -2.96 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 1x3d s LEU 53 CO -0.12 0.19 0.01 -1.61 -1.32 0.00 0.00 176.35 173.49 1x3d s GLU 54 N -1.80 0.45 0.12 1.98 2.02 -1.04 -1.63 118.70 118.81 1x3d s GLU 54 Ca 0.32 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.35 1x3d s GLU 54 Cb -0.14 0.17 0.05 0.00 0.10 0.00 0.00 34.13 34.30 1x3d s GLU 54 CO 0.17 -0.09 0.49 1.67 0.02 0.00 0.00 175.26 177.53 1x3d s TRP 55 N -2.27 -0.37 -0.25 1.61 1.48 -1.11 -1.74 118.94 116.29 1x3d s TRP 55 Ca -0.08 0.16 0.00 0.00 -1.06 0.00 0.00 56.10 55.12 1x3d s TRP 55 Cb -0.04 0.38 0.24 0.00 -1.16 0.00 0.00 33.47 32.90 1x3d s TRP 55 CO -0.04 -0.74 1.74 -0.40 -4.06 0.00 0.00 176.95 173.45 1x3d n ASP 56 N -0.16 4.99 -2.41 -2.66 5.75 -1.20 -2.06 116.55 118.81 1x3d n ASP 56 Ca -0.17 -2.87 -0.01 0.00 -0.01 0.00 0.00 54.79 51.73 1x3d n ASP 56 Cb 0.63 -0.87 -0.00 0.00 -1.03 0.00 0.00 41.12 39.85 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 0.14 -2.82 -4.06 0.11 1.02 -1.26 0.01 120.64 113.78 1x3d n GLU 57 Ca 0.27 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.13 1x3d n GLU 57 Cb 0.77 -4.21 -0.03 0.00 -0.02 0.00 0.00 31.44 27.96 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 -0.48 -0.27 0.14 0.62 0.00 -1.26 -4.88 105.19 99.06 1x3d n GLY 58 Ca 0.00 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.42 0.61 -0.36 1.61 5.02 0.10 -4.78 118.16 115.95 1x3d n LYS 59 Ca -0.21 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1x3d n LYS 59 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 1.59 0.93 0.28 0.72 0.00 -1.26 -5.03 105.19 102.42 1x3d n GLY 60 Ca -0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 0.17 2.76 0.00 1.61 3.02 -1.26 -5.06 115.26 116.50 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 0.07 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 3.23 2.00 3.05 7.41 0.00 -1.26 -5.11 105.19 114.50 1x3d n GLY 62 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.16 1.94 0.06 1.61 0.41 -1.26 -5.10 118.70 116.20 1x3d s GLU 63 Ca 0.00 -1.56 -0.23 0.00 -0.41 0.00 0.00 54.97 52.77 1x3d s GLU 63 Cb 0.00 -3.02 -0.06 0.00 -1.78 0.00 0.00 34.13 29.26 1x3d s GLU 63 CO 0.00 -0.72 0.68 -0.06 -0.49 0.00 0.00 175.26 174.67 1x3d s PHE 64 N 1.02 3.78 0.03 1.61 0.40 -1.26 -4.21 117.98 119.34 1x3d s PHE 64 Ca -0.01 1.40 0.02 0.00 -0.60 0.00 0.00 56.93 57.74 1x3d s PHE 64 Cb -0.20 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.63 1x3d s PHE 64 CO -0.06 0.41 -0.08 0.00 0.70 0.00 0.00 175.22 176.19 1x3d n GLN 66 N 1.99 1.79 -0.12 0.00 7.27 -1.26 -2.76 117.38 124.29 1x3d n GLN 66 Ca -0.19 0.63 -0.25 0.00 0.07 0.00 0.00 57.00 57.27 1x3d n GLN 66 Cb 0.56 -2.53 -0.09 0.00 2.41 0.00 0.00 30.24 30.59 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 -2.45 -0.22 -0.16 0.00 5.04 -1.21 -5.04 117.35 113.30 1x3d s TYR 68 Ca -0.34 0.56 -0.04 0.00 -2.44 0.00 0.00 57.07 54.82 1x3d s TYR 68 Cb 0.12 0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.50 1x3d s TYR 68 CO 0.45 -0.16 0.06 1.41 -1.34 0.00 0.00 175.55 175.98 1x3d s MET 69 N 0.77 0.27 0.00 4.97 -2.45 -1.26 -1.04 119.30 120.56 1x3d s MET 69 Ca -0.06 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.26 1x3d s MET 69 Cb -0.07 -1.72 0.00 0.00 1.25 0.00 0.00 34.83 34.29 1x3d s MET 69 CO -0.04 -0.60 0.00 0.41 1.05 0.00 0.00 175.02 175.84 1x3d n GLY 70 N 5.20 0.95 0.07 2.11 0.00 -1.01 -4.95 105.19 107.55 1x3d n GLY 70 Ca -0.07 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.00 -1.81 1.61 0.87 -1.88 0.13 113.55 112.47 1x3d h SER 71 Ca 0.00 -0.74 -0.52 0.00 -1.23 0.00 0.00 61.79 59.30 1x3d h SER 71 Cb 0.00 0.00 0.18 0.00 -0.44 0.00 0.00 62.40 62.14 1x3d h SER 71 CO 0.00 0.87 -1.30 0.00 -0.53 0.00 0.00 176.83 175.87 1x3d n GLN 72 N -4.66 0.00 -0.31 2.24 1.13 -1.26 -4.70 117.38 109.82 1x3d n GLN 72 Ca -0.07 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.06 1x3d n GLN 72 Cb 0.35 -0.90 0.18 0.00 0.11 0.00 0.00 30.24 29.98 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x3d n LYS 73 N 1.71 1.73 -3.73 -1.09 5.02 -1.26 -4.83 118.16 115.71 1x3d n LYS 73 Ca 0.04 -2.82 -0.12 0.00 -2.02 0.00 0.00 58.31 53.38 1x3d n LYS 73 Cb 0.46 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.97 0.22 -0.09 1.97 0.74 -1.26 -2.11 119.66 116.16 1x3d s GLN 74 Ca 0.36 0.53 -0.04 0.00 0.05 0.00 0.00 55.36 56.27 1x3d s GLN 74 Cb 0.32 -0.10 0.04 0.00 1.10 0.00 0.00 33.01 34.37 1x3d s GLN 74 CO 0.02 -0.16 0.19 0.12 -0.55 0.00 0.00 175.29 174.92 1x3d s PHE 75 N 1.20 -0.24 -0.39 1.67 5.36 -1.17 -5.04 117.98 119.37 1x3d s PHE 75 Ca -0.09 0.64 -0.12 0.00 -0.96 0.00 0.00 56.93 56.40 1x3d s PHE 75 Cb -0.10 -0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.57 1x3d s PHE 75 CO -0.08 -0.21 0.25 0.21 -1.46 0.00 0.00 175.22 173.93 1x3d s LYS 76 N 1.36 2.86 -0.54 10.12 2.20 -1.26 -3.07 119.74 131.41 1x3d s LYS 76 Ca -0.08 -1.10 -0.27 0.00 -0.36 0.00 0.00 55.97 54.17 1x3d s LYS 76 Cb -0.11 -3.84 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1x3d s LYS 76 CO -0.07 -0.75 1.07 0.42 -0.36 0.00 0.00 175.35 175.66 1x3d s ILE 77 N 1.59 4.22 0.46 5.43 1.01 -0.16 -4.86 121.20 128.89 1x3d s ILE 77 Ca 0.03 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.40 1x3d s ILE 77 Cb -0.20 -4.61 0.09 0.00 0.01 0.00 0.00 42.46 37.75 1x3d s ILE 77 CO 0.08 -1.17 0.63 0.35 0.00 0.00 0.00 174.94 174.83 1x3d n THR 78 N 6.50 0.00 -3.37 2.92 -2.24 -1.26 -1.05 114.28 115.77 1x3d n THR 78 Ca 0.06 -1.10 -0.17 0.00 -2.27 0.00 0.00 64.05 60.58 1x3d n THR 78 Cb 0.48 -0.97 0.08 0.00 -2.10 0.00 0.00 70.33 67.83 1x3d n THR 78 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x3d n LYS 79 N -2.13 -6.40 -3.73 -0.78 4.76 -0.75 -4.85 118.16 104.28 1x3d n LYS 79 Ca 0.11 0.80 -0.22 0.00 -2.87 0.00 0.00 58.31 56.13 1x3d n LYS 79 Cb 0.39 -5.69 -0.03 0.00 -1.84 0.00 0.00 35.03 27.86 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 -4.04 0.00 -4.23 -0.35 4.77 -1.03 -4.98 117.00 107.15 1x3d n LEU 80 Ca -0.25 -2.24 -0.20 0.00 -0.03 0.00 0.00 56.01 53.29 1x3d n LEU 80 Cb 0.65 0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.80 1x3d n LEU 80 CO 0.58 -0.37 -0.48 -0.94 -1.33 0.00 0.00 177.39 174.85 1x3d s SER 81 N -3.11 2.06 0.47 -1.43 1.04 -1.10 -3.98 113.70 107.65 1x3d s SER 81 Ca 0.06 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.58 1x3d s SER 81 Cb -0.00 -0.09 -0.07 0.00 0.10 0.00 0.00 66.02 65.96 1x3d s SER 81 CO 0.04 -0.05 1.16 -2.16 0.98 0.00 0.00 173.24 173.21 1x3d s PRO 82 N -2.03 3.70 -1.22 4.02 0.04 0.86 -3.47 135.00 136.90 1x3d s PRO 82 Ca 0.04 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 1x3d s PRO 82 Cb -0.09 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1x3d s PRO 82 CO 0.03 -0.60 0.94 0.00 0.04 0.00 0.00 177.00 177.41 1x3d n ALA 83 N -0.61 -1.08 -3.90 8.56 0.00 -1.22 -4.98 120.51 117.27 1x3d n ALA 83 Ca 0.08 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 1x3d n ALA 83 Cb 0.48 -4.62 -0.13 0.00 0.00 0.00 0.00 19.45 15.18 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 -6.03 1.74 -0.06 0.00 0.00 -1.23 -4.97 119.30 108.76 1x3d s MET 84 Ca 0.46 -1.83 -0.30 0.00 0.00 0.00 0.00 55.69 54.02 1x3d s MET 84 Cb -0.20 -3.37 -0.06 0.00 0.00 0.00 0.00 34.83 31.20 1x3d s MET 84 CO 0.57 -0.99 1.70 0.20 0.00 0.00 0.00 175.02 176.51 1x3d s GLY 85 N 1.33 1.47 -0.04 2.11 0.00 -1.26 -3.79 107.32 107.14 1x3d s GLY 85 Ca 0.09 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.77 1x3d s GLY 85 CO -0.06 3.11 -0.11 0.00 0.00 0.00 0.00 173.10 176.04 1x3d s LYS 87 N 0.32 3.30 0.24 0.00 1.02 -1.26 -1.60 119.74 121.75 1x3d s LYS 87 Ca -0.06 -0.75 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 1x3d s LYS 87 Cb -0.11 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 1x3d s LYS 87 CO 0.01 0.18 0.40 -0.06 -0.92 0.00 0.00 175.35 174.97 1x3d s PHE 88 N -2.16 0.53 -0.26 3.18 0.40 -0.41 -3.24 117.98 116.02 1x3d s PHE 88 Ca 0.40 -0.86 -0.21 0.00 -0.60 0.00 0.00 56.93 55.66 1x3d s PHE 88 Cb -0.09 0.03 0.07 0.00 0.51 0.00 0.00 43.02 43.53 1x3d s PHE 88 CO 0.32 -0.91 0.68 -0.98 0.70 0.00 0.00 175.22 175.02 1x3d s ARG 89 N -4.05 0.76 -0.01 0.44 1.70 -0.71 -2.14 118.95 114.95 1x3d s ARG 89 Ca 0.26 1.02 0.03 0.00 -0.47 0.00 0.00 55.73 56.57 1x3d s ARG 89 Cb 0.01 0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1x3d s ARG 89 CO 0.09 -0.11 -0.09 -1.17 -1.08 0.00 0.00 175.30 172.94 1x3d s LEU 90 N 0.72 3.05 -0.17 -1.89 2.96 -1.26 -2.49 118.68 119.59 1x3d s LEU 90 Ca -0.03 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.54 1x3d s LEU 90 Cb -0.05 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.96 1x3d s LEU 90 CO -0.05 0.30 0.50 -0.94 -1.32 0.00 0.00 176.35 174.85 1x3d s SER 91 N -1.22 -0.51 -0.11 3.68 1.04 -1.21 -0.35 113.70 115.02 1x3d s SER 91 Ca 0.15 0.95 -0.04 0.00 0.48 0.00 0.00 55.95 57.48 1x3d s SER 91 Cb -0.11 0.96 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1x3d s SER 91 CO 0.05 -0.22 0.06 0.00 0.98 0.00 0.00 173.24 174.12 1x3d s ALA 92 N 0.09 3.54 -0.07 5.32 0.00 -1.26 -1.70 121.76 127.68 1x3d s ALA 92 Ca -0.01 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1x3d s ALA 92 Cb -0.03 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.38 1x3d s ALA 92 CO 0.01 0.57 -0.11 0.50 0.00 0.00 0.00 175.76 176.73 1x3d s ARG 93 N -0.84 1.63 0.42 0.00 3.52 -1.16 -0.27 118.95 122.24 1x3d s ARG 93 Ca 0.13 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1x3d s ARG 93 Cb -0.12 -1.37 -0.00 0.00 -1.56 0.00 0.00 34.95 31.90 1x3d s ARG 93 CO 0.03 0.01 0.01 0.27 -0.81 0.00 0.00 175.30 174.81 1x3d n ASN 94 N 3.87 2.98 -0.25 -2.12 6.94 -1.07 -1.28 115.26 124.35 1x3d n ASN 94 Ca -0.23 -2.88 0.17 0.00 -0.02 0.00 0.00 54.58 51.62 1x3d n ASN 94 Cb 0.52 0.36 0.32 0.00 -2.36 0.00 0.00 39.78 38.62 1x3d n ASN 94 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1x3d n ASP 95 N -1.30 0.08 0.00 0.53 2.03 -1.26 -1.02 116.55 115.61 1x3d n ASP 95 Ca -0.16 1.24 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1x3d n ASP 95 Cb 0.54 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1x3d n ASP 95 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1x3d n TYR 96 N -4.84 0.00 -0.03 -0.67 4.02 -1.26 -5.04 117.16 109.33 1x3d n TYR 96 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1x3d n TYR 96 Cb 0.75 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1x3d n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x3d n GLY 97 N -0.28 -1.24 3.69 2.72 0.00 -0.19 -5.04 105.19 104.85 1x3d n GLY 97 Ca 0.00 -1.03 -0.42 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 -2.01 4.03 0.58 2.61 2.01 -1.26 -2.59 115.64 119.01 1x3d s THR 98 Ca 0.00 1.37 -0.11 0.00 0.31 0.00 0.00 61.69 63.26 1x3d s THR 98 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1x3d s THR 98 CO 0.00 -0.01 0.98 -0.94 -0.69 0.00 0.00 174.62 173.96 1x3d s SER 99 N 1.70 6.31 0.31 3.53 1.04 0.62 -4.96 113.70 122.25 1x3d s SER 99 Ca 0.59 1.37 -0.14 0.00 0.48 0.00 0.00 55.95 58.25 1x3d s SER 99 Cb -0.27 -2.44 -0.11 0.00 0.10 0.00 0.00 66.02 63.29 1x3d s SER 99 CO 0.23 -0.77 0.02 0.61 0.98 0.00 0.00 173.24 174.31 1x3d n GLY 100 N -2.44 -2.05 3.77 7.32 0.00 -1.26 -4.44 105.19 106.09 1x3d n GLY 100 Ca 0.05 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.26 3.76 1.05 1.61 0.08 -1.26 -4.49 117.98 117.45 1x3d s PHE 101 Ca 0.42 1.37 -0.15 0.00 0.12 0.00 0.00 56.93 58.68 1x3d s PHE 101 Cb -0.43 -2.68 0.16 0.00 -0.57 0.00 0.00 43.02 39.50 1x3d s PHE 101 CO 0.45 0.39 0.23 -1.13 -0.10 0.00 0.00 175.22 175.07 1x3d n SER 102 N 2.41 -2.94 -4.68 1.36 3.41 0.53 -4.83 113.62 108.88 1x3d n SER 102 Ca -0.06 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.78 1x3d n SER 102 Cb 0.50 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.48 4.28 -0.13 4.33 8.01 -1.26 -4.74 118.70 125.70 1x3d s GLU 103 Ca 0.41 1.85 -0.39 0.00 0.01 0.00 0.00 54.97 56.85 1x3d s GLU 103 Cb -0.07 -3.65 -0.16 0.00 -4.31 0.00 0.00 34.13 25.95 1x3d s GLU 103 CO 0.41 -0.59 1.59 0.39 0.01 0.00 0.00 175.26 177.07 1x3d n GLU 104 N 5.74 1.17 -4.60 1.61 -0.58 -1.26 -4.82 120.64 117.89 1x3d n GLU 104 Ca 0.13 0.43 -0.34 0.00 -0.42 0.00 0.00 57.16 56.96 1x3d n GLU 104 Cb 0.44 -2.10 -0.12 0.00 -0.57 0.00 0.00 31.44 29.09 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1x3d s VAL 105 N 2.37 3.60 -0.20 2.62 -7.23 -0.91 -4.96 120.40 115.69 1x3d s VAL 105 Ca 0.93 -0.49 -0.05 0.00 -1.81 0.00 0.00 61.98 60.56 1x3d s VAL 105 Cb -1.02 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 33.38 1x3d s VAL 105 CO 0.58 0.55 0.00 -0.22 -0.31 0.00 0.00 175.10 175.70 1x3d s LEU 106 N -0.19 3.31 0.19 1.32 2.96 -1.26 -1.29 118.68 123.72 1x3d s LEU 106 Ca 0.02 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 1x3d s LEU 106 Cb -0.13 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1x3d s LEU 106 CO 0.03 0.08 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.69 1x3d s TYR 107 N 0.91 1.66 -0.15 5.38 2.02 -0.63 -4.99 117.35 121.54 1x3d s TYR 107 Ca 0.01 -0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 1x3d s TYR 107 Cb -0.14 -0.78 0.05 0.00 -0.40 0.00 0.00 41.96 40.68 1x3d s TYR 107 CO 0.02 0.32 0.01 0.71 -1.57 0.00 0.00 175.55 175.04 1x3d s TYR 108 N -2.91 1.04 0.77 2.71 1.51 -1.26 -0.70 117.35 118.51 1x3d s TYR 108 Ca 0.21 -0.68 -0.17 0.00 -1.01 0.00 0.00 57.07 55.42 1x3d s TYR 108 Cb -0.01 -1.01 -0.12 0.00 -0.11 0.00 0.00 41.96 40.72 1x3d s TYR 108 CO 0.06 -0.52 -0.21 0.25 -1.11 0.00 0.00 175.55 174.01 1x3d n THR 109 N 5.05 0.37 -0.86 -0.71 -2.24 -1.25 -4.85 114.28 109.80 1x3d n THR 109 Ca -0.09 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 1x3d n THR 109 Cb 0.48 -0.19 0.10 0.00 -2.10 0.00 0.00 70.33 68.61 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 2.06 -3.40 0.00 3.42 2.88 -1.14 -3.91 113.62 113.53 1x3d n SER 110 Ca 0.05 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1x3d n SER 110 Cb 0.51 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 2.43 -0.57 3.20 0.46 0.00 -1.26 -3.39 105.19 106.07 1x3d n GLY 111 Ca 0.02 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 1x3d n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s SER 113 N -1.00 -0.64 0.23 0.00 0.01 -1.26 -5.16 113.70 105.89 1x3d s SER 113 Ca 0.55 0.91 0.01 0.00 1.31 0.00 0.00 55.95 58.73 1x3d s SER 113 Cb -0.46 0.82 -0.00 0.00 0.21 0.00 0.00 66.02 66.59 1x3d s SER 113 CO 0.68 -0.43 0.05 0.61 0.41 0.00 0.00 173.24 174.55 1x3d n GLY 114 N 1.53 3.74 3.70 3.44 0.00 -1.26 -5.15 105.19 111.19 1x3d n GLY 114 Ca -0.16 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.86 0.83 0.00 1.61 0.04 -1.26 -5.03 135.00 128.34 1x3d s PRO 115 Ca 0.06 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 61.61 1x3d s PRO 115 Cb 0.00 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 1x3d s PRO 115 CO 0.05 -2.49 0.46 -1.54 0.04 0.00 0.00 177.00 173.51 1x3d s SER 116 N -3.44 6.86 -0.23 6.66 1.04 -1.26 -5.00 113.70 118.34 1x3d s SER 116 Ca 0.64 1.03 -0.38 0.00 0.48 0.00 0.00 55.95 57.72 1x3d s SER 116 Cb -0.18 -2.29 -0.14 0.00 0.10 0.00 0.00 66.02 63.51 1x3d s SER 116 CO 0.57 0.27 1.83 -1.54 0.98 0.00 0.00 173.24 175.35 1x3d n SER 117 N 2.04 2.69 0.00 7.02 3.41 -1.26 -5.37 113.62 122.15 1x3d n SER 117 Ca -0.12 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1x3d n SER 117 Cb 0.52 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1x3d n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49