#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 0.94 -1.27 1.61 0.15 -1.26 -4.94 113.70 108.94 1x3d s SER 2 Ca 0.00 -1.50 -0.03 0.00 0.70 0.00 0.00 55.95 55.12 1x3d s SER 2 Cb 0.00 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1x3d s SER 2 CO 0.00 -1.22 1.03 -1.20 1.20 0.00 0.00 173.24 173.05 1x3d n SER 3 N -1.30 -3.34 -4.78 5.45 7.64 -1.26 -4.99 113.62 111.03 1x3d n SER 3 Ca 0.02 -0.62 -0.35 0.00 1.01 0.00 0.00 58.87 58.93 1x3d n SER 3 Cb 0.62 -4.95 -0.08 0.00 -1.01 0.00 0.00 64.21 58.79 1x3d n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3d s GLY 4 N -4.01 2.00 0.32 0.23 0.00 -1.26 -5.11 107.32 99.49 1x3d s GLY 4 Ca 0.20 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.21 1x3d s GLY 4 CO 0.74 -0.56 -0.01 -1.35 0.00 0.00 0.00 173.10 171.92 1x3d s SER 5 N -1.20 2.91 0.55 1.64 1.04 -1.26 -5.16 113.70 112.21 1x3d s SER 5 Ca 0.17 -1.29 0.05 0.00 0.48 0.00 0.00 55.95 55.36 1x3d s SER 5 Cb -0.12 -0.20 0.06 0.00 0.10 0.00 0.00 66.02 65.86 1x3d s SER 5 CO 0.07 -0.44 0.76 -0.94 0.98 0.00 0.00 173.24 173.66 1x3d s SER 6 N -3.52 5.18 0.00 7.02 1.04 -1.26 -5.13 113.70 117.03 1x3d s SER 6 Ca 0.33 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1x3d s SER 6 Cb 0.07 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1x3d s SER 6 CO 0.15 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1x3d n GLY 7 N -2.26 1.07 2.66 7.32 0.00 -1.26 -5.05 105.19 107.67 1x3d n GLY 7 Ca 0.11 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.54 2.36 0.34 4.61 0.00 -1.26 -5.11 121.76 119.16 1x3d s ALA 8 Ca 0.00 -2.88 -0.27 0.00 0.00 0.00 0.00 51.96 48.80 1x3d s ALA 8 Cb 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 23.12 21.13 1x3d s ALA 8 CO 0.00 -2.05 1.20 0.39 0.00 0.00 0.00 175.76 175.30 1x3d n GLU 9 N 2.89 1.86 -1.52 0.00 1.02 -1.26 -4.80 120.64 118.84 1x3d n GLU 9 Ca 0.18 0.65 -0.56 0.00 -0.02 0.00 0.00 57.16 57.42 1x3d n GLU 9 Cb 0.39 -2.19 -0.07 0.00 -0.02 0.00 0.00 31.44 29.55 1x3d n GLU 9 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1x3d n ILE 10 N 0.19 0.27 -4.42 -3.67 5.41 -1.26 -4.95 119.36 110.93 1x3d n ILE 10 Ca 0.06 -0.07 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 1x3d n ILE 10 Cb 0.36 -0.24 -0.16 0.00 -0.71 0.00 0.00 39.64 38.89 1x3d n ILE 10 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1x3d s PHE 11 N -0.02 2.76 0.44 1.39 5.36 -1.26 -5.12 117.98 121.53 1x3d s PHE 11 Ca 0.86 -1.28 0.06 0.00 -0.96 0.00 0.00 56.93 55.61 1x3d s PHE 11 Cb -1.14 -1.89 -0.05 0.00 -0.34 0.00 0.00 43.02 39.60 1x3d s PHE 11 CO 0.54 -0.61 0.06 0.95 -1.46 0.00 0.00 175.22 174.71 1x3d s THR 12 N 0.98 1.85 0.62 0.12 -4.23 -1.26 -5.16 115.64 108.57 1x3d s THR 12 Ca -0.02 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1x3d s THR 12 Cb -0.15 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1x3d s THR 12 CO -0.04 0.00 0.86 0.42 -0.54 0.00 0.00 174.62 175.32 1x3d s THR 13 N -2.73 2.38 -0.15 3.99 -4.23 -1.26 -5.11 115.64 108.53 1x3d s THR 13 Ca 0.29 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1x3d s THR 13 Cb 0.06 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1x3d s THR 13 CO 0.16 0.00 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.72 1x3d s LEU 14 N -4.89 1.39 -1.14 4.79 2.34 -1.26 -4.86 118.68 115.05 1x3d s LEU 14 Ca 0.62 -0.57 -0.12 0.00 0.06 0.00 0.00 54.13 54.12 1x3d s LEU 14 Cb -0.07 -0.81 0.02 0.00 -0.56 0.00 0.00 46.19 44.76 1x3d s LEU 14 CO 0.41 -0.19 0.23 -1.20 -1.06 0.00 0.00 176.35 174.54 1x3d n SER 15 N 4.93 -0.96 -0.07 1.48 7.64 -1.26 -4.82 113.62 120.57 1x3d n SER 15 Ca -0.11 -1.05 -0.12 0.00 1.01 0.00 0.00 58.87 58.60 1x3d n SER 15 Cb 0.48 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.34 1x3d n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x3d s GLU 17 N -2.26 0.96 1.21 0.00 -1.05 -1.26 -3.23 118.70 113.06 1x3d s GLU 17 Ca -0.19 0.57 -0.19 0.00 -0.15 0.00 0.00 54.97 55.01 1x3d s GLU 17 Cb 0.06 0.46 0.29 0.00 -0.44 0.00 0.00 34.13 34.50 1x3d s GLU 17 CO 0.28 -0.23 1.11 -1.25 0.95 0.00 0.00 175.26 176.12 1x3d s PRO 18 N -0.52 -1.26 0.63 -4.83 0.04 -1.26 -4.95 135.00 122.85 1x3d s PRO 18 Ca -0.06 -0.08 -0.12 0.00 0.04 0.00 0.00 61.00 60.77 1x3d s PRO 18 Cb -0.02 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 1x3d s PRO 18 CO 0.06 -3.73 1.04 0.34 0.04 0.00 0.00 177.00 174.75 1x3d s ASP 19 N -3.91 5.93 -0.27 6.66 -1.08 -1.26 -4.53 116.67 118.21 1x3d s ASP 19 Ca 0.71 1.57 -0.29 0.00 -0.52 0.00 0.00 52.55 54.02 1x3d s ASP 19 Cb -0.09 -2.49 -0.01 0.00 -1.46 0.00 0.00 42.92 38.86 1x3d s ASP 19 CO 0.56 -1.07 1.44 -0.63 0.52 0.00 0.00 175.17 175.98 1x3d s ILE 20 N -2.95 3.95 0.61 4.11 1.01 -1.26 -4.76 121.20 121.92 1x3d s ILE 20 Ca 0.58 1.07 -0.17 0.00 0.00 0.00 0.00 60.65 62.13 1x3d s ILE 20 Cb -0.13 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1x3d s ILE 20 CO 0.48 -0.41 1.12 -2.16 0.00 0.00 0.00 174.94 173.97 1x3d s PRO 21 N 4.41 3.02 0.72 2.79 0.04 -1.26 -4.95 135.00 139.76 1x3d s PRO 21 Ca 0.63 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1x3d s PRO 21 Cb -0.20 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1x3d s PRO 21 CO 0.26 -1.09 1.21 -0.80 0.04 0.00 0.00 177.00 176.62 1x3d s ASN 22 N -2.28 4.23 0.43 6.66 -0.87 -1.26 -4.40 114.94 117.46 1x3d s ASN 22 Ca 0.69 2.37 -0.24 0.00 -1.57 0.00 0.00 52.86 54.11 1x3d s ASN 22 Cb -0.22 -2.59 -0.08 0.00 -0.02 0.00 0.00 41.25 38.34 1x3d s ASN 22 CO 0.36 -2.24 1.18 -2.16 -2.57 0.00 0.00 177.10 171.67 1x3d s PRO 23 N -3.88 3.90 0.51 -0.60 0.04 -1.26 -4.82 135.00 128.89 1x3d s PRO 23 Ca 0.75 1.83 -0.21 0.00 0.04 0.00 0.00 61.00 63.41 1x3d s PRO 23 Cb -0.30 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.63 1x3d s PRO 23 CO 0.45 -0.45 1.14 -1.25 0.04 0.00 0.00 177.00 176.93 1x3d s PRO 24 N -2.49 3.53 0.38 0.56 0.04 -1.26 -4.93 135.00 130.83 1x3d s PRO 24 Ca 0.60 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1x3d s PRO 24 Cb -0.30 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1x3d s PRO 24 CO 0.37 -0.72 0.30 -0.98 0.04 0.00 0.00 177.00 176.02 1x3d s ARG 25 N -3.03 2.56 -0.24 4.56 1.70 0.14 -4.82 118.95 119.82 1x3d s ARG 25 Ca 0.69 -1.47 -0.20 0.00 -0.47 0.00 0.00 55.73 54.28 1x3d s ARG 25 Cb -0.26 -2.35 -0.02 0.00 -0.57 0.00 0.00 34.95 31.74 1x3d s ARG 25 CO 0.30 -0.04 0.60 0.42 -1.08 0.00 0.00 175.30 175.50 1x3d s ILE 26 N -2.41 5.02 -0.11 4.99 -1.09 -1.26 -0.09 121.20 126.24 1x3d s ILE 26 Ca 0.43 1.08 0.15 0.00 -2.23 0.00 0.00 60.65 60.09 1x3d s ILE 26 Cb -0.04 -3.91 -0.23 0.00 -1.58 0.00 0.00 42.46 36.71 1x3d s ILE 26 CO 0.26 0.07 0.38 0.00 -1.23 0.00 0.00 174.94 174.42 1x3d n ALA 27 N 5.42 2.75 -3.20 9.38 0.00 -0.85 -4.95 120.51 129.07 1x3d n ALA 27 Ca -0.02 -0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.09 1x3d n ALA 27 Cb 0.49 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.58 -0.27 -0.03 0.00 3.84 -1.22 -5.02 114.94 108.66 1x3d s ASN 28 Ca -0.04 0.26 0.02 0.00 0.21 0.00 0.00 52.86 53.31 1x3d s ASN 28 Cb 0.10 1.26 0.01 0.00 -0.55 0.00 0.00 41.25 42.07 1x3d s ASN 28 CO 0.63 -0.05 -0.08 0.00 -2.79 0.00 0.00 177.10 174.81 1x3d s ARG 29 N 2.60 1.00 0.45 0.43 1.70 -1.26 0.16 118.95 124.03 1x3d s ARG 29 Ca -0.03 -0.26 0.01 0.00 -0.47 0.00 0.00 55.73 54.98 1x3d s ARG 29 Cb -0.06 -0.92 0.01 0.00 -0.57 0.00 0.00 34.95 33.41 1x3d s ARG 29 CO -0.13 0.05 0.11 0.25 -1.08 0.00 0.00 175.30 174.51 1x3d n THR 30 N 3.53 0.00 0.27 4.99 -2.24 -0.14 -4.35 114.28 116.34 1x3d n THR 30 Ca -0.20 -2.03 0.12 0.00 -2.27 0.00 0.00 64.05 59.67 1x3d n THR 30 Cb 0.53 0.26 0.75 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.48 -0.78 1.57 -1.92 -3.00 116.57 111.97 1x3d h LYS 31 Ca -0.35 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.13 1x3d h LYS 31 Cb 1.11 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.02 1x3d h LYS 31 CO 0.57 0.09 -1.04 0.09 -0.57 0.00 0.00 179.45 178.59 1x3d n ASN 32 N -3.80 2.33 -3.52 0.86 4.13 -1.26 0.64 115.26 114.64 1x3d n ASN 32 Ca -0.02 -2.45 -0.08 0.00 1.68 0.00 0.00 54.58 53.70 1x3d n ASN 32 Cb 0.19 -0.44 -0.02 0.00 -1.54 0.00 0.00 39.78 37.97 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 -3.66 -0.37 -0.24 6.41 0.01 -1.14 -2.45 113.70 112.25 1x3d s SER 33 Ca 0.33 -0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.48 1x3d s SER 33 Cb 0.35 0.42 0.11 0.00 0.21 0.00 0.00 66.02 67.11 1x3d s SER 33 CO -0.03 -0.70 0.49 -0.76 0.41 0.00 0.00 173.24 172.66 1x3d s LEU 34 N -2.56 -0.84 -0.18 2.44 1.43 0.49 -0.97 118.68 118.50 1x3d s LEU 34 Ca 0.05 1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 54.19 1x3d s LEU 34 Cb -0.01 1.66 -0.03 0.00 0.03 0.00 0.00 46.19 47.84 1x3d s LEU 34 CO -0.08 -0.24 -0.00 -0.89 0.23 0.00 0.00 176.35 175.37 1x3d s THR 35 N 2.71 4.13 0.11 5.49 2.01 0.41 0.29 115.64 130.78 1x3d s THR 35 Ca -0.00 -0.27 0.10 0.00 0.31 0.00 0.00 61.69 61.84 1x3d s THR 35 Cb -0.13 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1x3d s THR 35 CO -0.15 0.46 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.21 1x3d s LEU 36 N 0.58 2.28 0.05 4.42 1.43 -0.53 -2.01 118.68 124.90 1x3d s LEU 36 Ca -0.01 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1x3d s LEU 36 Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1x3d s LEU 36 CO 0.02 0.19 -0.08 -1.10 0.23 0.00 0.00 176.35 175.61 1x3d s GLN 37 N -1.83 0.61 0.22 1.70 -1.52 0.87 -2.36 119.66 117.34 1x3d s GLN 37 Ca 0.13 -0.86 -0.09 0.00 -1.95 0.00 0.00 55.36 52.58 1x3d s GLN 37 Cb -0.10 -0.34 0.04 0.00 -0.22 0.00 0.00 33.01 32.38 1x3d s GLN 37 CO 0.05 0.06 0.49 -2.67 -0.25 0.00 0.00 175.29 172.97 1x3d n TRP 38 N 1.23 -1.72 -4.40 0.91 2.14 -0.87 0.25 117.44 114.98 1x3d n TRP 38 Ca -0.21 -1.06 -0.22 0.00 2.07 0.00 0.00 57.50 58.08 1x3d n TRP 38 Cb 0.55 0.53 -0.08 0.00 -0.81 0.00 0.00 31.31 31.50 1x3d n TRP 38 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 1x3d s LYS 39 N -2.05 1.80 -0.03 -2.67 -2.85 -1.26 -4.76 119.74 107.91 1x3d s LYS 39 Ca 0.10 -2.07 -0.20 0.00 -1.00 0.00 0.00 55.97 52.81 1x3d s LYS 39 Cb -0.03 -0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 35.51 1x3d s LYS 39 CO 0.07 -0.53 0.55 0.00 0.10 0.00 0.00 175.35 175.54 1x3d s ALA 40 N -3.38 3.50 1.00 0.59 0.00 -1.26 -4.84 121.76 117.37 1x3d s ALA 40 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1x3d s ALA 40 Cb 0.03 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1x3d s ALA 40 CO 0.20 0.15 0.00 -0.35 0.00 0.00 0.00 175.76 175.75 1x3d n PRO 41 N 2.90 0.19 -2.79 0.00 -0.04 -1.26 -4.94 135.00 129.07 1x3d n PRO 41 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 1x3d n PRO 41 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 6.55 -0.73 3.54 0.01 -1.26 -4.98 113.70 115.31 1x3d s SER 42 Ca 0.00 0.26 -0.27 0.00 1.31 0.00 0.00 55.95 57.26 1x3d s SER 42 Cb 0.00 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.78 1x3d s SER 42 CO 0.00 -1.04 1.46 -1.81 0.41 0.00 0.00 173.24 172.26 1x3d s ASP 43 N 2.21 5.92 -0.44 2.44 1.11 -1.26 -4.34 116.67 122.32 1x3d s ASP 43 Ca 0.39 -0.32 -0.08 0.00 0.18 0.00 0.00 52.55 52.71 1x3d s ASP 43 Cb -0.10 -2.55 0.10 0.00 1.07 0.00 0.00 42.92 41.44 1x3d s ASP 43 CO 0.26 -1.98 0.28 0.54 1.18 0.00 0.00 175.17 175.44 1x3d s ASN 44 N 5.09 5.59 0.00 0.27 2.20 -1.26 -4.80 114.94 122.02 1x3d s ASN 44 Ca 0.45 -1.74 0.00 0.00 -0.94 0.00 0.00 52.86 50.63 1x3d s ASN 44 Cb -0.09 -1.97 0.00 0.00 -2.00 0.00 0.00 41.25 37.20 1x3d s ASN 44 CO 0.14 -0.59 0.00 0.61 -2.94 0.00 0.00 177.10 174.32 1x3d n GLY 45 N 4.86 2.14 3.52 0.45 0.00 -1.26 -4.85 105.19 110.05 1x3d n GLY 45 Ca -0.08 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3d s SER 46 N -4.00 3.96 0.18 1.61 0.01 -1.26 -5.11 113.70 109.10 1x3d s SER 46 Ca 0.00 -0.71 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 1x3d s SER 46 Cb 0.00 -0.55 -0.08 0.00 0.21 0.00 0.00 66.02 65.60 1x3d s SER 46 CO 0.00 0.10 1.24 -1.59 0.41 0.00 0.00 173.24 173.40 1x3d s LYS 47 N -2.90 4.44 -0.37 12.44 -2.85 -1.26 -4.89 119.74 124.35 1x3d s LYS 47 Ca 0.24 1.94 -0.27 0.00 -1.00 0.00 0.00 55.97 56.88 1x3d s LYS 47 Cb -0.08 -3.23 -0.04 0.00 -2.06 0.00 0.00 37.83 32.42 1x3d s LYS 47 CO 0.14 -0.17 2.07 0.42 0.10 0.00 0.00 175.35 177.91 1x3d s ILE 48 N 0.08 3.22 0.00 3.79 1.01 -1.26 -4.27 121.20 123.76 1x3d s ILE 48 Ca 0.55 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1x3d s ILE 48 Cb -0.34 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1x3d s ILE 48 CO 0.37 -0.28 0.89 0.00 0.00 0.00 0.00 174.94 175.92 1x3d n GLN 49 N 8.77 0.00 -4.14 2.79 1.13 -0.25 -4.88 117.38 120.80 1x3d n GLN 49 Ca 0.28 0.75 -0.15 0.00 -1.94 0.00 0.00 57.00 55.94 1x3d n GLN 49 Cb 0.49 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 29.38 1x3d n GLN 49 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x3d s ASN 50 N -2.72 0.86 0.20 1.08 6.03 -1.23 -4.79 114.94 114.37 1x3d s ASN 50 Ca 0.00 -1.47 0.01 0.00 -1.03 0.00 0.00 52.86 50.37 1x3d s ASN 50 Cb 0.00 0.58 -0.04 0.00 -3.03 0.00 0.00 41.25 38.77 1x3d s ASN 50 CO 0.00 -1.15 0.37 -0.36 -2.03 0.00 0.00 177.10 173.93 1x3d s PHE 51 N -3.43 3.48 -0.33 1.54 0.08 -1.00 -3.12 117.98 115.19 1x3d s PHE 51 Ca 0.33 0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.61 1x3d s PHE 51 Cb 0.01 -1.77 0.11 0.00 -0.57 0.00 0.00 43.02 40.80 1x3d s PHE 51 CO 0.19 0.40 0.13 0.08 -0.10 0.00 0.00 175.22 175.93 1x3d s VAL 52 N -1.88 0.78 0.24 -0.44 1.01 -0.78 -2.57 120.40 116.76 1x3d s VAL 52 Ca 0.37 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 1x3d s VAL 52 Cb -0.11 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1x3d s VAL 52 CO 0.29 -0.74 0.50 -0.22 0.00 0.00 0.00 175.10 174.93 1x3d s LEU 53 N 1.45 4.14 0.02 3.92 2.96 -0.27 -3.35 118.68 127.54 1x3d s LEU 53 Ca 0.11 0.69 -0.14 0.00 -0.22 0.00 0.00 54.13 54.57 1x3d s LEU 53 Cb -0.19 -3.47 0.02 0.00 0.50 0.00 0.00 46.19 43.05 1x3d s LEU 53 CO -0.21 -0.11 0.29 -1.61 -1.32 0.00 0.00 176.35 173.39 1x3d s GLU 54 N -3.23 0.73 0.09 1.98 2.02 -1.14 -0.61 118.70 118.54 1x3d s GLU 54 Ca 0.43 -0.38 -0.20 0.00 0.02 0.00 0.00 54.97 54.85 1x3d s GLU 54 Cb -0.11 0.32 0.05 0.00 0.10 0.00 0.00 34.13 34.48 1x3d s GLU 54 CO 0.27 -0.22 0.48 1.67 0.02 0.00 0.00 175.26 177.49 1x3d s TRP 55 N -1.99 -0.35 -0.22 1.61 1.48 -1.14 -2.36 118.94 115.97 1x3d s TRP 55 Ca -0.09 0.22 0.01 0.00 -1.06 0.00 0.00 56.10 55.18 1x3d s TRP 55 Cb -0.03 0.34 0.26 0.00 -1.16 0.00 0.00 33.47 32.88 1x3d s TRP 55 CO 0.00 -0.69 1.57 -0.40 -4.06 0.00 0.00 176.95 173.38 1x3d n ASP 56 N 0.07 4.19 -2.32 -2.66 5.68 -1.20 -2.81 116.55 117.51 1x3d n ASP 56 Ca -0.17 -2.79 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 1x3d n ASP 56 Cb 0.62 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x3d n GLU 57 N -0.03 -2.80 -4.01 0.11 1.02 -1.26 0.21 120.64 113.88 1x3d n GLU 57 Ca 0.26 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.12 1x3d n GLU 57 Cb 0.89 -4.19 -0.01 0.00 -0.02 0.00 0.00 31.44 28.10 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 -0.45 -0.33 0.10 0.62 0.00 -1.26 -4.89 105.19 98.99 1x3d n GLY 58 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.43 0.54 0.00 1.61 5.02 0.13 -4.82 118.16 116.21 1x3d n LYS 59 Ca -0.15 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1x3d n LYS 59 Cb 0.61 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 1.42 0.90 0.20 0.72 0.00 -1.26 -5.05 105.19 102.11 1x3d n GLY 60 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1x3d n GLY 60 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x3d n ASN 61 N 0.00 3.21 0.00 1.61 6.94 -1.26 -5.06 115.26 120.70 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1x3d n ASN 61 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x3d n GLY 62 N 3.40 1.97 3.06 4.83 0.00 -1.26 -5.11 105.19 112.08 1x3d n GLY 62 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.35 1.93 -0.08 1.61 2.02 -1.26 -5.10 118.70 117.47 1x3d s GLU 63 Ca 0.00 -1.58 -0.21 0.00 0.02 0.00 0.00 54.97 53.20 1x3d s GLU 63 Cb 0.00 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1x3d s GLU 63 CO 0.00 -0.75 0.61 -0.06 0.02 0.00 0.00 175.26 175.08 1x3d s PHE 64 N 1.03 3.57 0.01 1.61 0.40 -1.26 -4.24 117.98 119.09 1x3d s PHE 64 Ca 0.00 1.11 0.03 0.00 -0.60 0.00 0.00 56.93 57.48 1x3d s PHE 64 Cb -0.20 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 1x3d s PHE 64 CO -0.06 0.16 -0.11 0.00 0.70 0.00 0.00 175.22 175.91 1x3d n GLN 66 N 2.51 0.00 0.00 0.00 7.27 -1.26 -2.90 117.38 123.01 1x3d n GLN 66 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 1x3d n GLN 66 Cb 0.56 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.84 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 -1.99 -0.40 -0.19 0.00 6.14 -1.23 -5.01 117.35 114.66 1x3d s TYR 68 Ca 0.00 0.91 0.00 0.00 0.64 0.00 0.00 57.07 58.62 1x3d s TYR 68 Cb 0.00 -0.07 0.05 0.00 0.42 0.00 0.00 41.96 42.36 1x3d s TYR 68 CO 0.00 -0.37 -0.07 1.41 0.64 0.00 0.00 175.55 177.16 1x3d s MET 69 N 2.41 1.70 0.00 4.97 -2.45 -1.26 -1.11 119.30 123.56 1x3d s MET 69 Ca 0.02 -0.74 0.00 0.00 -1.25 0.00 0.00 55.69 53.72 1x3d s MET 69 Cb -0.12 -2.29 0.00 0.00 1.25 0.00 0.00 34.83 33.67 1x3d s MET 69 CO -0.09 -0.47 0.00 0.41 1.05 0.00 0.00 175.02 175.93 1x3d n GLY 70 N 4.76 -0.17 0.30 2.11 0.00 -1.06 -4.89 105.19 106.24 1x3d n GLY 70 Ca -0.13 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.63 -2.20 1.61 0.87 -1.90 -2.66 113.55 108.65 1x3d h SER 71 Ca 0.00 0.03 -0.59 0.00 -1.23 0.00 0.00 61.79 60.01 1x3d h SER 71 Cb 0.00 0.18 0.19 0.00 -0.44 0.00 0.00 62.40 62.33 1x3d h SER 71 CO 0.00 -0.42 -1.13 0.00 -0.53 0.00 0.00 176.83 174.76 1x3d n GLN 72 N -5.39 0.08 -0.12 2.24 6.02 -1.26 -4.77 117.38 114.17 1x3d n GLN 72 Ca -0.11 0.03 0.06 0.00 -0.01 0.00 0.00 57.00 56.97 1x3d n GLN 72 Cb 0.29 -1.14 0.12 0.00 1.02 0.00 0.00 30.24 30.53 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 1.31 2.26 -4.30 -1.09 4.01 -1.26 -4.87 118.16 114.23 1x3d n LYS 73 Ca 0.07 -2.23 -0.25 0.00 -0.51 0.00 0.00 58.31 55.39 1x3d n LYS 73 Cb 0.49 -1.37 -0.17 0.00 -0.51 0.00 0.00 35.03 33.47 1x3d n LYS 73 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1x3d s GLN 74 N -2.07 1.59 -0.02 1.97 0.74 -1.26 -2.06 119.66 118.55 1x3d s GLN 74 Ca 0.23 -0.34 -0.01 0.00 0.05 0.00 0.00 55.36 55.30 1x3d s GLN 74 Cb 0.18 -1.45 0.02 0.00 1.10 0.00 0.00 33.01 32.86 1x3d s GLN 74 CO 0.04 -0.09 0.03 0.12 -0.55 0.00 0.00 175.29 174.84 1x3d s PHE 75 N 1.08 -0.01 -0.35 1.67 5.36 -1.00 -5.01 117.98 119.73 1x3d s PHE 75 Ca -0.07 0.12 -0.03 0.00 -0.96 0.00 0.00 56.93 55.99 1x3d s PHE 75 Cb -0.14 -0.11 0.07 0.00 -0.34 0.00 0.00 43.02 42.49 1x3d s PHE 75 CO -0.01 -0.06 0.10 0.21 -1.46 0.00 0.00 175.22 174.00 1x3d s LYS 76 N 0.60 2.30 -0.41 10.12 2.20 -1.26 -1.45 119.74 131.84 1x3d s LYS 76 Ca -0.05 -1.47 -0.27 0.00 -0.36 0.00 0.00 55.97 53.83 1x3d s LYS 76 Cb -0.07 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1x3d s LYS 76 CO -0.02 -0.80 0.99 0.42 -0.36 0.00 0.00 175.35 175.57 1x3d s ILE 77 N 1.24 4.47 0.35 5.43 1.01 0.14 -4.84 121.20 128.99 1x3d s ILE 77 Ca 0.01 1.15 0.06 0.00 0.00 0.00 0.00 60.65 61.86 1x3d s ILE 77 Cb -0.21 -4.42 0.06 0.00 0.01 0.00 0.00 42.46 37.89 1x3d s ILE 77 CO -0.02 -0.70 0.47 0.35 0.00 0.00 0.00 174.94 175.05 1x3d n THR 78 N 6.26 0.00 -3.22 2.92 -2.24 -1.26 -0.38 114.28 116.36 1x3d n THR 78 Ca 0.08 -1.16 -0.17 0.00 -2.27 0.00 0.00 64.05 60.54 1x3d n THR 78 Cb 0.48 -0.70 0.05 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.74 -5.36 -2.92 -0.78 4.76 -1.03 -4.89 118.16 106.20 1x3d n LYS 79 Ca 0.10 0.59 -0.15 0.00 -2.87 0.00 0.00 58.31 55.97 1x3d n LYS 79 Cb 0.36 -4.88 -0.01 0.00 -1.84 0.00 0.00 35.03 28.66 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 -3.58 0.00 -4.20 -0.35 4.77 -1.07 -5.00 117.00 107.57 1x3d n LEU 80 Ca -0.00 -1.57 -0.15 0.00 -0.03 0.00 0.00 56.01 54.25 1x3d n LEU 80 Cb 0.55 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 1x3d n LEU 80 CO 0.44 -0.38 -0.43 -0.44 -1.33 0.00 0.00 177.39 175.25 1x3d s SER 81 N -2.66 1.64 0.42 -1.43 0.01 -1.21 -4.12 113.70 106.36 1x3d s SER 81 Ca 0.12 -0.83 -0.24 0.00 1.31 0.00 0.00 55.95 56.31 1x3d s SER 81 Cb -0.01 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 66.12 1x3d s SER 81 CO 0.08 -0.23 1.18 -2.16 0.41 0.00 0.00 173.24 172.51 1x3d s PRO 82 N -2.84 3.94 -0.96 12.44 0.04 0.21 -3.50 135.00 144.32 1x3d s PRO 82 Ca 0.07 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 1x3d s PRO 82 Cb -0.03 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.93 1x3d s PRO 82 CO 0.01 -0.42 0.84 0.00 0.04 0.00 0.00 177.00 177.47 1x3d n ALA 83 N -0.13 -0.92 -3.90 8.56 0.00 -1.26 -4.84 120.51 118.02 1x3d n ALA 83 Ca 0.05 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.45 1x3d n ALA 83 Cb 0.47 -4.06 -0.13 0.00 0.00 0.00 0.00 19.45 15.73 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 -5.93 1.73 -0.14 0.00 0.00 -1.23 -4.95 119.30 108.79 1x3d s MET 84 Ca 0.42 -1.85 -0.29 0.00 0.00 0.00 0.00 55.69 53.96 1x3d s MET 84 Cb -0.18 -3.39 -0.03 0.00 0.00 0.00 0.00 34.83 31.22 1x3d s MET 84 CO 0.51 -1.00 1.51 0.20 0.00 0.00 0.00 175.02 176.24 1x3d s GLY 85 N 1.35 1.49 -0.03 2.11 0.00 -1.26 -3.60 107.32 107.38 1x3d s GLY 85 Ca 0.10 0.65 0.04 0.00 0.00 0.00 0.00 44.72 45.50 1x3d s GLY 85 CO -0.06 2.85 -0.13 0.00 0.00 0.00 0.00 173.10 175.75 1x3d s LYS 87 N -0.01 3.54 0.22 0.00 1.02 -1.26 -1.24 119.74 122.00 1x3d s LYS 87 Ca -0.01 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1x3d s LYS 87 Cb -0.09 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1x3d s LYS 87 CO 0.01 0.43 0.15 -0.06 -0.92 0.00 0.00 175.35 174.95 1x3d s PHE 88 N -1.79 1.26 -0.28 3.18 0.40 -0.53 -3.25 117.98 116.97 1x3d s PHE 88 Ca 0.39 -1.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.10 1x3d s PHE 88 Cb -0.11 -0.60 0.08 0.00 0.51 0.00 0.00 43.02 42.90 1x3d s PHE 88 CO 0.28 -0.65 0.76 -0.98 0.70 0.00 0.00 175.22 175.33 1x3d s ARG 89 N -4.07 0.74 -0.10 0.44 1.70 -0.99 -1.95 118.95 114.73 1x3d s ARG 89 Ca 0.39 1.02 0.00 0.00 -0.47 0.00 0.00 55.73 56.67 1x3d s ARG 89 Cb 0.06 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1x3d s ARG 89 CO 0.14 -0.11 -0.09 -1.17 -1.08 0.00 0.00 175.30 172.99 1x3d s LEU 90 N 0.83 3.00 -0.09 -1.89 2.96 -1.26 -2.90 118.68 119.33 1x3d s LEU 90 Ca -0.03 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1x3d s LEU 90 Cb -0.05 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.00 1x3d s LEU 90 CO -0.07 0.28 0.24 -0.94 -1.32 0.00 0.00 176.35 174.53 1x3d s SER 91 N -0.30 -0.24 -0.07 3.68 1.04 -1.21 -1.30 113.70 115.30 1x3d s SER 91 Ca 0.04 0.46 -0.03 0.00 0.48 0.00 0.00 55.95 56.90 1x3d s SER 91 Cb -0.13 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1x3d s SER 91 CO 0.03 -0.10 0.09 0.00 0.98 0.00 0.00 173.24 174.24 1x3d s ALA 92 N 0.07 3.63 -0.03 5.32 0.00 -1.26 -1.87 121.76 127.63 1x3d s ALA 92 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1x3d s ALA 92 Cb -0.02 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1x3d s ALA 92 CO 0.00 0.64 -0.13 0.50 0.00 0.00 0.00 175.76 176.78 1x3d s ARG 93 N -1.28 1.27 0.50 0.00 3.52 -1.18 -0.24 118.95 121.53 1x3d s ARG 93 Ca 0.18 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 1x3d s ARG 93 Cb -0.12 -1.16 -0.01 0.00 -1.56 0.00 0.00 34.95 32.11 1x3d s ARG 93 CO 0.08 0.20 0.03 0.54 -0.81 0.00 0.00 175.30 175.33 1x3d s ASN 94 N 0.03 3.91 0.58 -2.12 2.20 -0.88 -1.08 114.94 117.57 1x3d s ASN 94 Ca -0.01 -1.70 0.39 0.00 -0.94 0.00 0.00 52.86 50.60 1x3d s ASN 94 Cb -0.09 0.62 1.38 0.00 -2.00 0.00 0.00 41.25 41.16 1x3d s ASN 94 CO 0.01 -0.92 1.49 -2.24 -2.94 0.00 0.00 177.10 172.50 1x3d h ASP 95 N 1.39 0.00 0.05 3.54 2.03 -1.91 -0.00 116.42 121.52 1x3d h ASP 95 Ca -0.42 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1x3d h ASP 95 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1x3d h ASP 95 CO 0.70 0.00 -0.03 1.88 -1.03 0.00 0.00 179.24 180.76 1x3d h TYR 96 N 0.00 -0.07 0.00 4.15 0.05 -1.89 -3.51 116.97 115.70 1x3d h TYR 96 Ca 0.71 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.48 1x3d h TYR 96 Cb 3.24 0.02 0.00 0.00 1.01 0.00 0.00 36.73 41.00 1x3d h TYR 96 CO 0.00 -0.04 0.00 0.41 -1.05 0.00 0.00 178.16 177.48 1x3d n GLY 97 N 1.60 -0.89 3.73 3.88 0.00 -0.02 -4.98 105.19 108.51 1x3d n GLY 97 Ca -0.01 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.00 4.20 0.45 2.61 2.01 -1.26 -2.08 115.64 119.57 1x3d s THR 98 Ca 0.00 1.81 -0.06 0.00 0.31 0.00 0.00 61.69 63.75 1x3d s THR 98 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1x3d s THR 98 CO 0.00 0.27 0.75 -0.94 -0.69 0.00 0.00 174.62 174.01 1x3d s SER 99 N 0.13 6.33 0.46 3.53 1.04 0.66 -4.89 113.70 120.95 1x3d s SER 99 Ca 0.50 0.93 -0.14 0.00 0.48 0.00 0.00 55.95 57.71 1x3d s SER 99 Cb -0.26 -2.24 -0.12 0.00 0.10 0.00 0.00 66.02 63.50 1x3d s SER 99 CO 0.32 -0.50 -0.19 0.61 0.98 0.00 0.00 173.24 174.46 1x3d n GLY 100 N -1.95 -2.71 3.76 7.32 0.00 -1.26 -4.46 105.19 105.89 1x3d n GLY 100 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.56 3.76 1.18 1.61 0.08 -1.26 -4.60 117.98 117.18 1x3d s PHE 101 Ca 0.42 1.38 -0.17 0.00 0.12 0.00 0.00 56.93 58.69 1x3d s PHE 101 Cb -0.35 -2.70 0.26 0.00 -0.57 0.00 0.00 43.02 39.67 1x3d s PHE 101 CO 0.54 0.38 0.59 -1.13 -0.10 0.00 0.00 175.22 175.50 1x3d n SER 102 N 2.43 -3.50 -4.69 1.36 3.41 -0.42 -4.86 113.62 107.35 1x3d n SER 102 Ca -0.05 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.54 1x3d n SER 102 Cb 0.50 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 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 -4.11 4.31 -0.11 4.33 0.41 -1.26 -4.75 118.70 117.53 1x3d s GLU 103 Ca 0.47 1.83 -0.38 0.00 -0.41 0.00 0.00 54.97 56.48 1x3d s GLU 103 Cb -0.08 -3.56 -0.15 0.00 -1.78 0.00 0.00 34.13 28.55 1x3d s GLU 103 CO 0.40 -0.51 1.62 0.39 -0.49 0.00 0.00 175.26 176.66 1x3d n GLU 104 N 5.28 1.35 -3.98 1.61 1.02 -1.26 -4.82 120.64 119.84 1x3d n GLU 104 Ca 0.12 0.49 -0.35 0.00 -0.02 0.00 0.00 57.16 57.40 1x3d n GLU 104 Cb 0.45 -2.19 -0.13 0.00 -0.02 0.00 0.00 31.44 29.55 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 2.45 3.93 -0.29 2.62 -7.23 -0.82 -4.92 120.40 116.14 1x3d s VAL 105 Ca 0.92 -0.31 -0.17 0.00 -1.81 0.00 0.00 61.98 60.60 1x3d s VAL 105 Cb -0.96 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 1x3d s VAL 105 CO 0.56 0.41 0.49 -0.22 -0.31 0.00 0.00 175.10 176.03 1x3d s LEU 106 N 1.21 4.12 0.06 1.32 2.96 -1.26 -1.45 118.68 125.65 1x3d s LEU 106 Ca 0.03 0.34 0.09 0.00 -0.22 0.00 0.00 54.13 54.37 1x3d s LEU 106 Cb -0.15 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 1x3d s LEU 106 CO 0.01 -0.32 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.18 1x3d s TYR 107 N 2.29 2.07 -0.17 5.38 2.02 -0.37 -4.97 117.35 123.60 1x3d s TYR 107 Ca 0.19 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1x3d s TYR 107 Cb -0.16 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 1x3d s TYR 107 CO 0.10 0.15 -0.14 0.71 -1.57 0.00 0.00 175.55 174.81 1x3d s TYR 108 N -0.88 2.35 0.94 2.71 1.51 -1.26 -0.29 117.35 122.43 1x3d s TYR 108 Ca 0.10 -1.41 -0.17 0.00 -1.01 0.00 0.00 57.07 54.57 1x3d s TYR 108 Cb -0.10 -1.66 -0.15 0.00 -0.11 0.00 0.00 41.96 39.95 1x3d s TYR 108 CO 0.03 -0.72 -0.70 0.25 -1.11 0.00 0.00 175.55 173.30 1x3d n THR 109 N 4.72 0.01 -0.28 -0.71 -2.24 -1.24 -4.70 114.28 109.85 1x3d n THR 109 Ca -0.17 -0.49 0.05 0.00 -2.27 0.00 0.00 64.05 61.17 1x3d n THR 109 Cb 0.49 -0.01 0.12 0.00 -2.10 0.00 0.00 70.33 68.82 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 3.28 -0.26 0.00 3.42 2.88 -1.16 -4.14 113.62 117.63 1x3d n SER 110 Ca -0.01 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 1x3d n SER 110 Cb 0.55 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.48 -0.56 3.63 0.46 0.00 -1.26 -4.72 105.19 101.26 1x3d n GLY 111 Ca 0.13 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 4.64 6.43 0.00 0.00 1.04 -1.26 -4.98 113.70 119.56 1x3d s SER 113 Ca 0.76 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1x3d s SER 113 Cb -0.27 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1x3d s SER 113 CO 0.31 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1x3d n GLY 114 N 4.39 4.09 3.63 7.32 0.00 -1.26 -5.16 105.19 118.19 1x3d n GLY 114 Ca -0.04 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.58 -0.58 -0.32 1.61 0.04 -1.26 -5.04 135.00 126.87 1x3d s PRO 115 Ca 0.00 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1x3d s PRO 115 Cb 0.00 -1.65 0.07 0.00 0.04 0.00 0.00 34.50 32.96 1x3d s PRO 115 CO 0.00 -3.33 0.02 0.45 0.04 0.00 0.00 177.00 174.18 1x3d s SER 116 N -3.72 4.83 -0.22 6.66 0.15 -1.26 -4.96 113.70 115.19 1x3d s SER 116 Ca 0.69 -1.58 -0.14 0.00 0.70 0.00 0.00 55.95 55.62 1x3d s SER 116 Cb -0.13 -1.68 -0.18 0.00 -1.71 0.00 0.00 66.02 62.32 1x3d s SER 116 CO 0.57 -0.31 0.01 -0.24 1.20 0.00 0.00 173.24 174.47 1x3d n SER 117 N 4.51 1.95 0.00 5.45 2.88 -1.26 -5.37 113.62 121.78 1x3d n SER 117 Ca -0.09 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1x3d n SER 117 Cb 0.42 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1x3d n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42