#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 6.32 0.04 1.61 0.15 -1.26 -5.00 113.70 115.55 1x3d s SER 2 Ca 0.00 0.34 0.02 0.00 0.70 0.00 0.00 55.95 57.01 1x3d s SER 2 Cb 0.00 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1x3d s SER 2 CO 0.00 -1.54 0.02 -0.55 1.20 0.00 0.00 173.24 172.37 1x3d s SER 3 N 3.66 5.21 0.00 5.45 0.15 -1.26 -4.91 113.70 122.00 1x3d s SER 3 Ca 0.50 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1x3d s SER 3 Cb -0.10 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 1x3d s SER 3 CO 0.27 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1x3d n GLY 4 N 1.01 0.19 0.00 9.45 0.00 -1.26 -5.00 105.19 109.59 1x3d n GLY 4 Ca -0.12 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.32 1x3d n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x3d n SER 5 N 0.00 0.34 -3.74 1.61 3.41 -1.26 -4.59 113.62 109.39 1x3d n SER 5 Ca 0.00 -0.01 -0.30 0.00 -0.26 0.00 0.00 58.87 58.30 1x3d n SER 5 Cb 0.00 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1x3d n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x3d s SER 6 N -2.99 3.94 -0.42 4.04 0.01 -1.26 -5.00 113.70 112.02 1x3d s SER 6 Ca 0.12 -1.97 0.11 0.00 1.31 0.00 0.00 55.95 55.52 1x3d s SER 6 Cb 0.18 -0.95 0.38 0.00 0.21 0.00 0.00 66.02 65.85 1x3d s SER 6 CO 0.64 -0.37 0.89 0.61 0.41 0.00 0.00 173.24 175.42 1x3d n GLY 7 N 4.41 3.90 3.69 3.44 0.00 -1.26 -5.08 105.19 114.29 1x3d n GLY 7 Ca 0.02 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.00 3.50 -0.79 4.61 0.00 -1.26 -5.01 121.76 119.81 1x3d s ALA 8 Ca 0.40 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1x3d s ALA 8 Cb 0.37 -1.90 0.36 0.00 0.00 0.00 0.00 23.12 21.95 1x3d s ALA 8 CO -0.08 0.31 1.88 -0.85 0.00 0.00 0.00 175.76 177.02 1x3d n GLU 9 N 3.07 2.91 -0.99 0.00 0.28 -1.26 -4.79 120.64 119.86 1x3d n GLU 9 Ca -0.17 -3.70 -0.14 0.00 -0.16 0.00 0.00 57.16 52.99 1x3d n GLU 9 Cb 0.53 -2.27 -0.06 0.00 1.43 0.00 0.00 31.44 31.07 1x3d n GLU 9 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1x3d n ILE 10 N -0.52 2.82 -3.35 3.84 -5.35 -1.26 -4.83 119.36 110.71 1x3d n ILE 10 Ca 0.51 -1.69 -0.45 0.00 -0.27 0.00 0.00 62.75 60.85 1x3d n ILE 10 Cb 0.30 -1.65 -0.06 0.00 -1.74 0.00 0.00 39.64 36.48 1x3d n ILE 10 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1x3d s PHE 11 N -0.48 3.26 -0.14 4.28 0.40 -1.26 -4.92 117.98 119.12 1x3d s PHE 11 Ca 0.43 -1.21 -0.12 0.00 -0.60 0.00 0.00 56.93 55.44 1x3d s PHE 11 Cb 0.25 -3.56 -0.09 0.00 0.51 0.00 0.00 43.02 40.13 1x3d s PHE 11 CO -0.06 -0.94 0.10 1.15 0.70 0.00 0.00 175.22 176.17 1x3d h THR 12 N 5.86 0.46 -2.75 0.64 2.02 -2.04 -3.47 112.91 113.62 1x3d h THR 12 Ca -0.29 -1.43 -0.49 0.00 0.77 0.00 0.00 66.41 64.97 1x3d h THR 12 Cb 1.10 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1x3d h THR 12 CO 0.97 0.15 -0.25 -0.89 0.37 0.00 0.00 175.52 175.88 1x3d s THR 13 N -2.05 5.14 -0.78 3.16 2.01 -1.26 -5.02 115.64 116.84 1x3d s THR 13 Ca -0.14 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1x3d s THR 13 Cb 0.01 -3.83 0.38 0.00 0.01 0.00 0.00 72.50 69.07 1x3d s THR 13 CO 0.30 -0.44 1.98 0.18 -0.69 0.00 0.00 174.62 175.94 1x3d n LEU 14 N -1.46 7.41 -4.23 4.42 4.77 -1.26 -4.87 117.00 121.78 1x3d n LEU 14 Ca -0.05 -4.74 -0.42 0.00 -0.03 0.00 0.00 56.01 50.78 1x3d n LEU 14 Cb 0.56 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1x3d n LEU 14 CO 0.48 1.72 0.41 -0.94 -1.33 0.00 0.00 177.39 177.74 1x3d s SER 15 N -1.40 6.38 -0.09 -1.43 1.04 -1.26 -4.38 113.70 112.56 1x3d s SER 15 Ca 0.55 -3.20 -0.32 0.00 0.48 0.00 0.00 55.95 53.45 1x3d s SER 15 Cb 0.45 -2.06 0.13 0.00 0.10 0.00 0.00 66.02 64.64 1x3d s SER 15 CO -0.31 -0.36 1.20 0.00 0.98 0.00 0.00 173.24 174.74 1x3d n GLU 17 N -0.27 0.54 -1.14 0.00 0.00 -1.26 -4.93 120.64 113.58 1x3d n GLU 17 Ca -0.04 0.20 -0.29 0.00 0.00 0.00 0.00 57.16 57.03 1x3d n GLU 17 Cb 0.60 -1.57 0.20 0.00 0.00 0.00 0.00 31.44 30.67 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 -1.77 -0.15 0.46 3.44 0.04 -1.26 -4.96 135.00 130.81 1x3d s PRO 18 Ca 0.65 0.32 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 1x3d s PRO 18 Cb -0.52 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 1x3d s PRO 18 CO 0.57 -3.08 1.07 0.34 0.04 0.00 0.00 177.00 175.94 1x3d s ASP 19 N -3.59 6.36 -0.03 6.66 2.15 -1.26 -4.55 116.67 122.42 1x3d s ASP 19 Ca 0.67 2.04 -0.30 0.00 0.43 0.00 0.00 52.55 55.39 1x3d s ASP 19 Cb -0.16 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 39.80 1x3d s ASP 19 CO 0.57 -0.77 2.03 -0.38 -0.17 0.00 0.00 175.17 176.45 1x3d n ILE 20 N -0.69 0.66 -2.26 4.11 5.41 -1.26 -4.83 119.36 120.50 1x3d n ILE 20 Ca 0.08 -0.21 -0.37 0.00 1.00 0.00 0.00 62.75 63.25 1x3d n ILE 20 Cb 0.51 -2.33 -0.01 0.00 -0.71 0.00 0.00 39.64 37.10 1x3d n ILE 20 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1x3d s PRO 21 N 4.86 3.85 0.71 0.38 0.04 -1.26 -4.95 135.00 138.63 1x3d s PRO 21 Ca 0.92 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 63.61 1x3d s PRO 21 Cb -0.44 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1x3d s PRO 21 CO 0.42 -0.49 0.94 0.09 0.04 0.00 0.00 177.00 178.00 1x3d n ASN 22 N -0.31 0.40 -4.77 6.66 3.02 -1.26 -4.31 115.26 114.69 1x3d n ASN 22 Ca 0.06 0.67 -0.37 0.00 -0.03 0.00 0.00 54.58 54.92 1x3d n ASN 22 Cb 0.47 -1.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.24 1x3d n ASN 22 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x3d s PRO 23 N -3.26 3.72 0.52 3.52 0.04 -1.26 -4.74 135.00 133.53 1x3d s PRO 23 Ca 0.73 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 63.32 1x3d s PRO 23 Cb -0.35 -2.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 1x3d s PRO 23 CO 0.50 -0.58 1.14 -1.25 0.04 0.00 0.00 177.00 176.85 1x3d s PRO 24 N -2.76 3.46 0.38 0.56 0.04 -1.26 -4.88 135.00 130.53 1x3d s PRO 24 Ca 0.65 1.66 0.08 0.00 0.04 0.00 0.00 61.00 63.42 1x3d s PRO 24 Cb -0.28 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1x3d s PRO 24 CO 0.34 -0.77 0.12 -0.98 0.04 0.00 0.00 177.00 175.75 1x3d s ARG 25 N -3.13 2.21 -0.19 4.56 1.70 0.41 -4.88 118.95 119.64 1x3d s ARG 25 Ca 0.70 -1.76 -0.17 0.00 -0.47 0.00 0.00 55.73 54.03 1x3d s ARG 25 Cb -0.25 -2.01 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 1x3d s ARG 25 CO 0.29 0.00 0.47 0.42 -1.08 0.00 0.00 175.30 175.41 1x3d s ILE 26 N -2.54 5.15 -0.14 4.99 -1.09 -1.26 -0.19 121.20 126.11 1x3d s ILE 26 Ca 0.38 0.87 0.09 0.00 -2.23 0.00 0.00 60.65 59.76 1x3d s ILE 26 Cb 0.01 -3.80 -0.12 0.00 -1.58 0.00 0.00 42.46 36.97 1x3d s ILE 26 CO 0.22 0.22 0.25 0.00 -1.23 0.00 0.00 174.94 174.39 1x3d n ALA 27 N 4.59 2.59 -3.20 9.38 0.00 -1.09 -4.94 120.51 127.84 1x3d n ALA 27 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.20 1x3d n ALA 27 Cb 0.51 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.63 -0.29 0.03 0.00 2.47 -1.25 -5.03 114.94 108.25 1x3d s ASN 28 Ca -0.01 0.27 0.03 0.00 0.42 0.00 0.00 52.86 53.57 1x3d s ASN 28 Cb 0.06 1.28 -0.02 0.00 -1.45 0.00 0.00 41.25 41.12 1x3d s ASN 28 CO 0.37 -0.05 -0.10 0.00 -3.72 0.00 0.00 177.10 173.59 1x3d s ARG 29 N 2.61 0.71 0.27 0.43 1.70 -1.26 0.13 118.95 123.55 1x3d s ARG 29 Ca -0.03 -0.61 0.03 0.00 -0.47 0.00 0.00 55.73 54.66 1x3d s ARG 29 Cb -0.06 -0.65 -0.01 0.00 -0.57 0.00 0.00 34.95 33.66 1x3d s ARG 29 CO -0.13 0.16 0.12 0.25 -1.08 0.00 0.00 175.30 174.62 1x3d n THR 30 N 2.08 0.00 -0.21 4.99 -2.24 -0.57 -4.56 114.28 113.76 1x3d n THR 30 Ca -0.18 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 1x3d n THR 30 Cb 0.56 0.65 0.24 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.97 -1.24 -0.78 1.79 -1.92 -2.89 116.57 112.50 1x3d h LYS 31 Ca -0.21 -0.07 -0.51 0.00 -2.18 0.00 0.00 60.65 57.68 1x3d h LYS 31 Cb 0.85 -0.21 -0.42 0.00 -1.58 0.00 0.00 32.23 30.87 1x3d h LYS 31 CO 0.33 0.66 -0.88 0.09 -1.08 0.00 0.00 179.45 178.57 1x3d n ASN 32 N -4.41 3.74 -3.59 0.86 4.13 -1.25 -1.19 115.26 113.55 1x3d n ASN 32 Ca 0.08 -3.38 -0.04 0.00 1.68 0.00 0.00 54.58 52.92 1x3d n ASN 32 Cb 0.05 -0.47 -0.02 0.00 -1.54 0.00 0.00 39.78 37.81 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x3d s SER 33 N -3.45 -0.16 -0.29 6.41 0.15 -1.17 -2.38 113.70 112.80 1x3d s SER 33 Ca 0.42 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.98 1x3d s SER 33 Cb 0.41 0.20 0.16 0.00 -1.71 0.00 0.00 66.02 65.08 1x3d s SER 33 CO -0.10 -0.33 0.59 -0.76 1.20 0.00 0.00 173.24 173.85 1x3d s LEU 34 N -2.38 -1.20 -0.20 3.45 1.43 -0.47 -1.52 118.68 117.79 1x3d s LEU 34 Ca 0.09 1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 54.21 1x3d s LEU 34 Cb -0.00 2.11 -0.05 0.00 0.03 0.00 0.00 46.19 48.28 1x3d s LEU 34 CO -0.05 -0.25 0.13 -0.89 0.23 0.00 0.00 176.35 175.53 1x3d s THR 35 N 2.84 5.42 -0.07 5.49 2.01 0.35 -0.90 115.64 130.78 1x3d s THR 35 Ca 0.09 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1x3d s THR 35 Cb -0.14 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 68.92 1x3d s THR 35 CO -0.19 0.45 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.28 1x3d s LEU 36 N 0.28 1.75 -0.06 4.42 1.43 -0.72 -2.66 118.68 123.12 1x3d s LEU 36 Ca 0.08 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1x3d s LEU 36 Cb -0.11 -0.93 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 1x3d s LEU 36 CO -0.02 0.07 -0.21 -1.10 0.23 0.00 0.00 176.35 175.32 1x3d s GLN 37 N 0.53 2.35 0.30 1.70 -0.21 0.74 -2.77 119.66 122.29 1x3d s GLN 37 Ca -0.14 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.51 1x3d s GLN 37 Cb -0.16 -1.93 -0.06 0.00 1.00 0.00 0.00 33.01 31.87 1x3d s GLN 37 CO 0.04 0.26 0.08 1.67 -2.12 0.00 0.00 175.29 175.22 1x3d s TRP 38 N 0.09 1.76 0.46 0.91 -2.14 -1.07 -0.44 118.94 118.51 1x3d s TRP 38 Ca -0.08 -1.08 0.05 0.00 2.66 0.00 0.00 56.10 57.65 1x3d s TRP 38 Cb -0.14 -1.10 -0.04 0.00 -3.10 0.00 0.00 33.47 29.09 1x3d s TRP 38 CO 0.04 -0.17 0.10 0.15 -2.66 0.00 0.00 176.95 174.42 1x3d s LYS 39 N -3.95 2.14 -0.14 3.25 -0.14 -1.26 -4.87 119.74 114.78 1x3d s LYS 39 Ca 0.37 -2.12 -0.12 0.00 -1.36 0.00 0.00 55.97 52.74 1x3d s LYS 39 Cb 0.08 -1.75 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 1x3d s LYS 39 CO 0.15 -0.23 0.25 0.00 -0.76 0.00 0.00 175.35 174.75 1x3d s ALA 40 N -2.74 3.69 1.00 5.17 0.00 -1.26 -4.76 121.76 122.86 1x3d s ALA 40 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1x3d s ALA 40 Cb 0.04 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1x3d s ALA 40 CO 0.15 0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.83 1x3d n PRO 41 N 2.98 0.07 -3.10 0.00 -0.04 -1.26 -4.96 135.00 128.68 1x3d n PRO 41 Ca -0.15 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 1x3d n PRO 41 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 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 6.35 -0.56 3.54 0.01 -1.26 -5.00 113.70 115.27 1x3d s SER 42 Ca 0.00 -0.22 -0.27 0.00 1.31 0.00 0.00 55.95 56.77 1x3d s SER 42 Cb 0.00 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1x3d s SER 42 CO 0.00 -0.75 1.98 1.51 0.41 0.00 0.00 173.24 176.39 1x3d s ASP 43 N 1.97 5.14 -0.54 2.44 -4.77 -1.26 -4.56 116.67 115.09 1x3d s ASP 43 Ca 0.23 0.60 -0.02 0.00 -3.30 0.00 0.00 52.55 50.07 1x3d s ASP 43 Cb -0.14 -2.52 0.14 0.00 -1.09 0.00 0.00 42.92 39.31 1x3d s ASP 43 CO 0.18 -2.43 0.34 0.54 0.70 0.00 0.00 175.17 174.51 1x3d s ASN 44 N 8.83 5.14 0.00 2.11 2.20 -1.26 -4.79 114.94 127.17 1x3d s ASN 44 Ca 0.75 -2.61 0.00 0.00 -0.94 0.00 0.00 52.86 50.06 1x3d s ASN 44 Cb -0.15 -1.82 0.00 0.00 -2.00 0.00 0.00 41.25 37.28 1x3d s ASN 44 CO 0.23 -0.41 0.00 0.61 -2.94 0.00 0.00 177.10 174.59 1x3d n GLY 45 N 3.79 2.23 2.81 0.45 0.00 -1.26 -4.81 105.19 108.40 1x3d n GLY 45 Ca 0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.17 -0.16 1.61 0.01 -1.26 -5.09 113.70 108.97 1x3d s SER 46 Ca 0.00 0.01 -0.37 0.00 1.31 0.00 0.00 55.95 56.90 1x3d s SER 46 Cb 0.00 -0.10 -0.14 0.00 0.21 0.00 0.00 66.02 66.00 1x3d s SER 46 CO 0.00 -0.09 1.80 2.29 0.41 0.00 0.00 173.24 177.65 1x3d n LYS 47 N 3.94 1.70 -1.57 12.44 2.85 -1.26 -4.72 118.16 131.55 1x3d n LYS 47 Ca -0.25 0.62 -0.53 0.00 -1.05 0.00 0.00 58.31 57.11 1x3d n LYS 47 Cb 0.52 -2.39 -0.06 0.00 -0.65 0.00 0.00 35.03 32.45 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 4.81 0.23 0.14 0.58 5.41 -1.26 -4.58 119.36 124.70 1x3d n ILE 48 Ca 0.24 -0.06 -0.06 0.00 1.00 0.00 0.00 62.75 63.88 1x3d n ILE 48 Cb 0.22 -0.65 -0.03 0.00 -0.71 0.00 0.00 39.64 38.47 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 3.93 -0.36 -3.98 0.38 4.20 -1.25 -3.48 115.11 114.55 1x3d h GLN 49 Ca -0.47 0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.12 1x3d h GLN 49 Cb 1.36 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 29.12 1x3d h GLN 49 CO 0.73 -0.24 -0.26 0.54 -0.67 0.00 0.00 178.83 178.93 1x3d s ASN 50 N -3.24 0.16 -0.07 1.46 6.03 -1.22 -4.81 114.94 113.25 1x3d s ASN 50 Ca -0.06 -1.15 -0.05 0.00 -1.03 0.00 0.00 52.86 50.57 1x3d s ASN 50 Cb 0.01 0.55 -0.04 0.00 -3.03 0.00 0.00 41.25 38.73 1x3d s ASN 50 CO 0.17 -1.10 0.16 -0.36 -2.03 0.00 0.00 177.10 173.94 1x3d s PHE 51 N -3.87 3.58 -0.17 1.54 0.08 -0.38 -3.33 117.98 115.43 1x3d s PHE 51 Ca 0.28 0.46 0.01 0.00 0.12 0.00 0.00 56.93 57.80 1x3d s PHE 51 Cb 0.01 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1x3d s PHE 51 CO 0.12 0.70 -0.16 0.08 -0.10 0.00 0.00 175.22 175.86 1x3d s VAL 52 N -1.16 1.83 0.19 -0.44 1.01 -0.91 -1.99 120.40 118.94 1x3d s VAL 52 Ca 0.20 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1x3d s VAL 52 Cb -0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1x3d s VAL 52 CO 0.10 0.44 0.06 -0.22 0.00 0.00 0.00 175.10 175.48 1x3d s LEU 53 N 1.37 3.48 -0.01 3.92 2.96 0.23 -2.69 118.68 127.94 1x3d s LEU 53 Ca 0.04 -0.34 -0.16 0.00 -0.22 0.00 0.00 54.13 53.45 1x3d s LEU 53 Cb -0.14 -2.09 0.03 0.00 0.50 0.00 0.00 46.19 44.48 1x3d s LEU 53 CO -0.11 0.06 0.33 -1.61 -1.32 0.00 0.00 176.35 173.70 1x3d s GLU 54 N -3.17 0.71 0.10 1.98 2.02 -1.10 -1.85 118.70 117.38 1x3d s GLU 54 Ca 0.29 -0.21 -0.21 0.00 0.02 0.00 0.00 54.97 54.87 1x3d s GLU 54 Cb -0.09 0.31 0.05 0.00 0.10 0.00 0.00 34.13 34.51 1x3d s GLU 54 CO 0.21 -0.20 0.50 1.67 0.02 0.00 0.00 175.26 177.46 1x3d s TRP 55 N -1.47 -0.39 -0.54 1.61 1.48 -0.89 -2.15 118.94 116.58 1x3d s TRP 55 Ca -0.12 0.27 0.05 0.00 -1.06 0.00 0.00 56.10 55.23 1x3d s TRP 55 Cb -0.04 0.37 0.33 0.00 -1.16 0.00 0.00 33.47 32.96 1x3d s TRP 55 CO 0.04 -0.71 1.13 -0.40 -4.06 0.00 0.00 176.95 172.95 1x3d n ASP 56 N 0.04 3.09 -2.07 -2.66 5.68 -1.23 -2.33 116.55 117.07 1x3d n ASP 56 Ca -0.17 -2.47 -0.11 0.00 -0.50 0.00 0.00 54.79 51.53 1x3d n ASP 56 Cb 0.62 -0.60 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.13 -1.95 -1.89 0.11 1.02 -1.26 -0.21 120.64 116.59 1x3d n GLU 57 Ca 0.16 0.57 -0.17 0.00 -0.02 0.00 0.00 57.16 57.70 1x3d n GLU 57 Cb 0.75 -5.03 -0.05 0.00 -0.02 0.00 0.00 31.44 27.09 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 -0.58 0.73 0.21 0.62 0.00 -1.26 -4.88 105.19 100.04 1x3d n GLY 58 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1x3d n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3d h LYS 59 N 0.00 -0.46 0.00 1.61 1.57 -0.82 -3.43 116.57 115.04 1x3d h LYS 59 Ca -0.38 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1x3d h LYS 59 Cb 1.20 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1x3d h LYS 59 CO 0.50 -0.31 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 1x3d n GLY 60 N 0.37 1.12 0.00 3.86 0.00 -1.26 -5.05 105.19 104.23 1x3d n GLY 60 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 3.58 0.00 1.61 0.23 -1.26 -5.04 115.26 114.38 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1x3d n ASN 61 Cb 0.00 0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x3d n GLY 62 N 2.52 2.65 3.55 4.83 0.00 -1.26 -5.04 105.19 112.44 1x3d n GLY 62 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1x3d n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x3d n GLU 63 N -0.81 1.48 -3.33 1.61 -0.58 -1.26 -4.82 120.64 112.92 1x3d n GLU 63 Ca 0.00 0.34 -0.38 0.00 -0.42 0.00 0.00 57.16 56.70 1x3d n GLU 63 Cb 0.00 -3.04 -0.06 0.00 -0.57 0.00 0.00 31.44 27.76 1x3d n GLU 63 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x3d s PHE 64 N 8.99 3.46 0.06 -0.32 0.08 -1.26 -3.93 117.98 125.05 1x3d s PHE 64 Ca 1.04 0.79 0.05 0.00 0.12 0.00 0.00 56.93 58.93 1x3d s PHE 64 Cb -0.46 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.42 1x3d s PHE 64 CO 0.37 0.09 -0.15 0.00 -0.10 0.00 0.00 175.22 175.43 1x3d n GLN 66 N 1.63 2.13 -0.02 0.00 7.27 -1.26 -2.10 117.38 125.02 1x3d n GLN 66 Ca -0.19 0.77 -0.03 0.00 0.07 0.00 0.00 57.00 57.62 1x3d n GLN 66 Cb 0.54 -2.55 -0.02 0.00 2.41 0.00 0.00 30.24 30.62 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 -2.08 0.07 -0.12 0.00 6.14 -1.25 -5.03 117.35 115.08 1x3d s TYR 68 Ca -0.05 0.13 -0.04 0.00 0.64 0.00 0.00 57.07 57.75 1x3d s TYR 68 Cb 0.01 -0.29 0.05 0.00 0.42 0.00 0.00 41.96 42.15 1x3d s TYR 68 CO 0.09 -0.11 0.10 1.41 0.64 0.00 0.00 175.55 177.68 1x3d s MET 69 N 1.22 0.02 0.00 4.97 1.75 -1.26 -0.60 119.30 125.40 1x3d s MET 69 Ca -0.07 0.18 0.00 0.00 -1.25 0.00 0.00 55.69 54.54 1x3d s MET 69 Cb -0.13 -1.15 0.00 0.00 2.84 0.00 0.00 34.83 36.40 1x3d s MET 69 CO -0.03 -0.51 0.00 0.41 -0.65 0.00 0.00 175.02 174.24 1x3d n GLY 70 N 5.30 -1.35 0.10 2.11 0.00 -0.84 -4.95 105.19 105.55 1x3d n GLY 70 Ca -0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.11 -1.88 1.61 0.87 -1.88 -1.01 113.55 111.15 1x3d h SER 71 Ca 0.00 -0.33 -0.54 0.00 -1.23 0.00 0.00 61.79 59.69 1x3d h SER 71 Cb 0.00 0.03 0.24 0.00 -0.44 0.00 0.00 62.40 62.23 1x3d h SER 71 CO 0.00 0.29 -1.97 0.00 -0.53 0.00 0.00 176.83 174.62 1x3d n GLN 72 N -4.96 -0.02 -0.09 2.24 6.02 -1.26 -4.69 117.38 114.61 1x3d n GLN 72 Ca -0.09 -0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.93 1x3d n GLN 72 Cb 0.23 -1.03 0.04 0.00 1.02 0.00 0.00 30.24 30.50 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 2.35 1.56 -4.46 -1.09 5.02 -1.26 -4.78 118.16 115.50 1x3d n LYS 73 Ca -0.02 -1.62 -0.21 0.00 -2.02 0.00 0.00 58.31 54.44 1x3d n LYS 73 Cb 0.59 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.30 1.13 -0.08 1.97 -0.44 -1.26 -2.59 119.66 117.09 1x3d s GLN 74 Ca 0.10 -0.35 -0.07 0.00 -2.50 0.00 0.00 55.36 52.54 1x3d s GLN 74 Cb 0.09 -1.03 0.02 0.00 -1.64 0.00 0.00 33.01 30.45 1x3d s GLN 74 CO 0.01 0.12 0.22 0.12 0.50 0.00 0.00 175.29 176.26 1x3d s PHE 75 N 0.23 -0.25 -0.27 1.67 5.36 -1.11 -5.04 117.98 118.57 1x3d s PHE 75 Ca -0.04 0.60 0.03 0.00 -0.96 0.00 0.00 56.93 56.56 1x3d s PHE 75 Cb -0.10 0.07 0.06 0.00 -0.34 0.00 0.00 43.02 42.72 1x3d s PHE 75 CO 0.01 -0.13 -0.09 0.21 -1.46 0.00 0.00 175.22 173.76 1x3d s LYS 76 N 0.30 2.17 -0.63 10.12 2.20 -1.26 -1.76 119.74 130.88 1x3d s LYS 76 Ca -0.02 -1.40 -0.25 0.00 -0.36 0.00 0.00 55.97 53.94 1x3d s LYS 76 Cb -0.03 -2.93 0.04 0.00 -1.51 0.00 0.00 37.83 33.40 1x3d s LYS 76 CO -0.01 -0.61 1.08 0.42 -0.36 0.00 0.00 175.35 175.87 1x3d s ILE 77 N 1.09 4.13 0.74 5.43 1.01 -0.08 -4.86 121.20 128.67 1x3d s ILE 77 Ca -0.07 0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.84 1x3d s ILE 77 Cb -0.20 -4.71 0.14 0.00 0.01 0.00 0.00 42.46 37.71 1x3d s ILE 77 CO -0.05 -1.44 1.02 0.42 0.00 0.00 0.00 174.94 174.89 1x3d s THR 78 N 4.62 2.02 -0.92 2.92 -4.23 -1.26 -1.37 115.64 117.41 1x3d s THR 78 Ca 0.32 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1x3d s THR 78 Cb -0.12 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1x3d s THR 78 CO 0.17 0.00 0.77 0.29 -0.54 0.00 0.00 174.62 175.31 1x3d n LYS 79 N -2.88 -5.12 -4.70 3.99 5.02 -1.00 -4.86 118.16 108.61 1x3d n LYS 79 Ca 0.17 0.65 -0.32 0.00 -2.02 0.00 0.00 58.31 56.78 1x3d n LYS 79 Cb 0.61 -5.06 -0.07 0.00 -0.02 0.00 0.00 35.03 30.48 1x3d n LYS 79 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x3d s LEU 80 N -5.35 2.33 0.14 -0.35 1.43 -1.19 -4.97 118.68 110.72 1x3d s LEU 80 Ca 0.03 -1.62 0.10 0.00 -1.03 0.00 0.00 54.13 51.61 1x3d s LEU 80 Cb -0.01 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1x3d s LEU 80 CO 0.56 -0.86 -0.23 -0.44 0.23 0.00 0.00 176.35 175.60 1x3d s SER 81 N -3.90 2.99 0.39 2.29 0.01 -1.20 -3.88 113.70 110.40 1x3d s SER 81 Ca 0.08 -0.78 -0.26 0.00 1.31 0.00 0.00 55.95 56.30 1x3d s SER 81 Cb 0.01 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 1x3d s SER 81 CO 0.04 0.09 1.19 -2.16 0.41 0.00 0.00 173.24 172.82 1x3d s PRO 82 N -2.29 4.11 -0.85 12.44 0.04 -0.33 -3.39 135.00 144.73 1x3d s PRO 82 Ca 0.14 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 1x3d s PRO 82 Cb -0.09 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1x3d s PRO 82 CO 0.06 -0.29 0.37 0.00 0.04 0.00 0.00 177.00 177.19 1x3d n ALA 83 N 0.23 -0.56 -3.77 8.56 0.00 -1.25 -5.00 120.51 118.72 1x3d n ALA 83 Ca 0.03 0.17 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 1x3d n ALA 83 Cb 0.46 -2.49 -0.11 0.00 0.00 0.00 0.00 19.45 17.31 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 -5.23 2.09 -0.03 0.00 0.00 -1.22 -4.96 119.30 109.95 1x3d s MET 84 Ca 0.19 -1.95 -0.30 0.00 0.00 0.00 0.00 55.69 53.63 1x3d s MET 84 Cb -0.08 -3.60 -0.06 0.00 0.00 0.00 0.00 34.83 31.08 1x3d s MET 84 CO 0.23 -1.09 1.71 0.20 0.00 0.00 0.00 175.02 176.07 1x3d s GLY 85 N 1.60 1.53 -0.04 2.11 0.00 -1.26 -3.82 107.32 107.44 1x3d s GLY 85 Ca 0.10 1.03 0.02 0.00 0.00 0.00 0.00 44.72 45.87 1x3d s GLY 85 CO -0.04 3.10 -0.08 0.00 0.00 0.00 0.00 173.10 176.08 1x3d s LYS 87 N 0.53 3.48 0.17 0.00 1.02 -1.26 -1.63 119.74 122.04 1x3d s LYS 87 Ca -0.08 -0.50 -0.05 0.00 0.02 0.00 0.00 55.97 55.35 1x3d s LYS 87 Cb -0.12 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1x3d s LYS 87 CO 0.01 0.34 0.20 -0.06 -0.92 0.00 0.00 175.35 174.91 1x3d s PHE 88 N -2.05 0.69 -0.23 3.18 0.40 -0.61 -3.49 117.98 115.87 1x3d s PHE 88 Ca 0.37 -1.03 -0.17 0.00 -0.60 0.00 0.00 56.93 55.50 1x3d s PHE 88 Cb -0.10 -0.26 0.06 0.00 0.51 0.00 0.00 43.02 43.23 1x3d s PHE 88 CO 0.31 -0.67 0.58 -0.98 0.70 0.00 0.00 175.22 175.17 1x3d s ARG 89 N -4.03 0.64 0.02 0.44 1.70 -0.92 -2.39 118.95 114.40 1x3d s ARG 89 Ca 0.24 0.92 0.03 0.00 -0.47 0.00 0.00 55.73 56.45 1x3d s ARG 89 Cb 0.05 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1x3d s ARG 89 CO 0.04 -0.11 -0.05 -1.17 -1.08 0.00 0.00 175.30 172.92 1x3d s LEU 90 N 0.88 3.25 -0.18 -1.89 2.96 -1.26 -2.72 118.68 119.71 1x3d s LEU 90 Ca -0.05 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.56 1x3d s LEU 90 Cb -0.05 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.80 1x3d s LEU 90 CO -0.07 0.26 0.49 -0.94 -1.32 0.00 0.00 176.35 174.77 1x3d s SER 91 N -1.59 -0.52 -0.11 3.68 1.04 -1.09 -0.83 113.70 114.26 1x3d s SER 91 Ca 0.19 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.55 1x3d s SER 91 Cb -0.11 0.99 -0.04 0.00 0.10 0.00 0.00 66.02 66.96 1x3d s SER 91 CO 0.10 -0.17 0.08 0.00 0.98 0.00 0.00 173.24 174.22 1x3d s ALA 92 N 0.39 3.61 -0.06 5.32 0.00 -1.26 -2.13 121.76 127.62 1x3d s ALA 92 Ca -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1x3d s ALA 92 Cb -0.04 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1x3d s ALA 92 CO -0.01 0.56 -0.13 0.50 0.00 0.00 0.00 175.76 176.67 1x3d s ARG 93 N -0.82 1.75 0.42 0.00 3.52 -1.21 -0.24 118.95 122.37 1x3d s ARG 93 Ca 0.13 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 1x3d s ARG 93 Cb -0.12 -1.45 0.01 0.00 -1.56 0.00 0.00 34.95 31.83 1x3d s ARG 93 CO 0.03 0.07 0.07 0.27 -0.81 0.00 0.00 175.30 174.92 1x3d n ASN 94 N 3.68 3.00 -0.31 -2.12 0.23 -0.86 -0.74 115.26 118.15 1x3d n ASN 94 Ca -0.22 -2.76 0.22 0.00 -0.53 0.00 0.00 54.58 51.29 1x3d n ASN 94 Cb 0.52 0.23 0.41 0.00 -2.08 0.00 0.00 39.78 38.85 1x3d n ASN 94 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1x3d n ASP 95 N -1.37 0.10 0.00 0.53 9.92 -1.26 -1.49 116.55 122.98 1x3d n ASP 95 Ca -0.14 1.56 0.00 0.00 -0.53 0.00 0.00 54.79 55.68 1x3d n ASP 95 Cb 0.52 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1x3d n ASP 95 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1x3d n TYR 96 N -5.24 0.00 -3.95 1.24 4.02 -1.26 -5.03 117.16 106.94 1x3d n TYR 96 Ca 0.28 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.19 1x3d n TYR 96 Cb 0.95 -0.48 0.01 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.48 0.37 3.70 2.72 0.00 -0.55 -5.01 105.19 105.93 1x3d n GLY 97 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.07 4.68 0.50 2.61 2.01 -1.26 -2.04 115.64 120.08 1x3d s THR 98 Ca 0.20 1.94 -0.13 0.00 0.31 0.00 0.00 61.69 64.01 1x3d s THR 98 Cb -0.01 -4.24 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 1x3d s THR 98 CO -0.00 0.07 0.93 -0.94 -0.69 0.00 0.00 174.62 173.98 1x3d s SER 99 N 1.11 6.50 0.65 3.53 1.04 0.66 -4.94 113.70 122.26 1x3d s SER 99 Ca 0.52 1.39 -0.15 0.00 0.48 0.00 0.00 55.95 58.18 1x3d s SER 99 Cb -0.21 -2.44 -0.13 0.00 0.10 0.00 0.00 66.02 63.34 1x3d s SER 99 CO 0.23 -0.59 -0.41 0.61 0.98 0.00 0.00 173.24 174.06 1x3d n GLY 100 N -1.76 -3.43 3.85 7.32 0.00 -1.26 -4.40 105.19 105.51 1x3d n GLY 100 Ca 0.05 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.73 3.51 1.11 1.61 0.40 -1.26 -4.56 117.98 117.05 1x3d s PHE 101 Ca 0.42 1.09 -0.19 0.00 -0.60 0.00 0.00 56.93 57.65 1x3d s PHE 101 Cb -0.29 -2.41 0.29 0.00 0.51 0.00 0.00 43.02 41.11 1x3d s PHE 101 CO 0.65 0.30 0.70 -1.13 0.70 0.00 0.00 175.22 176.43 1x3d n SER 102 N 0.26 -3.41 -4.69 1.36 3.41 -0.01 -4.91 113.62 105.63 1x3d n SER 102 Ca -0.01 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 1x3d n SER 102 Cb 0.52 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 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 -4.65 4.36 -0.12 4.33 2.02 -1.26 -4.79 118.70 118.59 1x3d s GLU 103 Ca 0.52 1.65 -0.38 0.00 0.02 0.00 0.00 54.97 56.77 1x3d s GLU 103 Cb -0.09 -3.55 -0.16 0.00 0.10 0.00 0.00 34.13 30.44 1x3d s GLU 103 CO 0.43 -0.42 1.59 0.39 0.02 0.00 0.00 175.26 177.27 1x3d n GLU 104 N 5.11 1.21 -4.71 1.61 1.02 -1.26 -4.86 120.64 118.76 1x3d n GLU 104 Ca 0.11 0.44 -0.33 0.00 -0.02 0.00 0.00 57.16 57.36 1x3d n GLU 104 Cb 0.46 -2.12 -0.13 0.00 -0.02 0.00 0.00 31.44 29.63 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 2.32 3.30 -0.17 2.62 -7.23 -1.01 -4.97 120.40 115.27 1x3d s VAL 105 Ca 0.92 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 60.42 1x3d s VAL 105 Cb -1.00 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 1x3d s VAL 105 CO 0.57 0.54 0.11 -0.22 -0.31 0.00 0.00 175.10 175.80 1x3d s LEU 106 N -0.02 4.16 0.02 1.32 2.96 -1.26 -1.57 118.68 124.29 1x3d s LEU 106 Ca -0.02 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 1x3d s LEU 106 Cb -0.14 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1x3d s LEU 106 CO 0.04 0.26 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.92 1x3d s TYR 107 N -0.10 0.77 -0.26 5.38 2.02 -0.65 -5.00 117.35 119.52 1x3d s TYR 107 Ca 0.09 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1x3d s TYR 107 Cb -0.12 -0.47 0.06 0.00 -0.40 0.00 0.00 41.96 41.04 1x3d s TYR 107 CO 0.00 -0.02 -0.07 0.71 -1.57 0.00 0.00 175.55 174.60 1x3d s TYR 108 N -0.76 2.90 0.61 2.71 1.51 -1.26 -0.62 117.35 122.43 1x3d s TYR 108 Ca -0.02 -2.12 -0.17 0.00 -1.01 0.00 0.00 57.07 53.75 1x3d s TYR 108 Cb -0.06 -1.84 -0.14 0.00 -0.11 0.00 0.00 41.96 39.80 1x3d s TYR 108 CO 0.00 -0.84 -0.30 0.25 -1.11 0.00 0.00 175.55 173.55 1x3d n THR 109 N 4.53 0.00 -1.57 -0.71 -2.24 -1.25 -4.72 114.28 108.33 1x3d n THR 109 Ca -0.12 -0.48 -0.48 0.00 -2.27 0.00 0.00 64.05 60.71 1x3d n THR 109 Cb 0.43 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 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 2.65 1.10 0.00 3.42 2.88 -1.10 -3.90 113.62 118.68 1x3d n SER 110 Ca 0.05 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1x3d n SER 110 Cb 0.47 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 1.76 -0.57 3.56 0.46 0.00 -1.26 -4.11 105.19 105.02 1x3d n GLY 111 Ca 0.14 0.61 -0.40 0.00 0.00 0.00 0.00 46.02 46.37 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 6.52 6.15 -0.55 0.00 0.15 -1.26 -4.96 113.70 119.75 1x3d s SER 113 Ca 0.59 -3.69 0.04 0.00 0.70 0.00 0.00 55.95 53.59 1x3d s SER 113 Cb -0.12 -1.94 0.15 0.00 -1.71 0.00 0.00 66.02 62.40 1x3d s SER 113 CO 0.21 -0.20 0.36 -0.83 1.20 0.00 0.00 173.24 173.98 1x3d s GLY 114 N 0.05 2.22 0.45 9.45 0.00 -1.26 -5.11 107.32 113.13 1x3d s GLY 114 Ca 0.28 -3.17 -0.23 0.00 0.00 0.00 0.00 44.72 41.60 1x3d s GLY 114 CO -0.12 1.37 1.17 2.56 0.00 0.00 0.00 173.10 178.08 1x3d s PRO 115 N -0.50 3.80 0.03 2.90 0.04 -1.26 -5.05 135.00 134.96 1x3d s PRO 115 Ca 0.23 1.79 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1x3d s PRO 115 Cb -0.12 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1x3d s PRO 115 CO -0.09 -0.52 -0.10 0.45 0.04 0.00 0.00 177.00 176.78 1x3d s SER 116 N -1.32 4.40 -0.18 6.66 0.15 -1.26 -5.05 113.70 117.10 1x3d s SER 116 Ca 0.63 -0.25 -0.18 0.00 0.70 0.00 0.00 55.95 56.84 1x3d s SER 116 Cb -0.29 -0.93 -0.14 0.00 -1.71 0.00 0.00 66.02 62.95 1x3d s SER 116 CO 0.35 0.25 0.15 -1.28 1.20 0.00 0.00 173.24 173.92 1x3d h SER 117 N 4.33 0.00 0.00 5.45 0.87 -2.08 -3.58 113.55 118.54 1x3d h SER 117 Ca -0.48 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1x3d h SER 117 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1x3d h SER 117 CO 0.52 1.20 0.00 0.61 -0.53 0.00 0.00 176.83 178.63