#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3d n SER 2 N 0.00 -2.06 -0.12 1.61 3.41 -1.26 -4.82 113.62 110.39 1x3d n SER 2 Ca 0.00 -1.13 -0.22 0.00 -0.26 0.00 0.00 58.87 57.26 1x3d n SER 2 Cb 0.00 -2.22 -0.10 0.00 -0.26 0.00 0.00 64.21 61.64 1x3d n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x3d n SER 3 N -2.63 1.93 0.00 4.04 3.41 -1.26 -5.10 113.62 114.01 1x3d n SER 3 Ca 0.02 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1x3d n SER 3 Cb 0.51 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1x3d n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3d n GLY 4 N 1.83 4.15 3.35 5.00 0.00 -1.26 -5.19 105.19 113.06 1x3d n GLY 4 Ca -0.46 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1x3d n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3d s SER 5 N 1.65 -0.12 -0.13 1.61 0.01 -1.26 -5.17 113.70 110.30 1x3d s SER 5 Ca 0.00 -0.53 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 1x3d s SER 5 Cb 0.00 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.75 1x3d s SER 5 CO 0.00 -0.88 0.30 -0.55 0.41 0.00 0.00 173.24 172.52 1x3d s SER 6 N -2.86 -0.14 -0.51 2.44 0.15 -1.26 -5.10 113.70 106.41 1x3d s SER 6 Ca 0.08 0.66 -0.27 0.00 0.70 0.00 0.00 55.95 57.12 1x3d s SER 6 Cb 0.02 0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 1x3d s SER 6 CO -0.07 -0.20 2.10 -0.83 1.20 0.00 0.00 173.24 175.43 1x3d s GLY 7 N 1.74 0.02 -0.91 9.45 0.00 -1.26 -4.91 107.32 111.45 1x3d s GLY 7 Ca -0.06 -0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 1x3d s GLY 7 CO -0.10 3.72 1.22 0.00 0.00 0.00 0.00 173.10 177.94 1x3d s ALA 8 N 10.07 3.08 0.05 3.20 0.00 -1.26 -4.97 121.76 131.92 1x3d s ALA 8 Ca 0.83 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1x3d s ALA 8 Cb -0.17 -4.20 -0.03 0.00 0.00 0.00 0.00 23.12 18.72 1x3d s ALA 8 CO 0.25 -3.19 -0.05 -2.00 0.00 0.00 0.00 175.76 170.77 1x3d s GLU 9 N 3.82 0.53 -0.20 0.00 2.12 -1.26 -5.10 118.70 118.60 1x3d s GLU 9 Ca 0.36 -0.94 -0.37 0.00 0.36 0.00 0.00 54.97 54.39 1x3d s GLU 9 Cb -0.05 0.01 -0.13 0.00 0.26 0.00 0.00 34.13 34.22 1x3d s GLU 9 CO -0.06 -0.04 1.87 -0.89 -0.54 0.00 0.00 175.26 175.60 1x3d n ILE 10 N 0.86 0.43 -3.61 -3.70 5.41 -1.26 -4.93 119.36 112.57 1x3d n ILE 10 Ca -0.19 -0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.33 1x3d n ILE 10 Cb 0.58 -1.60 -0.07 0.00 -0.71 0.00 0.00 39.64 37.84 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 4.34 -0.59 0.10 1.39 2.19 -1.26 -5.06 117.98 119.09 1x3d s PHE 11 Ca 0.97 1.33 -0.20 0.00 0.33 0.00 0.00 56.93 59.37 1x3d s PHE 11 Cb -0.86 0.35 -0.05 0.00 -1.31 0.00 0.00 43.02 41.16 1x3d s PHE 11 CO 0.57 -0.36 1.16 0.25 1.83 0.00 0.00 175.22 178.67 1x3d n THR 12 N 1.94 -0.44 -0.92 0.12 -2.24 -1.26 -4.51 114.28 106.97 1x3d n THR 12 Ca -0.14 1.81 -0.35 0.00 -2.27 0.00 0.00 64.05 63.10 1x3d n THR 12 Cb 0.56 -2.26 0.07 0.00 -2.10 0.00 0.00 70.33 66.60 1x3d n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x3d n THR 13 N -4.56 0.00 -3.72 4.28 -2.24 -1.26 -3.08 114.28 103.70 1x3d n THR 13 Ca 0.01 -0.36 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 1x3d n THR 13 Cb 0.17 -0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.75 -3.11 -3.81 3.22 7.99 -1.26 -4.97 117.00 116.81 1x3d n LEU 14 Ca 0.01 -0.74 -0.30 0.00 -0.01 0.00 0.00 56.01 54.96 1x3d n LEU 14 Cb 0.57 -2.74 -0.15 0.00 -0.11 0.00 0.00 43.42 40.99 1x3d n LEU 14 CO 0.51 0.46 -0.31 -0.44 -1.51 0.00 0.00 177.39 176.10 1x3d s SER 15 N -3.91 4.17 0.23 -1.43 0.01 -1.18 -4.89 113.70 106.71 1x3d s SER 15 Ca 0.28 -2.04 -0.08 0.00 1.31 0.00 0.00 55.95 55.42 1x3d s SER 15 Cb -0.13 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1x3d s SER 15 CO 0.80 -0.37 0.35 0.00 0.41 0.00 0.00 173.24 174.43 1x3d n GLU 17 N -0.34 0.00 -0.62 0.00 0.00 -1.26 -4.87 120.64 113.55 1x3d n GLU 17 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.98 1x3d n GLU 17 Cb 0.63 -0.83 0.15 0.00 0.00 0.00 0.00 31.44 31.39 1x3d n GLU 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1x3d n PRO 18 N 1.14 -2.31 -2.51 3.44 -0.04 -1.26 -4.93 135.00 128.53 1x3d n PRO 18 Ca 0.09 -1.04 -0.31 0.00 -0.04 0.00 0.00 63.50 62.19 1x3d n PRO 18 Cb 0.35 -0.98 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1x3d n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x3d s ASP 19 N -3.26 6.54 -0.32 3.54 1.11 -1.26 -4.55 116.67 118.46 1x3d s ASP 19 Ca 0.42 1.38 -0.29 0.00 0.18 0.00 0.00 52.55 54.25 1x3d s ASP 19 Cb -0.04 -2.43 -0.01 0.00 1.07 0.00 0.00 42.92 41.51 1x3d s ASP 19 CO 0.33 -0.55 1.52 -0.63 1.18 0.00 0.00 175.17 177.01 1x3d s ILE 20 N -2.60 3.81 0.32 0.77 1.01 -1.26 -4.74 121.20 118.52 1x3d s ILE 20 Ca 0.55 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.79 1x3d s ILE 20 Cb -0.10 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 1x3d s ILE 20 CO 0.34 -0.51 1.23 -2.16 0.00 0.00 0.00 174.94 173.83 1x3d s PRO 21 N 4.86 4.43 0.85 2.79 0.04 -1.26 -4.94 135.00 141.77 1x3d s PRO 21 Ca 0.67 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.60 1x3d s PRO 21 Cb -0.19 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1x3d s PRO 21 CO 0.30 -0.06 0.26 0.27 0.04 0.00 0.00 177.00 177.81 1x3d n ASN 22 N 0.88 -2.37 -4.77 6.66 6.94 -1.26 -4.28 115.26 117.06 1x3d n ASN 22 Ca -0.00 0.42 -0.37 0.00 -0.02 0.00 0.00 54.58 54.61 1x3d n ASN 22 Cb 0.43 -1.13 -0.01 0.00 -2.36 0.00 0.00 39.78 36.71 1x3d n ASN 22 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1x3d s PRO 23 N -2.95 3.69 0.46 -0.53 0.04 -1.26 -4.82 135.00 129.63 1x3d s PRO 23 Ca 0.58 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 63.13 1x3d s PRO 23 Cb -0.27 -2.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.86 1x3d s PRO 23 CO 0.66 -0.60 1.16 -1.25 0.04 0.00 0.00 177.00 177.01 1x3d s PRO 24 N -2.80 3.75 0.41 0.56 0.04 -1.26 -4.94 135.00 130.76 1x3d s PRO 24 Ca 0.65 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.53 1x3d s PRO 24 Cb -0.28 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1x3d s PRO 24 CO 0.33 -0.56 0.34 -0.98 0.04 0.00 0.00 177.00 176.17 1x3d s ARG 25 N -2.72 2.50 -0.22 4.56 1.70 0.54 -4.87 118.95 120.44 1x3d s ARG 25 Ca 0.64 -1.56 -0.13 0.00 -0.47 0.00 0.00 55.73 54.20 1x3d s ARG 25 Cb -0.28 -2.33 -0.04 0.00 -0.57 0.00 0.00 34.95 31.72 1x3d s ARG 25 CO 0.34 -0.16 0.28 0.42 -1.08 0.00 0.00 175.30 175.11 1x3d s ILE 26 N -2.48 5.28 -0.06 4.99 -1.09 -1.26 -0.59 121.20 125.99 1x3d s ILE 26 Ca 0.46 0.45 0.13 0.00 -2.23 0.00 0.00 60.65 59.46 1x3d s ILE 26 Cb -0.02 -3.62 -0.19 0.00 -1.58 0.00 0.00 42.46 37.05 1x3d s ILE 26 CO 0.27 0.30 0.30 0.00 -1.23 0.00 0.00 174.94 174.58 1x3d n ALA 27 N 4.37 2.56 -3.20 9.38 0.00 -1.01 -4.95 120.51 127.66 1x3d n ALA 27 Ca -0.12 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.06 1x3d n ALA 27 Cb 0.52 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -3.36 -0.30 -0.05 0.00 3.84 -1.24 -5.03 114.94 108.80 1x3d s ASN 28 Ca -0.04 0.28 0.04 0.00 0.21 0.00 0.00 52.86 53.35 1x3d s ASN 28 Cb 0.08 1.29 -0.00 0.00 -0.55 0.00 0.00 41.25 42.07 1x3d s ASN 28 CO 0.53 -0.06 -0.19 0.00 -2.79 0.00 0.00 177.10 174.59 1x3d s ARG 29 N 2.64 1.98 0.36 0.43 1.70 -1.26 0.62 118.95 125.42 1x3d s ARG 29 Ca -0.03 -0.66 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1x3d s ARG 29 Cb -0.07 -1.69 0.01 0.00 -0.57 0.00 0.00 34.95 32.63 1x3d s ARG 29 CO -0.13 0.25 0.05 0.25 -1.08 0.00 0.00 175.30 174.64 1x3d n THR 30 N 3.18 0.00 0.24 4.99 -2.24 0.01 -4.48 114.28 115.97 1x3d n THR 30 Ca -0.18 -1.65 0.12 0.00 -2.27 0.00 0.00 64.05 60.07 1x3d n THR 30 Cb 0.53 0.25 0.47 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.39 -0.78 1.57 -1.93 -3.15 116.57 111.90 1x3d h LYS 31 Ca -0.29 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.22 1x3d h LYS 31 Cb 0.89 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.82 1x3d h LYS 31 CO 0.47 0.12 -1.01 0.09 -0.57 0.00 0.00 179.45 178.55 1x3d n ASN 32 N -3.22 2.11 -3.59 0.86 4.13 -1.26 -0.44 115.26 113.84 1x3d n ASN 32 Ca 0.01 -2.45 -0.04 0.00 1.68 0.00 0.00 54.58 53.78 1x3d n ASN 32 Cb 0.42 -0.42 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 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 -3.41 -0.16 -0.22 6.41 0.01 -1.23 -2.25 113.70 112.85 1x3d s SER 33 Ca 0.33 -0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.47 1x3d s SER 33 Cb 0.35 0.20 0.10 0.00 0.21 0.00 0.00 66.02 66.88 1x3d s SER 33 CO -0.05 -0.34 0.47 -0.76 0.41 0.00 0.00 173.24 172.97 1x3d s LEU 34 N -2.41 -0.76 -0.21 2.44 1.43 0.04 -0.81 118.68 118.40 1x3d s LEU 34 Ca 0.10 1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 54.23 1x3d s LEU 34 Cb 0.00 1.57 -0.04 0.00 0.03 0.00 0.00 46.19 47.75 1x3d s LEU 34 CO -0.05 -0.23 0.09 -0.89 0.23 0.00 0.00 176.35 175.50 1x3d s THR 35 N 2.68 4.81 -0.03 5.49 2.01 0.20 -0.18 115.64 130.62 1x3d s THR 35 Ca -0.02 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.02 1x3d s THR 35 Cb -0.12 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1x3d s THR 35 CO -0.14 0.40 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.21 1x3d s LEU 36 N 0.81 2.02 0.00 4.42 1.43 -1.20 -2.41 118.68 123.76 1x3d s LEU 36 Ca 0.05 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1x3d s LEU 36 Cb -0.13 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1x3d s LEU 36 CO 0.02 0.24 -0.19 -1.10 0.23 0.00 0.00 176.35 175.55 1x3d s GLN 37 N -0.29 1.43 0.29 1.70 -0.21 0.25 -2.94 119.66 119.90 1x3d s GLN 37 Ca 0.02 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.66 1x3d s GLN 37 Cb -0.11 -1.42 -0.01 0.00 1.00 0.00 0.00 33.01 32.47 1x3d s GLN 37 CO 0.01 0.38 0.36 1.67 -2.12 0.00 0.00 175.29 175.60 1x3d s TRP 38 N -0.53 1.08 0.49 0.91 -2.14 -0.86 -0.34 118.94 117.55 1x3d s TRP 38 Ca 0.07 -1.28 0.04 0.00 2.66 0.00 0.00 56.10 57.59 1x3d s TRP 38 Cb -0.07 -0.25 -0.02 0.00 -3.10 0.00 0.00 33.47 30.02 1x3d s TRP 38 CO -0.00 -0.95 0.09 0.15 -2.66 0.00 0.00 176.95 173.57 1x3d s LYS 39 N -3.54 2.16 -0.15 3.25 -0.14 -1.26 -4.82 119.74 115.24 1x3d s LYS 39 Ca 0.33 -2.23 -0.10 0.00 -1.36 0.00 0.00 55.97 52.61 1x3d s LYS 39 Cb 0.02 -1.69 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 1x3d s LYS 39 CO 0.18 -0.32 0.19 0.00 -0.76 0.00 0.00 175.35 174.64 1x3d s ALA 40 N -2.80 3.72 1.14 5.17 0.00 -1.26 -4.87 121.76 122.87 1x3d s ALA 40 Ca 0.19 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1x3d s ALA 40 Cb 0.03 -2.18 0.26 0.00 0.00 0.00 0.00 23.12 21.23 1x3d s ALA 40 CO 0.11 0.30 1.10 -1.25 0.00 0.00 0.00 175.76 176.02 1x3d s PRO 41 N -0.12 -0.75 -0.26 0.00 0.04 -1.26 -4.97 135.00 127.68 1x3d s PRO 41 Ca 0.13 0.11 -0.28 0.00 0.04 0.00 0.00 61.00 61.00 1x3d s PRO 41 Cb -0.12 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.79 1x3d s PRO 41 CO 0.02 -3.43 1.00 0.45 0.04 0.00 0.00 177.00 175.08 1x3d s SER 42 N -3.75 6.98 -1.11 6.66 0.15 -1.26 -4.96 113.70 116.41 1x3d s SER 42 Ca 0.69 1.18 -0.22 0.00 0.70 0.00 0.00 55.95 58.30 1x3d s SER 42 Cb -0.13 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 1x3d s SER 42 CO 0.57 -0.71 1.78 1.51 1.20 0.00 0.00 173.24 177.59 1x3d s ASP 43 N 1.39 5.84 -0.17 5.45 1.47 -1.26 -4.33 116.67 125.07 1x3d s ASP 43 Ca 0.42 -1.60 -0.03 0.00 1.18 0.00 0.00 52.55 52.52 1x3d s ASP 43 Cb -0.14 -2.58 -0.04 0.00 -0.34 0.00 0.00 42.92 39.82 1x3d s ASP 43 CO 0.10 -2.17 2.77 -0.46 0.68 0.00 0.00 175.17 176.09 1x3d n ASN 44 N 11.55 5.78 0.00 2.11 0.23 -1.26 -4.73 115.26 128.94 1x3d n ASN 44 Ca 0.42 -2.75 0.00 0.00 -0.53 0.00 0.00 54.58 51.73 1x3d n ASN 44 Cb 0.47 -1.25 0.00 0.00 -2.08 0.00 0.00 39.78 36.93 1x3d n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x3d n GLY 45 N 1.50 -1.03 3.85 4.83 0.00 -1.26 -4.85 105.19 108.22 1x3d n GLY 45 Ca 0.33 0.48 -0.37 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.00 6.74 0.35 1.61 0.15 -1.26 -5.04 113.70 112.25 1x3d s SER 46 Ca 0.00 0.90 -0.26 0.00 0.70 0.00 0.00 55.95 57.29 1x3d s SER 46 Cb 0.00 -2.22 -0.13 0.00 -1.71 0.00 0.00 66.02 61.96 1x3d s SER 46 CO 0.00 0.27 0.99 1.17 1.20 0.00 0.00 173.24 176.87 1x3d n LYS 47 N 1.49 1.34 -2.36 5.44 4.81 -1.26 -4.78 118.16 122.83 1x3d n LYS 47 Ca -0.12 0.47 -0.43 0.00 -0.87 0.00 0.00 58.31 57.36 1x3d n LYS 47 Cb 0.52 -1.91 -0.02 0.00 0.02 0.00 0.00 35.03 33.64 1x3d n LYS 47 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1x3d s ILE 48 N -1.17 4.03 0.03 3.15 1.01 -1.26 -4.18 121.20 122.81 1x3d s ILE 48 Ca 0.60 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 1x3d s ILE 48 Cb -0.64 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 37.68 1x3d s ILE 48 CO 0.59 -0.51 1.18 1.56 0.00 0.00 0.00 174.94 177.76 1x3d h GLN 49 N 9.78 -0.24 -3.22 2.79 4.20 -1.47 -3.47 115.11 123.48 1x3d h GLN 49 Ca -0.27 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.47 1x3d h GLN 49 Cb 1.11 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.87 1x3d h GLN 49 CO 1.04 -0.16 0.10 0.54 -0.67 0.00 0.00 178.83 179.68 1x3d s ASN 50 N -3.15 -0.24 0.09 1.46 6.03 -1.22 -4.86 114.94 113.06 1x3d s ASN 50 Ca -0.05 -0.63 -0.14 0.00 -1.03 0.00 0.00 52.86 51.00 1x3d s ASN 50 Cb 0.02 0.66 -0.06 0.00 -3.03 0.00 0.00 41.25 38.83 1x3d s ASN 50 CO 0.20 -1.22 0.50 -0.36 -2.03 0.00 0.00 177.10 174.18 1x3d s PHE 51 N -3.93 3.66 -0.31 1.54 0.08 0.27 -3.16 117.98 116.14 1x3d s PHE 51 Ca 0.13 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.25 1x3d s PHE 51 Cb -0.03 -2.34 0.08 0.00 -0.57 0.00 0.00 43.02 40.16 1x3d s PHE 51 CO 0.05 0.52 -0.01 0.08 -0.10 0.00 0.00 175.22 175.75 1x3d s VAL 52 N -1.31 2.27 0.01 -0.44 1.01 -0.72 -2.70 120.40 118.51 1x3d s VAL 52 Ca 0.32 -2.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.20 1x3d s VAL 52 Cb -0.16 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1x3d s VAL 52 CO 0.18 -0.36 0.27 -0.22 0.00 0.00 0.00 175.10 174.97 1x3d s LEU 53 N 0.99 4.37 0.03 3.92 2.96 -0.05 -3.24 118.68 127.67 1x3d s LEU 53 Ca 0.03 0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1x3d s LEU 53 Cb -0.19 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1x3d s LEU 53 CO -0.07 0.25 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.57 1x3d s GLU 54 N -1.74 0.45 0.22 1.98 8.01 -1.04 -0.55 118.70 126.02 1x3d s GLU 54 Ca 0.27 -0.86 -0.18 0.00 0.01 0.00 0.00 54.97 54.21 1x3d s GLU 54 Cb -0.13 0.11 0.03 0.00 -4.31 0.00 0.00 34.13 29.82 1x3d s GLU 54 CO 0.16 -0.06 0.56 1.67 0.01 0.00 0.00 175.26 177.60 1x3d s TRP 55 N -2.39 -0.11 -0.50 1.61 1.48 -1.16 -1.85 118.94 116.03 1x3d s TRP 55 Ca -0.07 -0.25 0.03 0.00 -1.06 0.00 0.00 56.10 54.75 1x3d s TRP 55 Cb -0.03 0.44 0.59 0.00 -1.16 0.00 0.00 33.47 33.31 1x3d s TRP 55 CO -0.04 -0.98 1.92 -0.40 -4.06 0.00 0.00 176.95 173.38 1x3d n ASP 56 N -0.37 4.84 -2.86 -2.66 5.75 -1.19 -2.72 116.55 117.34 1x3d n ASP 56 Ca -0.08 -3.67 -0.12 0.00 -0.01 0.00 0.00 54.79 50.91 1x3d n ASP 56 Cb 0.62 -0.86 -0.02 0.00 -1.03 0.00 0.00 41.12 39.83 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 -1.08 -2.15 -3.97 0.11 1.02 -1.26 0.39 120.64 113.71 1x3d n GLU 57 Ca 0.59 0.04 -0.27 0.00 -0.02 0.00 0.00 57.16 57.50 1x3d n GLU 57 Cb 1.34 -4.04 -0.02 0.00 -0.02 0.00 0.00 31.44 28.70 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 -0.61 -0.26 0.09 0.62 0.00 -1.26 -4.90 105.19 98.86 1x3d n GLY 58 Ca 0.03 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.40 0.51 0.00 1.61 4.76 0.16 -4.72 118.16 116.08 1x3d n LYS 59 Ca -0.25 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1x3d n LYS 59 Cb 0.66 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1x3d n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x3d n GLY 60 N 1.51 1.95 0.01 0.72 0.00 -1.26 -5.03 105.19 103.09 1x3d n GLY 60 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 3.92 0.00 1.61 3.02 -1.26 -5.05 115.26 117.50 1x3d n ASN 61 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1x3d n ASN 61 Cb 0.00 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 3.32 1.70 3.43 7.41 0.00 -1.26 -5.08 105.19 114.71 1x3d n GLY 62 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1x3d n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x3d s GLU 63 N -0.09 3.12 -0.18 1.61 -1.05 -1.26 -5.03 118.70 115.81 1x3d s GLU 63 Ca 0.00 -0.95 -0.16 0.00 -0.15 0.00 0.00 54.97 53.72 1x3d s GLU 63 Cb 0.00 -4.16 -0.04 0.00 -0.44 0.00 0.00 34.13 29.48 1x3d s GLU 63 CO 0.00 -1.43 0.38 -0.06 0.95 0.00 0.00 175.26 175.09 1x3d s PHE 64 N 2.99 3.41 0.12 4.83 0.40 -1.26 -3.84 117.98 124.63 1x3d s PHE 64 Ca 0.17 0.64 0.02 0.00 -0.60 0.00 0.00 56.93 57.16 1x3d s PHE 64 Cb -0.20 -2.48 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 1x3d s PHE 64 CO 0.11 0.08 -0.07 0.00 0.70 0.00 0.00 175.22 176.04 1x3d n GLN 66 N -0.10 1.72 -0.13 0.00 7.27 -1.26 -2.98 117.38 121.90 1x3d n GLN 66 Ca -0.11 0.56 -0.27 0.00 0.07 0.00 0.00 57.00 57.26 1x3d n GLN 66 Cb 0.61 -2.67 -0.09 0.00 2.41 0.00 0.00 30.24 30.50 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 -2.53 -0.20 -0.17 0.00 6.14 -1.14 -5.02 117.35 114.43 1x3d s TYR 68 Ca -0.36 0.53 -0.04 0.00 0.64 0.00 0.00 57.07 57.84 1x3d s TYR 68 Cb 0.13 -0.01 0.06 0.00 0.42 0.00 0.00 41.96 42.56 1x3d s TYR 68 CO 0.46 -0.16 0.06 1.41 0.64 0.00 0.00 175.55 177.96 1x3d s MET 69 N 0.88 0.39 0.00 4.97 1.75 -1.26 -0.87 119.30 125.15 1x3d s MET 69 Ca -0.07 -0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1x3d s MET 69 Cb -0.08 -1.90 0.00 0.00 2.84 0.00 0.00 34.83 35.69 1x3d s MET 69 CO -0.05 -0.63 0.00 0.41 -0.65 0.00 0.00 175.02 174.10 1x3d n GLY 70 N 5.16 2.02 0.13 2.11 0.00 -1.10 -4.96 105.19 108.55 1x3d n GLY 70 Ca -0.08 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 1x3d n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x3d n SER 71 N 0.00 2.02 -4.48 1.61 2.88 -1.26 -0.57 113.62 113.83 1x3d n SER 71 Ca 0.00 0.05 -0.38 0.00 -1.33 0.00 0.00 58.87 57.21 1x3d n SER 71 Cb 0.00 -0.63 0.04 0.00 -0.75 0.00 0.00 64.21 62.87 1x3d n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3d n GLN 72 N -3.49 0.54 -0.73 -1.46 1.13 -1.26 -4.79 117.38 107.32 1x3d n GLN 72 Ca -0.41 0.21 -0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1x3d n GLN 72 Cb 0.98 -1.73 0.25 0.00 0.11 0.00 0.00 30.24 29.86 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 -0.10 2.80 -3.70 -1.09 5.02 -1.26 -4.86 118.16 114.96 1x3d n LYS 73 Ca 0.12 -3.02 -0.11 0.00 -2.02 0.00 0.00 58.31 53.28 1x3d n LYS 73 Cb 0.47 -1.95 -0.11 0.00 -0.02 0.00 0.00 35.03 33.42 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 -3.02 0.37 -0.08 1.97 0.74 -1.26 -2.03 119.66 116.36 1x3d s GLN 74 Ca 0.47 0.73 -0.03 0.00 0.05 0.00 0.00 55.36 56.58 1x3d s GLN 74 Cb 0.39 -0.02 0.04 0.00 1.10 0.00 0.00 33.01 34.53 1x3d s GLN 74 CO 0.08 -0.15 0.15 0.12 -0.55 0.00 0.00 175.29 174.94 1x3d s PHE 75 N 1.29 -0.16 -0.41 1.67 5.36 -1.15 -5.03 117.98 119.54 1x3d s PHE 75 Ca -0.09 0.56 -0.17 0.00 -0.96 0.00 0.00 56.93 56.27 1x3d s PHE 75 Cb -0.08 -0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.39 1x3d s PHE 75 CO -0.11 -0.24 0.45 0.21 -1.46 0.00 0.00 175.22 174.07 1x3d s LYS 76 N 2.00 3.19 -0.59 10.12 2.20 -1.26 -3.21 119.74 132.19 1x3d s LYS 76 Ca 0.00 -0.66 -0.26 0.00 -0.36 0.00 0.00 55.97 54.69 1x3d s LYS 76 Cb -0.12 -3.94 0.04 0.00 -1.51 0.00 0.00 37.83 32.30 1x3d s LYS 76 CO -0.06 -0.82 1.07 0.42 -0.36 0.00 0.00 175.35 175.60 1x3d s ILE 77 N 2.20 4.17 0.41 5.43 1.01 0.75 -4.85 121.20 130.32 1x3d s ILE 77 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1x3d s ILE 77 Cb -0.17 -4.66 0.08 0.00 0.01 0.00 0.00 42.46 37.72 1x3d s ILE 77 CO 0.14 -1.31 0.56 0.35 0.00 0.00 0.00 174.94 174.67 1x3d n THR 78 N 6.36 0.00 -3.40 2.92 -2.24 -1.26 -0.78 114.28 115.87 1x3d n THR 78 Ca 0.04 -0.91 -0.17 0.00 -2.27 0.00 0.00 64.05 60.74 1x3d n THR 78 Cb 0.48 -1.07 0.09 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.02 -6.22 -3.61 -0.78 5.02 -0.95 -4.85 118.16 104.75 1x3d n LYS 79 Ca 0.09 0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 57.03 1x3d n LYS 79 Cb 0.34 -5.83 -0.04 0.00 -0.02 0.00 0.00 35.03 29.47 1x3d n LYS 79 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x3d n LEU 80 N -4.03 0.00 -4.21 -0.35 4.77 -1.14 -4.98 117.00 107.07 1x3d n LEU 80 Ca -0.27 -1.95 -0.18 0.00 -0.03 0.00 0.00 56.01 53.58 1x3d n LEU 80 Cb 0.66 0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.93 1x3d n LEU 80 CO 0.60 -0.28 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.49 1x3d s SER 81 N -2.68 1.84 0.41 -1.43 0.01 -1.20 -4.11 113.70 106.53 1x3d s SER 81 Ca 0.02 -0.73 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 1x3d s SER 81 Cb 0.00 -0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.09 1x3d s SER 81 CO 0.01 -0.12 1.19 -2.16 0.41 0.00 0.00 173.24 172.57 1x3d s PRO 82 N -2.29 4.00 -0.86 12.44 0.04 0.41 -3.54 135.00 145.21 1x3d s PRO 82 Ca 0.04 1.88 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 1x3d s PRO 82 Cb -0.07 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.83 1x3d s PRO 82 CO 0.02 -0.38 0.75 0.00 0.04 0.00 0.00 177.00 177.44 1x3d n ALA 83 N 0.01 -0.89 -3.91 8.56 0.00 -1.24 -5.00 120.51 118.03 1x3d n ALA 83 Ca 0.05 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1x3d n ALA 83 Cb 0.46 -3.50 -0.13 0.00 0.00 0.00 0.00 19.45 16.28 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 -5.73 1.75 -0.28 0.00 0.00 -1.23 -4.94 119.30 108.87 1x3d s MET 84 Ca 0.33 -1.94 -0.29 0.00 0.00 0.00 0.00 55.69 53.80 1x3d s MET 84 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 34.83 31.28 1x3d s MET 84 CO 0.47 -1.01 1.81 0.20 0.00 0.00 0.00 175.02 176.49 1x3d s GLY 85 N 1.14 0.89 -0.04 2.11 0.00 -1.26 -3.79 107.32 106.37 1x3d s GLY 85 Ca 0.11 0.41 0.05 0.00 0.00 0.00 0.00 44.72 45.29 1x3d s GLY 85 CO -0.06 3.28 -0.19 0.00 0.00 0.00 0.00 173.10 176.13 1x3d s LYS 87 N -0.06 3.48 0.09 0.00 1.02 -1.26 -1.72 119.74 121.28 1x3d s LYS 87 Ca -0.02 -0.50 -0.06 0.00 0.02 0.00 0.00 55.97 55.41 1x3d s LYS 87 Cb -0.12 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1x3d s LYS 87 CO 0.02 0.43 0.12 -0.06 -0.92 0.00 0.00 175.35 174.94 1x3d s PHE 88 N -1.88 0.35 -0.17 3.18 0.40 -0.54 -3.17 117.98 116.15 1x3d s PHE 88 Ca 0.36 -0.80 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1x3d s PHE 88 Cb -0.11 -0.19 0.05 0.00 0.51 0.00 0.00 43.02 43.28 1x3d s PHE 88 CO 0.29 -0.51 0.43 -0.98 0.70 0.00 0.00 175.22 175.16 1x3d s ARG 89 N -3.91 0.46 -0.04 0.44 1.70 -0.77 -2.38 118.95 114.45 1x3d s ARG 89 Ca 0.09 0.73 0.01 0.00 -0.47 0.00 0.00 55.73 56.10 1x3d s ARG 89 Cb 0.06 0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1x3d s ARG 89 CO -0.08 -0.12 -0.06 -1.17 -1.08 0.00 0.00 175.30 172.79 1x3d s LEU 90 N 0.93 3.21 -0.13 -1.89 2.96 -1.26 -2.49 118.68 120.01 1x3d s LEU 90 Ca -0.06 -0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.62 1x3d s LEU 90 Cb -0.06 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.92 1x3d s LEU 90 CO -0.08 0.33 0.47 -0.94 -1.32 0.00 0.00 176.35 174.82 1x3d s SER 91 N -1.04 -0.45 -0.17 3.68 1.04 -1.20 -0.63 113.70 114.93 1x3d s SER 91 Ca 0.14 0.74 -0.07 0.00 0.48 0.00 0.00 55.95 57.25 1x3d s SER 91 Cb -0.11 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1x3d s SER 91 CO 0.04 -0.29 0.06 0.00 0.98 0.00 0.00 173.24 174.03 1x3d s ALA 92 N -0.30 3.42 -0.10 5.32 0.00 -1.26 -1.75 121.76 127.09 1x3d s ALA 92 Ca -0.05 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1x3d s ALA 92 Cb -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1x3d s ALA 92 CO 0.03 0.26 -0.23 0.50 0.00 0.00 0.00 175.76 176.32 1x3d s ARG 93 N 0.12 2.91 0.38 0.00 3.52 -1.19 -0.53 118.95 124.16 1x3d s ARG 93 Ca 0.05 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 1x3d s ARG 93 Cb -0.12 -2.21 0.01 0.00 -1.56 0.00 0.00 34.95 31.07 1x3d s ARG 93 CO 0.01 0.17 0.08 0.27 -0.81 0.00 0.00 175.30 175.01 1x3d n ASN 94 N 3.54 2.83 -0.65 -2.12 0.23 -0.69 -1.17 115.26 117.23 1x3d n ASN 94 Ca -0.19 -2.57 0.50 0.00 -0.53 0.00 0.00 54.58 51.79 1x3d n ASN 94 Cb 0.53 0.18 0.81 0.00 -2.08 0.00 0.00 39.78 39.22 1x3d n ASN 94 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1x3d h ASP 95 N 0.78 0.01 0.02 0.53 3.58 -1.87 -1.43 116.42 118.05 1x3d h ASP 95 Ca -0.30 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 1x3d h ASP 95 Cb 0.93 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1x3d h ASP 95 CO 0.48 -0.01 -0.01 1.88 -2.88 0.00 0.00 179.24 178.70 1x3d h TYR 96 N 0.00 -0.02 -1.57 0.28 0.05 -1.93 -3.51 116.97 110.27 1x3d h TYR 96 Ca 0.89 -0.00 0.16 0.00 0.05 0.00 0.00 58.73 59.82 1x3d h TYR 96 Cb 3.53 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 41.25 1x3d h TYR 96 CO -0.00 -0.02 0.40 0.41 -1.05 0.00 0.00 178.16 177.91 1x3d n GLY 97 N 1.44 0.43 3.65 3.88 0.00 -0.54 -4.97 105.19 109.08 1x3d n GLY 97 Ca -0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.08 4.79 0.69 2.61 2.01 -1.26 -1.70 115.64 120.69 1x3d s THR 98 Ca 0.13 1.74 -0.12 0.00 0.31 0.00 0.00 61.69 63.75 1x3d s THR 98 Cb -0.00 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.33 1x3d s THR 98 CO -0.00 -0.10 1.07 -0.94 -0.69 0.00 0.00 174.62 173.96 1x3d s SER 99 N 1.27 5.25 0.39 3.53 1.04 0.31 -4.94 113.70 120.56 1x3d s SER 99 Ca 0.39 1.73 -0.13 0.00 0.48 0.00 0.00 55.95 58.42 1x3d s SER 99 Cb -0.15 -2.51 -0.11 0.00 0.10 0.00 0.00 66.02 63.35 1x3d s SER 99 CO 0.08 -1.53 -0.13 0.61 0.98 0.00 0.00 173.24 173.24 1x3d n GLY 100 N -1.51 -2.42 3.79 7.32 0.00 -1.26 -4.42 105.19 106.69 1x3d n GLY 100 Ca 0.08 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.44 3.69 0.96 1.61 0.40 -1.26 -4.55 117.98 117.39 1x3d s PHE 101 Ca 0.40 1.09 -0.13 0.00 -0.60 0.00 0.00 56.93 57.69 1x3d s PHE 101 Cb -0.34 -2.47 0.04 0.00 0.51 0.00 0.00 43.02 40.76 1x3d s PHE 101 CO 0.49 0.47 0.36 -1.13 0.70 0.00 0.00 175.22 176.10 1x3d n SER 102 N 2.38 -2.20 -4.68 1.36 3.41 0.20 -4.79 113.62 109.29 1x3d n SER 102 Ca -0.10 0.30 -0.47 0.00 -0.26 0.00 0.00 58.87 58.35 1x3d n SER 102 Cb 0.51 -1.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 1x3d n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x3d n GLU 103 N -1.62 2.31 -1.65 4.33 1.02 -1.26 -4.65 120.64 119.12 1x3d n GLU 103 Ca 0.06 0.84 -0.57 0.00 -0.02 0.00 0.00 57.16 57.48 1x3d n GLU 103 Cb 0.54 -2.69 -0.07 0.00 -0.02 0.00 0.00 31.44 29.20 1x3d n GLU 103 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1x3d n GLU 104 N 5.93 0.93 -4.77 3.49 -0.58 -1.26 -4.82 120.64 119.56 1x3d n GLU 104 Ca 0.21 0.34 -0.33 0.00 -0.42 0.00 0.00 57.16 56.96 1x3d n GLU 104 Cb 0.31 -1.98 -0.13 0.00 -0.57 0.00 0.00 31.44 29.08 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 2.11 3.22 -0.16 2.62 -7.23 -1.00 -4.98 120.40 114.98 1x3d s VAL 105 Ca 0.94 -0.64 -0.04 0.00 -1.81 0.00 0.00 61.98 60.43 1x3d s VAL 105 Cb -1.09 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1x3d s VAL 105 CO 0.60 0.56 -0.03 -0.22 -0.31 0.00 0.00 175.10 175.70 1x3d s LEU 106 N -0.26 3.30 0.09 1.32 2.96 -1.26 -1.47 118.68 123.37 1x3d s LEU 106 Ca 0.02 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 1x3d s LEU 106 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1x3d s LEU 106 CO 0.03 0.17 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.77 1x3d s TYR 107 N 0.37 1.32 -0.24 5.38 2.02 -0.70 -4.99 117.35 120.50 1x3d s TYR 107 Ca -0.03 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1x3d s TYR 107 Cb -0.14 -0.72 0.06 0.00 -0.40 0.00 0.00 41.96 40.76 1x3d s TYR 107 CO 0.03 0.09 -0.03 0.71 -1.57 0.00 0.00 175.55 174.78 1x3d s TYR 108 N -1.52 2.25 0.61 2.71 1.51 -1.26 -0.85 117.35 120.81 1x3d s TYR 108 Ca 0.02 -1.71 -0.16 0.00 -1.01 0.00 0.00 57.07 54.21 1x3d s TYR 108 Cb -0.08 -1.59 -0.14 0.00 -0.11 0.00 0.00 41.96 40.04 1x3d s TYR 108 CO 0.03 -0.77 -0.32 0.25 -1.11 0.00 0.00 175.55 173.62 1x3d n THR 109 N 4.71 0.00 -1.55 -0.71 -2.24 -1.25 -4.70 114.28 108.54 1x3d n THR 109 Ca -0.10 -0.46 -0.49 0.00 -2.27 0.00 0.00 64.05 60.73 1x3d n THR 109 Cb 0.44 0.00 -0.04 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 2.61 0.89 0.00 3.42 2.88 -1.19 -3.67 113.62 118.56 1x3d n SER 110 Ca 0.04 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1x3d n SER 110 Cb 0.46 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 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 1.87 -2.30 3.45 0.46 0.00 -1.26 -3.86 105.19 103.55 1x3d n GLY 111 Ca 0.15 0.74 -0.30 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.78 0.08 0.00 0.00 1.04 -1.26 -5.14 113.70 106.64 1x3d s SER 113 Ca 0.16 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1x3d s SER 113 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1x3d s SER 113 CO 0.07 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1x3d n GLY 114 N -0.16 -0.17 3.68 7.32 0.00 -1.26 -4.95 105.19 109.64 1x3d n GLY 114 Ca -0.09 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 4.25 0.13 1.61 0.04 -1.26 -4.93 135.00 134.84 1x3d s PRO 115 Ca 0.00 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 62.71 1x3d s PRO 115 Cb 0.00 -3.65 -0.17 0.00 0.04 0.00 0.00 34.50 30.73 1x3d s PRO 115 CO 0.00 -0.64 1.18 -1.13 0.04 0.00 0.00 177.00 176.44 1x3d n SER 116 N 5.74 1.16 -3.73 6.66 3.41 -1.26 -0.80 113.62 124.81 1x3d n SER 116 Ca 0.14 1.14 -0.28 0.00 -0.26 0.00 0.00 58.87 59.61 1x3d n SER 116 Cb 0.43 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.16 1x3d n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x3d n SER 117 N 2.11 -0.56 0.00 4.04 3.41 -1.26 -5.31 113.62 116.05 1x3d n SER 117 Ca 0.17 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1x3d n SER 117 Cb 0.21 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1x3d n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49