#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 1.23 0.96 1.61 1.04 -1.26 -5.15 113.70 112.13 1x3d s SER 2 Ca 0.00 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.28 1x3d s SER 2 Cb 0.00 0.09 0.16 0.00 0.10 0.00 0.00 66.02 66.37 1x3d s SER 2 CO 0.00 -0.47 1.06 -1.20 0.98 0.00 0.00 173.24 173.61 1x3d n SER 3 N -0.10 -0.19 -3.90 7.02 7.64 -1.26 -5.05 113.62 117.79 1x3d n SER 3 Ca -0.11 0.32 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 1x3d n SER 3 Cb 0.61 -1.42 -0.11 0.00 -1.01 0.00 0.00 64.21 62.28 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 -2.55 0.07 -0.96 0.23 0.00 -1.26 -5.09 107.32 97.77 1x3d s GLY 4 Ca 0.66 -0.16 -0.24 0.00 0.00 0.00 0.00 44.72 44.98 1x3d s GLY 4 CO 0.60 -0.25 1.41 -1.35 0.00 0.00 0.00 173.10 173.51 1x3d s SER 5 N -0.97 6.43 0.01 1.64 1.04 -1.26 -4.94 113.70 115.64 1x3d s SER 5 Ca -0.11 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 55.04 1x3d s SER 5 Cb -0.06 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 1x3d s SER 5 CO 0.00 -1.58 0.07 -0.55 0.98 0.00 0.00 173.24 172.17 1x3d s SER 6 N 4.71 0.11 0.00 7.02 0.15 -1.26 -5.17 113.70 119.26 1x3d s SER 6 Ca 0.44 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1x3d s SER 6 Cb -0.02 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1x3d s SER 6 CO -0.05 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x3d n GLY 7 N 1.51 5.57 3.33 9.45 0.00 -1.26 -5.18 105.19 118.62 1x3d n GLY 7 Ca -0.23 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.00 2.03 -0.36 4.61 0.00 -1.26 -5.06 121.76 119.72 1x3d s ALA 8 Ca 0.00 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.55 1x3d s ALA 8 Cb 0.00 -0.21 0.44 0.00 0.00 0.00 0.00 23.12 23.36 1x3d s ALA 8 CO 0.00 0.28 1.20 -0.85 0.00 0.00 0.00 175.76 176.38 1x3d n GLU 9 N 0.42 3.52 -3.52 0.00 0.28 -1.26 -5.01 120.64 115.07 1x3d n GLU 9 Ca -0.14 -4.26 -0.39 0.00 -0.16 0.00 0.00 57.16 52.21 1x3d n GLU 9 Cb 0.56 -2.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.06 1x3d n GLU 9 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x3d s ILE 10 N -4.95 5.27 -0.20 3.84 1.09 -1.26 -5.06 121.20 119.92 1x3d s ILE 10 Ca 0.50 0.05 -0.04 0.00 -1.10 0.00 0.00 60.65 60.07 1x3d s ILE 10 Cb 0.41 -3.66 -0.01 0.00 -1.06 0.00 0.00 42.46 38.14 1x3d s ILE 10 CO -0.05 0.09 -0.04 -0.36 -0.10 0.00 0.00 174.94 174.48 1x3d s PHE 11 N 1.82 2.96 0.11 3.97 0.08 -1.26 -5.10 117.98 120.55 1x3d s PHE 11 Ca 0.08 -0.80 0.06 0.00 0.12 0.00 0.00 56.93 56.39 1x3d s PHE 11 Cb -0.17 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1x3d s PHE 11 CO 0.11 -0.44 -0.15 -0.08 -0.10 0.00 0.00 175.22 174.56 1x3d s THR 12 N 1.24 1.35 0.19 0.64 -1.32 -1.26 -5.16 115.64 111.31 1x3d s THR 12 Ca 0.03 -1.63 -0.07 0.00 -1.21 0.00 0.00 61.69 58.81 1x3d s THR 12 Cb -0.14 -1.46 -0.02 0.00 -1.51 0.00 0.00 72.50 69.36 1x3d s THR 12 CO -0.01 -0.34 0.26 0.42 -2.21 0.00 0.00 174.62 172.73 1x3d s THR 13 N -1.89 0.04 -0.51 5.08 -4.23 -1.26 -5.12 115.64 107.74 1x3d s THR 13 Ca 0.07 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 1x3d s THR 13 Cb -0.06 -2.13 0.13 0.00 1.34 0.00 0.00 72.50 71.78 1x3d s THR 13 CO 0.03 -0.17 0.27 -1.48 -0.54 0.00 0.00 174.62 172.73 1x3d s LEU 14 N -3.04 3.92 -0.55 4.79 2.34 -1.26 -4.97 118.68 119.91 1x3d s LEU 14 Ca 0.25 -2.99 0.06 0.00 0.06 0.00 0.00 54.13 51.52 1x3d s LEU 14 Cb 0.04 -1.48 0.33 0.00 -0.56 0.00 0.00 46.19 44.53 1x3d s LEU 14 CO 0.06 -0.23 0.89 -1.20 -1.06 0.00 0.00 176.35 174.81 1x3d n SER 15 N 3.12 3.79 0.00 1.48 7.64 -1.26 -4.72 113.62 123.67 1x3d n SER 15 Ca 0.07 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1x3d n SER 15 Cb 0.33 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.88 0.80 0.88 0.00 1.03 -1.26 -4.10 118.70 114.17 1x3d s GLU 17 Ca 0.00 0.46 -0.11 0.00 0.03 0.00 0.00 54.97 55.35 1x3d s GLU 17 Cb 0.00 0.38 0.12 0.00 -0.80 0.00 0.00 34.13 33.83 1x3d s GLU 17 CO 0.00 -0.20 1.09 -1.25 -1.33 0.00 0.00 175.26 173.58 1x3d s PRO 18 N -0.56 1.41 0.26 -4.83 0.04 -1.26 -4.98 135.00 125.09 1x3d s PRO 18 Ca -0.04 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 1x3d s PRO 18 Cb -0.02 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 1x3d s PRO 18 CO 0.03 -2.15 1.31 -0.51 0.04 0.00 0.00 177.00 175.73 1x3d s ASP 19 N -3.41 6.84 -0.19 6.66 1.01 -1.26 -4.62 116.67 121.69 1x3d s ASP 19 Ca 0.63 2.54 -0.37 0.00 0.71 0.00 0.00 52.55 56.06 1x3d s ASP 19 Cb -0.18 -2.63 -0.14 0.00 1.01 0.00 0.00 42.92 40.99 1x3d s ASP 19 CO 0.57 -0.53 1.83 -0.38 0.21 0.00 0.00 175.17 176.87 1x3d n ILE 20 N 1.76 0.44 -2.25 0.77 5.41 -1.26 -4.73 119.36 119.49 1x3d n ILE 20 Ca 0.03 -0.09 -0.41 0.00 1.00 0.00 0.00 62.75 63.29 1x3d n ILE 20 Cb 0.42 -1.55 -0.03 0.00 -0.71 0.00 0.00 39.64 37.77 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 3.92 4.46 0.77 0.38 0.04 -1.26 -4.94 135.00 138.37 1x3d s PRO 21 Ca 0.96 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 63.91 1x3d s PRO 21 Cb -0.88 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.51 1x3d s PRO 21 CO 0.59 -0.06 0.52 0.09 0.04 0.00 0.00 177.00 178.18 1x3d n ASN 22 N 1.13 -1.30 -4.77 6.66 3.02 -1.26 -4.25 115.26 114.49 1x3d n ASN 22 Ca 0.00 0.54 -0.37 0.00 -0.03 0.00 0.00 54.58 54.73 1x3d n ASN 22 Cb 0.43 -1.22 -0.01 0.00 -0.61 0.00 0.00 39.78 38.37 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 -2.96 3.74 0.46 3.52 0.04 -1.26 -4.81 135.00 133.74 1x3d s PRO 23 Ca 0.64 1.77 -0.23 0.00 0.04 0.00 0.00 61.00 63.22 1x3d s PRO 23 Cb -0.32 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 1x3d s PRO 23 CO 0.60 -0.56 1.16 -1.25 0.04 0.00 0.00 177.00 176.99 1x3d s PRO 24 N -2.72 3.75 0.40 0.56 0.04 -1.26 -4.93 135.00 130.84 1x3d s PRO 24 Ca 0.64 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.53 1x3d s PRO 24 Cb -0.28 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1x3d s PRO 24 CO 0.34 -0.56 0.31 -0.98 0.04 0.00 0.00 177.00 176.16 1x3d s ARG 25 N -2.70 2.49 -0.19 4.56 1.70 0.45 -4.87 118.95 120.38 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 -2.30 -0.05 0.00 -0.57 0.00 0.00 34.95 31.75 1x3d s ARG 25 CO 0.35 -0.11 0.28 0.42 -1.08 0.00 0.00 175.30 175.16 1x3d s ILE 26 N -2.47 5.30 -0.09 4.99 -1.09 -1.26 -0.57 121.20 126.00 1x3d s ILE 26 Ca 0.45 0.49 0.05 0.00 -2.23 0.00 0.00 60.65 59.41 1x3d s ILE 26 Cb -0.02 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1x3d s ILE 26 CO 0.26 0.35 0.14 0.00 -1.23 0.00 0.00 174.94 174.46 1x3d n ALA 27 N 3.95 2.34 -3.19 9.38 0.00 -0.99 -4.94 120.51 127.05 1x3d n ALA 27 Ca -0.12 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.25 1x3d n ALA 27 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.07 -0.30 -0.04 0.00 3.84 -1.23 -5.03 114.94 110.11 1x3d s ASN 28 Ca -0.00 0.27 0.03 0.00 0.21 0.00 0.00 52.86 53.36 1x3d s ASN 28 Cb 0.03 1.28 0.00 0.00 -0.55 0.00 0.00 41.25 42.02 1x3d s ASN 28 CO 0.19 -0.06 -0.13 0.00 -2.79 0.00 0.00 177.10 174.31 1x3d s ARG 29 N 2.68 1.43 0.46 0.43 1.70 -1.26 0.11 118.95 124.49 1x3d s ARG 29 Ca -0.03 -0.44 0.01 0.00 -0.47 0.00 0.00 55.73 54.79 1x3d s ARG 29 Cb -0.07 -1.25 0.01 0.00 -0.57 0.00 0.00 34.95 33.06 1x3d s ARG 29 CO -0.12 0.15 0.06 0.25 -1.08 0.00 0.00 175.30 174.56 1x3d n THR 30 N 3.34 0.00 0.24 4.99 -2.24 0.41 -4.26 114.28 116.75 1x3d n THR 30 Ca -0.19 -2.10 0.10 0.00 -2.27 0.00 0.00 64.05 59.58 1x3d n THR 30 Cb 0.53 0.34 0.59 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.32 -0.78 1.79 -1.93 -3.14 116.57 112.19 1x3d h LYS 31 Ca -0.36 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.85 1x3d h LYS 31 Cb 1.14 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.43 1x3d h LYS 31 CO 0.60 0.19 -0.98 0.09 -1.08 0.00 0.00 179.45 178.27 1x3d n ASN 32 N -3.72 2.02 -3.49 0.86 4.13 -1.26 -1.05 115.26 112.75 1x3d n ASN 32 Ca -0.01 -2.52 -0.10 0.00 1.68 0.00 0.00 54.58 53.62 1x3d n ASN 32 Cb 0.31 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 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 -3.22 -0.44 -0.20 6.41 0.01 -1.19 -2.14 113.70 112.92 1x3d s SER 33 Ca 0.34 0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.65 1x3d s SER 33 Cb 0.36 0.44 0.10 0.00 0.21 0.00 0.00 66.02 67.13 1x3d s SER 33 CO -0.06 -0.68 0.39 -0.76 0.41 0.00 0.00 173.24 172.54 1x3d s LEU 34 N -2.29 -0.61 -0.23 2.44 1.43 0.32 -0.45 118.68 119.30 1x3d s LEU 34 Ca 0.02 0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 53.81 1x3d s LEU 34 Cb -0.01 1.23 -0.04 0.00 0.03 0.00 0.00 46.19 47.41 1x3d s LEU 34 CO -0.07 -0.25 0.08 -0.89 0.23 0.00 0.00 176.35 175.45 1x3d s THR 35 N 2.58 4.57 -0.05 5.49 2.01 0.30 -0.21 115.64 130.32 1x3d s THR 35 Ca 0.02 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1x3d s THR 35 Cb -0.13 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1x3d s THR 35 CO -0.13 0.37 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.19 1x3d s LEU 36 N 1.19 2.01 0.03 4.42 1.43 -1.12 -2.34 118.68 124.31 1x3d s LEU 36 Ca 0.05 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 1x3d s LEU 36 Cb -0.14 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1x3d s LEU 36 CO 0.04 0.22 -0.25 -1.10 0.23 0.00 0.00 176.35 175.48 1x3d s GLN 37 N -0.13 1.78 0.18 1.70 -0.21 0.26 -2.83 119.66 120.41 1x3d s GLN 37 Ca -0.03 -1.01 -0.07 0.00 0.02 0.00 0.00 55.36 54.28 1x3d s GLN 37 Cb -0.12 -1.87 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 1x3d s GLN 37 CO 0.03 0.49 0.24 1.67 -2.12 0.00 0.00 175.29 175.60 1x3d s TRP 38 N -0.73 0.61 0.38 0.91 -2.14 -1.11 -0.41 118.94 116.45 1x3d s TRP 38 Ca 0.10 -0.96 0.08 0.00 2.66 0.00 0.00 56.10 57.99 1x3d s TRP 38 Cb -0.10 -0.19 -0.07 0.00 -3.10 0.00 0.00 33.47 30.02 1x3d s TRP 38 CO 0.01 -0.71 0.01 0.15 -2.66 0.00 0.00 176.95 173.76 1x3d s LYS 39 N -4.02 1.99 0.04 3.25 1.02 -1.26 -4.82 119.74 115.94 1x3d s LYS 39 Ca 0.23 -1.94 -0.23 0.00 0.02 0.00 0.00 55.97 54.05 1x3d s LYS 39 Cb 0.04 -1.78 -0.06 0.00 -0.52 0.00 0.00 37.83 35.52 1x3d s LYS 39 CO 0.04 0.03 0.68 0.00 -0.92 0.00 0.00 175.35 175.18 1x3d s ALA 40 N -2.62 3.45 1.00 5.17 0.00 -1.26 -4.77 121.76 122.72 1x3d s ALA 40 Ca 0.35 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1x3d s ALA 40 Cb 0.05 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1x3d s ALA 40 CO 0.19 0.17 0.00 -0.35 0.00 0.00 0.00 175.76 175.76 1x3d n PRO 41 N 2.52 0.16 -2.98 0.00 -0.04 -1.26 -4.96 135.00 128.43 1x3d n PRO 41 Ca -0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1x3d n PRO 41 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 1x3d n PRO 41 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3d s SER 42 N -1.51 6.53 -1.17 3.54 0.15 -1.26 -4.96 113.70 115.02 1x3d s SER 42 Ca 0.00 0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.78 1x3d s SER 42 Cb 0.00 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1x3d s SER 42 CO 0.00 -0.71 2.10 -0.90 1.20 0.00 0.00 173.24 174.92 1x3d n ASP 43 N 6.36 3.30 -0.14 5.45 5.75 -1.26 -4.47 116.55 131.54 1x3d n ASP 43 Ca 0.02 -2.77 -0.08 0.00 -0.01 0.00 0.00 54.79 51.95 1x3d n ASP 43 Cb 0.48 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1x3d n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x3d h ASN 44 N 6.83 0.52 0.00 -1.12 7.08 -1.98 -3.44 115.58 123.47 1x3d h ASN 44 Ca 0.51 -0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.66 1x3d h ASN 44 Cb 0.65 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 1x3d h ASN 44 CO 1.92 0.43 0.00 0.61 -2.08 0.00 0.00 177.43 178.31 1x3d n GLY 45 N -1.06 0.38 3.90 9.14 0.00 -1.26 -5.08 105.19 111.21 1x3d n GLY 45 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 46 N -1.00 6.34 0.01 1.61 0.15 -1.26 -5.01 113.70 114.54 1x3d s SER 46 Ca 0.00 0.88 -0.30 0.00 0.70 0.00 0.00 55.95 57.23 1x3d s SER 46 Cb 0.00 -2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 62.01 1x3d s SER 46 CO 0.00 -0.46 1.77 -1.59 1.20 0.00 0.00 173.24 174.16 1x3d s LYS 47 N -4.37 4.17 -0.05 5.44 -2.85 -1.26 -4.84 119.74 115.97 1x3d s LYS 47 Ca 0.47 2.39 -0.36 0.00 -1.00 0.00 0.00 55.97 57.46 1x3d s LYS 47 Cb -0.10 -3.94 -0.14 0.00 -2.06 0.00 0.00 37.83 31.59 1x3d s LYS 47 CO 0.39 -0.86 1.66 -0.89 0.10 0.00 0.00 175.35 175.76 1x3d n ILE 48 N 5.30 0.26 0.09 3.79 5.41 -1.26 -4.57 119.36 128.37 1x3d n ILE 48 Ca 0.18 -0.05 -0.04 0.00 1.00 0.00 0.00 62.75 63.85 1x3d n ILE 48 Cb 0.41 -1.39 -0.02 0.00 -0.71 0.00 0.00 39.64 37.93 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 6.96 -0.22 -4.08 0.38 4.20 -1.37 -3.48 115.11 117.50 1x3d h GLN 49 Ca -0.47 0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.08 1x3d h GLN 49 Cb 1.30 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 29.02 1x3d h GLN 49 CO 0.90 -0.14 -0.29 0.54 -0.67 0.00 0.00 178.83 179.16 1x3d s ASN 50 N -2.39 0.29 -0.10 1.46 6.03 -1.23 -4.88 114.94 114.13 1x3d s ASN 50 Ca -0.03 -1.23 -0.09 0.00 -1.03 0.00 0.00 52.86 50.47 1x3d s ASN 50 Cb 0.00 0.54 -0.04 0.00 -3.03 0.00 0.00 41.25 38.72 1x3d s ASN 50 CO 0.10 -1.09 0.20 -0.36 -2.03 0.00 0.00 177.10 173.93 1x3d s PHE 51 N -3.80 3.61 -0.34 1.54 0.08 -0.27 -3.24 117.98 115.57 1x3d s PHE 51 Ca 0.30 0.62 -0.03 0.00 0.12 0.00 0.00 56.93 57.94 1x3d s PHE 51 Cb 0.02 -2.05 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 1x3d s PHE 51 CO 0.13 0.67 0.07 0.08 -0.10 0.00 0.00 175.22 176.08 1x3d s VAL 52 N -0.89 3.19 0.28 -0.44 1.01 -0.55 -2.66 120.40 120.34 1x3d s VAL 52 Ca 0.17 -1.54 -0.00 0.00 0.00 0.00 0.00 61.98 60.60 1x3d s VAL 52 Cb -0.13 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1x3d s VAL 52 CO 0.06 -0.28 0.48 -0.22 0.00 0.00 0.00 175.10 175.13 1x3d s LEU 53 N 1.24 4.12 -0.05 3.92 2.96 -0.13 -2.77 118.68 127.97 1x3d s LEU 53 Ca -0.01 0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 54.11 1x3d s LEU 53 Cb -0.21 -3.25 0.05 0.00 0.50 0.00 0.00 46.19 43.28 1x3d s LEU 53 CO -0.01 -0.18 0.50 -1.61 -1.32 0.00 0.00 176.35 173.73 1x3d s GLU 54 N -3.87 0.84 0.16 1.98 2.02 -1.07 -0.73 118.70 118.03 1x3d s GLU 54 Ca 0.39 0.10 -0.19 0.00 0.02 0.00 0.00 54.97 55.29 1x3d s GLU 54 Cb -0.10 0.39 0.05 0.00 0.10 0.00 0.00 34.13 34.56 1x3d s GLU 54 CO 0.32 -0.24 0.52 1.67 0.02 0.00 0.00 175.26 177.55 1x3d s TRP 55 N -1.11 -0.32 -0.31 1.61 1.48 -0.98 -1.74 118.94 117.58 1x3d s TRP 55 Ca -0.11 0.03 0.01 0.00 -1.06 0.00 0.00 56.10 54.97 1x3d s TRP 55 Cb -0.03 0.42 0.36 0.00 -1.16 0.00 0.00 33.47 33.07 1x3d s TRP 55 CO 0.07 -0.82 1.68 -0.40 -4.06 0.00 0.00 176.95 173.41 1x3d n ASP 56 N -0.32 4.37 -2.88 -2.66 5.68 -1.19 -2.36 116.55 117.20 1x3d n ASP 56 Ca -0.15 -3.04 -0.09 0.00 -0.50 0.00 0.00 54.79 51.02 1x3d n ASP 56 Cb 0.64 -0.80 -0.02 0.00 -1.14 0.00 0.00 41.12 39.80 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 -0.33 -2.46 -4.21 0.11 1.02 -1.26 -0.38 120.64 113.12 1x3d n GLU 57 Ca 0.36 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 57.23 1x3d n GLU 57 Cb 1.03 -4.41 -0.07 0.00 -0.02 0.00 0.00 31.44 27.97 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 -0.19 0.13 0.62 0.00 -1.26 -4.86 105.19 99.03 1x3d n GLY 58 Ca 0.03 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.48 0.62 0.00 1.61 5.02 0.49 -4.80 118.16 116.62 1x3d n LYS 59 Ca -0.27 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1x3d n LYS 59 Cb 0.67 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.60 0.99 0.36 0.72 0.00 -1.26 -5.04 105.19 102.57 1x3d n GLY 60 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 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 2.35 0.00 1.61 0.23 -1.26 -5.06 115.26 113.12 1x3d n ASN 61 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1x3d n ASN 61 Cb 0.00 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 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 3.10 1.90 3.09 4.83 0.00 -1.26 -5.11 105.19 111.74 1x3d n GLY 62 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.27 2.31 -0.14 1.61 0.41 -1.26 -5.10 118.70 116.26 1x3d s GLU 63 Ca 0.00 -1.31 -0.19 0.00 -0.41 0.00 0.00 54.97 53.07 1x3d s GLU 63 Cb 0.00 -2.91 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 1x3d s GLU 63 CO 0.00 -0.56 0.50 -0.06 -0.49 0.00 0.00 175.26 174.66 1x3d s PHE 64 N 1.13 3.48 0.09 1.61 0.40 -1.26 -4.06 117.98 119.37 1x3d s PHE 64 Ca -0.08 0.88 0.04 0.00 -0.60 0.00 0.00 56.93 57.17 1x3d s PHE 64 Cb -0.20 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.70 1x3d s PHE 64 CO -0.05 0.09 -0.11 0.00 0.70 0.00 0.00 175.22 175.85 1x3d n GLN 66 N 0.73 0.33 -0.12 0.00 7.27 -1.26 -2.31 117.38 122.02 1x3d n GLN 66 Ca -0.17 0.11 -0.22 0.00 0.07 0.00 0.00 57.00 56.79 1x3d n GLN 66 Cb 0.57 -1.71 -0.08 0.00 2.41 0.00 0.00 30.24 31.43 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 -2.54 -0.81 -0.11 0.00 6.14 -1.23 -4.97 117.35 113.83 1x3d s TYR 68 Ca -0.33 1.59 0.01 0.00 0.64 0.00 0.00 57.07 58.98 1x3d s TYR 68 Cb 0.10 0.38 0.02 0.00 0.42 0.00 0.00 41.96 42.88 1x3d s TYR 68 CO 0.48 -0.45 -0.11 1.41 0.64 0.00 0.00 175.55 177.51 1x3d s MET 69 N 2.03 1.87 0.00 4.97 1.75 -1.26 -0.95 119.30 127.71 1x3d s MET 69 Ca -0.06 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 53.96 1x3d s MET 69 Cb -0.10 -1.73 0.00 0.00 2.84 0.00 0.00 34.83 35.84 1x3d s MET 69 CO -0.14 -0.17 0.00 0.41 -0.65 0.00 0.00 175.02 174.47 1x3d n GLY 70 N 4.56 1.06 0.13 2.11 0.00 -1.09 -4.99 105.19 106.98 1x3d n GLY 70 Ca -0.17 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.19 1.61 2.88 -1.26 -1.11 113.62 113.56 1x3d n SER 71 Ca 0.00 0.16 -0.35 0.00 -1.33 0.00 0.00 58.87 57.35 1x3d n SER 71 Cb 0.00 -0.74 0.08 0.00 -0.75 0.00 0.00 64.21 62.80 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 -3.68 -0.18 0.00 -1.46 1.13 -1.26 -4.78 117.38 107.15 1x3d n GLN 72 Ca -0.39 -0.03 0.04 0.00 -1.94 0.00 0.00 57.00 54.68 1x3d n GLN 72 Cb 0.95 -1.40 -0.01 0.00 0.11 0.00 0.00 30.24 29.89 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 0.48 2.38 -4.75 -1.09 5.02 -1.26 -4.82 118.16 114.12 1x3d n LYS 73 Ca 0.02 -0.50 -0.26 0.00 -2.02 0.00 0.00 58.31 55.55 1x3d n LYS 73 Cb 0.56 -1.03 -0.16 0.00 -0.02 0.00 0.00 35.03 34.38 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 -1.31 1.87 -0.04 1.97 -0.44 -1.26 -2.73 119.66 117.72 1x3d s GLN 74 Ca 0.07 -0.54 0.00 0.00 -2.50 0.00 0.00 55.36 52.39 1x3d s GLN 74 Cb 0.07 -1.55 0.03 0.00 -1.64 0.00 0.00 33.01 29.92 1x3d s GLN 74 CO 0.23 0.13 -0.01 0.12 0.50 0.00 0.00 175.29 176.26 1x3d s PHE 75 N 0.38 0.52 -0.47 1.67 5.36 -1.13 -5.02 117.98 119.29 1x3d s PHE 75 Ca -0.11 -0.09 -0.14 0.00 -0.96 0.00 0.00 56.93 55.63 1x3d s PHE 75 Cb -0.14 -0.59 0.08 0.00 -0.34 0.00 0.00 43.02 42.03 1x3d s PHE 75 CO 0.04 -0.20 0.38 0.21 -1.46 0.00 0.00 175.22 174.18 1x3d s LYS 76 N 1.28 2.89 -0.54 10.12 2.20 -1.26 -2.77 119.74 131.66 1x3d s LYS 76 Ca -0.06 -1.41 -0.28 0.00 -0.36 0.00 0.00 55.97 53.86 1x3d s LYS 76 Cb -0.13 -4.07 0.03 0.00 -1.51 0.00 0.00 37.83 32.15 1x3d s LYS 76 CO -0.02 -1.04 1.13 0.42 -0.36 0.00 0.00 175.35 175.48 1x3d s ILE 77 N 1.59 4.14 0.39 5.43 1.01 0.70 -4.84 121.20 129.62 1x3d s ILE 77 Ca 0.04 0.92 0.02 0.00 0.00 0.00 0.00 60.65 61.63 1x3d s ILE 77 Cb -0.25 -4.65 0.07 0.00 0.01 0.00 0.00 42.46 37.65 1x3d s ILE 77 CO 0.05 -1.19 0.53 0.35 0.00 0.00 0.00 174.94 174.69 1x3d n THR 78 N 6.66 0.00 -3.31 2.92 -2.24 -1.26 -0.52 114.28 116.53 1x3d n THR 78 Ca 0.09 -0.99 -0.16 0.00 -2.27 0.00 0.00 64.05 60.72 1x3d n THR 78 Cb 0.49 -0.95 0.08 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.94 -6.09 -4.56 -0.78 5.02 -0.91 -4.86 118.16 104.05 1x3d n LYS 79 Ca 0.10 0.76 -0.32 0.00 -2.02 0.00 0.00 58.31 56.83 1x3d n LYS 79 Cb 0.34 -5.53 -0.05 0.00 -0.02 0.00 0.00 35.03 29.77 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 -6.00 2.30 0.09 -0.35 1.43 -1.13 -4.99 118.68 110.03 1x3d s LEU 80 Ca 0.05 -1.60 0.07 0.00 -1.03 0.00 0.00 54.13 51.62 1x3d s LEU 80 Cb -0.02 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 1x3d s LEU 80 CO 0.66 -0.99 -0.17 -0.44 0.23 0.00 0.00 176.35 175.64 1x3d s SER 81 N -4.01 2.08 0.40 2.29 0.01 -1.20 -4.06 113.70 109.21 1x3d s SER 81 Ca 0.09 -0.65 -0.25 0.00 1.31 0.00 0.00 55.95 56.45 1x3d s SER 81 Cb -0.01 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.05 1x3d s SER 81 CO 0.06 -0.01 1.19 -2.16 0.41 0.00 0.00 173.24 172.72 1x3d s PRO 82 N -1.81 4.05 -0.89 12.44 0.04 -0.21 -3.48 135.00 145.13 1x3d s PRO 82 Ca 0.02 1.89 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 1x3d s PRO 82 Cb -0.10 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.75 1x3d s PRO 82 CO 0.03 -0.34 0.72 0.00 0.04 0.00 0.00 177.00 177.45 1x3d n ALA 83 N 0.10 -0.82 -4.00 8.56 0.00 -1.26 -4.87 120.51 118.22 1x3d n ALA 83 Ca 0.04 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 1x3d n ALA 83 Cb 0.46 -3.61 -0.15 0.00 0.00 0.00 0.00 19.45 16.14 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 -5.77 1.50 -0.16 0.00 0.00 -1.23 -5.00 119.30 108.64 1x3d s MET 84 Ca 0.36 -1.75 -0.29 0.00 0.00 0.00 0.00 55.69 54.00 1x3d s MET 84 Cb -0.16 -3.08 -0.04 0.00 0.00 0.00 0.00 34.83 31.55 1x3d s MET 84 CO 0.44 -0.90 1.68 0.20 0.00 0.00 0.00 175.02 176.44 1x3d s GLY 85 N 0.98 1.27 -0.05 2.11 0.00 -1.26 -4.13 107.32 106.24 1x3d s GLY 85 Ca 0.09 0.66 0.04 0.00 0.00 0.00 0.00 44.72 45.50 1x3d s GLY 85 CO -0.09 3.09 -0.17 0.00 0.00 0.00 0.00 173.10 175.93 1x3d s LYS 87 N 0.16 3.50 0.27 0.00 1.02 -1.26 -2.31 119.74 121.13 1x3d s LYS 87 Ca -0.07 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 1x3d s LYS 87 Cb -0.13 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1x3d s LYS 87 CO 0.03 0.36 0.28 -0.06 -0.92 0.00 0.00 175.35 175.04 1x3d s PHE 88 N -1.97 1.22 -0.20 3.18 0.40 -0.13 -3.19 117.98 117.28 1x3d s PHE 88 Ca 0.38 -1.37 -0.27 0.00 -0.60 0.00 0.00 56.93 55.07 1x3d s PHE 88 Cb -0.10 -0.42 0.10 0.00 0.51 0.00 0.00 43.02 43.11 1x3d s PHE 88 CO 0.30 -0.85 0.89 -0.98 0.70 0.00 0.00 175.22 175.28 1x3d s ARG 89 N -3.72 0.71 0.03 0.44 1.70 -0.71 -1.91 118.95 115.48 1x3d s ARG 89 Ca 0.36 0.51 0.08 0.00 -0.47 0.00 0.00 55.73 56.20 1x3d s ARG 89 Cb 0.03 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1x3d s ARG 89 CO 0.18 -0.15 -0.21 -1.17 -1.08 0.00 0.00 175.30 172.87 1x3d s LEU 90 N -0.34 2.44 -0.14 -1.89 2.96 -1.26 -2.61 118.68 117.83 1x3d s LEU 90 Ca -0.01 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 1x3d s LEU 90 Cb -0.03 -1.43 0.04 0.00 0.50 0.00 0.00 46.19 45.26 1x3d s LEU 90 CO 0.00 0.27 0.37 -0.94 -1.32 0.00 0.00 176.35 174.74 1x3d s SER 91 N -1.25 -0.39 -0.16 3.68 1.04 -1.12 -0.28 113.70 115.22 1x3d s SER 91 Ca 0.13 0.75 -0.06 0.00 0.48 0.00 0.00 55.95 57.25 1x3d s SER 91 Cb -0.10 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1x3d s SER 91 CO 0.03 -0.13 0.06 0.00 0.98 0.00 0.00 173.24 174.18 1x3d s ALA 92 N 0.22 3.41 -0.09 5.32 0.00 -1.26 -1.48 121.76 127.88 1x3d s ALA 92 Ca -0.00 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1x3d s ALA 92 Cb -0.03 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1x3d s ALA 92 CO 0.00 0.28 -0.19 0.50 0.00 0.00 0.00 175.76 176.35 1x3d s ARG 93 N 0.08 2.51 0.26 0.00 3.52 -1.20 -0.45 118.95 123.66 1x3d s ARG 93 Ca 0.05 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1x3d s ARG 93 Cb -0.12 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.30 1x3d s ARG 93 CO 0.01 0.09 0.04 0.27 -0.81 0.00 0.00 175.30 174.89 1x3d n ASN 94 N 3.74 2.57 0.32 -2.12 6.94 -1.09 -0.95 115.26 124.67 1x3d n ASN 94 Ca -0.20 -2.10 0.09 0.00 -0.02 0.00 0.00 54.58 52.35 1x3d n ASN 94 Cb 0.52 0.14 0.44 0.00 -2.36 0.00 0.00 39.78 38.53 1x3d n ASN 94 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x3d h ASP 95 N 0.57 0.00 0.00 0.53 3.32 -1.89 -1.87 116.42 117.08 1x3d h ASP 95 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1x3d h ASP 95 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1x3d h ASP 95 CO 0.34 0.00 -0.11 1.88 -1.72 0.00 0.00 179.24 179.64 1x3d h TYR 96 N 0.00 0.00 0.00 4.55 -1.99 -1.93 -3.51 116.97 114.09 1x3d h TYR 96 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1x3d h TYR 96 Cb 1.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1x3d h TYR 96 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1x3d n GLY 97 N 1.80 -0.14 3.63 3.88 0.00 -0.70 -5.04 105.19 108.62 1x3d n GLY 97 Ca -0.01 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 4.17 0.66 2.61 2.01 -1.26 -2.67 115.64 119.15 1x3d s THR 98 Ca 0.00 1.34 -0.15 0.00 0.31 0.00 0.00 61.69 63.19 1x3d s THR 98 Cb 0.00 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 1x3d s THR 98 CO 0.00 -0.42 1.09 -0.94 -0.69 0.00 0.00 174.62 173.67 1x3d s SER 99 N 2.65 5.22 0.36 3.53 1.04 0.40 -4.93 113.70 121.97 1x3d s SER 99 Ca 0.56 1.93 -0.16 0.00 0.48 0.00 0.00 55.95 58.76 1x3d s SER 99 Cb -0.17 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.28 1x3d s SER 99 CO 0.22 -1.55 -0.00 0.61 0.98 0.00 0.00 173.24 173.49 1x3d n GLY 100 N -0.75 -2.37 3.76 7.32 0.00 -1.26 -4.37 105.19 107.52 1x3d n GLY 100 Ca 0.10 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.46 3.86 0.99 1.61 0.40 -1.26 -4.56 117.98 117.54 1x3d s PHE 101 Ca 0.47 1.63 -0.15 0.00 -0.60 0.00 0.00 56.93 58.29 1x3d s PHE 101 Cb -0.46 -2.84 0.11 0.00 0.51 0.00 0.00 43.02 40.34 1x3d s PHE 101 CO 0.52 0.41 0.07 -1.13 0.70 0.00 0.00 175.22 175.78 1x3d n SER 102 N 2.07 -2.81 -4.67 1.36 3.41 0.61 -4.81 113.62 108.78 1x3d n SER 102 Ca -0.03 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 1x3d n SER 102 Cb 0.49 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 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 -3.21 4.23 -0.33 4.33 2.02 -1.26 -4.75 118.70 119.73 1x3d s GLU 103 Ca 0.37 1.90 -0.44 0.00 0.02 0.00 0.00 54.97 56.82 1x3d s GLU 103 Cb -0.05 -3.78 -0.20 0.00 0.10 0.00 0.00 34.13 30.21 1x3d s GLU 103 CO 0.39 -0.70 1.45 0.39 0.02 0.00 0.00 175.26 176.81 1x3d n GLU 104 N 6.39 0.09 -4.35 1.61 1.02 -1.26 -4.85 120.64 119.30 1x3d n GLU 104 Ca 0.15 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 57.01 1x3d n GLU 104 Cb 0.44 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 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 2.12 3.67 0.10 2.62 -7.23 -0.80 -4.97 120.40 115.90 1x3d s VAL 105 Ca 1.00 -0.91 0.10 0.00 -1.81 0.00 0.00 61.98 60.35 1x3d s VAL 105 Cb -1.40 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 1x3d s VAL 105 CO 0.73 0.28 -0.23 -0.22 -0.31 0.00 0.00 175.10 175.35 1x3d s LEU 106 N -1.75 2.42 0.12 1.32 2.96 -1.26 -0.96 118.68 121.54 1x3d s LEU 106 Ca 0.20 -0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 53.35 1x3d s LEU 106 Cb -0.11 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.24 1x3d s LEU 106 CO 0.11 0.21 0.32 -0.31 -1.32 0.00 0.00 176.35 175.36 1x3d s TYR 107 N -1.01 -0.02 -0.12 5.38 2.02 -0.98 -5.00 117.35 117.62 1x3d s TYR 107 Ca 0.15 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1x3d s TYR 107 Cb -0.10 0.13 0.04 0.00 -0.40 0.00 0.00 41.96 41.63 1x3d s TYR 107 CO 0.06 -0.66 0.04 0.71 -1.57 0.00 0.00 175.55 174.13 1x3d s TYR 108 N -3.84 0.58 0.85 2.71 1.51 -1.26 -1.76 117.35 116.13 1x3d s TYR 108 Ca 0.05 -0.32 -0.17 0.00 -1.01 0.00 0.00 57.07 55.63 1x3d s TYR 108 Cb 0.03 -0.79 -0.13 0.00 -0.11 0.00 0.00 41.96 40.96 1x3d s TYR 108 CO -0.10 -0.42 -0.45 0.25 -1.11 0.00 0.00 175.55 173.72 1x3d n THR 109 N 5.17 0.13 -0.25 -0.71 -2.24 -1.26 -4.64 114.28 110.48 1x3d n THR 109 Ca -0.07 -0.47 0.24 0.00 -2.27 0.00 0.00 64.05 61.48 1x3d n THR 109 Cb 0.49 -0.10 0.44 0.00 -2.10 0.00 0.00 70.33 69.06 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 2.63 0.24 0.00 3.42 2.88 -1.21 -4.25 113.62 117.32 1x3d n SER 110 Ca 0.02 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1x3d n SER 110 Cb 0.53 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.22 1.81 3.34 0.46 0.00 -1.26 -3.13 105.19 105.19 1x3d n GLY 111 Ca 0.28 0.53 -0.46 0.00 0.00 0.00 0.00 46.02 46.36 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 3.02 5.68 0.00 0.00 1.04 -1.18 -4.95 113.70 117.31 1x3d s SER 113 Ca 0.13 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1x3d s SER 113 Cb -0.19 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.51 1x3d s SER 113 CO -0.02 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1x3d n GLY 114 N -1.28 -0.51 2.40 7.32 0.00 -1.26 -5.14 105.19 106.72 1x3d n GLY 114 Ca -0.07 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1x3d n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3d n PRO 115 N 0.00 -2.48 -4.20 1.61 -0.04 -1.26 -5.10 135.00 123.53 1x3d n PRO 115 Ca 0.00 -1.20 -0.13 0.00 -0.04 0.00 0.00 63.50 62.14 1x3d n PRO 115 Cb 0.00 -1.12 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 1x3d n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3d s SER 116 N -3.52 0.26 -0.07 3.54 0.01 -1.26 -5.17 113.70 107.49 1x3d s SER 116 Ca 0.49 -1.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.30 1x3d s SER 116 Cb -0.05 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.61 1x3d s SER 116 CO 0.37 -0.86 0.15 -0.55 0.41 0.00 0.00 173.24 172.76 1x3d s SER 117 N -3.17 -0.12 0.00 2.44 0.15 -1.26 -5.32 113.70 106.42 1x3d s SER 117 Ca 0.39 0.31 0.32 0.00 0.70 0.00 0.00 55.95 57.66 1x3d s SER 117 Cb 0.07 0.21 1.89 0.00 -1.71 0.00 0.00 66.02 66.47 1x3d s SER 117 CO 0.13 -0.14 2.21 0.61 1.20 0.00 0.00 173.24 177.25