#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 0.77 -4.36 1.61 7.64 -1.26 -4.92 113.62 113.10 1x3d n SER 2 Ca 0.00 -1.26 -0.32 0.00 1.01 0.00 0.00 58.87 58.30 1x3d n SER 2 Cb 0.00 -1.68 -0.15 0.00 -1.01 0.00 0.00 64.21 61.37 1x3d n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x3d s SER 3 N -4.34 3.44 0.57 6.43 0.15 -1.26 -5.13 113.70 113.55 1x3d s SER 3 Ca 0.03 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1x3d s SER 3 Cb -0.02 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1x3d s SER 3 CO 0.99 0.30 0.00 0.61 1.20 0.00 0.00 173.24 176.34 1x3d n GLY 4 N 2.60 -2.71 3.50 9.45 0.00 -1.26 -5.10 105.19 111.67 1x3d n GLY 4 Ca -0.17 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.66 -0.40 0.18 1.61 0.01 -1.26 -5.19 113.70 106.99 1x3d s SER 5 Ca 0.00 0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.16 1x3d s SER 5 Cb 0.00 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.67 1x3d s SER 5 CO 0.00 -0.65 0.45 -0.44 0.41 0.00 0.00 173.24 173.01 1x3d s SER 6 N -2.39 -0.19 0.00 2.44 0.01 -1.26 -5.18 113.70 107.14 1x3d s SER 6 Ca 0.03 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1x3d s SER 6 Cb -0.01 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1x3d s SER 6 CO -0.08 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1x3d n GLY 7 N -0.30 4.90 3.94 3.44 0.00 -1.26 -5.15 105.19 110.75 1x3d n GLY 7 Ca -0.10 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 3.90 -0.13 4.61 0.00 -1.26 -4.99 121.76 121.89 1x3d s ALA 8 Ca 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 1x3d s ALA 8 Cb 0.00 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1x3d s ALA 8 CO 0.00 0.41 2.32 -1.91 0.00 0.00 0.00 175.76 176.58 1x3d n GLU 9 N -0.89 1.49 -5.18 0.00 4.07 -1.26 -4.84 120.64 114.04 1x3d n GLU 9 Ca -0.08 -0.79 -0.32 0.00 -0.06 0.00 0.00 57.16 55.92 1x3d n GLU 9 Cb 0.55 -1.42 -0.16 0.00 -0.06 0.00 0.00 31.44 30.35 1x3d n GLU 9 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1x3d s ILE 10 N -0.68 2.23 -0.54 6.31 1.01 -1.26 -5.08 121.20 123.18 1x3d s ILE 10 Ca 0.24 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1x3d s ILE 10 Cb 0.15 -1.83 0.15 0.00 0.01 0.00 0.00 42.46 40.94 1x3d s ILE 10 CO -0.02 0.57 0.35 -0.36 0.00 0.00 0.00 174.94 175.47 1x3d s PHE 11 N -0.06 2.60 -1.33 3.97 0.08 -1.26 -4.88 117.98 117.10 1x3d s PHE 11 Ca -0.06 -2.86 -0.14 0.00 0.12 0.00 0.00 56.93 54.00 1x3d s PHE 11 Cb -0.15 -2.18 0.14 0.00 -0.57 0.00 0.00 43.02 40.26 1x3d s PHE 11 CO 0.05 -0.70 0.34 0.25 -0.10 0.00 0.00 175.22 175.05 1x3d n THR 12 N 2.82 -0.17 -0.58 0.64 -2.24 -1.26 -4.82 114.28 108.66 1x3d n THR 12 Ca 0.15 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.54 1x3d n THR 12 Cb 0.36 -0.45 0.21 0.00 -2.10 0.00 0.00 70.33 68.35 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 -3.23 0.00 -2.74 4.28 -2.24 -1.26 -4.98 114.28 104.11 1x3d n THR 13 Ca 0.01 -0.38 -0.19 0.00 -2.27 0.00 0.00 64.05 61.22 1x3d n THR 13 Cb 0.37 -0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.04 2.82 -3.61 3.22 4.77 -1.26 -4.98 117.00 114.92 1x3d n LEU 14 Ca 0.01 -4.72 -0.29 0.00 -0.03 0.00 0.00 56.01 50.98 1x3d n LEU 14 Cb 0.59 0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.61 1x3d n LEU 14 CO 0.54 2.02 -0.27 -0.44 -1.33 0.00 0.00 177.39 177.92 1x3d s SER 15 N -3.18 3.30 0.09 -1.43 0.01 -1.26 -4.66 113.70 106.56 1x3d s SER 15 Ca 0.39 -2.51 -0.27 0.00 1.31 0.00 0.00 55.95 54.87 1x3d s SER 15 Cb 0.39 -0.78 0.08 0.00 0.21 0.00 0.00 66.02 65.93 1x3d s SER 15 CO -0.08 -0.27 1.01 0.00 0.41 0.00 0.00 173.24 174.30 1x3d n GLU 17 N -0.42 0.50 -1.16 0.00 -0.00 -1.26 -4.51 120.64 113.78 1x3d n GLU 17 Ca -0.07 0.22 -0.29 0.00 -0.00 0.00 0.00 57.16 57.02 1x3d n GLU 17 Cb 0.61 -2.06 0.18 0.00 -0.00 0.00 0.00 31.44 30.18 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 -3.00 0.23 0.48 3.44 0.04 -1.26 -4.88 135.00 130.05 1x3d s PRO 18 Ca 0.71 0.45 -0.21 0.00 0.04 0.00 0.00 61.00 61.99 1x3d s PRO 18 Cb -0.36 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1x3d s PRO 18 CO 0.52 -2.85 1.09 0.34 0.04 0.00 0.00 177.00 176.14 1x3d s ASP 19 N -3.48 6.18 -0.14 6.66 2.15 -1.26 -4.53 116.67 122.25 1x3d s ASP 19 Ca 0.66 2.09 -0.29 0.00 0.43 0.00 0.00 52.55 55.44 1x3d s ASP 19 Cb -0.18 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.81 1x3d s ASP 19 CO 0.58 -0.90 1.84 -0.63 -0.17 0.00 0.00 175.17 175.89 1x3d s ILE 20 N -1.78 3.37 0.33 4.11 1.01 -1.26 -4.81 121.20 122.16 1x3d s ILE 20 Ca 0.67 0.42 -0.28 0.00 0.00 0.00 0.00 60.65 61.46 1x3d s ILE 20 Cb -0.22 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 1x3d s ILE 20 CO 0.26 -0.14 1.22 -2.16 0.00 0.00 0.00 174.94 174.12 1x3d s PRO 21 N 4.93 4.39 0.96 2.79 0.04 -1.26 -4.95 135.00 141.90 1x3d s PRO 21 Ca 0.82 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.76 1x3d s PRO 21 Cb -0.32 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1x3d s PRO 21 CO 0.33 -0.08 0.40 0.27 0.04 0.00 0.00 177.00 177.96 1x3d n ASN 22 N 0.80 -2.05 -4.77 6.66 6.94 -1.26 -4.29 115.26 117.28 1x3d n ASN 22 Ca 0.00 0.30 -0.37 0.00 -0.02 0.00 0.00 54.58 54.50 1x3d n ASN 22 Cb 0.43 -1.20 -0.01 0.00 -2.36 0.00 0.00 39.78 36.65 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 -3.65 3.66 0.39 -0.53 0.04 -1.26 -4.83 135.00 128.82 1x3d s PRO 23 Ca 0.57 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 63.08 1x3d s PRO 23 Cb -0.21 -2.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1x3d s PRO 23 CO 0.67 -0.62 1.19 -1.25 0.04 0.00 0.00 177.00 177.03 1x3d s PRO 24 N -2.85 4.08 0.42 0.56 0.04 -1.26 -4.90 135.00 131.09 1x3d s PRO 24 Ca 0.66 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.68 1x3d s PRO 24 Cb -0.27 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1x3d s PRO 24 CO 0.33 -0.32 0.39 -0.98 0.04 0.00 0.00 177.00 176.46 1x3d s ARG 25 N -2.23 2.55 -0.21 4.56 1.70 0.39 -4.87 118.95 120.85 1x3d s ARG 25 Ca 0.56 -1.52 -0.11 0.00 -0.47 0.00 0.00 55.73 54.19 1x3d s ARG 25 Cb -0.32 -2.40 -0.05 0.00 -0.57 0.00 0.00 34.95 31.61 1x3d s ARG 25 CO 0.41 -0.20 0.19 0.42 -1.08 0.00 0.00 175.30 175.05 1x3d s ILE 26 N -2.47 5.35 -0.10 4.99 -1.09 -1.26 0.23 121.20 126.85 1x3d s ILE 26 Ca 0.49 0.29 0.04 0.00 -2.23 0.00 0.00 60.65 59.24 1x3d s ILE 26 Cb -0.04 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 1x3d s ILE 26 CO 0.28 0.37 0.14 0.00 -1.23 0.00 0.00 174.94 174.50 1x3d n ALA 27 N 3.94 2.35 -3.20 9.38 0.00 -0.99 -4.91 120.51 127.08 1x3d n ALA 27 Ca -0.14 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.23 1x3d n ALA 27 Cb 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.93 -0.30 -0.02 0.00 2.47 -1.24 -5.03 114.94 108.88 1x3d s ASN 28 Ca 0.00 0.27 0.03 0.00 0.42 0.00 0.00 52.86 53.58 1x3d s ASN 28 Cb 0.03 1.29 0.00 0.00 -1.45 0.00 0.00 41.25 41.12 1x3d s ASN 28 CO 0.17 -0.06 -0.09 0.00 -3.72 0.00 0.00 177.10 173.40 1x3d s ARG 29 N 2.66 0.94 0.40 0.43 1.70 -1.26 0.11 118.95 123.93 1x3d s ARG 29 Ca -0.03 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 1x3d s ARG 29 Cb -0.07 -0.88 0.00 0.00 -0.57 0.00 0.00 34.95 33.43 1x3d s ARG 29 CO -0.12 0.13 0.01 0.25 -1.08 0.00 0.00 175.30 174.49 1x3d n THR 30 N 3.22 0.00 0.23 4.99 -2.24 0.65 -4.52 114.28 116.61 1x3d n THR 30 Ca -0.17 -1.85 0.08 0.00 -2.27 0.00 0.00 64.05 59.83 1x3d n THR 30 Cb 0.55 0.35 0.55 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.33 -0.78 1.57 -1.93 -2.78 116.57 112.32 1x3d h LYS 31 Ca -0.33 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.20 1x3d h LYS 31 Cb 0.99 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.96 1x3d h LYS 31 CO 0.54 0.22 -0.94 0.09 -0.57 0.00 0.00 179.45 178.79 1x3d n ASN 32 N -3.90 2.22 -3.50 0.86 4.13 -1.26 0.04 115.26 113.86 1x3d n ASN 32 Ca -0.02 -2.69 -0.10 0.00 1.68 0.00 0.00 54.58 53.45 1x3d n ASN 32 Cb 0.30 -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 -3.23 -0.43 -0.20 6.41 0.01 -1.18 -2.34 113.70 112.74 1x3d s SER 33 Ca 0.36 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.65 1x3d s SER 33 Cb 0.37 0.43 0.09 0.00 0.21 0.00 0.00 66.02 67.12 1x3d s SER 33 CO -0.06 -0.66 0.43 -0.76 0.41 0.00 0.00 173.24 172.60 1x3d s LEU 34 N -2.27 -0.62 -0.22 2.44 1.43 -0.31 -0.25 118.68 118.87 1x3d s LEU 34 Ca 0.02 1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 54.08 1x3d s LEU 34 Cb -0.01 1.41 -0.03 0.00 0.03 0.00 0.00 46.19 47.59 1x3d s LEU 34 CO -0.07 -0.23 0.03 -0.89 0.23 0.00 0.00 176.35 175.42 1x3d s THR 35 N 2.51 4.09 -0.16 5.49 2.01 0.30 -0.28 115.64 129.60 1x3d s THR 35 Ca -0.03 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1x3d s THR 35 Cb -0.12 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1x3d s THR 35 CO -0.13 0.39 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.27 1x3d s LEU 36 N 1.28 2.40 -0.12 4.42 1.43 -1.18 -2.36 118.68 124.55 1x3d s LEU 36 Ca 0.04 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1x3d s LEU 36 Cb -0.15 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1x3d s LEU 36 CO 0.02 0.07 -0.11 -1.10 0.23 0.00 0.00 176.35 175.45 1x3d s GLN 37 N 0.91 3.28 0.29 1.70 -0.21 0.13 -2.76 119.66 123.00 1x3d s GLN 37 Ca -0.04 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.72 1x3d s GLN 37 Cb -0.15 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.16 1x3d s GLN 37 CO -0.02 0.30 0.08 1.67 -2.12 0.00 0.00 175.29 175.20 1x3d s TRP 38 N 0.13 1.71 0.14 0.91 -2.14 -0.57 -0.46 118.94 118.66 1x3d s TRP 38 Ca -0.05 -1.10 0.08 0.00 2.66 0.00 0.00 56.10 57.69 1x3d s TRP 38 Cb -0.15 -1.05 -0.04 0.00 -3.10 0.00 0.00 33.47 29.13 1x3d s TRP 38 CO 0.04 -0.20 -0.13 0.15 -2.66 0.00 0.00 176.95 174.15 1x3d s LYS 39 N -3.98 1.98 0.08 3.25 1.02 -1.26 -4.80 119.74 116.03 1x3d s LYS 39 Ca 0.37 -1.18 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 1x3d s LYS 39 Cb 0.08 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.16 1x3d s LYS 39 CO 0.14 0.47 1.01 0.00 -0.92 0.00 0.00 175.35 176.06 1x3d s ALA 40 N -1.40 3.25 1.00 5.17 0.00 -1.26 -4.75 121.76 123.77 1x3d s ALA 40 Ca 0.22 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1x3d s ALA 40 Cb -0.10 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1x3d s ALA 40 CO 0.13 -0.16 0.00 -0.35 0.00 0.00 0.00 175.76 175.38 1x3d n PRO 41 N 3.19 0.17 -3.54 0.00 -0.04 -1.26 -4.99 135.00 128.52 1x3d n PRO 41 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1x3d n PRO 41 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 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 5.94 -1.21 3.54 0.01 -1.26 -5.00 113.70 114.21 1x3d s SER 42 Ca 0.00 -0.68 -0.21 0.00 1.31 0.00 0.00 55.95 56.36 1x3d s SER 42 Cb 0.00 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1x3d s SER 42 CO 0.00 -0.32 1.87 1.51 0.41 0.00 0.00 173.24 176.71 1x3d s ASP 43 N 1.66 5.54 -0.00 2.44 -4.77 -1.26 -4.37 116.67 115.91 1x3d s ASP 43 Ca 0.05 -1.85 -0.25 0.00 -3.30 0.00 0.00 52.55 47.20 1x3d s ASP 43 Cb -0.18 -2.59 -0.17 0.00 -1.09 0.00 0.00 42.92 38.89 1x3d s ASP 43 CO 0.09 -2.53 1.22 0.78 0.70 0.00 0.00 175.17 175.43 1x3d h ASN 44 N 9.19 -0.24 0.00 2.11 2.35 -1.94 -3.41 115.58 123.64 1x3d h ASN 44 Ca 0.28 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1x3d h ASN 44 Cb 0.92 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1x3d h ASN 44 CO 1.29 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 177.84 1x3d n GLY 45 N -0.13 0.64 3.36 2.83 0.00 -1.26 -5.03 105.19 105.60 1x3d n GLY 45 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.24 1.68 0.17 1.61 0.01 -1.26 -5.04 113.70 109.63 1x3d s SER 46 Ca 0.00 -1.35 -0.32 0.00 1.31 0.00 0.00 55.95 55.59 1x3d s SER 46 Cb 0.00 0.06 -0.12 0.00 0.21 0.00 0.00 66.02 66.16 1x3d s SER 46 CO 0.00 -0.65 1.72 2.29 0.41 0.00 0.00 173.24 177.01 1x3d n LYS 47 N -0.52 2.60 -1.80 12.44 2.85 -1.26 -4.77 118.16 127.69 1x3d n LYS 47 Ca -0.02 0.94 -0.42 0.00 -1.05 0.00 0.00 58.31 57.77 1x3d n LYS 47 Cb 0.66 -2.78 -0.03 0.00 -0.65 0.00 0.00 35.03 32.23 1x3d n LYS 47 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1x3d s ILE 48 N 1.55 3.23 0.00 0.58 1.01 -1.26 -4.30 121.20 122.02 1x3d s ILE 48 Ca 0.78 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1x3d s ILE 48 Cb -0.55 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1x3d s ILE 48 CO 0.35 -0.26 0.97 0.00 0.00 0.00 0.00 174.94 176.00 1x3d n GLN 49 N 8.70 0.00 -3.88 2.79 6.02 -0.10 -4.85 117.38 126.06 1x3d n GLN 49 Ca 0.27 0.90 -0.09 0.00 -0.01 0.00 0.00 57.00 58.07 1x3d n GLN 49 Cb 0.48 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.22 1x3d n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x3d s ASN 50 N -2.87 -0.12 -0.06 1.08 6.03 -1.23 -4.93 114.94 112.84 1x3d s ASN 50 Ca 0.00 -0.73 -0.17 0.00 -1.03 0.00 0.00 52.86 50.93 1x3d s ASN 50 Cb 0.00 0.54 -0.05 0.00 -3.03 0.00 0.00 41.25 38.71 1x3d s ASN 50 CO 0.00 -1.04 0.47 -0.36 -2.03 0.00 0.00 177.10 174.13 1x3d s PHE 51 N -3.95 3.61 -0.29 1.54 0.08 -0.78 -3.43 117.98 114.77 1x3d s PHE 51 Ca 0.16 0.96 -0.04 0.00 0.12 0.00 0.00 56.93 58.13 1x3d s PHE 51 Cb 0.00 -2.46 0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1x3d s PHE 51 CO 0.02 0.36 0.02 0.08 -0.10 0.00 0.00 175.22 175.60 1x3d s VAL 52 N -0.10 3.34 0.11 -0.44 1.01 -0.66 -2.92 120.40 120.74 1x3d s VAL 52 Ca 0.25 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1x3d s VAL 52 Cb -0.16 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1x3d s VAL 52 CO 0.12 -0.01 0.10 -0.22 0.00 0.00 0.00 175.10 175.10 1x3d s LEU 53 N 1.35 3.83 0.06 3.92 2.96 0.53 -2.52 118.68 128.82 1x3d s LEU 53 Ca -0.02 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1x3d s LEU 53 Cb -0.18 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.02 1x3d s LEU 53 CO -0.00 0.14 0.19 -1.61 -1.32 0.00 0.00 176.35 173.74 1x3d s GLU 54 N -2.63 0.76 0.23 1.98 8.01 -1.00 -0.09 118.70 125.97 1x3d s GLU 54 Ca 0.30 -0.78 -0.18 0.00 0.01 0.00 0.00 54.97 54.31 1x3d s GLU 54 Cb -0.12 0.31 0.02 0.00 -4.31 0.00 0.00 34.13 30.04 1x3d s GLU 54 CO 0.23 -0.23 0.60 1.67 0.01 0.00 0.00 175.26 177.54 1x3d s TRP 55 N -3.15 -0.10 -0.41 1.61 1.48 -1.19 -1.62 118.94 115.56 1x3d s TRP 55 Ca -0.01 -0.28 0.03 0.00 -1.06 0.00 0.00 56.10 54.79 1x3d s TRP 55 Cb 0.02 0.49 0.59 0.00 -1.16 0.00 0.00 33.47 33.41 1x3d s TRP 55 CO -0.07 -1.04 1.83 -0.40 -4.06 0.00 0.00 176.95 173.21 1x3d n ASP 56 N -0.40 3.80 -2.64 -2.66 5.75 -1.15 -2.77 116.55 116.49 1x3d n ASP 56 Ca -0.07 -3.45 -0.03 0.00 -0.01 0.00 0.00 54.79 51.23 1x3d n ASP 56 Cb 0.61 -0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1x3d n GLU 57 N -0.97 -2.84 -3.97 0.11 1.02 -1.26 -0.09 120.64 112.64 1x3d n GLU 57 Ca 0.54 0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 57.43 1x3d n GLU 57 Cb 1.53 -4.50 -0.02 0.00 -0.02 0.00 0.00 31.44 28.42 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 -0.54 -0.25 0.13 0.62 0.00 -1.26 -4.90 105.19 98.99 1x3d n GLY 58 Ca 0.01 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 0.57 0.00 1.61 4.76 0.87 -4.81 118.16 116.75 1x3d n LYS 59 Ca -0.27 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1x3d n LYS 59 Cb 0.67 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 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 1.32 0.93 0.23 0.72 0.00 -1.26 -5.04 105.19 102.09 1x3d n GLY 60 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 3.01 0.00 1.61 3.02 -1.26 -5.06 115.26 116.58 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1x3d n ASN 61 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 3.33 1.72 3.11 7.41 0.00 -1.26 -5.11 105.19 114.38 1x3d n GLY 62 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.20 2.33 -0.23 1.61 0.41 -1.26 -5.10 118.70 116.26 1x3d s GLU 63 Ca 0.00 -1.31 -0.12 0.00 -0.41 0.00 0.00 54.97 53.14 1x3d s GLU 63 Cb 0.00 -2.99 -0.05 0.00 -1.78 0.00 0.00 34.13 29.31 1x3d s GLU 63 CO 0.00 -0.58 0.22 -0.06 -0.49 0.00 0.00 175.26 174.35 1x3d s PHE 64 N 1.16 3.32 0.09 1.61 0.40 -1.26 -4.11 117.98 119.20 1x3d s PHE 64 Ca -0.07 0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.62 1x3d s PHE 64 Cb -0.20 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 1x3d s PHE 64 CO -0.04 0.03 -0.14 0.00 0.70 0.00 0.00 175.22 175.78 1x3d n GLN 66 N 0.94 0.00 -0.03 0.00 7.27 -1.26 -3.20 117.38 121.10 1x3d n GLN 66 Ca -0.19 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.84 1x3d n GLN 66 Cb 0.55 -1.20 -0.03 0.00 2.41 0.00 0.00 30.24 31.98 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 -2.11 -0.90 -0.19 0.00 6.14 -1.09 -4.98 117.35 114.23 1x3d s TYR 68 Ca -0.07 1.83 -0.04 0.00 0.64 0.00 0.00 57.07 59.42 1x3d s TYR 68 Cb 0.02 0.50 0.06 0.00 0.42 0.00 0.00 41.96 42.96 1x3d s TYR 68 CO 0.13 -0.46 0.07 1.41 0.64 0.00 0.00 175.55 177.34 1x3d s MET 69 N 1.56 0.26 0.00 4.97 1.75 -1.26 -0.34 119.30 126.24 1x3d s MET 69 Ca -0.10 -0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1x3d s MET 69 Cb -0.06 -1.89 0.00 0.00 2.84 0.00 0.00 34.83 35.72 1x3d s MET 69 CO -0.17 -0.68 0.00 0.41 -0.65 0.00 0.00 175.02 173.92 1x3d n GLY 70 N 5.20 2.62 0.56 2.11 0.00 -1.15 -4.99 105.19 109.55 1x3d n GLY 70 Ca -0.07 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 1.12 -3.99 1.61 2.88 -1.26 -1.86 113.62 112.12 1x3d n SER 71 Ca 0.00 0.19 -0.36 0.00 -1.33 0.00 0.00 58.87 57.36 1x3d n SER 71 Cb 0.00 -0.45 0.02 0.00 -0.75 0.00 0.00 64.21 63.03 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 -3.72 0.00 -0.47 -1.46 1.13 -1.26 -4.73 117.38 106.87 1x3d n GLN 72 Ca -0.23 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 54.92 1x3d n GLN 72 Cb 0.59 -0.96 0.30 0.00 0.11 0.00 0.00 30.24 30.28 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x3d n LYS 73 N 1.73 3.32 -3.81 -1.09 5.02 -1.26 -4.85 118.16 117.21 1x3d n LYS 73 Ca 0.05 -2.68 -0.12 0.00 -2.02 0.00 0.00 58.31 53.54 1x3d n LYS 73 Cb 0.48 -1.71 -0.12 0.00 -0.02 0.00 0.00 35.03 33.66 1x3d n LYS 73 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1x3d s GLN 74 N -1.69 0.29 -0.07 1.97 -2.07 -1.26 -1.51 119.66 115.31 1x3d s GLN 74 Ca 0.44 0.15 -0.03 0.00 -1.82 0.00 0.00 55.36 54.10 1x3d s GLN 74 Cb 0.28 0.13 0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1x3d s GLN 74 CO 0.22 -0.05 0.13 0.12 -1.32 0.00 0.00 175.29 174.39 1x3d s PHE 75 N -0.18 -0.11 -0.51 9.60 5.36 -1.11 -5.00 117.98 126.03 1x3d s PHE 75 Ca -0.03 0.50 -0.19 0.00 -0.96 0.00 0.00 56.93 56.25 1x3d s PHE 75 Cb -0.02 -0.33 0.06 0.00 -0.34 0.00 0.00 43.02 42.39 1x3d s PHE 75 CO 0.01 -0.26 0.62 0.21 -1.46 0.00 0.00 175.22 174.34 1x3d s LYS 76 N 2.26 3.12 -0.49 10.12 2.20 -1.26 -3.11 119.74 132.58 1x3d s LYS 76 Ca 0.04 -0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 54.45 1x3d s LYS 76 Cb -0.12 -4.11 0.03 0.00 -1.51 0.00 0.00 37.83 32.12 1x3d s LYS 76 CO -0.05 -1.23 1.10 0.42 -0.36 0.00 0.00 175.35 175.23 1x3d s ILE 77 N 2.61 4.23 0.41 5.43 1.01 0.61 -4.84 121.20 130.67 1x3d s ILE 77 Ca 0.15 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.89 1x3d s ILE 77 Cb -0.20 -4.59 0.08 0.00 0.01 0.00 0.00 42.46 37.76 1x3d s ILE 77 CO 0.12 -1.03 0.57 0.35 0.00 0.00 0.00 174.94 174.95 1x3d n THR 78 N 6.74 0.00 -3.38 2.92 -2.24 -1.26 -1.17 114.28 115.89 1x3d n THR 78 Ca 0.10 -1.05 -0.16 0.00 -2.27 0.00 0.00 64.05 60.66 1x3d n THR 78 Cb 0.49 -0.94 0.08 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.00 -5.49 -3.91 -0.78 5.02 -0.99 -4.88 118.16 105.14 1x3d n LYS 79 Ca 0.10 0.85 -0.22 0.00 -2.02 0.00 0.00 58.31 57.02 1x3d n LYS 79 Cb 0.37 -5.86 -0.05 0.00 -0.02 0.00 0.00 35.03 29.46 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 -3.90 0.00 -4.26 -0.35 4.77 -1.06 -5.00 117.00 107.21 1x3d n LEU 80 Ca -0.23 -2.35 -0.21 0.00 -0.03 0.00 0.00 56.01 53.19 1x3d n LEU 80 Cb 0.66 0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 42.08 1x3d n LEU 80 CO 0.61 -0.34 -0.48 -0.94 -1.33 0.00 0.00 177.39 174.90 1x3d s SER 81 N -2.99 2.21 0.48 -1.43 1.04 -1.22 -4.12 113.70 107.67 1x3d s SER 81 Ca 0.06 -0.74 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 1x3d s SER 81 Cb 0.00 -0.10 -0.07 0.00 0.10 0.00 0.00 66.02 65.95 1x3d s SER 81 CO 0.04 -0.05 1.16 -2.16 0.98 0.00 0.00 173.24 173.21 1x3d s PRO 82 N -2.26 3.68 -1.24 4.02 0.04 0.11 -3.42 135.00 135.94 1x3d s PRO 82 Ca 0.07 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1x3d s PRO 82 Cb -0.08 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1x3d s PRO 82 CO 0.04 -0.61 0.57 0.00 0.04 0.00 0.00 177.00 177.04 1x3d n ALA 83 N -0.64 -0.83 -3.70 8.56 0.00 -1.25 -4.97 120.51 117.68 1x3d n ALA 83 Ca 0.08 0.25 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1x3d n ALA 83 Cb 0.49 -3.47 -0.09 0.00 0.00 0.00 0.00 19.45 16.38 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 -5.57 2.57 -0.00 0.00 0.00 -1.22 -4.92 119.30 110.16 1x3d s MET 84 Ca 0.28 -2.45 -0.30 0.00 0.00 0.00 0.00 55.69 53.22 1x3d s MET 84 Cb -0.12 -3.76 -0.09 0.00 0.00 0.00 0.00 34.83 30.86 1x3d s MET 84 CO 0.35 -1.17 2.01 0.41 0.00 0.00 0.00 175.02 176.62 1x3d n GLY 85 N 3.64 1.73 3.11 2.11 0.00 -1.26 -3.86 105.19 110.66 1x3d n GLY 85 Ca 0.07 0.82 -0.19 0.00 0.00 0.00 0.00 46.02 46.71 1x3d n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s LYS 87 N -0.92 2.63 0.18 0.00 1.02 -1.26 -0.69 119.74 120.70 1x3d s LYS 87 Ca 0.01 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 54.88 1x3d s LYS 87 Cb -0.07 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1x3d s LYS 87 CO 0.01 0.44 0.22 -0.06 -0.92 0.00 0.00 175.35 175.04 1x3d s PHE 88 N -1.89 0.70 -0.20 3.18 0.40 -0.30 -2.94 117.98 116.94 1x3d s PHE 88 Ca 0.30 -1.03 -0.18 0.00 -0.60 0.00 0.00 56.93 55.42 1x3d s PHE 88 Cb -0.09 -0.25 0.05 0.00 0.51 0.00 0.00 43.02 43.25 1x3d s PHE 88 CO 0.21 -0.70 0.54 -0.98 0.70 0.00 0.00 175.22 175.00 1x3d s ARG 89 N -4.05 0.62 0.03 0.44 1.70 -0.64 -2.15 118.95 114.90 1x3d s ARG 89 Ca 0.25 0.78 0.03 0.00 -0.47 0.00 0.00 55.73 56.33 1x3d s ARG 89 Cb 0.05 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1x3d s ARG 89 CO 0.05 -0.09 -0.04 -1.17 -1.08 0.00 0.00 175.30 172.97 1x3d s LEU 90 N 0.46 3.28 -0.19 -1.89 2.96 -1.26 -2.36 118.68 119.68 1x3d s LEU 90 Ca -0.01 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 1x3d s LEU 90 Cb -0.04 -1.92 0.05 0.00 0.50 0.00 0.00 46.19 44.78 1x3d s LEU 90 CO -0.02 0.25 0.49 -0.94 -1.32 0.00 0.00 176.35 174.82 1x3d s SER 91 N -1.67 -0.54 -0.18 3.68 1.04 -1.05 -0.51 113.70 114.47 1x3d s SER 91 Ca 0.19 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 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 -0.18 0.07 0.00 0.98 0.00 0.00 173.24 174.21 1x3d s ALA 92 N 0.56 3.44 -0.07 5.32 0.00 -1.26 -1.65 121.76 128.09 1x3d s ALA 92 Ca -0.02 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1x3d s ALA 92 Cb -0.04 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 1x3d s ALA 92 CO -0.03 0.21 -0.22 0.50 0.00 0.00 0.00 175.76 176.22 1x3d s ARG 93 N 0.26 2.54 0.49 0.00 3.52 -1.22 -0.24 118.95 124.30 1x3d s ARG 93 Ca 0.04 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 1x3d s ARG 93 Cb -0.12 -2.04 -0.03 0.00 -1.56 0.00 0.00 34.95 31.20 1x3d s ARG 93 CO 0.00 0.24 0.01 0.54 -0.81 0.00 0.00 175.30 175.28 1x3d s ASN 94 N 0.15 4.08 0.35 -2.12 4.22 -0.32 -0.92 114.94 120.37 1x3d s ASN 94 Ca -0.11 -1.59 0.26 0.00 -2.14 0.00 0.00 52.86 49.29 1x3d s ASN 94 Cb -0.15 0.31 1.16 0.00 1.28 0.00 0.00 41.25 43.85 1x3d s ASN 94 CO 0.06 -0.76 1.20 -0.67 -2.04 0.00 0.00 177.10 174.89 1x3d n ASP 95 N -1.20 0.15 0.00 3.54 -0.08 -1.26 -0.82 116.55 116.88 1x3d n ASP 95 Ca -0.16 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 1x3d n ASP 95 Cb 0.67 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1x3d n ASP 95 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1x3d n TYR 96 N -4.18 0.00 -3.74 -0.67 4.02 -1.26 -5.06 117.16 106.27 1x3d n TYR 96 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 1x3d n TYR 96 Cb 1.23 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 40.06 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 0.64 0.80 3.66 2.72 0.00 -0.00 -5.05 105.19 107.96 1x3d n GLY 97 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.27 4.91 0.65 2.61 2.01 -1.26 -1.18 115.64 121.12 1x3d s THR 98 Ca 0.03 1.47 -0.13 0.00 0.31 0.00 0.00 61.69 63.37 1x3d s THR 98 Cb -0.00 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1x3d s THR 98 CO 0.00 0.02 1.06 -0.94 -0.69 0.00 0.00 174.62 174.07 1x3d s SER 99 N 1.23 5.53 0.36 3.53 1.04 0.66 -4.94 113.70 121.11 1x3d s SER 99 Ca 0.34 1.70 -0.20 0.00 0.48 0.00 0.00 55.95 58.27 1x3d s SER 99 Cb -0.16 -2.51 -0.15 0.00 0.10 0.00 0.00 66.02 63.30 1x3d s SER 99 CO 0.10 -1.34 0.12 0.61 0.98 0.00 0.00 173.24 173.71 1x3d n GLY 100 N -1.56 -2.48 3.78 7.32 0.00 -1.26 -4.41 105.19 106.58 1x3d n GLY 100 Ca 0.08 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.51 3.77 1.36 1.61 0.40 -1.26 -4.53 117.98 117.82 1x3d s PHE 101 Ca 0.56 1.68 -0.20 0.00 -0.60 0.00 0.00 56.93 58.36 1x3d s PHE 101 Cb -0.62 -2.82 0.34 0.00 0.51 0.00 0.00 43.02 40.42 1x3d s PHE 101 CO 0.58 0.34 0.83 -1.13 0.70 0.00 0.00 175.22 176.55 1x3d n SER 102 N 0.95 -3.45 -4.70 1.36 3.41 0.33 -4.89 113.62 106.64 1x3d n SER 102 Ca -0.01 -0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 57.54 1x3d n SER 102 Cb 0.50 -1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.37 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 -4.70 4.33 -0.21 4.33 2.02 -1.26 -4.75 118.70 118.45 1x3d s GLU 103 Ca 0.65 1.88 -0.39 0.00 0.02 0.00 0.00 54.97 57.12 1x3d s GLU 103 Cb -0.15 -3.49 -0.16 0.00 0.10 0.00 0.00 34.13 30.43 1x3d s GLU 103 CO 0.57 -0.48 1.70 0.39 0.02 0.00 0.00 175.26 177.46 1x3d n GLU 104 N 4.93 1.23 -4.58 1.61 4.71 -1.26 -4.79 120.64 122.49 1x3d n GLU 104 Ca 0.12 0.45 -0.33 0.00 -0.01 0.00 0.00 57.16 57.38 1x3d n GLU 104 Cb 0.45 -2.14 -0.13 0.00 -1.01 0.00 0.00 31.44 28.61 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1x3d s VAL 105 N 3.12 3.58 -0.12 2.62 -7.23 -0.91 -4.97 120.40 116.48 1x3d s VAL 105 Ca 0.96 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 60.61 1x3d s VAL 105 Cb -1.03 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 1x3d s VAL 105 CO 0.62 0.53 0.02 -0.22 -0.31 0.00 0.00 175.10 175.74 1x3d s LEU 106 N 0.08 3.66 0.09 1.32 2.96 -1.26 -1.15 118.68 124.37 1x3d s LEU 106 Ca -0.02 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1x3d s LEU 106 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1x3d s LEU 106 CO 0.03 0.31 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.99 1x3d s TYR 107 N -0.44 0.84 -0.18 5.38 2.02 0.13 -4.99 117.35 120.11 1x3d s TYR 107 Ca 0.08 -0.85 -0.00 0.00 -0.37 0.00 0.00 57.07 55.93 1x3d s TYR 107 Cb -0.12 -0.49 0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1x3d s TYR 107 CO 0.02 -0.15 -0.04 0.71 -1.57 0.00 0.00 175.55 174.52 1x3d s TYR 108 N -3.23 1.78 0.89 2.71 1.51 -1.26 -0.45 117.35 119.30 1x3d s TYR 108 Ca 0.08 -1.21 -0.17 0.00 -1.01 0.00 0.00 57.07 54.75 1x3d s TYR 108 Cb 0.03 -1.34 -0.13 0.00 -0.11 0.00 0.00 41.96 40.40 1x3d s TYR 108 CO -0.04 -0.65 -0.55 0.25 -1.11 0.00 0.00 175.55 173.45 1x3d n THR 109 N 4.85 0.07 -1.69 -0.71 -2.24 -1.25 -4.76 114.28 108.54 1x3d n THR 109 Ca -0.12 -0.48 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 1x3d n THR 109 Cb 0.47 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1x3d n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x3d n SER 110 N 2.86 2.98 0.00 3.42 7.64 -1.06 -3.83 113.62 125.64 1x3d n SER 110 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1x3d n SER 110 Cb 0.54 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1x3d n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3d n GLY 111 N 2.11 -0.51 3.81 0.23 0.00 -1.26 -3.94 105.19 105.64 1x3d n GLY 111 Ca 0.11 0.64 -0.32 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.36 1.12 0.00 0.00 1.04 -1.26 -5.09 113.70 106.15 1x3d s SER 113 Ca 0.60 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1x3d s SER 113 Cb -0.15 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1x3d s SER 113 CO 0.47 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1x3d n GLY 114 N -0.55 6.96 3.75 7.32 0.00 -1.26 -5.11 105.19 116.30 1x3d n GLY 114 Ca 0.04 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 1.27 4.42 0.93 1.61 0.04 -1.26 -4.99 135.00 137.03 1x3d s PRO 115 Ca 0.00 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 1x3d s PRO 115 Cb 0.00 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.39 1x3d s PRO 115 CO 0.00 -0.16 0.30 -1.13 0.04 0.00 0.00 177.00 176.05 1x3d n SER 116 N 1.95 -2.38 -3.80 6.66 3.41 -1.26 -5.00 113.62 113.20 1x3d n SER 116 Ca 0.03 0.34 -0.29 0.00 -0.26 0.00 0.00 58.87 58.69 1x3d n SER 116 Cb 0.43 -1.17 -0.16 0.00 -0.26 0.00 0.00 64.21 63.06 1x3d n SER 116 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x3d s SER 117 N -1.87 3.56 0.00 4.04 1.04 -1.26 -5.33 113.70 113.88 1x3d s SER 117 Ca 0.56 -1.20 0.27 0.00 0.48 0.00 0.00 55.95 56.06 1x3d s SER 117 Cb -0.22 -0.87 0.91 0.00 0.10 0.00 0.00 66.02 65.94 1x3d s SER 117 CO 0.68 -0.32 1.67 0.61 0.98 0.00 0.00 173.24 176.86