#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4f s SER 2 N 0.00 2.23 -0.17 1.61 1.04 -1.26 -5.13 113.70 112.03 1x4f s SER 2 Ca 0.00 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.45 1x4f s SER 2 Cb 0.00 0.05 0.13 0.00 0.10 0.00 0.00 66.02 66.30 1x4f s SER 2 CO 0.00 -0.37 1.01 -0.55 0.98 0.00 0.00 173.24 174.31 1x4f s SER 3 N 2.23 -0.36 0.00 7.02 0.15 -1.26 -5.15 113.70 116.32 1x4f s SER 3 Ca 0.07 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1x4f s SER 3 Cb -0.16 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1x4f s SER 3 CO -0.21 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1x4f n GLY 4 N 0.76 1.43 2.22 9.45 0.00 -1.26 -5.13 105.19 112.67 1x4f n GLY 4 Ca -0.10 0.23 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1x4f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4f n SER 5 N 0.00 -0.87 -4.36 1.61 7.64 -1.26 -5.06 113.62 111.31 1x4f n SER 5 Ca 0.00 0.90 -0.28 0.00 1.01 0.00 0.00 58.87 60.50 1x4f n SER 5 Cb 0.00 -3.85 -0.13 0.00 -1.01 0.00 0.00 64.21 59.22 1x4f n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4f s SER 6 N -0.44 3.13 0.00 6.43 0.15 -1.26 -5.08 113.70 116.63 1x4f s SER 6 Ca -0.20 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1x4f s SER 6 Cb 0.01 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1x4f s SER 6 CO 0.53 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.73 1x4f n GLY 7 N 0.96 -0.12 3.36 9.45 0.00 -1.26 -5.08 105.19 112.51 1x4f n GLY 7 Ca -0.18 -0.90 -0.48 0.00 0.00 0.00 0.00 46.02 44.45 1x4f n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4f n LYS 8 N 0.00 0.00 -4.99 1.61 3.00 -1.26 -4.89 118.16 111.63 1x4f n LYS 8 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1x4f n LYS 8 Cb 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 35.03 33.40 1x4f n LYS 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1x4f s LYS 9 N 7.68 1.89 0.00 1.64 3.01 -1.26 -5.01 119.74 127.69 1x4f s LYS 9 Ca 1.28 -1.06 0.15 0.00 -1.01 0.00 0.00 55.97 55.33 1x4f s LYS 9 Cb -1.34 -2.01 0.76 0.00 -1.01 0.00 0.00 37.83 34.24 1x4f s LYS 9 CO 0.55 0.53 1.40 -0.35 0.51 0.00 0.00 175.35 177.99 1x4f n PRO 10 N 1.93 0.24 -1.56 -1.68 -0.04 -1.26 -4.61 135.00 128.01 1x4f n PRO 10 Ca -0.17 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 1x4f n PRO 10 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1x4f n PRO 10 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x4f n GLU 11 N -1.26 0.10 -3.75 0.54 4.71 -1.26 -4.81 120.64 114.92 1x4f n GLU 11 Ca 0.07 -1.62 -0.28 0.00 -0.01 0.00 0.00 57.16 55.32 1x4f n GLU 11 Cb 0.11 -3.85 -0.16 0.00 -1.01 0.00 0.00 31.44 26.53 1x4f n GLU 11 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1x4f s GLY 12 N 8.38 0.81 0.16 0.62 0.00 -1.26 -5.11 107.32 110.92 1x4f s GLY 12 Ca 0.80 -0.89 -0.23 0.00 0.00 0.00 0.00 44.72 44.39 1x4f s GLY 12 CO 0.18 1.41 0.45 0.58 0.00 0.00 0.00 173.10 175.71 1x4f n LYS 13 N 4.99 0.00 -1.08 2.90 0.00 -1.26 -4.92 118.16 118.79 1x4f n LYS 13 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.93 1x4f n LYS 13 Cb 0.46 -0.84 0.24 0.00 -0.00 0.00 0.00 35.03 34.89 1x4f n LYS 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1x4f s PRO 14 N -0.78 -1.16 -1.09 -1.58 0.04 -1.26 -4.97 135.00 124.20 1x4f s PRO 14 Ca 0.53 -0.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.46 1x4f s PRO 14 Cb -0.78 -1.60 0.28 0.00 0.04 0.00 0.00 34.50 32.44 1x4f s PRO 14 CO 0.46 -3.67 1.15 -3.47 0.04 0.00 0.00 177.00 171.51 1x4f n ASP 15 N -4.74 5.56 -4.72 6.66 2.03 -1.26 -5.01 116.55 115.07 1x4f n ASP 15 Ca 0.13 -3.11 -0.26 0.00 0.52 0.00 0.00 54.79 52.07 1x4f n ASP 15 Cb 0.59 -1.33 -0.08 0.00 -0.72 0.00 0.00 41.12 39.58 1x4f n ASP 15 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1x4f s GLN 16 N -1.56 2.17 0.00 -0.67 1.11 -1.26 -5.00 119.66 114.44 1x4f s GLN 16 Ca 0.31 -1.93 0.00 0.00 0.01 0.00 0.00 55.36 53.74 1x4f s GLN 16 Cb -0.07 -1.89 0.00 0.00 -1.01 0.00 0.00 33.01 30.04 1x4f s GLN 16 CO -0.05 -0.13 0.00 1.17 0.01 0.00 0.00 175.29 176.28 1x4f n LYS 17 N -1.20 0.00 -2.75 2.91 4.81 -1.26 -5.07 118.16 115.60 1x4f n LYS 17 Ca -0.03 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.99 1x4f n LYS 17 Cb 0.65 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.68 1x4f n LYS 17 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1x4f s PHE 18 N 0.00 2.84 0.32 5.64 0.40 -1.26 -4.98 117.98 120.94 1x4f s PHE 18 Ca 0.00 -1.15 0.10 0.00 -0.60 0.00 0.00 56.93 55.28 1x4f s PHE 18 Cb 0.00 -4.49 -0.06 0.00 0.51 0.00 0.00 43.02 38.99 1x4f s PHE 18 CO 0.00 -1.70 -0.08 -0.51 0.70 0.00 0.00 175.22 173.63 1x4f s ASP 19 N 4.26 3.92 0.00 1.36 1.01 -1.26 -5.08 116.67 120.88 1x4f s ASP 19 Ca 0.39 -1.03 0.00 0.00 0.71 0.00 0.00 52.55 52.62 1x4f s ASP 19 Cb -0.02 -0.44 0.00 0.00 1.01 0.00 0.00 42.92 43.46 1x4f s ASP 19 CO -0.09 -0.13 0.00 1.67 0.21 0.00 0.00 175.17 176.83 1x4f n GLN 20 N -0.81 0.00 -1.99 8.23 -0.06 -1.26 -5.04 117.38 116.45 1x4f n GLN 20 Ca -0.05 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.91 1x4f n GLN 20 Cb 0.62 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.84 1x4f n GLN 20 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1x4f n LYS 21 N -1.16 0.81 -3.04 3.69 4.81 -1.26 -5.10 118.16 116.91 1x4f n LYS 21 Ca 0.00 -1.24 -0.42 0.00 -0.87 0.00 0.00 58.31 55.78 1x4f n LYS 21 Cb 0.00 0.37 -0.06 0.00 0.02 0.00 0.00 35.03 35.36 1x4f n LYS 21 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1x4f s GLN 22 N -0.08 3.61 0.55 1.64 0.74 -1.26 -4.85 119.66 120.02 1x4f s GLN 22 Ca 0.07 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.54 1x4f s GLN 22 Cb 0.27 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.53 1x4f s GLN 22 CO -0.08 -0.87 0.00 0.39 -0.55 0.00 0.00 175.29 174.19 1x4f n GLU 23 N 6.30 -4.81 -4.65 1.67 1.02 -1.26 -5.01 120.64 113.90 1x4f n GLU 23 Ca 0.01 3.59 -0.23 0.00 -0.02 0.00 0.00 57.16 60.50 1x4f n GLU 23 Cb 0.48 -4.04 -0.15 0.00 -0.02 0.00 0.00 31.44 27.71 1x4f n GLU 23 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x4f s LEU 24 N -3.50 1.95 -0.17 -4.62 1.43 -1.26 -5.12 118.68 107.39 1x4f s LEU 24 Ca 0.00 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1x4f s LEU 24 Cb 0.00 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 1x4f s LEU 24 CO 0.00 0.15 -0.07 -0.83 0.23 0.00 0.00 176.35 175.83 1x4f s GLY 25 N -0.14 1.62 -0.33 -3.19 0.00 -1.26 -5.00 107.32 99.03 1x4f s GLY 25 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1x4f s GLY 25 CO 0.00 0.09 0.03 1.09 0.00 0.00 0.00 173.10 174.31 1x4f s ARG 26 N 0.80 1.87 -0.12 2.90 3.03 -1.22 -4.72 118.95 121.50 1x4f s ARG 26 Ca -0.02 -1.66 -0.02 0.00 2.03 0.00 0.00 55.73 56.06 1x4f s ARG 26 Cb -0.15 -3.18 0.04 0.00 -1.03 0.00 0.00 34.95 30.63 1x4f s ARG 26 CO 0.01 -0.83 0.01 0.08 -1.13 0.00 0.00 175.30 173.45 1x4f s VAL 27 N 1.03 0.43 -0.52 4.99 1.01 -1.26 -3.87 120.40 122.22 1x4f s VAL 27 Ca 0.03 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 1x4f s VAL 27 Cb -0.20 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.49 1x4f s VAL 27 CO -0.06 0.09 0.96 -0.63 0.00 0.00 0.00 175.10 175.46 1x4f s ILE 28 N 1.93 4.39 0.01 2.22 -1.09 0.52 -1.42 121.20 127.76 1x4f s ILE 28 Ca 0.03 0.50 -0.22 0.00 -2.23 0.00 0.00 60.65 58.73 1x4f s ILE 28 Cb -0.14 -4.52 -0.05 0.00 -1.58 0.00 0.00 42.46 36.17 1x4f s ILE 28 CO -0.06 -1.03 0.67 -2.28 -1.23 0.00 0.00 174.94 171.00 1x4f s HIS 29 N 3.96 3.70 -0.27 3.97 5.65 0.12 -0.15 115.29 132.26 1x4f s HIS 29 Ca 0.34 1.31 0.02 0.00 0.25 0.00 0.00 55.06 56.97 1x4f s HIS 29 Cb -0.11 -2.70 0.07 0.00 -1.18 0.00 0.00 32.58 28.66 1x4f s HIS 29 CO 0.22 0.31 -0.02 -0.51 -0.65 0.00 0.00 174.74 174.09 1x4f s LEU 30 N -0.08 3.19 0.10 8.88 1.43 0.74 -1.15 118.68 131.79 1x4f s LEU 30 Ca 0.34 -1.50 0.04 0.00 -1.03 0.00 0.00 54.13 51.98 1x4f s LEU 30 Cb -0.19 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1x4f s LEU 30 CO 0.19 -0.28 0.09 -0.44 0.23 0.00 0.00 176.35 176.14 1x4f s SER 31 N 1.26 5.48 -0.48 2.29 0.01 -0.31 -2.15 113.70 119.80 1x4f s SER 31 Ca -0.00 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 1x4f s SER 31 Cb -0.19 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.60 1x4f s SER 31 CO -0.09 0.14 0.41 -3.20 0.41 0.00 0.00 173.24 170.92 1x4f n ASN 32 N 0.25 -2.77 -4.86 2.44 5.15 -1.24 -0.57 115.26 113.65 1x4f n ASN 32 Ca -0.09 -0.22 -0.31 0.00 -0.60 0.00 0.00 54.58 53.37 1x4f n ASN 32 Cb 0.52 -2.22 -0.03 0.00 -0.53 0.00 0.00 39.78 37.53 1x4f n ASN 32 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4f s LEU 33 N -3.52 3.65 0.00 1.20 1.43 -0.88 -4.16 118.68 116.40 1x4f s LEU 33 Ca 0.10 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1x4f s LEU 33 Cb -0.05 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.90 1x4f s LEU 33 CO 0.27 -0.55 0.00 -0.81 0.23 0.00 0.00 176.35 175.49 1x4f n PRO 34 N -1.67 0.21 -2.68 1.29 -0.04 -1.26 -4.87 135.00 125.97 1x4f n PRO 34 Ca 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1x4f n PRO 34 Cb 0.54 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.05 1x4f n PRO 34 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1x4f n HIS 35 N -1.29 -1.32 -1.26 0.54 1.44 -1.26 -4.97 115.22 107.09 1x4f n HIS 35 Ca 0.00 -1.26 -0.22 0.00 -2.01 0.00 0.00 57.72 54.24 1x4f n HIS 35 Cb 0.00 1.37 0.18 0.00 0.12 0.00 0.00 29.99 31.66 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1x4f n SER 36 N -0.45 3.68 -2.37 4.39 7.64 -1.26 -4.88 113.62 120.36 1x4f n SER 36 Ca -0.15 -3.64 -0.14 0.00 1.01 0.00 0.00 58.87 55.95 1x4f n SER 36 Cb 0.74 -0.82 0.05 0.00 -1.01 0.00 0.00 64.21 63.17 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 37 N -1.14 0.04 3.92 0.23 0.00 -1.26 -5.02 105.19 101.96 1x4f n GLY 37 Ca 0.57 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 1x4f n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x4f s TYR 38 N -3.20 3.39 0.04 1.61 1.13 -1.26 -5.08 117.35 113.98 1x4f s TYR 38 Ca 0.29 0.58 -0.11 0.00 -1.41 0.00 0.00 57.07 56.43 1x4f s TYR 38 Cb -0.13 -2.38 -0.05 0.00 -1.10 0.00 0.00 41.96 38.30 1x4f s TYR 38 CO 0.44 -0.40 0.37 -1.12 -2.51 0.00 0.00 175.55 172.33 1x4f s SER 39 N -4.18 6.65 0.32 -0.18 0.01 -1.26 -4.96 113.70 110.11 1x4f s SER 39 Ca 0.48 0.79 0.19 0.00 1.31 0.00 0.00 55.95 58.72 1x4f s SER 39 Cb -0.10 -2.18 1.18 0.00 0.21 0.00 0.00 66.02 65.13 1x4f s SER 39 CO 0.42 0.24 1.37 -0.90 0.41 0.00 0.00 173.24 174.78 1x4f n ASP 40 N 1.25 0.30 -0.22 2.44 5.68 -1.26 0.41 116.55 125.14 1x4f n ASP 40 Ca -0.11 1.42 -0.03 0.00 -0.50 0.00 0.00 54.79 55.58 1x4f n ASP 40 Cb 0.53 -0.70 0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1x4f n ASP 40 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1x4f h SER 41 N 0.00 -1.01 -1.12 -1.12 0.02 -1.98 0.60 113.55 108.95 1x4f h SER 41 Ca 0.74 0.23 0.31 0.00 -0.84 0.00 0.00 61.79 62.23 1x4f h SER 41 Cb 1.98 0.54 -0.07 0.00 0.14 0.00 0.00 62.40 64.99 1x4f h SER 41 CO -0.65 -0.28 0.77 0.00 -1.14 0.00 0.00 176.83 175.52 1x4f h ALA 42 N 1.24 2.73 0.00 3.77 0.00 -0.43 1.17 119.26 127.75 1x4f h ALA 42 Ca 0.27 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1x4f h ALA 42 Cb 0.54 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1x4f h ALA 42 CO -0.71 -1.11 -0.35 0.28 0.00 0.00 0.00 179.25 177.36 1x4f h VAL 43 N 0.16 0.38 0.00 0.00 2.07 0.08 -3.23 116.25 115.73 1x4f h VAL 43 Ca 0.58 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1x4f h VAL 43 Cb 1.94 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1x4f h VAL 43 CO -0.14 0.22 -0.93 0.18 0.02 0.00 0.00 177.57 176.92 1x4f n LEU 44 N -3.11 0.65 0.32 2.57 4.77 0.36 -3.97 117.00 118.59 1x4f n LEU 44 Ca 0.02 0.12 0.19 0.00 -0.03 0.00 0.00 56.01 56.31 1x4f n LEU 44 Cb 0.63 -0.12 1.08 0.00 -2.33 0.00 0.00 43.42 42.69 1x4f n LEU 44 CO 0.38 -0.03 1.16 0.11 -1.33 0.00 0.00 177.39 177.68 1x4f h LYS 45 N 0.00 0.00 -0.02 3.23 6.56 -0.32 0.32 116.57 126.33 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1x4f h LYS 45 Cb 0.79 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 1x4f h LYS 45 CO 0.00 0.00 0.00 1.47 -2.06 0.00 0.00 179.45 178.86 1x4f n LEU 46 N -3.42 1.11 0.00 2.94 -0.00 -1.25 -3.73 117.00 112.65 1x4f n LEU 46 Ca -0.03 -0.38 0.00 0.00 -0.00 0.00 0.00 56.01 55.60 1x4f n LEU 46 Cb 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1x4f n LEU 46 CO 0.23 0.19 -0.18 0.00 -0.00 0.00 0.00 177.39 177.63 1x4f n ALA 47 N -0.12 1.50 0.29 1.47 0.00 0.84 -4.73 120.51 119.75 1x4f n ALA 47 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1x4f n ALA 47 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 1x4f n ALA 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4f h GLU 48 N 0.00 -0.93 0.00 0.00 4.39 -0.87 0.79 114.58 117.96 1x4f h GLU 48 Ca 0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1x4f h GLU 48 Cb 0.00 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1x4f h GLU 48 CO 0.00 -0.62 0.00 -0.35 -1.16 0.00 0.00 179.01 176.88 1x4f n PRO 49 N -5.33 0.49 -0.11 2.33 -0.04 -1.26 -2.64 135.00 128.44 1x4f n PRO 49 Ca -0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.20 1x4f n PRO 49 Cb 0.44 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1x4f n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x4f n TYR 50 N -0.85 0.00 0.00 0.54 4.01 -0.54 -5.09 117.16 115.22 1x4f n TYR 50 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1x4f n TYR 50 Cb 0.04 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.22 1x4f n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4f n GLY 51 N 2.42 0.62 3.63 2.72 0.00 0.16 -4.50 105.19 110.23 1x4f n GLY 51 Ca -0.38 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1x4f n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 52 N -2.00 3.74 -0.83 1.61 1.02 -1.26 -4.33 119.74 117.69 1x4f s LYS 52 Ca 0.00 1.74 -0.25 0.00 0.02 0.00 0.00 55.97 57.48 1x4f s LYS 52 Cb 0.00 -4.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 1x4f s LYS 52 CO 0.00 -1.36 1.87 0.42 -0.92 0.00 0.00 175.35 175.36 1x4f s ILE 53 N 5.47 3.46 0.33 2.17 1.09 -1.26 -0.50 121.20 131.96 1x4f s ILE 53 Ca 0.75 -0.23 0.19 0.00 -1.10 0.00 0.00 60.65 60.26 1x4f s ILE 53 Cb -0.27 -4.09 0.16 0.00 -1.06 0.00 0.00 42.46 37.21 1x4f s ILE 53 CO 0.31 -1.03 1.87 0.11 -0.10 0.00 0.00 174.94 176.10 1x4f h LYS 54 N 12.12 0.00 -2.24 2.79 6.56 -1.70 -3.46 116.57 130.64 1x4f h LYS 54 Ca 0.00 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 1x4f h LYS 54 Cb 1.05 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.54 1x4f h LYS 54 CO 1.23 0.30 0.36 1.21 -2.06 0.00 0.00 179.45 180.49 1x4f s ASN 55 N -6.58 -0.49 0.07 0.86 2.47 -1.17 -5.04 114.94 105.06 1x4f s ASN 55 Ca -0.02 0.26 -0.16 0.00 0.42 0.00 0.00 52.86 53.36 1x4f s ASN 55 Cb 0.13 0.46 0.03 0.00 -1.45 0.00 0.00 41.25 40.42 1x4f s ASN 55 CO 0.67 -0.65 0.38 -0.72 -3.72 0.00 0.00 177.10 173.07 1x4f s TYR 56 N -2.39 -0.20 -0.06 0.43 1.13 -1.26 -0.06 117.35 114.94 1x4f s TYR 56 Ca -0.01 0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 55.69 1x4f s TYR 56 Cb -0.01 0.20 0.03 0.00 -1.10 0.00 0.00 41.96 41.08 1x4f s TYR 56 CO -0.03 -0.60 -0.01 0.42 -2.51 0.00 0.00 175.55 172.83 1x4f s ILE 57 N -2.93 0.37 -0.43 -3.49 -1.09 0.14 -4.94 121.20 108.83 1x4f s ILE 57 Ca -0.02 0.08 -0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1x4f s ILE 57 Cb 0.00 -0.50 0.11 0.00 -1.58 0.00 0.00 42.46 40.50 1x4f s ILE 57 CO -0.06 0.24 0.22 -0.22 -1.23 0.00 0.00 174.94 173.89 1x4f s LEU 58 N 1.66 5.25 -0.18 2.97 1.98 -1.26 -0.63 118.68 128.47 1x4f s LEU 58 Ca 0.00 -2.11 -0.09 0.00 -2.89 0.00 0.00 54.13 49.05 1x4f s LEU 58 Cb -0.13 -1.83 -0.05 0.00 0.66 0.00 0.00 46.19 44.85 1x4f s LEU 58 CO -0.04 -0.53 0.10 -0.04 -1.89 0.00 0.00 176.35 173.96 1x4f s MET 59 N 1.03 4.02 0.15 1.98 -1.94 0.23 -4.98 119.30 119.80 1x4f s MET 59 Ca 0.09 -0.27 0.22 0.00 -1.71 0.00 0.00 55.69 54.03 1x4f s MET 59 Cb -0.23 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 33.25 1x4f s MET 59 CO -0.04 0.34 0.94 0.54 -0.01 0.00 0.00 175.02 176.78 1x4f n ARG 60 N 3.37 0.60 -0.13 2.03 1.74 -1.26 -1.65 116.66 121.36 1x4f n ARG 60 Ca -0.17 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 56.94 1x4f n ARG 60 Cb 0.52 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1x4f n ARG 60 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1x4f n MET 61 N -2.57 -0.14 -0.67 5.56 1.56 -1.26 -2.41 117.12 117.19 1x4f n MET 61 Ca -0.01 1.14 0.02 0.00 -0.27 0.00 0.00 57.70 58.58 1x4f n MET 61 Cb 0.55 -1.70 0.20 0.00 2.15 0.00 0.00 33.22 34.43 1x4f n MET 61 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1x4f n LYS 62 N -3.70 1.70 -3.86 2.12 4.76 -1.26 -4.95 118.16 112.97 1x4f n LYS 62 Ca 0.01 -3.23 -0.27 0.00 -2.87 0.00 0.00 58.31 51.95 1x4f n LYS 62 Cb 0.08 -1.70 0.02 0.00 -1.84 0.00 0.00 35.03 31.59 1x4f n LYS 62 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x4f n SER 63 N -1.12 -2.86 -4.65 4.39 2.88 -1.01 -4.56 113.62 106.69 1x4f n SER 63 Ca 0.25 -0.84 -0.24 0.00 -1.33 0.00 0.00 58.87 56.71 1x4f n SER 63 Cb 0.84 -3.77 -0.08 0.00 -0.75 0.00 0.00 64.21 60.45 1x4f n SER 63 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1x4f s GLN 64 N -6.40 2.13 -0.09 -1.46 -0.21 -0.66 -2.07 119.66 110.89 1x4f s GLN 64 Ca 0.35 -1.73 -0.30 0.00 0.02 0.00 0.00 55.36 53.70 1x4f s GLN 64 Cb -0.18 -1.96 0.08 0.00 1.00 0.00 0.00 33.01 31.95 1x4f s GLN 64 CO 0.84 0.12 0.75 0.00 -2.12 0.00 0.00 175.29 174.87 1x4f s ALA 65 N -2.51 -1.80 -0.21 6.09 0.00 -0.92 -0.60 121.76 121.80 1x4f s ALA 65 Ca 0.35 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.77 1x4f s ALA 65 Cb -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1x4f s ALA 65 CO 0.20 -0.35 -0.08 -0.06 0.00 0.00 0.00 175.76 175.47 1x4f s PHE 66 N -1.00 2.41 -0.36 0.00 0.40 0.20 -0.18 117.98 119.44 1x4f s PHE 66 Ca -0.08 -1.66 -0.10 0.00 -0.60 0.00 0.00 56.93 54.49 1x4f s PHE 66 Cb -0.01 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1x4f s PHE 66 CO 0.07 -0.75 0.18 0.42 0.70 0.00 0.00 175.22 175.84 1x4f s ILE 67 N 1.40 4.48 -0.45 0.64 1.01 0.78 0.26 121.20 129.32 1x4f s ILE 67 Ca -0.03 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 1x4f s ILE 67 Cb -0.17 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.86 1x4f s ILE 67 CO -0.07 -0.16 0.84 -0.70 0.00 0.00 0.00 174.94 174.84 1x4f s GLU 68 N 1.55 3.47 0.98 2.79 2.12 0.91 -0.36 118.70 130.16 1x4f s GLU 68 Ca 0.02 0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.24 1x4f s GLU 68 Cb -0.19 -3.93 0.18 0.00 0.26 0.00 0.00 34.13 30.45 1x4f s GLU 68 CO 0.06 -1.14 1.10 -1.64 -0.54 0.00 0.00 175.26 173.09 1x4f s MET 69 N 3.45 0.57 0.26 4.30 -1.94 -1.25 -2.32 119.30 122.36 1x4f s MET 69 Ca 0.33 0.52 0.02 0.00 -1.71 0.00 0.00 55.69 54.85 1x4f s MET 69 Cb -0.11 -1.75 0.33 0.00 2.01 0.00 0.00 34.83 35.31 1x4f s MET 69 CO 0.24 -2.64 1.65 1.49 -0.01 0.00 0.00 175.02 175.75 1x4f h GLU 70 N -1.82 0.43 -3.64 2.03 4.81 -1.08 -3.41 114.58 111.90 1x4f h GLU 70 Ca -0.54 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.33 1x4f h GLU 70 Cb 1.33 -0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.48 1x4f h GLU 70 CO 0.58 0.75 -0.57 0.95 -0.73 0.00 0.00 179.01 179.99 1x4f s THR 71 N -4.24 0.08 0.37 0.32 -4.23 -1.26 -5.02 115.64 101.65 1x4f s THR 71 Ca -0.06 -0.65 0.14 0.00 -1.18 0.00 0.00 61.69 59.94 1x4f s THR 71 Cb 0.13 -0.34 0.36 0.00 1.34 0.00 0.00 72.50 73.98 1x4f s THR 71 CO 0.80 -0.36 1.79 -0.09 -0.54 0.00 0.00 174.62 176.22 1x4f h ARG 72 N 4.64 0.50 -0.10 3.99 2.43 -1.94 -2.06 114.38 121.84 1x4f h ARG 72 Ca -0.30 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1x4f h ARG 72 Cb 1.20 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 1x4f h ARG 72 CO 0.41 0.33 -0.49 0.93 -1.51 0.00 0.00 179.97 179.64 1x4f h GLU 73 N 0.52 -0.52 0.18 0.20 3.07 -1.98 0.51 114.58 116.55 1x4f h GLU 73 Ca 0.57 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1x4f h GLU 73 Cb 1.24 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.24 1x4f h GLU 73 CO -0.31 -0.35 -0.37 -0.44 -1.40 0.00 0.00 179.01 176.14 1x4f h ASP 74 N -0.54 -1.09 -0.89 1.42 3.32 -1.60 0.79 116.42 117.83 1x4f h ASP 74 Ca 0.03 0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.30 1x4f h ASP 74 Cb 0.62 0.39 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 1x4f h ASP 74 CO -0.38 -0.42 -0.46 0.00 -1.72 0.00 0.00 179.24 176.25 1x4f h ALA 75 N -0.94 -0.18 -0.93 3.45 0.00 -1.36 0.54 119.26 119.84 1x4f h ALA 75 Ca -0.02 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1x4f h ALA 75 Cb 0.57 1.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 1x4f h ALA 75 CO -0.15 -0.78 0.59 0.52 0.00 0.00 0.00 179.25 179.42 1x4f h MET 76 N -0.06 1.02 -0.57 0.00 2.86 -0.61 -1.18 114.93 116.39 1x4f h MET 76 Ca 0.25 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1x4f h MET 76 Cb 0.53 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1x4f h MET 76 CO -0.90 0.68 0.27 0.00 1.06 0.00 0.00 176.91 178.02 1x4f h ALA 77 N 1.44 1.41 0.55 6.32 0.00 0.24 -1.52 119.26 127.70 1x4f h ALA 77 Ca 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1x4f h ALA 77 Cb 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1x4f h ALA 77 CO -0.18 0.47 -0.27 1.98 0.00 0.00 0.00 179.25 181.25 1x4f h MET 78 N 0.80 -0.71 -0.98 0.00 4.05 0.41 -1.56 114.93 116.93 1x4f h MET 78 Ca 0.20 0.05 0.21 0.00 -0.28 0.00 0.00 59.70 59.88 1x4f h MET 78 Cb 0.09 0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 30.96 1x4f h MET 78 CO -0.03 -0.48 0.62 -0.39 0.23 0.00 0.00 176.91 176.87 1x4f h VAL 79 N -0.99 0.65 0.16 -5.77 -1.51 -1.38 -1.31 116.25 106.10 1x4f h VAL 79 Ca -0.08 -0.20 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 1x4f h VAL 79 Cb 0.57 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 1x4f h VAL 79 CO 0.12 0.11 -0.08 -0.78 -1.23 0.00 0.00 177.57 175.71 1x4f h ASP 80 N 0.58 -0.18 -0.32 4.19 3.58 -1.25 -2.52 116.42 120.50 1x4f h ASP 80 Ca 0.55 -0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.92 1x4f h ASP 80 Cb 1.12 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1x4f h ASP 80 CO -0.31 0.07 0.65 -0.74 -2.88 0.00 0.00 179.24 176.04 1x4f h HIS 81 N -0.44 0.00 0.05 0.28 2.76 -0.18 0.96 115.15 118.58 1x4f h HIS 81 Ca -0.02 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.92 1x4f h HIS 81 Cb 0.34 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1x4f h HIS 81 CO 0.00 0.00 -1.05 0.00 -1.30 0.00 0.00 177.93 175.58 1x4f h LEU 83 N 0.07 -0.29 -0.19 0.00 3.38 0.10 -3.28 115.31 115.10 1x4f h LEU 83 Ca -0.07 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1x4f h LEU 83 Cb 1.75 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 1x4f h LEU 83 CO 0.16 0.03 -0.15 0.11 0.09 0.00 0.00 178.44 178.68 1x4f h LYS 84 N -0.63 0.43 -6.66 1.13 6.56 -1.63 -3.45 116.57 112.33 1x4f h LYS 84 Ca -0.03 -0.22 -0.67 0.00 -1.06 0.00 0.00 60.65 58.67 1x4f h LYS 84 Cb 0.45 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 31.86 1x4f h LYS 84 CO 0.06 0.77 -0.87 0.21 -2.06 0.00 0.00 179.45 177.56 1x4f s LYS 85 N -4.39 1.60 -0.11 3.15 2.20 -0.61 -5.11 119.74 116.47 1x4f s LYS 85 Ca -0.14 -1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 54.02 1x4f s LYS 85 Cb 0.06 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.50 1x4f s LYS 85 CO 0.77 0.47 1.12 0.00 -0.36 0.00 0.00 175.35 177.35 1x4f s ALA 86 N -0.89 3.51 -0.18 3.13 0.00 -1.26 -3.56 121.76 122.51 1x4f s ALA 86 Ca 0.11 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 1x4f s ALA 86 Cb -0.10 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1x4f s ALA 86 CO 0.03 -0.79 0.74 -1.17 0.00 0.00 0.00 175.76 174.57 1x4f s LEU 87 N 2.41 4.16 -0.22 0.00 0.20 -1.26 -5.04 118.68 118.93 1x4f s LEU 87 Ca 0.52 1.02 -0.02 0.00 0.69 0.00 0.00 54.13 56.34 1x4f s LEU 87 Cb -0.21 -3.08 0.01 0.00 -0.43 0.00 0.00 46.19 42.48 1x4f s LEU 87 CO 0.18 -0.35 -0.08 0.26 -0.29 0.00 0.00 176.35 176.07 1x4f s TRP 88 N 2.06 2.96 -0.25 5.38 0.52 -1.26 -3.96 118.94 124.40 1x4f s TRP 88 Ca 0.34 -1.34 0.00 0.00 0.02 0.00 0.00 56.10 55.12 1x4f s TRP 88 Cb -0.16 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.15 1x4f s TRP 88 CO 0.11 -0.68 -0.09 0.12 0.02 0.00 0.00 176.95 176.44 1x4f s PHE 89 N 1.38 3.12 -1.63 -1.98 5.36 -0.44 -4.65 117.98 119.14 1x4f s PHE 89 Ca 0.03 -1.86 -0.03 0.00 -0.96 0.00 0.00 56.93 54.11 1x4f s PHE 89 Cb -0.15 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1x4f s PHE 89 CO -0.06 -0.80 0.44 1.04 -1.46 0.00 0.00 175.22 174.38 1x4f n GLN 90 N 4.58 -4.03 -2.74 10.12 1.13 -1.26 -2.14 117.38 123.05 1x4f n GLN 90 Ca -0.16 0.94 -0.07 0.00 -1.94 0.00 0.00 57.00 55.78 1x4f n GLN 90 Cb 0.45 -5.76 0.02 0.00 0.11 0.00 0.00 30.24 25.06 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x4f n GLY 91 N -1.39 0.45 3.01 1.08 0.00 -1.26 -5.02 105.19 102.06 1x4f n GLY 91 Ca -0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1x4f n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 92 N -5.25 0.36 -0.30 1.61 1.81 -0.91 -5.04 118.95 111.22 1x4f s ARG 92 Ca 0.15 -0.58 -0.03 0.00 -1.72 0.00 0.00 55.73 53.55 1x4f s ARG 92 Cb -0.07 0.14 0.03 0.00 -0.45 0.00 0.00 34.95 34.60 1x4f s ARG 92 CO 0.19 -0.07 2.69 0.00 -0.68 0.00 0.00 175.30 177.43 1x4f n VAL 94 N 1.09 1.05 -3.09 0.00 3.14 -1.25 -4.91 118.33 114.36 1x4f n VAL 94 Ca 0.39 -0.26 -0.41 0.00 -2.96 0.00 0.00 64.34 61.10 1x4f n VAL 94 Cb 0.63 -0.81 -0.06 0.00 -1.06 0.00 0.00 33.84 32.53 1x4f n VAL 94 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1x4f s LYS 95 N -0.54 3.95 -0.40 1.45 2.47 0.26 -4.76 119.74 122.18 1x4f s LYS 95 Ca 0.71 0.39 -0.06 0.00 -1.56 0.00 0.00 55.97 55.45 1x4f s LYS 95 Cb -0.85 -3.71 0.08 0.00 -1.46 0.00 0.00 37.83 31.90 1x4f s LYS 95 CO 0.53 -0.55 0.20 0.54 0.16 0.00 0.00 175.35 176.23 1x4f s VAL 96 N 2.63 3.73 0.03 4.02 0.11 -1.26 -1.16 120.40 128.50 1x4f s VAL 96 Ca 0.26 -1.60 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1x4f s VAL 96 Cb -0.15 -3.34 -0.02 0.00 -1.53 0.00 0.00 36.38 31.34 1x4f s VAL 96 CO 0.11 -0.50 -0.05 -1.81 -3.33 0.00 0.00 175.10 169.53 1x4f s ASP 97 N 1.89 0.51 -0.02 3.54 1.01 -0.30 -4.47 116.67 118.83 1x4f s ASP 97 Ca 0.03 -0.59 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 1x4f s ASP 97 Cb -0.22 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 1x4f s ASP 97 CO -0.00 -0.31 1.23 -0.76 0.21 0.00 0.00 175.17 175.54 1x4f s LEU 98 N -1.72 4.30 -0.02 1.23 1.02 -1.26 0.16 118.68 122.38 1x4f s LEU 98 Ca -0.10 1.90 -0.25 0.00 0.02 0.00 0.00 54.13 55.70 1x4f s LEU 98 Cb -0.07 -3.56 -0.19 0.00 0.02 0.00 0.00 46.19 42.39 1x4f s LEU 98 CO -0.02 -0.58 1.18 0.77 0.02 0.00 0.00 176.35 177.73 1x4f h SER 99 N 7.38 -0.11 0.00 2.29 4.64 -1.60 -3.46 113.55 122.68 1x4f h SER 99 Ca -0.36 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1x4f h SER 99 Cb 1.17 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1x4f h SER 99 CO 0.87 0.36 0.00 1.21 -0.87 0.00 0.00 176.83 178.40 1x4f n GLU 100 N -4.93 0.00 -0.24 4.77 0.00 -1.26 -4.74 120.64 114.24 1x4f n GLU 100 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.97 1x4f n GLU 100 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.61 1x4f n GLU 100 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1x4f h LYS 101 N 0.00 -0.15 -6.13 5.31 3.64 -1.94 -3.36 116.57 113.94 1x4f h LYS 101 Ca 0.00 0.01 -0.58 0.00 -1.27 0.00 0.00 60.65 58.81 1x4f h LYS 101 Cb 0.00 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1x4f h LYS 101 CO 0.00 -0.10 0.74 0.71 -2.27 0.00 0.00 179.45 178.53 1x4f s TYR 102 N -5.16 3.22 0.21 1.91 2.02 -1.26 -4.92 117.35 113.37 1x4f s TYR 102 Ca -0.11 1.22 -0.04 0.00 -0.37 0.00 0.00 57.07 57.77 1x4f s TYR 102 Cb 0.08 -3.46 0.18 0.00 -0.40 0.00 0.00 41.96 38.37 1x4f s TYR 102 CO 0.52 -0.63 1.62 0.87 -1.57 0.00 0.00 175.55 176.36 1x4f h LYS 103 N 7.88 0.76 -3.32 -0.62 1.57 -1.92 -3.41 116.57 117.50 1x4f h LYS 103 Ca -0.21 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1x4f h LYS 103 Cb 1.07 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.24 1x4f h LYS 103 CO 0.99 0.93 0.01 -1.59 -0.57 0.00 0.00 179.45 179.21 1x4f s LYS 104 N -4.55 1.26 -0.98 3.15 0.00 -1.26 -3.44 119.74 113.92 1x4f s LYS 104 Ca -0.09 -0.78 -0.14 0.00 0.00 0.00 0.00 55.97 54.97 1x4f s LYS 104 Cb 0.13 0.51 0.21 0.00 0.00 0.00 0.00 37.83 38.68 1x4f s LYS 104 CO 0.84 -0.52 1.03 -0.51 0.00 0.00 0.00 175.35 176.18 1x4f s LEU 105 N -2.84 6.06 -0.64 2.77 1.43 -1.26 -4.99 118.68 119.21 1x4f s LEU 105 Ca 0.06 -2.84 -0.17 0.00 -1.03 0.00 0.00 54.13 50.15 1x4f s LEU 105 Cb 0.00 -2.28 0.14 0.00 0.03 0.00 0.00 46.19 44.08 1x4f s LEU 105 CO -0.07 -0.62 0.67 -0.69 0.23 0.00 0.00 176.35 175.87 1x4f s VAL 106 N 0.51 5.10 0.16 -1.59 1.01 -1.26 -4.93 120.40 119.40 1x4f s VAL 106 Ca 0.28 -1.49 -0.33 0.00 0.00 0.00 0.00 61.98 60.43 1x4f s VAL 106 Cb -0.08 -4.45 -0.13 0.00 0.00 0.00 0.00 36.38 31.71 1x4f s VAL 106 CO -0.08 -1.05 1.63 -0.24 0.00 0.00 0.00 175.10 175.36 1x4f n SER 107 N 5.52 3.31 0.00 3.32 2.88 -1.26 -4.86 113.62 122.53 1x4f n SER 107 Ca -0.04 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1x4f n SER 107 Cb 0.43 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1x4f n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4f n GLY 108 N 3.58 -1.84 3.77 0.46 0.00 -1.26 -5.16 105.19 104.74 1x4f n GLY 108 Ca 0.17 0.82 -0.38 0.00 0.00 0.00 0.00 46.02 46.64 1x4f n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4f s PRO 109 N 0.00 3.88 -0.01 1.61 0.04 -1.26 -4.67 135.00 134.59 1x4f s PRO 109 Ca 0.00 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1x4f s PRO 109 Cb 0.00 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1x4f s PRO 109 CO 0.00 -0.46 0.03 0.45 0.04 0.00 0.00 177.00 177.05 1x4f n SER 110 N -0.24 -3.56 -0.28 6.66 2.88 -1.26 -4.84 113.62 112.99 1x4f n SER 110 Ca 0.06 0.57 0.08 0.00 -1.33 0.00 0.00 58.87 58.25 1x4f n SER 110 Cb 0.47 -2.41 0.21 0.00 -0.75 0.00 0.00 64.21 61.74 1x4f n SER 110 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x4f h SER 111 N 1.40 -0.21 0.00 -3.46 0.87 -2.07 -3.56 113.55 106.52 1x4f h SER 111 Ca -0.06 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1x4f h SER 111 Cb 0.14 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1x4f h SER 111 CO 0.00 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.74