#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 -0.25 -0.12 1.61 1.04 -1.26 -5.16 113.70 109.56 1x4f s SER 2 Ca 0.00 0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 1x4f s SER 2 Cb 0.00 1.24 0.06 0.00 0.10 0.00 0.00 66.02 67.42 1x4f s SER 2 CO 0.00 -0.05 0.26 -0.55 0.98 0.00 0.00 173.24 173.89 1x4f s SER 3 N 2.61 0.10 0.00 7.02 0.15 -1.26 -5.05 113.70 117.26 1x4f s SER 3 Ca -0.03 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1x4f s SER 3 Cb -0.06 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1x4f s SER 3 CO -0.12 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1x4f n GLY 4 N 4.92 -0.44 3.66 9.45 0.00 -1.26 -5.18 105.19 116.34 1x4f n GLY 4 Ca -0.14 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1x4f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4f s SER 5 N 0.00 4.45 0.07 1.61 1.04 -1.26 -5.14 113.70 114.47 1x4f s SER 5 Ca 0.00 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.72 1x4f s SER 5 Cb 0.00 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 1x4f s SER 5 CO 0.00 -0.14 -0.16 -0.94 0.98 0.00 0.00 173.24 172.97 1x4f s SER 6 N -3.73 3.96 0.00 7.02 1.04 -1.26 -5.11 113.70 115.62 1x4f s SER 6 Ca 0.34 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1x4f s SER 6 Cb -0.04 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1x4f s SER 6 CO 0.20 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.26 1x4f n GLY 7 N 1.23 -1.13 2.92 7.32 0.00 -1.26 -5.17 105.19 109.11 1x4f n GLY 7 Ca -0.16 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1x4f n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4f s LYS 8 N -1.86 0.26 -0.50 1.61 -2.85 -1.26 -5.10 119.74 110.04 1x4f s LYS 8 Ca 0.00 -0.11 0.04 0.00 -1.00 0.00 0.00 55.97 54.90 1x4f s LYS 8 Cb 0.00 -0.25 0.17 0.00 -2.06 0.00 0.00 37.83 35.69 1x4f s LYS 8 CO 0.00 0.06 0.38 0.21 0.10 0.00 0.00 175.35 176.10 1x4f s LYS 9 N -0.05 1.38 -0.22 1.78 2.47 -1.26 -5.10 119.74 118.74 1x4f s LYS 9 Ca 0.01 -2.45 -0.29 0.00 -1.56 0.00 0.00 55.97 51.68 1x4f s LYS 9 Cb -0.01 -2.06 -0.03 0.00 -1.46 0.00 0.00 37.83 34.27 1x4f s LYS 9 CO -0.00 -1.34 1.61 -1.25 0.16 0.00 0.00 175.35 174.53 1x4f s PRO 10 N -0.34 3.81 -0.16 4.03 0.04 -1.26 -4.89 135.00 136.22 1x4f s PRO 10 Ca 0.29 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1x4f s PRO 10 Cb -0.01 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.45 1x4f s PRO 10 CO -0.17 -1.28 -0.31 -1.91 0.04 0.00 0.00 177.00 173.37 1x4f n GLU 11 N 7.63 0.48 -3.56 4.56 2.13 -1.26 -5.04 120.64 125.58 1x4f n GLU 11 Ca 0.19 0.20 -0.32 0.00 0.66 0.00 0.00 57.16 57.89 1x4f n GLU 11 Cb 0.45 -1.34 0.02 0.00 0.27 0.00 0.00 31.44 30.84 1x4f n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x4f n GLY 12 N 1.47 -0.47 3.81 8.31 0.00 -1.26 -4.91 105.19 112.14 1x4f n GLY 12 Ca -0.12 0.87 -0.37 0.00 0.00 0.00 0.00 46.02 46.39 1x4f n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4f s LYS 13 N -3.48 4.23 0.00 1.61 -2.85 -1.26 -5.03 119.74 112.96 1x4f s LYS 13 Ca 0.20 0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 55.67 1x4f s LYS 13 Cb -0.02 -3.08 -0.06 0.00 -2.06 0.00 0.00 37.83 32.61 1x4f s LYS 13 CO 0.85 0.53 1.45 -1.25 0.10 0.00 0.00 175.35 177.02 1x4f s PRO 14 N -1.53 4.26 -0.29 1.78 0.04 -1.26 -4.98 135.00 133.02 1x4f s PRO 14 Ca 0.36 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.47 1x4f s PRO 14 Cb -0.18 -3.60 0.19 0.00 0.04 0.00 0.00 34.50 30.94 1x4f s PRO 14 CO 0.21 -0.62 0.56 0.34 0.04 0.00 0.00 177.00 177.53 1x4f s ASP 15 N 2.04 -1.26 0.02 6.66 -1.08 -1.26 -5.16 116.67 116.63 1x4f s ASP 15 Ca 0.66 0.17 -0.28 0.00 -0.52 0.00 0.00 52.55 52.58 1x4f s ASP 15 Cb -0.32 1.89 0.09 0.00 -1.46 0.00 0.00 42.92 43.11 1x4f s ASP 15 CO 0.27 -0.30 0.76 0.00 0.52 0.00 0.00 175.17 176.42 1x4f s GLN 16 N 2.78 0.99 -0.06 4.34 0.00 -1.26 -5.01 119.66 121.45 1x4f s GLN 16 Ca 0.11 -0.16 -0.31 0.00 -0.00 0.00 0.00 55.36 55.00 1x4f s GLN 16 Cb -0.11 0.46 0.12 0.00 0.00 0.00 0.00 33.01 33.49 1x4f s GLN 16 CO -0.26 -0.39 1.36 -1.59 0.00 0.00 0.00 175.29 174.41 1x4f s LYS 17 N -2.60 0.19 -0.27 9.60 -2.85 -1.26 -5.08 119.74 117.48 1x4f s LYS 17 Ca -0.01 -0.12 -0.22 0.00 -1.00 0.00 0.00 55.97 54.62 1x4f s LYS 17 Cb -0.01 0.06 0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1x4f s LYS 17 CO -0.04 -0.09 0.38 0.34 0.10 0.00 0.00 175.35 176.04 1x4f n PHE 18 N -0.65 -1.67 -1.32 1.78 7.35 -1.26 -4.43 117.46 117.27 1x4f n PHE 18 Ca -0.04 0.70 -0.45 0.00 -0.76 0.00 0.00 57.45 56.89 1x4f n PHE 18 Cb 0.62 -1.56 -0.13 0.00 0.35 0.00 0.00 39.48 38.75 1x4f n PHE 18 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1x4f n ASP 19 N 0.42 0.44 -4.54 -2.13 2.03 -1.26 -4.86 116.55 106.65 1x4f n ASP 19 Ca -0.05 0.35 -0.37 0.00 0.52 0.00 0.00 54.79 55.24 1x4f n ASP 19 Cb 0.59 -0.86 -0.11 0.00 -0.72 0.00 0.00 41.12 40.02 1x4f n ASP 19 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1x4f s GLN 20 N 7.36 3.85 0.00 -0.67 2.00 -1.26 -4.87 119.66 126.07 1x4f s GLN 20 Ca 1.22 -0.37 0.00 0.00 -2.00 0.00 0.00 55.36 54.20 1x4f s GLN 20 Cb -1.27 -3.51 0.00 0.00 0.80 0.00 0.00 33.01 29.03 1x4f s GLN 20 CO 0.52 -0.15 0.00 1.17 -0.50 0.00 0.00 175.29 176.33 1x4f n LYS 21 N 4.90 0.00 -0.26 1.67 4.81 -1.26 -4.84 118.16 123.17 1x4f n LYS 21 Ca -0.15 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.32 1x4f n LYS 21 Cb 0.52 -0.43 0.08 0.00 0.02 0.00 0.00 35.03 35.23 1x4f n LYS 21 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x4f n GLN 22 N -1.83 -0.09 -3.44 1.64 6.02 -1.26 -3.84 117.38 114.58 1x4f n GLN 22 Ca 0.00 1.12 -0.17 0.00 -0.01 0.00 0.00 57.00 57.94 1x4f n GLN 22 Cb 0.05 -1.67 -0.11 0.00 1.02 0.00 0.00 30.24 29.53 1x4f n GLN 22 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1x4f s GLU 23 N -5.86 0.27 0.13 -1.09 -6.30 -1.26 -5.13 118.70 99.46 1x4f s GLU 23 Ca -0.11 0.05 -0.30 0.00 -2.50 0.00 0.00 54.97 52.11 1x4f s GLU 23 Cb 0.18 -0.87 -0.07 0.00 0.00 0.00 0.00 34.13 33.38 1x4f s GLU 23 CO 0.55 -0.84 1.10 -0.51 0.02 0.00 0.00 175.26 175.58 1x4f s LEU 24 N 2.36 4.45 -0.15 2.70 1.02 -1.25 -5.02 118.68 122.79 1x4f s LEU 24 Ca 0.09 2.01 -0.17 0.00 0.02 0.00 0.00 54.13 56.07 1x4f s LEU 24 Cb -0.15 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.43 1x4f s LEU 24 CO -0.23 -0.27 0.45 -0.83 0.02 0.00 0.00 176.35 175.49 1x4f s GLY 25 N 0.28 2.27 -0.37 -3.19 0.00 -1.26 -5.05 107.32 100.00 1x4f s GLY 25 Ca 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 1x4f s GLY 25 CO 0.32 0.80 0.12 0.50 0.00 0.00 0.00 173.10 174.85 1x4f s ARG 26 N 0.91 2.10 -0.16 2.90 0.52 -1.26 -4.85 118.95 119.11 1x4f s ARG 26 Ca 0.23 -1.64 -0.03 0.00 -0.52 0.00 0.00 55.73 53.78 1x4f s ARG 26 Cb -0.15 -3.42 0.05 0.00 0.52 0.00 0.00 34.95 31.95 1x4f s ARG 26 CO 0.09 -0.91 0.04 0.08 0.02 0.00 0.00 175.30 174.62 1x4f s VAL 27 N 1.16 0.39 -0.42 3.52 1.01 -1.26 -3.63 120.40 121.18 1x4f s VAL 27 Ca 0.04 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1x4f s VAL 27 Cb -0.21 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1x4f s VAL 27 CO -0.03 -0.11 1.41 -0.63 0.00 0.00 0.00 175.10 175.73 1x4f s ILE 28 N 1.93 3.90 -0.25 2.22 -1.09 0.52 -0.48 121.20 127.96 1x4f s ILE 28 Ca 0.01 0.92 -0.26 0.00 -2.23 0.00 0.00 60.65 59.08 1x4f s ILE 28 Cb -0.16 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1x4f s ILE 28 CO -0.07 -0.77 0.92 -2.28 -1.23 0.00 0.00 174.94 171.51 1x4f s HIS 29 N 5.43 3.31 -0.28 3.97 2.46 0.14 -1.58 115.29 128.74 1x4f s HIS 29 Ca 0.61 1.24 0.00 0.00 0.47 0.00 0.00 55.06 57.39 1x4f s HIS 29 Cb -0.13 -3.18 0.05 0.00 -0.13 0.00 0.00 32.58 29.19 1x4f s HIS 29 CO 0.33 -0.46 -0.05 -0.51 -2.47 0.00 0.00 174.74 171.58 1x4f s LEU 30 N 3.03 3.71 0.18 8.88 1.43 0.11 -0.58 118.68 135.44 1x4f s LEU 30 Ca 0.39 -1.32 0.10 0.00 -1.03 0.00 0.00 54.13 52.27 1x4f s LEU 30 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1x4f s LEU 30 CO 0.08 -0.23 -0.15 -0.44 0.23 0.00 0.00 176.35 175.84 1x4f s SER 31 N 1.19 3.98 -0.44 2.29 0.01 -0.18 -1.99 113.70 118.56 1x4f s SER 31 Ca -0.07 -0.66 -0.02 0.00 1.31 0.00 0.00 55.95 56.51 1x4f s SER 31 Cb -0.20 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1x4f s SER 31 CO -0.03 0.12 0.38 -3.20 0.41 0.00 0.00 173.24 170.92 1x4f n ASN 32 N 0.20 -3.22 -4.80 2.44 5.15 -1.24 -0.57 115.26 113.22 1x4f n ASN 32 Ca -0.12 -0.18 -0.35 0.00 -0.60 0.00 0.00 54.58 53.33 1x4f n ASN 32 Cb 0.55 -2.00 -0.05 0.00 -0.53 0.00 0.00 39.78 37.74 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 -3.15 4.03 0.00 1.20 1.43 -1.08 -4.29 118.68 116.82 1x4f s LEU 33 Ca 0.16 1.84 -0.06 0.00 -1.03 0.00 0.00 54.13 55.04 1x4f s LEU 33 Cb -0.07 -4.39 0.09 0.00 0.03 0.00 0.00 46.19 41.86 1x4f s LEU 33 CO 0.24 -0.44 0.33 -0.81 0.23 0.00 0.00 176.35 175.90 1x4f n PRO 34 N -0.40 -1.66 -2.79 1.29 -0.04 -1.26 -4.91 135.00 125.23 1x4f n PRO 34 Ca 0.06 -0.53 -0.10 0.00 -0.04 0.00 0.00 63.50 62.90 1x4f n PRO 34 Cb 0.52 -0.49 0.07 0.00 -0.04 0.00 0.00 33.50 33.56 1x4f n PRO 34 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x4f n HIS 35 N -3.22 -1.93 -0.87 0.54 -0.00 -1.26 -4.96 115.22 103.52 1x4f n HIS 35 Ca 0.05 -2.40 -0.15 0.00 0.46 0.00 0.00 57.72 55.68 1x4f n HIS 35 Cb 0.18 1.12 0.20 0.00 -0.12 0.00 0.00 29.99 31.37 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1x4f n SER 36 N 0.06 4.00 -2.96 0.26 7.64 -1.26 -4.88 113.62 116.47 1x4f n SER 36 Ca 0.07 -3.26 -0.18 0.00 1.01 0.00 0.00 58.87 56.50 1x4f n SER 36 Cb 0.74 -0.77 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.59 -0.23 3.98 0.23 0.00 -1.26 -5.02 105.19 102.29 1x4f n GLY 37 Ca 0.46 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.26 1.51 0.32 1.61 -0.85 -1.26 -5.11 117.35 110.31 1x4f s TYR 38 Ca 0.39 -0.17 0.07 0.00 -0.52 0.00 0.00 57.07 56.85 1x4f s TYR 38 Cb -0.17 -3.25 -0.03 0.00 0.38 0.00 0.00 41.96 38.89 1x4f s TYR 38 CO 0.58 -1.96 0.27 -1.12 -1.52 0.00 0.00 175.55 171.80 1x4f s SER 39 N -4.79 5.28 0.17 -0.18 0.01 -1.26 -5.03 113.70 107.90 1x4f s SER 39 Ca 0.68 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 57.32 1x4f s SER 39 Cb -0.05 -1.03 0.11 0.00 0.21 0.00 0.00 66.02 65.27 1x4f s SER 39 CO 0.46 -0.30 1.71 -2.24 0.41 0.00 0.00 173.24 173.29 1x4f h ASP 40 N 1.31 -0.10 -0.98 2.44 3.04 -2.00 -1.41 116.42 118.72 1x4f h ASP 40 Ca -0.45 0.08 0.30 0.00 -3.24 0.00 0.00 57.03 53.72 1x4f h ASP 40 Cb 1.25 0.14 -0.15 0.00 -1.04 0.00 0.00 39.33 39.53 1x4f h ASP 40 CO 0.59 -0.02 0.50 0.28 -2.04 0.00 0.00 179.24 178.55 1x4f h SER 41 N 0.14 0.42 -0.53 4.15 0.02 -1.97 0.91 113.55 116.69 1x4f h SER 41 Ca 0.20 0.19 0.05 0.00 -0.84 0.00 0.00 61.79 61.38 1x4f h SER 41 Cb 0.27 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1x4f h SER 41 CO -0.30 -0.12 0.35 0.00 -1.14 0.00 0.00 176.83 175.62 1x4f h ALA 42 N 1.82 1.81 0.00 3.77 0.00 -1.65 0.17 119.26 125.19 1x4f h ALA 42 Ca 0.69 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.50 1x4f h ALA 42 Cb 1.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1x4f h ALA 42 CO -0.60 0.11 -0.35 0.28 0.00 0.00 0.00 179.25 178.69 1x4f h VAL 43 N 0.54 0.63 0.00 0.00 2.07 0.82 -3.12 116.25 117.18 1x4f h VAL 43 Ca 0.22 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1x4f h VAL 43 Cb 0.20 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1x4f h VAL 43 CO -0.06 0.34 -0.62 0.18 0.02 0.00 0.00 177.57 177.43 1x4f n LEU 44 N -3.23 0.59 0.32 2.57 4.77 -0.22 -3.94 117.00 117.85 1x4f n LEU 44 Ca 0.02 -0.06 0.20 0.00 -0.03 0.00 0.00 56.01 56.14 1x4f n LEU 44 Cb 0.63 -0.20 1.03 0.00 -2.33 0.00 0.00 43.42 42.56 1x4f n LEU 44 CO 0.38 0.13 1.12 0.11 -1.33 0.00 0.00 177.39 177.79 1x4f h LYS 45 N 0.00 0.00 -0.01 3.23 1.57 -0.67 0.26 116.57 120.95 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x4f h LYS 45 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1x4f h LYS 45 CO 0.00 0.01 -0.12 1.47 -0.57 0.00 0.00 179.45 180.24 1x4f n LEU 46 N -3.17 0.97 0.00 2.94 -0.00 -1.25 -3.79 117.00 112.69 1x4f n LEU 46 Ca -0.02 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.74 1x4f n LEU 46 Cb 0.14 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1x4f n LEU 46 CO 0.23 0.17 -0.01 0.00 -0.00 0.00 0.00 177.39 177.78 1x4f n ALA 47 N -0.48 1.50 0.32 1.47 0.00 0.10 -4.74 120.51 118.68 1x4f n ALA 47 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 1x4f n ALA 47 Cb 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.96 0.00 0.00 4.39 -0.69 -0.99 114.58 116.32 1x4f h GLU 48 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1x4f h GLU 48 Cb 0.00 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1x4f h GLU 48 CO 0.00 -0.64 0.00 -0.35 -1.16 0.00 0.00 179.01 176.86 1x4f n PRO 49 N -5.27 0.49 -0.10 2.33 -0.04 -1.26 -2.52 135.00 128.63 1x4f n PRO 49 Ca -0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 1x4f n PRO 49 Cb 0.44 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.91 0.20 0.00 0.54 4.02 -0.65 -5.08 117.16 115.28 1x4f n TYR 50 Ca 0.10 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1x4f n TYR 50 Cb 0.04 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.33 1x4f n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4f n GLY 51 N 2.04 0.58 3.65 2.72 0.00 -0.47 -4.45 105.19 109.26 1x4f n GLY 51 Ca -0.39 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 4.05 -0.82 1.61 -0.14 -1.26 -4.42 119.74 116.76 1x4f s LYS 52 Ca 0.00 2.00 -0.25 0.00 -1.36 0.00 0.00 55.97 56.35 1x4f s LYS 52 Cb 0.00 -3.99 -0.03 0.00 -1.68 0.00 0.00 37.83 32.13 1x4f s LYS 52 CO 0.00 -0.99 1.86 0.42 -0.76 0.00 0.00 175.35 175.88 1x4f s ILE 53 N 4.43 3.46 0.20 2.17 1.01 -1.26 -0.83 121.20 130.38 1x4f s ILE 53 Ca 0.72 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.17 1x4f s ILE 53 Cb -0.30 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 1x4f s ILE 53 CO 0.28 -1.04 1.48 0.11 0.00 0.00 0.00 174.94 175.77 1x4f h LYS 54 N 12.23 0.35 -2.41 2.79 6.56 -1.75 -3.47 116.57 130.88 1x4f h LYS 54 Ca -0.01 -0.27 -0.06 0.00 -1.06 0.00 0.00 60.65 59.24 1x4f h LYS 54 Cb 1.05 0.05 -0.18 0.00 -0.57 0.00 0.00 32.23 32.59 1x4f h LYS 54 CO 1.23 0.90 0.10 1.21 -2.06 0.00 0.00 179.45 180.84 1x4f s ASN 55 N -6.94 -0.54 0.13 0.86 2.47 -1.17 -5.02 114.94 104.72 1x4f s ASN 55 Ca -0.05 0.44 -0.09 0.00 0.42 0.00 0.00 52.86 53.58 1x4f s ASN 55 Cb 0.11 0.51 -0.00 0.00 -1.45 0.00 0.00 41.25 40.41 1x4f s ASN 55 CO 0.83 -0.65 0.25 -0.72 -3.72 0.00 0.00 177.10 173.08 1x4f s TYR 56 N -1.77 0.26 -0.12 0.43 1.13 -1.26 0.19 117.35 116.21 1x4f s TYR 56 Ca -0.09 -0.65 -0.04 0.00 -1.41 0.00 0.00 57.07 54.89 1x4f s TYR 56 Cb -0.01 -0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.87 1x4f s TYR 56 CO 0.04 -0.64 0.21 0.42 -2.51 0.00 0.00 175.55 173.07 1x4f s ILE 57 N -3.91 -0.33 -0.57 -3.49 -1.09 0.12 -4.94 121.20 106.99 1x4f s ILE 57 Ca 0.11 0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.71 1x4f s ILE 57 Cb 0.04 -0.41 0.15 0.00 -1.58 0.00 0.00 42.46 40.66 1x4f s ILE 57 CO -0.05 0.09 0.43 -0.22 -1.23 0.00 0.00 174.94 173.95 1x4f s LEU 58 N 2.34 5.70 -0.34 2.97 1.98 -1.26 -0.12 118.68 129.95 1x4f s LEU 58 Ca 0.03 -2.35 -0.17 0.00 -2.89 0.00 0.00 54.13 48.75 1x4f s LEU 58 Cb -0.13 -1.98 -0.01 0.00 0.66 0.00 0.00 46.19 44.74 1x4f s LEU 58 CO -0.08 -0.56 0.46 -0.04 -1.89 0.00 0.00 176.35 174.25 1x4f s MET 59 N 0.70 3.63 0.17 1.98 -1.94 0.13 -4.92 119.30 119.05 1x4f s MET 59 Ca 0.11 -0.21 0.23 0.00 -1.71 0.00 0.00 55.69 54.12 1x4f s MET 59 Cb -0.21 -3.80 0.17 0.00 2.01 0.00 0.00 34.83 33.00 1x4f s MET 59 CO -0.03 -0.59 1.19 -0.09 -0.01 0.00 0.00 175.02 175.49 1x4f h ARG 60 N 8.43 0.00 0.28 2.03 2.43 -1.95 0.12 114.38 125.72 1x4f h ARG 60 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1x4f h ARG 60 Cb 1.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1x4f h ARG 60 CO 0.74 0.00 -0.51 1.98 -1.51 0.00 0.00 179.97 180.67 1x4f h MET 61 N 0.00 -0.82 -0.83 0.20 4.05 -1.91 -3.11 114.93 112.51 1x4f h MET 61 Ca 0.00 0.06 -0.59 0.00 -0.28 0.00 0.00 59.70 58.89 1x4f h MET 61 Cb 0.87 0.19 -0.39 0.00 -0.80 0.00 0.00 31.60 31.46 1x4f h MET 61 CO 0.00 -0.55 -0.37 1.63 0.23 0.00 0.00 176.91 177.85 1x4f n LYS 62 N -5.44 3.37 -4.45 0.39 4.76 -1.26 -4.93 118.16 110.60 1x4f n LYS 62 Ca -0.10 -3.95 -0.40 0.00 -2.87 0.00 0.00 58.31 50.99 1x4f n LYS 62 Cb 0.43 -2.28 -0.08 0.00 -1.84 0.00 0.00 35.03 31.25 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x4f n SER 63 N -0.76 -1.38 -4.66 4.39 7.64 -1.18 -4.79 113.62 112.89 1x4f n SER 63 Ca 0.49 -1.23 -0.23 0.00 1.01 0.00 0.00 58.87 58.91 1x4f n SER 63 Cb 0.88 -1.56 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 1x4f n SER 63 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1x4f s GLN 64 N -7.14 2.25 -0.19 1.43 -0.21 0.03 -2.64 119.66 113.18 1x4f s GLN 64 Ca 0.70 -1.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.26 1x4f s GLN 64 Cb -0.41 -2.10 0.12 0.00 1.00 0.00 0.00 33.01 31.62 1x4f s GLN 64 CO 1.00 0.25 0.98 0.00 -2.12 0.00 0.00 175.29 175.41 1x4f s ALA 65 N -2.40 -1.93 0.22 6.09 0.00 -0.84 0.18 121.76 123.08 1x4f s ALA 65 Ca 0.34 1.67 0.09 0.00 0.00 0.00 0.00 51.96 54.06 1x4f s ALA 65 Cb -0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 1x4f s ALA 65 CO 0.20 -0.29 -0.17 -0.06 0.00 0.00 0.00 175.76 175.44 1x4f s PHE 66 N -0.65 1.94 -0.22 0.00 0.40 0.83 -0.71 117.98 119.57 1x4f s PHE 66 Ca -0.01 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1x4f s PHE 66 Cb -0.02 -0.89 0.11 0.00 0.51 0.00 0.00 43.02 42.73 1x4f s PHE 66 CO -0.00 0.48 0.27 0.42 0.70 0.00 0.00 175.22 177.08 1x4f s ILE 67 N -2.65 -0.41 -0.59 0.64 1.01 -0.61 0.14 121.20 118.73 1x4f s ILE 67 Ca 0.24 -0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.53 1x4f s ILE 67 Cb -0.03 -0.72 0.04 0.00 0.01 0.00 0.00 42.46 41.76 1x4f s ILE 67 CO 0.10 -0.18 1.06 -0.70 0.00 0.00 0.00 174.94 175.21 1x4f s GLU 68 N 2.39 3.37 0.84 2.79 2.12 0.13 -0.36 118.70 129.98 1x4f s GLU 68 Ca 0.09 -0.12 -0.11 0.00 0.36 0.00 0.00 54.97 55.19 1x4f s GLU 68 Cb -0.16 -4.06 0.10 0.00 0.26 0.00 0.00 34.13 30.27 1x4f s GLU 68 CO -0.13 -1.64 1.11 -1.64 -0.54 0.00 0.00 175.26 172.41 1x4f s MET 69 N 4.47 1.69 0.14 4.30 -1.94 -1.24 -2.42 119.30 124.30 1x4f s MET 69 Ca 0.35 1.23 -0.13 0.00 -1.71 0.00 0.00 55.69 55.42 1x4f s MET 69 Cb -0.11 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.91 1x4f s MET 69 CO 0.20 -2.06 1.58 1.49 -0.01 0.00 0.00 175.02 176.22 1x4f h GLU 70 N -1.44 0.82 -5.12 2.03 4.81 -1.27 -3.43 114.58 110.98 1x4f h GLU 70 Ca -0.45 -0.27 -0.36 0.00 -0.13 0.00 0.00 59.36 58.15 1x4f h GLU 70 Cb 1.25 -0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 1x4f h GLU 70 CO 0.49 0.89 -0.69 0.95 -0.73 0.00 0.00 179.01 179.91 1x4f s THR 71 N -4.97 1.17 0.16 0.32 -4.23 -1.26 -5.01 115.64 101.82 1x4f s THR 71 Ca -0.12 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.20 1x4f s THR 71 Cb 0.11 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.92 1x4f s THR 71 CO 0.82 -0.57 1.63 -0.09 -0.54 0.00 0.00 174.62 175.87 1x4f h ARG 72 N 2.64 0.90 -1.00 3.99 2.43 -1.97 -2.87 114.38 118.50 1x4f h ARG 72 Ca -0.37 -0.26 0.27 0.00 -0.81 0.00 0.00 59.98 58.81 1x4f h ARG 72 Cb 1.21 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.53 1x4f h ARG 72 CO 0.64 0.89 0.57 0.93 -1.51 0.00 0.00 179.97 181.50 1x4f h GLU 73 N 0.78 0.47 0.00 0.20 5.08 -1.97 -0.11 114.58 119.03 1x4f h GLU 73 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1x4f h GLU 73 Cb 0.45 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1x4f h GLU 73 CO 0.02 0.31 0.00 -0.25 -1.00 0.00 0.00 179.01 178.09 1x4f n ASP 74 N -4.95 0.00 -0.28 1.42 8.00 -1.09 -1.77 116.55 117.87 1x4f n ASP 74 Ca 0.28 0.65 0.18 0.00 0.71 0.00 0.00 54.79 56.61 1x4f n ASP 74 Cb 0.82 -0.42 0.34 0.00 -0.02 0.00 0.00 41.12 41.85 1x4f n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4f n ALA 75 N -1.75 0.60 -0.17 2.24 0.00 -1.09 0.22 120.51 120.55 1x4f n ALA 75 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 53.44 54.22 1x4f n ALA 75 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1x4f n ALA 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x4f h MET 76 N 0.00 0.92 -0.35 0.00 2.86 -1.10 -2.62 114.93 114.64 1x4f h MET 76 Ca 0.59 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1x4f h MET 76 Cb 1.37 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 1x4f h MET 76 CO -0.73 0.97 0.19 0.00 1.06 0.00 0.00 176.91 178.39 1x4f h ALA 77 N 0.92 1.68 0.45 6.32 0.00 0.35 -1.62 119.26 127.35 1x4f h ALA 77 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1x4f h ALA 77 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x4f h ALA 77 CO 0.03 0.27 -0.21 1.98 0.00 0.00 0.00 179.25 181.32 1x4f h MET 78 N 0.48 -0.58 -0.93 0.00 4.05 -0.92 -1.04 114.93 115.99 1x4f h MET 78 Ca 0.13 0.04 0.24 0.00 -0.28 0.00 0.00 59.70 59.83 1x4f h MET 78 Cb 0.02 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 30.89 1x4f h MET 78 CO -0.02 -0.39 0.64 -0.39 0.23 0.00 0.00 176.91 176.98 1x4f h VAL 79 N -0.96 0.59 -0.08 -5.77 -1.51 -1.42 -0.15 116.25 106.96 1x4f h VAL 79 Ca -0.06 -0.08 -0.09 0.00 -1.23 0.00 0.00 66.70 65.25 1x4f h VAL 79 Cb 0.46 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1x4f h VAL 79 CO 0.10 0.04 -0.29 -0.78 -1.23 0.00 0.00 177.57 175.41 1x4f h ASP 80 N 0.22 0.40 -0.46 4.19 3.58 -1.29 -3.08 116.42 119.99 1x4f h ASP 80 Ca 0.47 -0.62 0.13 0.00 0.42 0.00 0.00 57.03 57.44 1x4f h ASP 80 Cb 1.48 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.40 1x4f h ASP 80 CO -0.12 0.95 0.41 -0.74 -2.88 0.00 0.00 179.24 176.87 1x4f h HIS 81 N -0.13 0.00 0.00 0.28 2.76 0.36 0.38 115.15 118.80 1x4f h HIS 81 Ca -0.01 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.01 1x4f h HIS 81 Cb 0.92 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1x4f h HIS 81 CO 0.12 0.00 -0.69 0.00 -1.30 0.00 0.00 177.93 176.06 1x4f h LEU 83 N 0.00 -0.02 -0.07 0.00 3.38 -0.16 -3.33 115.31 115.10 1x4f h LEU 83 Ca -0.01 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 1x4f h LEU 83 Cb 1.52 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1x4f h LEU 83 CO 0.09 0.50 -0.16 0.11 0.09 0.00 0.00 178.44 179.08 1x4f h LYS 84 N -0.56 0.23 -6.23 1.13 6.56 -1.56 -3.46 116.57 112.69 1x4f h LYS 84 Ca -0.00 -0.15 -0.58 0.00 -1.06 0.00 0.00 60.65 58.86 1x4f h LYS 84 Cb 0.53 0.02 -0.19 0.00 -0.57 0.00 0.00 32.23 32.02 1x4f h LYS 84 CO 0.00 0.75 -0.81 0.15 -2.06 0.00 0.00 179.45 177.48 1x4f s LYS 85 N -3.92 1.31 -0.28 3.15 1.02 -0.75 -5.10 119.74 115.17 1x4f s LYS 85 Ca -0.15 -1.37 -0.29 0.00 0.02 0.00 0.00 55.97 54.18 1x4f s LYS 85 Cb 0.03 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.83 1x4f s LYS 85 CO 0.73 0.33 1.27 0.00 -0.92 0.00 0.00 175.35 176.76 1x4f s ALA 86 N -1.67 3.42 -0.46 5.17 0.00 -1.26 -3.58 121.76 123.39 1x4f s ALA 86 Ca 0.15 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 1x4f s ALA 86 Cb -0.08 -3.74 0.02 0.00 0.00 0.00 0.00 23.12 19.33 1x4f s ALA 86 CO 0.07 -1.66 1.21 -1.17 0.00 0.00 0.00 175.76 174.21 1x4f s LEU 87 N 4.17 3.62 -0.28 0.00 0.20 -1.26 -5.00 118.68 120.14 1x4f s LEU 87 Ca 0.55 0.56 -0.07 0.00 0.69 0.00 0.00 54.13 55.86 1x4f s LEU 87 Cb -0.17 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.04 1x4f s LEU 87 CO 0.21 -1.30 0.08 0.26 -0.29 0.00 0.00 176.35 175.31 1x4f s TRP 88 N 4.70 3.12 -0.13 5.38 0.52 -1.26 -3.32 118.94 127.95 1x4f s TRP 88 Ca 0.51 -0.78 -0.09 0.00 0.02 0.00 0.00 56.10 55.76 1x4f s TRP 88 Cb -0.09 -2.25 -0.06 0.00 -1.15 0.00 0.00 33.47 29.92 1x4f s TRP 88 CO 0.32 -0.50 0.02 0.35 0.02 0.00 0.00 176.95 177.15 1x4f h PHE 89 N 8.24 0.00 -1.38 -1.98 3.57 -1.89 -3.45 116.94 120.05 1x4f h PHE 89 Ca -0.34 0.00 -0.42 0.00 3.53 0.00 0.00 57.97 60.74 1x4f h PHE 89 Cb 1.14 0.00 -0.32 0.00 2.79 0.00 0.00 35.95 39.56 1x4f h PHE 89 CO 0.63 0.27 -0.95 1.04 -2.23 0.00 0.00 178.31 177.06 1x4f n GLN 90 N -4.65 0.91 -0.99 1.11 1.13 -1.26 -4.91 117.38 108.73 1x4f n GLN 90 Ca -0.08 -2.88 0.00 0.00 -1.94 0.00 0.00 57.00 52.10 1x4f n GLN 90 Cb 0.24 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 0.63 0.61 3.07 1.08 0.00 -1.26 -4.94 105.19 104.39 1x4f n GLY 91 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.01 1.15 -0.53 1.61 0.52 -1.26 -5.04 118.95 115.38 1x4f s ARG 92 Ca 0.00 -0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 54.70 1x4f s ARG 92 Cb 0.00 -1.07 -0.20 0.00 0.52 0.00 0.00 34.95 34.20 1x4f s ARG 92 CO 0.00 0.23 3.39 0.00 0.02 0.00 0.00 175.30 178.94 1x4f n VAL 94 N 2.79 0.56 -2.79 0.00 3.14 -1.21 -4.86 118.33 115.97 1x4f n VAL 94 Ca 0.55 -0.14 -0.42 0.00 -2.96 0.00 0.00 64.34 61.36 1x4f n VAL 94 Cb 0.69 -0.09 -0.03 0.00 -1.06 0.00 0.00 33.84 33.35 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 -0.26 4.05 -0.39 1.45 2.47 0.27 -4.71 119.74 122.62 1x4f s LYS 95 Ca 0.83 0.89 -0.04 0.00 -1.56 0.00 0.00 55.97 56.08 1x4f s LYS 95 Cb -1.14 -3.72 0.09 0.00 -1.46 0.00 0.00 37.83 31.60 1x4f s LYS 95 CO 0.56 -0.75 0.18 0.54 0.16 0.00 0.00 175.35 176.04 1x4f s VAL 96 N 3.25 3.45 -0.01 4.02 0.11 -1.25 -1.01 120.40 128.96 1x4f s VAL 96 Ca 0.39 -1.80 0.04 0.00 -2.93 0.00 0.00 61.98 57.67 1x4f s VAL 96 Cb -0.14 -3.24 -0.01 0.00 -1.53 0.00 0.00 36.38 31.46 1x4f s VAL 96 CO 0.13 -0.56 -0.12 1.51 -3.33 0.00 0.00 175.10 172.73 1x4f s ASP 97 N 1.81 1.38 -0.04 3.54 1.47 0.26 -4.33 116.67 120.76 1x4f s ASP 97 Ca 0.05 -0.23 -0.30 0.00 1.18 0.00 0.00 52.55 53.25 1x4f s ASP 97 Cb -0.22 -0.15 -0.06 0.00 -0.34 0.00 0.00 42.92 42.15 1x4f s ASP 97 CO -0.02 0.13 1.70 -0.22 0.68 0.00 0.00 175.17 177.44 1x4f s LEU 98 N -0.35 4.34 0.20 2.11 2.96 -1.26 0.25 118.68 126.93 1x4f s LEU 98 Ca 0.04 2.31 -0.32 0.00 -0.22 0.00 0.00 54.13 55.95 1x4f s LEU 98 Cb -0.05 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.99 1x4f s LEU 98 CO -0.00 -0.94 1.68 -0.55 -1.32 0.00 0.00 176.35 175.21 1x4f s SER 99 N 3.48 6.43 -0.55 3.68 0.15 0.37 -4.85 113.70 122.41 1x4f s SER 99 Ca 0.76 2.82 0.01 0.00 0.70 0.00 0.00 55.95 60.23 1x4f s SER 99 Cb -0.35 -2.60 0.45 0.00 -1.71 0.00 0.00 66.02 61.81 1x4f s SER 99 CO 0.32 -0.94 1.77 1.21 1.20 0.00 0.00 173.24 176.80 1x4f n GLU 100 N 3.88 2.98 0.09 5.44 4.07 -1.26 -4.63 120.64 131.22 1x4f n GLU 100 Ca 0.15 -3.57 0.00 0.00 -0.06 0.00 0.00 57.16 53.68 1x4f n GLU 100 Cb 0.36 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.45 1x4f n GLU 100 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1x4f n LYS 101 N -0.85 0.00 -2.75 5.31 0.00 -1.26 -4.95 118.16 113.66 1x4f n LYS 101 Ca 0.57 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 58.47 1x4f n LYS 101 Cb 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.74 1x4f n LYS 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1x4f s TYR 102 N -1.50 3.73 -1.01 5.64 2.02 -1.26 -4.94 117.35 120.03 1x4f s TYR 102 Ca 0.00 1.71 0.13 0.00 -0.37 0.00 0.00 57.07 58.54 1x4f s TYR 102 Cb 0.00 -3.06 0.39 0.00 -0.40 0.00 0.00 41.96 38.89 1x4f s TYR 102 CO 0.00 0.11 1.33 0.36 -1.57 0.00 0.00 175.55 175.77 1x4f n LYS 103 N 3.35 2.90 -3.83 -0.62 2.85 -1.26 -4.53 118.16 117.02 1x4f n LYS 103 Ca 0.04 -2.25 -0.07 0.00 -1.05 0.00 0.00 58.31 54.98 1x4f n LYS 103 Cb 0.50 -1.39 0.01 0.00 -0.65 0.00 0.00 35.03 33.50 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1x4f s LYS 104 N -1.21 1.86 -0.02 -1.58 0.00 -1.26 -4.28 119.74 113.25 1x4f s LYS 104 Ca 0.30 -1.15 0.01 0.00 0.00 0.00 0.00 55.97 55.12 1x4f s LYS 104 Cb 0.17 0.55 0.02 0.00 0.00 0.00 0.00 37.83 38.57 1x4f s LYS 104 CO 0.18 -0.87 -0.00 -0.51 0.00 0.00 0.00 175.35 174.15 1x4f s LEU 105 N -3.09 1.35 0.00 2.77 1.43 -1.26 -4.93 118.68 114.94 1x4f s LEU 105 Ca 0.15 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1x4f s LEU 105 Cb -0.04 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.98 1x4f s LEU 105 CO 0.08 -0.07 0.00 0.55 0.23 0.00 0.00 176.35 177.14 1x4f n VAL 106 N 3.89 0.00 -2.78 -1.59 3.14 -1.26 -4.96 118.33 114.78 1x4f n VAL 106 Ca -0.24 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.13 1x4f n VAL 106 Cb 0.52 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.29 1x4f n VAL 106 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1x4f n SER 107 N 0.00 -6.02 -0.09 6.55 7.64 -1.26 -5.05 113.62 115.39 1x4f n SER 107 Ca 0.00 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1x4f n SER 107 Cb 0.00 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 58.59 1x4f n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 108 N 1.13 1.67 0.00 0.23 0.00 -1.26 -4.99 105.19 101.97 1x4f n GLY 108 Ca -0.10 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.29 1x4f n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4f n PRO 109 N 0.00 0.48 -2.73 1.61 -0.04 -1.26 -4.90 135.00 128.16 1x4f n PRO 109 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1x4f n PRO 109 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1x4f n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4f n SER 110 N -0.90 -7.91 -4.50 3.54 2.88 -1.26 -4.90 113.62 100.57 1x4f n SER 110 Ca 0.09 1.18 -0.42 0.00 -1.33 0.00 0.00 58.87 58.39 1x4f n SER 110 Cb 0.04 -5.28 -0.04 0.00 -0.75 0.00 0.00 64.21 58.18 1x4f n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4f s SER 111 N -1.86 6.25 0.00 -3.46 0.15 -1.26 -5.25 113.70 108.27 1x4f s SER 111 Ca 0.06 -0.59 0.08 0.00 0.70 0.00 0.00 55.95 56.21 1x4f s SER 111 Cb -0.02 -2.46 0.07 0.00 -1.71 0.00 0.00 66.02 61.90 1x4f s SER 111 CO 0.77 -1.45 0.76 0.61 1.20 0.00 0.00 173.24 175.13