#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 -0.19 0.34 1.61 1.04 -1.26 -5.18 113.70 110.06 1x4f s SER 2 Ca 0.00 -0.45 0.09 0.00 0.48 0.00 0.00 55.95 56.06 1x4f s SER 2 Cb 0.00 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1x4f s SER 2 CO 0.00 -1.00 0.08 -0.44 0.98 0.00 0.00 173.24 172.85 1x4f s SER 3 N -2.94 4.41 0.48 7.02 0.01 -1.26 -5.15 113.70 116.27 1x4f s SER 3 Ca 0.12 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1x4f s SER 3 Cb -0.02 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1x4f s SER 3 CO 0.03 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1x4f n GLY 4 N -1.05 0.22 1.97 3.44 0.00 -1.26 -5.08 105.19 103.44 1x4f n GLY 4 Ca -0.04 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.53 -0.12 -4.44 1.61 7.64 -1.26 -5.10 113.62 109.41 1x4f n SER 5 Ca 0.00 0.40 -0.40 0.00 1.01 0.00 0.00 58.87 59.87 1x4f n SER 5 Cb 0.00 0.32 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 1x4f n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4f n SER 6 N -3.30 -1.12 -4.47 6.43 2.88 -1.26 -4.85 113.62 107.94 1x4f n SER 6 Ca 0.00 0.84 -0.44 0.00 -1.33 0.00 0.00 58.87 57.94 1x4f n SER 6 Cb 0.00 -1.11 -0.01 0.00 -0.75 0.00 0.00 64.21 62.34 1x4f n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4f s GLY 7 N -1.01 2.14 0.29 0.46 0.00 -1.26 -5.01 107.32 102.93 1x4f s GLY 7 Ca 0.64 -3.06 -0.05 0.00 0.00 0.00 0.00 44.72 42.25 1x4f s GLY 7 CO 0.58 2.09 0.19 1.17 0.00 0.00 0.00 173.10 177.13 1x4f n LYS 8 N 6.26 -2.22 -2.93 2.90 4.81 -1.26 -4.68 118.16 121.04 1x4f n LYS 8 Ca 0.32 -0.32 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1x4f n LYS 8 Cb 0.46 -0.37 0.01 0.00 0.02 0.00 0.00 35.03 35.15 1x4f n LYS 8 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1x4f n LYS 9 N -2.59 -2.36 -2.25 1.64 4.81 -1.26 -4.93 118.16 111.22 1x4f n LYS 9 Ca 0.03 2.06 -0.41 0.00 -0.87 0.00 0.00 58.31 59.12 1x4f n LYS 9 Cb 0.12 -5.23 -0.03 0.00 0.02 0.00 0.00 35.03 29.91 1x4f n LYS 9 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x4f s PRO 10 N -2.55 4.45 -0.42 1.64 0.04 -1.26 -4.95 135.00 131.94 1x4f s PRO 10 Ca 0.26 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 1x4f s PRO 10 Cb -0.06 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 1x4f s PRO 10 CO 0.78 -0.09 1.59 -2.00 0.04 0.00 0.00 177.00 177.32 1x4f s GLU 11 N -1.24 3.36 0.00 4.56 -6.30 -1.26 -4.77 118.70 113.05 1x4f s GLU 11 Ca 0.50 1.01 0.00 0.00 -2.50 0.00 0.00 54.97 53.98 1x4f s GLU 11 Cb -0.37 -4.14 0.00 0.00 0.00 0.00 0.00 34.13 29.63 1x4f s GLU 11 CO 0.46 -1.83 0.00 0.41 0.02 0.00 0.00 175.26 174.31 1x4f n GLY 12 N 5.29 0.24 3.37 -1.50 0.00 -1.26 -5.11 105.19 106.21 1x4f n GLY 12 Ca 0.19 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 1x4f n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 13 N -2.00 2.54 0.20 1.61 1.02 -1.26 -5.11 119.74 116.73 1x4f s LYS 13 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 1x4f s LYS 13 Cb 0.00 -2.28 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 1x4f s LYS 13 CO 0.00 0.50 1.30 -1.25 -0.92 0.00 0.00 175.35 174.98 1x4f s PRO 14 N -0.42 4.39 0.40 -1.68 0.04 -1.26 -5.04 135.00 131.43 1x4f s PRO 14 Ca 0.04 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1x4f s PRO 14 Cb -0.12 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 1x4f s PRO 14 CO 0.02 -0.24 0.03 -0.51 0.04 0.00 0.00 177.00 176.33 1x4f s ASP 15 N 0.32 3.42 -0.06 6.66 1.01 -1.26 -5.15 116.67 121.61 1x4f s ASP 15 Ca 0.56 -1.42 0.02 0.00 0.71 0.00 0.00 52.55 52.42 1x4f s ASP 15 Cb -0.36 -0.15 0.01 0.00 1.01 0.00 0.00 42.92 43.44 1x4f s ASP 15 CO 0.38 -0.57 -0.11 0.00 0.21 0.00 0.00 175.17 175.08 1x4f s GLN 16 N -3.78 1.60 -0.07 8.23 -2.07 -1.26 -5.01 119.66 117.29 1x4f s GLN 16 Ca 0.31 -0.38 0.04 0.00 -1.82 0.00 0.00 55.36 53.51 1x4f s GLN 16 Cb 0.08 -1.34 -0.07 0.00 -1.09 0.00 0.00 33.01 30.60 1x4f s GLN 16 CO 0.15 0.02 -0.02 0.36 -1.32 0.00 0.00 175.29 174.49 1x4f n LYS 17 N 3.81 1.84 -1.38 9.60 2.85 -1.26 -4.89 118.16 128.74 1x4f n LYS 17 Ca -0.23 0.02 -0.03 0.00 -1.05 0.00 0.00 58.31 57.01 1x4f n LYS 17 Cb 0.52 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.73 1x4f n LYS 17 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1x4f n PHE 18 N -2.44 -0.52 -3.66 5.58 3.72 -1.26 -5.12 117.46 113.75 1x4f n PHE 18 Ca -0.12 -0.64 -0.07 0.00 -0.05 0.00 0.00 57.45 56.57 1x4f n PHE 18 Cb 0.69 0.72 -0.08 0.00 -0.94 0.00 0.00 39.48 39.87 1x4f n PHE 18 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1x4f s ASP 19 N -0.69 -0.72 -0.05 4.37 1.01 -1.26 -5.16 116.67 114.16 1x4f s ASP 19 Ca 0.02 1.25 -0.03 0.00 0.71 0.00 0.00 52.55 54.50 1x4f s ASP 19 Cb 0.11 1.43 0.03 0.00 1.01 0.00 0.00 42.92 45.50 1x4f s ASP 19 CO -0.03 -0.22 0.13 0.00 0.21 0.00 0.00 175.17 175.25 1x4f s GLN 20 N 2.10 0.10 0.00 8.23 0.00 -1.26 -4.79 119.66 124.04 1x4f s GLN 20 Ca -0.07 0.28 0.00 0.00 -0.00 0.00 0.00 55.36 55.57 1x4f s GLN 20 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 33.01 32.82 1x4f s GLN 20 CO -0.16 -0.11 0.00 0.36 0.00 0.00 0.00 175.29 175.38 1x4f n LYS 21 N 3.78 0.00 -0.19 9.60 2.85 -1.26 -5.00 118.16 127.94 1x4f n LYS 21 Ca -0.22 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 56.99 1x4f n LYS 21 Cb 0.54 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.93 1x4f n LYS 21 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1x4f h GLN 22 N 0.00 -0.16 -0.97 -1.58 5.75 -2.05 -3.41 115.11 112.70 1x4f h GLN 22 Ca 0.00 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.64 1x4f h GLN 22 Cb 0.00 0.04 -0.21 0.00 1.07 0.00 0.00 27.48 28.37 1x4f h GLN 22 CO 0.00 -0.10 -0.13 -1.83 -2.65 0.00 0.00 178.83 174.12 1x4f s GLU 23 N -6.02 0.47 0.37 1.69 -1.05 -1.26 -5.03 118.70 107.87 1x4f s GLU 23 Ca -0.14 0.89 0.04 0.00 -0.15 0.00 0.00 54.97 55.61 1x4f s GLU 23 Cb 0.16 0.50 0.72 0.00 -0.44 0.00 0.00 34.13 35.07 1x4f s GLU 23 CO 0.69 -0.44 2.03 -0.07 0.95 0.00 0.00 175.26 178.42 1x4f h LEU 24 N 7.96 0.64 0.00 1.83 4.07 -1.92 -3.47 115.31 124.42 1x4f h LEU 24 Ca -0.20 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1x4f h LEU 24 Cb 1.15 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1x4f h LEU 24 CO 0.15 0.46 0.00 0.61 -1.08 0.00 0.00 178.44 178.58 1x4f n GLY 25 N -1.45 0.59 2.82 0.83 0.00 -1.26 -5.03 105.19 101.68 1x4f n GLY 25 Ca 0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1x4f n GLY 25 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4f s ARG 26 N -0.21 1.05 -0.20 1.61 3.03 -1.15 -4.92 118.95 118.16 1x4f s ARG 26 Ca 0.00 -0.77 -0.03 0.00 2.03 0.00 0.00 55.73 56.96 1x4f s ARG 26 Cb 0.00 -2.30 0.06 0.00 -1.03 0.00 0.00 34.95 31.68 1x4f s ARG 26 CO 0.00 -0.68 0.03 0.08 -1.13 0.00 0.00 175.30 173.60 1x4f s VAL 27 N 1.62 0.59 -0.59 4.99 1.01 -1.26 -3.85 120.40 122.91 1x4f s VAL 27 Ca -0.01 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1x4f s VAL 27 Cb -0.18 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1x4f s VAL 27 CO -0.10 -0.20 1.25 -0.63 0.00 0.00 0.00 175.10 175.42 1x4f s ILE 28 N 1.83 3.93 0.04 2.22 -1.09 0.75 -1.05 121.20 127.84 1x4f s ILE 28 Ca -0.01 0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 58.94 1x4f s ILE 28 Cb -0.17 -4.69 -0.05 0.00 -1.58 0.00 0.00 42.46 35.97 1x4f s ILE 28 CO -0.08 -1.37 0.83 -2.28 -1.23 0.00 0.00 174.94 170.82 1x4f s HIS 29 N 5.28 3.73 -0.13 3.97 5.65 0.69 -0.62 115.29 133.86 1x4f s HIS 29 Ca 0.44 1.56 0.01 0.00 0.25 0.00 0.00 55.06 57.32 1x4f s HIS 29 Cb -0.08 -2.91 0.02 0.00 -1.18 0.00 0.00 32.58 28.42 1x4f s HIS 29 CO 0.24 0.20 -0.16 -0.51 -0.65 0.00 0.00 174.74 173.86 1x4f s LEU 30 N 0.18 1.81 0.34 8.88 1.43 0.86 -0.94 118.68 131.24 1x4f s LEU 30 Ca 0.42 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1x4f s LEU 30 Cb -0.21 -1.22 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 1x4f s LEU 30 CO 0.25 0.00 -0.04 -0.44 0.23 0.00 0.00 176.35 176.35 1x4f s SER 31 N 1.15 3.99 -1.41 2.29 0.01 -0.29 -2.11 113.70 117.34 1x4f s SER 31 Ca -0.02 -1.06 -0.08 0.00 1.31 0.00 0.00 55.95 56.10 1x4f s SER 31 Cb -0.14 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 65.67 1x4f s SER 31 CO -0.06 -0.20 0.94 -3.20 0.41 0.00 0.00 173.24 171.12 1x4f n ASN 32 N -0.87 -3.75 -4.81 2.44 5.15 -1.24 -0.99 115.26 111.18 1x4f n ASN 32 Ca -0.05 -0.74 -0.32 0.00 -0.60 0.00 0.00 54.58 52.87 1x4f n ASN 32 Cb 0.63 -4.24 0.01 0.00 -0.53 0.00 0.00 39.78 35.65 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 -7.03 3.46 0.00 1.20 1.43 -1.22 -4.08 118.68 112.45 1x4f s LEU 33 Ca 0.40 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1x4f s LEU 33 Cb -0.19 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1x4f s LEU 33 CO 0.80 -1.10 0.00 -0.81 0.23 0.00 0.00 176.35 175.47 1x4f n PRO 34 N -2.12 0.08 -2.66 1.29 -0.04 -1.26 -4.94 135.00 125.35 1x4f n PRO 34 Ca 0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 1x4f n PRO 34 Cb 0.53 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 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 -1.42 -0.53 -1.12 0.54 1.44 -1.26 -5.00 115.22 107.87 1x4f n HIS 35 Ca 0.00 -0.80 -0.03 0.00 -2.01 0.00 0.00 57.72 54.88 1x4f n HIS 35 Cb 0.00 1.20 0.27 0.00 0.12 0.00 0.00 29.99 31.58 1x4f n HIS 35 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1x4f n SER 36 N 0.21 4.16 -1.25 4.39 2.88 -1.26 -4.91 113.62 117.85 1x4f n SER 36 Ca -0.11 -3.30 -0.05 0.00 -1.33 0.00 0.00 58.87 54.08 1x4f n SER 36 Cb 0.73 -0.69 0.02 0.00 -0.75 0.00 0.00 64.21 63.52 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4f n GLY 37 N -0.46 0.57 3.55 0.46 0.00 -1.26 -5.06 105.19 102.98 1x4f n GLY 37 Ca 0.36 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1x4f n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1x4f n TYR 38 N -2.85 -3.24 -4.25 1.61 0.18 -1.26 -5.11 117.16 102.25 1x4f n TYR 38 Ca -0.01 -1.48 -0.30 0.00 1.88 0.00 0.00 57.90 57.99 1x4f n TYR 38 Cb 0.52 -0.74 -0.10 0.00 -0.38 0.00 0.00 39.34 38.65 1x4f n TYR 38 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1x4f s SER 39 N -4.91 4.57 0.18 9.48 0.01 -1.26 -5.02 113.70 116.75 1x4f s SER 39 Ca 0.63 -0.30 -0.16 0.00 1.31 0.00 0.00 55.95 57.43 1x4f s SER 39 Cb -0.03 -0.96 0.15 0.00 0.21 0.00 0.00 66.02 65.40 1x4f s SER 39 CO 0.42 0.20 1.25 -0.90 0.41 0.00 0.00 173.24 174.62 1x4f n ASP 40 N 0.82 -0.57 -0.34 2.44 5.75 -1.26 0.90 116.55 124.28 1x4f n ASP 40 Ca -0.13 1.41 0.11 0.00 -0.01 0.00 0.00 54.79 56.17 1x4f n ASP 40 Cb 0.52 -0.30 0.22 0.00 -1.03 0.00 0.00 41.12 40.53 1x4f n ASP 40 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1x4f n SER 41 N -5.16 -0.21 -0.31 -1.12 3.41 -1.26 0.13 113.62 109.10 1x4f n SER 41 Ca 0.07 1.64 0.14 0.00 -0.26 0.00 0.00 58.87 60.47 1x4f n SER 41 Cb 0.31 -0.56 0.32 0.00 -0.26 0.00 0.00 64.21 64.02 1x4f n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4f h ALA 42 N 1.92 1.47 0.00 7.33 0.00 0.11 0.96 119.26 131.05 1x4f h ALA 42 Ca 0.53 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.55 1x4f h ALA 42 Cb 0.99 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1x4f h ALA 42 CO -0.94 -0.38 -0.32 0.28 0.00 0.00 0.00 179.25 177.89 1x4f h VAL 43 N 0.37 0.69 0.00 0.00 2.07 0.99 -2.92 116.25 117.44 1x4f h VAL 43 Ca 0.58 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1x4f h VAL 43 Cb 1.13 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1x4f h VAL 43 CO -0.55 0.32 -0.57 0.18 0.02 0.00 0.00 177.57 176.97 1x4f n LEU 44 N -3.36 0.57 0.31 2.57 4.77 0.25 -3.95 117.00 118.16 1x4f n LEU 44 Ca 0.01 -0.06 0.21 0.00 -0.03 0.00 0.00 56.01 56.13 1x4f n LEU 44 Cb 0.53 -0.22 1.11 0.00 -2.33 0.00 0.00 43.42 42.51 1x4f n LEU 44 CO 0.36 0.14 1.13 0.50 -1.33 0.00 0.00 177.39 178.19 1x4f h LYS 45 N 0.00 0.00 -0.01 3.23 3.64 0.75 0.23 116.57 124.40 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x4f h LYS 45 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1x4f h LYS 45 CO 0.00 0.00 -0.07 1.47 -2.27 0.00 0.00 179.45 178.58 1x4f n LEU 46 N -2.99 1.50 0.00 5.20 -0.00 -1.25 -3.83 117.00 115.62 1x4f n LEU 46 Ca -0.02 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.50 1x4f n LEU 46 Cb 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1x4f n LEU 46 CO 0.20 0.26 0.14 0.00 -0.00 0.00 0.00 177.39 177.98 1x4f n ALA 47 N 0.05 1.72 0.30 1.47 0.00 0.63 -4.74 120.51 119.94 1x4f n ALA 47 Ca 0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1x4f n ALA 47 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.76 0.00 0.00 4.39 -1.11 -2.08 114.58 115.01 1x4f h GLU 48 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1x4f h GLU 48 Cb 0.11 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1x4f h GLU 48 CO 0.00 -0.51 0.00 -0.35 -1.16 0.00 0.00 179.01 176.99 1x4f n PRO 49 N -5.01 0.49 -0.11 2.33 -0.04 -1.26 -2.57 135.00 128.83 1x4f n PRO 49 Ca -0.10 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 1x4f n PRO 49 Cb 0.31 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.86 0.00 0.00 0.54 4.01 -1.16 -5.09 117.16 114.60 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 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 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 2.24 0.32 3.69 2.72 0.00 -0.79 -4.38 105.19 108.98 1x4f n GLY 51 Ca -0.40 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 4.26 -0.81 1.61 1.02 -1.26 -4.36 119.74 118.19 1x4f s LYS 52 Ca 0.00 2.09 -0.26 0.00 0.02 0.00 0.00 55.97 57.82 1x4f s LYS 52 Cb 0.00 -3.54 0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1x4f s LYS 52 CO 0.00 -0.61 1.39 0.42 -0.92 0.00 0.00 175.35 175.63 1x4f s ILE 53 N 2.34 3.74 0.13 2.17 1.01 -1.26 0.55 121.20 129.87 1x4f s ILE 53 Ca 0.67 0.06 0.13 0.00 0.00 0.00 0.00 60.65 61.51 1x4f s ILE 53 Cb -0.35 -4.85 0.00 0.00 0.01 0.00 0.00 42.46 37.28 1x4f s ILE 53 CO 0.29 -1.78 1.55 0.11 0.00 0.00 0.00 174.94 175.11 1x4f h LYS 54 N 10.40 0.00 -1.66 2.79 6.56 -1.75 -3.47 116.57 129.44 1x4f h LYS 54 Ca -0.14 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.50 1x4f h LYS 54 Cb 1.05 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.48 1x4f h LYS 54 CO 1.31 0.60 0.46 1.21 -2.06 0.00 0.00 179.45 180.98 1x4f s ASN 55 N -6.62 -0.44 0.04 0.86 2.47 -1.19 -5.04 114.94 105.02 1x4f s ASN 55 Ca 0.01 0.52 -0.07 0.00 0.42 0.00 0.00 52.86 53.74 1x4f s ASN 55 Cb 0.11 0.41 -0.01 0.00 -1.45 0.00 0.00 41.25 40.31 1x4f s ASN 55 CO 0.75 -0.38 0.13 -0.72 -3.72 0.00 0.00 177.10 173.16 1x4f s TYR 56 N -0.99 0.17 -0.11 0.43 1.13 -1.26 0.26 117.35 116.98 1x4f s TYR 56 Ca -0.03 -0.48 -0.01 0.00 -1.41 0.00 0.00 57.07 55.14 1x4f s TYR 56 Cb -0.01 -0.11 0.03 0.00 -1.10 0.00 0.00 41.96 40.77 1x4f s TYR 56 CO 0.03 -0.41 -0.03 0.42 -2.51 0.00 0.00 175.55 173.05 1x4f s ILE 57 N -2.81 0.71 -0.62 -3.49 -1.09 0.14 -4.95 121.20 109.09 1x4f s ILE 57 Ca -0.03 -0.20 -0.09 0.00 -2.23 0.00 0.00 60.65 58.10 1x4f s ILE 57 Cb 0.00 -0.86 0.16 0.00 -1.58 0.00 0.00 42.46 40.18 1x4f s ILE 57 CO -0.05 0.22 0.49 -0.76 -1.23 0.00 0.00 174.94 173.61 1x4f s LEU 58 N 1.83 5.86 -0.28 2.97 2.01 -1.26 -0.87 118.68 128.93 1x4f s LEU 58 Ca 0.04 -2.41 -0.15 0.00 0.01 0.00 0.00 54.13 51.62 1x4f s LEU 58 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 46.19 44.01 1x4f s LEU 58 CO -0.07 -0.57 0.36 -0.04 1.01 0.00 0.00 176.35 177.05 1x4f s MET 59 N 0.61 3.93 0.13 1.70 -1.94 0.81 -4.93 119.30 119.60 1x4f s MET 59 Ca 0.12 -0.07 0.21 0.00 -1.71 0.00 0.00 55.69 54.25 1x4f s MET 59 Cb -0.20 -3.68 -0.08 0.00 2.01 0.00 0.00 34.83 32.88 1x4f s MET 59 CO -0.04 -0.32 0.91 2.89 -0.01 0.00 0.00 175.02 178.45 1x4f n ARG 60 N 5.33 0.62 0.00 2.03 1.85 -1.26 -0.86 116.66 124.37 1x4f n ARG 60 Ca -0.09 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 1x4f n ARG 60 Cb 0.51 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 1x4f n ARG 60 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1x4f n MET 61 N -2.68 0.00 -1.58 2.89 2.81 -1.26 -2.76 117.12 114.53 1x4f n MET 61 Ca -0.03 0.65 -0.32 0.00 -1.81 0.00 0.00 57.70 56.19 1x4f n MET 61 Cb 0.63 -1.25 0.06 0.00 -0.71 0.00 0.00 33.22 31.95 1x4f n MET 61 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x4f n LYS 62 N -1.85 2.98 -3.92 0.03 4.01 -1.26 -4.94 118.16 113.21 1x4f n LYS 62 Ca 0.00 -3.58 -0.34 0.00 -0.51 0.00 0.00 58.31 53.88 1x4f n LYS 62 Cb 0.00 -2.29 0.01 0.00 -0.51 0.00 0.00 35.03 32.24 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1x4f n SER 63 N -0.83 -4.40 -4.16 4.39 7.64 -1.11 -4.82 113.62 110.33 1x4f n SER 63 Ca 0.57 -1.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.23 1x4f n SER 63 Cb 0.73 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.27 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 -6.02 0.83 0.01 1.43 -0.21 -0.04 -3.38 119.66 112.28 1x4f s GLN 64 Ca 0.21 -1.35 -0.28 0.00 0.02 0.00 0.00 55.36 53.96 1x4f s GLN 64 Cb -0.12 -0.10 0.07 0.00 1.00 0.00 0.00 33.01 33.86 1x4f s GLN 64 CO 0.92 -0.07 0.63 0.00 -2.12 0.00 0.00 175.29 174.65 1x4f s ALA 65 N -3.72 -1.65 -0.16 6.09 0.00 -0.89 -0.13 121.76 121.29 1x4f s ALA 65 Ca 0.13 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 1x4f s ALA 65 Cb 0.06 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1x4f s ALA 65 CO -0.04 -0.47 0.04 -0.06 0.00 0.00 0.00 175.76 175.23 1x4f s PHE 66 N -1.87 0.80 -0.31 0.00 0.40 -0.05 -0.10 117.98 116.86 1x4f s PHE 66 Ca -0.08 -0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 55.57 1x4f s PHE 66 Cb -0.00 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.61 1x4f s PHE 66 CO 0.04 -0.52 0.13 0.42 0.70 0.00 0.00 175.22 175.99 1x4f s ILE 67 N 1.93 4.44 -0.57 0.64 1.01 0.21 0.23 121.20 129.09 1x4f s ILE 67 Ca 0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 1x4f s ILE 67 Cb -0.16 -3.27 0.05 0.00 0.01 0.00 0.00 42.46 39.10 1x4f s ILE 67 CO -0.07 0.06 0.86 -0.70 0.00 0.00 0.00 174.94 175.09 1x4f s GLU 68 N 1.58 3.22 0.94 2.79 2.12 0.14 -0.17 118.70 129.31 1x4f s GLU 68 Ca 0.04 -0.59 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1x4f s GLU 68 Cb -0.17 -4.11 0.15 0.00 0.26 0.00 0.00 34.13 30.26 1x4f s GLU 68 CO 0.05 -1.50 1.10 -1.64 -0.54 0.00 0.00 175.26 172.73 1x4f s MET 69 N 3.61 0.90 0.07 4.30 -1.94 -1.25 -2.54 119.30 122.44 1x4f s MET 69 Ca 0.24 1.14 -0.23 0.00 -1.71 0.00 0.00 55.69 55.14 1x4f s MET 69 Cb -0.16 -1.74 -0.14 0.00 2.01 0.00 0.00 34.83 34.80 1x4f s MET 69 CO 0.15 -2.58 1.61 1.49 -0.01 0.00 0.00 175.02 175.67 1x4f h GLU 70 N -1.81 0.10 -5.86 2.03 4.81 -0.18 -3.42 114.58 110.25 1x4f h GLU 70 Ca -0.49 -0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.21 1x4f h GLU 70 Cb 1.28 -0.02 -0.23 0.00 0.63 0.00 0.00 28.75 30.41 1x4f h GLU 70 CO 0.48 0.22 -0.82 0.95 -0.73 0.00 0.00 179.01 179.12 1x4f s THR 71 N -5.59 1.50 0.51 0.32 -4.23 -1.26 -5.01 115.64 101.88 1x4f s THR 71 Ca -0.14 -1.34 0.31 0.00 -1.18 0.00 0.00 61.69 59.35 1x4f s THR 71 Cb 0.06 -1.36 0.50 0.00 1.34 0.00 0.00 72.50 73.04 1x4f s THR 71 CO 0.68 -0.02 1.83 -0.09 -0.54 0.00 0.00 174.62 176.48 1x4f h ARG 72 N 4.43 0.08 0.46 3.99 2.43 -1.94 -1.73 114.38 122.10 1x4f h ARG 72 Ca -0.43 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1x4f h ARG 72 Cb 1.18 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1x4f h ARG 72 CO 0.41 0.06 -0.43 0.93 -1.51 0.00 0.00 179.97 179.43 1x4f h GLU 73 N 0.09 -0.85 -0.43 0.20 5.08 -1.98 0.79 114.58 117.48 1x4f h GLU 73 Ca 0.52 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 59.03 1x4f h GLU 73 Cb 1.92 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 31.27 1x4f h GLU 73 CO -0.07 -0.57 -0.19 -0.44 -1.00 0.00 0.00 179.01 176.75 1x4f h ASP 74 N -0.88 -0.65 -0.46 1.42 3.32 -1.52 0.28 116.42 117.93 1x4f h ASP 74 Ca -0.06 0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1x4f h ASP 74 Cb 0.75 0.36 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 1x4f h ASP 74 CO -0.03 -0.22 0.09 0.00 -1.72 0.00 0.00 179.24 177.36 1x4f h ALA 75 N 1.21 0.51 -0.44 3.45 0.00 -1.36 0.11 119.26 122.74 1x4f h ALA 75 Ca 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1x4f h ALA 75 Cb 0.42 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1x4f h ALA 75 CO -0.50 -0.31 0.01 0.52 0.00 0.00 0.00 179.25 178.97 1x4f h MET 76 N 0.23 0.72 -0.52 0.00 2.86 0.36 -2.54 114.93 116.04 1x4f h MET 76 Ca 0.23 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1x4f h MET 76 Cb 0.29 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1x4f h MET 76 CO -0.29 0.73 -0.10 0.00 1.06 0.00 0.00 176.91 178.30 1x4f h ALA 77 N 1.33 0.71 0.97 6.32 0.00 0.68 -2.37 119.26 126.90 1x4f h ALA 77 Ca 0.14 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1x4f h ALA 77 Cb 0.41 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1x4f h ALA 77 CO 0.02 0.61 -0.46 1.98 0.00 0.00 0.00 179.25 181.39 1x4f h MET 78 N 0.85 -1.25 -0.77 0.00 4.05 -0.57 -0.08 114.93 117.16 1x4f h MET 78 Ca 0.13 0.09 0.19 0.00 -0.28 0.00 0.00 59.70 59.83 1x4f h MET 78 Cb 0.66 0.28 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 1x4f h MET 78 CO 0.05 -0.83 0.53 -0.39 0.23 0.00 0.00 176.91 176.49 1x4f h VAL 79 N -1.35 0.69 0.03 -5.77 -1.51 -1.52 -1.48 116.25 105.34 1x4f h VAL 79 Ca -0.13 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1x4f h VAL 79 Cb 1.00 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1x4f h VAL 79 CO 0.22 0.04 -0.02 -0.78 -1.23 0.00 0.00 177.57 175.80 1x4f h ASP 80 N 0.20 -0.04 -0.09 4.19 1.82 -1.12 -2.86 116.42 118.53 1x4f h ASP 80 Ca 0.38 -0.49 0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1x4f h ASP 80 Cb 1.19 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 1x4f h ASP 80 CO -0.07 0.49 0.43 -0.74 -1.61 0.00 0.00 179.24 177.73 1x4f h HIS 81 N -0.57 0.00 0.00 0.28 2.76 0.07 0.73 115.15 118.41 1x4f h HIS 81 Ca -0.00 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 1x4f h HIS 81 Cb 0.53 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1x4f h HIS 81 CO 0.10 0.00 -1.29 0.00 -1.30 0.00 0.00 177.93 175.44 1x4f h LEU 83 N 0.00 0.22 0.03 0.00 3.38 0.69 -3.31 115.31 116.32 1x4f h LEU 83 Ca -0.14 -0.42 -0.14 0.00 0.09 0.00 0.00 57.88 57.27 1x4f h LEU 83 Cb 1.61 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.31 1x4f h LEU 83 CO 0.06 0.59 -0.57 0.11 0.09 0.00 0.00 178.44 178.72 1x4f h LYS 84 N -0.15 0.33 -6.67 1.13 6.56 -1.64 -3.46 116.57 112.68 1x4f h LYS 84 Ca 0.02 -0.40 -0.69 0.00 -1.06 0.00 0.00 60.65 58.53 1x4f h LYS 84 Cb 0.51 0.12 -0.22 0.00 -0.57 0.00 0.00 32.23 32.07 1x4f h LYS 84 CO 0.02 1.10 -0.83 0.15 -2.06 0.00 0.00 179.45 177.83 1x4f s LYS 85 N -2.99 1.89 -0.18 3.15 -0.14 -1.03 -5.09 119.74 115.34 1x4f s LYS 85 Ca -0.14 -1.08 -0.29 0.00 -1.36 0.00 0.00 55.97 53.10 1x4f s LYS 85 Cb 0.02 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 1x4f s LYS 85 CO 0.81 0.51 1.31 0.00 -0.76 0.00 0.00 175.35 177.22 1x4f s ALA 86 N -0.96 3.60 -0.44 5.17 0.00 -1.26 -3.72 121.76 124.15 1x4f s ALA 86 Ca 0.15 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 1x4f s ALA 86 Cb -0.10 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.38 1x4f s ALA 86 CO 0.06 -1.32 0.86 -1.17 0.00 0.00 0.00 175.76 174.18 1x4f s LEU 87 N 3.75 4.12 -0.15 0.00 0.20 -1.26 -5.03 118.68 120.30 1x4f s LEU 87 Ca 0.57 0.07 -0.06 0.00 0.69 0.00 0.00 54.13 55.40 1x4f s LEU 87 Cb -0.22 -3.09 -0.04 0.00 -0.43 0.00 0.00 46.19 42.41 1x4f s LEU 87 CO 0.18 -0.96 0.06 0.26 -0.29 0.00 0.00 176.35 175.60 1x4f s TRP 88 N 3.50 3.29 -0.23 5.38 0.52 -1.26 -3.56 118.94 126.58 1x4f s TRP 88 Ca 0.34 0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.64 1x4f s TRP 88 Cb -0.11 -1.99 0.06 0.00 -1.15 0.00 0.00 33.47 30.28 1x4f s TRP 88 CO 0.24 0.33 -0.03 0.12 0.02 0.00 0.00 176.95 177.63 1x4f s PHE 89 N -0.15 2.12 -1.88 -1.98 5.36 0.54 -4.74 117.98 117.25 1x4f s PHE 89 Ca 0.07 -1.60 0.00 0.00 -0.96 0.00 0.00 56.93 54.44 1x4f s PHE 89 Cb -0.12 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.05 1x4f s PHE 89 CO 0.01 -0.75 0.00 1.04 -1.46 0.00 0.00 175.22 174.06 1x4f n GLN 90 N 4.75 -1.35 -0.44 10.12 1.13 -1.26 -1.48 117.38 128.84 1x4f n GLN 90 Ca -0.11 1.09 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 1x4f n GLN 90 Cb 0.44 -5.45 0.00 0.00 0.11 0.00 0.00 30.24 25.35 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 -0.77 0.73 3.11 1.08 0.00 -1.26 -5.02 105.19 103.05 1x4f n GLY 91 Ca -0.20 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.88 1.77 -1.06 1.61 1.81 -0.55 -5.03 118.95 116.62 1x4f s ARG 92 Ca 0.00 -0.56 -0.07 0.00 -1.72 0.00 0.00 55.73 53.38 1x4f s ARG 92 Cb 0.00 -1.51 -0.10 0.00 -0.45 0.00 0.00 34.95 32.89 1x4f s ARG 92 CO 0.00 0.19 2.64 0.00 -0.68 0.00 0.00 175.30 177.45 1x4f n VAL 94 N 3.64 0.34 -2.96 0.00 3.14 -1.23 -4.91 118.33 116.35 1x4f n VAL 94 Ca 0.57 -0.09 -0.43 0.00 -2.96 0.00 0.00 64.34 61.44 1x4f n VAL 94 Cb 0.28 -1.17 -0.05 0.00 -1.06 0.00 0.00 33.84 31.84 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 0.29 3.40 -0.43 1.45 2.20 -0.16 -4.76 119.74 121.72 1x4f s LYS 95 Ca 0.78 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 56.14 1x4f s LYS 95 Cb -0.79 -3.95 0.06 0.00 -1.51 0.00 0.00 37.83 31.64 1x4f s LYS 95 CO 0.46 -1.14 0.31 0.54 -0.36 0.00 0.00 175.35 175.15 1x4f s VAL 96 N 3.32 4.77 0.02 4.02 0.11 -1.26 -1.13 120.40 130.24 1x4f s VAL 96 Ca 0.30 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1x4f s VAL 96 Cb -0.12 -3.82 -0.01 0.00 -1.53 0.00 0.00 36.38 30.90 1x4f s VAL 96 CO 0.22 -0.47 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.65 1x4f s ASP 97 N 2.16 0.77 0.15 3.54 1.01 -0.11 -4.52 116.67 119.67 1x4f s ASP 97 Ca 0.03 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.69 1x4f s ASP 97 Cb -0.22 -0.03 -0.07 0.00 1.01 0.00 0.00 42.92 43.60 1x4f s ASP 97 CO 0.05 -0.05 1.19 -0.22 0.21 0.00 0.00 175.17 176.36 1x4f s LEU 98 N -0.77 4.43 -0.18 1.23 2.96 -1.26 -0.22 118.68 124.87 1x4f s LEU 98 Ca -0.03 2.16 -0.07 0.00 -0.22 0.00 0.00 54.13 55.97 1x4f s LEU 98 Cb -0.06 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1x4f s LEU 98 CO 0.00 -0.39 0.05 -0.94 -1.32 0.00 0.00 176.35 173.75 1x4f s SER 99 N 0.40 5.57 -0.07 3.68 1.04 -0.21 -4.87 113.70 119.24 1x4f s SER 99 Ca 0.54 0.08 0.11 0.00 0.48 0.00 0.00 55.95 57.16 1x4f s SER 99 Cb -0.31 -1.94 -0.23 0.00 0.10 0.00 0.00 66.02 63.63 1x4f s SER 99 CO 0.34 0.18 0.56 -0.62 0.98 0.00 0.00 173.24 174.68 1x4f n GLU 100 N 3.46 0.65 -0.18 4.02 1.02 -1.26 -4.23 120.64 124.13 1x4f n GLU 100 Ca -0.17 0.26 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 1x4f n GLU 100 Cb 0.52 -1.75 0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1x4f n GLU 100 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1x4f h LYS 101 N 0.01 -0.06 -5.80 3.49 1.63 -1.99 -3.39 116.57 110.46 1x4f h LYS 101 Ca -0.33 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 58.83 1x4f h LYS 101 Cb 2.04 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 33.62 1x4f h LYS 101 CO 0.07 -0.04 -0.35 0.71 -3.45 0.00 0.00 179.45 176.39 1x4f s TYR 102 N -6.17 3.65 -0.22 1.91 2.02 -1.26 -4.99 117.35 112.28 1x4f s TYR 102 Ca -0.14 0.74 0.08 0.00 -0.37 0.00 0.00 57.07 57.37 1x4f s TYR 102 Cb 0.17 -2.11 -0.19 0.00 -0.40 0.00 0.00 41.96 39.43 1x4f s TYR 102 CO 0.72 0.68 -0.10 1.63 -1.57 0.00 0.00 175.55 176.90 1x4f n LYS 103 N 1.97 0.73 -3.67 -0.62 4.76 -1.26 -4.53 118.16 115.53 1x4f n LYS 103 Ca -0.17 0.08 -0.15 0.00 -2.87 0.00 0.00 58.31 55.20 1x4f n LYS 103 Cb 0.54 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.17 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1x4f s LYS 104 N -2.47 0.79 -0.68 1.97 -2.85 -1.26 -2.94 119.74 112.30 1x4f s LYS 104 Ca -0.23 0.08 -0.23 0.00 -1.00 0.00 0.00 55.97 54.59 1x4f s LYS 104 Cb 0.07 0.36 0.07 0.00 -2.06 0.00 0.00 37.83 36.27 1x4f s LYS 104 CO 0.64 -0.22 1.02 -0.51 0.10 0.00 0.00 175.35 176.38 1x4f s LEU 105 N -1.06 4.24 -0.04 2.77 1.43 -1.26 -5.00 118.68 119.75 1x4f s LEU 105 Ca -0.11 -0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 51.74 1x4f s LEU 105 Cb -0.03 -2.44 -0.07 0.00 0.03 0.00 0.00 46.19 43.68 1x4f s LEU 105 CO 0.06 -1.48 1.84 0.68 0.23 0.00 0.00 176.35 177.68 1x4f s VAL 106 N 4.25 3.28 -0.28 -1.59 -7.23 -1.26 -4.95 120.40 112.63 1x4f s VAL 106 Ca 0.24 0.34 -0.24 0.00 -1.81 0.00 0.00 61.98 60.52 1x4f s VAL 106 Cb -0.15 -3.24 0.13 0.00 0.56 0.00 0.00 36.38 33.68 1x4f s VAL 106 CO 0.10 -0.05 1.05 -0.55 -0.31 0.00 0.00 175.10 175.34 1x4f s SER 107 N 4.37 -0.43 0.00 4.85 0.15 -1.26 -5.16 113.70 116.22 1x4f s SER 107 Ca 0.82 0.81 0.00 0.00 0.70 0.00 0.00 55.95 58.28 1x4f s SER 107 Cb -0.37 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1x4f s SER 107 CO 0.35 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1x4f n GLY 108 N 2.41 -2.12 3.59 9.45 0.00 -1.26 -5.00 105.19 112.25 1x4f n GLY 108 Ca -0.13 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.05 -1.40 -0.12 1.61 0.04 -1.26 -5.04 135.00 125.77 1x4f s PRO 109 Ca 0.00 -0.14 -0.06 0.00 0.04 0.00 0.00 61.00 60.84 1x4f s PRO 109 Cb 0.00 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.90 1x4f s PRO 109 CO 0.00 -3.81 -0.16 0.45 0.04 0.00 0.00 177.00 173.52 1x4f n SER 110 N -4.82 0.92 -4.56 6.66 2.88 -1.26 -4.92 113.62 108.52 1x4f n SER 110 Ca 0.14 0.15 -0.41 0.00 -1.33 0.00 0.00 58.87 57.42 1x4f n SER 110 Cb 0.60 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 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 -6.10 5.97 0.00 -3.46 0.15 -1.26 -5.31 113.70 103.69 1x4f s SER 111 Ca -0.17 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1x4f s SER 111 Cb 0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1x4f s SER 111 CO 0.22 -1.89 0.00 0.61 1.20 0.00 0.00 173.24 173.38