#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v3f s SER 2 N 0.00 -0.06 0.26 1.61 1.04 -1.26 -5.18 113.70 110.11 1v3f s SER 2 Ca 0.00 0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1v3f s SER 2 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1v3f s SER 2 CO 0.00 -0.02 0.12 -0.55 0.98 0.00 0.00 173.24 173.77 1v3f s SER 3 N 0.31 5.11 0.22 7.02 0.15 -1.26 -5.03 113.70 120.22 1v3f s SER 3 Ca 0.03 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1v3f s SER 3 Cb -0.04 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1v3f s SER 3 CO -0.14 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1v3f n GLY 4 N -1.07 -1.18 3.73 9.45 0.00 -1.26 -4.84 105.19 110.02 1v3f n GLY 4 Ca -0.07 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1v3f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v3f n SER 5 N -4.32 -4.99 -3.36 1.61 7.64 -1.26 -4.78 113.62 104.15 1v3f n SER 5 Ca -0.00 -0.79 -0.38 0.00 1.01 0.00 0.00 58.87 58.70 1v3f n SER 5 Cb 0.60 -1.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.12 1v3f n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v3f n SER 6 N -2.09 7.88 0.06 6.43 2.88 -1.26 -4.11 113.62 123.41 1v3f n SER 6 Ca -0.27 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 1v3f n SER 6 Cb 0.69 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1v3f n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v3f n GLY 7 N 1.65 -1.31 0.44 0.46 0.00 -1.26 -4.94 105.19 100.23 1v3f n GLY 7 Ca 0.61 0.45 0.37 0.00 0.00 0.00 0.00 46.02 47.45 1v3f n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v3f n LEU 8 N -2.96 0.19 0.32 0.99 4.77 -1.26 0.18 117.00 119.22 1v3f n LEU 8 Ca 0.00 1.26 -0.17 0.00 -0.03 0.00 0.00 56.01 57.07 1v3f n LEU 8 Cb 0.00 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.39 1v3f n LEU 8 CO 0.00 -1.36 0.65 -0.74 -1.33 0.00 0.00 177.39 174.60 1v3f h HIS 9 N 0.00 -0.71 0.00 -1.77 2.76 -1.93 0.48 115.15 113.98 1v3f h HIS 9 Ca 0.81 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.96 1v3f h HIS 9 Cb 2.64 0.24 -0.00 0.00 1.55 0.00 0.00 27.41 31.84 1v3f h HIS 9 CO -0.01 -0.42 -0.01 0.07 -1.30 0.00 0.00 177.93 176.26 1v3f h ARG 10 N -0.82 0.00 0.17 5.26 -0.00 0.16 -0.65 114.38 118.50 1v3f h ARG 10 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.64 1v3f h ARG 10 Cb 0.61 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.61 1v3f h ARG 10 CO 0.13 0.01 -1.12 0.82 -0.00 0.00 0.00 179.97 179.81 1v3f h ILE 11 N 0.00 1.38 -0.65 0.08 2.04 -0.05 -2.99 117.51 117.31 1v3f h ILE 11 Ca -0.00 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.29 1v3f h ILE 11 Cb 0.06 3.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1v3f h ILE 11 CO 0.00 0.75 0.32 0.58 0.00 0.00 0.00 178.15 179.80 1v3f h VAL 12 N -0.04 1.22 0.00 1.67 2.07 0.12 -1.23 116.25 120.06 1v3f h VAL 12 Ca -0.19 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1v3f h VAL 12 Cb 1.86 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 1v3f h VAL 12 CO 0.21 0.26 -0.19 0.44 0.02 0.00 0.00 177.57 178.30 1v3f h ASP 13 N 0.90 -0.57 0.01 0.57 5.19 -1.24 0.15 116.42 121.44 1v3f h ASP 13 Ca 0.23 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.75 1v3f h ASP 13 Cb 0.11 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.81 1v3f h ASP 13 CO -0.03 -0.26 -0.31 0.50 -3.12 0.00 0.00 179.24 176.02 1v3f h LYS 14 N -0.31 -0.46 -0.58 3.56 3.64 -1.33 -1.86 116.57 119.23 1v3f h LYS 14 Ca 0.06 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.59 1v3f h LYS 14 Cb 0.39 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.21 1v3f h LYS 14 CO -0.18 -0.30 -0.06 0.52 -2.27 0.00 0.00 179.45 177.16 1v3f h MET 15 N -0.47 0.06 -1.21 1.90 2.86 -0.77 0.37 114.93 117.67 1v3f h MET 15 Ca 0.06 -0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.06 1v3f h MET 15 Cb 0.55 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.09 1v3f h MET 15 CO -0.25 0.04 0.79 0.45 1.06 0.00 0.00 176.91 179.00 1v3f h HIS 16 N 0.06 0.52 -4.13 -0.22 3.86 0.14 -2.72 115.15 112.65 1v3f h HIS 16 Ca 0.29 0.02 -0.49 0.00 -1.16 0.00 0.00 60.37 59.03 1v3f h HIS 16 Cb 0.46 -0.14 0.14 0.00 1.06 0.00 0.00 27.41 28.93 1v3f h HIS 16 CO -0.40 -0.08 0.27 0.34 0.86 0.00 0.00 177.93 178.92 1v3f s ASP 17 N -4.84 3.72 -0.05 2.45 2.15 0.13 -4.92 116.67 115.31 1v3f s ASP 17 Ca -0.08 1.56 0.06 0.00 0.43 0.00 0.00 52.55 54.52 1v3f s ASP 17 Cb 0.27 -2.25 -0.08 0.00 -0.30 0.00 0.00 42.92 40.56 1v3f s ASP 17 CO 0.81 -2.49 0.05 1.07 -0.17 0.00 0.00 175.17 174.44 1v3f n THR 18 N -3.79 0.34 0.17 1.71 5.66 -1.26 -2.91 114.28 114.20 1v3f n THR 18 Ca 0.07 -0.24 -0.07 0.00 -3.05 0.00 0.00 64.05 60.76 1v3f n THR 18 Cb 0.55 -0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 68.69 1v3f n THR 18 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1v3f h SER 19 N 0.00 -0.40 0.00 1.09 0.02 -1.92 -3.38 113.55 108.97 1v3f h SER 19 Ca -0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1v3f h SER 19 Cb 1.17 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1v3f h SER 19 CO 0.01 -0.15 -1.61 1.07 -1.14 0.00 0.00 176.83 175.01 1v3f n THR 20 N -4.00 0.00 0.00 -2.27 5.66 -1.26 -4.96 114.28 107.45 1v3f n THR 20 Ca -0.06 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1v3f n THR 20 Cb 0.18 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1v3f n THR 20 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1v3f n GLY 21 N 1.38 -1.93 3.85 1.09 0.00 -1.17 -4.86 105.19 103.54 1v3f n GLY 21 Ca -0.01 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1v3f n GLY 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1v3f s ILE 22 N 0.00 4.60 -0.48 -0.61 1.10 -1.03 -4.77 121.20 120.01 1v3f s ILE 22 Ca 0.00 1.06 0.03 0.00 -0.51 0.00 0.00 60.65 61.23 1v3f s ILE 22 Cb 0.00 -3.74 0.14 0.00 0.15 0.00 0.00 42.46 39.01 1v3f s ILE 22 CO 0.00 -0.69 0.27 -0.13 -2.11 0.00 0.00 174.94 172.27 1v3f s ARG 23 N -4.12 1.60 0.28 3.50 0.52 -1.26 -4.50 118.95 114.97 1v3f s ARG 23 Ca 0.57 -2.32 -0.29 0.00 -0.52 0.00 0.00 55.73 53.17 1v3f s ARG 23 Cb -0.10 -2.72 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 1v3f s ARG 23 CO 0.33 -1.16 1.08 -1.25 0.02 0.00 0.00 175.30 174.32 1v3f s PRO 24 N -0.01 4.64 0.32 3.54 0.04 -1.26 -4.91 135.00 137.36 1v3f s PRO 24 Ca 0.18 1.75 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1v3f s PRO 24 Cb -0.23 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 1v3f s PRO 24 CO -0.02 0.23 0.04 -1.54 0.04 0.00 0.00 177.00 175.76 1v3f s SER 25 N -0.95 4.44 0.14 6.66 1.04 -0.98 -4.79 113.70 119.26 1v3f s SER 25 Ca 0.45 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 56.01 1v3f s SER 25 Cb -0.31 -0.68 -0.06 0.00 0.10 0.00 0.00 66.02 65.07 1v3f s SER 25 CO 0.39 -0.18 1.34 1.55 0.98 0.00 0.00 173.24 177.32 1v3f h PRO 26 N 1.76 0.46 -4.86 4.02 0.13 -1.74 -3.38 132.00 128.38 1v3f h PRO 26 Ca -0.43 -0.44 -0.47 0.00 -0.87 0.00 0.00 66.00 63.79 1v3f h PRO 26 Cb 1.25 0.11 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 1v3f h PRO 26 CO 0.63 1.09 1.75 -1.71 -0.23 0.00 0.00 178.00 179.53 1v3f n ASN 27 N -3.79 0.04 -3.04 1.44 5.15 -1.26 -3.96 115.26 109.82 1v3f n ASN 27 Ca -0.06 0.07 -0.10 0.00 -0.60 0.00 0.00 54.58 53.89 1v3f n ASN 27 Cb 0.79 -0.84 0.05 0.00 -0.53 0.00 0.00 39.78 39.25 1v3f n ASN 27 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 1v3f n MET 28 N 7.85 0.27 -0.12 1.20 0.00 -1.26 -4.90 117.12 120.16 1v3f n MET 28 Ca 0.64 -1.12 -0.22 0.00 0.00 0.00 0.00 57.70 57.01 1v3f n MET 28 Cb 0.04 -0.29 -0.07 0.00 0.00 0.00 0.00 33.22 32.90 1v3f n MET 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1v3f n GLU 29 N -1.79 0.57 -3.65 3.17 2.13 -1.26 -5.03 120.64 114.78 1v3f n GLU 29 Ca 0.07 0.25 -0.02 0.00 0.66 0.00 0.00 57.16 58.11 1v3f n GLU 29 Cb 0.24 -1.47 -0.07 0.00 0.27 0.00 0.00 31.44 30.42 1v3f n GLU 29 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1v3f s GLN 30 N -2.66 0.33 0.48 5.31 0.74 -1.26 -5.12 119.66 117.49 1v3f s GLN 30 Ca -0.35 0.56 0.00 0.00 0.05 0.00 0.00 55.36 55.62 1v3f s GLN 30 Cb 0.11 0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1v3f s GLN 30 CO 0.47 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 1v3f n GLY 31 N 3.48 0.98 3.76 2.59 0.00 -1.26 -4.95 105.19 109.78 1v3f n GLY 31 Ca -0.18 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1v3f n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v3f s SER 32 N -4.00 6.63 -0.95 1.61 0.15 -1.26 -4.91 113.70 110.97 1v3f s SER 32 Ca 0.00 2.75 -0.24 0.00 0.70 0.00 0.00 55.95 59.16 1v3f s SER 32 Cb 0.00 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1v3f s SER 32 CO 0.00 -0.68 1.40 -0.89 1.20 0.00 0.00 173.24 174.27 1v3f s THR 33 N -0.55 3.90 -0.45 6.45 2.01 -1.26 -4.73 115.64 121.01 1v3f s THR 33 Ca 0.55 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 1v3f s THR 33 Cb -0.42 -5.02 -0.03 0.00 0.01 0.00 0.00 72.50 67.04 1v3f s THR 33 CO 0.50 -1.91 1.99 -0.31 -0.69 0.00 0.00 174.62 174.20 1v3f s TYR 34 N 5.07 1.54 -0.11 4.92 2.02 -1.25 -4.83 117.35 124.71 1v3f s TYR 34 Ca 0.43 0.87 -0.03 0.00 -0.37 0.00 0.00 57.07 57.96 1v3f s TYR 34 Cb -0.02 -3.98 -0.01 0.00 -0.40 0.00 0.00 41.96 37.55 1v3f s TYR 34 CO -0.04 -2.76 -0.06 0.87 -1.57 0.00 0.00 175.55 171.98 1v3f h LYS 35 N 15.21 0.00 -3.09 -0.62 1.57 -1.79 -3.36 116.57 124.48 1v3f h LYS 35 Ca -0.30 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.90 1v3f h LYS 35 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.53 1v3f h LYS 35 CO 1.11 0.00 3.47 1.63 -0.57 0.00 0.00 179.45 185.10 1v3f n LYS 36 N -4.53 3.26 -3.82 3.15 5.02 -1.26 -3.44 118.16 116.54 1v3f n LYS 36 Ca -0.03 -1.99 -0.12 0.00 -2.02 0.00 0.00 58.31 54.16 1v3f n LYS 36 Cb 0.10 -2.70 -0.11 0.00 -0.02 0.00 0.00 35.03 32.30 1v3f n LYS 36 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1v3f s THR 37 N 2.47 0.03 -0.08 -0.18 -4.23 -1.26 -4.46 115.64 107.93 1v3f s THR 37 Ca 0.62 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1v3f s THR 37 Cb 0.16 -0.36 0.02 0.00 1.34 0.00 0.00 72.50 73.66 1v3f s THR 37 CO -0.05 -0.15 -0.07 0.72 -0.54 0.00 0.00 174.62 174.52 1v3f s PHE 38 N -0.53 1.24 0.86 3.99 -0.12 -0.83 -2.31 117.98 120.28 1v3f s PHE 38 Ca -0.06 -0.52 -0.16 0.00 -0.05 0.00 0.00 56.93 56.14 1v3f s PHE 38 Cb -0.04 -1.03 -0.11 0.00 -0.63 0.00 0.00 43.02 41.21 1v3f s PHE 38 CO 0.01 -0.37 -0.30 1.28 -0.05 0.00 0.00 175.22 175.79 1v3f n LEU 39 N 4.51 -3.72 0.26 -1.99 4.77 -1.26 -2.55 117.00 117.02 1v3f n LEU 39 Ca -0.17 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.27 1v3f n LEU 39 Cb 0.51 -0.91 0.68 0.00 -2.33 0.00 0.00 43.42 41.37 1v3f n LEU 39 CO 0.19 -5.02 0.99 1.23 -1.33 0.00 0.00 177.39 173.45 1v3f h GLY 40 N -0.81 0.00 1.17 -0.72 0.00 0.23 -2.00 103.07 100.93 1v3f h GLY 40 Ca -0.44 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.66 1v3f h GLY 40 CO 0.31 0.00 -0.83 0.23 0.00 0.00 0.00 176.54 176.25 1v3f h SER 41 N 0.00 0.93 -0.51 0.19 0.87 -1.66 -2.53 113.55 110.84 1v3f h SER 41 Ca -0.00 -0.66 0.07 0.00 -1.23 0.00 0.00 61.79 59.97 1v3f h SER 41 Cb 0.22 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 1v3f h SER 41 CO 0.01 1.44 0.19 -1.28 -0.53 0.00 0.00 176.83 176.66 1v3f h SER 42 N 0.48 0.19 0.83 6.23 0.87 -1.67 0.53 113.55 121.02 1v3f h SER 42 Ca -0.07 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1v3f h SER 42 Cb 1.47 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 63.48 1v3f h SER 42 CO 0.17 0.14 -0.40 0.25 -0.53 0.00 0.00 176.83 176.46 1v3f h LEU 43 N 0.37 -0.95 0.00 2.23 5.85 -1.51 0.90 115.31 122.20 1v3f h LEU 43 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1v3f h LEU 43 Cb 0.26 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1v3f h LEU 43 CO -0.25 -0.62 0.00 0.52 -0.34 0.00 0.00 178.44 177.75 1v3f n VAL 44 N -5.54 0.00 -0.32 1.05 0.31 -0.96 0.10 118.33 112.97 1v3f n VAL 44 Ca -0.15 1.39 -0.03 0.00 -0.01 0.00 0.00 64.34 65.55 1v3f n VAL 44 Cb 0.45 -1.99 0.02 0.00 -0.91 0.00 0.00 33.84 31.41 1v3f n VAL 44 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1v3f h ASP 45 N 0.00 -1.39 -0.04 4.52 1.82 -0.97 0.50 116.42 120.87 1v3f h ASP 45 Ca 0.00 0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1v3f h ASP 45 Cb 0.00 0.71 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 1v3f h ASP 45 CO 0.00 -0.29 -0.06 -0.25 -1.61 0.00 0.00 179.24 177.02 1v3f h TRP 46 N -0.06 -0.19 -0.78 0.28 7.01 0.54 1.23 115.95 123.98 1v3f h TRP 46 Ca 0.30 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.41 1v3f h TRP 46 Cb 0.58 0.09 -0.11 0.00 -2.10 0.00 0.00 29.16 27.61 1v3f h TRP 46 CO -0.80 -0.06 -0.38 1.28 -2.79 0.00 0.00 178.44 175.69 1v3f n LEU 47 N -2.97 -0.65 0.08 0.65 4.77 0.29 0.23 117.00 119.40 1v3f n LEU 47 Ca -0.01 1.37 -0.12 0.00 -0.03 0.00 0.00 56.01 57.23 1v3f n LEU 47 Cb 0.04 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1v3f n LEU 47 CO 0.00 -1.18 0.71 0.40 -1.33 0.00 0.00 177.39 175.99 1v3f h ILE 48 N 0.00 0.47 -0.65 -0.08 2.04 0.39 0.77 117.51 120.46 1v3f h ILE 48 Ca 0.20 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.17 1v3f h ILE 48 Cb 0.40 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1v3f h ILE 48 CO -0.76 0.00 0.43 -1.28 0.00 0.00 0.00 178.15 176.55 1v3f h SER 49 N -0.40 0.39 0.67 1.72 0.87 1.01 0.86 113.55 118.68 1v3f h SER 49 Ca 0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1v3f h SER 49 Cb 0.45 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1v3f h SER 49 CO -0.17 0.23 0.00 -1.20 -0.53 0.00 0.00 176.83 175.16 1v3f n SER 50 N -4.47 0.00 -0.24 6.23 7.64 0.62 -4.86 113.62 118.53 1v3f n SER 50 Ca 0.11 0.12 -0.03 0.00 1.01 0.00 0.00 58.87 60.08 1v3f n SER 50 Cb 0.40 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 1v3f n SER 50 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1v3f n ASN 51 N -1.37 -3.27 0.11 6.43 5.15 0.30 -4.90 115.26 117.71 1v3f n ASN 51 Ca 0.11 0.07 0.12 0.00 -0.60 0.00 0.00 54.58 54.27 1v3f n ASN 51 Cb 0.25 -1.14 0.04 0.00 -0.53 0.00 0.00 39.78 38.41 1v3f n ASN 51 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1v3f h PHE 52 N 0.00 0.00 -3.93 1.20 0.04 0.29 -3.47 116.94 111.07 1v3f h PHE 52 Ca -0.06 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.45 1v3f h PHE 52 Cb 0.25 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.20 1v3f h PHE 52 CO 0.09 0.00 -0.72 0.00 -0.60 0.00 0.00 178.31 177.07 1v3f s ALA 53 N -3.32 0.69 -0.12 2.45 0.00 -1.18 -4.87 121.76 115.40 1v3f s ALA 53 Ca 0.01 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1v3f s ALA 53 Cb 0.10 0.07 -0.26 0.00 0.00 0.00 0.00 23.12 23.03 1v3f s ALA 53 CO 0.77 -0.08 0.41 0.00 0.00 0.00 0.00 175.76 176.86 1v3f h ALA 54 N 4.08 0.33 -2.40 0.00 0.00 -1.91 -3.38 119.26 115.98 1v3f h ALA 54 Ca -0.36 -1.29 -0.22 0.00 0.00 0.00 0.00 54.91 53.05 1v3f h ALA 54 Cb 1.19 0.65 -0.15 0.00 0.00 0.00 0.00 17.79 19.48 1v3f h ALA 54 CO 0.47 1.11 -0.65 -1.12 0.00 0.00 0.00 179.25 179.06 1v3f s SER 55 N -7.05 0.56 0.45 0.00 0.01 -1.26 -5.01 113.70 101.40 1v3f s SER 55 Ca -0.22 -1.22 0.30 0.00 1.31 0.00 0.00 55.95 56.12 1v3f s SER 55 Cb 0.06 0.25 1.40 0.00 0.21 0.00 0.00 66.02 67.94 1v3f s SER 55 CO 0.75 -0.70 1.67 0.03 0.41 0.00 0.00 173.24 175.40 1v3f h ARG 56 N 2.79 0.13 0.48 12.44 -0.00 -1.94 0.81 114.38 129.09 1v3f h ARG 56 Ca -0.36 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.09 1v3f h ARG 56 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.15 1v3f h ARG 56 CO 0.60 0.09 -0.23 1.25 0.00 0.00 0.00 179.97 181.67 1v3f h LEU 57 N 0.13 -0.54 -0.96 3.04 7.12 -1.98 0.12 115.31 122.24 1v3f h LEU 57 Ca 0.76 0.02 0.30 0.00 0.13 0.00 0.00 57.88 59.09 1v3f h LEU 57 Cb 2.43 0.14 -0.16 0.00 -0.53 0.00 0.00 40.66 42.54 1v3f h LEU 57 CO -0.32 -0.37 0.37 -0.33 -0.13 0.00 0.00 178.44 177.66 1v3f h GLU 58 N -0.67 0.17 -0.56 1.25 4.39 -1.28 1.33 114.58 119.21 1v3f h GLU 58 Ca -0.07 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1v3f h GLU 58 Cb 0.49 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1v3f h GLU 58 CO 0.11 0.11 0.20 0.00 -1.16 0.00 0.00 179.01 178.27 1v3f h ALA 59 N 1.88 0.73 -0.87 3.43 0.00 -1.05 0.44 119.26 123.81 1v3f h ALA 59 Ca 0.68 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.43 1v3f h ALA 59 Cb 1.53 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1v3f h ALA 59 CO -0.70 0.37 0.58 0.28 0.00 0.00 0.00 179.25 179.77 1v3f h VAL 60 N 0.77 1.17 -0.12 0.00 2.07 0.44 0.18 116.25 120.76 1v3f h VAL 60 Ca 0.18 -0.39 -0.21 0.00 0.82 0.00 0.00 66.70 67.11 1v3f h VAL 60 Cb 0.25 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1v3f h VAL 60 CO -0.01 0.21 -0.74 0.00 0.02 0.00 0.00 177.57 177.04 1v3f h THR 61 N 1.12 1.30 0.00 2.57 1.03 -0.18 -2.43 112.91 116.33 1v3f h THR 61 Ca 0.34 -1.98 -0.03 0.00 -0.01 0.00 0.00 66.41 64.74 1v3f h THR 61 Cb -0.03 2.10 -0.00 0.00 -1.07 0.00 0.00 68.15 69.15 1v3f h THR 61 CO -0.09 0.62 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.84 1v3f h LEU 62 N 0.40 0.00 0.40 0.00 4.07 0.58 -0.87 115.31 119.90 1v3f h LEU 62 Ca -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1v3f h LEU 62 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1v3f h LEU 62 CO 0.15 0.12 -0.19 0.00 -1.08 0.00 0.00 178.44 177.44 1v3f h ALA 63 N 1.88 -0.54 -0.86 1.53 0.00 -0.54 -2.58 119.26 118.14 1v3f h ALA 63 Ca -0.00 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.00 1v3f h ALA 63 Cb 0.23 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1v3f h ALA 63 CO 0.02 -0.53 0.61 0.66 0.00 0.00 0.00 179.25 180.01 1v3f h SER 64 N -1.10 0.09 -0.46 0.00 4.64 -1.20 0.30 113.55 115.82 1v3f h SER 64 Ca -0.06 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1v3f h SER 64 Cb 0.48 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1v3f h SER 64 CO 0.09 0.03 -0.01 0.24 -0.87 0.00 0.00 176.83 176.31 1v3f h MET 65 N 0.09 0.82 -0.13 4.77 2.07 -1.10 -1.34 114.93 120.11 1v3f h MET 65 Ca 0.42 -0.27 -0.02 0.00 -2.07 0.00 0.00 59.70 57.76 1v3f h MET 65 Cb 1.53 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 31.18 1v3f h MET 65 CO -0.04 0.88 -0.01 -0.07 1.07 0.00 0.00 176.91 178.73 1v3f h LEU 66 N 0.66 0.23 -0.99 1.22 3.38 -0.06 -1.92 115.31 117.83 1v3f h LEU 66 Ca 0.13 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 57.88 1v3f h LEU 66 Cb 0.52 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 1v3f h LEU 66 CO 0.03 0.51 0.62 0.24 0.09 0.00 0.00 178.44 179.92 1v3f h MET 67 N -0.05 0.96 -0.25 1.13 2.86 -1.08 0.99 114.93 119.49 1v3f h MET 67 Ca 0.04 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1v3f h MET 67 Cb 0.39 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1v3f h MET 67 CO 0.01 0.64 0.07 0.93 1.06 0.00 0.00 176.91 179.61 1v3f h GLU 68 N 0.99 0.39 0.00 1.72 4.39 -1.06 -1.56 114.58 119.46 1v3f h GLU 68 Ca 0.49 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1v3f h GLU 68 Cb 0.46 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1v3f h GLU 68 CO -0.26 0.48 0.00 0.39 -1.16 0.00 0.00 179.01 178.47 1v3f n GLU 69 N -4.73 0.02 -1.88 2.33 -0.58 -0.58 -4.78 120.64 110.43 1v3f n GLU 69 Ca -0.03 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 1v3f n GLU 69 Cb 0.17 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1v3f n GLU 69 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1v3f n ASN 70 N -1.58 -1.35 -0.03 1.62 2.85 -0.58 -4.97 115.26 111.21 1v3f n ASN 70 Ca 0.01 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.51 1v3f n ASN 70 Cb 0.05 -0.40 -0.14 0.00 1.24 0.00 0.00 39.78 40.53 1v3f n ASN 70 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1v3f n PHE 71 N -2.48 0.00 -4.00 1.20 3.72 0.24 -4.27 117.46 111.86 1v3f n PHE 71 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1v3f n PHE 71 Cb 0.40 -0.54 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 1v3f n PHE 71 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1v3f s LEU 72 N -4.55 0.49 0.06 4.37 2.34 -1.23 -1.57 118.68 118.57 1v3f s LEU 72 Ca -0.07 -1.12 -0.15 0.00 0.06 0.00 0.00 54.13 52.85 1v3f s LEU 72 Cb 0.09 1.81 0.02 0.00 -0.56 0.00 0.00 46.19 47.56 1v3f s LEU 72 CO 0.73 -1.26 0.34 0.00 -1.06 0.00 0.00 176.35 175.10 1v3f s ARG 73 N -3.52 0.87 0.29 1.48 3.03 0.23 -4.14 118.95 117.18 1v3f s ARG 73 Ca 0.24 -0.52 -0.29 0.00 2.03 0.00 0.00 55.73 57.20 1v3f s ARG 73 Cb -0.01 0.38 -0.09 0.00 -1.03 0.00 0.00 34.95 34.20 1v3f s ARG 73 CO 0.13 -0.29 1.08 -1.25 -1.13 0.00 0.00 175.30 173.83 1v3f s PRO 74 N -2.75 4.61 0.38 3.89 0.04 -1.26 -0.92 135.00 138.98 1v3f s PRO 74 Ca -0.04 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1v3f s PRO 74 Cb -0.00 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 1v3f s PRO 74 CO -0.05 0.21 -0.00 0.08 0.04 0.00 0.00 177.00 177.28 1v3f s VAL 75 N -1.22 1.88 0.00 -0.36 1.01 0.47 -4.84 120.40 117.33 1v3f s VAL 75 Ca 0.45 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1v3f s VAL 75 Cb -0.30 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1v3f s VAL 75 CO 0.39 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1v3f n GLY 76 N -0.87 -1.05 0.06 4.51 0.00 -1.26 -3.69 105.19 102.89 1v3f n GLY 76 Ca -0.05 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1v3f n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v3f n VAL 77 N -0.21 0.81 -0.07 1.61 0.24 -1.26 -4.59 118.33 114.86 1v3f n VAL 77 Ca 0.00 -0.45 -0.07 0.00 -2.04 0.00 0.00 64.34 61.78 1v3f n VAL 77 Cb 0.00 -0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 31.58 1v3f n VAL 77 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1v3f h ARG 78 N 0.00 -0.11 -3.91 7.34 2.47 -1.92 -3.16 114.38 115.08 1v3f h ARG 78 Ca -0.32 0.01 -0.78 0.00 -1.26 0.00 0.00 59.98 57.63 1v3f h ARG 78 Cb 1.66 0.03 -0.25 0.00 -1.65 0.00 0.00 29.97 29.76 1v3f h ARG 78 CO -0.00 -0.08 0.71 -1.54 0.56 0.00 0.00 179.97 179.62 1v3f s SER 79 N -5.12 7.25 0.30 7.04 1.04 -1.26 -4.37 113.70 118.58 1v3f s SER 79 Ca -0.14 -3.42 0.00 0.00 0.48 0.00 0.00 55.95 52.87 1v3f s SER 79 Cb 0.13 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1v3f s SER 79 CO 0.69 -0.42 0.00 0.23 0.98 0.00 0.00 173.24 174.72 1v3f n MET 80 N 3.57 0.00 0.00 4.02 2.81 -1.19 -4.13 117.12 122.19 1v3f n MET 80 Ca 0.27 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 1v3f n MET 80 Cb 0.40 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.91 1v3f n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1v3f n GLY 81 N -1.48 0.40 2.58 3.03 0.00 -1.26 -0.16 105.19 108.30 1v3f n GLY 81 Ca 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 1v3f n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v3f n ALA 82 N 4.23 2.75 -1.82 4.61 0.00 -1.26 -5.11 120.51 123.91 1v3f n ALA 82 Ca 0.00 -2.90 -0.41 0.00 0.00 0.00 0.00 53.44 50.13 1v3f n ALA 82 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1v3f n ALA 82 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1v3f s ILE 83 N -2.48 2.75 -0.06 0.00 1.01 0.77 -5.02 121.20 118.17 1v3f s ILE 83 Ca 0.29 0.70 -0.10 0.00 0.00 0.00 0.00 60.65 61.53 1v3f s ILE 83 Cb 0.43 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1v3f s ILE 83 CO -0.00 0.15 0.26 -0.13 0.00 0.00 0.00 174.94 175.21 1v3f s ARG 84 N -1.24 0.44 -1.27 2.79 1.81 -1.26 -5.04 118.95 115.18 1v3f s ARG 84 Ca 0.52 0.08 -0.09 0.00 -1.72 0.00 0.00 55.73 54.53 1v3f s ARG 84 Cb -0.40 0.20 -0.11 0.00 -0.45 0.00 0.00 34.95 34.19 1v3f s ARG 84 CO 0.49 -0.09 2.92 0.43 -0.68 0.00 0.00 175.30 178.37 1v3f n SER 85 N 2.22 7.63 -0.07 0.23 7.64 -1.26 -4.40 113.62 125.61 1v3f n SER 85 Ca -0.17 -2.51 -0.07 0.00 1.01 0.00 0.00 58.87 57.13 1v3f n SER 85 Cb 0.57 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.27 1v3f n SER 85 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1v3f h GLY 86 N 6.87 0.00 -2.31 0.23 0.00 -2.00 -3.50 103.07 102.37 1v3f h GLY 86 Ca 0.71 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.83 1v3f h GLY 86 CO 1.49 0.00 -0.40 0.99 0.00 0.00 0.00 176.54 178.62 1v3f s ASP 87 N -5.90 0.33 0.18 0.19 1.01 -1.26 -5.05 116.67 106.18 1v3f s ASP 87 Ca -0.12 -1.31 -0.27 0.00 0.71 0.00 0.00 52.55 51.56 1v3f s ASP 87 Cb 0.01 0.50 0.02 0.00 1.01 0.00 0.00 42.92 44.46 1v3f s ASP 87 CO 0.26 -1.01 1.54 -0.11 0.21 0.00 0.00 175.17 176.05 1v3f n LEU 88 N -0.38 -0.93 0.00 1.23 -0.00 -1.26 -4.85 117.00 110.81 1v3f n LEU 88 Ca 0.01 1.76 0.07 0.00 -0.00 0.00 0.00 56.01 57.86 1v3f n LEU 88 Cb 0.64 -0.28 -0.02 0.00 -0.00 0.00 0.00 43.42 43.76 1v3f n LEU 88 CO 0.29 -1.48 -0.10 0.00 -0.00 0.00 0.00 177.39 176.11 1v3f n ALA 89 N -3.32 -2.17 -1.74 1.96 0.00 -1.26 -4.67 120.51 109.31 1v3f n ALA 89 Ca 0.04 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.68 1v3f n ALA 89 Cb 0.30 -0.68 0.04 0.00 0.00 0.00 0.00 19.45 19.12 1v3f n ALA 89 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1v3f n GLU 90 N -2.00 0.38 -1.51 0.00 0.28 -1.26 -4.73 120.64 111.79 1v3f n GLU 90 Ca 0.00 -1.48 -0.30 0.00 -0.16 0.00 0.00 57.16 55.22 1v3f n GLU 90 Cb 0.25 -0.79 -0.15 0.00 1.43 0.00 0.00 31.44 32.18 1v3f n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1v3f n GLN 91 N -0.41 0.22 -3.65 3.44 -0.00 -1.26 -4.74 117.38 110.97 1v3f n GLN 91 Ca 0.05 -0.11 0.02 0.00 -0.00 0.00 0.00 57.00 56.95 1v3f n GLN 91 Cb 0.69 -1.88 -0.06 0.00 -0.00 0.00 0.00 30.24 28.99 1v3f n GLN 91 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1v3f s PHE 92 N 7.00 -0.13 0.23 2.61 2.19 -1.26 -4.68 117.98 123.94 1v3f s PHE 92 Ca 1.24 0.26 0.06 0.00 0.33 0.00 0.00 56.93 58.81 1v3f s PHE 92 Cb -0.82 0.08 -0.03 0.00 -1.31 0.00 0.00 43.02 40.94 1v3f s PHE 92 CO 0.43 -0.06 0.26 -0.51 1.83 0.00 0.00 175.22 177.17 1v3f s LEU 93 N 1.08 4.04 -0.75 6.12 1.02 -1.26 -4.96 118.68 123.97 1v3f s LEU 93 Ca -0.08 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.01 1v3f s LEU 93 Cb -0.02 -2.58 0.22 0.00 0.02 0.00 0.00 46.19 43.82 1v3f s LEU 93 CO -0.10 -0.04 0.71 -0.67 0.02 0.00 0.00 176.35 176.27 1v3f n ASP 94 N -1.15 3.76 -3.46 2.29 2.03 -1.26 -4.58 116.55 114.18 1v3f n ASP 94 Ca -0.08 -3.30 -0.16 0.00 0.52 0.00 0.00 54.79 51.76 1v3f n ASP 94 Cb 0.57 -0.82 -0.07 0.00 -0.72 0.00 0.00 41.12 40.09 1v3f n ASP 94 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1v3f s ASP 95 N -1.63 1.14 -0.08 1.67 1.01 -1.26 -4.73 116.67 112.78 1v3f s ASP 95 Ca 0.31 -1.58 -0.25 0.00 0.71 0.00 0.00 52.55 51.74 1v3f s ASP 95 Cb 0.03 0.57 -0.21 0.00 1.01 0.00 0.00 42.92 44.32 1v3f s ASP 95 CO -0.09 -1.12 0.93 0.77 0.21 0.00 0.00 175.17 175.88 1v3f h SER 96 N 2.20 -0.04 -0.15 0.27 4.64 -1.96 -2.44 113.55 116.06 1v3f h SER 96 Ca -0.28 -0.64 0.03 0.00 -0.47 0.00 0.00 61.79 60.43 1v3f h SER 96 Cb 1.24 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 1v3f h SER 96 CO 0.39 0.67 -0.53 0.71 -0.87 0.00 0.00 176.83 177.20 1v3f h THR 97 N -0.80 0.01 -1.48 2.95 1.35 -2.00 -3.39 112.91 109.56 1v3f h THR 97 Ca -0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.20 1v3f h THR 97 Cb 0.68 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1v3f h THR 97 CO 0.01 0.00 1.28 0.00 -0.25 0.00 0.00 175.52 176.56 1v3f n ALA 98 N -3.01 0.93 -2.56 6.62 0.00 -1.25 -4.86 120.51 116.39 1v3f n ALA 98 Ca -0.06 0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 1v3f n ALA 98 Cb 0.38 -2.53 -0.09 0.00 0.00 0.00 0.00 19.45 17.20 1v3f n ALA 98 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1v3f s LEU 99 N 6.11 2.91 -0.03 0.00 2.96 -1.24 0.19 118.68 129.58 1v3f s LEU 99 Ca 1.03 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1v3f s LEU 99 Cb -0.79 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.32 1v3f s LEU 99 CO 0.51 0.10 0.11 -0.31 -1.32 0.00 0.00 176.35 175.43 1v3f s TYR 100 N -1.78 -0.08 0.46 5.38 1.51 -1.06 0.18 117.35 121.97 1v3f s TYR 100 Ca 0.25 0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.53 1v3f s TYR 100 Cb -0.08 0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.75 1v3f s TYR 100 CO 0.15 -0.09 0.03 -0.08 -1.11 0.00 0.00 175.55 174.45 1v3f s THR 101 N -0.21 1.21 -0.02 -0.71 -1.32 -0.10 -1.96 115.64 112.53 1v3f s THR 101 Ca -0.03 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.22 1v3f s THR 101 Cb -0.02 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 1v3f s THR 101 CO 0.00 0.00 0.72 -0.36 -2.21 0.00 0.00 174.62 172.77 1v3f s PHE 102 N -2.93 3.65 1.00 9.09 0.08 -1.26 0.75 117.98 128.35 1v3f s PHE 102 Ca 0.16 1.33 -0.16 0.00 0.12 0.00 0.00 56.93 58.38 1v3f s PHE 102 Cb 0.04 -2.79 0.20 0.00 -0.57 0.00 0.00 43.02 39.89 1v3f s PHE 102 CO 0.09 0.18 1.22 0.00 -0.10 0.00 0.00 175.22 176.60 1v3f s ALA 103 N 0.40 1.73 -0.25 5.36 0.00 -0.61 -4.77 121.76 123.62 1v3f s ALA 103 Ca 0.37 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1v3f s ALA 103 Cb -0.19 -2.87 0.06 0.00 0.00 0.00 0.00 23.12 20.12 1v3f s ALA 103 CO 0.20 -2.66 -0.10 -1.83 0.00 0.00 0.00 175.76 171.37 1v3f s GLU 104 N -5.61 2.15 -0.39 0.00 -1.05 -1.26 -4.78 118.70 107.76 1v3f s GLU 104 Ca 0.70 -1.23 0.07 0.00 -0.15 0.00 0.00 54.97 54.36 1v3f s GLU 104 Cb -0.08 -2.79 0.33 0.00 -0.44 0.00 0.00 34.13 31.14 1v3f s GLU 104 CO 0.54 -0.55 1.29 -1.13 0.95 0.00 0.00 175.26 176.36 1v3f n SER 105 N 4.50 -1.79 -2.77 0.83 3.41 -1.26 -5.07 113.62 111.47 1v3f n SER 105 Ca -0.14 -2.39 -0.03 0.00 -0.26 0.00 0.00 58.87 56.04 1v3f n SER 105 Cb 0.43 1.08 0.02 0.00 -0.26 0.00 0.00 64.21 65.48 1v3f n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1v3f n TYR 106 N -0.50 -1.39 -1.50 7.33 0.18 -1.26 -5.08 117.16 114.94 1v3f n TYR 106 Ca -0.07 -1.12 -0.53 0.00 1.88 0.00 0.00 57.90 58.06 1v3f n TYR 106 Cb 0.80 0.55 -0.07 0.00 -0.38 0.00 0.00 39.34 40.24 1v3f n TYR 106 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1v3f n LYS 107 N -0.55 1.06 -3.62 -3.48 2.85 -1.26 -4.86 118.16 108.30 1v3f n LYS 107 Ca -0.03 0.33 -0.07 0.00 -1.05 0.00 0.00 58.31 57.49 1v3f n LYS 107 Cb 0.47 -2.30 -0.02 0.00 -0.65 0.00 0.00 35.03 32.53 1v3f n LYS 107 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1v3f s LYS 108 N 5.46 1.10 -0.27 -1.58 2.20 -1.26 -5.14 119.74 120.26 1v3f s LYS 108 Ca 1.07 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 56.13 1v3f s LYS 108 Cb -0.96 0.44 0.02 0.00 -1.51 0.00 0.00 37.83 35.82 1v3f s LYS 108 CO 0.55 -0.49 -0.01 0.15 -0.36 0.00 0.00 175.35 175.18 1v3f s LYS 109 N -3.33 2.91 0.00 4.03 1.02 -1.26 -4.70 119.74 118.41 1v3f s LYS 109 Ca 0.08 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1v3f s LYS 109 Cb -0.02 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1v3f s LYS 109 CO -0.04 -0.42 0.00 1.55 -0.92 0.00 0.00 175.35 175.52 1v3f n VAL 110 N 4.74 0.00 -1.13 3.17 3.14 -1.26 -5.16 118.33 121.82 1v3f n VAL 110 Ca -0.16 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.36 1v3f n VAL 110 Cb 0.47 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.21 1v3f n VAL 110 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1v3f n SER 111 N -0.64 -6.05 -4.52 6.55 7.64 -1.26 -4.84 113.62 110.50 1v3f n SER 111 Ca 0.00 0.65 -0.33 0.00 1.01 0.00 0.00 58.87 60.20 1v3f n SER 111 Cb 0.00 -3.63 -0.12 0.00 -1.01 0.00 0.00 64.21 59.45 1v3f n SER 111 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v3f s SER 112 N -5.79 4.39 -0.28 6.43 0.15 -1.26 -5.04 113.70 112.29 1v3f s SER 112 Ca 0.00 -0.11 -0.37 0.00 0.70 0.00 0.00 55.95 56.16 1v3f s SER 112 Cb 0.00 -1.12 -0.13 0.00 -1.71 0.00 0.00 66.02 63.05 1v3f s SER 112 CO 0.00 0.33 1.96 1.17 1.20 0.00 0.00 173.24 177.90 1v3f n LYS 113 N 2.43 1.29 -2.67 5.44 4.81 -1.26 -4.81 118.16 123.39 1v3f n LYS 113 Ca -0.18 0.43 -0.03 0.00 -0.87 0.00 0.00 58.31 57.67 1v3f n LYS 113 Cb 0.53 -2.33 0.03 0.00 0.02 0.00 0.00 35.03 33.28 1v3f n LYS 113 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1v3f s GLU 114 N 4.77 0.13 0.25 1.64 -6.30 -1.26 -5.17 118.70 112.76 1v3f s GLU 114 Ca 1.02 -0.12 0.11 0.00 -2.50 0.00 0.00 54.97 53.48 1v3f s GLU 114 Cb -0.93 -0.00 -0.05 0.00 0.00 0.00 0.00 34.13 33.15 1v3f s GLU 114 CO 0.57 -0.17 -0.16 -1.12 0.02 0.00 0.00 175.26 174.40 1v3f s SER 115 N 1.09 3.82 0.92 -1.70 0.01 -1.26 -5.14 113.70 111.44 1v3f s SER 115 Ca 0.22 -0.87 -0.12 0.00 1.31 0.00 0.00 55.95 56.49 1v3f s SER 115 Cb 0.13 -0.44 0.14 0.00 0.21 0.00 0.00 66.02 66.06 1v3f s SER 115 CO -0.12 0.06 1.11 -0.83 0.41 0.00 0.00 173.24 173.87 1v3f s GLY 116 N -3.27 1.59 -1.10 3.44 0.00 -1.26 -4.88 107.32 101.84 1v3f s GLY 116 Ca 0.28 -0.34 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 1v3f s GLY 116 CO 0.15 0.21 2.07 -1.55 0.00 0.00 0.00 173.10 173.98 1v3f n PRO 117 N -3.87 2.14 -3.12 2.90 -0.04 -1.26 -4.61 135.00 127.14 1v3f n PRO 117 Ca 0.06 -2.19 -0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1v3f n PRO 117 Cb 0.57 -3.09 -0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1v3f n PRO 117 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v3f n SER 118 N 6.79 -6.75 -3.68 3.54 7.64 -1.26 -5.01 113.62 114.89 1v3f n SER 118 Ca 0.51 0.60 -0.06 0.00 1.01 0.00 0.00 58.87 60.93 1v3f n SER 118 Cb 0.39 -1.95 -0.02 0.00 -1.01 0.00 0.00 64.21 61.63 1v3f n SER 118 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v3f s SER 119 N -0.87 -0.29 0.00 6.43 0.15 -1.26 -5.31 113.70 112.55 1v3f s SER 119 Ca -0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1v3f s SER 119 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1v3f s SER 119 CO 0.08 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.20