#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pi2 n ASP 3 N 0.00 0.00 -3.36 -1.34 2.03 -1.26 -5.06 116.55 107.56 2pi2 n ASP 3 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 2pi2 n ASP 3 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2pi2 n ASP 3 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2pi2 n MET 4 N -1.08 3.49 0.04 -0.67 0.00 -1.26 -4.62 117.12 113.03 2pi2 n MET 4 Ca 0.00 -4.73 0.12 0.00 0.00 0.00 0.00 57.70 53.09 2pi2 n MET 4 Cb 0.00 -2.32 0.48 0.00 0.00 0.00 0.00 33.22 31.38 2pi2 n MET 4 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2pi2 n MET 5 N 0.39 0.08 -0.37 3.17 0.00 -1.26 -2.85 117.12 116.29 2pi2 n MET 5 Ca 0.32 0.17 0.08 0.00 0.00 0.00 0.00 57.70 58.27 2pi2 n MET 5 Cb 0.37 -1.62 0.25 0.00 0.00 0.00 0.00 33.22 32.22 2pi2 n MET 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2pi2 n ASP 6 N -1.77 3.26 -4.34 6.12 8.00 -1.26 -4.93 116.55 121.63 2pi2 n ASP 6 Ca 0.05 -2.17 -0.21 0.00 0.71 0.00 0.00 54.79 53.17 2pi2 n ASP 6 Cb 0.30 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 2pi2 n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pi2 s LEU 7 N -1.25 2.46 0.38 0.64 1.43 -1.13 -5.12 118.68 116.09 2pi2 s LEU 7 Ca 0.37 -0.89 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 2pi2 s LEU 7 Cb 0.22 -0.82 -0.09 0.00 0.03 0.00 0.00 46.19 45.52 2pi2 s LEU 7 CO 0.21 -0.05 1.32 -2.84 0.23 0.00 0.00 176.35 175.23 2pi2 s PRO 8 N -2.92 4.10 -0.13 1.29 0.02 -1.26 -5.02 135.00 131.07 2pi2 s PRO 8 Ca 0.17 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.43 2pi2 s PRO 8 Cb -0.05 -2.87 0.02 0.00 0.02 0.00 0.00 34.50 31.61 2pi2 s PRO 8 CO 0.07 -0.41 -0.17 1.03 -0.33 0.00 0.00 177.00 177.19 2pi2 s ARG 9 N -2.09 2.47 0.00 5.54 0.52 -1.26 -4.70 118.95 119.43 2pi2 s ARG 9 Ca 0.54 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.80 2pi2 s ARG 9 Cb -0.40 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 2pi2 s ARG 9 CO 0.52 -0.10 1.07 -1.12 0.02 0.00 0.00 175.30 175.68 2pi2 s SER 10 N 1.08 7.24 -0.32 0.23 0.01 -0.90 -4.56 113.70 116.48 2pi2 s SER 10 Ca -0.03 1.76 -0.29 0.00 1.31 0.00 0.00 55.95 58.70 2pi2 s SER 10 Cb -0.14 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.52 2pi2 s SER 10 CO -0.04 -0.37 1.25 -0.13 0.41 0.00 0.00 173.24 174.35 2pi2 s ARG 11 N 1.23 3.92 0.32 12.44 0.52 -1.26 -0.02 118.95 136.10 2pi2 s ARG 11 Ca 0.54 1.16 0.04 0.00 -0.52 0.00 0.00 55.73 56.95 2pi2 s ARG 11 Cb -0.24 -3.86 -0.06 0.00 0.52 0.00 0.00 34.95 31.32 2pi2 s ARG 11 CO 0.27 -1.10 0.03 0.96 0.02 0.00 0.00 175.30 175.47 2pi2 s ILE 12 N 4.26 1.32 0.54 1.52 -4.36 -0.84 -4.92 121.20 118.72 2pi2 s ILE 12 Ca 0.54 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 2pi2 s ILE 12 Cb -0.15 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 40.86 2pi2 s ILE 12 CO 0.22 -0.08 0.15 0.54 0.24 0.00 0.00 174.94 176.01 2pi2 s ASN 13 N -3.48 4.33 0.39 4.36 2.20 -1.26 -4.44 114.94 117.03 2pi2 s ASN 13 Ca 0.35 -1.56 0.08 0.00 -0.94 0.00 0.00 52.86 50.79 2pi2 s ASN 13 Cb 0.08 0.63 0.79 0.00 -2.00 0.00 0.00 41.25 40.75 2pi2 s ASN 13 CO 0.15 -1.01 1.94 0.00 -2.94 0.00 0.00 177.10 175.24 2pi2 h ALA 14 N 1.07 1.54 0.00 3.54 0.00 -1.90 -0.94 119.26 122.57 2pi2 h ALA 14 Ca -0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2pi2 h ALA 14 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2pi2 h ALA 14 CO 0.67 0.33 0.00 0.78 0.00 0.00 0.00 179.25 181.04 2pi2 h GLY 15 N 0.68 0.00 0.33 0.00 0.00 -1.94 -2.63 103.07 99.50 2pi2 h GLY 15 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2pi2 h GLY 15 CO 0.01 0.00 -0.86 1.03 0.00 0.00 0.00 176.54 176.72 2pi2 n MET 16 N -2.30 0.02 -0.17 4.80 2.81 -0.36 -4.59 117.12 117.33 2pi2 n MET 16 Ca 0.00 -0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 2pi2 n MET 16 Cb 0.15 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.23 2pi2 n MET 16 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2pi2 h LEU 17 N 0.00 0.18 -2.21 4.03 3.38 -1.50 -0.65 115.31 118.54 2pi2 h LEU 17 Ca 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2pi2 h LEU 17 Cb 0.51 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2pi2 h LEU 17 CO 0.00 0.13 -0.06 0.00 0.09 0.00 0.00 178.44 178.60 2pi2 h ALA 18 N 1.35 1.40 -0.01 1.53 0.00 -1.81 -2.31 119.26 119.42 2pi2 h ALA 18 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pi2 h ALA 18 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pi2 h ALA 18 CO -0.26 0.07 -0.20 1.04 0.00 0.00 0.00 179.25 179.90 2pi2 n GLN 19 N -3.74 1.37 -0.50 0.00 3.00 -0.28 -4.21 117.38 113.01 2pi2 n GLN 19 Ca -0.02 -0.95 0.07 0.00 -0.01 0.00 0.00 57.00 56.08 2pi2 n GLN 19 Cb 0.16 -1.48 0.17 0.00 0.00 0.00 0.00 30.24 29.09 2pi2 n GLN 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2pi2 n PHE 20 N 0.01 0.00 -1.70 1.08 3.01 -0.87 -5.06 117.46 113.93 2pi2 n PHE 20 Ca 0.14 -1.24 -0.44 0.00 1.01 0.00 0.00 57.45 56.91 2pi2 n PHE 20 Cb 0.42 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 2pi2 n PHE 20 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2pi2 n ILE 21 N -1.07 0.52 -1.10 4.37 5.41 -1.21 -1.37 119.36 124.91 2pi2 n ILE 21 Ca 0.17 -0.13 -0.03 0.00 1.00 0.00 0.00 62.75 63.75 2pi2 n ILE 21 Cb 0.71 -1.75 -0.01 0.00 -0.71 0.00 0.00 39.64 37.87 2pi2 n ILE 21 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pi2 n ASP 22 N 2.88 -5.01 -4.89 4.38 2.03 0.74 -4.95 116.55 111.73 2pi2 n ASP 22 Ca 0.13 0.08 -0.31 0.00 0.52 0.00 0.00 54.79 55.21 2pi2 n ASP 22 Cb 0.33 -2.80 -0.05 0.00 -0.72 0.00 0.00 41.12 37.88 2pi2 n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2pi2 s LYS 23 N -1.81 3.32 0.19 -0.67 -0.14 -0.47 -4.80 119.74 115.36 2pi2 s LYS 23 Ca 0.00 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 2pi2 s LYS 23 Cb 0.00 -2.97 -0.08 0.00 -1.68 0.00 0.00 37.83 33.10 2pi2 s LYS 23 CO 0.00 0.60 1.23 -2.14 -0.76 0.00 0.00 175.35 174.28 2pi2 s PRO 24 N -2.46 4.46 0.14 -1.68 0.02 -1.26 -1.83 135.00 132.39 2pi2 s PRO 24 Ca 0.33 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.30 2pi2 s PRO 24 Cb -0.13 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 2pi2 s PRO 24 CO 0.26 -0.14 -0.01 0.14 -0.33 0.00 0.00 177.00 176.93 2pi2 s VAL 25 N -0.01 0.55 -0.19 3.83 -7.23 0.27 -2.12 120.40 115.52 2pi2 s VAL 25 Ca 0.54 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2pi2 s VAL 25 Cb -0.34 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 34.67 2pi2 s VAL 25 CO 0.37 -0.59 -0.07 0.00 -0.31 0.00 0.00 175.10 174.50 2pi2 s PHE 27 N 1.52 2.98 -0.20 0.00 5.36 -0.00 -1.99 117.98 125.63 2pi2 s PHE 27 Ca -0.01 -1.50 -0.08 0.00 -0.96 0.00 0.00 56.93 54.38 2pi2 s PHE 27 Cb -0.16 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 2pi2 s PHE 27 CO -0.08 -0.72 0.09 0.08 -1.46 0.00 0.00 175.22 173.13 2pi2 s VAL 28 N 1.33 4.94 0.35 3.12 1.01 -1.26 -0.76 120.40 129.13 2pi2 s VAL 28 Ca 0.02 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 2pi2 s VAL 28 Cb -0.15 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.01 2pi2 s VAL 28 CO -0.07 0.42 0.75 -0.83 0.00 0.00 0.00 175.10 175.38 2pi2 s GLY 29 N 0.66 0.24 -0.12 4.51 0.00 -0.59 -4.63 107.32 107.40 2pi2 s GLY 29 Ca 0.05 -0.62 -0.16 0.00 0.00 0.00 0.00 44.72 43.99 2pi2 s GLY 29 CO 0.01 -0.26 0.39 -1.60 0.00 0.00 0.00 173.10 171.64 2pi2 s ARG 30 N -2.91 4.23 -0.11 2.90 3.52 0.14 -0.86 118.95 125.86 2pi2 s ARG 30 Ca 0.14 0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.75 2pi2 s ARG 30 Cb -0.05 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 2pi2 s ARG 30 CO 0.10 0.28 1.91 -1.17 -0.81 0.00 0.00 175.30 175.62 2pi2 s LEU 31 N 0.27 4.01 -0.22 -0.88 2.96 0.40 -0.20 118.68 125.01 2pi2 s LEU 31 Ca 0.22 2.13 -0.16 0.00 -0.22 0.00 0.00 54.13 56.10 2pi2 s LEU 31 Cb -0.14 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.91 2pi2 s LEU 31 CO 0.08 -1.35 -0.23 -0.62 -1.32 0.00 0.00 176.35 172.92 2pi2 n GLU 32 N 7.87 0.55 -3.89 1.98 -0.58 0.50 -4.70 120.64 122.36 2pi2 n GLU 32 Ca 0.22 0.34 -0.11 0.00 -0.42 0.00 0.00 57.16 57.19 2pi2 n GLU 32 Cb 0.43 -1.55 -0.10 0.00 -0.57 0.00 0.00 31.44 29.65 2pi2 n GLU 32 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2pi2 s LYS 33 N -2.56 0.41 -0.05 3.49 1.02 -1.20 -4.99 119.74 115.87 2pi2 s LYS 33 Ca -0.31 -0.41 0.06 0.00 0.02 0.00 0.00 55.97 55.33 2pi2 s LYS 33 Cb 0.09 0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.56 2pi2 s LYS 33 CO 0.46 -0.09 -0.22 0.42 -0.92 0.00 0.00 175.35 175.00 2pi2 s ILE 34 N -1.28 1.79 0.44 2.17 1.01 -1.26 -0.74 121.20 123.32 2pi2 s ILE 34 Ca -0.14 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.33 2pi2 s ILE 34 Cb -0.08 -1.52 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 2pi2 s ILE 34 CO 0.01 0.50 1.45 -2.28 0.00 0.00 0.00 174.94 174.62 2pi2 s HIS 35 N -0.13 2.45 0.44 3.97 5.65 -0.42 -4.91 115.29 122.34 2pi2 s HIS 35 Ca -0.02 1.24 0.21 0.00 0.25 0.00 0.00 55.06 56.73 2pi2 s HIS 35 Cb -0.12 -3.96 1.18 0.00 -1.18 0.00 0.00 32.58 28.50 2pi2 s HIS 35 CO 0.03 -3.01 1.84 -1.35 -0.65 0.00 0.00 174.74 171.59 2pi2 h PRO 36 N 2.41 0.30 -0.45 2.88 0.11 -2.00 -0.37 132.00 134.89 2pi2 h PRO 36 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2pi2 h PRO 36 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pi2 h PRO 36 CO 0.61 0.20 0.00 0.25 -0.21 0.00 0.00 178.00 178.86 2pi2 n THR 37 N -4.48 0.91 -1.48 -1.15 -2.24 -1.26 -4.98 114.28 99.60 2pi2 n THR 37 Ca 0.21 -0.96 -0.03 0.00 -2.27 0.00 0.00 64.05 61.01 2pi2 n THR 37 Cb 0.81 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 2pi2 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pi2 n GLY 38 N 0.92 0.45 0.21 3.38 0.00 -0.15 -4.50 105.19 105.50 2pi2 n GLY 38 Ca 0.16 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.44 2pi2 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pi2 h LYS 39 N 0.00 0.00 -1.88 1.61 1.57 -1.94 0.41 116.57 116.34 2pi2 h LYS 39 Ca -0.06 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2pi2 h LYS 39 Cb 0.53 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.65 2pi2 h LYS 39 CO 0.08 0.00 0.54 1.41 -0.57 0.00 0.00 179.45 180.91 2pi2 s MET 40 N -3.42 0.68 0.18 3.15 0.00 -1.26 -1.67 119.30 116.96 2pi2 s MET 40 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 55.69 55.58 2pi2 s MET 40 Cb 0.08 0.32 -0.01 0.00 0.00 0.00 0.00 34.83 35.22 2pi2 s MET 40 CO 0.55 -0.26 0.29 -0.59 0.00 0.00 0.00 175.02 175.01 2pi2 s PHE 41 N -2.10 0.50 -0.13 4.11 -0.12 -0.15 -1.30 117.98 118.79 2pi2 s PHE 41 Ca 0.02 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.06 2pi2 s PHE 41 Cb -0.01 -0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2pi2 s PHE 41 CO -0.03 -0.75 -0.16 0.42 -0.05 0.00 0.00 175.22 174.64 2pi2 s ILE 42 N -4.00 2.72 0.01 -4.49 -1.09 0.08 -0.59 121.20 113.83 2pi2 s ILE 42 Ca 0.21 -0.77 0.04 0.00 -2.23 0.00 0.00 60.65 57.90 2pi2 s ILE 42 Cb 0.03 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.75 2pi2 s ILE 42 CO 0.03 0.53 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.43 2pi2 s LEU 43 N 0.51 3.08 -0.19 2.97 1.43 -0.72 -0.37 118.68 125.39 2pi2 s LEU 43 Ca -0.11 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2pi2 s LEU 43 Cb -0.16 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2pi2 s LEU 43 CO 0.04 0.28 0.04 -0.55 0.23 0.00 0.00 176.35 176.39 2pi2 s SER 44 N -1.43 5.30 0.94 2.29 0.15 0.72 -0.40 113.70 121.28 2pi2 s SER 44 Ca 0.17 -0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.65 2pi2 s SER 44 Cb -0.11 -1.91 0.19 0.00 -1.71 0.00 0.00 66.02 62.48 2pi2 s SER 44 CO 0.07 0.12 1.15 -0.90 1.20 0.00 0.00 173.24 174.88 2pi2 n ASP 45 N 3.90 0.33 0.14 5.45 5.68 0.40 0.28 116.55 132.74 2pi2 n ASP 45 Ca -0.17 -1.56 0.11 0.00 -0.50 0.00 0.00 54.79 52.68 2pi2 n ASP 45 Cb 0.52 -0.85 0.53 0.00 -1.14 0.00 0.00 41.12 40.17 2pi2 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pi2 n GLY 46 N -2.70 -1.11 1.18 6.12 0.00 -1.26 -1.11 105.19 106.30 2pi2 n GLY 46 Ca 0.15 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.38 2pi2 n GLY 46 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pi2 n GLU 47 N -2.25 3.49 -1.13 1.61 0.28 -1.26 -4.36 120.64 117.03 2pi2 n GLU 47 Ca 0.01 -2.94 -0.05 0.00 -0.16 0.00 0.00 57.16 54.02 2pi2 n GLU 47 Cb 0.15 -1.97 -0.02 0.00 1.43 0.00 0.00 31.44 31.03 2pi2 n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pi2 n GLY 48 N -0.19 0.73 3.84 -1.84 0.00 -0.27 -5.03 105.19 102.43 2pi2 n GLY 48 Ca 0.23 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2pi2 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pi2 s LYS 49 N -2.28 3.28 0.01 1.61 -0.14 -1.26 -4.78 119.74 116.17 2pi2 s LYS 49 Ca 0.00 -0.35 -0.18 0.00 -1.36 0.00 0.00 55.97 54.08 2pi2 s LYS 49 Cb 0.00 -3.01 -0.06 0.00 -1.68 0.00 0.00 37.83 33.08 2pi2 s LYS 49 CO 0.00 0.69 0.52 -0.80 -0.76 0.00 0.00 175.35 175.00 2pi2 s ASN 50 N -1.63 6.92 -0.07 2.83 0.01 -1.26 -0.45 114.94 121.30 2pi2 s ASN 50 Ca 0.22 1.10 0.03 0.00 -0.71 0.00 0.00 52.86 53.50 2pi2 s ASN 50 Cb -0.12 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 2pi2 s ASN 50 CO 0.13 0.21 -0.15 -0.83 -1.51 0.00 0.00 177.10 174.95 2pi2 s GLY 51 N -0.64 1.50 -0.20 0.66 0.00 0.47 -4.89 107.32 104.23 2pi2 s GLY 51 Ca 0.28 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 43.82 2pi2 s GLY 51 CO 0.16 -0.63 0.63 -1.59 0.00 0.00 0.00 173.10 171.67 2pi2 s THR 52 N -0.43 5.02 -0.33 0.90 2.01 -1.26 -1.76 115.64 119.79 2pi2 s THR 52 Ca 0.05 1.19 -0.09 0.00 0.31 0.00 0.00 61.69 63.15 2pi2 s THR 52 Cb -0.12 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2pi2 s THR 52 CO 0.02 0.11 0.14 -0.63 -0.69 0.00 0.00 174.62 173.57 2pi2 s ILE 53 N 1.91 4.28 -0.09 1.82 -1.09 0.24 -1.10 121.20 127.17 2pi2 s ILE 53 Ca 0.29 -0.77 -0.15 0.00 -2.23 0.00 0.00 60.65 57.79 2pi2 s ILE 53 Cb -0.16 -3.30 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 2pi2 s ILE 53 CO 0.10 -0.08 0.39 -1.61 -1.23 0.00 0.00 174.94 172.52 2pi2 s GLU 54 N 1.53 4.16 -0.14 2.79 2.02 0.88 -0.97 118.70 128.97 2pi2 s GLU 54 Ca 0.02 0.31 -0.10 0.00 0.02 0.00 0.00 54.97 55.22 2pi2 s GLU 54 Cb -0.18 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 2pi2 s GLU 54 CO 0.05 0.36 0.20 -0.51 0.02 0.00 0.00 175.26 175.38 2pi2 s LEU 55 N 0.00 4.32 -0.00 1.80 1.43 -0.67 0.14 118.68 125.70 2pi2 s LEU 55 Ca 0.22 0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.54 2pi2 s LEU 55 Cb -0.15 -2.20 -0.18 0.00 0.03 0.00 0.00 46.19 43.70 2pi2 s LEU 55 CO 0.09 0.27 1.26 -0.03 0.23 0.00 0.00 176.35 178.17 2pi2 h MET 56 N 5.75 -0.18 -4.94 1.70 1.85 -1.84 -3.41 114.93 113.86 2pi2 h MET 56 Ca -0.48 0.01 -0.67 0.00 -0.61 0.00 0.00 59.70 57.96 2pi2 h MET 56 Cb 1.19 0.04 -0.30 0.00 0.43 0.00 0.00 31.60 32.97 2pi2 h MET 56 CO 0.67 0.19 -0.73 -1.21 -0.40 0.00 0.00 176.91 175.43 2pi2 s GLU 57 N -4.51 3.08 0.49 0.39 2.02 -1.26 -5.11 118.70 113.81 2pi2 s GLU 57 Ca -0.15 -0.82 -0.20 0.00 0.02 0.00 0.00 54.97 53.83 2pi2 s GLU 57 Cb 0.02 -3.00 -0.11 0.00 0.10 0.00 0.00 34.13 31.14 2pi2 s GLU 57 CO 0.60 -0.31 0.49 -2.30 0.02 0.00 0.00 175.26 173.76 2pi2 n PRO 58 N 4.74 0.52 -1.65 0.39 -0.02 -1.26 -4.83 135.00 132.89 2pi2 n PRO 58 Ca -0.17 0.20 -0.46 0.00 -2.02 0.00 0.00 63.50 61.05 2pi2 n PRO 58 Cb 0.49 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 2pi2 n PRO 58 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pi2 n LEU 59 N 1.02 2.69 0.10 2.45 4.77 0.13 -4.91 117.00 123.25 2pi2 n LEU 59 Ca 0.11 1.14 -0.02 0.00 -0.03 0.00 0.00 56.01 57.22 2pi2 n LEU 59 Cb 0.44 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 2pi2 n LEU 59 CO 0.53 -0.70 0.28 0.44 -1.33 0.00 0.00 177.39 176.60 2pi2 h ASP 60 N 3.97 0.00 -5.22 -1.43 3.32 -1.92 -3.45 116.42 111.69 2pi2 h ASP 60 Ca -0.44 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 2pi2 h ASP 60 Cb 1.29 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.74 2pi2 h ASP 60 CO 0.74 0.72 -0.14 -1.83 -1.72 0.00 0.00 179.24 177.01 2pi2 s GLU 61 N -2.85 1.43 0.12 3.56 -1.05 -1.26 -5.14 118.70 113.51 2pi2 s GLU 61 Ca 0.02 -1.17 -0.31 0.00 -0.15 0.00 0.00 54.97 53.36 2pi2 s GLU 61 Cb 0.09 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 34.15 2pi2 s GLU 61 CO 0.78 -0.59 1.42 -2.00 0.95 0.00 0.00 175.26 175.83 2pi2 s GLU 62 N -3.98 4.30 0.27 -4.83 2.56 -1.26 -5.03 118.70 110.73 2pi2 s GLU 62 Ca 0.19 2.12 0.09 0.00 0.00 0.00 0.00 54.97 57.37 2pi2 s GLU 62 Cb 0.00 -3.24 -0.04 0.00 2.00 0.00 0.00 34.13 32.85 2pi2 s GLU 62 CO 0.05 -0.47 0.07 0.96 -0.56 0.00 0.00 175.26 175.31 2pi2 s ILE 63 N 1.16 3.66 0.13 -3.70 -4.36 -1.26 -5.14 121.20 111.69 2pi2 s ILE 63 Ca 0.66 -1.74 -0.16 0.00 -0.26 0.00 0.00 60.65 59.14 2pi2 s ILE 63 Cb -0.38 -3.02 0.04 0.00 1.25 0.00 0.00 42.46 40.35 2pi2 s ILE 63 CO 0.30 -0.34 0.41 -0.55 0.24 0.00 0.00 174.94 175.00 2pi2 s SER 64 N -3.75 -0.25 0.64 4.36 0.15 -1.26 -5.03 113.70 108.56 2pi2 s SER 64 Ca 0.33 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2pi2 s SER 64 Cb -0.06 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2pi2 s SER 64 CO 0.22 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2pi2 n GLY 65 N -0.23 0.93 3.67 9.45 0.00 -1.26 -4.66 105.19 113.09 2pi2 n GLY 65 Ca -0.16 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 2pi2 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pi2 s ILE 66 N 0.00 5.10 -0.04 -0.61 -1.09 -1.26 -0.45 121.20 122.84 2pi2 s ILE 66 Ca 0.00 1.03 0.05 0.00 -2.23 0.00 0.00 60.65 59.50 2pi2 s ILE 66 Cb 0.00 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 2pi2 s ILE 66 CO 0.00 0.19 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.03 2pi2 s VAL 67 N 1.49 1.48 -0.24 2.92 1.01 -0.04 -0.09 120.40 126.93 2pi2 s VAL 67 Ca 0.26 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2pi2 s VAL 67 Cb -0.16 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2pi2 s VAL 67 CO 0.10 0.42 0.04 -0.70 0.00 0.00 0.00 175.10 174.96 2pi2 s GLU 68 N -0.07 3.53 -0.14 2.72 2.12 0.15 -1.54 118.70 125.47 2pi2 s GLU 68 Ca -0.02 -0.55 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 2pi2 s GLU 68 Cb -0.11 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 2pi2 s GLU 68 CO 0.02 -0.21 -0.04 0.08 -0.54 0.00 0.00 175.26 174.57 2pi2 s VAL 69 N 1.56 3.90 -0.16 3.70 1.01 0.06 -0.52 120.40 129.96 2pi2 s VAL 69 Ca 0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 2pi2 s VAL 69 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2pi2 s VAL 69 CO 0.01 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 174.91 2pi2 s VAL 70 N 0.18 4.05 0.02 2.92 1.01 0.46 -0.82 120.40 128.21 2pi2 s VAL 70 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2pi2 s VAL 70 Cb -0.14 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.47 2pi2 s VAL 70 CO 0.03 0.49 0.11 0.61 0.00 0.00 0.00 175.10 176.34 2pi2 n GLY 71 N 3.50 1.28 3.45 4.51 0.00 -0.88 -0.62 105.19 116.43 2pi2 n GLY 71 Ca -0.17 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 2pi2 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pi2 s ARG 72 N -2.01 3.16 0.10 1.61 3.52 -0.93 -0.56 118.95 123.84 2pi2 s ARG 72 Ca 0.03 -0.63 -0.31 0.00 -0.13 0.00 0.00 55.73 54.68 2pi2 s ARG 72 Cb -0.00 -2.63 -0.08 0.00 -1.56 0.00 0.00 34.95 30.68 2pi2 s ARG 72 CO 0.01 0.38 1.54 0.08 -0.81 0.00 0.00 175.30 176.49 2pi2 s VAL 73 N -0.06 3.06 0.77 7.11 1.01 -0.76 -0.94 120.40 130.60 2pi2 s VAL 73 Ca -0.01 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2pi2 s VAL 73 Cb -0.14 -3.41 0.10 0.00 0.00 0.00 0.00 36.38 32.93 2pi2 s VAL 73 CO 0.03 0.02 1.10 0.42 0.00 0.00 0.00 175.10 176.67 2pi2 s THR 74 N 1.87 2.16 0.54 3.92 -4.23 0.55 -0.18 115.64 120.27 2pi2 s THR 74 Ca 0.70 -0.24 0.24 0.00 -1.18 0.00 0.00 61.69 61.20 2pi2 s THR 74 Cb -0.39 -2.93 0.36 0.00 1.34 0.00 0.00 72.50 70.88 2pi2 s THR 74 CO 0.31 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.43 2pi2 h ALA 75 N -0.87 2.28 -0.36 3.99 0.00 -1.95 -1.77 119.26 120.60 2pi2 h ALA 75 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2pi2 h ALA 75 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2pi2 h ALA 75 CO 0.53 -0.45 0.00 1.63 0.00 0.00 0.00 179.25 180.96 2pi2 n LYS 76 N -4.33 2.58 -3.14 0.00 5.02 -1.26 -4.91 118.16 112.12 2pi2 n LYS 76 Ca 0.06 -1.60 -0.22 0.00 -2.02 0.00 0.00 58.31 54.53 2pi2 n LYS 76 Cb 0.45 -1.64 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2pi2 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pi2 n ALA 77 N 0.50 -1.01 -2.16 7.82 0.00 -0.66 -5.02 120.51 119.98 2pi2 n ALA 77 Ca 0.14 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 2pi2 n ALA 77 Cb 0.57 -3.34 0.03 0.00 0.00 0.00 0.00 19.45 16.71 2pi2 n ALA 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2pi2 s THR 78 N -3.06 2.08 -0.17 0.00 -4.23 -1.26 -4.73 115.64 104.27 2pi2 s THR 78 Ca 0.33 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2pi2 s THR 78 Cb -0.16 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 2pi2 s THR 78 CO 0.41 0.00 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.75 2pi2 s ILE 79 N -2.67 3.00 -0.61 2.99 1.01 -0.26 -0.33 121.20 124.34 2pi2 s ILE 79 Ca 0.52 -0.65 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 2pi2 s ILE 79 Cb -0.05 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.16 2pi2 s ILE 79 CO 0.32 0.49 1.04 -0.22 0.00 0.00 0.00 174.94 176.57 2pi2 s LEU 80 N 0.95 3.93 -0.09 2.97 2.96 -0.11 -0.08 118.68 129.21 2pi2 s LEU 80 Ca -0.02 -0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 53.17 2pi2 s LEU 80 Cb -0.15 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 2pi2 s LEU 80 CO -0.01 -1.42 0.83 0.00 -1.32 0.00 0.00 176.35 174.43 2pi2 n THR 82 N 4.19 0.19 -3.57 0.00 -2.24 0.21 -2.85 114.28 110.21 2pi2 n THR 82 Ca 0.03 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2pi2 n THR 82 Cb 0.50 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 2pi2 n THR 82 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pi2 s SER 83 N -4.17 -0.35 0.07 3.42 1.04 -1.07 -4.98 113.70 107.66 2pi2 s SER 83 Ca -0.07 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.02 2pi2 s SER 83 Cb 0.10 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.76 2pi2 s SER 83 CO 0.71 -0.90 0.27 -0.72 0.98 0.00 0.00 173.24 173.58 2pi2 s TYR 84 N -3.79 -0.02 -0.04 5.02 -0.85 -1.26 -0.40 117.35 116.01 2pi2 s TYR 84 Ca 0.03 -0.25 0.01 0.00 -0.52 0.00 0.00 57.07 56.34 2pi2 s TYR 84 Cb 0.01 0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.42 2pi2 s TYR 84 CO -0.12 -0.54 -0.05 0.08 -1.52 0.00 0.00 175.55 173.40 2pi2 s VAL 85 N -3.17 0.53 -0.08 -3.49 1.01 0.32 -4.97 120.40 110.56 2pi2 s VAL 85 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 2pi2 s VAL 85 Cb 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2pi2 s VAL 85 CO -0.07 0.22 0.75 -1.10 0.00 0.00 0.00 175.10 174.89 2pi2 s GLN 86 N 0.78 4.42 0.05 2.72 -0.21 -1.26 0.29 119.66 126.45 2pi2 s GLN 86 Ca -0.10 0.95 -0.30 0.00 0.02 0.00 0.00 55.36 55.92 2pi2 s GLN 86 Cb -0.13 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.35 2pi2 s GLN 86 CO 0.00 -0.02 1.15 -0.06 -2.12 0.00 0.00 175.29 174.24 2pi2 s PHE 87 N 1.07 3.49 -0.04 0.91 0.40 0.88 -4.97 117.98 119.72 2pi2 s PHE 87 Ca 0.39 1.39 -0.30 0.00 -0.60 0.00 0.00 56.93 57.81 2pi2 s PHE 87 Cb -0.18 -3.35 -0.05 0.00 0.51 0.00 0.00 43.02 39.94 2pi2 s PHE 87 CO 0.18 -1.00 1.57 0.15 0.70 0.00 0.00 175.22 176.83 2pi2 s LYS 88 N 1.00 4.21 -0.44 0.44 -0.14 -1.26 -4.60 119.74 118.94 2pi2 s LYS 88 Ca 0.57 2.12 0.06 0.00 -1.36 0.00 0.00 55.97 57.36 2pi2 s LYS 88 Cb -0.28 -3.84 0.42 0.00 -1.68 0.00 0.00 37.83 32.45 2pi2 s LYS 88 CO 0.29 -0.77 1.09 0.39 -0.76 0.00 0.00 175.35 175.59 2pi2 n GLU 89 N 6.58 3.20 0.00 1.68 1.02 -1.26 -4.86 120.64 127.00 2pi2 n GLU 89 Ca 0.16 -4.41 0.00 0.00 -0.02 0.00 0.00 57.16 52.89 2pi2 n GLU 89 Cb 0.43 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 2pi2 n GLU 89 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2pi2 n ASP 90 N -0.43 0.00 0.00 1.62 8.00 -1.26 -4.07 116.55 120.41 2pi2 n ASP 90 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2pi2 n ASP 90 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2pi2 n ASP 90 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2pi2 n SER 91 N 0.00 0.00 -3.61 -2.24 2.88 -1.26 -4.80 113.62 104.59 2pi2 n SER 91 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2pi2 n SER 91 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2pi2 n SER 91 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2pi2 s HIS 92 N 0.00 0.03 0.30 0.66 3.76 -1.26 -5.12 115.29 113.67 2pi2 s HIS 92 Ca 0.00 0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.67 2pi2 s HIS 92 Cb 0.00 -0.52 -0.10 0.00 1.11 0.00 0.00 32.58 33.06 2pi2 s HIS 92 CO 0.00 -0.42 1.39 -2.14 -0.85 0.00 0.00 174.74 172.73 2pi2 s PRO 93 N 2.20 4.28 0.01 8.40 0.02 -1.26 -4.56 135.00 144.08 2pi2 s PRO 93 Ca 0.04 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 2pi2 s PRO 93 Cb -0.14 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 2pi2 s PRO 93 CO -0.08 -0.34 1.25 0.12 -0.33 0.00 0.00 177.00 177.62 2pi2 s PHE 94 N -0.66 3.22 -0.79 6.54 5.36 -1.26 -4.98 117.98 125.41 2pi2 s PHE 94 Ca 0.54 1.16 -0.24 0.00 -0.96 0.00 0.00 56.93 57.43 2pi2 s PHE 94 Cb -0.42 -3.48 0.06 0.00 -0.34 0.00 0.00 43.02 38.85 2pi2 s PHE 94 CO 0.51 -1.56 1.18 0.34 -1.46 0.00 0.00 175.22 174.22 2pi2 s ASP 95 N 1.39 6.29 0.31 6.13 -1.08 -1.26 -4.86 116.67 123.59 2pi2 s ASP 95 Ca 0.59 -1.04 0.16 0.00 -0.52 0.00 0.00 52.55 51.74 2pi2 s ASP 95 Cb -0.28 -2.49 0.33 0.00 -1.46 0.00 0.00 42.92 39.02 2pi2 s ASP 95 CO 0.26 -1.54 1.57 0.25 0.52 0.00 0.00 175.17 176.23 2pi2 h LEU 96 N 12.04 0.00 -0.65 -1.34 5.85 -1.95 -2.32 115.31 126.95 2pi2 h LEU 96 Ca -0.14 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 2pi2 h LEU 96 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2pi2 h LEU 96 CO 1.25 0.49 -0.35 1.23 -0.34 0.00 0.00 178.44 180.72 2pi2 h GLY 97 N 2.75 0.73 0.93 3.75 0.00 -1.89 -1.28 103.07 108.06 2pi2 h GLY 97 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 2pi2 h GLY 97 CO 0.06 0.63 -0.29 -2.00 0.00 0.00 0.00 176.54 174.95 2pi2 h LEU 98 N 0.56 0.68 -0.69 3.11 5.85 -1.90 -2.77 115.31 120.16 2pi2 h LEU 98 Ca 0.06 -0.49 0.10 0.00 0.84 0.00 0.00 57.88 58.39 2pi2 h LEU 98 Cb 0.86 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 2pi2 h LEU 98 CO 0.07 1.03 0.30 0.22 -0.34 0.00 0.00 178.44 179.73 2pi2 h TYR 99 N 0.34 0.53 -0.88 1.25 3.20 -1.32 -1.20 116.97 118.89 2pi2 h TYR 99 Ca 0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2pi2 h TYR 99 Cb 0.86 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 2pi2 h TYR 99 CO 0.08 0.15 0.57 -0.97 -1.64 0.00 0.00 178.16 176.35 2pi2 h ASN 100 N 0.50 0.97 -0.74 -2.11 -1.24 -1.13 -0.67 115.58 111.16 2pi2 h ASN 100 Ca 0.35 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.32 2pi2 h ASN 100 Cb 0.43 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 2pi2 h ASN 100 CO -0.31 0.68 0.34 -0.33 -1.29 0.00 0.00 177.43 176.52 2pi2 h GLU 101 N 1.14 1.07 -0.78 6.67 4.39 -1.07 -1.51 114.58 124.50 2pi2 h GLU 101 Ca 0.34 -0.17 0.07 0.00 0.34 0.00 0.00 59.36 59.94 2pi2 h GLU 101 Cb -0.05 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.35 2pi2 h GLU 101 CO -0.10 0.85 0.46 0.00 -1.16 0.00 0.00 179.01 179.05 2pi2 h ALA 102 N 1.17 1.07 -0.71 3.43 0.00 -0.46 -1.41 119.26 122.35 2pi2 h ALA 102 Ca 0.25 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2pi2 h ALA 102 Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2pi2 h ALA 102 CO -0.03 0.15 0.46 0.28 0.00 0.00 0.00 179.25 180.11 2pi2 h VAL 103 N 0.82 1.16 -0.78 0.00 2.07 -0.78 -0.69 116.25 118.05 2pi2 h VAL 103 Ca 0.35 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2pi2 h VAL 103 Cb 0.21 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2pi2 h VAL 103 CO -0.19 0.17 0.29 0.11 0.02 0.00 0.00 177.57 177.97 2pi2 h LYS 104 N 0.93 1.19 -0.28 1.57 1.57 -0.82 -2.65 116.57 118.08 2pi2 h LYS 104 Ca 0.27 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2pi2 h LYS 104 Cb -0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 2pi2 h LYS 104 CO -0.07 0.97 -0.08 0.82 -0.57 0.00 0.00 179.45 180.52 2pi2 h ILE 105 N 1.15 1.28 -0.69 1.86 2.04 -0.99 -1.45 117.51 120.72 2pi2 h ILE 105 Ca 0.26 -1.12 0.15 0.00 1.00 0.00 0.00 64.86 65.15 2pi2 h ILE 105 Cb 0.24 1.43 -0.12 0.00 -0.74 0.00 0.00 36.82 37.64 2pi2 h ILE 105 CO -0.02 0.35 0.03 0.40 0.00 0.00 0.00 178.15 178.91 2pi2 h ILE 106 N 0.31 0.43 0.00 -0.67 2.04 -1.05 0.20 117.51 118.77 2pi2 h ILE 106 Ca 0.07 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2pi2 h ILE 106 Cb 0.56 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2pi2 h ILE 106 CO 0.03 0.02 -0.06 0.45 0.00 0.00 0.00 178.15 178.60 2pi2 h HIS 107 N 0.13 0.00 0.00 1.37 3.86 -1.32 -3.07 115.15 116.11 2pi2 h HIS 107 Ca 0.37 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.48 2pi2 h HIS 107 Cb 0.63 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2pi2 h HIS 107 CO -0.38 0.00 -0.67 -0.44 0.86 0.00 0.00 177.93 177.30 2pi2 h ASP 108 N 0.00 0.00 -2.14 2.45 3.32 -0.53 -3.39 116.42 116.13 2pi2 h ASP 108 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2pi2 h ASP 108 Cb 0.99 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.13 2pi2 h ASP 108 CO 0.00 0.43 -0.89 0.49 -1.72 0.00 0.00 179.24 177.55 2pi2 n PHE 109 N -3.10 2.12 0.30 4.55 3.01 -0.01 -4.92 117.46 119.41 2pi2 n PHE 109 Ca -0.00 -3.91 0.16 0.00 1.01 0.00 0.00 57.45 54.71 2pi2 n PHE 109 Cb 0.72 -0.46 0.93 0.00 -0.01 0.00 0.00 39.48 40.67 2pi2 n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2pi2 h PRO 110 N 3.24 0.00 0.00 -1.08 0.13 -1.76 -0.86 132.00 131.66 2pi2 h PRO 110 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 2pi2 h PRO 110 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2pi2 h PRO 110 CO 0.67 0.03 -0.07 -0.56 -0.23 0.00 0.00 178.00 177.84 2pi2 h GLN 111 N 0.00 0.00 -0.05 0.86 -0.00 -1.91 -2.76 115.11 111.26 2pi2 h GLN 111 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2pi2 h GLN 111 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 2pi2 h GLN 111 CO 0.00 0.07 0.00 1.19 -0.00 0.00 0.00 178.83 180.09 2pi2 n PHE 112 N -3.50 0.04 -3.04 0.06 0.99 -0.35 -4.66 117.46 107.01 2pi2 n PHE 112 Ca -0.02 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.45 57.22 2pi2 n PHE 112 Cb 0.19 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.64 2pi2 n PHE 112 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 2pi2 n TYR 113 N 0.70 -1.87 -2.00 1.38 9.36 -1.06 -5.13 117.16 118.53 2pi2 n TYR 113 Ca 0.08 -2.65 -0.40 0.00 3.32 0.00 0.00 57.90 58.25 2pi2 n TYR 113 Cb 0.32 0.60 -0.00 0.00 -0.63 0.00 0.00 39.34 39.64 2pi2 n TYR 113 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2pi2 s PRO 114 N -0.07 3.92 -0.57 2.98 0.02 -1.09 -4.69 135.00 135.49 2pi2 s PRO 114 Ca 0.33 2.22 -0.21 0.00 0.02 0.00 0.00 61.00 63.35 2pi2 s PRO 114 Cb 0.13 -2.75 0.06 0.00 0.02 0.00 0.00 34.50 31.97 2pi2 s PRO 114 CO -0.16 -0.55 0.81 -1.17 -0.33 0.00 0.00 177.00 175.60 2pi2 s LEU 115 N -2.47 4.66 0.00 -5.54 2.96 -1.26 -4.96 118.68 112.08 2pi2 s LEU 115 Ca 0.57 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2pi2 s LEU 115 Cb -0.39 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 43.79 2pi2 s LEU 115 CO 0.51 -1.16 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 2pi2 n GLY 116 N 5.22 -1.14 3.77 7.98 0.00 -1.26 -4.89 105.19 114.87 2pi2 n GLY 116 Ca -0.04 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 2pi2 n GLY 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pi2 s ILE 117 N 0.00 3.44 -0.21 -0.61 1.10 -1.26 -5.13 121.20 118.52 2pi2 s ILE 117 Ca 0.00 1.27 0.00 0.00 -0.51 0.00 0.00 60.65 61.41 2pi2 s ILE 117 Cb 0.00 -3.74 0.00 0.00 0.15 0.00 0.00 42.46 38.87 2pi2 s ILE 117 CO 0.00 0.17 0.05 1.33 -2.11 0.00 0.00 174.94 174.38