#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py9 s PHE 3 N 0.00 -0.06 0.28 1.08 -0.12 -1.26 -4.62 117.98 113.27 1py9 s PHE 3 Ca 0.00 -0.30 0.08 0.00 -0.05 0.00 0.00 56.93 56.67 1py9 s PHE 3 Cb 0.00 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1py9 s PHE 3 CO 0.00 -0.66 0.12 -0.98 -0.05 0.00 0.00 175.22 173.65 1py9 s ARG 4 N -3.83 2.59 -0.13 1.99 1.70 -0.24 -4.79 118.95 116.23 1py9 s ARG 4 Ca 0.04 -1.29 -0.02 0.00 -0.47 0.00 0.00 55.73 54.00 1py9 s ARG 4 Cb 0.03 -2.35 -0.02 0.00 -0.57 0.00 0.00 34.95 32.04 1py9 s ARG 4 CO -0.11 0.32 -0.08 0.08 -1.08 0.00 0.00 175.30 174.43 1py9 s VAL 5 N -2.27 3.55 -0.10 4.99 1.01 -1.26 -1.14 120.40 125.18 1py9 s VAL 5 Ca 0.34 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1py9 s VAL 5 Cb -0.06 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1py9 s VAL 5 CO 0.23 0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 175.03 1py9 s ILE 6 N 0.19 2.58 0.32 2.22 1.01 0.87 -4.44 121.20 123.94 1py9 s ILE 6 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1py9 s ILE 6 Cb -0.14 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1py9 s ILE 6 CO 0.04 0.55 0.14 -0.83 0.00 0.00 0.00 174.94 174.84 1py9 s GLY 7 N 0.20 2.13 0.38 6.18 0.00 -1.26 -1.86 107.32 113.09 1py9 s GLY 7 Ca -0.11 -1.71 -0.27 0.00 0.00 0.00 0.00 44.72 42.63 1py9 s GLY 7 CO 0.06 -1.64 1.29 2.56 0.00 0.00 0.00 173.10 175.37 1py9 s PRO 8 N -3.82 4.11 0.16 2.90 0.04 -1.26 -4.94 135.00 132.19 1py9 s PRO 8 Ca 0.34 2.14 0.10 0.00 0.04 0.00 0.00 61.00 63.62 1py9 s PRO 8 Cb 0.05 -2.85 -0.13 0.00 0.04 0.00 0.00 34.50 31.61 1py9 s PRO 8 CO 0.17 -0.37 1.29 0.78 0.04 0.00 0.00 177.00 178.90 1py9 h GLY 9 N 2.91 0.00 -2.72 0.56 0.00 -2.00 -3.44 103.07 98.37 1py9 h GLY 9 Ca -0.49 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.31 1py9 h GLY 9 CO 0.63 0.00 -0.57 -0.19 0.00 0.00 0.00 176.54 176.42 1py9 s TYR 10 N -2.79 2.92 0.26 5.60 2.02 -1.26 -4.94 117.35 119.16 1py9 s TYR 10 Ca 0.02 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.23 1py9 s TYR 10 Cb 0.09 -1.36 -0.13 0.00 -0.40 0.00 0.00 41.96 40.16 1py9 s TYR 10 CO 0.80 0.53 1.35 -2.30 -1.57 0.00 0.00 175.55 174.35 1py9 n PRO 11 N -1.09 1.96 -3.20 -1.71 -0.02 -1.26 -4.71 135.00 124.97 1py9 n PRO 11 Ca -0.07 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.72 1py9 n PRO 11 Cb 0.59 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 1py9 n PRO 11 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1py9 s ILE 12 N -0.33 5.13 -0.01 4.25 -1.09 -0.10 -4.89 121.20 124.15 1py9 s ILE 12 Ca 0.65 1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 60.16 1py9 s ILE 12 Cb -0.65 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.28 1py9 s ILE 12 CO 0.53 0.28 0.24 -0.13 -1.23 0.00 0.00 174.94 174.63 1py9 s ARG 13 N 0.80 3.54 -0.02 2.79 0.52 -1.26 0.46 118.95 125.79 1py9 s ARG 13 Ca 0.30 -0.13 -0.18 0.00 -0.52 0.00 0.00 55.73 55.20 1py9 s ARG 13 Cb -0.16 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.24 1py9 s ARG 13 CO 0.13 0.67 0.38 0.00 0.02 0.00 0.00 175.30 176.50 1py9 s ALA 14 N -1.27 -0.97 -0.09 2.13 0.00 0.14 -4.92 121.76 116.79 1py9 s ALA 14 Ca 0.26 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 1py9 s ALA 14 Cb -0.13 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1py9 s ALA 14 CO 0.15 -0.29 0.46 -0.51 0.00 0.00 0.00 175.76 175.56 1py9 s LEU 15 N -1.36 4.33 0.30 0.00 1.43 -1.26 -0.70 118.68 121.41 1py9 s LEU 15 Ca -0.12 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 1py9 s LEU 15 Cb -0.04 -2.66 -0.12 0.00 0.03 0.00 0.00 46.19 43.40 1py9 s LEU 15 CO 0.05 0.09 1.51 0.55 0.23 0.00 0.00 176.35 178.78 1py9 n VAL 16 N 3.17 1.23 0.00 -1.59 3.14 0.59 -1.21 118.33 123.66 1py9 n VAL 16 Ca -0.09 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1py9 n VAL 16 Cb 0.52 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.47 1py9 n VAL 16 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1py9 n GLY 17 N 1.80 3.21 0.00 7.55 0.00 -0.19 -4.95 105.19 112.61 1py9 n GLY 17 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1py9 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1py9 n ASP 18 N 0.08 0.00 -4.77 1.61 8.00 -0.35 -4.35 116.55 116.77 1py9 n ASP 18 Ca 0.00 -0.32 -0.31 0.00 0.71 0.00 0.00 54.79 54.86 1py9 n ASP 18 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1py9 n ASP 18 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1py9 s GLU 19 N 0.75 2.93 0.07 -1.24 4.04 -1.26 0.62 118.70 124.61 1py9 s GLU 19 Ca 0.00 -0.62 0.07 0.00 0.04 0.00 0.00 54.97 54.46 1py9 s GLU 19 Cb 0.00 -2.76 -0.03 0.00 0.02 0.00 0.00 34.13 31.36 1py9 s GLU 19 CO 0.00 0.60 -0.20 0.00 -1.84 0.00 0.00 175.26 173.82 1py9 s ALA 20 N -1.30 1.71 -0.06 -0.84 0.00 -0.28 -4.73 121.76 116.26 1py9 s ALA 20 Ca 0.26 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1py9 s ALA 20 Cb -0.12 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1py9 s ALA 20 CO 0.18 0.36 -0.09 -1.21 0.00 0.00 0.00 175.76 175.00 1py9 s GLU 21 N -1.52 1.40 -0.24 0.00 2.02 -1.26 -0.31 118.70 118.79 1py9 s GLU 21 Ca 0.06 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1py9 s GLU 21 Cb -0.09 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 32.94 1py9 s GLU 21 CO 0.03 -0.02 -0.08 -0.51 0.02 0.00 0.00 175.26 174.69 1py9 s LEU 22 N 0.79 3.09 0.37 1.80 1.43 -0.02 -4.95 118.68 121.18 1py9 s LEU 22 Ca -0.13 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 51.90 1py9 s LEU 22 Cb -0.15 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.34 1py9 s LEU 22 CO 0.02 -0.12 0.82 -2.16 0.23 0.00 0.00 176.35 175.14 1py9 s PRO 23 N 1.30 4.07 -0.28 1.29 0.04 -1.26 -0.86 135.00 139.30 1py9 s PRO 23 Ca -0.00 0.83 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 1py9 s PRO 23 Cb -0.17 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1py9 s PRO 23 CO -0.06 0.07 0.75 0.00 0.04 0.00 0.00 177.00 177.81 1py9 s ARG 25 N 0.96 1.08 0.06 0.00 1.70 -0.78 -1.23 118.95 120.74 1py9 s ARG 25 Ca -0.05 -0.91 0.01 0.00 -0.47 0.00 0.00 55.73 54.32 1py9 s ARG 25 Cb -0.05 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 1py9 s ARG 25 CO -0.09 -0.41 0.15 0.96 -1.08 0.00 0.00 175.30 174.83 1py9 s ILE 26 N -3.87 5.02 -0.05 4.99 -4.36 -0.53 -0.09 121.20 122.31 1py9 s ILE 26 Ca 0.08 -0.52 -0.02 0.00 -0.26 0.00 0.00 60.65 59.93 1py9 s ILE 26 Cb 0.02 -3.42 0.03 0.00 1.25 0.00 0.00 42.46 40.35 1py9 s ILE 26 CO -0.08 0.16 0.11 -0.55 0.24 0.00 0.00 174.94 174.82 1py9 s SER 27 N -2.37 -0.05 0.58 4.36 0.15 -0.29 -3.44 113.70 112.64 1py9 s SER 27 Ca 0.31 0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.97 1py9 s SER 27 Cb -0.13 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.26 1py9 s SER 27 CO 0.24 -0.13 1.35 -2.84 1.20 0.00 0.00 173.24 173.06 1py9 s PRO 28 N 1.05 2.95 0.39 5.44 0.02 -1.26 -1.08 135.00 142.51 1py9 s PRO 28 Ca -0.08 2.21 -0.25 0.00 0.02 0.00 0.00 61.00 62.90 1py9 s PRO 28 Cb -0.11 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.19 1py9 s PRO 28 CO -0.05 -1.33 1.09 0.20 -0.33 0.00 0.00 177.00 176.58 1py9 s GLY 29 N -1.06 2.80 0.17 0.52 0.00 -1.22 -4.95 107.32 103.58 1py9 s GLY 29 Ca 0.75 0.80 -0.24 0.00 0.00 0.00 0.00 44.72 46.03 1py9 s GLY 29 CO 0.46 1.26 0.82 -1.59 0.00 0.00 0.00 173.10 174.05 1py9 s LYS 30 N -2.36 1.33 0.05 2.90 -2.85 -1.20 -4.93 119.74 112.68 1py9 s LYS 30 Ca 0.57 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 54.56 1py9 s LYS 30 Cb -0.25 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 35.92 1py9 s LYS 30 CO 0.32 -0.60 1.96 -1.71 0.10 0.00 0.00 175.35 175.41 1py9 n ASN 31 N -0.42 4.15 -0.91 0.03 2.85 -1.00 -1.89 115.26 118.07 1py9 n ASN 31 Ca -0.08 0.92 0.07 0.00 -0.11 0.00 0.00 54.58 55.38 1py9 n ASN 31 Cb 0.61 -1.53 0.23 0.00 1.24 0.00 0.00 39.78 40.33 1py9 n ASN 31 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1py9 n ALA 32 N 7.25 2.65 -0.35 5.20 0.00 -0.88 -4.67 120.51 129.70 1py9 n ALA 32 Ca 0.20 -1.66 0.03 0.00 0.00 0.00 0.00 53.44 52.01 1py9 n ALA 32 Cb 0.40 -0.64 0.19 0.00 0.00 0.00 0.00 19.45 19.40 1py9 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1py9 h THR 33 N 2.33 1.08 -0.44 0.00 2.02 -1.89 -1.95 112.91 114.05 1py9 h THR 33 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1py9 h THR 33 Cb 1.13 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1py9 h THR 33 CO 0.13 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.83 1py9 n GLY 34 N -1.37 1.21 3.96 2.16 0.00 -1.26 -4.33 105.19 105.56 1py9 n GLY 34 Ca 0.15 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1py9 n GLY 34 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1py9 s MET 35 N -1.45 2.72 -0.19 1.61 -1.94 -0.73 -4.73 119.30 114.59 1py9 s MET 35 Ca 0.30 -0.66 -0.10 0.00 -1.71 0.00 0.00 55.69 53.52 1py9 s MET 35 Cb 0.16 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.45 1py9 s MET 35 CO 0.20 -0.57 0.14 -2.00 -0.01 0.00 0.00 175.02 172.78 1py9 s GLU 36 N -4.70 4.16 -0.18 2.03 2.12 -0.18 -4.53 118.70 117.42 1py9 s GLU 36 Ca 0.54 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1py9 s GLU 36 Cb -0.10 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.90 1py9 s GLU 36 CO 0.38 0.32 -0.17 0.08 -0.54 0.00 0.00 175.26 175.33 1py9 s VAL 37 N 0.30 1.88 -0.03 3.70 1.01 0.76 -0.02 120.40 128.01 1py9 s VAL 37 Ca 0.09 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1py9 s VAL 37 Cb -0.11 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1py9 s VAL 37 CO -0.01 0.46 -0.20 -0.83 0.00 0.00 0.00 175.10 174.52 1py9 s GLY 38 N 1.35 0.99 -0.09 4.51 0.00 -0.76 -0.51 107.32 112.81 1py9 s GLY 38 Ca 0.04 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1py9 s GLY 38 CO -0.12 -0.62 -0.21 -0.98 0.00 0.00 0.00 173.10 171.18 1py9 s TRP 39 N -0.31 2.61 0.07 1.90 0.52 0.37 -0.36 118.94 123.73 1py9 s TRP 39 Ca 0.04 -0.80 0.01 0.00 0.02 0.00 0.00 56.10 55.38 1py9 s TRP 39 Cb -0.09 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1py9 s TRP 39 CO 0.00 -0.27 -0.06 0.71 0.02 0.00 0.00 176.95 177.35 1py9 s TYR 40 N 0.14 0.74 0.56 -1.98 2.02 -0.31 -0.41 117.35 118.11 1py9 s TYR 40 Ca -0.11 -0.78 -0.09 0.00 -0.37 0.00 0.00 57.07 55.73 1py9 s TYR 40 Cb -0.16 -0.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1py9 s TYR 40 CO 0.06 -0.16 0.92 1.03 -1.57 0.00 0.00 175.55 175.84 1py9 s ARG 41 N -2.99 3.59 -0.08 -0.62 1.81 -0.68 -0.13 118.95 119.86 1py9 s ARG 41 Ca 0.03 0.53 -0.15 0.00 -1.72 0.00 0.00 55.73 54.42 1py9 s ARG 41 Cb -0.00 -2.21 0.03 0.00 -0.45 0.00 0.00 34.95 32.32 1py9 s ARG 41 CO -0.04 -0.40 0.36 0.45 -0.68 0.00 0.00 175.30 174.99 1py9 s SER 42 N -4.09 -0.31 0.25 0.23 0.15 -0.68 -3.85 113.70 105.40 1py9 s SER 42 Ca 0.52 0.44 0.07 0.00 0.70 0.00 0.00 55.95 57.68 1py9 s SER 42 Cb -0.11 0.54 0.30 0.00 -1.71 0.00 0.00 66.02 65.05 1py9 s SER 42 CO 0.49 -0.30 1.58 1.55 1.20 0.00 0.00 173.24 177.76 1py9 h PRO 43 N 4.63 0.12 -6.25 5.44 0.13 -1.99 -2.95 132.00 131.13 1py9 h PRO 43 Ca -0.28 -0.09 -0.59 0.00 -0.87 0.00 0.00 66.00 64.17 1py9 h PRO 43 Cb 1.18 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1py9 h PRO 43 CO 0.34 0.70 0.64 -0.06 -0.23 0.00 0.00 178.00 179.39 1py9 s PHE 44 N -3.68 2.90 0.42 1.56 0.08 -1.26 -5.00 117.98 113.00 1py9 s PHE 44 Ca -0.03 0.44 -0.25 0.00 0.12 0.00 0.00 56.93 57.22 1py9 s PHE 44 Cb 0.12 -4.05 -0.08 0.00 -0.57 0.00 0.00 43.02 38.44 1py9 s PHE 44 CO 0.78 -1.13 1.18 -1.54 -0.10 0.00 0.00 175.22 174.41 1py9 s SER 45 N 2.30 6.40 -0.29 1.36 1.04 -1.25 -4.58 113.70 118.68 1py9 s SER 45 Ca 0.39 2.35 -0.25 0.00 0.48 0.00 0.00 55.95 58.93 1py9 s SER 45 Cb -0.10 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.56 1py9 s SER 45 CO 0.27 -0.76 1.19 0.00 0.98 0.00 0.00 173.24 174.92 1py9 s ARG 46 N -2.42 0.32 -0.23 4.02 1.70 -1.26 -4.92 118.95 116.17 1py9 s ARG 46 Ca 0.59 0.39 -0.29 0.00 -0.47 0.00 0.00 55.73 55.95 1py9 s ARG 46 Cb -0.30 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.22 1py9 s ARG 46 CO 0.38 -0.04 1.40 0.08 -1.08 0.00 0.00 175.30 176.04 1py9 s VAL 47 N 0.19 4.02 -0.11 4.99 1.01 -1.26 -1.68 120.40 127.56 1py9 s VAL 47 Ca 0.04 1.18 -0.20 0.00 0.00 0.00 0.00 61.98 63.00 1py9 s VAL 47 Cb -0.05 -3.95 -0.27 0.00 0.00 0.00 0.00 36.38 32.10 1py9 s VAL 47 CO -0.10 -0.32 0.63 0.58 0.00 0.00 0.00 175.10 175.88 1py9 h VAL 48 N 5.88 1.23 -1.83 2.92 2.07 -1.08 0.37 116.25 125.81 1py9 h VAL 48 Ca -0.29 -2.40 0.01 0.00 0.82 0.00 0.00 66.70 64.83 1py9 h VAL 48 Cb 1.12 2.86 -0.23 0.00 -1.52 0.00 0.00 31.29 33.52 1py9 h VAL 48 CO 1.00 0.65 0.26 -2.28 0.02 0.00 0.00 177.57 177.22 1py9 s HIS 49 N -2.42 -0.67 -0.05 1.57 2.46 -1.12 -4.73 115.29 110.32 1py9 s HIS 49 Ca -0.19 1.62 -0.00 0.00 0.47 0.00 0.00 55.06 56.95 1py9 s HIS 49 Cb 0.03 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.83 1py9 s HIS 49 CO 0.75 -0.32 -0.01 -1.17 -2.47 0.00 0.00 174.74 171.52 1py9 s LEU 50 N 0.40 0.89 -0.14 8.88 0.20 -1.26 -0.48 118.68 127.17 1py9 s LEU 50 Ca 0.01 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.77 1py9 s LEU 50 Cb -0.05 -0.37 0.00 0.00 -0.43 0.00 0.00 46.19 45.35 1py9 s LEU 50 CO -0.03 -0.14 -0.20 -0.47 -0.29 0.00 0.00 176.35 175.22 1py9 s TYR 51 N 1.47 2.70 0.04 5.38 5.04 0.33 -0.19 117.35 132.13 1py9 s TYR 51 Ca -0.03 -1.21 -0.24 0.00 -2.44 0.00 0.00 57.07 53.15 1py9 s TYR 51 Cb -0.13 -1.83 0.06 0.00 0.35 0.00 0.00 41.96 40.40 1py9 s TYR 51 CO -0.03 -0.55 0.56 -0.98 -1.34 0.00 0.00 175.55 173.22 1py9 s ARG 52 N 0.78 1.07 -1.54 4.97 1.70 -0.66 -0.17 118.95 125.10 1py9 s ARG 52 Ca -0.07 -0.15 -0.14 0.00 -0.47 0.00 0.00 55.73 54.89 1py9 s ARG 52 Cb -0.16 0.49 0.09 0.00 -0.57 0.00 0.00 34.95 34.80 1py9 s ARG 52 CO -0.00 -0.39 0.98 0.09 -1.08 0.00 0.00 175.30 174.90 1py9 n ASN 53 N 0.43 -4.79 0.00 -2.89 4.13 -1.26 -1.76 115.26 109.12 1py9 n ASN 53 Ca -0.18 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.29 1py9 n ASN 53 Cb 0.60 -3.85 0.00 0.00 -1.54 0.00 0.00 39.78 34.99 1py9 n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1py9 n GLY 54 N -1.69 0.27 3.07 7.41 0.00 -1.26 -5.00 105.19 107.99 1py9 n GLY 54 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1py9 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1py9 s LYS 55 N -0.94 0.46 0.09 1.61 1.02 -0.72 -5.12 119.74 116.13 1py9 s LYS 55 Ca 0.00 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 1py9 s LYS 55 Cb 0.00 0.18 -0.06 0.00 -0.52 0.00 0.00 37.83 37.43 1py9 s LYS 55 CO 0.00 -0.10 1.11 -0.51 -0.92 0.00 0.00 175.35 174.93 1py9 s ASP 56 N -1.69 7.22 -0.96 2.83 1.01 -1.26 -1.65 116.67 122.17 1py9 s ASP 56 Ca -0.11 1.96 -0.12 0.00 0.71 0.00 0.00 52.55 54.98 1py9 s ASP 56 Cb -0.06 -2.59 0.24 0.00 1.01 0.00 0.00 42.92 41.52 1py9 s ASP 56 CO -0.01 -0.32 0.95 -1.10 0.21 0.00 0.00 175.17 174.89 1py9 s GLN 57 N 0.53 3.87 0.28 8.23 -1.52 0.73 -4.91 119.66 126.88 1py9 s GLN 57 Ca 0.54 -2.75 -0.00 0.00 -1.95 0.00 0.00 55.36 51.20 1py9 s GLN 57 Cb -0.27 -4.53 0.49 0.00 -0.22 0.00 0.00 33.01 28.48 1py9 s GLN 57 CO 0.31 -1.31 1.87 -0.44 -0.25 0.00 0.00 175.29 175.47 1py9 h ASP 58 N 7.35 0.97 0.44 5.90 3.32 -1.93 -2.36 116.42 130.11 1py9 h ASP 58 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1py9 h ASP 58 Cb 0.97 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1py9 h ASP 58 CO 0.89 0.59 0.00 0.00 -1.72 0.00 0.00 179.24 179.00 1py9 h ALA 59 N 1.50 1.00 0.00 3.45 0.00 -1.98 -2.98 119.26 120.25 1py9 h ALA 59 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1py9 h ALA 59 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1py9 h ALA 59 CO -0.19 0.00 -1.04 0.39 0.00 0.00 0.00 179.25 178.41 1py9 n GLU 60 N -2.83 0.47 -2.35 0.00 1.02 -0.89 -4.93 120.64 111.14 1py9 n GLU 60 Ca -0.01 0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 1py9 n GLU 60 Cb 0.17 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1py9 n GLU 60 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1py9 s GLN 61 N -3.30 3.78 0.53 3.49 -2.07 -1.13 -4.73 119.66 116.23 1py9 s GLN 61 Ca 0.01 0.74 -0.22 0.00 -1.82 0.00 0.00 55.36 54.07 1py9 s GLN 61 Cb 0.12 -2.19 -0.05 0.00 -1.09 0.00 0.00 33.01 29.80 1py9 s GLN 61 CO 0.79 -0.31 1.33 0.00 -1.32 0.00 0.00 175.29 175.79 1py9 s ALA 62 N -2.75 2.84 0.30 2.60 0.00 0.13 -4.86 121.76 120.03 1py9 s ALA 62 Ca 0.55 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.85 1py9 s ALA 62 Cb -0.10 -3.54 0.80 0.00 0.00 0.00 0.00 23.12 20.27 1py9 s ALA 62 CO 0.39 -1.28 1.67 -1.35 0.00 0.00 0.00 175.76 175.19 1py9 h PRO 63 N 1.55 0.30 0.00 0.00 0.11 -1.95 -0.64 132.00 131.36 1py9 h PRO 63 Ca -0.51 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1py9 h PRO 63 Cb 1.29 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1py9 h PRO 63 CO 0.58 0.20 -0.01 1.05 -0.21 0.00 0.00 178.00 179.61 1py9 h GLU 64 N 0.30 0.00 0.00 1.05 4.11 -1.96 -2.37 114.58 115.72 1py9 h GLU 64 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.02 1py9 h GLU 64 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1py9 h GLU 64 CO -0.60 0.01 -1.09 0.66 0.07 0.00 0.00 179.01 178.06 1py9 n TYR 65 N -3.29 0.08 -1.66 2.06 4.01 -0.25 -4.82 117.16 113.29 1py9 n TYR 65 Ca -0.03 0.02 -0.52 0.00 -0.16 0.00 0.00 57.90 57.21 1py9 n TYR 65 Cb 0.09 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 38.84 1py9 n TYR 65 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1py9 n ARG 66 N -1.74 1.48 -0.82 -0.72 5.12 -0.90 -0.34 116.66 118.74 1py9 n ARG 66 Ca 0.02 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1py9 n ARG 66 Cb 0.40 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 1py9 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1py9 n GLY 67 N 3.51 0.45 0.36 -0.13 0.00 -1.26 -4.81 105.19 103.32 1py9 n GLY 67 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1py9 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1py9 n ARG 68 N -1.76 1.66 -4.13 1.61 1.74 0.54 -4.97 116.66 111.35 1py9 n ARG 68 Ca 0.00 -1.46 -0.14 0.00 -0.77 0.00 0.00 57.85 55.48 1py9 n ARG 68 Cb 0.06 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 1py9 n ARG 68 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1py9 s THR 69 N -0.83 0.81 -0.09 0.55 -4.23 -1.19 -0.01 115.64 110.65 1py9 s THR 69 Ca 0.12 -1.37 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1py9 s THR 69 Cb 0.07 -1.03 0.02 0.00 1.34 0.00 0.00 72.50 72.90 1py9 s THR 69 CO 0.10 -0.44 0.27 -1.61 -0.54 0.00 0.00 174.62 172.40 1py9 s GLU 70 N -2.17 0.37 -0.41 3.99 2.02 -0.80 -5.00 118.70 116.71 1py9 s GLU 70 Ca -0.02 0.27 -0.07 0.00 0.02 0.00 0.00 54.97 55.17 1py9 s GLU 70 Cb -0.07 0.18 0.09 0.00 0.10 0.00 0.00 34.13 34.42 1py9 s GLU 70 CO 0.00 -0.06 0.23 -1.17 0.02 0.00 0.00 175.26 174.28 1py9 s LEU 71 N -0.12 5.10 0.14 1.80 2.96 -1.26 -0.50 118.68 126.79 1py9 s LEU 71 Ca -0.03 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 51.96 1py9 s LEU 71 Cb -0.03 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.66 1py9 s LEU 71 CO 0.01 -0.52 1.15 -0.76 -1.32 0.00 0.00 176.35 174.91 1py9 s LEU 72 N 1.35 4.44 -0.12 -0.68 1.43 -0.16 -4.90 118.68 120.04 1py9 s LEU 72 Ca 0.03 2.10 0.14 0.00 -1.03 0.00 0.00 54.13 55.38 1py9 s LEU 72 Cb -0.23 -3.60 0.30 0.00 0.03 0.00 0.00 46.19 42.70 1py9 s LEU 72 CO 0.00 -0.33 1.15 0.29 0.23 0.00 0.00 176.35 177.69 1py9 n LYS 73 N 2.86 1.02 0.25 1.70 5.02 -1.26 -2.66 118.16 125.10 1py9 n LYS 73 Ca 0.05 -2.49 0.18 0.00 -2.02 0.00 0.00 58.31 54.03 1py9 n LYS 73 Cb 0.46 -1.20 0.90 0.00 -0.02 0.00 0.00 35.03 35.16 1py9 n LYS 73 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1py9 h GLU 74 N 0.43 0.00 0.00 1.97 4.39 -1.93 -2.09 114.58 117.35 1py9 h GLU 74 Ca -0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1py9 h GLU 74 Cb 1.17 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 1py9 h GLU 74 CO 0.01 0.00 -0.43 0.25 -1.16 0.00 0.00 179.01 177.68 1py9 n THR 75 N -3.47 1.24 0.25 1.13 -2.24 -1.26 -4.76 114.28 105.17 1py9 n THR 75 Ca 0.00 -1.84 0.11 0.00 -2.27 0.00 0.00 64.05 60.06 1py9 n THR 75 Cb 0.31 0.14 0.66 0.00 -2.10 0.00 0.00 70.33 69.34 1py9 n THR 75 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1py9 h ILE 76 N 3.03 0.66 0.00 2.28 2.10 -0.83 -0.75 117.51 124.00 1py9 h ILE 76 Ca -0.04 -0.63 0.00 0.00 1.08 0.00 0.00 64.86 65.27 1py9 h ILE 76 Cb 1.25 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 1py9 h ILE 76 CO 0.02 0.15 0.00 0.77 -1.08 0.00 0.00 178.15 178.00 1py9 h SER 77 N 0.00 0.00 -0.01 2.19 4.64 -1.83 -0.40 113.55 118.14 1py9 h SER 77 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1py9 h SER 77 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1py9 h SER 77 CO 0.02 0.00 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.30 1py9 n GLU 78 N -2.97 1.90 -0.26 4.77 1.02 -0.33 -2.37 120.64 122.39 1py9 n GLU 78 Ca -0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.72 1py9 n GLU 78 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1py9 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1py9 n GLY 79 N 1.30 0.86 3.53 0.62 0.00 -0.21 -3.24 105.19 108.04 1py9 n GLY 79 Ca 0.15 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1py9 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1py9 s LYS 80 N -0.70 2.41 0.09 1.61 1.02 -0.92 -1.46 119.74 121.79 1py9 s LYS 80 Ca 0.00 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 1py9 s LYS 80 Cb 0.00 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1py9 s LYS 80 CO 0.00 0.59 0.05 0.14 -0.92 0.00 0.00 175.35 175.21 1py9 s VAL 81 N -0.92 0.16 -0.04 3.17 -7.23 -0.36 -2.12 120.40 113.05 1py9 s VAL 81 Ca 0.15 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1py9 s VAL 81 Cb -0.11 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.14 1py9 s VAL 81 CO 0.05 -0.72 0.04 -0.89 -0.31 0.00 0.00 175.10 173.27 1py9 s THR 82 N -3.97 0.03 -0.10 5.32 2.01 -1.09 -2.15 115.64 115.70 1py9 s THR 82 Ca 0.14 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 1py9 s THR 82 Cb 0.07 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1py9 s THR 82 CO -0.05 0.17 0.72 -0.22 -0.69 0.00 0.00 174.62 174.56 1py9 s LEU 83 N 1.76 4.27 -0.17 4.42 2.96 -0.04 -0.99 118.68 130.88 1py9 s LEU 83 Ca 0.00 1.15 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1py9 s LEU 83 Cb -0.12 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1py9 s LEU 83 CO -0.03 -0.20 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.15 1py9 s ARG 84 N 1.22 3.53 -0.30 1.98 3.52 0.34 -0.84 118.95 128.41 1py9 s ARG 84 Ca 0.37 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 55.32 1py9 s ARG 84 Cb -0.17 -2.91 0.01 0.00 -1.56 0.00 0.00 34.95 30.32 1py9 s ARG 84 CO 0.16 0.09 0.08 0.42 -0.81 0.00 0.00 175.30 175.24 1py9 s ILE 85 N 0.74 3.94 0.20 4.11 1.01 0.57 -1.91 121.20 129.87 1py9 s ILE 85 Ca -0.02 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1py9 s ILE 85 Cb -0.15 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.20 1py9 s ILE 85 CO 0.02 0.07 0.73 -1.10 0.00 0.00 0.00 174.94 174.66 1py9 s GLN 86 N 1.49 4.31 -0.98 2.79 -0.21 0.98 -1.13 119.66 126.91 1py9 s GLN 86 Ca 0.02 0.92 -0.12 0.00 0.02 0.00 0.00 55.36 56.21 1py9 s GLN 86 Cb -0.17 -2.98 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1py9 s GLN 86 CO 0.02 0.44 0.73 0.09 -2.12 0.00 0.00 175.29 174.46 1py9 n ASN 87 N 0.96 -5.76 -4.65 5.90 3.02 -1.00 -4.83 115.26 108.90 1py9 n ASN 87 Ca -0.03 -0.81 -0.45 0.00 -0.03 0.00 0.00 54.58 53.26 1py9 n ASN 87 Cb 0.51 -3.39 -0.02 0.00 -0.61 0.00 0.00 39.78 36.26 1py9 n ASN 87 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1py9 n VAL 88 N -3.33 1.17 -4.20 2.41 0.31 0.20 -4.71 118.33 110.19 1py9 n VAL 88 Ca -0.12 -0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 63.68 1py9 n VAL 88 Cb 0.59 -1.34 -0.06 0.00 -0.91 0.00 0.00 33.84 32.12 1py9 n VAL 88 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1py9 s ARG 89 N -0.70 2.61 0.34 5.55 0.52 -1.26 -1.02 118.95 124.99 1py9 s ARG 89 Ca 0.66 -1.21 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1py9 s ARG 89 Cb -0.68 -2.37 0.67 0.00 0.52 0.00 0.00 34.95 33.09 1py9 s ARG 89 CO 0.53 0.39 1.94 0.74 0.02 0.00 0.00 175.30 178.92 1py9 h PHE 90 N 1.78 0.86 0.00 -0.53 0.04 -1.97 -0.42 116.94 116.70 1py9 h PHE 90 Ca -0.46 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1py9 h PHE 90 Cb 1.24 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.11 1py9 h PHE 90 CO 0.62 0.45 0.00 -1.13 -0.60 0.00 0.00 178.31 177.64 1py9 n SER 91 N -4.49 0.32 0.10 2.17 3.41 -1.26 -2.13 113.62 111.75 1py9 n SER 91 Ca 0.12 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1py9 n SER 91 Cb 0.23 -0.64 0.45 0.00 -0.26 0.00 0.00 64.21 63.99 1py9 n SER 91 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1py9 n ASP 92 N -1.85 0.58 -4.76 4.04 8.00 -0.16 -4.77 116.55 117.63 1py9 n ASP 92 Ca 0.03 0.61 -0.39 0.00 0.71 0.00 0.00 54.79 55.75 1py9 n ASP 92 Cb 0.22 -0.75 0.01 0.00 -0.02 0.00 0.00 41.12 40.58 1py9 n ASP 92 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1py9 s GLU 93 N -3.19 3.69 0.00 -1.24 2.12 -0.90 -4.77 118.70 114.40 1py9 s GLU 93 Ca 0.07 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1py9 s GLU 93 Cb 0.11 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.92 1py9 s GLU 93 CO 0.45 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 1py9 n GLY 94 N 0.63 0.63 3.84 -1.50 0.00 -0.11 -4.95 105.19 103.73 1py9 n GLY 94 Ca 0.06 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 1py9 n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1py9 s GLY 95 N 0.00 2.34 0.01 -0.02 0.00 -1.11 -0.58 107.32 107.96 1py9 s GLY 95 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1py9 s GLY 95 CO 0.00 0.40 -0.02 -0.19 0.00 0.00 0.00 173.10 173.28 1py9 s TYR 96 N -2.07 0.20 -0.06 1.90 2.02 0.46 -1.69 117.35 118.11 1py9 s TYR 96 Ca 0.57 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.93 1py9 s TYR 96 Cb -0.10 -0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.32 1py9 s TYR 96 CO 0.16 -0.13 -0.17 0.99 -1.57 0.00 0.00 175.55 174.83 1py9 s THR 97 N -1.04 1.48 -0.14 -0.71 2.01 0.82 -0.60 115.64 117.44 1py9 s THR 97 Ca -0.11 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1py9 s THR 97 Cb -0.07 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1py9 s THR 97 CO -0.01 0.43 -0.14 0.00 -0.69 0.00 0.00 174.62 174.21 1py9 s PHE 99 N 0.60 2.60 -0.10 0.00 0.08 0.51 -1.12 117.98 120.55 1py9 s PHE 99 Ca -0.08 -0.23 -0.00 0.00 0.12 0.00 0.00 56.93 56.74 1py9 s PHE 99 Cb -0.16 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1py9 s PHE 99 CO 0.03 0.33 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.34 1py9 s PHE 100 N -1.04 1.43 -0.12 0.36 0.08 -0.88 -1.83 117.98 115.98 1py9 s PHE 100 Ca 0.17 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1py9 s PHE 100 Cb -0.11 -1.18 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1py9 s PHE 100 CO 0.08 -0.47 -0.15 0.50 -0.10 0.00 0.00 175.22 175.08 1py9 s ARG 101 N 1.56 2.31 -0.52 0.44 3.52 0.97 -2.57 118.95 124.67 1py9 s ARG 101 Ca 0.02 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1py9 s ARG 101 Cb -0.13 -2.00 0.14 0.00 -1.56 0.00 0.00 34.95 31.39 1py9 s ARG 101 CO -0.06 -0.11 0.30 0.34 -0.81 0.00 0.00 175.30 174.96 1py9 s ASP 102 N 1.13 5.00 1.94 -2.12 2.15 0.81 -1.01 116.67 124.57 1py9 s ASP 102 Ca -0.03 -2.62 0.00 0.00 0.43 0.00 0.00 52.55 50.33 1py9 s ASP 102 Cb -0.14 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 1py9 s ASP 102 CO -0.04 -0.38 0.00 1.41 -0.17 0.00 0.00 175.17 175.98 1py9 n HIS 103 N 3.76 0.00 1.57 -5.34 8.25 -1.26 -1.74 115.22 120.46 1py9 n HIS 103 Ca 0.04 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.65 1py9 n HIS 103 Cb 0.38 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.21 1py9 n HIS 103 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1py9 n SER 104 N 9.56 0.35 -4.58 0.41 3.41 -1.26 -4.83 113.62 116.68 1py9 n SER 104 Ca 0.00 -0.68 -0.34 0.00 -0.26 0.00 0.00 58.87 57.59 1py9 n SER 104 Cb 0.00 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 63.75 1py9 n SER 104 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1py9 s TYR 105 N -2.33 3.00 0.08 7.33 5.04 -0.71 -5.11 117.35 124.66 1py9 s TYR 105 Ca 0.35 -0.02 -0.09 0.00 -2.44 0.00 0.00 57.07 54.86 1py9 s TYR 105 Cb 0.21 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.74 1py9 s TYR 105 CO 0.43 0.28 0.21 1.14 -1.34 0.00 0.00 175.55 176.26 1py9 s GLN 106 N -0.56 0.84 0.20 4.97 -2.07 -1.26 -0.13 119.66 121.65 1py9 s GLN 106 Ca 0.09 -0.89 -0.16 0.00 -1.82 0.00 0.00 55.36 52.58 1py9 s GLN 106 Cb -0.12 0.34 0.02 0.00 -1.09 0.00 0.00 33.01 32.16 1py9 s GLN 106 CO 0.02 -0.27 0.49 -1.21 -1.32 0.00 0.00 175.29 173.01 1py9 s GLU 107 N -3.64 1.39 0.30 9.60 0.41 -1.06 -5.03 118.70 120.67 1py9 s GLU 107 Ca 0.03 -0.97 -0.16 0.00 -0.41 0.00 0.00 54.97 53.46 1py9 s GLU 107 Cb 0.04 0.50 0.02 0.00 -1.78 0.00 0.00 34.13 32.90 1py9 s GLU 107 CO -0.10 -0.58 0.64 -1.83 -0.49 0.00 0.00 175.26 172.90 1py9 s GLU 108 N -3.91 1.83 0.02 1.61 1.03 -1.26 -2.07 118.70 115.94 1py9 s GLU 108 Ca 0.12 -1.23 0.00 0.00 0.03 0.00 0.00 54.97 53.89 1py9 s GLU 108 Cb -0.01 0.56 -0.02 0.00 -0.80 0.00 0.00 34.13 33.87 1py9 s GLU 108 CO -0.00 -0.82 -0.03 0.00 -1.33 0.00 0.00 175.26 173.09 1py9 s ALA 109 N -3.52 0.12 0.09 -0.84 0.00 -0.28 -4.50 121.76 112.83 1py9 s ALA 109 Ca 0.17 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1py9 s ALA 109 Cb -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1py9 s ALA 109 CO 0.10 -0.12 -0.09 0.00 0.00 0.00 0.00 175.76 175.66 1py9 s ALA 110 N -1.13 3.00 0.18 0.00 0.00 -1.26 -0.37 121.76 122.17 1py9 s ALA 110 Ca -0.12 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 1py9 s ALA 110 Cb -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.10 1py9 s ALA 110 CO -0.01 0.65 0.43 0.00 0.00 0.00 0.00 175.76 176.83 1py9 s MET 111 N -2.13 1.28 -0.01 0.00 0.23 0.23 -4.83 119.30 114.07 1py9 s MET 111 Ca 0.21 -0.96 0.06 0.00 -1.03 0.00 0.00 55.69 53.97 1py9 s MET 111 Cb -0.11 0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 1py9 s MET 111 CO 0.14 -0.52 -0.18 -2.00 -2.03 0.00 0.00 175.02 170.43 1py9 s GLU 112 N -3.90 2.28 -0.10 3.16 2.56 -1.26 -0.41 118.70 121.03 1py9 s GLU 112 Ca 0.11 -0.84 0.03 0.00 0.00 0.00 0.00 54.97 54.27 1py9 s GLU 112 Cb 0.01 -2.25 -0.01 0.00 2.00 0.00 0.00 34.13 33.88 1py9 s GLU 112 CO -0.02 0.58 -0.19 -1.17 -0.56 0.00 0.00 175.26 173.90 1py9 s LEU 113 N -0.96 2.40 -0.19 2.70 2.96 0.25 -0.92 118.68 124.92 1py9 s LEU 113 Ca 0.12 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1py9 s LEU 113 Cb -0.10 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1py9 s LEU 113 CO 0.02 0.19 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.40 1py9 s LYS 114 N 0.19 3.33 -0.19 1.98 2.20 0.17 -0.93 119.74 126.49 1py9 s LYS 114 Ca -0.11 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 54.77 1py9 s LYS 114 Cb -0.16 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1py9 s LYS 114 CO 0.06 -0.11 0.05 0.08 -0.36 0.00 0.00 175.35 175.07 1py9 s VAL 115 N 1.20 4.56 -0.02 4.02 1.01 -1.26 -0.69 120.40 129.22 1py9 s VAL 115 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1py9 s VAL 115 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1py9 s VAL 115 CO -0.03 0.45 -0.06 -1.61 0.00 0.00 0.00 175.10 173.85 1py9 s GLU 116 N 0.57 2.66 0.00 2.72 2.02 0.12 -4.90 118.70 121.89 1py9 s GLU 116 Ca 0.02 -0.64 0.30 0.00 0.02 0.00 0.00 54.97 54.67 1py9 s GLU 116 Cb -0.13 -2.56 1.46 0.00 0.10 0.00 0.00 34.13 33.00 1py9 s GLU 116 CO 0.01 0.63 1.98 -0.40 0.02 0.00 0.00 175.26 177.50