#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2icc s ARG 1 N 0.00 1.48 0.44 1.61 3.03 -1.26 -5.07 118.95 119.19 2icc s ARG 1 Ca 0.00 -1.52 -0.25 0.00 2.03 0.00 0.00 55.73 55.98 2icc s ARG 1 Cb 0.00 -1.74 -0.08 0.00 -1.03 0.00 0.00 34.95 32.10 2icc s ARG 1 CO 0.00 0.37 1.37 -2.14 -1.13 0.00 0.00 175.30 173.76 2icc s PRO 2 N -2.76 3.76 -0.15 3.89 0.02 -1.26 -5.00 135.00 133.50 2icc s PRO 2 Ca 0.21 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.51 2icc s PRO 2 Cb -0.07 -2.66 0.03 0.00 0.02 0.00 0.00 34.50 31.81 2icc s PRO 2 CO 0.10 -0.71 -0.13 0.42 -0.33 0.00 0.00 177.00 176.35 2icc s ILE 3 N -1.24 1.51 0.28 2.83 1.01 -1.26 -5.04 121.20 119.29 2icc s ILE 3 Ca 0.60 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 2icc s ILE 3 Cb -0.41 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.51 2icc s ILE 3 CO 0.52 0.40 1.04 -0.76 0.00 0.00 0.00 174.94 176.14 2icc s LEU 4 N 1.50 4.55 -0.29 2.97 1.43 -1.26 -4.42 118.68 123.15 2icc s LEU 4 Ca 0.04 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2icc s LEU 4 Cb -0.13 -3.67 0.06 0.00 0.03 0.00 0.00 46.19 42.47 2icc s LEU 4 CO -0.10 -0.08 -0.03 -1.61 0.23 0.00 0.00 176.35 174.76 2icc s GLU 5 N -1.46 2.33 -0.11 1.70 2.02 0.13 -4.98 118.70 118.33 2icc s GLU 5 Ca 0.45 -1.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 2icc s GLU 5 Cb -0.29 -3.09 0.04 0.00 0.10 0.00 0.00 34.13 30.89 2icc s GLU 5 CO 0.37 -0.62 0.06 0.08 0.02 0.00 0.00 175.26 175.17 2icc s VAL 6 N 1.19 0.01 0.48 2.63 1.01 -1.26 -1.85 120.40 122.60 2icc s VAL 6 Ca -0.06 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 2icc s VAL 6 Cb -0.20 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 2icc s VAL 6 CO -0.03 -0.03 0.97 -2.65 0.00 0.00 0.00 175.10 173.36 2icc n PRO 7 N 5.25 1.19 0.03 2.72 -0.02 -1.26 -4.89 135.00 138.02 2icc n PRO 7 Ca -0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2icc n PRO 7 Cb 0.49 -2.06 0.32 0.00 -0.02 0.00 0.00 33.50 32.23 2icc n PRO 7 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2icc h GLU 8 N 1.19 0.46 -3.32 -0.52 4.22 -1.96 -3.40 114.58 111.25 2icc h GLU 8 Ca -0.46 -0.10 -0.08 0.00 0.08 0.00 0.00 59.36 58.80 2icc h GLU 8 Cb 1.35 -0.07 -0.16 0.00 0.50 0.00 0.00 28.75 30.37 2icc h GLU 8 CO 0.55 0.51 -0.21 -1.54 -2.18 0.00 0.00 179.01 176.14 2icc s SER 9 N -6.77 -0.14 -0.01 1.04 1.04 -1.26 -1.48 113.70 106.11 2icc s SER 9 Ca -0.07 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2icc s SER 9 Cb 0.15 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2icc s SER 9 CO 0.76 -0.67 -0.03 -0.69 0.98 0.00 0.00 173.24 173.59 2icc s VAL 10 N -2.86 0.30 -0.16 5.02 1.01 0.04 -4.91 120.40 118.85 2icc s VAL 10 Ca -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2icc s VAL 10 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2icc s VAL 10 CO -0.05 0.12 -0.07 -0.89 0.00 0.00 0.00 175.10 174.21 2icc s THR 11 N 0.29 3.57 0.23 3.92 2.01 -1.26 -0.72 115.64 123.68 2icc s THR 11 Ca -0.03 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.58 2icc s THR 11 Cb -0.06 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2icc s THR 11 CO -0.01 0.49 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.48 2icc s GLY 12 N 0.50 1.58 0.10 4.40 0.00 -0.24 -4.97 107.32 108.69 2icc s GLY 12 Ca -0.05 -1.75 -0.28 0.00 0.00 0.00 0.00 44.72 42.63 2icc s GLY 12 CO 0.03 -1.79 0.90 2.56 0.00 0.00 0.00 173.10 174.80 2icc s PRO 13 N -3.68 4.65 0.10 2.90 0.04 -1.26 -0.62 135.00 137.13 2icc s PRO 13 Ca 0.25 1.33 -0.34 0.00 0.04 0.00 0.00 61.00 62.29 2icc s PRO 13 Cb 0.01 -3.36 -0.13 0.00 0.04 0.00 0.00 34.50 31.06 2icc s PRO 13 CO 0.09 0.27 1.67 1.87 0.04 0.00 0.00 177.00 180.94 2icc n TRP 14 N 2.63 2.33 -0.83 0.56 -0.00 0.11 -0.99 117.44 121.25 2icc n TRP 14 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.50 57.67 2icc n TRP 14 Cb 0.49 -2.59 0.00 0.00 -0.00 0.00 0.00 31.31 29.21 2icc n TRP 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2icc n LYS 15 N 4.35 -0.52 0.00 5.87 5.02 0.66 -4.88 118.16 128.67 2icc n LYS 15 Ca 0.18 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2icc n LYS 15 Cb 0.30 -3.90 0.00 0.00 -0.02 0.00 0.00 35.03 31.41 2icc n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2icc n GLY 16 N -1.41 2.06 3.37 0.72 0.00 -0.16 -4.25 105.19 105.52 2icc n GLY 16 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 2icc n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2icc s ASP 17 N -0.94 3.09 0.08 1.61 1.01 -1.26 -0.70 116.67 119.55 2icc s ASP 17 Ca 0.00 -0.78 -0.18 0.00 0.71 0.00 0.00 52.55 52.31 2icc s ASP 17 Cb 0.00 -0.20 0.04 0.00 1.01 0.00 0.00 42.92 43.76 2icc s ASP 17 CO 0.00 0.11 0.42 0.54 0.21 0.00 0.00 175.17 176.45 2icc s VAL 18 N -1.35 0.06 -0.15 -1.27 0.11 -0.56 -4.53 120.40 112.71 2icc s VAL 18 Ca 0.14 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.63 2icc s VAL 18 Cb -0.09 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 2icc s VAL 18 CO 0.07 -0.27 0.10 0.20 -3.33 0.00 0.00 175.10 171.87 2icc s ASN 19 N -2.32 5.98 -0.54 3.54 -0.87 -1.26 -1.43 114.94 118.03 2icc s ASN 19 Ca -0.02 0.25 -0.17 0.00 -1.57 0.00 0.00 52.86 51.36 2icc s ASN 19 Cb 0.00 -1.97 0.11 0.00 -0.02 0.00 0.00 41.25 39.38 2icc s ASN 19 CO -0.06 0.28 0.54 -0.76 -2.57 0.00 0.00 177.10 174.53 2icc s LEU 20 N -0.25 5.85 0.35 0.60 1.43 0.98 -4.96 118.68 122.68 2icc s LEU 20 Ca 0.10 -1.59 -0.28 0.00 -1.03 0.00 0.00 54.13 51.32 2icc s LEU 20 Cb -0.12 -2.24 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 2icc s LEU 20 CO 0.01 -0.89 1.31 -2.84 0.23 0.00 0.00 176.35 174.17 2icc s PRO 21 N 1.92 4.26 -0.24 1.29 0.02 -1.26 -1.49 135.00 139.49 2icc s PRO 21 Ca 0.06 2.20 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 2icc s PRO 21 Cb -0.27 -2.99 0.13 0.00 0.02 0.00 0.00 34.50 31.39 2icc s PRO 21 CO 0.05 -0.26 0.37 0.00 -0.33 0.00 0.00 177.00 176.82 2icc s THR 23 N 2.53 0.64 0.08 0.00 -4.23 -0.77 -0.99 115.64 112.90 2icc s THR 23 Ca 0.12 -1.96 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 2icc s THR 23 Cb -0.15 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.74 2icc s THR 23 CO -0.15 -0.60 0.40 -0.72 -0.54 0.00 0.00 174.62 173.01 2icc s TYR 24 N -3.68 -0.22 -0.31 3.99 -0.85 0.10 0.22 117.35 116.61 2icc s TYR 24 Ca 0.20 0.03 -0.23 0.00 -0.52 0.00 0.00 57.07 56.55 2icc s TYR 24 Cb 0.06 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.63 2icc s TYR 24 CO 0.01 -0.63 0.78 0.34 -1.52 0.00 0.00 175.55 174.53 2icc s ASP 25 N -2.42 6.64 0.32 -0.18 2.15 -1.26 -4.40 116.67 117.51 2icc s ASP 25 Ca -0.01 0.61 -0.29 0.00 0.43 0.00 0.00 52.55 53.29 2icc s ASP 25 Cb 0.01 -2.40 -0.11 0.00 -0.30 0.00 0.00 42.92 40.11 2icc s ASP 25 CO -0.07 -0.62 1.57 -2.84 -0.17 0.00 0.00 175.17 173.04 2icc s PRO 26 N 2.96 4.11 -0.05 4.34 0.02 -1.26 -4.82 135.00 140.31 2icc s PRO 26 Ca 0.32 2.60 -0.00 0.00 0.02 0.00 0.00 61.00 63.93 2icc s PRO 26 Cb -0.14 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 2icc s PRO 26 CO 0.13 -0.62 -0.00 -0.51 -0.33 0.00 0.00 177.00 175.67 2icc s LEU 27 N -0.97 3.51 0.21 -5.54 1.43 -1.26 -5.06 118.68 111.00 2icc s LEU 27 Ca 0.60 0.06 -0.32 0.00 -1.03 0.00 0.00 54.13 53.45 2icc s LEU 27 Cb -0.48 -1.90 -0.12 0.00 0.03 0.00 0.00 46.19 43.72 2icc s LEU 27 CO 0.53 0.33 1.71 0.00 0.23 0.00 0.00 176.35 179.15 2icc n GLN 28 N 1.81 2.74 -0.63 1.70 6.02 -1.26 -2.20 117.38 125.57 2icc n GLN 28 Ca -0.17 0.99 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 2icc n GLN 28 Cb 0.53 -2.83 0.00 0.00 1.02 0.00 0.00 30.24 28.96 2icc n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2icc n GLY 29 N 3.80 0.81 3.83 1.08 0.00 -1.26 -4.91 105.19 108.55 2icc n GLY 29 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2icc n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2icc s TYR 30 N -3.18 3.53 -0.18 1.61 1.51 -0.93 -2.84 117.35 116.86 2icc s TYR 30 Ca 0.00 0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 56.52 2icc s TYR 30 Cb 0.00 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 2icc s TYR 30 CO 0.00 0.61 -0.14 0.99 -1.11 0.00 0.00 175.55 175.91 2icc s THR 31 N -0.67 2.67 -0.01 -0.71 2.01 -0.41 -4.81 115.64 113.70 2icc s THR 31 Ca 0.13 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 2icc s THR 31 Cb -0.12 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2icc s THR 31 CO 0.02 0.50 1.36 -1.58 -0.69 0.00 0.00 174.62 174.23 2icc s GLN 32 N 1.16 4.30 -0.00 4.92 0.74 -1.26 -0.83 119.66 128.69 2icc s GLN 32 Ca 0.01 1.91 0.02 0.00 0.05 0.00 0.00 55.36 57.35 2icc s GLN 32 Cb -0.14 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 2icc s GLN 32 CO -0.05 -0.55 0.06 1.33 -0.55 0.00 0.00 175.29 175.52 2icc n VAL 33 N 4.66 0.00 -3.68 1.34 0.24 -0.02 -4.94 118.33 115.93 2icc n VAL 33 Ca 0.13 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 2icc n VAL 33 Cb 0.44 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.34 2icc n VAL 33 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2icc s LEU 34 N -2.84 -0.10 -0.04 1.34 2.96 -1.15 -4.58 118.68 114.28 2icc s LEU 34 Ca -0.00 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2icc s LEU 34 Cb 0.01 1.91 0.00 0.00 0.50 0.00 0.00 46.19 48.61 2icc s LEU 34 CO 0.08 -0.23 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.06 2icc s VAL 35 N 0.10 1.14 0.00 1.68 1.01 -0.68 -1.28 120.40 122.37 2icc s VAL 35 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2icc s VAL 35 Cb -0.04 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2icc s VAL 35 CO 0.02 0.34 -0.13 -0.54 0.00 0.00 0.00 175.10 174.79 2icc s LYS 36 N 0.27 1.03 -0.08 2.72 1.02 0.11 -0.79 119.74 124.01 2icc s LYS 36 Ca -0.07 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.40 2icc s LYS 36 Cb -0.12 -1.00 -0.02 0.00 -0.52 0.00 0.00 37.83 36.17 2icc s LYS 36 CO 0.02 0.27 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.00 2icc s TRP 37 N -0.45 2.75 0.19 3.18 0.52 -0.45 -0.92 118.94 123.76 2icc s TRP 37 Ca 0.04 -0.34 0.08 0.00 0.02 0.00 0.00 56.10 55.91 2icc s TRP 37 Cb -0.06 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2icc s TRP 37 CO -0.00 0.04 -0.17 -0.51 0.02 0.00 0.00 176.95 176.33 2icc s LEU 38 N -0.32 2.50 0.07 2.99 1.02 -0.11 -0.85 118.68 123.97 2icc s LEU 38 Ca 0.03 -0.94 0.05 0.00 0.02 0.00 0.00 54.13 53.29 2icc s LEU 38 Cb -0.13 -0.77 -0.03 0.00 0.02 0.00 0.00 46.19 45.29 2icc s LEU 38 CO 0.02 -0.09 -0.13 0.54 0.02 0.00 0.00 176.35 176.71 2icc s VAL 39 N -2.46 1.02 -0.61 -1.59 0.11 -0.24 -0.87 120.40 115.77 2icc s VAL 39 Ca 0.19 -1.28 0.05 0.00 -2.93 0.00 0.00 61.98 58.01 2icc s VAL 39 Cb -0.04 -1.01 0.18 0.00 -1.53 0.00 0.00 36.38 33.98 2icc s VAL 39 CO 0.07 -0.26 0.46 1.67 -3.33 0.00 0.00 175.10 173.71 2icc n GLN 40 N 1.28 1.34 0.17 1.54 7.27 -0.49 -1.09 117.38 127.41 2icc n GLN 40 Ca -0.21 -4.07 0.04 0.00 0.07 0.00 0.00 57.00 52.83 2icc n GLN 40 Cb 0.54 -2.07 0.28 0.00 2.41 0.00 0.00 30.24 31.40 2icc n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2icc h ARG 41 N 5.37 0.00 0.00 3.69 2.47 -1.86 -3.40 114.38 120.66 2icc h ARG 41 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2icc h ARG 41 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2icc h ARG 41 CO 0.61 0.44 0.00 0.41 0.56 0.00 0.00 179.97 181.99 2icc n GLY 42 N 0.31 2.13 0.07 0.04 0.00 -1.26 -5.05 105.19 101.42 2icc n GLY 42 Ca -0.00 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.77 2icc n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2icc n SER 43 N 0.00 0.66 -3.86 1.61 7.64 -1.26 -4.93 113.62 113.48 2icc n SER 43 Ca 0.00 0.08 -0.11 0.00 1.01 0.00 0.00 58.87 59.85 2icc n SER 43 Cb 0.00 0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 63.76 2icc n SER 43 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2icc s ASP 44 N -4.59 0.02 0.40 6.43 1.01 -1.26 -5.15 116.67 113.52 2icc s ASP 44 Ca 0.01 -0.22 -0.26 0.00 0.71 0.00 0.00 52.55 52.80 2icc s ASP 44 Cb 0.12 0.22 -0.09 0.00 1.01 0.00 0.00 42.92 44.19 2icc s ASP 44 CO 0.79 -0.40 1.26 -2.16 0.21 0.00 0.00 175.17 174.87 2icc s PRO 45 N -1.55 4.03 0.05 8.23 0.04 -1.26 -4.72 135.00 139.81 2icc s PRO 45 Ca -0.13 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2icc s PRO 45 Cb -0.07 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 2icc s PRO 45 CO 0.01 -0.41 -0.22 0.14 0.04 0.00 0.00 177.00 176.56 2icc s VAL 46 N -1.29 1.79 -0.01 -0.36 -7.23 -0.25 -4.92 120.40 108.14 2icc s VAL 46 Ca 0.56 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2icc s VAL 46 Cb -0.36 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2icc s VAL 46 CO 0.46 0.24 1.20 -0.89 -0.31 0.00 0.00 175.10 175.81 2icc s THR 47 N -0.81 4.18 -0.03 5.32 2.01 -1.26 -1.08 115.64 123.97 2icc s THR 47 Ca 0.09 1.53 0.15 0.00 0.31 0.00 0.00 61.69 63.77 2icc s THR 47 Cb -0.09 -3.98 -0.24 0.00 0.01 0.00 0.00 72.50 68.20 2icc s THR 47 CO 0.02 0.05 0.31 2.30 -0.69 0.00 0.00 174.62 176.61 2icc n ILE 48 N 4.34 0.09 -3.72 1.82 -5.35 -0.02 -4.69 119.36 111.83 2icc n ILE 48 Ca 0.10 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 2icc n ILE 48 Cb 0.46 0.07 -0.10 0.00 -1.74 0.00 0.00 39.64 38.34 2icc n ILE 48 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2icc s PHE 49 N -3.01 -0.51 -0.02 4.28 5.36 -1.06 -1.26 117.98 121.76 2icc s PHE 49 Ca -0.06 1.20 0.02 0.00 -0.96 0.00 0.00 56.93 57.12 2icc s PHE 49 Cb 0.09 0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.97 2icc s PHE 49 CO 0.64 -0.25 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.93 2icc s LEU 50 N 0.44 1.74 -0.18 6.12 2.96 -0.60 -1.34 118.68 127.82 2icc s LEU 50 Ca -0.02 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2icc s LEU 50 Cb -0.04 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.32 2icc s LEU 50 CO -0.02 0.02 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.27 2icc s ARG 51 N 0.26 3.09 0.00 1.98 3.52 0.03 -0.53 118.95 127.31 2icc s ARG 51 Ca -0.03 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 2icc s ARG 51 Cb -0.07 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2icc s ARG 51 CO -0.00 -0.17 0.00 -0.40 -0.81 0.00 0.00 175.30 173.92 2icc n ASP 52 N 4.55 0.11 0.27 -2.12 5.68 -0.64 -1.69 116.55 122.70 2icc n ASP 52 Ca -0.20 -0.19 0.18 0.00 -0.50 0.00 0.00 54.79 54.07 2icc n ASP 52 Cb 0.50 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.35 2icc n ASP 52 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2icc h SER 53 N 0.00 0.00 -0.30 -1.12 4.64 -2.00 -1.02 113.55 113.75 2icc h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2icc h SER 53 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2icc h SER 53 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 2icc n SER 54 N -2.85 2.72 0.00 4.97 3.41 -1.26 -5.07 113.62 115.53 2icc n SER 54 Ca -0.01 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 2icc n SER 54 Cb 0.16 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2icc n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2icc n GLY 55 N 1.35 0.11 3.87 5.00 0.00 -0.39 -5.00 105.19 110.12 2icc n GLY 55 Ca 0.18 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 2icc n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2icc s ASP 56 N -4.00 6.54 -0.15 1.61 1.11 -1.26 -1.62 116.67 118.90 2icc s ASP 56 Ca 0.00 0.64 -0.03 0.00 0.18 0.00 0.00 52.55 53.34 2icc s ASP 56 Cb 0.00 -2.13 0.05 0.00 1.07 0.00 0.00 42.92 41.91 2icc s ASP 56 CO 0.00 0.37 0.05 -1.00 1.18 0.00 0.00 175.17 175.77 2icc s HIS 57 N -1.07 0.54 -0.15 4.23 3.76 0.31 -5.01 115.29 117.90 2icc s HIS 57 Ca 0.19 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.54 2icc s HIS 57 Cb -0.14 -0.80 -0.04 0.00 1.11 0.00 0.00 32.58 32.71 2icc s HIS 57 CO 0.08 -0.47 0.38 0.42 -0.85 0.00 0.00 174.74 174.30 2icc s ILE 58 N 2.02 5.24 -2.40 0.60 1.01 -1.26 -1.56 121.20 124.84 2icc s ILE 58 Ca 0.02 0.74 0.23 0.00 0.00 0.00 0.00 60.65 61.64 2icc s ILE 58 Cb -0.15 -3.72 0.07 0.00 0.01 0.00 0.00 42.46 38.66 2icc s ILE 58 CO -0.07 0.34 1.15 0.00 0.00 0.00 0.00 174.94 176.36 2icc n GLN 59 N 3.74 1.66 -3.93 2.79 1.13 -0.39 -4.86 117.38 117.52 2icc n GLN 59 Ca -0.09 -1.37 -0.14 0.00 -1.94 0.00 0.00 57.00 53.46 2icc n GLN 59 Cb 0.52 -1.47 -0.14 0.00 0.11 0.00 0.00 30.24 29.26 2icc n GLN 59 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2icc s GLN 60 N -2.27 0.12 0.50 -1.09 -0.21 -1.26 -4.99 119.66 110.46 2icc s GLN 60 Ca 0.22 -0.02 0.15 0.00 0.02 0.00 0.00 55.36 55.73 2icc s GLN 60 Cb 0.19 -0.16 1.21 0.00 1.00 0.00 0.00 33.01 35.25 2icc s GLN 60 CO 0.46 -0.00 2.13 0.00 -2.12 0.00 0.00 175.29 175.76 2icc h ALA 61 N 6.32 1.97 0.00 6.09 0.00 -1.97 -1.88 119.26 129.79 2icc h ALA 61 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2icc h ALA 61 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2icc h ALA 61 CO 0.50 0.03 0.00 0.36 0.00 0.00 0.00 179.25 180.14 2icc n LYS 62 N -4.53 0.18 0.00 0.00 2.85 -1.26 -1.76 118.16 113.64 2icc n LYS 62 Ca -0.02 0.53 0.11 0.00 -1.05 0.00 0.00 58.31 57.88 2icc n LYS 62 Cb 0.10 -1.93 -0.08 0.00 -0.65 0.00 0.00 35.03 32.46 2icc n LYS 62 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2icc n TYR 63 N -2.29 0.07 -2.23 5.58 4.01 -0.71 -4.81 117.16 116.78 2icc n TYR 63 Ca 0.00 0.02 -0.43 0.00 -0.16 0.00 0.00 57.90 57.34 2icc n TYR 63 Cb 0.15 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 38.90 2icc n TYR 63 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2icc s GLN 64 N -3.18 3.44 0.00 -0.72 -1.52 -0.72 -0.60 119.66 116.35 2icc s GLN 64 Ca 0.03 1.04 0.00 0.00 -1.95 0.00 0.00 55.36 54.48 2icc s GLN 64 Cb 0.15 -4.10 0.00 0.00 -0.22 0.00 0.00 33.01 28.84 2icc s GLN 64 CO 0.86 -1.73 0.00 0.41 -0.25 0.00 0.00 175.29 174.57 2icc n GLY 65 N 5.23 0.58 0.00 3.09 0.00 -1.26 -4.93 105.19 107.89 2icc n GLY 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2icc n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2icc n ARG 66 N -1.38 4.23 -4.13 1.61 1.74 0.23 -4.98 116.66 113.99 2icc n ARG 66 Ca 0.00 -0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 56.80 2icc n ARG 66 Cb 0.00 -0.39 -0.17 0.00 -1.02 0.00 0.00 32.46 30.88 2icc n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2icc s LEU 67 N -1.23 1.28 0.08 0.55 0.20 -0.81 -0.99 118.68 117.76 2icc s LEU 67 Ca 0.00 -0.25 -0.01 0.00 0.69 0.00 0.00 54.13 54.56 2icc s LEU 67 Cb 0.00 -0.74 -0.04 0.00 -0.43 0.00 0.00 46.19 44.98 2icc s LEU 67 CO 0.00 -0.07 -0.00 -1.00 -0.29 0.00 0.00 176.35 174.98 2icc s HIS 68 N 1.32 0.65 -0.05 5.38 3.76 -0.36 -4.95 115.29 121.04 2icc s HIS 68 Ca -0.03 -1.11 0.04 0.00 -0.15 0.00 0.00 55.06 53.80 2icc s HIS 68 Cb -0.14 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 33.13 2icc s HIS 68 CO -0.03 -0.41 -0.16 0.08 -0.85 0.00 0.00 174.74 173.37 2icc s VAL 69 N -3.94 1.33 0.52 -0.90 1.01 -1.26 0.08 120.40 117.24 2icc s VAL 69 Ca 0.13 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 2icc s VAL 69 Cb 0.08 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2icc s VAL 69 CO -0.06 0.39 1.08 -1.20 0.00 0.00 0.00 175.10 175.31 2icc n SER 70 N 3.33 1.45 0.00 3.32 7.64 -0.08 -4.93 113.62 124.35 2icc n SER 70 Ca -0.19 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.62 2icc n SER 70 Cb 0.53 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2icc n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2icc n HIS 71 N -1.10 0.00 -0.18 1.43 1.44 -1.26 -4.40 115.22 111.15 2icc n HIS 71 Ca 0.11 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.73 2icc n HIS 71 Cb 0.44 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.56 2icc n HIS 71 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2icc h LYS 72 N 0.00 0.89 -5.29 -1.40 1.57 -1.92 -3.41 116.57 107.01 2icc h LYS 72 Ca 0.00 -0.26 -0.61 0.00 -1.87 0.00 0.00 60.65 57.91 2icc h LYS 72 Cb 0.00 -0.09 -0.13 0.00 0.08 0.00 0.00 32.23 32.09 2icc h LYS 72 CO 0.00 0.89 -0.22 0.08 -0.57 0.00 0.00 179.45 179.63 2icc s VAL 73 N -5.11 5.19 0.27 0.50 1.01 -1.26 -5.05 120.40 115.94 2icc s VAL 73 Ca -0.12 0.64 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 2icc s VAL 73 Cb 0.12 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.66 2icc s VAL 73 CO 0.82 0.21 1.54 -2.65 0.00 0.00 0.00 175.10 175.01 2icc n PRO 74 N 4.89 2.45 -0.26 2.72 -0.02 -1.26 -1.51 135.00 142.01 2icc n PRO 74 Ca -0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2icc n PRO 74 Cb 0.51 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2icc n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2icc n GLY 75 N 2.30 1.33 3.31 -1.23 0.00 -1.26 -4.72 105.19 104.93 2icc n GLY 75 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2icc n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2icc s ASP 76 N -3.10 5.61 -0.27 1.61 -1.08 -0.57 -0.72 116.67 118.16 2icc s ASP 76 Ca 0.00 -1.22 0.10 0.00 -0.52 0.00 0.00 52.55 50.91 2icc s ASP 76 Cb 0.00 -1.98 0.46 0.00 -1.46 0.00 0.00 42.92 39.94 2icc s ASP 76 CO 0.00 -0.43 1.19 1.33 0.52 0.00 0.00 175.17 177.78 2icc n VAL 77 N 4.93 2.29 -1.86 1.11 0.24 -0.16 -4.02 118.33 120.86 2icc n VAL 77 Ca -0.11 -3.84 -0.38 0.00 -2.04 0.00 0.00 64.34 57.96 2icc n VAL 77 Cb 0.44 -0.69 0.04 0.00 -1.47 0.00 0.00 33.84 32.16 2icc n VAL 77 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2icc s SER 78 N -3.52 5.34 -0.17 -1.34 0.01 -1.16 -4.60 113.70 108.27 2icc s SER 78 Ca 0.46 2.67 -0.15 0.00 1.31 0.00 0.00 55.95 60.24 2icc s SER 78 Cb 0.39 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2icc s SER 78 CO 0.01 -1.52 0.37 -0.22 0.41 0.00 0.00 173.24 172.29 2icc s LEU 79 N -3.55 4.22 -0.30 2.44 2.96 -0.56 -0.90 118.68 123.00 2icc s LEU 79 Ca 0.72 0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 55.14 2icc s LEU 79 Cb -0.38 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 43.84 2icc s LEU 79 CO 0.45 0.02 0.07 -1.10 -1.32 0.00 0.00 176.35 174.47 2icc s GLN 80 N 0.78 3.02 -0.12 1.98 -0.21 0.11 -0.01 119.66 125.21 2icc s GLN 80 Ca 0.19 -0.90 -0.00 0.00 0.02 0.00 0.00 55.36 54.67 2icc s GLN 80 Cb -0.14 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.49 2icc s GLN 80 CO 0.07 -0.47 -0.10 -1.17 -2.12 0.00 0.00 175.29 171.50 2icc s LEU 81 N 1.48 2.92 0.25 2.90 2.96 -0.51 -1.22 118.68 127.45 2icc s LEU 81 Ca 0.02 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.81 2icc s LEU 81 Cb -0.17 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2icc s LEU 81 CO 0.02 0.22 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.30 2icc s SER 82 N 0.06 4.45 -0.91 3.68 1.04 -0.16 -1.49 113.70 120.38 2icc s SER 82 Ca -0.03 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 2icc s SER 82 Cb -0.14 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.18 2icc s SER 82 CO 0.04 0.02 0.68 0.41 0.98 0.00 0.00 173.24 175.37 2icc n THR 83 N -0.70 -5.67 -1.79 2.02 -1.04 -0.09 -4.85 114.28 102.15 2icc n THR 83 Ca -0.07 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 2icc n THR 83 Cb 0.58 -4.26 -0.03 0.00 -1.82 0.00 0.00 70.33 64.80 2icc n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2icc s LEU 84 N -5.26 4.37 0.15 -4.42 1.43 0.12 -4.70 118.68 110.37 2icc s LEU 84 Ca 0.15 2.82 0.02 0.00 -1.03 0.00 0.00 54.13 56.09 2icc s LEU 84 Cb -0.06 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2icc s LEU 84 CO 0.86 -0.92 0.29 -1.61 0.23 0.00 0.00 176.35 175.20 2icc s GLU 85 N 0.85 3.44 0.35 1.70 0.41 -1.26 -0.25 118.70 123.95 2icc s GLU 85 Ca 0.71 -0.58 0.08 0.00 -0.41 0.00 0.00 54.97 54.77 2icc s GLU 85 Cb -0.48 -2.96 0.79 0.00 -1.78 0.00 0.00 34.13 29.70 2icc s GLU 85 CO 0.35 0.51 1.88 0.52 -0.49 0.00 0.00 175.26 178.03 2icc h MET 86 N 2.13 0.71 0.00 1.61 2.86 -1.96 -0.62 114.93 119.66 2icc h MET 86 Ca -0.48 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2icc h MET 86 Cb 1.19 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2icc h MET 86 CO 0.69 0.47 0.00 -0.25 1.06 0.00 0.00 176.91 178.87 2icc n ASP 87 N -4.55 0.00 0.00 1.22 8.00 -1.26 -2.23 116.55 117.73 2icc n ASP 87 Ca 0.17 -0.28 0.14 0.00 0.71 0.00 0.00 54.79 55.52 2icc n ASP 87 Cb 0.43 -0.17 0.60 0.00 -0.02 0.00 0.00 41.12 41.95 2icc n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2icc n ASP 88 N -1.17 0.01 -4.66 -2.24 8.00 -0.24 -4.79 116.55 111.46 2icc n ASP 88 Ca 0.13 0.50 -0.42 0.00 0.71 0.00 0.00 54.79 55.71 2icc n ASP 88 Cb 0.13 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 2icc n ASP 88 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2icc s ARG 89 N -3.00 4.13 -0.02 -1.24 3.52 -0.95 -4.83 118.95 116.57 2icc s ARG 89 Ca 0.14 2.44 -0.29 0.00 -0.13 0.00 0.00 55.73 57.88 2icc s ARG 89 Cb 0.18 -4.10 0.11 0.00 -1.56 0.00 0.00 34.95 29.58 2icc s ARG 89 CO 0.52 -0.94 1.29 0.45 -0.81 0.00 0.00 175.30 175.81 2icc s SER 90 N 4.10 -0.02 -0.17 -2.12 0.15 -1.14 -4.99 113.70 109.52 2icc s SER 90 Ca 0.83 -0.17 -0.17 0.00 0.70 0.00 0.00 55.95 57.13 2icc s SER 90 Cb -0.39 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 2icc s SER 90 CO 0.37 -0.29 0.46 -1.00 1.20 0.00 0.00 173.24 173.98 2icc s HIS 91 N -2.17 3.43 0.02 3.44 3.76 -1.26 -1.23 115.29 121.29 2icc s HIS 91 Ca 0.23 0.77 0.05 0.00 -0.15 0.00 0.00 55.06 55.95 2icc s HIS 91 Cb 0.02 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.10 2icc s HIS 91 CO -0.02 0.04 -0.10 0.71 -0.85 0.00 0.00 174.74 174.52 2icc s TYR 92 N 1.13 2.79 -0.12 1.40 2.02 0.23 -1.39 117.35 123.41 2icc s TYR 92 Ca 0.23 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 2icc s TYR 92 Cb -0.15 -1.55 -0.00 0.00 -0.40 0.00 0.00 41.96 39.85 2icc s TYR 92 CO 0.09 0.35 -0.20 0.99 -1.57 0.00 0.00 175.55 175.21 2icc s THR 93 N -1.00 2.34 -0.22 -0.71 2.01 -0.05 -0.60 115.64 117.41 2icc s THR 93 Ca 0.17 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 2icc s THR 93 Cb -0.11 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2icc s THR 93 CO 0.08 0.55 0.29 0.00 -0.69 0.00 0.00 174.62 174.84 2icc s GLU 95 N 1.22 1.52 -0.02 0.00 2.12 -0.10 -1.51 118.70 121.93 2icc s GLU 95 Ca 0.14 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.24 2icc s GLU 95 Cb -0.14 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.78 2icc s GLU 95 CO 0.06 -0.14 -0.23 0.08 -0.54 0.00 0.00 175.26 174.49 2icc s VAL 96 N 1.26 1.80 -0.09 3.70 1.01 -0.32 -0.72 120.40 127.05 2icc s VAL 96 Ca -0.04 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2icc s VAL 96 Cb -0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2icc s VAL 96 CO -0.03 0.51 -0.19 -0.89 0.00 0.00 0.00 175.10 174.50 2icc s THR 97 N -0.45 2.54 0.07 3.92 2.01 -0.41 -1.43 115.64 121.89 2icc s THR 97 Ca 0.07 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.28 2icc s THR 97 Cb -0.10 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2icc s THR 97 CO -0.00 0.56 -0.22 0.26 -0.69 0.00 0.00 174.62 174.53 2icc s TRP 98 N 0.02 1.90 0.17 4.92 0.51 -0.24 -0.84 118.94 125.39 2icc s TRP 98 Ca -0.07 -0.39 -0.27 0.00 -2.12 0.00 0.00 56.10 53.24 2icc s TRP 98 Cb -0.15 -1.10 -0.08 0.00 -0.81 0.00 0.00 33.47 31.34 2icc s TRP 98 CO 0.05 0.15 0.85 -0.65 -0.51 0.00 0.00 176.95 176.85 2icc s GLN 99 N -1.49 4.67 0.39 4.98 -1.52 -0.01 -1.03 119.66 125.66 2icc s GLN 99 Ca 0.08 1.30 0.08 0.00 -1.95 0.00 0.00 55.36 54.87 2icc s GLN 99 Cb -0.09 -3.30 -0.01 0.00 -0.22 0.00 0.00 33.01 29.39 2icc s GLN 99 CO 0.03 0.47 0.41 0.95 -0.25 0.00 0.00 175.29 176.90 2icc s THR 100 N -0.87 3.05 0.50 -0.19 -4.23 -0.27 -1.28 115.64 112.35 2icc s THR 100 Ca 0.39 -1.24 0.23 0.00 -1.18 0.00 0.00 61.69 59.89 2icc s THR 100 Cb -0.24 -3.08 0.39 0.00 1.34 0.00 0.00 72.50 70.91 2icc s THR 100 CO 0.28 -0.05 1.98 -0.65 -0.54 0.00 0.00 174.62 175.64 2icc h PRO 101 N 0.98 0.11 -0.01 3.99 0.11 -1.86 -0.71 132.00 134.61 2icc h PRO 101 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2icc h PRO 101 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2icc h PRO 101 CO 0.54 0.07 -0.04 -0.25 -0.21 0.00 0.00 178.00 178.11 2icc n ASP 102 N -4.40 0.60 0.00 -2.05 8.00 -1.26 -4.93 116.55 112.51 2icc n ASP 102 Ca 0.11 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2icc n ASP 102 Cb 0.59 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2icc n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2icc n GLY 103 N 1.16 0.77 3.91 0.44 0.00 -0.27 -5.06 105.19 106.13 2icc n GLY 103 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2icc n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2icc s ASN 104 N -2.64 3.70 0.03 1.61 6.03 -1.26 -4.75 114.94 117.66 2icc s ASN 104 Ca 0.00 0.52 0.09 0.00 -1.03 0.00 0.00 52.86 52.44 2icc s ASN 104 Cb 0.00 -0.77 -0.03 0.00 -3.03 0.00 0.00 41.25 37.42 2icc s ASN 104 CO 0.00 -2.39 -0.26 -1.10 -2.03 0.00 0.00 177.10 171.32 2icc s GLN 105 N -5.73 1.83 0.05 3.55 -0.21 -1.26 -1.11 119.66 116.77 2icc s GLN 105 Ca 0.68 -1.07 0.06 0.00 0.02 0.00 0.00 55.36 55.06 2icc s GLN 105 Cb -0.07 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 2icc s GLN 105 CO 0.51 0.51 -0.17 0.14 -2.12 0.00 0.00 175.29 174.17 2icc s VAL 106 N -0.77 1.33 -0.03 1.09 -7.23 -0.20 -4.99 120.40 109.61 2icc s VAL 106 Ca 0.11 -1.14 0.06 0.00 -1.81 0.00 0.00 61.98 59.21 2icc s VAL 106 Cb -0.10 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.63 2icc s VAL 106 CO 0.01 0.04 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.94 2icc s VAL 107 N -0.90 1.75 0.05 1.32 1.01 -1.26 -1.08 120.40 121.29 2icc s VAL 107 Ca 0.03 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2icc s VAL 107 Cb -0.08 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2icc s VAL 107 CO 0.02 0.49 -0.13 -0.13 0.00 0.00 0.00 175.10 175.35 2icc s ARG 108 N -0.31 0.85 0.16 2.72 1.81 -0.51 -5.01 118.95 118.66 2icc s ARG 108 Ca 0.03 -0.78 -0.00 0.00 -1.72 0.00 0.00 55.73 53.26 2icc s ARG 108 Cb -0.10 -0.84 -0.04 0.00 -0.45 0.00 0.00 34.95 33.52 2icc s ARG 108 CO 0.01 0.20 0.06 0.16 -0.68 0.00 0.00 175.30 175.05 2icc s ASP 109 N -1.28 0.51 -0.08 0.23 1.47 -1.26 -1.17 116.67 115.09 2icc s ASP 109 Ca -0.00 -1.25 -0.21 0.00 1.18 0.00 0.00 52.55 52.27 2icc s ASP 109 Cb -0.08 0.27 0.05 0.00 -0.34 0.00 0.00 42.92 42.81 2icc s ASP 109 CO 0.01 -0.72 0.49 -0.54 0.68 0.00 0.00 175.17 175.09 2icc s LYS 110 N -4.04 0.76 -0.06 2.11 1.02 -0.57 -5.00 119.74 113.97 2icc s LYS 110 Ca 0.28 0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.49 2icc s LYS 110 Cb 0.07 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.70 2icc s LYS 110 CO 0.05 -0.19 0.03 0.42 -0.92 0.00 0.00 175.35 174.74 2icc s ILE 111 N -0.76 4.47 0.10 2.17 1.01 -1.26 -1.17 121.20 125.76 2icc s ILE 111 Ca -0.08 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.31 2icc s ILE 111 Cb -0.03 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 2icc s ILE 111 CO 0.05 0.51 -0.12 0.28 0.00 0.00 0.00 174.94 175.66 2icc s THR 112 N -1.00 1.10 -0.21 2.92 -1.32 0.23 -4.69 115.64 112.67 2icc s THR 112 Ca 0.16 -1.56 -0.08 0.00 -1.21 0.00 0.00 61.69 59.01 2icc s THR 112 Cb -0.12 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 2icc s THR 112 CO 0.06 -0.42 0.09 -0.70 -2.21 0.00 0.00 174.62 171.45 2icc s GLU 113 N -2.43 3.94 -0.22 7.08 2.12 -0.55 -0.60 118.70 128.04 2icc s GLU 113 Ca 0.04 -0.35 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 2icc s GLU 113 Cb -0.06 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2icc s GLU 113 CO 0.02 0.12 0.36 -1.17 -0.54 0.00 0.00 175.26 174.05 2icc s LEU 114 N 0.82 4.12 -0.06 2.70 2.96 -0.36 -0.78 118.68 128.07 2icc s LEU 114 Ca 0.05 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 2icc s LEU 114 Cb -0.13 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 2icc s LEU 114 CO 0.02 -0.09 0.02 -0.13 -1.32 0.00 0.00 176.35 174.86 2icc s ARG 115 N 1.49 2.99 -0.20 1.98 0.52 0.10 -2.89 118.95 122.94 2icc s ARG 115 Ca 0.16 -0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 2icc s ARG 115 Cb -0.15 -2.81 0.01 0.00 0.52 0.00 0.00 34.95 32.52 2icc s ARG 115 CO 0.08 0.69 -0.12 0.08 0.02 0.00 0.00 175.30 176.04 2icc s VAL 116 N -0.97 2.65 -0.21 3.52 1.01 -1.26 -1.08 120.40 124.06 2icc s VAL 116 Ca 0.16 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 2icc s VAL 116 Cb -0.11 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2icc s VAL 116 CO 0.05 0.46 0.08 -1.58 0.00 0.00 0.00 175.10 174.10 2icc s GLN 117 N 1.37 3.87 0.00 2.72 0.74 0.21 -4.84 119.66 123.72 2icc s GLN 117 Ca 0.05 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.08 2icc s GLN 117 Cb -0.14 -3.29 0.09 0.00 1.10 0.00 0.00 33.01 30.77 2icc s GLN 117 CO -0.08 0.08 0.58 1.63 -0.55 0.00 0.00 175.29 176.95