#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llc s PRO 7 N 0.00 3.22 0.08 5.56 0.04 -1.26 -4.79 135.00 137.84 3llc s PRO 7 Ca 0.00 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 3llc s PRO 7 Cb 0.00 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 3llc s PRO 7 CO 0.00 -0.88 1.24 0.42 0.04 0.00 0.00 177.00 177.82 3llc s ILE 8 N -2.88 3.86 0.05 0.56 1.01 -1.26 -4.46 121.20 118.07 3llc s ILE 8 Ca 0.59 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.65 3llc s ILE 8 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 3llc s ILE 8 CO 0.48 0.11 -0.14 -1.61 0.00 0.00 0.00 174.94 173.78 3llc s GLU 9 N 1.00 2.14 -0.16 2.79 2.02 0.82 -4.92 118.70 122.39 3llc s GLU 9 Ca 0.60 -0.96 -0.09 0.00 0.02 0.00 0.00 54.97 54.54 3llc s GLU 9 Cb -0.31 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 3llc s GLU 9 CO 0.30 0.54 0.13 0.95 0.02 0.00 0.00 175.26 177.20 3llc s THR 10 N -1.02 5.43 0.06 3.63 -4.23 -1.26 -1.11 115.64 117.13 3llc s THR 10 Ca 0.17 0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.89 3llc s THR 10 Cb -0.11 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 3llc s THR 10 CO 0.08 0.52 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.60 3llc s HIS 11 N -0.28 0.79 -0.08 3.99 3.76 -0.43 -5.02 115.29 118.02 3llc s HIS 11 Ca 0.11 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 3llc s HIS 11 Cb -0.11 -0.46 0.01 0.00 1.11 0.00 0.00 32.58 33.12 3llc s HIS 11 CO 0.01 -0.08 -0.19 0.00 -0.85 0.00 0.00 174.74 173.63 3llc s ALA 12 N -1.89 1.79 -0.12 -1.40 0.00 -1.26 -1.48 121.76 117.40 3llc s ALA 12 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3llc s ALA 12 Cb -0.06 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3llc s ALA 12 CO -0.00 0.22 -0.22 0.42 0.00 0.00 0.00 175.76 176.17 3llc s ILE 13 N 0.46 2.03 -0.04 0.00 1.09 -0.11 -4.92 121.20 119.71 3llc s ILE 13 Ca -0.17 -0.98 -0.28 0.00 -1.10 0.00 0.00 60.65 58.13 3llc s ILE 13 Cb -0.17 -1.78 -0.03 0.00 -1.06 0.00 0.00 42.46 39.42 3llc s ILE 13 CO 0.07 0.55 0.89 -0.89 -0.10 0.00 0.00 174.94 175.46 3llc s THR 14 N 0.63 4.92 -0.08 2.92 2.01 -1.26 -0.65 115.64 124.14 3llc s THR 14 Ca -0.12 1.86 0.03 0.00 0.31 0.00 0.00 61.69 63.77 3llc s THR 14 Cb -0.16 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.12 3llc s THR 14 CO 0.02 0.17 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.27 3llc s VAL 15 N 1.08 1.47 0.00 3.82 1.01 -0.18 -4.99 120.40 122.62 3llc s VAL 15 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3llc s VAL 15 Cb -0.20 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3llc s VAL 15 CO 0.24 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3llc n GLY 16 N 3.66 -0.43 3.32 4.51 0.00 -1.26 -0.92 105.19 114.07 3llc n GLY 16 Ca -0.21 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 3llc n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3llc s GLN 17 N -1.59 1.23 6.42 1.61 -1.52 -1.26 -4.44 119.66 120.10 3llc s GLN 17 Ca 0.00 -1.31 0.00 0.00 -1.95 0.00 0.00 55.36 52.10 3llc s GLN 17 Cb 0.00 -1.42 0.00 0.00 -0.22 0.00 0.00 33.01 31.37 3llc s GLN 17 CO 0.00 0.31 0.00 0.41 -0.25 0.00 0.00 175.29 175.76 3llc n GLY 18 N 0.66 3.29 0.00 3.09 0.00 -1.26 -1.73 105.19 109.24 3llc n GLY 18 Ca -0.16 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.81 3llc n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3llc n SER 19 N 3.44 0.00 -0.21 1.61 3.41 -1.26 -1.91 113.62 118.71 3llc n SER 19 Ca 0.00 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 3llc n SER 19 Cb 0.00 -0.46 0.43 0.00 -0.26 0.00 0.00 64.21 63.92 3llc n SER 19 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3llc n ASP 20 N -1.46 0.87 -4.77 4.04 8.00 -0.71 -4.96 116.55 117.56 3llc n ASP 20 Ca 0.06 -0.78 -0.41 0.00 0.71 0.00 0.00 54.79 54.37 3llc n ASP 20 Cb 0.24 0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 3llc n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3llc s ALA 21 N -2.52 3.53 -0.01 2.24 0.00 -0.80 -4.51 121.76 119.68 3llc s ALA 21 Ca 0.25 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.49 3llc s ALA 21 Cb 0.19 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3llc s ALA 21 CO 0.52 -0.81 0.22 -0.98 0.00 0.00 0.00 175.76 174.71 3llc s ARG 22 N -1.92 0.54 -0.19 0.00 3.03 -0.10 -4.94 118.95 115.37 3llc s ARG 22 Ca 0.50 -0.24 -0.15 0.00 2.03 0.00 0.00 55.73 57.87 3llc s ARG 22 Cb -0.42 0.23 -0.04 0.00 -1.03 0.00 0.00 34.95 33.69 3llc s ARG 22 CO 0.57 -0.13 0.38 0.45 -1.13 0.00 0.00 175.30 175.43 3llc s SER 23 N -1.20 6.44 -0.22 -2.89 0.15 -1.26 -1.02 113.70 113.71 3llc s SER 23 Ca -0.13 0.52 -0.08 0.00 0.70 0.00 0.00 55.95 56.96 3llc s SER 23 Cb -0.06 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3llc s SER 23 CO 0.03 -0.04 0.08 -0.63 1.20 0.00 0.00 173.24 173.88 3llc s ILE 24 N 1.11 4.66 0.07 6.45 -1.09 0.18 -1.19 121.20 131.39 3llc s ILE 24 Ca 0.19 -0.07 -0.24 0.00 -2.23 0.00 0.00 60.65 58.29 3llc s ILE 24 Cb -0.14 -3.14 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 3llc s ILE 24 CO 0.07 0.39 0.74 0.00 -1.23 0.00 0.00 174.94 174.92 3llc s ALA 25 N 0.99 3.41 0.02 9.38 0.00 -1.26 -0.93 121.76 133.36 3llc s ALA 25 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3llc s ALA 25 Cb -0.14 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3llc s ALA 25 CO 0.03 0.14 -0.03 0.00 0.00 0.00 0.00 175.76 175.90 3llc s ALA 26 N -0.36 0.14 -0.15 0.00 0.00 -0.55 -1.88 121.76 118.97 3llc s ALA 26 Ca 0.37 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3llc s ALA 26 Cb -0.21 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3llc s ALA 26 CO 0.23 -0.12 -0.17 -0.51 0.00 0.00 0.00 175.76 175.18 3llc s LEU 27 N -1.24 1.88 -0.02 0.00 1.43 -0.29 -1.31 118.68 119.14 3llc s LEU 27 Ca -0.13 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3llc s LEU 27 Cb -0.08 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 3llc s LEU 27 CO -0.01 -0.00 -0.10 -0.69 0.23 0.00 0.00 176.35 175.78 3llc s VAL 28 N 1.20 0.83 -0.17 -1.59 1.01 -0.27 -1.42 120.40 119.99 3llc s VAL 28 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3llc s VAL 28 Cb -0.14 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3llc s VAL 28 CO -0.08 0.25 -0.19 -0.60 0.00 0.00 0.00 175.10 174.48 3llc s ARG 29 N -0.04 2.89 0.47 2.72 3.52 0.01 -0.13 118.95 128.39 3llc s ARG 29 Ca 0.01 -0.79 -0.23 0.00 -0.13 0.00 0.00 55.73 54.58 3llc s ARG 29 Cb -0.06 -2.49 -0.07 0.00 -1.56 0.00 0.00 34.95 30.77 3llc s ARG 29 CO 0.00 -0.19 1.21 0.00 -0.81 0.00 0.00 175.30 175.50 3llc s ALA 30 N 1.26 2.98 0.65 6.12 0.00 -1.26 -1.45 121.76 130.06 3llc s ALA 30 Ca 0.04 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 3llc s ALA 30 Cb -0.13 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 3llc s ALA 30 CO -0.11 -0.78 1.20 -1.25 0.00 0.00 0.00 175.76 174.82 3llc s PRO 31 N -2.68 2.63 0.45 0.00 0.04 -1.26 -4.51 135.00 129.67 3llc s PRO 31 Ca 0.64 1.76 0.18 0.00 0.04 0.00 0.00 61.00 63.63 3llc s PRO 31 Cb -0.31 -1.89 1.06 0.00 0.04 0.00 0.00 34.50 33.40 3llc s PRO 31 CO 0.38 -1.46 1.97 0.00 0.04 0.00 0.00 177.00 177.93 3llc h ALA 32 N 0.34 1.48 -3.85 8.56 0.00 -1.29 -3.42 119.26 121.09 3llc h ALA 32 Ca -0.49 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 53.91 3llc h ALA 32 Cb 1.29 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.76 3llc h ALA 32 CO 0.53 0.27 -0.75 -0.65 0.00 0.00 0.00 179.25 178.65 3llc s GLN 33 N -4.37 0.36 0.59 0.00 1.11 -1.26 -5.06 119.66 111.03 3llc s GLN 33 Ca -0.03 -0.14 0.29 0.00 0.01 0.00 0.00 55.36 55.49 3llc s GLN 33 Cb 0.14 -0.36 1.81 0.00 -1.01 0.00 0.00 33.01 33.59 3llc s GLN 33 CO 0.67 0.08 2.25 -0.44 0.01 0.00 0.00 175.29 177.86 3llc h ASP 34 N 6.13 0.00 1.21 5.90 3.32 -1.98 -1.89 116.42 129.10 3llc h ASP 34 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3llc h ASP 34 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3llc h ASP 34 CO 0.50 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.69 3llc h GLU 35 N 0.00 0.00 -7.09 3.56 3.07 -1.97 -3.42 114.58 108.73 3llc h GLU 35 Ca -0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 3llc h GLU 35 Cb 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3llc h GLU 35 CO 0.00 0.00 0.39 1.03 -1.40 0.00 0.00 179.01 179.03 3llc s ARG 36 N -3.40 3.70 0.90 2.33 1.81 -0.71 -4.84 118.95 118.73 3llc s ARG 36 Ca 0.05 1.37 -0.11 0.00 -1.72 0.00 0.00 55.73 55.31 3llc s ARG 36 Cb 0.09 -2.08 0.13 0.00 -0.45 0.00 0.00 34.95 32.64 3llc s ARG 36 CO 0.54 -0.52 1.09 -1.25 -0.68 0.00 0.00 175.30 174.48 3llc s PRO 37 N -3.34 1.21 -0.15 3.54 0.04 -1.26 -4.64 135.00 130.39 3llc s PRO 37 Ca 0.67 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.66 3llc s PRO 37 Cb -0.17 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 3llc s PRO 37 CO 0.23 -2.31 -0.16 0.99 0.04 0.00 0.00 177.00 175.79 3llc s THR 38 N -2.86 2.60 -0.12 1.26 2.01 -0.38 -1.44 115.64 116.71 3llc s THR 38 Ca 0.64 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 3llc s THR 38 Cb -0.19 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3llc s THR 38 CO 0.57 0.52 0.84 0.00 -0.69 0.00 0.00 174.62 175.86 3llc s ILE 40 N 1.66 3.45 0.06 0.00 1.01 -0.31 -0.66 121.20 126.40 3llc s ILE 40 Ca 0.41 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 3llc s ILE 40 Cb -0.18 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 3llc s ILE 40 CO 0.16 0.25 1.04 0.86 0.00 0.00 0.00 174.94 177.25 3llc s TRP 41 N 1.45 3.64 -0.24 3.97 -0.11 -0.62 -0.86 118.94 126.17 3llc s TRP 41 Ca 0.03 1.63 0.01 0.00 1.22 0.00 0.00 56.10 58.99 3llc s TRP 41 Cb -0.16 -3.19 0.06 0.00 -1.50 0.00 0.00 33.47 28.69 3llc s TRP 41 CO -0.02 -0.30 -0.05 -0.51 -4.62 0.00 0.00 176.95 171.46 3llc s LEU 42 N 0.61 2.63 0.82 5.86 1.02 0.03 -4.59 118.68 125.07 3llc s LEU 42 Ca 0.52 -1.21 -0.09 0.00 0.02 0.00 0.00 54.13 53.37 3llc s LEU 42 Cb -0.24 -1.19 0.14 0.00 0.02 0.00 0.00 46.19 44.92 3llc s LEU 42 CO 0.30 -0.24 1.15 -0.83 0.02 0.00 0.00 176.35 176.74 3llc s GLY 43 N 1.38 1.75 0.89 -3.19 0.00 -1.26 -1.22 107.32 105.67 3llc s GLY 43 Ca -0.05 -1.28 -0.13 0.00 0.00 0.00 0.00 44.72 43.25 3llc s GLY 43 CO -0.06 -0.67 1.18 -0.32 0.00 0.00 0.00 173.10 173.23 3llc s GLY 44 N -4.75 1.61 0.23 0.20 0.00 -1.10 -2.05 107.32 101.46 3llc s GLY 44 Ca 0.68 -0.68 -0.31 0.00 0.00 0.00 0.00 44.72 44.40 3llc s GLY 44 CO 0.48 -0.11 1.68 2.98 0.00 0.00 0.00 173.10 178.13 3llc n TYR 45 N -3.65 2.77 -1.07 1.90 9.36 -1.26 -1.69 117.16 123.52 3llc n TYR 45 Ca 0.09 0.12 -0.02 0.00 3.32 0.00 0.00 57.90 61.40 3llc n TYR 45 Cb 0.60 -2.65 -0.01 0.00 -0.63 0.00 0.00 39.34 36.65 3llc n TYR 45 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3llc n ARG 46 N 3.37 -1.26 -2.26 2.98 1.74 -1.26 -5.01 116.66 114.96 3llc n ARG 46 Ca 0.14 0.44 -0.26 0.00 -0.77 0.00 0.00 57.85 57.39 3llc n ARG 46 Cb 0.35 -4.44 0.11 0.00 -1.02 0.00 0.00 32.46 27.46 3llc n ARG 46 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3llc s SER 47 N -2.14 4.28 0.00 0.55 1.04 -0.68 -5.04 113.70 111.71 3llc s SER 47 Ca 0.00 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3llc s SER 47 Cb 0.00 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.53 3llc s SER 47 CO 0.00 -1.94 0.00 -0.67 0.98 0.00 0.00 173.24 171.61 3llc n ASP 48 N -3.08 0.00 0.00 7.02 2.03 -1.26 -4.63 116.55 116.62 3llc n ASP 48 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3llc n ASP 48 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 3llc n ASP 48 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3llc n THR 50 N 0.00 0.00 -1.01 5.18 -2.24 -1.26 -4.92 114.28 110.03 3llc n THR 50 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3llc n THR 50 Cb 0.00 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 3llc n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3llc s GLY 51 N 0.00 1.93 0.15 3.38 0.00 -1.26 -4.76 107.32 106.76 3llc s GLY 51 Ca 0.00 0.67 -0.19 0.00 0.00 0.00 0.00 44.72 45.21 3llc s GLY 51 CO 0.00 1.08 1.68 -0.84 0.00 0.00 0.00 173.10 175.02 3llc h THR 52 N -1.23 0.65 -0.62 0.90 2.02 -2.00 -1.29 112.91 111.34 3llc h THR 52 Ca -0.45 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 3llc h THR 52 Cb 1.28 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 3llc h THR 52 CO 0.45 0.00 0.19 0.11 0.37 0.00 0.00 175.52 176.65 3llc h LYS 53 N -0.02 0.96 -0.38 6.66 1.57 -1.95 -1.59 116.57 121.82 3llc h LYS 53 Ca 0.15 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3llc h LYS 53 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3llc h LYS 53 CO -0.33 0.85 0.25 0.00 -0.57 0.00 0.00 179.45 179.65 3llc h ALA 54 N 1.07 0.48 -0.48 3.86 0.00 -1.85 -2.71 119.26 119.63 3llc h ALA 54 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3llc h ALA 54 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3llc h ALA 54 CO -0.01 -0.05 0.07 -0.07 0.00 0.00 0.00 179.25 179.19 3llc h LEU 55 N 0.51 0.70 -1.65 0.00 3.38 -1.04 -2.08 115.31 115.13 3llc h LEU 55 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3llc h LEU 55 Cb -0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3llc h LEU 55 CO -0.03 0.73 0.00 -0.62 0.09 0.00 0.00 178.44 178.61 3llc n GLU 56 N -4.26 0.31 0.00 1.13 -0.58 -0.61 -1.14 120.64 115.48 3llc n GLU 56 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3llc n GLU 56 Cb 0.25 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3llc n GLU 56 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3llc n ASP 58 N 0.67 0.00 -0.15 1.62 2.03 -0.78 -1.11 116.55 118.83 3llc n ASP 58 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 3llc n ASP 58 Cb 0.13 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3llc n ASP 58 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 3llc h ASP 59 N 0.00 0.60 -0.04 1.67 3.58 -1.41 -0.61 116.42 120.20 3llc h ASP 59 Ca 0.00 -0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.28 3llc h ASP 59 Cb 0.00 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3llc h ASP 59 CO 0.00 0.61 0.00 0.25 -2.88 0.00 0.00 179.24 177.23 3llc h LEU 60 N 0.55 -0.01 -0.33 2.28 5.85 -1.39 -1.69 115.31 120.58 3llc h LEU 60 Ca 0.14 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.94 3llc h LEU 60 Cb 0.21 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3llc h LEU 60 CO -0.01 0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 178.00 3llc h ALA 61 N 1.03 0.20 -0.84 1.25 0.00 -1.78 -1.82 119.26 117.30 3llc h ALA 61 Ca 0.02 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.18 3llc h ALA 61 Cb 0.02 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3llc h ALA 61 CO -0.03 -0.47 0.45 0.00 0.00 0.00 0.00 179.25 179.20 3llc h ALA 62 N 1.30 1.24 0.00 0.00 0.00 -0.92 -1.32 119.26 119.56 3llc h ALA 62 Ca 0.16 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3llc h ALA 62 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3llc h ALA 62 CO -0.34 -0.02 -0.39 0.66 0.00 0.00 0.00 179.25 179.16 3llc h SER 63 N 0.69 0.00 0.00 0.00 4.64 -0.50 -2.99 113.55 115.39 3llc h SER 63 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3llc h SER 63 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3llc h SER 63 CO -0.32 0.39 -0.15 0.18 -0.87 0.00 0.00 176.83 176.06 3llc n LEU 64 N -3.77 2.29 -0.74 5.97 4.77 -0.86 -4.97 117.00 119.70 3llc n LEU 64 Ca -0.01 -0.78 -0.07 0.00 -0.03 0.00 0.00 56.01 55.12 3llc n LEU 64 Cb 0.46 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3llc n LEU 64 CO 0.38 0.39 -0.09 0.61 -1.33 0.00 0.00 177.39 177.35 3llc n GLY 65 N 1.34 0.41 3.85 -0.72 0.00 -0.67 -4.99 105.19 104.42 3llc n GLY 65 Ca 0.13 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 3llc n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3llc s VAL 66 N -2.33 3.13 0.65 1.61 -7.23 -0.59 -0.86 120.40 114.78 3llc s VAL 66 Ca 0.00 -1.39 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 3llc s VAL 66 Cb 0.00 -3.09 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 3llc s VAL 66 CO 0.00 -0.10 1.05 -0.83 -0.31 0.00 0.00 175.10 174.91 3llc s GLY 67 N -4.04 1.82 -0.09 2.32 0.00 -0.52 -4.27 107.32 102.55 3llc s GLY 67 Ca 0.43 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 45.28 3llc s GLY 67 CO 0.27 0.48 0.20 0.00 0.00 0.00 0.00 173.10 174.05 3llc s ALA 68 N -2.85 -0.45 -0.10 3.20 0.00 -0.53 -0.90 121.76 120.12 3llc s ALA 68 Ca 0.60 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.38 3llc s ALA 68 Cb -0.14 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3llc s ALA 68 CO 0.48 -0.16 -0.19 0.42 0.00 0.00 0.00 175.76 176.32 3llc s ILE 69 N 0.96 1.70 0.10 0.00 1.01 0.16 -0.81 121.20 124.31 3llc s ILE 69 Ca -0.07 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.87 3llc s ILE 69 Cb -0.09 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3llc s ILE 69 CO -0.06 0.48 -0.20 -0.13 0.00 0.00 0.00 174.94 175.04 3llc s ARG 70 N 0.66 1.08 0.09 2.79 0.52 -0.50 -1.59 118.95 121.99 3llc s ARG 70 Ca -0.13 -1.14 -0.13 0.00 -0.52 0.00 0.00 55.73 53.81 3llc s ARG 70 Cb -0.16 -1.28 0.02 0.00 0.52 0.00 0.00 34.95 34.04 3llc s ARG 70 CO 0.03 0.29 0.31 -0.59 0.02 0.00 0.00 175.30 175.36 3llc s PHE 71 N -1.24 -0.06 -0.20 -0.53 -0.71 -1.26 -1.14 117.98 112.83 3llc s PHE 71 Ca 0.05 -0.23 -0.12 0.00 -1.04 0.00 0.00 56.93 55.59 3llc s PHE 71 Cb -0.10 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.77 3llc s PHE 71 CO 0.04 -0.59 0.21 -0.51 -1.34 0.00 0.00 175.22 173.02 3llc s ASP 72 N -2.60 6.25 0.64 1.98 1.01 -0.79 -4.88 116.67 118.29 3llc s ASP 72 Ca 0.01 0.28 -0.18 0.00 0.71 0.00 0.00 52.55 53.38 3llc s ASP 72 Cb 0.02 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 3llc s ASP 72 CO -0.09 0.09 1.09 -1.22 0.21 0.00 0.00 175.17 175.25 3llc n TYR 73 N 3.89 1.21 -1.61 4.23 4.01 -1.26 -4.45 117.16 123.18 3llc n TYR 73 Ca -0.14 0.42 -0.42 0.00 -0.16 0.00 0.00 57.90 57.61 3llc n TYR 73 Cb 0.52 -2.17 0.01 0.00 -0.31 0.00 0.00 39.34 37.38 3llc n TYR 73 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3llc n SER 74 N -1.39 1.34 0.00 7.72 3.41 -1.26 -1.89 113.62 121.55 3llc n SER 74 Ca 0.15 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 3llc n SER 74 Cb 0.48 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 3llc n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3llc n GLY 75 N 1.17 1.41 3.30 5.00 0.00 -0.74 -4.76 105.19 110.57 3llc n GLY 75 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3llc n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3llc s HIS 76 N -3.63 1.87 0.00 1.61 4.02 -0.79 -4.32 115.29 114.05 3llc s HIS 76 Ca 0.00 -0.41 0.00 0.00 1.02 0.00 0.00 55.06 55.67 3llc s HIS 76 Cb 0.00 -1.03 0.00 0.00 -1.02 0.00 0.00 32.58 30.53 3llc s HIS 76 CO 0.00 0.22 0.00 0.41 1.02 0.00 0.00 174.74 176.39 3llc n GLY 77 N 1.12 2.84 0.20 -2.22 0.00 -1.26 -2.17 105.19 103.70 3llc n GLY 77 Ca -0.19 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3llc n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3llc n ALA 78 N 9.59 2.98 -1.93 4.61 0.00 -1.26 -4.94 120.51 129.56 3llc n ALA 78 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 3llc n ALA 78 Cb 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.30 3llc n ALA 78 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3llc s SER 79 N -2.50 5.56 0.92 0.00 0.01 -0.92 -4.64 113.70 112.13 3llc s SER 79 Ca 0.25 1.06 -0.10 0.00 1.31 0.00 0.00 55.95 58.48 3llc s SER 79 Cb 0.19 -1.93 0.16 0.00 0.21 0.00 0.00 66.02 64.65 3llc s SER 79 CO 0.51 -1.23 0.97 0.61 0.41 0.00 0.00 173.24 174.51 3llc n GLY 80 N -2.88 -0.95 0.00 3.44 0.00 -0.33 -4.58 105.19 99.89 3llc n GLY 80 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3llc n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llc n GLY 81 N -1.53 -1.01 3.74 -0.02 0.00 -1.26 -1.79 105.19 103.31 3llc n GLY 81 Ca 0.13 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 3llc n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3llc s ALA 82 N -3.24 3.31 0.25 4.61 0.00 -1.26 -2.72 121.76 122.71 3llc s ALA 82 Ca 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 3llc s ALA 82 Cb 0.00 -3.20 0.47 0.00 0.00 0.00 0.00 23.12 20.39 3llc s ALA 82 CO 0.00 0.11 1.77 0.35 0.00 0.00 0.00 175.76 177.99 3llc h PHE 83 N 4.88 0.75 0.00 0.00 3.57 -1.86 -2.34 116.94 121.94 3llc h PHE 83 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3llc h PHE 83 Cb 1.21 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3llc h PHE 83 CO 0.63 0.22 0.00 2.89 -2.23 0.00 0.00 178.31 179.82 3llc n ARG 84 N -4.85 0.09 0.00 1.11 1.85 -1.26 -1.35 116.66 112.25 3llc n ARG 84 Ca 0.15 0.34 0.13 0.00 -1.00 0.00 0.00 57.85 57.47 3llc n ARG 84 Cb 0.37 -1.68 0.38 0.00 -1.05 0.00 0.00 32.46 30.49 3llc n ARG 84 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3llc n ASP 85 N -1.84 0.70 -4.77 2.89 8.00 -0.88 -4.95 116.55 115.69 3llc n ASP 85 Ca 0.03 -0.54 -0.40 0.00 0.71 0.00 0.00 54.79 54.58 3llc n ASP 85 Cb 0.19 0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 3llc n ASP 85 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3llc s GLY 86 N -2.70 2.96 0.10 0.44 0.00 -0.46 -4.98 107.32 102.69 3llc s GLY 86 Ca 0.20 1.27 -0.09 0.00 0.00 0.00 0.00 44.72 46.09 3llc s GLY 86 CO 0.58 1.89 0.22 -0.51 0.00 0.00 0.00 173.10 175.28 3llc s THR 87 N -1.20 0.13 0.21 0.90 -4.23 -1.26 -4.46 115.64 105.74 3llc s THR 87 Ca 0.53 -1.15 -0.09 0.00 -1.18 0.00 0.00 61.69 59.79 3llc s THR 87 Cb -0.39 -1.39 0.16 0.00 1.34 0.00 0.00 72.50 72.22 3llc s THR 87 CO 0.52 -0.58 1.72 0.40 -0.54 0.00 0.00 174.62 176.14 3llc h ILE 88 N 2.69 0.69 -0.47 2.99 1.08 -1.89 -0.80 117.51 121.80 3llc h ILE 88 Ca -0.34 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.06 3llc h ILE 88 Cb 1.21 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 3llc h ILE 88 CO 0.54 0.06 0.22 0.28 -0.69 0.00 0.00 178.15 178.57 3llc h SER 89 N 0.34 0.30 -0.47 1.72 0.02 -1.97 0.12 113.55 113.61 3llc h SER 89 Ca 0.32 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 3llc h SER 89 Cb 0.45 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3llc h SER 89 CO -0.36 0.21 -0.15 0.03 -1.14 0.00 0.00 176.83 175.42 3llc h ARG 90 N 0.44 0.96 -0.06 3.45 3.08 -1.82 -1.23 114.38 119.20 3llc h ARG 90 Ca 0.21 -0.37 -0.17 0.00 0.07 0.00 0.00 59.98 59.72 3llc h ARG 90 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3llc h ARG 90 CO -0.16 1.04 -0.69 -1.49 -1.07 0.00 0.00 179.97 177.60 3llc h TRP 91 N 0.85 0.38 -0.34 3.04 6.55 -0.98 -1.91 115.95 123.54 3llc h TRP 91 Ca 0.13 -0.16 -0.03 0.00 0.95 0.00 0.00 58.89 59.77 3llc h TRP 91 Cb 0.70 -0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 28.93 3llc h TRP 91 CO 0.04 0.88 0.07 1.25 -1.05 0.00 0.00 178.44 179.64 3llc h LEU 92 N 0.20 0.52 -1.09 -4.49 5.85 -0.94 -2.05 115.31 113.30 3llc h LEU 92 Ca -0.02 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.56 3llc h LEU 92 Cb 1.23 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 3llc h LEU 92 CO 0.11 0.62 0.61 -0.08 -0.34 0.00 0.00 178.44 179.37 3llc h GLU 93 N 0.39 0.95 -0.22 1.25 4.81 -0.99 -0.99 114.58 119.77 3llc h GLU 93 Ca 0.10 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3llc h GLU 93 Cb 0.32 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3llc h GLU 93 CO 0.00 0.63 -0.06 0.93 -0.73 0.00 0.00 179.01 179.78 3llc h GLU 94 N 0.98 0.43 -0.43 1.92 5.08 -1.15 -1.25 114.58 120.16 3llc h GLU 94 Ca 0.45 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 3llc h GLU 94 Cb 0.41 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3llc h GLU 94 CO -0.21 0.68 0.17 0.00 -1.00 0.00 0.00 179.01 178.64 3llc h ALA 95 N 0.74 0.52 -0.61 3.43 0.00 -0.84 -0.43 119.26 122.06 3llc h ALA 95 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3llc h ALA 95 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3llc h ALA 95 CO 0.02 -0.21 0.27 -0.07 0.00 0.00 0.00 179.25 179.26 3llc h LEU 96 N 0.35 0.82 -1.03 0.00 3.38 -1.16 -1.78 115.31 115.90 3llc h LEU 96 Ca 0.19 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3llc h LEU 96 Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3llc h LEU 96 CO -0.18 0.75 0.31 0.00 0.09 0.00 0.00 178.44 179.41 3llc h ALA 97 N 1.11 1.24 -0.21 1.53 0.00 -0.76 0.10 119.26 122.26 3llc h ALA 97 Ca 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3llc h ALA 97 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3llc h ALA 97 CO -0.02 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 180.04 3llc h VAL 98 N 1.00 1.28 -0.39 0.00 2.07 -0.84 -1.25 116.25 118.11 3llc h VAL 98 Ca 0.24 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3llc h VAL 98 Cb 0.14 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3llc h VAL 98 CO -0.03 0.31 0.11 -0.07 0.02 0.00 0.00 177.57 177.91 3llc h LEU 99 N 0.14 0.07 -1.53 2.57 3.38 -1.11 -2.30 115.31 116.54 3llc h LEU 99 Ca 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3llc h LEU 99 Cb 0.49 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3llc h LEU 99 CO 0.02 0.08 -0.06 0.44 0.09 0.00 0.00 178.44 179.00 3llc h ASP 100 N 0.25 0.00 -0.14 -0.43 3.32 -0.88 0.17 116.42 118.70 3llc h ASP 100 Ca 0.19 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 3llc h ASP 100 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3llc h ASP 100 CO -0.22 0.06 -0.48 -0.74 -1.72 0.00 0.00 179.24 176.15 3llc h HIS 101 N 0.00 0.75 0.00 4.55 2.76 -0.66 -3.36 115.15 119.19 3llc h HIS 101 Ca -0.00 -0.31 -0.22 0.00 -2.20 0.00 0.00 60.37 57.65 3llc h HIS 101 Cb 0.52 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 3llc h HIS 101 CO 0.00 1.08 -1.80 1.19 -1.30 0.00 0.00 177.93 177.10 3llc n PHE 102 N -4.23 0.59 -3.80 5.26 3.72 -1.08 -5.03 117.46 112.89 3llc n PHE 102 Ca -0.07 0.20 -0.27 0.00 -0.05 0.00 0.00 57.45 57.26 3llc n PHE 102 Cb 0.58 -1.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.14 3llc n PHE 102 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3llc n LYS 103 N -2.79 -2.90 -1.89 -1.08 5.02 0.57 -4.93 118.16 110.16 3llc n LYS 103 Ca -0.16 0.47 -0.38 0.00 -2.02 0.00 0.00 58.31 56.21 3llc n LYS 103 Cb 0.92 -4.52 0.03 0.00 -0.02 0.00 0.00 35.03 31.43 3llc n LYS 103 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3llc s PRO 104 N -6.23 3.37 0.20 1.97 0.04 -1.26 -4.89 135.00 128.20 3llc s PRO 104 Ca 0.17 2.16 -0.09 0.00 0.04 0.00 0.00 61.00 63.28 3llc s PRO 104 Cb -0.06 -2.36 0.13 0.00 0.04 0.00 0.00 34.50 32.25 3llc s PRO 104 CO 0.86 -0.98 1.76 0.93 0.04 0.00 0.00 177.00 179.60 3llc h GLU 105 N 1.74 1.11 -4.31 4.56 5.08 -1.81 -3.36 114.58 117.57 3llc h GLU 105 Ca -0.50 -0.21 -0.35 0.00 -1.00 0.00 0.00 59.36 57.29 3llc h GLU 105 Cb 1.28 -0.17 -0.30 0.00 0.50 0.00 0.00 28.75 30.06 3llc h GLU 105 CO 0.59 0.92 -0.76 0.15 -1.00 0.00 0.00 179.01 178.90 3llc s LYS 106 N -5.51 0.55 -0.00 2.33 1.02 -1.26 -2.40 119.74 114.46 3llc s LYS 106 Ca -0.12 -0.19 0.06 0.00 0.02 0.00 0.00 55.97 55.74 3llc s LYS 106 Cb 0.15 -0.54 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 3llc s LYS 106 CO 0.83 0.08 -0.20 0.00 -0.92 0.00 0.00 175.35 175.15 3llc s ALA 107 N 0.09 1.63 -0.22 5.17 0.00 -0.29 -1.25 121.76 126.89 3llc s ALA 107 Ca -0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3llc s ALA 107 Cb -0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 3llc s ALA 107 CO -0.00 0.39 -0.05 0.42 0.00 0.00 0.00 175.76 176.52 3llc s ILE 108 N -0.52 3.23 -0.14 0.00 1.01 -0.30 -0.86 121.20 123.63 3llc s ILE 108 Ca 0.07 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 3llc s ILE 108 Cb -0.08 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 3llc s ILE 108 CO -0.00 0.41 0.56 -0.76 0.00 0.00 0.00 174.94 175.15 3llc s LEU 109 N 1.45 4.24 -0.31 2.97 1.43 -0.69 -1.16 118.68 126.61 3llc s LEU 109 Ca 0.05 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 3llc s LEU 109 Cb -0.14 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.34 3llc s LEU 109 CO -0.04 -0.11 0.00 -0.69 0.23 0.00 0.00 176.35 175.74 3llc s VAL 110 N 1.08 2.13 -0.16 -1.59 1.01 -0.04 -0.76 120.40 122.07 3llc s VAL 110 Ca 0.29 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.23 3llc s VAL 110 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3llc s VAL 110 CO 0.12 -0.42 -0.16 -0.83 0.00 0.00 0.00 175.10 173.81 3llc s GLY 111 N 1.02 1.47 -0.20 4.51 0.00 -0.33 -0.79 107.32 113.00 3llc s GLY 111 Ca 0.05 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.67 3llc s GLY 111 CO -0.08 0.05 -0.04 -0.45 0.00 0.00 0.00 173.10 172.58 3llc s SER 112 N 0.86 4.44 0.00 1.64 0.15 -0.36 -0.80 113.70 119.63 3llc s SER 112 Ca -0.04 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3llc s SER 112 Cb -0.15 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 3llc s SER 112 CO -0.01 0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.22 3llc n SER 113 N 4.44 0.00 0.00 5.45 2.88 -0.28 -2.70 113.62 123.41 3llc n SER 113 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3llc n SER 113 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3llc n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3llc n GLY 115 N 0.00 0.00 0.28 0.46 0.00 -0.87 -1.20 105.19 103.86 3llc n GLY 115 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3llc n GLY 115 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3llc h GLY 116 N 0.00 0.88 0.84 -0.02 0.00 -1.68 0.37 103.07 103.45 3llc h GLY 116 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3llc h GLY 116 CO 0.00 0.61 0.04 -0.25 0.00 0.00 0.00 176.54 176.94 3llc h TRP 117 N 0.73 0.25 -0.57 5.60 2.91 -1.82 -2.29 115.95 120.77 3llc h TRP 117 Ca 0.13 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.16 3llc h TRP 117 Cb 0.59 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 3llc h TRP 117 CO 0.03 0.37 0.32 0.82 -1.03 0.00 0.00 178.44 178.95 3llc h ILE 118 N 0.05 1.00 -0.60 2.65 1.08 -1.86 -1.71 117.51 118.12 3llc h ILE 118 Ca 0.05 -0.21 0.04 0.00 -0.39 0.00 0.00 64.86 64.35 3llc h ILE 118 Cb 0.25 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 3llc h ILE 118 CO -0.00 0.11 0.34 0.00 -0.69 0.00 0.00 178.15 177.92 3llc h ALA 119 N 1.29 0.78 -0.49 1.87 0.00 -0.83 0.12 119.26 122.00 3llc h ALA 119 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3llc h ALA 119 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3llc h ALA 119 CO -0.14 0.05 0.10 -0.07 0.00 0.00 0.00 179.25 179.19 3llc h LEU 120 N 0.66 0.76 -0.84 0.00 3.38 -1.03 -1.98 115.31 116.27 3llc h LEU 120 Ca 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3llc h LEU 120 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3llc h LEU 120 CO -0.14 0.81 0.27 0.03 0.09 0.00 0.00 178.44 179.51 3llc h ARG 121 N 0.68 1.13 -0.50 1.13 2.47 -1.06 -2.95 114.38 115.28 3llc h ARG 121 Ca 0.15 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 3llc h ARG 121 Cb 0.36 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 3llc h ARG 121 CO 0.01 0.93 0.25 1.25 0.56 0.00 0.00 179.97 182.97 3llc h LEU 122 N 1.09 0.64 -1.07 3.04 5.85 -0.44 -0.66 115.31 123.77 3llc h LEU 122 Ca 0.25 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3llc h LEU 122 Cb 0.24 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3llc h LEU 122 CO -0.02 0.58 0.28 -0.29 -0.34 0.00 0.00 178.44 178.65 3llc h ILE 123 N 0.66 1.22 -0.71 4.05 6.09 -1.33 -0.73 117.51 126.75 3llc h ILE 123 Ca 0.17 -0.67 -0.01 0.00 -1.37 0.00 0.00 64.86 62.98 3llc h ILE 123 Cb 0.10 0.43 -0.03 0.00 0.47 0.00 0.00 36.82 37.78 3llc h ILE 123 CO -0.02 0.27 0.39 1.56 -3.07 0.00 0.00 178.15 177.28 3llc h GLN 124 N 0.93 1.00 -0.35 2.19 4.20 -1.25 -0.39 115.11 121.43 3llc h GLN 124 Ca 0.22 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 3llc h GLN 124 Cb 0.15 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3llc h GLN 124 CO -0.02 0.74 -0.41 0.93 -0.67 0.00 0.00 178.83 179.40 3llc h GLU 125 N 0.98 0.87 -0.39 1.46 4.39 -0.58 -1.76 114.58 119.55 3llc h GLU 125 Ca 0.25 -0.47 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 3llc h GLU 125 Cb 0.04 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3llc h GLU 125 CO -0.04 1.12 0.10 -0.07 -1.16 0.00 0.00 179.01 178.95 3llc h LEU 126 N 0.71 0.59 -1.81 1.33 3.38 -1.00 -2.89 115.31 115.62 3llc h LEU 126 Ca 0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3llc h LEU 126 Cb 1.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3llc h LEU 126 CO 0.10 0.66 -0.15 0.11 0.09 0.00 0.00 178.44 179.25 3llc h LYS 127 N 0.48 0.00 0.00 1.13 1.57 -0.98 -2.04 116.57 116.73 3llc h LYS 127 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3llc h LYS 127 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3llc h LYS 127 CO 0.00 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 3llc n ALA 128 N -2.41 1.82 -2.33 3.86 0.00 -0.67 -4.84 120.51 115.94 3llc n ALA 128 Ca -0.02 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 3llc n ALA 128 Cb 0.23 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 3llc n ALA 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3llc s ARG 129 N -3.24 3.80 -0.13 0.00 0.52 -0.77 -5.02 118.95 114.11 3llc s ARG 129 Ca 0.06 0.34 -0.17 0.00 -0.52 0.00 0.00 55.73 55.45 3llc s ARG 129 Cb 0.10 -2.54 -0.15 0.00 0.52 0.00 0.00 34.95 32.89 3llc s ARG 129 CO 0.44 0.17 0.41 0.45 0.02 0.00 0.00 175.30 176.79 3llc h HIS 130 N 1.98 0.00 -2.74 -0.53 3.86 -1.88 -3.43 115.15 112.42 3llc h HIS 130 Ca -0.47 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.07 3llc h HIS 130 Cb 1.18 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.48 3llc h HIS 130 CO 0.60 0.59 0.41 -0.51 0.86 0.00 0.00 177.93 179.89 3llc s ASP 131 N -5.97 6.23 -0.44 2.45 1.11 -1.26 -4.99 116.67 113.80 3llc s ASP 131 Ca -0.12 -1.30 0.02 0.00 0.18 0.00 0.00 52.55 51.34 3llc s ASP 131 Cb -0.01 -2.37 0.12 0.00 1.07 0.00 0.00 42.92 41.73 3llc s ASP 131 CO 0.40 -1.27 0.19 0.20 1.18 0.00 0.00 175.17 175.87 3llc s ASN 132 N 3.64 4.74 0.28 0.27 0.01 -1.26 -4.95 114.94 117.66 3llc s ASN 132 Ca 0.19 -2.50 0.25 0.00 -0.71 0.00 0.00 52.86 50.09 3llc s ASN 132 Cb -0.18 -1.69 0.98 0.00 0.41 0.00 0.00 41.25 40.77 3llc s ASN 132 CO 0.06 -0.35 1.75 1.55 -1.51 0.00 0.00 177.10 178.60 3llc h PRO 133 N 7.24 0.00 -4.86 -0.60 0.13 -1.94 -3.42 132.00 128.55 3llc h PRO 133 Ca -0.06 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.39 3llc h PRO 133 Cb 0.97 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.82 3llc h PRO 133 CO 0.62 0.00 -0.67 0.99 -0.23 0.00 0.00 178.00 178.71 3llc s THR 134 N -3.31 3.57 -0.07 1.56 2.01 -1.26 -4.48 115.64 113.66 3llc s THR 134 Ca 0.05 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 3llc s THR 134 Cb 0.10 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3llc s THR 134 CO 0.45 0.15 0.42 -1.58 -0.69 0.00 0.00 174.62 173.36 3llc s GLN 135 N 1.44 4.15 -0.36 4.92 2.00 -1.01 -4.96 119.66 125.84 3llc s GLN 135 Ca 0.02 0.38 -0.23 0.00 -2.00 0.00 0.00 55.36 53.54 3llc s GLN 135 Cb -0.17 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.31 3llc s GLN 135 CO -0.00 0.41 0.75 0.08 -0.50 0.00 0.00 175.29 176.03 3llc s VAL 136 N -0.16 4.77 -0.86 1.34 1.01 -1.26 -1.14 120.40 124.10 3llc s VAL 136 Ca 0.24 0.82 0.23 0.00 0.00 0.00 0.00 61.98 63.27 3llc s VAL 136 Cb -0.16 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 3llc s VAL 136 CO 0.11 -0.41 1.17 -1.54 0.00 0.00 0.00 175.10 174.43 3llc n SER 137 N 6.33 0.65 0.00 3.32 3.41 -0.04 -4.73 113.62 122.57 3llc n SER 137 Ca 0.02 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3llc n SER 137 Cb 0.48 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 3llc n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3llc n GLY 138 N 1.45 0.94 3.42 5.00 0.00 -1.25 -4.27 105.19 110.49 3llc n GLY 138 Ca 0.04 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.53 3llc n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3llc s VAL 140 N -1.90 -0.56 -0.14 1.61 1.01 0.06 -1.70 120.40 118.78 3llc s VAL 140 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3llc s VAL 140 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 3llc s VAL 140 CO 0.00 0.00 -0.17 -0.76 0.00 0.00 0.00 175.10 174.17 3llc s LEU 141 N 2.51 2.40 -0.26 3.92 1.43 -0.22 -1.19 118.68 127.27 3llc s LEU 141 Ca -0.03 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 3llc s LEU 141 Cb -0.07 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3llc s LEU 141 CO -0.18 0.11 -0.03 -0.63 0.23 0.00 0.00 176.35 175.85 3llc s ILE 142 N 0.68 3.12 -1.43 -0.59 1.01 0.02 -0.94 121.20 123.08 3llc s ILE 142 Ca -0.08 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 3llc s ILE 142 Cb -0.16 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.71 3llc s ILE 142 CO 0.02 0.15 0.28 0.00 0.00 0.00 0.00 174.94 175.39 3llc n ALA 143 N 4.71 -2.15 -1.76 9.38 0.00 0.05 -1.12 120.51 129.62 3llc n ALA 143 Ca -0.16 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.52 3llc n ALA 143 Cb 0.47 -1.50 0.02 0.00 0.00 0.00 0.00 19.45 18.44 3llc n ALA 143 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3llc s PRO 144 N -7.07 3.28 -0.45 0.00 0.04 -1.26 -3.20 135.00 126.34 3llc s PRO 144 Ca 0.11 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.19 3llc s PRO 144 Cb -0.06 -2.20 0.41 0.00 0.04 0.00 0.00 34.50 32.69 3llc s PRO 144 CO 0.96 -1.00 1.03 0.00 0.04 0.00 0.00 177.00 178.03 3llc n ALA 145 N -1.04 4.58 -1.74 8.56 0.00 -0.34 -4.84 120.51 125.70 3llc n ALA 145 Ca 0.10 -4.18 -0.40 0.00 0.00 0.00 0.00 53.44 48.96 3llc n ALA 145 Cb 0.47 -0.66 0.02 0.00 0.00 0.00 0.00 19.45 19.28 3llc n ALA 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3llc n PRO 146 N -0.33 2.03 -2.93 0.00 -0.04 -1.26 -2.83 135.00 129.63 3llc n PRO 146 Ca 0.32 0.73 -0.20 0.00 -0.04 0.00 0.00 63.50 64.31 3llc n PRO 146 Cb 0.63 -2.53 0.01 0.00 -0.04 0.00 0.00 33.50 31.56 3llc n PRO 146 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3llc n ASP 147 N -0.19 -4.79 0.08 3.54 8.00 -1.26 -4.86 116.55 117.07 3llc n ASP 147 Ca 0.07 -0.18 0.03 0.00 0.71 0.00 0.00 54.79 55.41 3llc n ASP 147 Cb 0.41 -3.95 0.40 0.00 -0.02 0.00 0.00 41.12 37.96 3llc n ASP 147 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3llc h PHE 148 N -0.78 0.35 -0.32 1.24 -5.15 -1.92 -0.56 116.94 109.80 3llc h PHE 148 Ca -0.44 -0.02 -0.03 0.00 -0.20 0.00 0.00 57.97 57.28 3llc h PHE 148 Cb 1.31 -0.11 -0.01 0.00 0.22 0.00 0.00 35.95 37.36 3llc h PHE 148 CO 0.62 0.36 0.08 1.79 -2.00 0.00 0.00 178.31 179.17 3llc h THR 149 N 0.34 1.22 0.03 0.88 1.35 -1.89 -0.50 112.91 114.34 3llc h THR 149 Ca 0.08 -0.72 -0.26 0.00 -0.55 0.00 0.00 66.41 64.96 3llc h THR 149 Cb 0.23 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 3llc h THR 149 CO 0.01 0.24 -1.37 0.77 -0.25 0.00 0.00 175.52 174.91 3llc h SER 150 N 0.36 0.11 0.04 5.36 4.64 -1.86 -1.73 113.55 120.48 3llc h SER 150 Ca 0.10 -0.15 -0.37 0.00 -0.47 0.00 0.00 61.79 60.90 3llc h SER 150 Cb 0.28 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 3llc h SER 150 CO -0.00 1.13 -2.34 0.47 -0.87 0.00 0.00 176.83 175.22 3llc n ASP 151 N -3.28 0.53 -0.07 4.97 9.92 -0.24 -4.26 116.55 124.13 3llc n ASP 151 Ca -0.10 0.01 -0.08 0.00 -0.53 0.00 0.00 54.79 54.10 3llc n ASP 151 Cb 1.00 0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 41.98 3llc n ASP 151 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3llc n LEU 152 N -2.90 1.26 -0.07 0.64 4.77 -0.45 -4.71 117.00 115.53 3llc n LEU 152 Ca -0.34 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.54 3llc n LEU 152 Cb 1.11 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 42.12 3llc n LEU 152 CO 0.40 0.49 -0.32 0.40 -1.33 0.00 0.00 177.39 177.02 3llc h ILE 153 N 0.00 0.17 -0.81 -0.08 2.04 -1.20 -3.40 117.51 114.22 3llc h ILE 153 Ca -0.33 -1.20 0.19 0.00 1.00 0.00 0.00 64.86 64.52 3llc h ILE 153 Cb 1.64 0.39 -0.15 0.00 -0.74 0.00 0.00 36.82 37.96 3llc h ILE 153 CO -0.01 0.06 -0.04 -0.33 0.00 0.00 0.00 178.15 177.82 3llc h GLU 154 N -1.00 0.06 0.00 2.37 5.08 -1.49 0.26 114.58 119.86 3llc h GLU 154 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3llc h GLU 154 Cb 0.58 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3llc h GLU 154 CO -0.03 0.04 0.00 -1.35 -1.00 0.00 0.00 179.01 176.67 3llc h PRO 155 N 0.06 0.00 -0.00 2.33 0.11 -1.81 -2.84 132.00 129.86 3llc h PRO 155 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3llc h PRO 155 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3llc h PRO 155 CO -0.75 0.00 -0.71 1.28 -0.21 0.00 0.00 178.00 177.61 3llc n LEU 156 N -2.87 1.04 -4.76 2.35 4.77 0.06 -4.97 117.00 112.61 3llc n LEU 156 Ca -0.01 -0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 3llc n LEU 156 Cb 0.15 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3llc n LEU 156 CO 0.20 0.23 0.95 -0.76 -1.33 0.00 0.00 177.39 176.68 3llc s LEU 157 N -2.86 4.45 0.00 2.23 1.43 -1.07 -5.04 118.68 117.81 3llc s LEU 157 Ca 0.12 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 3llc s LEU 157 Cb 0.17 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3llc s LEU 157 CO 0.74 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 177.47 3llc n GLY 158 N 1.00 3.50 0.17 -3.19 0.00 -1.26 -4.98 105.19 100.43 3llc n GLY 158 Ca 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.82 3llc n GLY 158 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3llc h ASP 159 N 0.00 0.19 0.09 1.61 5.19 -1.99 -2.06 116.42 119.46 3llc h ASP 159 Ca 0.00 -0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.32 3llc h ASP 159 Cb 0.00 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.41 3llc h ASP 159 CO 0.00 0.69 -0.47 -0.09 -3.12 0.00 0.00 179.24 176.25 3llc h ARG 160 N 0.14 -0.64 -0.83 3.56 2.43 -2.00 -2.45 114.38 114.59 3llc h ARG 160 Ca 0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3llc h ARG 160 Cb 0.99 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3llc h ARG 160 CO 0.08 -0.43 0.51 0.93 -1.51 0.00 0.00 179.97 179.55 3llc h GLU 161 N -0.66 1.12 -0.37 0.20 3.07 -1.93 -2.21 114.58 113.79 3llc h GLU 161 Ca -0.00 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.67 3llc h GLU 161 Cb 0.67 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 3llc h GLU 161 CO -0.26 0.78 -0.13 0.00 -1.40 0.00 0.00 179.01 178.00 3llc h ARG 162 N 1.14 0.65 -0.02 2.33 3.08 -1.27 -0.89 114.38 119.39 3llc h ARG 162 Ca 0.30 -0.21 -0.24 0.00 0.07 0.00 0.00 59.98 59.90 3llc h ARG 162 Cb -0.06 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 29.94 3llc h ARG 162 CO -0.06 0.76 -0.95 0.00 -1.07 0.00 0.00 179.97 178.64 3llc h ALA 163 N 1.27 0.27 -0.37 0.04 0.00 -1.26 -2.69 119.26 116.51 3llc h ALA 163 Ca 0.10 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.37 3llc h ALA 163 Cb 0.56 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3llc h ALA 163 CO 0.04 0.74 0.14 0.93 0.00 0.00 0.00 179.25 181.09 3llc h GLU 164 N 0.35 0.29 -0.87 0.00 5.08 -1.09 0.27 114.58 118.61 3llc h GLU 164 Ca -0.10 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3llc h GLU 164 Cb 1.59 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.72 3llc h GLU 164 CO 0.18 0.19 0.57 -0.07 -1.00 0.00 0.00 179.01 178.88 3llc h LEU 165 N 0.30 0.80 0.01 1.33 3.38 -1.16 0.11 115.31 120.08 3llc h LEU 165 Ca 0.17 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3llc h LEU 165 Cb 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3llc h LEU 165 CO -0.16 0.49 -0.07 0.00 0.09 0.00 0.00 178.44 178.78 3llc h ALA 166 N 1.55 -0.00 -0.18 1.53 0.00 -1.01 -2.52 119.26 118.63 3llc h ALA 166 Ca 0.40 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3llc h ALA 166 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3llc h ALA 166 CO -0.16 -0.01 -0.18 1.05 0.00 0.00 0.00 179.25 179.94 3llc h GLU 167 N -0.82 0.44 0.00 0.00 9.09 -0.39 -3.39 114.58 119.52 3llc h GLU 167 Ca -0.01 -0.24 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3llc h GLU 167 Cb 0.95 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 3llc h GLU 167 CO 0.01 0.81 -1.07 0.09 0.05 0.00 0.00 179.01 178.90 3llc n ASN 168 N -4.48 1.76 0.00 3.06 3.02 0.36 -5.01 115.26 113.97 3llc n ASN 168 Ca -0.06 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3llc n ASN 168 Cb 0.39 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 3llc n ASN 168 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3llc n GLY 169 N 1.64 0.69 3.50 7.41 0.00 -0.95 -5.01 105.19 112.47 3llc n GLY 169 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3llc n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3llc s TYR 170 N -2.32 -0.37 0.15 1.61 1.13 -1.25 -1.13 117.35 115.16 3llc s TYR 170 Ca 0.00 0.22 0.05 0.00 -1.41 0.00 0.00 57.07 55.93 3llc s TYR 170 Cb 0.00 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 3llc s TYR 170 CO 0.00 -0.61 -0.12 -0.59 -2.51 0.00 0.00 175.55 171.72 3llc s PHE 171 N -3.24 1.38 0.07 -3.49 -0.71 -0.65 -3.67 117.98 107.67 3llc s PHE 171 Ca 0.05 -0.68 0.08 0.00 -1.04 0.00 0.00 56.93 55.34 3llc s PHE 171 Cb -0.01 -0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 41.08 3llc s PHE 171 CO -0.09 0.15 -0.20 -1.21 -1.34 0.00 0.00 175.22 172.53 3llc s GLU 172 N -3.49 1.89 -0.02 1.99 2.02 -1.26 -1.28 118.70 118.56 3llc s GLU 172 Ca 0.16 -1.09 0.02 0.00 0.02 0.00 0.00 54.97 54.08 3llc s GLU 172 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3llc s GLU 172 CO 0.02 0.51 -0.07 -2.00 0.02 0.00 0.00 175.26 173.74 3llc s GLU 173 N -1.69 0.70 0.28 1.61 2.12 -0.04 -5.01 118.70 116.67 3llc s GLU 173 Ca 0.15 -0.23 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 3llc s GLU 173 Cb -0.10 -0.68 -0.12 0.00 0.26 0.00 0.00 34.13 33.49 3llc s GLU 173 CO 0.06 0.10 1.57 1.33 -0.54 0.00 0.00 175.26 177.78 3llc n VAL 174 N 3.20 0.96 -3.86 3.70 0.24 -1.26 -0.72 118.33 120.60 3llc n VAL 174 Ca -0.17 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.34 61.54 3llc n VAL 174 Cb 0.56 -1.88 -0.11 0.00 -1.47 0.00 0.00 33.84 30.94 3llc n VAL 174 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3llc s SER 175 N 0.49 5.45 0.50 -1.34 0.15 -1.26 -4.74 113.70 112.95 3llc s SER 175 Ca 0.65 -0.06 0.17 0.00 0.70 0.00 0.00 55.95 57.41 3llc s SER 175 Cb -0.52 -1.96 1.21 0.00 -1.71 0.00 0.00 66.02 63.03 3llc s SER 175 CO 0.48 0.05 2.10 -0.33 1.20 0.00 0.00 173.24 176.74 3llc h GLU 176 N 7.58 0.00 -0.64 5.44 3.07 -1.96 -3.05 114.58 125.03 3llc h GLU 176 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3llc h GLU 176 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3llc h GLU 176 CO 0.62 0.07 0.00 0.66 -1.40 0.00 0.00 179.01 178.96 3llc n TYR 177 N -4.40 1.27 0.00 4.33 4.01 -1.26 -4.98 117.16 116.14 3llc n TYR 177 Ca -0.03 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 3llc n TYR 177 Cb 0.15 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 3llc n TYR 177 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3llc n SER 178 N 0.77 0.00 0.23 7.72 3.41 -1.15 -5.02 113.62 119.58 3llc n SER 178 Ca 0.21 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.97 3llc n SER 178 Cb 0.78 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.26 3llc n SER 178 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3llc h PRO 179 N 0.00 0.00 -6.09 4.33 0.13 -1.94 -3.40 132.00 125.03 3llc h PRO 179 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 3llc h PRO 179 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 3llc h PRO 179 CO 0.00 0.00 0.60 -1.83 -0.23 0.00 0.00 178.00 176.54 3llc s GLU 180 N -3.48 3.82 0.65 0.86 1.03 -1.26 -5.00 118.70 115.31 3llc s GLU 180 Ca 0.03 0.54 -0.16 0.00 0.03 0.00 0.00 54.97 55.42 3llc s GLU 180 Cb 0.08 -3.81 -0.00 0.00 -0.80 0.00 0.00 34.13 29.60 3llc s GLU 180 CO 0.55 -0.97 1.13 -1.25 -1.33 0.00 0.00 175.26 173.38 3llc s PRO 181 N 3.50 2.79 0.25 -4.83 0.04 -1.26 -4.66 135.00 130.83 3llc s PRO 181 Ca 0.38 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3llc s PRO 181 Cb -0.12 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 3llc s PRO 181 CO 0.19 -1.27 1.56 -0.80 0.04 0.00 0.00 177.00 176.72 3llc s ASN 182 N -2.37 6.50 0.02 6.66 0.01 0.10 -4.86 114.94 121.01 3llc s ASN 182 Ca 0.69 2.79 0.06 0.00 -0.71 0.00 0.00 52.86 55.70 3llc s ASN 182 Cb -0.22 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.79 3llc s ASN 182 CO 0.40 -0.84 -0.17 0.27 -1.51 0.00 0.00 177.10 175.25 3llc s ILE 183 N 0.32 2.87 -0.10 0.60 -5.25 -1.26 -0.86 121.20 117.52 3llc s ILE 183 Ca 0.64 -1.09 -0.00 0.00 -0.99 0.00 0.00 60.65 59.21 3llc s ILE 183 Cb -0.45 -2.20 0.02 0.00 2.95 0.00 0.00 42.46 42.78 3llc s ILE 183 CO 0.42 0.38 -0.07 -0.36 -1.79 0.00 0.00 174.94 173.52 3llc s PHE 184 N -0.89 1.35 0.42 1.37 0.08 -0.40 -5.00 117.98 114.90 3llc s PHE 184 Ca 0.14 -0.63 -0.10 0.00 0.12 0.00 0.00 56.93 56.46 3llc s PHE 184 Cb -0.11 -1.15 -0.06 0.00 -0.57 0.00 0.00 43.02 41.14 3llc s PHE 184 CO 0.05 -0.46 0.79 0.95 -0.10 0.00 0.00 175.22 176.44 3llc s THR 185 N 1.65 4.78 0.20 0.64 -4.23 -1.26 -1.63 115.64 115.78 3llc s THR 185 Ca 0.03 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 3llc s THR 185 Cb -0.13 -3.75 0.13 0.00 1.34 0.00 0.00 72.50 70.09 3llc s THR 185 CO -0.07 -0.58 1.73 -0.09 -0.54 0.00 0.00 174.62 175.08 3llc h ARG 186 N 1.10 0.32 -0.63 3.99 2.43 -1.44 -2.67 114.38 117.48 3llc h ARG 186 Ca -0.47 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 3llc h ARG 186 Cb 1.19 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 3llc h ARG 186 CO 0.63 0.21 0.37 0.00 -1.51 0.00 0.00 179.97 179.67 3llc h ALA 187 N 1.40 0.83 0.00 2.80 0.00 -1.94 -1.08 119.26 121.26 3llc h ALA 187 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3llc h ALA 187 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3llc h ALA 187 CO -0.31 0.08 0.00 -0.11 0.00 0.00 0.00 179.25 178.91 3llc n LEU 188 N -4.76 0.00 0.00 0.00 7.94 -1.01 -1.35 117.00 117.82 3llc n LEU 188 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3llc n LEU 188 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3llc n LEU 188 CO 0.31 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.97 3llc n GLU 190 N 0.61 0.00 0.24 1.96 1.02 -0.41 -1.12 120.64 122.93 3llc n GLU 190 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 3llc n GLU 190 Cb 0.00 0.00 0.52 0.00 -0.02 0.00 0.00 31.44 31.94 3llc n GLU 190 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3llc h ASP 191 N 0.00 0.00 -0.19 1.62 3.58 -1.47 -2.82 116.42 117.14 3llc h ASP 191 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3llc h ASP 191 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3llc h ASP 191 CO 0.00 0.14 0.11 1.23 -2.88 0.00 0.00 179.24 177.84 3llc h GLY 192 N 2.16 0.31 1.74 -0.78 0.00 -1.36 -1.50 103.07 103.65 3llc h GLY 192 Ca -0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 3llc h GLY 192 CO 0.02 0.12 -0.60 3.21 0.00 0.00 0.00 176.54 179.28 3llc h ARG 193 N 0.29 0.27 -0.05 4.80 3.08 -1.79 -2.54 114.38 118.44 3llc h ARG 193 Ca 0.08 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.96 3llc h ARG 193 Cb 0.02 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3llc h ARG 193 CO -0.01 0.79 0.04 0.00 -1.07 0.00 0.00 179.97 179.72 3llc h ALA 194 N 1.17 1.95 -0.43 0.04 0.00 -1.36 -2.92 119.26 117.72 3llc h ALA 194 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3llc h ALA 194 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3llc h ALA 194 CO 0.09 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3llc n ASN 195 N -4.37 4.29 -4.69 0.00 3.02 -0.98 -5.01 115.26 107.52 3llc n ASN 195 Ca -0.02 -2.70 -0.42 0.00 -0.03 0.00 0.00 54.58 51.42 3llc n ASN 195 Cb 0.14 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 3llc n ASN 195 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3llc s ARG 196 N -2.28 4.21 -0.59 3.52 3.52 -1.07 -4.84 118.95 121.44 3llc s ARG 196 Ca 0.44 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 3llc s ARG 196 Cb 0.32 -3.54 0.45 0.00 -1.56 0.00 0.00 34.95 30.62 3llc s ARG 196 CO 0.15 -0.70 1.85 1.33 -0.81 0.00 0.00 175.30 177.13 3llc n VAL 197 N 4.63 3.39 0.00 7.11 0.24 -1.26 -4.94 118.33 127.50 3llc n VAL 197 Ca 0.15 -3.20 0.00 0.00 -2.04 0.00 0.00 64.34 59.25 3llc n VAL 197 Cb 0.41 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 3llc n VAL 197 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3llc n ALA 199 N -0.88 0.00 -1.29 2.33 0.00 -1.26 -4.68 120.51 114.73 3llc n ALA 199 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3llc n ALA 199 Cb 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3llc n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llc n GLY 200 N -1.32 0.30 3.38 0.00 0.00 -1.26 -5.24 105.19 101.06 3llc n GLY 200 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 3llc n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3llc s ILE 202 N 0.29 -0.51 -0.41 -0.61 1.01 0.44 -4.89 121.20 116.52 3llc s ILE 202 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 3llc s ILE 202 Cb 0.00 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.73 3llc s ILE 202 CO 0.00 0.04 0.39 -1.81 0.00 0.00 0.00 174.94 173.56 3llc s ASP 203 N 2.30 6.16 -0.13 3.58 1.01 -1.26 -3.92 116.67 124.41 3llc s ASP 203 Ca -0.05 -0.71 0.04 0.00 0.71 0.00 0.00 52.55 52.53 3llc s ASP 203 Cb -0.10 -2.20 -0.24 0.00 1.01 0.00 0.00 42.92 41.39 3llc s ASP 203 CO -0.15 -0.52 0.31 0.35 0.21 0.00 0.00 175.17 175.37 3llc n THR 204 N 5.33 1.63 -1.17 -1.27 -2.24 -1.26 -4.82 114.28 110.48 3llc n THR 204 Ca -0.09 -0.71 -0.06 0.00 -2.27 0.00 0.00 64.05 60.93 3llc n THR 204 Cb 0.47 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.37 3llc n THR 204 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3llc n GLY 205 N 1.88 0.75 3.50 3.38 0.00 -1.26 -4.99 105.19 108.46 3llc n GLY 205 Ca -0.30 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 3llc n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3llc s PRO 207 N -3.93 3.46 -0.06 0.00 0.02 -1.26 -4.94 135.00 128.30 3llc s PRO 207 Ca 0.14 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.26 3llc s PRO 207 Cb -0.00 -2.38 0.01 0.00 0.02 0.00 0.00 34.50 32.15 3llc s PRO 207 CO 0.01 -0.88 -0.12 0.08 -0.33 0.00 0.00 177.00 175.75 3llc s VAL 208 N -1.38 1.10 -0.14 3.83 1.01 -0.63 -4.47 120.40 119.72 3llc s VAL 208 Ca 0.67 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3llc s VAL 208 Cb -0.36 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3llc s VAL 208 CO 0.44 0.34 -0.12 -2.28 0.00 0.00 0.00 175.10 173.48 3llc s HIS 209 N 0.53 2.01 -0.15 5.22 2.46 -1.26 -1.31 115.29 122.80 3llc s HIS 209 Ca -0.12 -1.13 -0.06 0.00 0.47 0.00 0.00 55.06 54.22 3llc s HIS 209 Cb -0.14 -1.51 -0.04 0.00 -0.13 0.00 0.00 32.58 30.76 3llc s HIS 209 CO 0.03 -0.64 0.07 0.42 -2.47 0.00 0.00 174.74 172.15 3llc s ILE 210 N 1.54 4.90 -0.14 0.89 1.01 -0.18 -1.05 121.20 128.17 3llc s ILE 210 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3llc s ILE 210 Cb -0.13 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 3llc s ILE 210 CO -0.10 0.53 -0.17 -0.76 0.00 0.00 0.00 174.94 174.45 3llc s LEU 211 N -0.28 2.45 -0.13 2.97 1.43 -0.11 -0.53 118.68 124.48 3llc s LEU 211 Ca 0.09 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3llc s LEU 211 Cb -0.12 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.61 3llc s LEU 211 CO 0.01 0.12 0.30 -1.58 0.23 0.00 0.00 176.35 175.43 3llc s GLN 212 N 0.61 0.27 0.00 1.70 2.00 -0.55 -0.77 119.66 122.93 3llc s GLN 212 Ca -0.09 0.61 0.00 0.00 -2.00 0.00 0.00 55.36 53.88 3llc s GLN 212 Cb -0.16 -0.08 0.00 0.00 0.80 0.00 0.00 33.01 33.57 3llc s GLN 212 CO 0.03 -0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.07 3llc n GLY 213 N 4.19 0.45 0.24 2.59 0.00 -1.26 -0.87 105.19 110.53 3llc n GLY 213 Ca -0.24 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3llc n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3llc n ALA 215 N -3.00 0.00 -2.55 4.61 0.00 -0.37 -4.31 120.51 114.89 3llc n ALA 215 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3llc n ALA 215 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3llc n ALA 215 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3llc s ASP 216 N -0.05 6.46 0.00 0.00 -1.08 -1.18 -4.40 116.67 116.41 3llc s ASP 216 Ca 0.00 0.03 0.30 0.00 -0.52 0.00 0.00 52.55 52.36 3llc s ASP 216 Cb 0.00 -2.41 1.50 0.00 -1.46 0.00 0.00 42.92 40.56 3llc s ASP 216 CO 0.00 -0.93 2.02 -0.81 0.52 0.00 0.00 175.17 175.98 3llc n PRO 217 N 6.80 0.72 -0.10 4.34 -0.04 -1.26 -4.23 135.00 141.23 3llc n PRO 217 Ca 0.03 -0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 3llc n PRO 217 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 3llc n PRO 217 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3llc n ASP 218 N -1.04 1.49 -4.19 3.54 8.00 -1.26 -4.85 116.55 118.24 3llc n ASP 218 Ca 0.17 0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.55 3llc n ASP 218 Cb 0.23 -0.61 -0.11 0.00 -0.02 0.00 0.00 41.12 40.60 3llc n ASP 218 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3llc s VAL 219 N -2.42 3.57 0.44 2.53 1.01 -1.26 -5.09 120.40 119.17 3llc s VAL 219 Ca -0.28 -1.67 -0.26 0.00 0.00 0.00 0.00 61.98 59.78 3llc s VAL 219 Cb 0.10 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 3llc s VAL 219 CO 0.35 -0.50 1.39 -2.65 0.00 0.00 0.00 175.10 173.70 3llc n PRO 220 N 4.72 2.20 0.28 2.72 -0.02 -1.26 -4.70 135.00 138.93 3llc n PRO 220 Ca -0.07 0.78 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 3llc n PRO 220 Cb 0.42 -2.56 0.77 0.00 -0.02 0.00 0.00 33.50 32.11 3llc n PRO 220 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 3llc h TYR 221 N 2.29 0.00 -0.19 6.00 -0.00 -1.83 -0.27 116.97 122.96 3llc h TYR 221 Ca -0.50 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.29 3llc h TYR 221 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.00 3llc h TYR 221 CO 0.49 0.01 0.18 1.96 -0.00 0.00 0.00 178.16 180.80 3llc h GLN 222 N 0.00 0.00 -0.31 0.10 7.50 -1.94 -1.18 115.11 119.28 3llc h GLN 222 Ca -0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 3llc h GLN 222 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 3llc h GLN 222 CO 0.00 0.00 -0.11 1.25 -1.50 0.00 0.00 178.83 178.47 3llc h HIS 223 N 0.00 0.56 -0.40 2.96 2.76 -1.39 -0.75 115.15 118.90 3llc h HIS 223 Ca 0.09 -0.08 -0.15 0.00 -2.20 0.00 0.00 60.37 58.03 3llc h HIS 223 Cb 0.44 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3llc h HIS 223 CO 0.00 0.62 -0.34 0.00 -1.30 0.00 0.00 177.93 176.92 3llc h ALA 224 N 1.40 0.63 -0.81 5.26 0.00 -1.34 -1.17 119.26 123.23 3llc h ALA 224 Ca 0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3llc h ALA 224 Cb 0.49 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3llc h ALA 224 CO 0.03 0.68 0.33 -0.07 0.00 0.00 0.00 179.25 180.21 3llc h LEU 225 N 0.77 1.11 -0.43 0.00 3.38 -1.37 -1.78 115.31 116.98 3llc h LEU 225 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3llc h LEU 225 Cb 0.92 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3llc h LEU 225 CO 0.09 0.97 0.26 0.50 0.09 0.00 0.00 178.44 180.35 3llc h LYS 226 N 1.17 0.59 -0.86 1.13 3.64 -0.94 -2.62 116.57 118.69 3llc h LYS 226 Ca 0.27 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 3llc h LYS 226 Cb 0.21 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3llc h LYS 226 CO -0.02 0.44 0.55 1.25 -2.27 0.00 0.00 179.45 179.39 3llc h LEU 227 N 0.58 0.91 -1.25 5.20 5.85 -0.92 -2.05 115.31 123.62 3llc h LEU 227 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3llc h LEU 227 Cb -0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3llc h LEU 227 CO -0.03 0.62 0.45 0.58 -0.34 0.00 0.00 178.44 179.72 3llc h VAL 228 N 1.06 1.19 0.00 1.05 2.07 -1.10 -0.72 116.25 119.81 3llc h VAL 228 Ca 0.34 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3llc h VAL 228 Cb 0.02 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3llc h VAL 228 CO -0.12 0.20 0.00 -0.33 0.02 0.00 0.00 177.57 177.33 3llc h GLU 229 N 0.97 0.00 -0.29 1.57 5.08 -1.00 -2.46 114.58 118.46 3llc h GLU 229 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3llc h GLU 229 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3llc h GLU 229 CO -0.05 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.68 3llc n HIS 230 N -2.78 0.37 -3.67 4.33 8.25 -0.31 -5.00 115.22 116.41 3llc n HIS 230 Ca -0.01 -0.25 -0.21 0.00 -0.26 0.00 0.00 57.72 57.00 3llc n HIS 230 Cb 0.15 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 3llc n HIS 230 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3llc s LEU 231 N -1.25 3.48 0.90 2.41 1.43 -0.93 -0.42 118.68 124.29 3llc s LEU 231 Ca 0.29 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 3llc s LEU 231 Cb 0.17 -2.13 0.14 0.00 0.03 0.00 0.00 46.19 44.40 3llc s LEU 231 CO 0.24 -0.52 1.16 -2.84 0.23 0.00 0.00 176.35 174.62 3llc s PRO 232 N -4.07 1.12 0.00 1.29 0.02 -1.25 -4.89 135.00 127.22 3llc s PRO 232 Ca 0.45 1.59 0.21 0.00 0.02 0.00 0.00 61.00 63.27 3llc s PRO 232 Cb -0.04 -1.74 1.27 0.00 0.02 0.00 0.00 34.50 34.01 3llc s PRO 232 CO 0.27 -2.56 1.65 0.00 -0.33 0.00 0.00 177.00 176.03 3llc n ALA 233 N -4.08 2.30 -2.60 -1.55 0.00 -1.26 -4.75 120.51 108.57 3llc n ALA 233 Ca 0.12 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 3llc n ALA 233 Cb 0.52 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 3llc n ALA 233 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3llc s ASP 234 N -2.00 1.22 -1.44 0.00 1.01 -1.26 -4.92 116.67 109.28 3llc s ASP 234 Ca 0.32 -0.73 -0.08 0.00 0.71 0.00 0.00 52.55 52.77 3llc s ASP 234 Cb 0.15 0.02 0.02 0.00 1.01 0.00 0.00 42.92 44.12 3llc s ASP 234 CO 0.25 -0.25 0.97 -0.67 0.21 0.00 0.00 175.17 175.67 3llc n ASP 235 N 0.87 -6.15 -4.12 0.27 -0.08 -1.26 -4.92 116.55 101.16 3llc n ASP 235 Ca -0.18 -0.47 -0.26 0.00 -1.51 0.00 0.00 54.79 52.36 3llc n ASP 235 Cb 0.57 -4.89 -0.16 0.00 2.34 0.00 0.00 41.12 38.97 3llc n ASP 235 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3llc s VAL 236 N -3.26 1.43 -0.03 5.18 1.01 -1.26 -1.60 120.40 121.86 3llc s VAL 236 Ca 0.50 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3llc s VAL 236 Cb -0.22 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 3llc s VAL 236 CO 0.61 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 175.32 3llc s VAL 237 N 0.21 0.99 -0.16 2.92 1.01 -0.42 -5.00 120.40 119.95 3llc s VAL 237 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3llc s VAL 237 Cb -0.13 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.41 3llc s VAL 237 CO 0.03 0.30 -0.17 -0.22 0.00 0.00 0.00 175.10 175.04 3llc s LEU 238 N 0.05 1.91 -0.31 3.92 2.96 -1.26 -1.01 118.68 124.94 3llc s LEU 238 Ca -0.02 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.24 3llc s LEU 238 Cb -0.09 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.28 3llc s LEU 238 CO 0.01 -0.03 0.13 -0.89 -1.32 0.00 0.00 176.35 174.25 3llc s THR 239 N 1.39 4.37 -0.24 3.68 2.01 0.31 -4.99 115.64 122.17 3llc s THR 239 Ca 0.05 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 3llc s THR 239 Cb -0.13 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 3llc s THR 239 CO -0.12 0.04 0.14 -0.76 -0.69 0.00 0.00 174.62 173.23 3llc s LEU 240 N 1.57 3.96 -0.32 4.42 1.43 -1.26 -1.48 118.68 127.00 3llc s LEU 240 Ca 0.04 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3llc s LEU 240 Cb -0.17 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.01 3llc s LEU 240 CO 0.05 0.05 0.08 -0.69 0.23 0.00 0.00 176.35 176.06 3llc s VAL 241 N 1.17 3.73 0.19 -1.59 1.01 -0.05 -4.99 120.40 119.86 3llc s VAL 241 Ca 0.07 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 3llc s VAL 241 Cb -0.14 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.31 3llc s VAL 241 CO 0.05 -0.07 1.72 -0.09 0.00 0.00 0.00 175.10 176.71 3llc h ARG 242 N 8.20 0.25 -0.70 2.72 9.65 -1.95 -2.32 114.38 130.23 3llc h ARG 242 Ca -0.26 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 3llc h ARG 242 Cb 1.10 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 3llc h ARG 242 CO 0.60 0.17 0.00 -0.40 2.80 0.00 0.00 179.97 183.13 3llc n ASP 243 N -5.09 3.77 -4.76 -3.80 5.68 -1.26 -3.24 116.55 107.84 3llc n ASP 243 Ca 0.06 -2.02 -0.39 0.00 -0.50 0.00 0.00 54.79 51.94 3llc n ASP 243 Cb 0.24 -0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 39.71 3llc n ASP 243 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3llc s GLY 244 N -1.00 2.99 0.00 6.12 0.00 -0.87 -4.73 107.32 109.83 3llc s GLY 244 Ca 0.47 0.86 0.00 0.00 0.00 0.00 0.00 44.72 46.04 3llc s GLY 244 CO 0.31 1.42 0.00 2.09 0.00 0.00 0.00 173.10 176.92 3llc n ASP 245 N 0.87 0.33 0.12 1.64 5.68 -1.26 -1.24 116.55 122.70 3llc n ASP 245 Ca 0.00 -0.79 -0.00 0.00 -0.50 0.00 0.00 54.79 53.50 3llc n ASP 245 Cb 0.46 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.72 3llc n ASP 245 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3llc h HIS 246 N 0.13 0.19 0.00 2.11 -0.00 -1.92 -3.23 115.15 112.43 3llc h HIS 246 Ca 0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 60.37 60.15 3llc h HIS 246 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.34 3llc h HIS 246 CO 0.00 0.52 -0.85 0.00 -0.00 0.00 0.00 177.93 177.60 3llc h ARG 247 N 0.14 0.00 -6.85 5.26 3.08 -1.98 -3.46 114.38 110.57 3llc h ARG 247 Ca 0.02 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.49 3llc h ARG 247 Cb 0.73 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.71 3llc h ARG 247 CO 0.05 0.85 -0.98 1.28 -1.07 0.00 0.00 179.97 180.11 3llc n LEU 248 N -3.40 -0.98 -0.13 3.04 4.77 -1.22 -4.88 117.00 114.20 3llc n LEU 248 Ca 0.00 -1.23 0.03 0.00 -0.03 0.00 0.00 56.01 54.78 3llc n LEU 248 Cb 0.85 -1.77 0.04 0.00 -2.33 0.00 0.00 43.42 40.21 3llc n LEU 248 CO 0.45 0.63 0.40 -1.54 -1.33 0.00 0.00 177.39 176.00 3llc n SER 249 N -2.53 1.14 -4.74 -1.43 3.41 -1.26 -4.45 113.62 103.76 3llc n SER 249 Ca -0.20 -2.03 -0.31 0.00 -0.26 0.00 0.00 58.87 56.07 3llc n SER 249 Cb 0.62 -0.15 0.11 0.00 -0.26 0.00 0.00 64.21 64.53 3llc n SER 249 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3llc s ARG 250 N -1.00 1.93 0.21 4.33 0.52 -1.26 -4.75 118.95 118.93 3llc s ARG 250 Ca 0.08 1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 56.44 3llc s ARG 250 Cb 0.07 -1.85 0.28 0.00 0.52 0.00 0.00 34.95 33.97 3llc s ARG 250 CO 0.01 -1.90 1.65 -1.35 0.02 0.00 0.00 175.30 173.72 3llc h PRO 251 N -1.33 0.06 -0.74 3.54 0.11 -1.99 0.04 132.00 131.70 3llc h PRO 251 Ca -0.43 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 3llc h PRO 251 Cb 1.24 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3llc h PRO 251 CO 0.49 0.04 0.49 -0.56 -0.21 0.00 0.00 178.00 178.25 3llc h GLN 252 N 0.06 0.94 -0.34 1.05 3.07 -2.00 -1.14 115.11 116.75 3llc h GLN 252 Ca 0.32 -0.06 -0.07 0.00 0.09 0.00 0.00 58.65 58.93 3llc h GLN 252 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 3llc h GLN 252 CO -0.58 0.62 -0.07 -0.44 0.09 0.00 0.00 178.83 178.45 3llc h ASP 253 N 0.96 0.64 -0.81 0.06 3.32 -1.53 -2.46 116.42 116.61 3llc h ASP 253 Ca 0.28 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3llc h ASP 253 Cb -0.05 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3llc h ASP 253 CO -0.07 0.85 0.46 0.40 -1.72 0.00 0.00 179.24 179.16 3llc h ILE 254 N 0.43 1.24 -0.53 0.35 1.08 -0.77 -2.70 117.51 116.61 3llc h ILE 254 Ca 0.09 -0.57 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 3llc h ILE 254 Cb 0.56 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3llc h ILE 254 CO 0.03 0.26 0.34 -0.78 -0.69 0.00 0.00 178.15 177.31 3llc h ASP 255 N 1.12 0.57 0.00 1.72 3.58 -1.16 0.91 116.42 123.16 3llc h ASP 255 Ca 0.29 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3llc h ASP 255 Cb 0.01 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3llc h ASP 255 CO -0.05 0.40 0.00 0.54 -2.88 0.00 0.00 179.24 177.26 3llc n ARG 256 N -4.75 0.14 0.00 0.28 1.74 -0.93 -1.41 116.66 111.73 3llc n ARG 256 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3llc n ARG 256 Cb 0.05 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3llc n ARG 256 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3llc n ARG 258 N 0.63 0.00 -0.14 5.56 1.74 0.31 -1.43 116.66 123.33 3llc n ARG 258 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3llc n ARG 258 Cb 0.05 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.59 3llc n ARG 258 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3llc h ASN 259 N 0.00 0.86 -0.43 0.55 2.35 -1.47 -0.45 115.58 116.98 3llc h ASN 259 Ca 0.00 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 3llc h ASN 259 Cb 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3llc h ASN 259 CO 0.00 0.94 0.16 0.00 -1.65 0.00 0.00 177.43 176.88 3llc h ALA 260 N 1.14 0.56 -0.37 -0.83 0.00 -1.50 -1.85 119.26 116.41 3llc h ALA 260 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3llc h ALA 260 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3llc h ALA 260 CO 0.03 0.19 -0.07 0.82 0.00 0.00 0.00 179.25 180.22 3llc h ILE 261 N 0.55 1.27 -0.99 0.00 2.04 -1.80 -3.09 117.51 115.50 3llc h ILE 261 Ca 0.14 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 64.92 3llc h ILE 261 Cb 0.22 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3llc h ILE 261 CO -0.01 0.38 0.64 -0.09 0.00 0.00 0.00 178.15 179.07 3llc h ARG 262 N 0.51 1.14 -1.93 2.37 2.43 -0.97 -2.75 114.38 115.18 3llc h ARG 262 Ca 0.10 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3llc h ARG 262 Cb 0.58 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3llc h ARG 262 CO 0.03 0.75 0.00 0.00 -1.51 0.00 0.00 179.97 179.25 3llc n ALA 263 N -2.37 2.00 0.00 2.80 0.00 -0.70 -1.24 120.51 120.99 3llc n ALA 263 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3llc n ALA 263 Cb 0.16 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3llc n ALA 263 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3llc n ILE 265 N 1.59 0.00 1.05 0.00 5.41 -1.04 -5.12 119.36 121.24 3llc n ILE 265 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3llc n ILE 265 Cb 0.12 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.19 3llc n ILE 265 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93