#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jey n ASP 5 N 0.00 3.05 0.00 4.31 4.64 -1.26 -4.84 116.55 122.46 2jey n ASP 5 Ca 0.00 0.04 0.10 0.00 -1.38 0.00 0.00 54.79 53.55 2jey n ASP 5 Cb 0.00 -1.57 0.55 0.00 -1.04 0.00 0.00 41.12 39.07 2jey n ASP 5 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2jey n PRO 6 N 8.83 0.49 0.11 -0.67 -0.04 -1.26 -0.48 135.00 141.98 2jey n PRO 6 Ca 0.32 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2jey n PRO 6 Cb 0.47 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 2jey n PRO 6 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jey h GLN 7 N 0.00 0.00 -0.69 0.54 1.08 -2.02 -3.13 115.11 110.89 2jey h GLN 7 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jey h GLN 7 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2jey h GLN 7 CO 0.00 0.73 0.00 1.28 -0.95 0.00 0.00 178.83 179.89 2jey n LEU 8 N -3.65 3.37 -3.86 1.46 4.77 0.36 -4.79 117.00 114.66 2jey n LEU 8 Ca -0.01 -1.70 -0.30 0.00 -0.03 0.00 0.00 56.01 53.97 2jey n LEU 8 Cb 0.71 -0.53 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 2jey n LEU 8 CO 0.43 0.49 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.38 2jey s LEU 9 N -1.44 2.37 0.03 2.23 0.20 -1.19 0.88 118.68 121.77 2jey s LEU 9 Ca 0.30 -1.28 0.08 0.00 0.69 0.00 0.00 54.13 53.92 2jey s LEU 9 Cb 0.22 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.93 2jey s LEU 9 CO 0.11 -0.30 -0.22 -0.69 -0.29 0.00 0.00 176.35 174.96 2jey s VAL 10 N 1.50 2.47 -0.36 1.68 1.01 -0.55 -4.96 120.40 121.20 2jey s VAL 10 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 2jey s VAL 10 Cb -0.18 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.26 2jey s VAL 10 CO -0.11 0.39 0.14 -0.60 0.00 0.00 0.00 175.10 174.92 2jey s ARG 11 N -1.24 2.57 0.65 2.72 3.52 -1.26 0.44 118.95 126.36 2jey s ARG 11 Ca 0.13 -1.28 0.01 0.00 -0.13 0.00 0.00 55.73 54.46 2jey s ARG 11 Cb -0.10 -3.54 0.09 0.00 -1.56 0.00 0.00 34.95 29.84 2jey s ARG 11 CO 0.03 -0.75 0.90 0.14 -0.81 0.00 0.00 175.30 174.81 2jey s VAL 12 N 1.39 2.30 0.44 7.11 -7.23 -0.25 -4.86 120.40 119.30 2jey s VAL 12 Ca 0.00 -0.66 0.19 0.00 -1.81 0.00 0.00 61.98 59.70 2jey s VAL 12 Cb -0.20 -2.64 0.39 0.00 0.56 0.00 0.00 36.38 34.48 2jey s VAL 12 CO 0.02 0.00 1.88 0.03 -0.31 0.00 0.00 175.10 176.73 2jey h ARG 13 N -0.27 0.33 -0.01 4.82 2.47 -1.93 -1.46 114.38 118.33 2jey h ARG 13 Ca -0.37 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 2jey h ARG 13 Cb 1.28 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2jey h ARG 13 CO 0.44 0.22 -0.06 0.41 0.56 0.00 0.00 179.97 181.54 2jey n GLY 14 N -1.55 -0.29 0.00 0.04 0.00 -1.26 -4.93 105.19 97.20 2jey n GLY 14 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2jey n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 15 N 1.20 0.48 3.76 -0.02 0.00 -0.55 -0.44 105.19 109.62 2jey n GLY 15 Ca 0.18 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 2jey n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jey s GLN 16 N -0.53 3.06 -0.00 1.61 -0.21 -1.23 -1.09 119.66 121.26 2jey s GLN 16 Ca 0.00 -0.44 0.07 0.00 0.02 0.00 0.00 55.36 55.01 2jey s GLN 16 Cb 0.00 -2.86 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 2jey s GLN 16 CO 0.00 0.67 -0.23 -0.51 -2.12 0.00 0.00 175.29 173.10 2jey s LEU 17 N -1.46 2.07 -0.31 2.90 1.43 0.17 0.92 118.68 124.41 2jey s LEU 17 Ca 0.20 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2jey s LEU 17 Cb -0.12 -1.17 0.05 0.00 0.03 0.00 0.00 46.19 44.97 2jey s LEU 17 CO 0.10 0.27 0.03 -0.60 0.23 0.00 0.00 176.35 176.38 2jey s ARG 18 N -0.68 2.51 0.61 1.70 3.52 0.52 -1.49 118.95 125.64 2jey s ARG 18 Ca 0.09 -1.23 -0.10 0.00 -0.13 0.00 0.00 55.73 54.36 2jey s ARG 18 Cb -0.09 -3.27 0.14 0.00 -1.56 0.00 0.00 34.95 30.17 2jey s ARG 18 CO -0.00 -0.63 0.76 0.41 -0.81 0.00 0.00 175.30 175.03 2jey n GLY 19 N 4.69 -1.60 3.21 8.12 0.00 0.25 0.70 105.19 120.56 2jey n GLY 19 Ca -0.13 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 2jey n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jey s ILE 20 N -2.61 1.43 -0.27 -0.61 2.07 0.35 -4.67 121.20 116.89 2jey s ILE 20 Ca 0.44 -1.12 -0.19 0.00 -1.41 0.00 0.00 60.65 58.37 2jey s ILE 20 Cb -0.02 -1.26 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 2jey s ILE 20 CO 0.31 0.11 0.58 -0.60 -1.91 0.00 0.00 174.94 173.43 2jey s ARG 21 N -1.18 4.03 0.06 3.50 3.52 -1.26 0.26 118.95 127.87 2jey s ARG 21 Ca 0.05 0.37 0.03 0.00 -0.13 0.00 0.00 55.73 56.05 2jey s ARG 21 Cb -0.08 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 2jey s ARG 21 CO 0.02 -0.43 0.03 -0.51 -0.81 0.00 0.00 175.30 173.59 2jey s LEU 22 N 2.44 3.60 -0.15 -0.88 1.43 0.11 -4.92 118.68 120.30 2jey s LEU 22 Ca 0.24 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.04 2jey s LEU 22 Cb -0.15 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 2jey s LEU 22 CO 0.10 0.21 0.72 -0.54 0.23 0.00 0.00 176.35 177.07 2jey s LYS 23 N -2.09 4.31 0.22 1.70 -0.14 -1.26 -0.05 119.74 122.42 2jey s LYS 23 Ca 0.25 0.83 0.08 0.00 -1.36 0.00 0.00 55.97 55.77 2jey s LYS 23 Cb -0.12 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.46 2jey s LYS 23 CO 0.17 -0.18 0.06 0.00 -0.76 0.00 0.00 175.35 174.64 2jey s ALA 24 N 1.65 3.33 0.51 5.17 0.00 0.20 -4.91 121.76 127.71 2jey s ALA 24 Ca 0.35 -1.44 0.18 0.00 0.00 0.00 0.00 51.96 51.05 2jey s ALA 24 Cb -0.17 -1.05 1.27 0.00 0.00 0.00 0.00 23.12 23.17 2jey s ALA 24 CO 0.13 0.37 2.08 -1.35 0.00 0.00 0.00 175.76 176.99 2jey h PRO 25 N 2.16 0.07 -0.44 0.00 0.11 -1.96 0.30 132.00 132.23 2jey h PRO 25 Ca -0.47 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2jey h PRO 25 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2jey h PRO 25 CO 0.60 0.04 0.03 0.41 -0.21 0.00 0.00 178.00 178.88 2jey n GLY 26 N -1.57 3.66 0.00 -0.55 0.00 -1.26 -5.05 105.19 100.42 2jey n GLY 26 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2jey n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 27 N -0.09 0.95 3.91 -0.02 0.00 0.11 -5.03 105.19 105.02 2jey n GLY 27 Ca 0.27 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 2jey n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jey s PRO 28 N -1.39 3.59 0.06 1.61 0.04 -1.26 0.58 135.00 138.24 2jey s PRO 28 Ca 0.00 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.10 2jey s PRO 28 Cb 0.00 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2jey s PRO 28 CO 0.00 0.08 -0.12 0.14 0.04 0.00 0.00 177.00 177.14 2jey s VAL 29 N -2.31 0.95 -0.21 -0.36 -7.23 0.92 -3.17 120.40 108.98 2jey s VAL 29 Ca 0.45 -1.21 -0.24 0.00 -1.81 0.00 0.00 61.98 59.17 2jey s VAL 29 Cb -0.10 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.89 2jey s VAL 29 CO 0.35 -0.25 0.77 -0.44 -0.31 0.00 0.00 175.10 175.22 2jey s SER 30 N -1.64 6.82 -0.20 4.85 0.01 -0.60 0.04 113.70 122.98 2jey s SER 30 Ca -0.04 1.01 -0.03 0.00 1.31 0.00 0.00 55.95 58.20 2jey s SER 30 Cb -0.10 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2jey s SER 30 CO 0.02 -0.42 -0.07 0.00 0.41 0.00 0.00 173.24 173.18 2jey s ALA 31 N 2.43 2.76 -0.55 1.44 0.00 0.14 -0.79 121.76 127.18 2jey s ALA 31 Ca 0.34 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 2jey s ALA 31 Cb -0.16 -1.60 0.14 0.00 0.00 0.00 0.00 23.12 21.51 2jey s ALA 31 CO 0.10 -0.31 0.40 -0.06 0.00 0.00 0.00 175.76 175.88 2jey s PHE 32 N 1.28 3.49 0.18 0.00 0.40 0.24 -0.49 117.98 123.08 2jey s PHE 32 Ca 0.03 -2.30 0.04 0.00 -0.60 0.00 0.00 56.93 54.10 2jey s PHE 32 Cb -0.14 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 39.98 2jey s PHE 32 CO -0.03 -0.94 0.26 -0.51 0.70 0.00 0.00 175.22 174.71 2jey s LEU 33 N 0.68 4.19 -0.74 -0.37 1.43 0.76 -0.07 118.68 124.57 2jey s LEU 33 Ca 0.12 0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2jey s LEU 33 Cb -0.22 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2jey s LEU 33 CO -0.03 0.02 0.04 0.61 0.23 0.00 0.00 176.35 177.22 2jey n GLY 34 N -0.73 0.03 3.63 -3.19 0.00 -1.15 -3.82 105.19 99.96 2jey n GLY 34 Ca -0.08 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2jey n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jey s ILE 35 N -2.50 4.86 0.24 -0.61 1.01 -0.11 -4.82 121.20 119.28 2jey s ILE 35 Ca 0.02 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.76 2jey s ILE 35 Cb -0.01 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 2jey s ILE 35 CO 0.02 -0.09 1.28 -2.16 0.00 0.00 0.00 174.94 173.99 2jey s PRO 36 N 2.80 4.41 0.00 2.79 0.04 -1.26 -0.06 135.00 143.73 2jey s PRO 36 Ca 0.32 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2jey s PRO 36 Cb -0.15 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2jey s PRO 36 CO 0.09 -0.18 0.01 1.97 0.04 0.00 0.00 177.00 178.93 2jey n PHE 37 N 2.03 0.00 -4.07 0.56 1.16 -0.55 -4.87 117.46 111.72 2jey n PHE 37 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 2jey n PHE 37 Cb 0.43 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.19 2jey n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jey s ALA 38 N -0.60 0.48 0.21 1.98 0.00 -1.23 -2.82 121.76 119.79 2jey s ALA 38 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 51.96 50.67 2jey s ALA 38 Cb 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 23.12 23.16 2jey s ALA 38 CO 0.00 -0.23 1.45 0.39 0.00 0.00 0.00 175.76 177.38 2jey n GLU 39 N 0.76 2.03 -1.67 0.00 -0.58 0.12 -4.43 120.64 116.87 2jey n GLU 39 Ca -0.18 0.73 -0.57 0.00 -0.42 0.00 0.00 57.16 56.72 2jey n GLU 39 Cb 0.58 -2.41 -0.07 0.00 -0.57 0.00 0.00 31.44 28.97 2jey n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jey n PRO 40 N 2.44 1.02 -0.99 3.49 -0.02 -1.26 -4.62 135.00 135.06 2jey n PRO 40 Ca 0.13 0.37 -0.17 0.00 -2.02 0.00 0.00 63.50 61.81 2jey n PRO 40 Cb 0.30 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 2jey n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jey n PRO 41 N 4.28 2.25 -4.13 0.52 -0.04 -1.26 -4.86 135.00 131.75 2jey n PRO 41 Ca 0.24 -1.22 -0.32 0.00 -0.04 0.00 0.00 63.50 62.17 2jey n PRO 41 Cb 0.13 -2.16 -0.07 0.00 -0.04 0.00 0.00 33.50 31.36 2jey n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jey s VAL 42 N 1.48 4.44 0.00 0.52 -7.23 -1.26 -2.70 120.40 115.65 2jey s VAL 42 Ca 0.62 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 2jey s VAL 42 Cb 0.26 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2jey s VAL 42 CO -0.01 0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2jey n GLY 43 N 0.93 2.35 0.28 2.32 0.00 -1.26 -2.44 105.19 107.37 2jey n GLY 43 Ca -0.12 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.68 2jey n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jey h SER 44 N 0.00 0.00 1.10 1.61 4.64 -1.93 -2.34 113.55 116.63 2jey h SER 44 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2jey h SER 44 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2jey h SER 44 CO 0.00 0.08 -0.52 0.03 -0.87 0.00 0.00 176.83 175.55 2jey h ARG 45 N 0.00 0.00 -6.02 4.77 2.47 -1.75 -3.43 114.38 110.41 2jey h ARG 45 Ca -0.00 0.00 -0.77 0.00 -1.26 0.00 0.00 59.98 57.95 2jey h ARG 45 Cb 0.32 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.69 2jey h ARG 45 CO 0.01 0.52 0.04 -2.13 0.56 0.00 0.00 179.97 178.98 2jey n ARG 46 N -3.40 0.08 -0.21 0.04 0.63 -0.88 0.43 116.66 113.34 2jey n ARG 46 Ca 0.01 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2jey n ARG 46 Cb 0.66 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.07 2jey n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jey n PHE 47 N 1.45 0.00 -3.15 -0.14 3.72 -1.26 -4.93 117.46 113.16 2jey n PHE 47 Ca 0.20 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.28 2jey n PHE 47 Cb 0.10 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.22 2jey n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jey s MET 48 N -0.08 3.85 0.38 -1.08 -1.94 0.17 -4.23 119.30 116.37 2jey s MET 48 Ca 0.00 0.45 -0.25 0.00 -1.71 0.00 0.00 55.69 54.18 2jey s MET 48 Cb 0.00 -2.49 -0.12 0.00 2.01 0.00 0.00 34.83 34.23 2jey s MET 48 CO 0.00 0.15 0.94 -2.30 -0.01 0.00 0.00 175.02 173.80 2jey n PRO 49 N -0.63 1.23 -2.19 2.03 -0.02 -1.26 -4.90 135.00 129.26 2jey n PRO 49 Ca 0.02 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2jey n PRO 49 Cb 0.53 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2jey n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jey s PRO 50 N -1.79 4.39 0.07 0.52 0.04 -1.26 -5.03 135.00 131.94 2jey s PRO 50 Ca 0.62 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.78 2jey s PRO 50 Cb -0.61 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2jey s PRO 50 CO 0.58 -0.20 0.16 -1.83 0.04 0.00 0.00 177.00 175.76 2jey s GLU 51 N -0.85 3.24 0.37 4.56 -1.05 -1.26 -4.96 118.70 118.75 2jey s GLU 51 Ca 0.53 -0.53 -0.27 0.00 -0.15 0.00 0.00 54.97 54.55 2jey s GLU 51 Cb -0.38 -2.92 -0.12 0.00 -0.44 0.00 0.00 34.13 30.27 2jey s GLU 51 CO 0.44 0.59 1.18 -0.35 0.95 0.00 0.00 175.26 178.07 2jey n PRO 52 N 0.33 1.79 -1.87 -4.83 -0.04 -1.26 -0.70 135.00 128.42 2jey n PRO 52 Ca -0.06 0.63 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 2jey n PRO 52 Cb 0.51 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 2jey n PRO 52 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jey s LYS 53 N -1.94 4.17 0.49 0.54 2.47 -1.13 -3.91 119.74 120.43 2jey s LYS 53 Ca 0.59 2.48 -0.21 0.00 -1.56 0.00 0.00 55.97 57.27 2jey s LYS 53 Cb -0.57 -3.02 -0.07 0.00 -1.46 0.00 0.00 37.83 32.71 2jey s LYS 53 CO 0.60 -0.49 1.12 1.03 0.16 0.00 0.00 175.35 177.77 2jey s ARG 54 N -1.41 3.67 0.68 4.03 0.52 -1.26 -4.84 118.95 120.35 2jey s ARG 54 Ca 0.56 1.62 -0.17 0.00 -0.52 0.00 0.00 55.73 57.22 2jey s ARG 54 Cb -0.45 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 2jey s ARG 54 CO 0.55 -0.58 0.78 -2.30 0.02 0.00 0.00 175.30 173.76 2jey n PRO 55 N -0.80 0.51 -4.32 3.54 -0.02 -1.26 -5.00 135.00 127.65 2jey n PRO 55 Ca 0.09 0.22 -0.18 0.00 -2.02 0.00 0.00 63.50 61.61 2jey n PRO 55 Cb 0.50 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 2jey n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jey s TRP 56 N -1.78 1.61 0.19 6.00 -2.14 0.42 -5.03 118.94 118.20 2jey s TRP 56 Ca 0.71 -0.61 -0.06 0.00 2.66 0.00 0.00 56.10 58.80 2jey s TRP 56 Cb -0.37 -0.76 -0.06 0.00 -3.10 0.00 0.00 33.47 29.18 2jey s TRP 56 CO 0.52 0.29 0.45 -1.54 -2.66 0.00 0.00 176.95 174.01 2jey s SER 57 N -3.24 6.53 0.28 -2.66 1.04 -1.26 -4.60 113.70 109.78 2jey s SER 57 Ca 0.21 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2jey s SER 57 Cb -0.00 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2jey s SER 57 CO 0.05 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2jey n GLY 58 N -0.10 0.60 3.05 7.32 0.00 -1.26 -4.58 105.19 110.23 2jey n GLY 58 Ca -0.01 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 2jey n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jey s VAL 59 N 0.00 1.98 -0.07 1.61 1.01 -1.26 -3.54 120.40 120.13 2jey s VAL 59 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.37 2jey s VAL 59 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2jey s VAL 59 CO 0.00 0.13 1.59 -0.22 0.00 0.00 0.00 175.10 176.60 2jey s LEU 60 N 1.23 4.30 -0.09 3.92 2.96 0.26 -4.81 118.68 126.44 2jey s LEU 60 Ca -0.04 2.15 -0.29 0.00 -0.22 0.00 0.00 54.13 55.73 2jey s LEU 60 Cb -0.18 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 2jey s LEU 60 CO -0.08 -0.90 2.00 -0.62 -1.32 0.00 0.00 176.35 175.44 2jey s ASP 61 N 3.10 6.09 -0.32 3.68 3.68 -1.26 -0.36 116.67 131.28 2jey s ASP 61 Ca 0.70 2.23 0.07 0.00 2.13 0.00 0.00 52.55 57.68 2jey s ASP 61 Cb -0.31 -2.52 0.45 0.00 -1.45 0.00 0.00 42.92 39.08 2jey s ASP 61 CO 0.27 -1.40 1.17 0.00 0.13 0.00 0.00 175.17 175.34 2jey n ALA 62 N 9.15 5.00 0.63 3.66 0.00 0.22 -4.75 120.51 134.41 2jey n ALA 62 Ca 0.23 -3.89 0.07 0.00 0.00 0.00 0.00 53.44 49.85 2jey n ALA 62 Cb 0.43 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 2jey n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jey n THR 63 N -0.66 0.00 -4.38 0.00 -2.24 -1.18 -0.17 114.28 105.65 2jey n THR 63 Ca 0.42 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.81 2jey n THR 63 Cb 0.90 0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 69.95 2jey n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jey s THR 64 N -2.38 1.40 0.57 4.28 -1.32 -1.26 -4.77 115.64 112.15 2jey s THR 64 Ca 0.05 -1.23 -0.20 0.00 -1.21 0.00 0.00 61.69 59.09 2jey s THR 64 Cb 0.11 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 2jey s THR 64 CO 0.58 0.00 1.27 -0.36 -2.21 0.00 0.00 174.62 173.91 2jey s PHE 65 N -0.98 2.37 0.70 9.09 0.08 -1.26 -2.95 117.98 125.02 2jey s PHE 65 Ca 0.04 1.46 -0.03 0.00 0.12 0.00 0.00 56.93 58.52 2jey s PHE 65 Cb -0.09 -3.62 0.14 0.00 -0.57 0.00 0.00 43.02 38.88 2jey s PHE 65 CO 0.02 -2.49 0.96 1.04 -0.10 0.00 0.00 175.22 174.65 2jey n GLN 66 N -1.27 -0.27 -1.12 0.44 1.13 -1.26 -4.81 117.38 110.22 2jey n GLN 66 Ca 0.12 -2.32 -0.34 0.00 -1.94 0.00 0.00 57.00 52.52 2jey n GLN 66 Cb 0.47 -0.72 0.12 0.00 0.11 0.00 0.00 30.24 30.22 2jey n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jey n ASN 67 N -3.09 0.50 -4.80 1.08 3.02 -1.26 -4.80 115.26 105.91 2jey n ASN 67 Ca 0.15 0.57 -0.38 0.00 -0.03 0.00 0.00 54.58 54.89 2jey n ASN 67 Cb 0.53 -1.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.19 2jey n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jey s VAL 68 N -2.09 4.62 0.61 2.41 1.01 0.54 -4.60 120.40 122.89 2jey s VAL 68 Ca 0.71 1.34 -0.19 0.00 0.00 0.00 0.00 61.98 63.84 2jey s VAL 68 Cb -0.30 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2jey s VAL 68 CO 0.53 0.48 1.22 0.00 0.00 0.00 0.00 175.10 177.33 2jey s TYR 70 N -1.39 1.89 0.07 0.00 5.04 -1.13 -4.55 117.35 117.27 2jey s TYR 70 Ca 0.78 0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 55.74 2jey s TYR 70 Cb -0.40 -3.99 -0.02 0.00 0.35 0.00 0.00 41.96 37.89 2jey s TYR 70 CO 0.44 -3.50 0.08 1.14 -1.34 0.00 0.00 175.55 172.38 2jey s GLN 71 N 4.75 0.72 0.26 4.97 -2.07 -1.26 -4.65 119.66 122.37 2jey s GLN 71 Ca 0.77 -1.08 -0.31 0.00 -1.82 0.00 0.00 55.36 52.93 2jey s GLN 71 Cb -0.29 0.27 -0.13 0.00 -1.09 0.00 0.00 33.01 31.77 2jey s GLN 71 CO 0.31 -0.18 1.43 0.98 -1.32 0.00 0.00 175.29 176.50 2jey n TYR 72 N 0.07 2.29 -4.11 9.60 4.19 -1.25 -4.98 117.16 122.97 2jey n TYR 72 Ca -0.15 0.42 -0.35 0.00 3.31 0.00 0.00 57.90 61.13 2jey n TYR 72 Cb 0.61 -2.48 -0.10 0.00 0.49 0.00 0.00 39.34 37.87 2jey n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jey s VAL 73 N -0.17 4.64 0.14 2.97 1.01 -1.26 -4.86 120.40 122.85 2jey s VAL 73 Ca 0.66 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 2jey s VAL 73 Cb -0.61 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2jey s VAL 73 CO 0.51 0.50 1.04 -0.62 0.00 0.00 0.00 175.10 176.52 2jey s ASP 74 N 0.09 7.37 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.21 2jey s ASP 74 Ca 0.04 1.94 0.00 0.00 -0.52 0.00 0.00 52.55 54.01 2jey s ASP 74 Cb -0.12 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2jey s ASP 74 CO 0.01 -0.16 0.08 0.35 0.52 0.00 0.00 175.17 175.97 2jey n THR 75 N 2.69 0.00 -0.32 1.71 -2.24 -1.26 -4.79 114.28 110.08 2jey n THR 75 Ca 0.03 -0.47 0.19 0.00 -2.27 0.00 0.00 64.05 61.53 2jey n THR 75 Cb 0.48 1.01 0.39 0.00 -2.10 0.00 0.00 70.33 70.10 2jey n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jey h LEU 76 N 0.00 0.04 -6.79 3.22 5.85 -2.02 -3.10 115.31 112.51 2jey h LEU 76 Ca 0.00 0.23 -0.60 0.00 0.84 0.00 0.00 57.88 58.35 2jey h LEU 76 Cb 0.00 0.30 -0.40 0.00 0.37 0.00 0.00 40.66 40.94 2jey h LEU 76 CO 0.00 -0.26 -0.79 -0.31 -0.34 0.00 0.00 178.44 176.74 2jey s TYR 77 N -5.82 1.85 0.26 1.25 2.02 -1.26 -5.11 117.35 110.54 2jey s TYR 77 Ca -0.11 -2.44 -0.29 0.00 -0.37 0.00 0.00 57.07 53.85 2jey s TYR 77 Cb 0.29 -1.64 -0.09 0.00 -0.40 0.00 0.00 41.96 40.12 2jey s TYR 77 CO 0.78 -0.76 1.23 -2.14 -1.57 0.00 0.00 175.55 173.09 2jey s PRO 78 N 0.07 4.47 0.00 -1.71 0.02 -1.18 -2.21 135.00 134.47 2jey s PRO 78 Ca 0.23 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2jey s PRO 78 Cb -0.14 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2jey s PRO 78 CO -0.08 -0.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 2jey n GLY 79 N 1.47 3.13 3.65 0.52 0.00 -1.26 -5.00 105.19 107.70 2jey n GLY 79 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2jey n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jey s PHE 80 N -2.18 2.50 0.20 1.61 5.36 -0.94 -4.92 117.98 119.61 2jey s PHE 80 Ca 0.00 0.72 -0.11 0.00 -0.96 0.00 0.00 56.93 56.58 2jey s PHE 80 Cb 0.00 -3.73 0.23 0.00 -0.34 0.00 0.00 43.02 39.18 2jey s PHE 80 CO 0.00 -2.41 1.74 1.49 -1.46 0.00 0.00 175.22 174.58 2jey h GLU 81 N 9.06 0.35 -1.21 10.12 4.57 -1.95 -0.18 114.58 135.34 2jey h GLU 81 Ca -0.31 -0.02 0.40 0.00 -1.18 0.00 0.00 59.36 58.25 2jey h GLU 81 Cb 1.13 -0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 29.51 2jey h GLU 81 CO 0.98 0.23 0.76 0.78 -1.18 0.00 0.00 179.01 180.57 2jey h GLY 82 N 0.36 1.52 0.03 1.92 0.00 -1.91 -0.10 103.07 104.88 2jey h GLY 82 Ca 0.28 -0.15 -0.38 0.00 0.00 0.00 0.00 47.33 47.08 2jey h GLY 82 CO -0.29 -0.43 -2.42 -1.30 0.00 0.00 0.00 176.54 172.09 2jey n THR 83 N -4.80 1.45 0.23 4.70 -2.24 -0.63 -4.49 114.28 108.50 2jey n THR 83 Ca 0.35 -0.70 0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2jey n THR 83 Cb 1.29 -1.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.05 2jey n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jey h GLU 84 N 0.00 0.00 0.00 -0.78 4.39 -0.51 -2.11 114.58 115.58 2jey h GLU 84 Ca -0.56 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2jey h GLU 84 Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 2jey h GLU 84 CO -0.03 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 178.04 2jey n MET 85 N -3.57 0.09 -0.01 2.33 0.00 -0.10 -0.95 117.12 114.91 2jey n MET 85 Ca -0.01 0.48 0.07 0.00 0.00 0.00 0.00 57.70 58.25 2jey n MET 85 Cb 0.37 -1.73 -0.12 0.00 0.00 0.00 0.00 33.22 31.74 2jey n MET 85 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 2jey n TRP 86 N -1.91 0.00 -2.04 3.17 7.02 -0.80 -4.74 117.44 118.14 2jey n TRP 86 Ca 0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.13 2jey n TRP 86 Cb 0.09 -0.34 0.03 0.00 -2.42 0.00 0.00 31.31 28.67 2jey n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jey s ASN 87 N -3.71 5.27 0.20 -0.99 0.01 -0.13 -4.48 114.94 111.11 2jey s ASN 87 Ca -0.05 2.38 -0.32 0.00 -0.71 0.00 0.00 52.86 54.15 2jey s ASN 87 Cb 0.10 -2.60 -0.15 0.00 0.41 0.00 0.00 41.25 39.01 2jey s ASN 87 CO 0.62 -1.54 1.29 -0.81 -1.51 0.00 0.00 177.10 175.15 2jey n PRO 88 N -1.52 1.61 -0.56 -0.60 -0.04 -1.26 -4.86 135.00 127.77 2jey n PRO 88 Ca 0.13 0.57 0.03 0.00 -0.04 0.00 0.00 63.50 64.20 2jey n PRO 88 Cb 0.50 -2.15 0.22 0.00 -0.04 0.00 0.00 33.50 32.02 2jey n PRO 88 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jey n ASN 89 N 2.11 3.16 -3.59 3.54 6.94 -1.26 -4.96 115.26 121.20 2jey n ASN 89 Ca 0.13 -3.34 -0.13 0.00 -0.02 0.00 0.00 54.58 51.23 2jey n ASN 89 Cb 0.28 -0.57 -0.05 0.00 -2.36 0.00 0.00 39.78 37.07 2jey n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jey s ARG 90 N -3.01 1.71 0.28 -3.83 1.81 -1.26 -5.04 118.95 109.62 2jey s ARG 90 Ca 0.42 -1.60 -0.29 0.00 -1.72 0.00 0.00 55.73 52.54 2jey s ARG 90 Cb 0.36 0.43 -0.10 0.00 -0.45 0.00 0.00 34.95 35.19 2jey s ARG 90 CO 0.05 -0.70 1.29 -1.21 -0.68 0.00 0.00 175.30 174.05 2jey s GLU 91 N -3.48 4.40 0.57 3.54 0.41 -1.26 -4.53 118.70 118.36 2jey s GLU 91 Ca 0.29 2.12 -0.19 0.00 -0.41 0.00 0.00 54.97 56.78 2jey s GLU 91 Cb 0.00 -3.12 -0.04 0.00 -1.78 0.00 0.00 34.13 29.19 2jey s GLU 91 CO 0.16 -0.16 1.15 -0.51 -0.49 0.00 0.00 175.26 175.40 2jey s LEU 92 N -1.18 3.67 -0.27 1.80 1.43 -1.26 -0.34 118.68 122.54 2jey s LEU 92 Ca 0.51 2.21 -0.26 0.00 -1.03 0.00 0.00 54.13 55.55 2jey s LEU 92 Cb -0.38 -4.58 0.16 0.00 0.03 0.00 0.00 46.19 41.42 2jey s LEU 92 CO 0.46 -1.38 1.22 -0.55 0.23 0.00 0.00 176.35 176.34 2jey s SER 93 N -1.84 -0.24 0.63 2.29 0.15 0.11 -4.77 113.70 110.04 2jey s SER 93 Ca 0.73 0.40 0.40 0.00 0.70 0.00 0.00 55.95 58.18 2jey s SER 93 Cb -0.25 0.39 2.12 0.00 -1.71 0.00 0.00 66.02 66.57 2jey s SER 93 CO 0.31 -0.12 2.28 -0.33 1.20 0.00 0.00 173.24 176.58 2jey h GLU 94 N 3.26 0.00 -5.28 5.44 5.08 -1.92 -2.99 114.58 118.17 2jey h GLU 94 Ca -0.24 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.46 2jey h GLU 94 Cb 1.18 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 2jey h GLU 94 CO 0.18 0.01 0.84 0.34 -1.00 0.00 0.00 179.01 179.38 2jey s ASP 95 N -5.46 6.49 0.00 1.42 2.15 -1.26 -4.29 116.67 115.71 2jey s ASP 95 Ca -0.04 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.26 2jey s ASP 95 Cb 0.13 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 2jey s ASP 95 CO 0.46 -1.23 0.34 0.00 -0.17 0.00 0.00 175.17 174.58 2jey n LEU 97 N 0.00 6.23 -4.16 0.00 4.77 -1.26 -4.42 117.00 118.16 2jey n LEU 97 Ca 0.00 -4.27 -0.17 0.00 -0.03 0.00 0.00 56.01 51.54 2jey n LEU 97 Cb 0.52 -1.62 -0.12 0.00 -2.33 0.00 0.00 43.42 39.87 2jey n LEU 97 CO 0.00 0.94 -0.44 -0.31 -1.33 0.00 0.00 177.39 176.25 2jey s TYR 98 N 2.46 1.12 0.26 -1.77 2.02 -1.26 -1.48 117.35 118.70 2jey s TYR 98 Ca 0.46 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 2jey s TYR 98 Cb 0.09 -0.63 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 2jey s TYR 98 CO -0.02 0.03 -0.12 -0.48 -1.57 0.00 0.00 175.55 173.40 2jey s LEU 99 N -1.91 2.55 0.06 -1.29 0.05 0.92 -0.21 118.68 118.84 2jey s LEU 99 Ca -0.01 -1.10 0.08 0.00 0.05 0.00 0.00 54.13 53.15 2jey s LEU 99 Cb -0.08 -0.75 -0.03 0.00 -2.05 0.00 0.00 46.19 43.27 2jey s LEU 99 CO 0.02 -0.21 -0.22 0.20 -0.55 0.00 0.00 176.35 175.59 2jey s ASN 100 N -3.42 2.63 -0.12 1.48 0.01 0.15 -0.93 114.94 114.74 2jey s ASN 100 Ca 0.27 -0.59 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 2jey s ASN 100 Cb 0.01 -0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.49 2jey s ASN 100 CO 0.11 0.15 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.04 2jey s VAL 101 N -0.90 1.32 0.01 1.60 1.01 0.90 -0.82 120.40 123.52 2jey s VAL 101 Ca 0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2jey s VAL 101 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2jey s VAL 101 CO 0.03 0.41 0.15 0.26 0.00 0.00 0.00 175.10 175.95 2jey s TRP 102 N 1.41 3.44 0.15 5.22 0.51 0.15 0.83 118.94 130.65 2jey s TRP 102 Ca 0.01 0.28 -0.00 0.00 -2.12 0.00 0.00 56.10 54.27 2jey s TRP 102 Cb -0.13 -1.78 -0.04 0.00 -0.81 0.00 0.00 33.47 30.71 2jey s TRP 102 CO -0.07 0.60 0.05 0.95 -0.51 0.00 0.00 176.95 177.97 2jey s THR 103 N -1.32 0.27 0.66 2.01 -4.23 0.03 -1.21 115.64 111.84 2jey s THR 103 Ca 0.27 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 2jey s THR 103 Cb -0.12 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 2jey s THR 103 CO 0.19 -0.42 1.28 -2.84 -0.54 0.00 0.00 174.62 172.29 2jey s PRO 104 N -4.02 2.49 -0.24 3.99 0.02 -1.26 -1.56 135.00 134.43 2jey s PRO 104 Ca 0.26 2.01 -0.02 0.00 0.02 0.00 0.00 61.00 63.27 2jey s PRO 104 Cb 0.07 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.76 2jey s PRO 104 CO 0.04 -1.63 -0.06 -0.47 -0.33 0.00 0.00 177.00 174.55 2jey s TYR 105 N -1.49 3.02 0.66 6.54 6.04 -1.19 -0.99 117.35 129.93 2jey s TYR 105 Ca 0.81 -1.40 -0.14 0.00 0.04 0.00 0.00 57.07 56.38 2jey s TYR 105 Cb -0.36 -2.07 -0.00 0.00 -1.04 0.00 0.00 41.96 38.49 2jey s TYR 105 CO 0.40 -0.69 1.08 -1.25 -1.54 0.00 0.00 175.55 173.55 2jey s PRO 106 N 1.36 2.94 -0.10 4.97 0.04 -1.26 -4.70 135.00 138.26 2jey s PRO 106 Ca 0.02 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 2jey s PRO 106 Cb -0.16 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2jey s PRO 106 CO -0.05 -1.12 0.40 -2.13 0.04 0.00 0.00 177.00 174.14 2jey n ARG 107 N -2.54 0.00 -1.76 4.56 0.63 -0.16 -4.77 116.66 112.61 2jey n ARG 107 Ca 0.09 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.63 2jey n ARG 107 Cb 0.53 -0.41 0.04 0.00 0.45 0.00 0.00 32.46 33.06 2jey n ARG 107 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2jey s PRO 108 N 0.59 3.28 0.02 -0.14 0.04 -1.26 -4.92 135.00 132.60 2jey s PRO 108 Ca 0.28 2.31 -0.24 0.00 0.04 0.00 0.00 61.00 63.39 2jey s PRO 108 Cb -0.39 -2.37 -0.17 0.00 0.04 0.00 0.00 34.50 31.60 2jey s PRO 108 CO 0.20 -1.11 1.38 0.00 0.04 0.00 0.00 177.00 177.52 2jey h ALA 109 N 1.69 0.06 -2.79 8.56 0.00 -1.94 -3.44 119.26 121.41 2jey h ALA 109 Ca -0.51 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 53.60 2jey h ALA 109 Cb 1.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2jey h ALA 109 CO 0.58 -0.22 -0.51 -1.54 0.00 0.00 0.00 179.25 177.56 2jey s SER 110 N -5.69 6.11 0.08 0.00 1.04 -1.26 -5.05 113.70 108.94 2jey s SER 110 Ca -0.15 0.14 -0.36 0.00 0.48 0.00 0.00 55.95 56.05 2jey s SER 110 Cb 0.03 -1.80 -0.16 0.00 0.10 0.00 0.00 66.02 64.19 2jey s SER 110 CO 0.69 0.11 1.40 -2.65 0.98 0.00 0.00 173.24 173.77 2jey n PRO 111 N -0.08 1.32 -5.16 4.02 -0.02 -1.26 -4.88 135.00 128.93 2jey n PRO 111 Ca -0.07 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 2jey n PRO 111 Cb 0.53 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 2jey n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jey s THR 112 N 0.70 2.31 0.09 3.45 2.01 0.15 -4.70 115.64 119.65 2jey s THR 112 Ca 0.84 -0.98 -0.36 0.00 0.31 0.00 0.00 61.69 61.51 2jey s THR 112 Cb -0.91 -1.86 -0.15 0.00 0.01 0.00 0.00 72.50 69.58 2jey s THR 112 CO 0.46 0.57 1.47 -2.65 -0.69 0.00 0.00 174.62 173.78 2jey n PRO 113 N 2.87 1.55 -3.51 4.92 -0.02 -1.26 0.46 135.00 140.01 2jey n PRO 113 Ca -0.17 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.49 2jey n PRO 113 Cb 0.52 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2jey n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jey s VAL 114 N 0.93 5.20 -0.21 -1.45 1.01 0.49 -2.77 120.40 123.60 2jey s VAL 114 Ca 0.83 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.45 2jey s VAL 114 Cb -0.85 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 2jey s VAL 114 CO 0.45 0.46 0.03 -0.76 0.00 0.00 0.00 175.10 175.28 2jey s LEU 115 N -0.17 3.45 -0.25 3.92 1.43 0.17 -0.43 118.68 126.81 2jey s LEU 115 Ca 0.21 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2jey s LEU 115 Cb -0.15 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2jey s LEU 115 CO 0.08 0.07 0.13 -0.63 0.23 0.00 0.00 176.35 176.24 2jey s ILE 116 N 0.96 4.96 -0.09 -0.59 1.01 0.22 -0.08 121.20 127.59 2jey s ILE 116 Ca 0.03 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 2jey s ILE 116 Cb -0.14 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2jey s ILE 116 CO 0.02 0.33 0.51 0.86 0.00 0.00 0.00 174.94 176.66 2jey s TRP 117 N 1.36 3.55 -0.22 3.97 -0.11 0.31 0.73 118.94 128.54 2jey s TRP 117 Ca 0.06 0.97 -0.02 0.00 1.22 0.00 0.00 56.10 58.34 2jey s TRP 117 Cb -0.15 -2.57 0.01 0.00 -1.50 0.00 0.00 33.47 29.26 2jey s TRP 117 CO 0.06 0.21 -0.10 0.42 -4.62 0.00 0.00 176.95 172.92 2jey s ILE 118 N 0.45 2.79 0.79 5.86 1.01 0.83 -3.69 121.20 129.23 2jey s ILE 118 Ca 0.28 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 2jey s ILE 118 Cb -0.16 -2.29 0.06 0.00 0.01 0.00 0.00 42.46 40.09 2jey s ILE 118 CO 0.12 0.39 1.09 -0.72 0.00 0.00 0.00 174.94 175.82 2jey s TYR 119 N 1.37 2.68 0.00 3.97 -0.85 -1.26 -3.09 117.35 120.17 2jey s TYR 119 Ca 0.04 1.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.98 2jey s TYR 119 Cb -0.15 -3.05 0.00 0.00 0.38 0.00 0.00 41.96 39.15 2jey s TYR 119 CO -0.07 -1.80 0.00 0.41 -1.52 0.00 0.00 175.55 172.57 2jey n GLY 120 N -1.52 0.78 0.00 5.49 0.00 -1.16 -1.85 105.19 106.94 2jey n GLY 120 Ca 0.08 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2jey n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 121 N 5.00 1.98 2.34 -0.02 0.00 -1.26 -3.96 105.19 109.28 2jey n GLY 121 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jey n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 122 N -0.07 0.42 3.67 -0.02 0.00 -1.26 0.67 105.19 108.60 2jey n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jey n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jey n PHE 123 N -2.94 0.00 0.45 1.61 3.72 -1.26 -4.71 117.46 114.32 2jey n PHE 123 Ca -0.18 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.27 2jey n PHE 123 Cb 0.59 -1.26 -0.04 0.00 -0.94 0.00 0.00 39.48 37.83 2jey n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jey n TYR 124 N -2.03 0.00 -3.24 1.38 0.18 0.94 0.90 117.16 115.30 2jey n TYR 124 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2jey n TYR 124 Cb 0.06 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 2jey n TYR 124 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2jey n SER 125 N -0.98 0.00 0.00 9.48 3.41 0.21 -3.82 113.62 121.92 2jey n SER 125 Ca 0.02 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 2jey n SER 125 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2jey n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jey n GLY 126 N 0.00 1.95 3.52 5.00 0.00 -1.25 -4.08 105.19 110.32 2jey n GLY 126 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 2jey n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey s ALA 127 N -2.36 -1.83 -1.82 4.61 0.00 -1.26 -4.67 121.76 114.43 2jey s ALA 127 Ca 0.00 1.21 0.10 0.00 0.00 0.00 0.00 51.96 53.28 2jey s ALA 127 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 23.12 23.45 2jey s ALA 127 CO 0.00 -0.51 1.24 0.00 0.00 0.00 0.00 175.76 176.50 2jey n ALA 128 N 0.30 2.54 0.55 0.00 0.00 -1.26 -3.72 120.51 118.92 2jey n ALA 128 Ca -0.12 -0.67 0.06 0.00 0.00 0.00 0.00 53.44 52.71 2jey n ALA 128 Cb 0.60 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2jey n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jey n SER 129 N 0.52 1.22 -4.76 0.00 3.41 -1.26 -4.84 113.62 107.91 2jey n SER 129 Ca 0.12 -1.11 -0.36 0.00 -0.26 0.00 0.00 58.87 57.27 2jey n SER 129 Cb 0.36 0.57 0.03 0.00 -0.26 0.00 0.00 64.21 64.91 2jey n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jey s LEU 130 N -1.92 3.66 0.23 1.04 1.43 -1.24 -4.89 118.68 116.99 2jey s LEU 130 Ca 0.09 2.34 -0.07 0.00 -1.03 0.00 0.00 54.13 55.47 2jey s LEU 130 Cb 0.10 -4.59 0.30 0.00 0.03 0.00 0.00 46.19 42.02 2jey s LEU 130 CO 0.34 -1.55 1.85 0.44 0.23 0.00 0.00 176.35 177.66 2jey h ASP 131 N 0.89 0.79 0.01 2.29 3.32 -1.94 -1.88 116.42 119.90 2jey h ASP 131 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jey h ASP 131 Cb 1.29 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2jey h ASP 131 CO 0.55 0.52 0.00 -0.37 -1.72 0.00 0.00 179.24 178.22 2jey h VAL 132 N 0.93 0.00 -0.66 -1.35 -1.51 -1.90 0.37 116.25 112.13 2jey h VAL 132 Ca 0.35 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 2jey h VAL 132 Cb 0.14 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 2jey h VAL 132 CO -0.16 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 174.96 2jey n TYR 133 N -2.76 1.41 -1.63 5.19 4.01 -0.71 -4.26 117.16 118.41 2jey n TYR 133 Ca -0.02 -0.60 -0.43 0.00 -0.16 0.00 0.00 57.90 56.69 2jey n TYR 133 Cb 0.06 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.85 2jey n TYR 133 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2jey n ASP 134 N 1.19 3.65 -0.43 7.72 -0.08 0.13 -4.85 116.55 123.89 2jey n ASP 134 Ca 0.26 0.52 0.10 0.00 -1.51 0.00 0.00 54.79 54.16 2jey n ASP 134 Cb 0.85 -1.54 0.41 0.00 2.34 0.00 0.00 41.12 43.19 2jey n ASP 134 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jey n GLY 135 N 5.23 -0.01 0.09 0.27 0.00 -1.26 -4.20 105.19 105.32 2jey n GLY 135 Ca 0.26 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2jey n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jey h ARG 136 N 1.72 0.19 -0.17 1.61 0.11 -1.88 -1.03 114.38 114.93 2jey h ARG 136 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2jey h ARG 136 Cb 0.38 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2jey h ARG 136 CO 0.00 0.17 0.11 0.74 0.10 0.00 0.00 179.97 181.09 2jey h PHE 137 N 0.16 0.21 0.00 4.08 0.04 -1.75 0.13 116.94 119.81 2jey h PHE 137 Ca 0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2jey h PHE 137 Cb 0.03 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2jey h PHE 137 CO -0.05 0.15 -0.19 -0.07 -0.60 0.00 0.00 178.31 177.54 2jey h LEU 138 N 0.22 0.00 0.04 1.54 3.38 -1.64 0.40 115.31 119.25 2jey h LEU 138 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jey h LEU 138 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jey h LEU 138 CO -0.01 0.19 -0.02 0.00 0.09 0.00 0.00 178.44 178.69 2jey h ALA 139 N 1.81 -0.05 0.16 1.53 0.00 -0.38 -1.21 119.26 121.12 2jey h ALA 139 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jey h ALA 139 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jey h ALA 139 CO 0.02 -0.24 -0.08 0.37 0.00 0.00 0.00 179.25 179.33 2jey h GLN 140 N -0.63 -0.21 -0.54 0.00 -0.00 -0.11 -0.01 115.11 113.61 2jey h GLN 140 Ca -0.01 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 2jey h GLN 140 Cb 0.57 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.05 2jey h GLN 140 CO 0.01 -0.14 0.29 0.28 0.00 0.00 0.00 178.83 179.27 2jey h VAL 141 N -0.93 0.98 -0.01 2.39 2.07 -0.42 -3.19 116.25 117.14 2jey h VAL 141 Ca -0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2jey h VAL 141 Cb 0.17 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2jey h VAL 141 CO 0.04 0.10 -0.10 -0.62 0.02 0.00 0.00 177.57 177.01 2jey n GLU 142 N -4.85 1.25 -1.17 1.57 -0.58 -1.13 -4.97 120.64 110.76 2jey n GLU 142 Ca 0.05 -1.09 -0.06 0.00 -0.42 0.00 0.00 57.16 55.64 2jey n GLU 142 Cb 0.13 -1.23 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 2jey n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jey n GLY 143 N 0.85 0.78 3.76 0.62 0.00 -0.02 -4.96 105.19 106.21 2jey n GLY 143 Ca 0.07 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2jey n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey s ALA 144 N -2.04 3.41 -0.21 4.61 0.00 -0.48 -4.73 121.76 122.32 2jey s ALA 144 Ca 0.00 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 2jey s ALA 144 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2jey s ALA 144 CO 0.00 -0.18 0.95 0.08 0.00 0.00 0.00 175.76 176.61 2jey s VAL 145 N -0.99 4.76 -0.13 0.00 1.01 -1.11 -3.94 120.40 120.00 2jey s VAL 145 Ca 0.46 1.85 0.03 0.00 0.00 0.00 0.00 61.98 64.31 2jey s VAL 145 Cb -0.32 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.84 2jey s VAL 145 CO 0.40 -0.10 -0.21 -0.22 0.00 0.00 0.00 175.10 174.97 2jey s LEU 146 N 2.82 2.05 -0.00 3.92 0.20 -0.35 -0.65 118.68 126.66 2jey s LEU 146 Ca 0.41 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.74 2jey s LEU 146 Cb -0.16 -1.38 -0.02 0.00 -0.43 0.00 0.00 46.19 44.19 2jey s LEU 146 CO 0.09 0.09 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.31 2jey s VAL 147 N 0.74 2.34 -0.03 1.68 1.01 0.88 -0.68 120.40 126.34 2jey s VAL 147 Ca -0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 2jey s VAL 147 Cb -0.16 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2jey s VAL 147 CO 0.00 0.50 0.05 -0.94 0.00 0.00 0.00 175.10 174.71 2jey s SER 148 N -0.90 0.04 0.24 3.32 1.04 0.00 0.11 113.70 117.55 2jey s SER 148 Ca 0.11 0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.69 2jey s SER 148 Cb -0.10 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 2jey s SER 148 CO 0.01 -0.13 0.26 0.00 0.98 0.00 0.00 173.24 174.36 2jey s MET 149 N 1.08 3.16 0.24 4.02 0.23 -1.24 0.34 119.30 127.13 2jey s MET 149 Ca -0.09 -0.90 -0.15 0.00 -1.03 0.00 0.00 55.69 53.52 2jey s MET 149 Cb -0.13 -2.72 -0.08 0.00 -1.53 0.00 0.00 34.83 30.37 2jey s MET 149 CO -0.03 0.42 0.65 -0.80 -2.03 0.00 0.00 175.02 173.23 2jey s ASN 150 N -3.83 6.82 0.03 -1.18 0.01 0.70 -4.43 114.94 113.06 2jey s ASN 150 Ca 0.33 1.19 0.02 0.00 -0.71 0.00 0.00 52.86 53.69 2jey s ASN 150 Cb -0.09 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 2jey s ASN 150 CO 0.27 -0.05 -0.07 -0.72 -1.51 0.00 0.00 177.10 175.02 2jey s TYR 151 N -1.73 0.58 0.32 2.20 1.13 -1.26 -4.39 117.35 114.20 2jey s TYR 151 Ca 0.46 -0.45 -0.29 0.00 -1.41 0.00 0.00 57.07 55.38 2jey s TYR 151 Cb -0.13 -0.35 -0.11 0.00 -1.10 0.00 0.00 41.96 40.27 2jey s TYR 151 CO 0.19 -0.09 1.55 1.03 -2.51 0.00 0.00 175.55 175.73 2jey s ARG 152 N -1.36 4.12 0.42 -3.49 0.52 -1.26 -4.83 118.95 113.07 2jey s ARG 152 Ca -0.09 2.57 0.07 0.00 -0.52 0.00 0.00 55.73 57.75 2jey s ARG 152 Cb -0.09 -3.01 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 2jey s ARG 152 CO 0.00 -0.59 0.13 0.14 0.02 0.00 0.00 175.30 175.00 2jey s VAL 153 N -0.36 2.19 0.00 3.52 -7.23 -1.26 -3.83 120.40 113.43 2jey s VAL 153 Ca 0.60 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2jey s VAL 153 Cb -0.47 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.50 2jey s VAL 153 CO 0.53 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 2jey n GLY 154 N -1.17 1.46 0.35 2.32 0.00 0.26 -1.45 105.19 106.96 2jey n GLY 154 Ca -0.03 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.63 2jey n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jey h THR 155 N 0.00 0.64 -0.44 2.61 1.35 -1.89 0.83 112.91 116.01 2jey h THR 155 Ca 0.00 -0.24 -0.06 0.00 -0.55 0.00 0.00 66.41 65.56 2jey h THR 155 Cb 0.00 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.29 2jey h THR 155 CO 0.00 0.13 0.03 -0.26 -0.25 0.00 0.00 175.52 175.16 2jey h PHE 156 N 0.69 0.82 0.00 4.73 0.04 -1.75 0.50 116.94 121.97 2jey h PHE 156 Ca 0.61 -0.13 -0.20 0.00 2.80 0.00 0.00 57.97 61.04 2jey h PHE 156 Cb 1.04 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 2jey h PHE 156 CO -0.00 0.80 -1.09 0.78 -0.60 0.00 0.00 178.31 178.19 2jey h GLY 157 N 0.61 0.00 0.00 -1.45 0.00 0.10 -3.35 103.07 98.98 2jey h GLY 157 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2jey h GLY 157 CO 0.02 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.25 2jey n PHE 158 N -3.21 0.00 -1.57 5.60 3.72 0.27 -0.67 117.46 121.61 2jey n PHE 158 Ca -0.04 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.90 2jey n PHE 158 Cb 0.91 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.40 2jey n PHE 158 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2jey n LEU 159 N -0.29 3.00 -4.31 4.37 0.00 0.15 -4.46 117.00 115.46 2jey n LEU 159 Ca 0.00 0.44 -0.32 0.00 0.00 0.00 0.00 56.01 56.13 2jey n LEU 159 Cb 0.02 -1.43 -0.16 0.00 0.00 0.00 0.00 43.42 41.86 2jey n LEU 159 CO 0.00 -0.54 -0.52 0.00 0.00 0.00 0.00 177.39 176.33 2jey s ALA 160 N 7.05 2.33 -0.76 1.96 0.00 -1.26 -4.34 121.76 126.74 2jey s ALA 160 Ca 1.02 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 2jey s ALA 160 Cb -0.57 -0.85 0.19 0.00 0.00 0.00 0.00 23.12 21.90 2jey s ALA 160 CO 0.43 0.38 0.62 -0.51 0.00 0.00 0.00 175.76 176.68 2jey s LEU 161 N -0.07 5.60 0.27 0.00 1.43 0.36 -3.28 118.68 122.99 2jey s LEU 161 Ca -0.05 -3.14 -0.30 0.00 -1.03 0.00 0.00 54.13 49.61 2jey s LEU 161 Cb -0.14 -1.94 -0.13 0.00 0.03 0.00 0.00 46.19 44.01 2jey s LEU 161 CO 0.04 -0.33 1.29 -2.65 0.23 0.00 0.00 176.35 174.93 2jey n PRO 162 N 3.15 1.88 0.00 1.29 -0.02 -1.26 -0.38 135.00 139.67 2jey n PRO 162 Ca 0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2jey n PRO 162 Cb 0.39 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2jey n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jey n GLY 163 N 1.57 2.64 3.78 -1.23 0.00 -1.26 -5.03 105.19 105.65 2jey n GLY 163 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2jey n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jey s SER 164 N -1.83 4.88 0.05 1.61 1.04 0.49 -4.96 113.70 114.98 2jey s SER 164 Ca 0.00 1.82 0.03 0.00 0.48 0.00 0.00 55.95 58.29 2jey s SER 164 Cb 0.00 -2.52 -0.25 0.00 0.10 0.00 0.00 66.02 63.35 2jey s SER 164 CO 0.00 -1.78 1.01 -0.09 0.98 0.00 0.00 173.24 173.36 2jey h ARG 165 N -0.69 0.12 -0.02 4.02 2.43 -1.96 -3.33 114.38 114.95 2jey h ARG 165 Ca -0.44 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 2jey h ARG 165 Cb 1.23 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2jey h ARG 165 CO 0.53 0.97 -0.21 -0.85 -1.51 0.00 0.00 179.97 178.91 2jey n GLU 166 N -3.35 1.63 -2.90 0.20 0.00 -1.26 -4.38 120.64 110.58 2jey n GLU 166 Ca -0.10 -1.29 -0.12 0.00 0.00 0.00 0.00 57.16 55.66 2jey n GLU 166 Cb 1.01 -1.38 0.05 0.00 0.00 0.00 0.00 31.44 31.11 2jey n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jey n ALA 167 N 0.51 0.21 0.29 -1.84 0.00 -1.26 -4.18 120.51 114.24 2jey n ALA 167 Ca 0.10 -2.16 0.18 0.00 0.00 0.00 0.00 53.44 51.55 2jey n ALA 167 Cb 0.45 -1.08 0.88 0.00 0.00 0.00 0.00 19.45 19.70 2jey n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jey h PRO 168 N 3.03 0.00 0.00 0.00 0.13 -1.74 0.10 132.00 133.53 2jey h PRO 168 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2jey h PRO 168 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2jey h PRO 168 CO 0.27 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.45 2jey n GLY 169 N -0.78 0.30 2.40 1.56 0.00 -1.26 -4.54 105.19 102.87 2jey n GLY 169 Ca -0.01 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 2jey n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jey n ASN 170 N -0.82 -4.77 0.10 1.61 3.02 -1.25 -4.89 115.26 108.25 2jey n ASN 170 Ca 0.00 0.27 -0.05 0.00 -0.03 0.00 0.00 54.58 54.77 2jey n ASN 170 Cb 0.00 -3.70 0.06 0.00 -0.61 0.00 0.00 39.78 35.53 2jey n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jey h VAL 171 N 0.00 1.51 -0.64 2.41 -1.51 -1.63 0.41 116.25 116.79 2jey h VAL 171 Ca -0.33 -2.50 0.02 0.00 -1.23 0.00 0.00 66.70 62.66 2jey h VAL 171 Cb 1.07 2.35 -0.03 0.00 -2.13 0.00 0.00 31.29 32.55 2jey h VAL 171 CO 0.45 0.72 0.42 1.23 -1.23 0.00 0.00 177.57 179.16 2jey h GLY 172 N 2.04 0.89 1.84 5.19 0.00 -1.07 1.25 103.07 113.21 2jey h GLY 172 Ca -0.02 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 2jey h GLY 172 CO 0.11 0.31 -0.83 1.41 0.00 0.00 0.00 176.54 177.53 2jey h LEU 173 N 0.83 0.18 -0.30 3.11 3.38 -1.33 -1.85 115.31 119.33 2jey h LEU 173 Ca 0.24 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2jey h LEU 173 Cb -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2jey h LEU 173 CO -0.06 0.93 -0.34 -0.07 0.09 0.00 0.00 178.44 178.99 2jey h LEU 174 N 0.08 0.83 -0.65 1.67 3.38 0.12 0.19 115.31 120.93 2jey h LEU 174 Ca -0.03 -0.48 0.11 0.00 0.09 0.00 0.00 57.88 57.56 2jey h LEU 174 Cb 1.44 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 2jey h LEU 174 CO 0.12 1.14 -0.36 0.44 0.09 0.00 0.00 178.44 179.88 2jey h ASP 175 N 0.53 -1.26 -0.32 -0.43 3.32 0.16 0.31 116.42 118.73 2jey h ASP 175 Ca 0.04 0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.34 2jey h ASP 175 Cb 0.93 0.62 -0.02 0.00 0.22 0.00 0.00 39.33 41.08 2jey h ASP 175 CO 0.08 -0.31 0.20 1.56 -1.72 0.00 0.00 179.24 179.06 2jey h GLN 176 N -0.15 0.40 -0.72 3.56 4.20 -0.80 -0.22 115.11 121.38 2jey h GLN 176 Ca 0.24 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.02 2jey h GLN 176 Cb 0.56 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 2jey h GLN 176 CO -0.73 0.27 0.48 -0.09 -0.67 0.00 0.00 178.83 178.09 2jey h ARG 177 N 0.41 0.58 -0.29 1.46 2.43 0.54 -0.20 114.38 119.30 2jey h ARG 177 Ca 0.12 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2jey h ARG 177 Cb -0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2jey h ARG 177 CO -0.04 0.38 -0.06 1.25 -1.51 0.00 0.00 179.97 179.99 2jey h LEU 178 N 0.59 0.56 -1.53 3.80 5.85 0.12 0.84 115.31 125.56 2jey h LEU 178 Ca 0.33 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jey h LEU 178 Cb 0.51 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2jey h LEU 178 CO -0.12 0.79 0.35 0.00 -0.34 0.00 0.00 178.44 179.13 2jey h ALA 179 N 0.79 1.72 -0.24 1.25 0.00 0.02 0.74 119.26 123.55 2jey h ALA 179 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2jey h ALA 179 Cb 0.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jey h ALA 179 CO 0.03 0.22 -0.19 -0.07 0.00 0.00 0.00 179.25 179.23 2jey h LEU 180 N 0.62 0.58 -0.36 0.00 4.07 -0.34 0.30 115.31 120.19 2jey h LEU 180 Ca 0.21 -0.45 0.03 0.00 0.08 0.00 0.00 57.88 57.75 2jey h LEU 180 Cb 0.08 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 2jey h LEU 180 CO -0.05 0.91 0.17 1.56 -1.08 0.00 0.00 178.44 179.95 2jey h GLN 181 N 0.26 0.35 -0.75 1.13 4.20 0.28 0.44 115.11 121.01 2jey h GLN 181 Ca 0.04 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.81 2jey h GLN 181 Cb 0.73 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 2jey h GLN 181 CO 0.05 0.23 0.41 2.35 -0.67 0.00 0.00 178.83 181.20 2jey h TRP 182 N 0.36 0.75 -0.48 2.96 7.01 0.89 0.43 115.95 127.87 2jey h TRP 182 Ca 0.15 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 2jey h TRP 182 Cb 0.08 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2jey h TRP 182 CO -0.11 0.32 0.17 0.28 -2.79 0.00 0.00 178.44 176.32 2jey h VAL 183 N 0.72 1.22 -0.80 2.65 2.07 0.41 0.12 116.25 122.64 2jey h VAL 183 Ca 0.35 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2jey h VAL 183 Cb 0.29 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2jey h VAL 183 CO -0.22 0.26 0.51 1.56 0.02 0.00 0.00 177.57 179.69 2jey h GLN 184 N 0.63 0.98 0.00 1.57 1.08 0.12 0.16 115.11 119.65 2jey h GLN 184 Ca 0.16 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 2jey h GLN 184 Cb 0.23 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2jey h GLN 184 CO -0.01 0.65 -0.55 0.93 -0.95 0.00 0.00 178.83 178.90 2jey h GLU 185 N 1.01 0.00 0.00 1.46 5.08 0.11 -3.40 114.58 118.84 2jey h GLU 185 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2jey h GLU 185 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jey h GLU 185 CO -0.10 0.45 -0.73 0.09 -1.00 0.00 0.00 179.01 177.73 2jey n ASN 186 N -3.19 3.63 0.21 1.42 3.02 0.38 -4.77 115.26 115.96 2jey n ASN 186 Ca 0.01 -0.02 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 2jey n ASN 186 Cb 0.73 0.76 0.46 0.00 -0.61 0.00 0.00 39.78 41.12 2jey n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jey h ILE 187 N 0.00 0.85 -0.47 2.41 6.09 -0.84 -1.68 117.51 123.88 2jey h ILE 187 Ca 0.00 -1.17 0.08 0.00 -1.37 0.00 0.00 64.86 62.40 2jey h ILE 187 Cb 0.00 1.71 -0.06 0.00 0.47 0.00 0.00 36.82 38.93 2jey h ILE 187 CO 0.00 0.29 0.10 0.00 -3.07 0.00 0.00 178.15 175.47 2jey h ALA 188 N 1.71 0.53 0.00 0.18 0.00 -1.77 0.36 119.26 120.27 2jey h ALA 188 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jey h ALA 188 Cb 0.68 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2jey h ALA 188 CO 0.04 -0.30 0.52 0.00 0.00 0.00 0.00 179.25 179.51 2jey h ALA 189 N 1.36 1.44 -0.01 0.00 0.00 -1.60 0.61 119.26 121.06 2jey h ALA 189 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jey h ALA 189 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jey h ALA 189 CO -0.29 -0.44 -0.14 1.19 0.00 0.00 0.00 179.25 179.57 2jey n PHE 190 N -2.33 0.00 0.00 0.00 3.01 0.11 -4.81 117.46 113.44 2jey n PHE 190 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jey n PHE 190 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 2jey n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jey n GLY 191 N 0.85 1.36 3.60 1.37 0.00 0.21 -4.42 105.19 108.17 2jey n GLY 191 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2jey n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 192 N -2.00 -0.44 3.25 -0.02 0.00 -0.25 0.34 105.19 106.06 2jey n GLY 192 Ca 0.00 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2jey n GLY 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jey s ASP 193 N -1.37 5.60 0.00 1.61 2.15 0.17 -3.28 116.67 121.56 2jey s ASP 193 Ca 0.75 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 52.12 2jey s ASP 193 Cb -0.39 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2jey s ASP 193 CO 0.48 -0.56 0.49 -0.81 -0.17 0.00 0.00 175.17 174.60 2jey n PRO 194 N 4.89 0.58 0.00 4.34 -0.04 -1.26 -1.08 135.00 142.42 2jey n PRO 194 Ca -0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2jey n PRO 194 Cb 0.42 -1.09 0.01 0.00 -0.04 0.00 0.00 33.50 32.80 2jey n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jey n MET 195 N -0.28 1.14 -3.51 0.54 2.81 -1.26 -4.62 117.12 111.95 2jey n MET 195 Ca 0.00 -0.59 -0.27 0.00 -1.81 0.00 0.00 57.70 55.03 2jey n MET 195 Cb 0.05 -1.00 -0.10 0.00 -0.71 0.00 0.00 33.22 31.46 2jey n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jey n SER 196 N -0.07 1.32 -4.46 7.83 2.88 -0.24 -4.91 113.62 115.96 2jey n SER 196 Ca 0.02 -2.84 -0.35 0.00 -1.33 0.00 0.00 58.87 54.37 2jey n SER 196 Cb 0.11 -0.65 -0.12 0.00 -0.75 0.00 0.00 64.21 62.80 2jey n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jey s VAL 197 N -1.01 4.11 -0.17 2.46 1.01 -1.25 -0.38 120.40 125.17 2jey s VAL 197 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2jey s VAL 197 Cb 0.06 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 2jey s VAL 197 CO -0.15 0.41 -0.13 -0.89 0.00 0.00 0.00 175.10 174.34 2jey s THR 198 N 1.12 2.85 0.03 3.92 2.01 0.43 -0.45 115.64 125.55 2jey s THR 198 Ca 0.03 -0.70 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 2jey s THR 198 Cb -0.14 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.08 2jey s THR 198 CO 0.02 0.50 0.67 -0.76 -0.69 0.00 0.00 174.62 174.36 2jey s LEU 199 N 0.92 4.45 0.04 4.42 1.43 -0.59 0.69 118.68 130.03 2jey s LEU 199 Ca -0.03 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2jey s LEU 199 Cb -0.15 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 2jey s LEU 199 CO -0.01 0.08 -0.06 0.72 0.23 0.00 0.00 176.35 177.32 2jey s PHE 200 N -0.25 0.52 -0.02 0.29 -0.71 0.22 0.15 117.98 118.19 2jey s PHE 200 Ca 0.34 -0.59 -0.30 0.00 -1.04 0.00 0.00 56.93 55.34 2jey s PHE 200 Cb -0.19 -0.33 0.11 0.00 -1.21 0.00 0.00 43.02 41.39 2jey s PHE 200 CO 0.20 -0.15 1.11 0.20 -1.34 0.00 0.00 175.22 175.24 2jey s GLY 201 N -1.75 -0.35 0.18 1.99 0.00 -0.91 -0.12 107.32 106.35 2jey s GLY 201 Ca -0.09 0.87 0.09 0.00 0.00 0.00 0.00 44.72 45.59 2jey s GLY 201 CO -0.01 0.25 -0.20 1.85 0.00 0.00 0.00 173.10 174.98 2jey s GLU 202 N -2.75 1.36 3.87 2.90 -6.30 -1.18 -0.38 118.70 116.22 2jey s GLU 202 Ca 0.11 -1.46 0.00 0.00 -2.50 0.00 0.00 54.97 51.11 2jey s GLU 202 Cb 0.01 -1.49 0.00 0.00 0.00 0.00 0.00 34.13 32.64 2jey s GLU 202 CO -0.04 0.31 0.00 0.45 0.02 0.00 0.00 175.26 176.00 2jey n SER 203 N 0.23 0.00 -0.35 -1.70 2.88 -0.25 0.13 113.62 114.55 2jey n SER 203 Ca -0.12 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.46 2jey n SER 203 Cb 0.57 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.25 2jey n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jey h ALA 204 N -0.48 1.48 -0.93 -1.46 0.00 -1.86 0.29 119.26 116.29 2jey h ALA 204 Ca 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.10 2jey h ALA 204 Cb 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 2jey h ALA 204 CO 0.00 0.34 0.61 0.78 0.00 0.00 0.00 179.25 180.97 2jey h GLY 205 N 1.08 1.10 0.61 0.00 0.00 0.18 0.28 103.07 106.31 2jey h GLY 205 Ca 0.45 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 2jey h GLY 205 CO -0.20 -0.01 -0.12 0.00 0.00 0.00 0.00 176.54 176.20 2jey h ALA 206 N 1.61 0.11 -0.85 3.60 0.00 -0.02 -1.36 119.26 122.36 2jey h ALA 206 Ca 0.50 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2jey h ALA 206 Cb 1.10 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2jey h ALA 206 CO -0.23 -0.02 0.55 0.00 0.00 0.00 0.00 179.25 179.56 2jey h ALA 207 N 0.50 1.78 -0.02 0.00 0.00 0.04 0.91 119.26 122.49 2jey h ALA 207 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jey h ALA 207 Cb 0.69 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jey h ALA 207 CO 0.03 0.02 -0.03 0.77 0.00 0.00 0.00 179.25 180.04 2jey h SER 208 N 0.73 0.05 -0.60 0.00 0.02 -0.52 0.84 113.55 114.07 2jey h SER 208 Ca 0.41 -0.54 0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2jey h SER 208 Cb 0.56 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.99 2jey h SER 208 CO -0.17 0.58 0.06 0.58 -1.14 0.00 0.00 176.83 176.74 2jey h VAL 209 N -0.47 0.56 -0.66 2.27 2.07 0.09 0.22 116.25 120.34 2jey h VAL 209 Ca 0.00 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2jey h VAL 209 Cb 0.57 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2jey h VAL 209 CO 0.01 0.03 0.13 1.23 0.02 0.00 0.00 177.57 178.98 2jey h GLY 210 N 0.17 1.17 1.81 2.17 0.00 0.12 -1.58 103.07 106.92 2jey h GLY 210 Ca 0.31 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2jey h GLY 210 CO -0.46 0.71 0.10 -0.33 0.00 0.00 0.00 176.54 176.56 2jey h MET 211 N 1.00 0.26 -0.35 4.80 2.86 0.25 0.17 114.93 123.92 2jey h MET 211 Ca 0.20 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.67 2jey h MET 211 Cb 0.41 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2jey h MET 211 CO 0.01 0.20 -0.39 0.45 1.06 0.00 0.00 176.91 178.24 2jey h HIS 212 N 0.26 0.99 -0.55 -0.22 3.86 0.08 0.72 115.15 120.30 2jey h HIS 212 Ca 0.07 -0.29 0.08 0.00 -1.16 0.00 0.00 60.37 59.06 2jey h HIS 212 Cb 0.01 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.21 2jey h HIS 212 CO 0.00 1.08 0.21 0.82 0.86 0.00 0.00 177.93 180.90 2jey h ILE 213 N 0.68 0.82 0.00 2.45 2.04 -0.08 -1.11 117.51 122.31 2jey h ILE 213 Ca 0.06 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2jey h ILE 213 Cb 0.95 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2jey h ILE 213 CO 0.09 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.49 2jey n LEU 214 N -4.99 0.00 -4.32 1.44 4.77 0.39 -4.77 117.00 109.54 2jey n LEU 214 Ca 0.07 0.25 -0.34 0.00 -0.03 0.00 0.00 56.01 55.96 2jey n LEU 214 Cb 0.22 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 2jey n LEU 214 CO 0.24 -0.01 -0.42 -0.55 -1.33 0.00 0.00 177.39 175.32 2jey s SER 215 N -2.50 4.10 0.09 -1.43 0.15 0.21 -4.74 113.70 109.57 2jey s SER 215 Ca 0.30 -0.39 -0.24 0.00 0.70 0.00 0.00 55.95 56.32 2jey s SER 215 Cb 0.20 -1.67 -0.16 0.00 -1.71 0.00 0.00 66.02 62.68 2jey s SER 215 CO 0.44 0.05 1.72 0.25 1.20 0.00 0.00 173.24 176.90 2jey h LEU 216 N 7.58 -0.09 -1.91 3.45 5.85 -1.82 -0.71 115.31 127.66 2jey h LEU 216 Ca -0.37 -0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.59 2jey h LEU 216 Cb 1.18 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2jey h LEU 216 CO 0.59 -0.06 0.60 -0.65 -0.34 0.00 0.00 178.44 178.58 2jey h PRO 217 N -0.12 0.07 0.00 5.25 0.11 -1.93 -1.38 132.00 134.01 2jey h PRO 217 Ca -0.01 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 2jey h PRO 217 Cb 0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2jey h PRO 217 CO 0.02 0.05 -0.47 0.77 -0.21 0.00 0.00 178.00 178.16 2jey h SER 218 N 0.07 0.00 0.08 -2.05 0.02 -1.38 -3.34 113.55 106.95 2jey h SER 218 Ca 0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2jey h SER 218 Cb 1.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.06 2jey h SER 218 CO -0.04 0.47 -0.07 0.03 -1.14 0.00 0.00 176.83 176.08 2jey h ARG 219 N 0.00 0.00 -0.08 3.45 2.47 -1.02 -1.02 114.38 118.18 2jey h ARG 219 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jey h ARG 219 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2jey h ARG 219 CO 0.06 0.07 0.00 -1.13 0.56 0.00 0.00 179.97 179.53 2jey n SER 220 N -4.35 0.49 -0.48 7.04 3.41 -1.25 -3.64 113.62 114.84 2jey n SER 220 Ca -0.03 -1.81 0.06 0.00 -0.26 0.00 0.00 58.87 56.83 2jey n SER 220 Cb 0.15 -0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2jey n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jey n LEU 221 N -0.32 2.11 -3.74 1.04 4.77 -0.39 -5.01 117.00 115.47 2jey n LEU 221 Ca 0.07 -1.17 -0.04 0.00 -0.03 0.00 0.00 56.01 54.84 2jey n LEU 221 Cb 0.10 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2jey n LEU 221 CO 0.06 0.43 0.70 0.72 -1.33 0.00 0.00 177.39 177.96 2jey s PHE 222 N -0.95 -0.15 0.01 -1.77 -0.71 -1.24 -4.87 117.98 108.30 2jey s PHE 222 Ca 0.15 -0.16 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 2jey s PHE 222 Cb 0.10 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.55 2jey s PHE 222 CO 0.14 -0.84 0.00 0.72 -1.34 0.00 0.00 175.22 173.90 2jey n HIS 223 N -0.46 -0.02 -3.95 3.49 8.25 0.41 -4.90 115.22 118.04 2jey n HIS 223 Ca -0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 2jey n HIS 223 Cb 0.61 0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.77 2jey n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jey s ARG 224 N -2.00 2.41 -0.02 -0.41 0.52 -1.14 -4.13 118.95 114.19 2jey s ARG 224 Ca 0.00 -1.59 -0.06 0.00 -0.52 0.00 0.00 55.73 53.56 2jey s ARG 224 Cb 0.00 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.27 2jey s ARG 224 CO 0.00 -0.01 0.14 0.00 0.02 0.00 0.00 175.30 175.44 2jey s ALA 225 N -2.46 -0.33 -0.05 2.13 0.00 -0.75 -1.54 121.76 118.75 2jey s ALA 225 Ca 0.41 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.46 2jey s ALA 225 Cb -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2jey s ALA 225 CO 0.24 -0.15 -0.08 0.08 0.00 0.00 0.00 175.76 175.85 2jey s VAL 226 N -0.82 0.78 -0.31 0.00 1.01 0.40 -1.63 120.40 119.83 2jey s VAL 226 Ca -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2jey s VAL 226 Cb -0.05 -0.75 0.09 0.00 0.00 0.00 0.00 36.38 35.68 2jey s VAL 226 CO 0.01 0.27 0.05 -0.76 0.00 0.00 0.00 175.10 174.67 2jey s LEU 227 N 0.72 3.45 -0.28 3.92 1.02 0.39 -2.15 118.68 125.75 2jey s LEU 227 Ca -0.12 -1.81 -0.15 0.00 0.02 0.00 0.00 54.13 52.08 2jey s LEU 227 Cb -0.14 -1.26 -0.03 0.00 0.02 0.00 0.00 46.19 44.77 2jey s LEU 227 CO 0.02 -0.37 0.36 -1.10 0.02 0.00 0.00 176.35 175.27 2jey s GLN 228 N 1.25 3.95 -1.46 1.70 -0.21 0.48 -2.72 119.66 122.65 2jey s GLN 228 Ca 0.08 -0.05 -0.08 0.00 0.02 0.00 0.00 55.36 55.33 2jey s GLN 228 Cb -0.18 -3.68 0.04 0.00 1.00 0.00 0.00 33.01 30.19 2jey s GLN 228 CO -0.14 -0.31 0.76 0.43 -2.12 0.00 0.00 175.29 173.91 2jey n SER 229 N 5.33 -5.35 -3.62 5.90 7.64 0.95 -1.09 113.62 123.37 2jey n SER 229 Ca -0.09 -0.46 -0.02 0.00 1.01 0.00 0.00 58.87 59.31 2jey n SER 229 Cb 0.51 -4.31 -0.02 0.00 -1.01 0.00 0.00 64.21 59.38 2jey n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jey s GLY 230 N -2.94 -0.26 -0.04 0.23 0.00 -1.26 -3.04 107.32 100.02 2jey s GLY 230 Ca 0.45 1.70 -0.21 0.00 0.00 0.00 0.00 44.72 46.67 2jey s GLY 230 CO 0.56 0.55 0.46 -0.51 0.00 0.00 0.00 173.10 174.16 2jey s THR 231 N -2.14 0.03 0.24 0.90 -4.23 -1.26 -4.04 115.64 105.14 2jey s THR 231 Ca 0.12 -0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 2jey s THR 231 Cb 0.00 -0.76 0.11 0.00 1.34 0.00 0.00 72.50 73.19 2jey s THR 231 CO -0.03 -0.15 1.74 1.55 -0.54 0.00 0.00 174.62 177.19 2jey h PRO 232 N 3.63 0.91 -7.33 3.99 0.13 -1.80 -3.40 132.00 128.14 2jey h PRO 232 Ca -0.29 -0.24 -0.47 0.00 -0.87 0.00 0.00 66.00 64.13 2jey h PRO 232 Cb 1.16 -0.11 0.16 0.00 0.13 0.00 0.00 31.00 32.34 2jey h PRO 232 CO 0.38 0.87 0.22 0.54 -0.23 0.00 0.00 178.00 179.79 2jey s ASN 233 N -6.59 3.06 0.00 1.44 4.22 -1.26 -4.44 114.94 111.38 2jey s ASN 233 Ca -0.10 1.43 0.00 0.00 -2.14 0.00 0.00 52.86 52.05 2jey s ASN 233 Cb 0.15 -2.11 0.00 0.00 1.28 0.00 0.00 41.25 40.57 2jey s ASN 233 CO 0.82 -2.89 0.00 0.61 -2.04 0.00 0.00 177.10 173.60 2jey n GLY 234 N -0.95 0.65 0.20 0.45 0.00 -1.26 -4.67 105.19 99.61 2jey n GLY 234 Ca 0.06 -2.19 0.05 0.00 0.00 0.00 0.00 46.02 43.94 2jey n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jey h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.87 -3.36 132.00 128.51 2jey h PRO 235 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2jey h PRO 235 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jey h PRO 235 CO 0.00 0.31 -1.34 -2.67 -0.23 0.00 0.00 178.00 174.07 2jey n TRP 236 N -4.01 0.00 0.18 1.56 4.27 -1.26 -4.68 117.44 113.51 2jey n TRP 236 Ca -0.02 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.65 2jey n TRP 236 Cb 0.37 -0.19 0.28 0.00 -1.36 0.00 0.00 31.31 30.42 2jey n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jey h ALA 237 N 0.60 0.92 -2.24 -1.67 0.00 -1.82 -3.42 119.26 111.63 2jey h ALA 237 Ca -0.03 -0.34 -0.33 0.00 0.00 0.00 0.00 54.91 54.21 2jey h ALA 237 Cb 0.49 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 2jey h ALA 237 CO 0.00 0.47 -0.67 0.95 0.00 0.00 0.00 179.25 180.00 2jey s THR 238 N -3.45 0.92 0.16 0.00 -4.23 -1.26 -3.45 115.64 104.33 2jey s THR 238 Ca 0.01 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2jey s THR 238 Cb 0.10 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 2jey s THR 238 CO 0.69 -0.49 -0.11 0.68 -0.54 0.00 0.00 174.62 174.85 2jey s VAL 239 N -3.49 1.29 0.83 2.29 -7.23 -0.75 -4.98 120.40 108.36 2jey s VAL 239 Ca 0.24 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.20 2jey s VAL 239 Cb 0.05 -1.89 0.09 0.00 0.56 0.00 0.00 36.38 35.19 2jey s VAL 239 CO 0.05 -0.71 1.12 -0.94 -0.31 0.00 0.00 175.10 174.30 2jey s SER 240 N -3.20 4.21 0.16 4.85 1.04 -1.26 -0.63 113.70 118.87 2jey s SER 240 Ca 0.18 1.14 -0.16 0.00 0.48 0.00 0.00 55.95 57.59 2jey s SER 240 Cb 0.02 -1.81 0.09 0.00 0.10 0.00 0.00 66.02 64.41 2jey s SER 240 CO 0.02 -2.13 1.70 0.00 0.98 0.00 0.00 173.24 173.81 2jey h ALA 241 N -1.20 0.34 -0.85 5.32 0.00 -1.90 -2.20 119.26 118.77 2jey h ALA 241 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jey h ALA 241 Cb 1.29 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2jey h ALA 241 CO 0.61 -0.39 0.53 0.78 0.00 0.00 0.00 179.25 180.78 2jey h GLY 242 N 0.11 1.22 2.00 0.00 0.00 -1.92 -0.30 103.07 104.18 2jey h GLY 242 Ca 0.18 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2jey h GLY 242 CO -0.30 0.48 -0.37 -2.09 0.00 0.00 0.00 176.54 174.26 2jey h GLU 243 N 1.17 0.00 0.34 4.80 4.57 -1.87 -1.07 114.58 122.52 2jey h GLU 243 Ca 0.31 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 2jey h GLU 243 Cb -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2jey h GLU 243 CO -0.06 0.37 -0.16 0.00 -1.18 0.00 0.00 179.01 177.98 2jey h ALA 244 N 1.63 -0.46 -0.99 2.92 0.00 -0.66 -1.92 119.26 119.77 2jey h ALA 244 Ca -0.00 -0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.08 2jey h ALA 244 Cb 0.85 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.64 2jey h ALA 244 CO 0.05 -0.45 0.21 -0.09 0.00 0.00 0.00 179.25 178.97 2jey h ARG 245 N -1.07 0.02 0.03 0.00 2.43 -1.07 0.19 114.38 114.91 2jey h ARG 245 Ca -0.05 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2jey h ARG 245 Cb 0.43 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2jey h ARG 245 CO 0.08 0.02 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.45 2jey h ARG 246 N 0.02 -0.04 -0.23 0.20 2.43 -1.11 0.56 114.38 116.21 2jey h ARG 246 Ca 0.68 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.71 2jey h ARG 246 Cb 1.56 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2jey h ARG 246 CO -0.85 0.25 -0.45 0.00 -1.51 0.00 0.00 179.97 177.41 2jey h ARG 247 N -0.33 0.59 0.32 0.20 3.08 -0.30 0.22 114.38 118.16 2jey h ARG 247 Ca -0.00 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2jey h ARG 247 Cb 0.31 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2jey h ARG 247 CO 0.01 0.92 -0.16 0.00 -1.07 0.00 0.00 179.97 179.66 2jey h ALA 248 N 1.03 -1.09 -1.03 0.04 0.00 -0.60 0.53 119.26 118.14 2jey h ALA 248 Ca 0.03 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.17 2jey h ALA 248 Cb 0.97 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2jey h ALA 248 CO 0.09 -1.06 0.60 1.79 0.00 0.00 0.00 179.25 180.66 2jey h THR 249 N -0.44 0.31 -0.10 0.00 1.35 -0.87 0.49 112.91 113.65 2jey h THR 249 Ca -0.04 -0.11 -0.05 0.00 -0.55 0.00 0.00 66.41 65.66 2jey h THR 249 Cb 0.34 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.72 2jey h THR 249 CO 0.06 0.06 -0.12 0.25 -0.25 0.00 0.00 175.52 175.52 2jey h LEU 250 N 0.33 0.28 -0.21 3.87 5.85 -0.32 0.32 115.31 125.43 2jey h LEU 250 Ca 0.73 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2jey h LEU 250 Cb 1.71 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 2jey h LEU 250 CO -0.56 0.73 0.01 0.25 -0.34 0.00 0.00 178.44 178.52 2jey h LEU 251 N -0.15 -0.06 -0.79 2.25 5.85 0.17 0.50 115.31 123.08 2jey h LEU 251 Ca 0.01 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.93 2jey h LEU 251 Cb 0.65 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 2jey h LEU 251 CO 0.03 -0.00 0.34 0.00 -0.34 0.00 0.00 178.44 178.47 2jey h ALA 252 N 1.18 1.14 -0.17 1.25 0.00 -0.05 -0.12 119.26 122.48 2jey h ALA 252 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jey h ALA 252 Cb 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jey h ALA 252 CO -0.16 -0.20 0.11 -0.09 0.00 0.00 0.00 179.25 178.92 2jey h ARG 253 N 0.48 0.23 0.00 0.00 2.43 0.37 0.30 114.38 118.18 2jey h ARG 253 Ca 0.44 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 2jey h ARG 253 Cb 0.67 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2jey h ARG 253 CO -0.41 0.16 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.10 2jey h LEU 254 N 0.23 0.00 -3.11 3.80 3.38 0.80 -0.47 115.31 119.94 2jey h LEU 254 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jey h LEU 254 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jey h LEU 254 CO -0.01 0.04 0.00 1.33 0.09 0.00 0.00 178.44 179.89 2jey n VAL 255 N -3.42 1.75 -1.74 1.22 0.24 -0.47 -4.97 118.33 110.94 2jey n VAL 255 Ca -0.02 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 2jey n VAL 255 Cb 0.16 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 2jey n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jey n GLY 256 N 0.88 0.79 1.15 7.63 0.00 -0.19 -5.06 105.19 110.39 2jey n GLY 256 Ca 0.23 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2jey n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey n ASN 265 N -1.27 -0.09 0.02 0.00 0.23 -1.26 -4.84 115.26 108.05 2jey n ASN 265 Ca -0.06 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.88 2jey n ASN 265 Cb 0.20 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 37.85 2jey n ASN 265 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jey h ASP 266 N -0.02 -1.03 -0.59 0.53 3.32 -1.99 -2.45 116.42 114.20 2jey h ASP 266 Ca -0.01 0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.30 2jey h ASP 266 Cb 0.02 0.43 -0.12 0.00 0.22 0.00 0.00 39.33 39.88 2jey h ASP 266 CO 0.00 -0.38 -0.28 0.74 -1.72 0.00 0.00 179.24 177.60 2jey h THR 267 N -0.44 0.22 0.00 0.35 2.02 -2.00 0.61 112.91 113.67 2jey h THR 267 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2jey h THR 267 Cb 0.56 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2jey h THR 267 CO -0.33 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.23 2jey h GLU 268 N -0.13 0.00 0.01 6.66 5.08 -1.89 -0.74 114.58 123.57 2jey h GLU 268 Ca 0.25 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.20 2jey h GLU 268 Cb 0.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 2jey h GLU 268 CO -0.67 0.00 -2.34 -0.11 -1.00 0.00 0.00 179.01 174.89 2jey n LEU 269 N -2.72 2.26 -0.02 1.33 0.00 0.91 -3.85 117.00 114.91 2jey n LEU 269 Ca -0.01 0.21 -0.10 0.00 0.00 0.00 0.00 56.01 56.11 2jey n LEU 269 Cb 0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 43.42 42.62 2jey n LEU 269 CO 0.18 0.66 0.91 0.40 0.00 0.00 0.00 177.39 179.54 2jey h ILE 270 N -0.66 0.99 -0.74 1.96 2.04 0.21 -0.26 117.51 121.05 2jey h ILE 270 Ca -0.61 -0.05 0.16 0.00 1.00 0.00 0.00 64.86 65.36 2jey h ILE 270 Cb 1.68 0.82 -0.13 0.00 -0.74 0.00 0.00 36.82 38.45 2jey h ILE 270 CO -0.28 0.03 -0.05 0.00 0.00 0.00 0.00 178.15 177.85 2jey h ALA 271 N 1.08 0.68 -0.39 1.87 0.00 -1.35 0.91 119.26 122.06 2jey h ALA 271 Ca 0.06 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2jey h ALA 271 Cb 0.02 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jey h ALA 271 CO -0.05 -0.42 0.12 0.00 0.00 0.00 0.00 179.25 178.90 2jey h LEU 273 N 0.49 0.72 -1.62 0.00 3.38 0.68 -1.23 115.31 117.72 2jey h LEU 273 Ca 0.13 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.36 2jey h LEU 273 Cb 0.26 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2jey h LEU 273 CO -0.00 0.47 0.67 0.03 0.09 0.00 0.00 178.44 179.70 2jey h ARG 274 N 0.86 0.26 0.00 1.13 3.08 0.13 0.45 114.38 120.29 2jey h ARG 274 Ca 0.32 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2jey h ARG 274 Cb 0.12 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2jey h ARG 274 CO -0.15 0.17 0.00 0.25 -1.07 0.00 0.00 179.97 179.17 2jey n THR 275 N -4.46 0.53 -3.40 2.04 -2.24 -0.47 -4.83 114.28 101.45 2jey n THR 275 Ca 0.22 0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.76 2jey n THR 275 Cb 0.88 -0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 2jey n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jey s ARG 276 N -2.93 4.22 0.10 -0.78 1.81 0.15 -5.01 118.95 116.50 2jey s ARG 276 Ca 0.12 0.22 -0.31 0.00 -1.72 0.00 0.00 55.73 54.04 2jey s ARG 276 Cb 0.14 -3.50 -0.17 0.00 -0.45 0.00 0.00 34.95 30.97 2jey s ARG 276 CO 0.37 0.05 0.71 -2.30 -0.68 0.00 0.00 175.30 173.45 2jey n PRO 277 N 4.16 0.00 -0.36 3.54 -0.01 -1.26 -4.78 135.00 136.28 2jey n PRO 277 Ca -0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 63.50 63.32 2jey n PRO 277 Cb 0.51 -1.13 -0.07 0.00 -0.01 0.00 0.00 33.50 32.80 2jey n PRO 277 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jey n ALA 278 N 0.64 -0.50 0.18 3.55 0.00 -1.26 -1.25 120.51 121.87 2jey n ALA 278 Ca 0.17 0.76 0.13 0.00 0.00 0.00 0.00 53.44 54.50 2jey n ALA 278 Cb 0.16 -0.16 0.69 0.00 0.00 0.00 0.00 19.45 20.14 2jey n ALA 278 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2jey h GLN 279 N 0.00 0.00 -0.01 0.00 5.75 -1.98 0.10 115.11 118.98 2jey h GLN 279 Ca 0.16 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2jey h GLN 279 Cb 0.38 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 2jey h GLN 279 CO -0.83 0.00 0.00 -0.44 -2.65 0.00 0.00 178.83 174.92 2jey h ASP 280 N 0.00 0.01 -0.21 -0.69 3.32 -1.50 0.99 116.42 118.34 2jey h ASP 280 Ca 0.08 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.14 2jey h ASP 280 Cb 0.34 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2jey h ASP 280 CO -0.00 0.05 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.37 2jey h LEU 281 N -0.04 -0.42 -0.99 1.55 4.07 -0.78 -2.45 115.31 116.26 2jey h LEU 281 Ca 0.00 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 2jey h LEU 281 Cb 0.04 0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 2jey h LEU 281 CO -0.00 -0.17 0.57 0.58 -1.08 0.00 0.00 178.44 178.34 2jey h VAL 282 N -0.12 1.25 -0.92 1.22 2.07 -0.96 0.37 116.25 119.17 2jey h VAL 282 Ca 0.12 -0.54 0.22 0.00 0.82 0.00 0.00 66.70 67.32 2jey h VAL 282 Cb 0.30 -0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 29.87 2jey h VAL 282 CO -0.29 0.26 0.46 0.44 0.02 0.00 0.00 177.57 178.47 2jey h ASP 283 N 1.29 0.45 -0.02 0.57 3.32 0.15 -2.60 116.42 119.59 2jey h ASP 283 Ca 0.34 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2jey h ASP 283 Cb -0.07 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2jey h ASP 283 CO -0.06 0.05 -0.10 1.41 -1.72 0.00 0.00 179.24 178.81 2jey n HIS 284 N -4.98 0.00 -0.28 4.55 8.25 -0.72 -4.50 115.22 117.54 2jey n HIS 284 Ca 0.23 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.78 2jey n HIS 284 Cb 0.66 0.00 0.24 0.00 1.12 0.00 0.00 29.99 32.01 2jey n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2jey h GLU 285 N 2.37 0.31 0.14 -0.41 4.81 -0.54 -1.07 114.58 120.20 2jey h GLU 285 Ca 0.00 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 2jey h GLU 285 Cb 0.56 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 29.88 2jey h GLU 285 CO 0.00 0.21 -1.26 2.35 -0.73 0.00 0.00 179.01 179.58 2jey h TRP 286 N 0.32 0.70 0.00 0.92 7.01 -1.79 -3.25 115.95 119.86 2jey h TRP 286 Ca 0.49 -0.48 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2jey h TRP 286 Cb 0.89 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.91 2jey h TRP 286 CO -0.21 1.36 0.60 1.12 -2.79 0.00 0.00 178.44 178.52 2jey h HIS 287 N 0.14 0.00 -0.03 2.65 2.07 -1.45 -2.82 115.15 115.71 2jey h HIS 287 Ca -0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.36 2jey h HIS 287 Cb 1.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.94 2jey h HIS 287 CO 0.09 0.00 0.00 1.33 -3.07 0.00 0.00 177.93 176.28 2jey n VAL 288 N -2.67 0.03 -2.51 6.12 0.24 -1.23 -4.83 118.33 113.48 2jey n VAL 288 Ca -0.01 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 2jey n VAL 288 Cb 0.63 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 2jey n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jey s LEU 289 N -1.87 4.34 0.48 1.34 1.43 -1.07 -4.80 118.68 118.53 2jey s LEU 289 Ca 0.39 1.86 0.15 0.00 -1.03 0.00 0.00 54.13 55.51 2jey s LEU 289 Cb 0.20 -3.57 1.14 0.00 0.03 0.00 0.00 46.19 43.98 2jey s LEU 289 CO 0.32 -0.44 2.07 1.55 0.23 0.00 0.00 176.35 180.07 2jey h PRO 290 N 6.96 0.21 -5.22 1.29 0.13 -1.94 -3.44 132.00 130.00 2jey h PRO 290 Ca -0.39 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.33 2jey h PRO 290 Cb 1.20 -0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 2jey h PRO 290 CO 0.81 0.14 -0.68 -0.65 -0.23 0.00 0.00 178.00 177.39 2jey s GLN 291 N -5.23 1.31 -0.85 0.86 1.11 -1.26 -5.05 119.66 110.55 2jey s GLN 291 Ca -0.06 -1.63 -0.25 0.00 0.01 0.00 0.00 55.36 53.43 2jey s GLN 291 Cb 0.18 -0.78 -0.00 0.00 -1.01 0.00 0.00 33.01 31.40 2jey s GLN 291 CO 0.71 0.01 1.69 -2.00 0.01 0.00 0.00 175.29 175.70 2jey s GLU 292 N -3.78 2.95 0.37 2.91 2.12 -1.26 -4.91 118.70 117.10 2jey s GLU 292 Ca 0.25 -0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.34 2jey s GLU 292 Cb 0.04 -4.86 -0.00 0.00 0.26 0.00 0.00 34.13 29.57 2jey s GLU 292 CO 0.07 -2.73 0.49 -1.12 -0.54 0.00 0.00 175.26 171.43 2jey s SER 293 N 6.54 5.75 0.08 -1.70 0.01 -1.26 -4.37 113.70 118.75 2jey s SER 293 Ca 0.57 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.53 2jey s SER 293 Cb -0.06 -0.95 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 2jey s SER 293 CO 0.04 -0.57 -0.08 0.27 0.41 0.00 0.00 173.24 173.31 2jey s ILE 294 N -2.27 0.70 -1.49 1.44 -4.36 0.32 -4.85 121.20 110.68 2jey s ILE 294 Ca 0.49 -1.54 -0.05 0.00 -0.26 0.00 0.00 60.65 59.28 2jey s ILE 294 Cb -0.09 -1.20 0.02 0.00 1.25 0.00 0.00 42.46 42.44 2jey s ILE 294 CO 0.31 -0.61 0.53 0.33 0.24 0.00 0.00 174.94 175.75 2jey n PHE 295 N 0.67 -1.87 -4.24 1.37 -0.00 -1.26 -4.74 117.46 107.38 2jey n PHE 295 Ca -0.17 0.47 -0.18 0.00 -0.00 0.00 0.00 57.45 57.57 2jey n PHE 295 Cb 0.58 -4.07 -0.15 0.00 -0.00 0.00 0.00 39.48 35.84 2jey n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2jey s ARG 296 N -5.72 0.62 0.05 -4.13 6.06 -1.26 -4.64 118.95 109.92 2jey s ARG 296 Ca 0.30 -0.22 0.05 0.00 -2.50 0.00 0.00 55.73 53.35 2jey s ARG 296 Cb -0.14 -0.61 -0.02 0.00 0.06 0.00 0.00 34.95 34.24 2jey s ARG 296 CO 0.37 0.11 -0.14 -0.06 -2.50 0.00 0.00 175.30 173.09 2jey s PHE 297 N 0.04 1.18 0.07 5.12 0.08 -1.26 -4.99 117.98 118.22 2jey s PHE 297 Ca -0.00 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 56.49 2jey s PHE 297 Cb -0.05 -0.69 -0.11 0.00 -0.57 0.00 0.00 43.02 41.60 2jey s PHE 297 CO -0.00 0.03 1.40 0.77 -0.10 0.00 0.00 175.22 177.32 2jey h SER 298 N 4.78 0.53 -3.63 1.36 0.02 -1.87 -3.41 113.55 111.34 2jey h SER 298 Ca -0.38 -0.45 -0.64 0.00 -0.84 0.00 0.00 61.79 59.48 2jey h SER 298 Cb 1.18 -0.15 -0.39 0.00 0.14 0.00 0.00 62.40 63.18 2jey h SER 298 CO 0.43 0.87 -0.75 -0.36 -1.14 0.00 0.00 176.83 175.88 2jey s PHE 299 N -4.43 3.07 0.24 3.45 0.08 -1.26 -5.00 117.98 114.13 2jey s PHE 299 Ca -0.13 -2.42 0.01 0.00 0.12 0.00 0.00 56.93 54.50 2jey s PHE 299 Cb 0.07 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 40.20 2jey s PHE 299 CO 0.78 -0.89 0.10 0.14 -0.10 0.00 0.00 175.22 175.25 2jey s VAL 300 N 1.15 0.44 0.53 -0.44 -7.23 -1.26 -4.32 120.40 109.27 2jey s VAL 300 Ca 0.04 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.01 2jey s VAL 300 Cb -0.19 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 2jey s VAL 300 CO -0.10 -0.01 0.70 -2.65 -0.31 0.00 0.00 175.10 172.73 2jey n PRO 301 N -0.41 0.74 -5.21 4.82 -0.02 -1.22 -4.64 135.00 129.04 2jey n PRO 301 Ca 0.00 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 2jey n PRO 301 Cb 0.66 -1.82 -0.16 0.00 -0.02 0.00 0.00 33.50 32.16 2jey n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jey s VAL 302 N -1.56 2.17 -0.54 -1.45 0.11 -1.26 -1.81 120.40 116.05 2jey s VAL 302 Ca 0.68 -1.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.45 2jey s VAL 302 Cb -0.48 -1.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 2jey s VAL 302 CO 0.54 0.57 2.21 -0.69 -3.33 0.00 0.00 175.10 174.40 2jey s VAL 303 N -0.13 3.13 -1.88 2.04 1.01 0.20 -4.59 120.40 120.18 2jey s VAL 303 Ca -0.04 0.07 0.16 0.00 0.00 0.00 0.00 61.98 62.16 2jey s VAL 303 Cb -0.14 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.07 2jey s VAL 303 CO 0.04 -0.34 1.06 -0.90 0.00 0.00 0.00 175.10 174.96 2jey n ASP 304 N 14.84 2.48 0.00 3.32 5.75 -1.20 -2.93 116.55 138.80 2jey n ASP 304 Ca 0.31 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 2jey n ASP 304 Cb 0.54 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2jey n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jey n GLY 305 N 0.90 0.26 0.00 6.12 0.00 -0.37 -4.81 105.19 107.29 2jey n GLY 305 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jey n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jey n ASP 306 N -0.08 0.00 -0.04 1.61 -0.08 -1.26 -4.32 116.55 112.38 2jey n ASP 306 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2jey n ASP 306 Cb 0.04 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.47 2jey n ASP 306 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jey h PHE 307 N 0.00 -0.06 -3.59 -0.67 3.04 -1.90 -3.32 116.94 110.45 2jey h PHE 307 Ca 0.00 0.02 -0.70 0.00 3.98 0.00 0.00 57.97 61.26 2jey h PHE 307 Cb 0.00 0.06 -0.28 0.00 2.56 0.00 0.00 35.95 38.29 2jey h PHE 307 CO 0.00 -0.06 -0.55 -0.51 -2.02 0.00 0.00 178.31 175.17 2jey s LEU 308 N -10.38 4.67 0.09 0.59 1.43 -1.26 -4.48 118.68 109.34 2jey s LEU 308 Ca -0.13 -1.28 0.18 0.00 -1.03 0.00 0.00 54.13 51.87 2jey s LEU 308 Cb 0.10 -1.92 0.75 0.00 0.03 0.00 0.00 46.19 45.15 2jey s LEU 308 CO 0.69 -0.41 1.56 -1.54 0.23 0.00 0.00 176.35 176.87 2jey n SER 309 N 4.86 0.24 -2.86 2.29 3.41 -1.25 -1.23 113.62 119.07 2jey n SER 309 Ca -0.11 0.56 -0.02 0.00 -0.26 0.00 0.00 58.87 59.03 2jey n SER 309 Cb 0.44 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 2jey n SER 309 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jey n ASP 310 N -1.76 -1.40 -4.77 4.04 -0.08 -1.26 -4.50 116.55 106.82 2jey n ASP 310 Ca 0.03 -1.73 -0.38 0.00 -1.51 0.00 0.00 54.79 51.19 2jey n ASP 310 Cb 0.19 2.28 -0.00 0.00 2.34 0.00 0.00 41.12 45.93 2jey n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jey s THR 311 N -2.16 2.76 0.39 5.18 -4.23 -1.26 -4.71 115.64 111.61 2jey s THR 311 Ca 0.19 0.63 0.18 0.00 -1.18 0.00 0.00 61.69 61.51 2jey s THR 311 Cb -0.02 -3.35 0.39 0.00 1.34 0.00 0.00 72.50 70.85 2jey s THR 311 CO 0.04 0.05 1.74 -0.65 -0.54 0.00 0.00 174.62 175.27 2jey h PRO 312 N 2.36 0.37 -0.28 3.99 0.11 -1.97 0.60 132.00 137.18 2jey h PRO 312 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2jey h PRO 312 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2jey h PRO 312 CO 0.61 0.25 0.09 0.93 -0.21 0.00 0.00 178.00 179.67 2jey h GLU 313 N 0.38 0.43 -0.39 1.05 3.07 -1.89 1.19 114.58 118.42 2jey h GLU 313 Ca 0.63 -0.09 0.05 0.00 -0.50 0.00 0.00 59.36 59.46 2jey h GLU 313 Cb 1.59 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 29.39 2jey h GLU 313 CO -0.35 0.48 0.10 0.00 -1.40 0.00 0.00 179.01 177.84 2jey h ALA 314 N 0.93 0.44 -0.12 3.43 0.00 -0.77 0.43 119.26 123.60 2jey h ALA 314 Ca 0.09 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2jey h ALA 314 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jey h ALA 314 CO -0.00 -0.30 -0.48 -0.07 0.00 0.00 0.00 179.25 178.41 2jey h LEU 315 N 0.24 0.31 0.00 0.00 3.38 0.10 -1.60 115.31 117.75 2jey h LEU 315 Ca 0.18 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2jey h LEU 315 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jey h LEU 315 CO -0.22 0.75 -0.74 0.16 0.09 0.00 0.00 178.44 178.47 2jey h ILE 316 N 0.24 0.64 -0.40 1.22 3.07 0.18 -1.03 117.51 121.43 2jey h ILE 316 Ca 0.01 -1.99 -0.15 0.00 1.55 0.00 0.00 64.86 64.29 2jey h ILE 316 Cb 0.93 2.22 -0.01 0.00 -0.27 0.00 0.00 36.82 39.69 2jey h ILE 316 CO 0.08 0.37 -0.33 0.78 -1.05 0.00 0.00 178.15 177.99 2jey h ASN 317 N 0.00 0.96 0.00 2.16 2.35 0.12 -3.38 115.58 117.80 2jey h ASN 317 Ca -0.05 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2jey h ASN 317 Cb 1.38 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2jey h ASN 317 CO 0.05 1.20 -0.73 0.35 -1.65 0.00 0.00 177.43 176.65 2jey n THR 318 N -4.07 0.00 -1.29 2.81 -2.24 -0.63 -5.00 114.28 103.86 2jey n THR 318 Ca -0.01 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 2jey n THR 318 Cb 0.51 0.88 0.13 0.00 -2.10 0.00 0.00 70.33 69.76 2jey n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jey s GLY 319 N -2.37 1.61 -0.18 3.38 0.00 -0.39 -5.05 107.32 104.33 2jey s GLY 319 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 44.72 44.61 2jey s GLY 319 CO 0.51 0.35 -0.15 -0.35 0.00 0.00 0.00 173.10 173.47 2jey s ASP 320 N -3.56 3.61 -0.10 1.64 2.15 -1.26 -4.85 116.67 114.30 2jey s ASP 320 Ca 0.63 -0.51 0.13 0.00 0.43 0.00 0.00 52.55 53.23 2jey s ASP 320 Cb -0.17 -1.57 0.24 0.00 -0.30 0.00 0.00 42.92 41.12 2jey s ASP 320 CO 0.56 0.04 1.12 0.49 -0.17 0.00 0.00 175.17 177.21 2jey n PHE 321 N 4.39 0.00 0.22 -5.34 3.72 -0.46 -4.84 117.46 115.15 2jey n PHE 321 Ca -0.19 -0.78 0.09 0.00 -0.05 0.00 0.00 57.45 56.52 2jey n PHE 321 Cb 0.51 -0.14 0.44 0.00 -0.94 0.00 0.00 39.48 39.35 2jey n PHE 321 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2jey h GLN 322 N 0.22 0.00 -1.86 -1.08 3.07 -1.60 -2.60 115.11 111.26 2jey h GLN 322 Ca -0.02 0.00 -0.76 0.00 0.09 0.00 0.00 58.65 57.97 2jey h GLN 322 Cb 1.17 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 28.45 2jey h GLN 322 CO 0.01 0.24 1.04 -0.25 0.09 0.00 0.00 178.83 179.96 2jey n ASP 323 N -3.40 7.56 -3.80 0.06 8.00 -1.26 -4.68 116.55 119.03 2jey n ASP 323 Ca 0.00 -3.83 -0.16 0.00 0.71 0.00 0.00 54.79 51.51 2jey n ASP 323 Cb 0.44 -1.06 -0.16 0.00 -0.02 0.00 0.00 41.12 40.32 2jey n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jey s LEU 324 N -4.04 1.10 -0.11 0.64 2.96 -1.03 -4.98 118.68 113.22 2jey s LEU 324 Ca 0.54 0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2jey s LEU 324 Cb 0.45 -0.16 -0.02 0.00 0.50 0.00 0.00 46.19 46.96 2jey s LEU 324 CO -0.36 -0.12 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.37 2jey s GLN 325 N 1.07 3.23 0.01 1.98 1.11 -1.26 -0.53 119.66 125.27 2jey s GLN 325 Ca -0.09 -0.60 0.03 0.00 0.01 0.00 0.00 55.36 54.71 2jey s GLN 325 Cb -0.13 -2.69 -0.01 0.00 -1.01 0.00 0.00 33.01 29.17 2jey s GLN 325 CO -0.02 0.38 -0.08 0.14 0.01 0.00 0.00 175.29 175.71 2jey s VAL 326 N -0.05 0.63 -0.23 1.09 -7.23 0.70 -1.81 120.40 113.49 2jey s VAL 326 Ca -0.01 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2jey s VAL 326 Cb -0.14 -0.56 0.04 0.00 0.56 0.00 0.00 36.38 36.28 2jey s VAL 326 CO 0.03 0.06 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.54 2jey s LEU 327 N -0.51 3.01 0.11 1.32 2.96 -0.65 -0.50 118.68 124.43 2jey s LEU 327 Ca 0.01 -1.01 0.06 0.00 -0.22 0.00 0.00 54.13 52.96 2jey s LEU 327 Cb -0.05 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2jey s LEU 327 CO 0.00 -0.12 -0.15 0.68 -1.32 0.00 0.00 176.35 175.44 2jey s VAL 328 N 1.23 1.37 -0.00 1.68 -7.23 0.26 -0.46 120.40 117.24 2jey s VAL 328 Ca -0.02 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.23 2jey s VAL 328 Cb -0.17 -1.47 0.10 0.00 0.56 0.00 0.00 36.38 35.40 2jey s VAL 328 CO -0.07 -0.33 1.27 -0.83 -0.31 0.00 0.00 175.10 174.83 2jey s GLY 329 N -2.27 -0.18 0.21 2.32 0.00 -1.10 -0.46 107.32 105.84 2jey s GLY 329 Ca 0.07 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.90 2jey s GLY 329 CO 0.03 4.20 0.23 -1.34 0.00 0.00 0.00 173.10 176.23 2jey s VAL 330 N -2.11 0.00 0.44 1.40 -7.23 -0.97 -0.04 120.40 111.89 2jey s VAL 330 Ca 0.26 -1.82 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 2jey s VAL 330 Cb 0.01 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.54 2jey s VAL 330 CO -0.01 -0.01 0.44 0.68 -0.31 0.00 0.00 175.10 175.89 2jey s VAL 331 N -4.12 2.62 0.42 1.32 -7.23 -1.26 0.03 120.40 112.19 2jey s VAL 331 Ca 0.34 -1.27 0.20 0.00 -1.81 0.00 0.00 61.98 59.44 2jey s VAL 331 Cb 0.05 -2.89 0.22 0.00 0.56 0.00 0.00 36.38 34.32 2jey s VAL 331 CO 0.11 0.00 2.01 0.50 -0.31 0.00 0.00 175.10 177.41 2jey h LYS 332 N 0.89 0.00 -1.30 4.82 3.64 -1.27 -3.25 116.57 120.09 2jey h LYS 332 Ca -0.40 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.52 2jey h LYS 332 Cb 1.27 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.69 2jey h LYS 332 CO 0.54 0.17 -1.02 -0.25 -2.27 0.00 0.00 179.45 176.63 2jey n ASP 333 N -3.97 2.63 -0.31 4.20 9.92 -0.45 -4.88 116.55 123.69 2jey n ASP 333 Ca -0.02 -3.11 0.28 0.00 -0.53 0.00 0.00 54.79 51.41 2jey n ASP 333 Cb 0.26 -0.51 0.52 0.00 -0.64 0.00 0.00 41.12 40.74 2jey n ASP 333 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jey n GLU 334 N -0.18 -0.06 0.04 -1.24 -0.58 -1.23 -1.75 120.64 115.64 2jey n GLU 334 Ca 0.21 1.32 0.02 0.00 -0.42 0.00 0.00 57.16 58.30 2jey n GLU 334 Cb 0.74 -2.34 -0.07 0.00 -0.57 0.00 0.00 31.44 29.20 2jey n GLU 334 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jey n GLY 335 N -1.28 -1.24 0.28 0.62 0.00 -1.23 -3.86 105.19 98.47 2jey n GLY 335 Ca 0.34 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2jey n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jey h SER 336 N 0.00 -0.73 -0.95 1.61 4.64 -1.50 -1.74 113.55 114.88 2jey h SER 336 Ca -0.13 0.10 0.29 0.00 -0.47 0.00 0.00 61.79 61.58 2jey h SER 336 Cb 1.48 0.31 -0.16 0.00 -0.31 0.00 0.00 62.40 63.72 2jey h SER 336 CO 0.04 -0.31 0.25 0.22 -0.87 0.00 0.00 176.83 176.16 2jey h TYR 337 N -0.37 0.35 0.00 4.77 -0.00 -1.76 0.22 116.97 120.18 2jey h TYR 337 Ca 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 58.73 58.85 2jey h TYR 337 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.19 2jey h TYR 337 CO -0.30 -0.33 0.00 1.19 -0.00 0.00 0.00 178.16 178.72 2jey n PHE 338 N -5.31 0.63 0.12 -3.82 3.01 -0.66 -3.50 117.46 107.94 2jey n PHE 338 Ca 0.26 0.21 -0.00 0.00 1.01 0.00 0.00 57.45 58.92 2jey n PHE 338 Cb 0.84 -0.84 0.27 0.00 -0.01 0.00 0.00 39.48 39.75 2jey n PHE 338 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2jey h LEU 339 N 0.00 0.17 -0.28 4.37 3.38 -0.59 -2.94 115.31 119.42 2jey h LEU 339 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jey h LEU 339 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jey h LEU 339 CO 0.00 0.54 0.00 1.33 0.09 0.00 0.00 178.44 180.40 2jey n VAL 340 N -4.06 0.78 -1.71 1.22 0.24 -1.23 -2.27 118.33 111.30 2jey n VAL 340 Ca -0.01 0.16 -0.34 0.00 -2.04 0.00 0.00 64.34 62.10 2jey n VAL 340 Cb 0.44 -0.97 0.05 0.00 -1.47 0.00 0.00 33.84 31.90 2jey n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jey n TYR 341 N -1.88 3.11 0.00 6.34 4.02 -1.11 -4.66 117.16 122.97 2jey n TYR 341 Ca 0.04 -2.71 0.00 0.00 -0.01 0.00 0.00 57.90 55.21 2jey n TYR 341 Cb 0.24 -1.09 0.00 0.00 -0.02 0.00 0.00 39.34 38.47 2jey n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jey n GLY 342 N -0.74 -0.32 3.40 2.72 0.00 -1.25 -4.87 105.19 104.13 2jey n GLY 342 Ca 0.55 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 2jey n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jey s VAL 343 N -0.21 5.14 0.36 1.61 1.01 -0.96 -5.03 120.40 122.31 2jey s VAL 343 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 2jey s VAL 343 Cb 0.00 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 2jey s VAL 343 CO 0.00 -0.67 1.29 -2.65 0.00 0.00 0.00 175.10 173.07 2jey n PRO 344 N 5.46 2.10 -0.09 2.72 -0.02 -1.26 -1.97 135.00 141.93 2jey n PRO 344 Ca -0.11 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2jey n PRO 344 Cb 0.44 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2jey n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jey n GLY 345 N 0.77 0.80 3.43 -1.23 0.00 -1.26 -4.93 105.19 102.77 2jey n GLY 345 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2jey n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jey s PHE 346 N -2.38 2.94 -0.07 1.61 0.40 -0.83 -4.42 117.98 115.22 2jey s PHE 346 Ca 0.00 -0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 55.66 2jey s PHE 346 Cb 0.00 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.64 2jey s PHE 346 CO 0.00 -0.16 0.42 0.45 0.70 0.00 0.00 175.22 176.64 2jey s SER 347 N 0.48 -0.37 0.00 1.36 0.15 -1.26 -4.47 113.70 109.58 2jey s SER 347 Ca -0.06 0.49 0.12 0.00 0.70 0.00 0.00 55.95 57.20 2jey s SER 347 Cb -0.15 0.56 0.52 0.00 -1.71 0.00 0.00 66.02 65.24 2jey s SER 347 CO 0.03 -0.37 1.38 2.29 1.20 0.00 0.00 173.24 177.77 2jey n LYS 348 N 1.76 0.01 -0.27 5.44 -0.00 -1.26 -3.27 118.16 120.56 2jey n LYS 348 Ca -0.18 0.29 0.11 0.00 -0.00 0.00 0.00 58.31 58.52 2jey n LYS 348 Cb 0.56 -1.50 0.25 0.00 -0.00 0.00 0.00 35.03 34.35 2jey n LYS 348 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jey n ASP 349 N -1.49 3.59 -2.57 -5.58 8.00 -1.26 -4.41 116.55 112.83 2jey n ASP 349 Ca 0.03 -1.98 -0.12 0.00 0.71 0.00 0.00 54.79 53.43 2jey n ASP 349 Cb 0.14 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 2jey n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jey n ASN 350 N 1.42 -0.88 0.00 -2.24 0.23 -1.20 -5.02 115.26 107.56 2jey n ASN 350 Ca 0.20 -2.50 0.07 0.00 -0.53 0.00 0.00 54.58 51.82 2jey n ASN 350 Cb 0.58 1.73 0.44 0.00 -2.08 0.00 0.00 39.78 40.46 2jey n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jey n GLU 351 N -0.45 0.84 -3.27 -3.83 1.02 -1.26 -4.72 120.64 108.97 2jey n GLU 351 Ca 0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 2jey n GLU 351 Cb 0.45 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 2jey n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jey n SER 352 N -0.78 -4.26 -4.61 1.62 7.64 -1.26 -4.85 113.62 107.12 2jey n SER 352 Ca 0.11 -0.36 -0.43 0.00 1.01 0.00 0.00 58.87 59.21 2jey n SER 352 Cb 0.05 -3.50 -0.02 0.00 -1.01 0.00 0.00 64.21 59.73 2jey n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jey s LEU 353 N -6.52 3.63 0.25 -3.43 1.43 -1.26 -4.69 118.68 108.09 2jey s LEU 353 Ca 0.37 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 2jey s LEU 353 Cb -0.19 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2jey s LEU 353 CO 0.46 -1.42 0.28 0.27 0.23 0.00 0.00 176.35 176.16 2jey s ILE 354 N 5.50 4.72 0.56 -0.59 -4.36 -1.25 -4.97 121.20 120.80 2jey s ILE 354 Ca 0.64 -1.22 -0.07 0.00 -0.26 0.00 0.00 60.65 59.74 2jey s ILE 354 Cb -0.16 -3.58 -0.02 0.00 1.25 0.00 0.00 42.46 39.95 2jey s ILE 354 CO 0.31 -0.33 0.88 -0.94 0.24 0.00 0.00 174.94 175.11 2jey s SER 355 N -3.92 5.97 0.29 4.36 1.04 -1.26 -4.10 113.70 116.08 2jey s SER 355 Ca 0.34 0.94 0.04 0.00 0.48 0.00 0.00 55.95 57.75 2jey s SER 355 Cb -0.08 -2.07 0.73 0.00 0.10 0.00 0.00 66.02 64.69 2jey s SER 355 CO 0.27 -0.84 1.69 -0.09 0.98 0.00 0.00 173.24 175.25 2jey h ARG 356 N -0.06 0.37 -0.16 4.02 9.65 -1.89 -1.44 114.38 124.87 2jey h ARG 356 Ca -0.46 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 2jey h ARG 356 Cb 1.22 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 2jey h ARG 356 CO 0.61 0.24 0.06 0.00 2.80 0.00 0.00 179.97 183.69 2jey h ALA 357 N 1.72 0.21 0.00 2.80 0.00 -1.99 -1.37 119.26 120.62 2jey h ALA 357 Ca 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 2jey h ALA 357 Cb 1.07 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jey h ALA 357 CO -0.54 -0.20 -0.13 1.96 0.00 0.00 0.00 179.25 180.35 2jey h GLN 358 N 0.10 0.00 -0.20 0.00 4.20 -1.80 -0.35 115.11 117.07 2jey h GLN 358 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 2jey h GLN 358 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2jey h GLN 358 CO -0.00 0.13 -0.22 0.35 -0.67 0.00 0.00 178.83 178.42 2jey h PHE 359 N 0.00 0.60 -0.18 2.96 -0.00 -0.38 0.93 116.94 120.88 2jey h PHE 359 Ca -0.00 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.97 57.73 2jey h PHE 359 Cb 0.26 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.07 2jey h PHE 359 CO 0.00 0.86 -0.14 -0.07 -0.00 0.00 0.00 178.31 178.97 2jey h LEU 360 N 0.17 0.27 0.03 0.59 3.38 -0.18 -2.52 115.31 117.05 2jey h LEU 360 Ca 0.03 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2jey h LEU 360 Cb 0.77 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2jey h LEU 360 CO 0.05 0.43 -0.50 0.00 0.09 0.00 0.00 178.44 178.51 2jey h ALA 361 N 1.60 0.02 0.00 1.53 0.00 -1.00 -3.09 119.26 118.32 2jey h ALA 361 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jey h ALA 361 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jey h ALA 361 CO 0.02 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2jey n GLY 362 N 1.24 -0.59 0.08 0.00 0.00 0.32 -1.96 105.19 104.28 2jey n GLY 362 Ca -0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2jey n GLY 362 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jey n VAL 363 N -0.72 1.07 0.97 1.61 0.31 -0.97 -3.08 118.33 117.51 2jey n VAL 363 Ca 0.06 -0.61 0.12 0.00 -0.01 0.00 0.00 64.34 63.89 2jey n VAL 363 Cb 0.03 -0.70 0.55 0.00 -0.91 0.00 0.00 33.84 32.81 2jey n VAL 363 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jey n ARG 364 N -2.67 0.16 -0.08 5.55 5.12 -0.83 0.01 116.66 123.93 2jey n ARG 364 Ca -0.27 0.08 -0.10 0.00 -1.93 0.00 0.00 57.85 55.63 2jey n ARG 364 Cb 0.98 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.62 2jey n ARG 364 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jey n ILE 365 N -1.40 1.45 0.11 0.55 5.41 -1.14 -3.51 119.36 120.83 2jey n ILE 365 Ca 0.08 -0.84 -0.23 0.00 1.00 0.00 0.00 62.75 62.77 2jey n ILE 365 Cb 0.24 -0.64 -0.15 0.00 -0.71 0.00 0.00 39.64 38.37 2jey n ILE 365 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2jey h GLY 366 N 3.80 0.52 -6.04 7.39 0.00 -1.42 0.91 103.07 108.24 2jey h GLY 366 Ca -0.48 -1.33 -0.64 0.00 0.00 0.00 0.00 47.33 44.89 2jey h GLY 366 CO 0.04 1.16 -0.33 -0.62 0.00 0.00 0.00 176.54 176.79 2jey n VAL 367 N -3.64 3.17 0.22 4.60 0.31 0.10 -4.77 118.33 118.32 2jey n VAL 367 Ca -0.20 -5.46 0.14 0.00 -0.01 0.00 0.00 64.34 58.82 2jey n VAL 367 Cb 1.09 -1.88 0.78 0.00 -0.91 0.00 0.00 33.84 32.92 2jey n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jey h PRO 368 N 4.01 0.00 -0.01 5.55 0.13 -1.69 0.23 132.00 140.22 2jey h PRO 368 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2jey h PRO 368 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2jey h PRO 368 CO 0.92 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.61 2jey n GLN 369 N -4.10 1.05 -2.08 0.86 0.00 -1.26 -4.88 117.38 106.97 2jey n GLN 369 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 57.00 56.14 2jey n GLN 369 Cb 0.23 -1.49 -0.02 0.00 0.00 0.00 0.00 30.24 28.96 2jey n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jey s ALA 370 N -2.26 3.57 0.82 2.61 0.00 0.07 -5.03 121.76 121.54 2jey s ALA 370 Ca 0.34 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 2jey s ALA 370 Cb 0.21 -3.52 0.08 0.00 0.00 0.00 0.00 23.12 19.89 2jey s ALA 370 CO 0.42 -0.68 1.09 -1.54 0.00 0.00 0.00 175.76 175.05 2jey s SER 371 N 0.06 4.16 0.31 0.00 1.04 -1.26 -4.75 113.70 113.26 2jey s SER 371 Ca 0.55 1.56 0.04 0.00 0.48 0.00 0.00 55.95 58.59 2jey s SER 371 Cb -0.40 -2.28 0.66 0.00 0.10 0.00 0.00 66.02 64.09 2jey s SER 371 CO 0.46 -2.21 1.85 0.44 0.98 0.00 0.00 173.24 174.75 2jey h ASP 372 N -1.26 0.83 -0.24 7.02 3.32 -1.98 0.92 116.42 125.02 2jey h ASP 372 Ca -0.47 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 2jey h ASP 372 Cb 1.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2jey h ASP 372 CO 0.55 0.43 0.14 0.25 -1.72 0.00 0.00 179.24 178.88 2jey h LEU 373 N 0.88 0.30 -0.76 1.55 5.85 -1.98 0.24 115.31 121.38 2jey h LEU 373 Ca 0.48 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 59.05 2jey h LEU 373 Cb 0.58 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2jey h LEU 373 CO -0.25 0.29 0.08 0.00 -0.34 0.00 0.00 178.44 178.23 2jey h ALA 374 N 1.02 0.97 -0.14 1.25 0.00 -1.54 0.24 119.26 121.07 2jey h ALA 374 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jey h ALA 374 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jey h ALA 374 CO -0.01 0.64 0.08 0.00 0.00 0.00 0.00 179.25 179.96 2jey h ALA 375 N 1.12 0.18 -0.46 0.00 0.00 -0.53 0.35 119.26 119.92 2jey h ALA 375 Ca 0.19 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2jey h ALA 375 Cb 0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2jey h ALA 375 CO 0.01 -0.32 0.23 1.49 0.00 0.00 0.00 179.25 180.67 2jey h GLU 376 N 0.16 0.45 -0.44 0.00 4.57 -0.24 0.85 114.58 119.92 2jey h GLU 376 Ca 0.05 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2jey h GLU 376 Cb 0.02 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.45 2jey h GLU 376 CO -0.01 0.30 0.06 0.00 -1.18 0.00 0.00 179.01 178.18 2jey h ALA 377 N 1.24 0.46 -0.59 2.92 0.00 0.03 0.68 119.26 124.00 2jey h ALA 377 Ca 0.20 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2jey h ALA 377 Cb 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jey h ALA 377 CO -0.14 -0.34 0.16 0.28 0.00 0.00 0.00 179.25 179.21 2jey h VAL 378 N 0.19 1.25 -0.45 0.00 2.07 0.11 -1.25 116.25 118.15 2jey h VAL 378 Ca 0.22 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 2jey h VAL 378 Cb 0.29 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2jey h VAL 378 CO -0.31 0.33 -0.14 0.58 0.02 0.00 0.00 177.57 178.05 2jey h VAL 379 N 0.85 1.27 -0.14 2.57 2.07 0.29 -1.01 116.25 122.16 2jey h VAL 379 Ca 0.19 -1.27 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 2jey h VAL 379 Cb 0.33 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2jey h VAL 379 CO -0.00 0.43 -0.49 -0.07 0.02 0.00 0.00 177.57 177.46 2jey h LEU 380 N 0.73 0.39 -0.41 2.57 3.38 0.37 0.52 115.31 122.86 2jey h LEU 380 Ca 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2jey h LEU 380 Cb 0.69 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2jey h LEU 380 CO 0.05 0.82 0.11 -0.74 0.09 0.00 0.00 178.44 178.77 2jey h HIS 381 N 0.29 0.67 0.00 1.13 2.76 -0.92 -3.27 115.15 115.81 2jey h HIS 381 Ca 0.01 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.05 2jey h HIS 381 Cb 0.97 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 2jey h HIS 381 CO 0.03 0.63 -0.83 1.88 -1.30 0.00 0.00 177.93 178.34 2jey h TYR 382 N 0.52 0.00 -2.53 5.26 -1.99 -0.93 -3.45 116.97 113.86 2jey h TYR 382 Ca 0.13 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.32 2jey h TYR 382 Cb 0.29 0.00 0.06 0.00 2.00 0.00 0.00 36.73 39.08 2jey h TYR 382 CO 0.01 0.22 0.97 2.41 -0.00 0.00 0.00 178.16 181.78 2jey n THR 383 N -2.90 0.05 -2.76 -2.88 -1.04 0.15 -4.83 114.28 100.06 2jey n THR 383 Ca -0.01 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2jey n THR 383 Cb 0.65 -1.88 -0.04 0.00 -1.82 0.00 0.00 70.33 67.24 2jey n THR 383 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jey s ASP 384 N 1.32 6.32 0.48 8.00 -1.08 -1.26 -4.90 116.67 125.56 2jey s ASP 384 Ca 0.77 -0.35 0.32 0.00 -0.52 0.00 0.00 52.55 52.77 2jey s ASP 384 Cb -0.55 -2.47 1.39 0.00 -1.46 0.00 0.00 42.92 39.84 2jey s ASP 384 CO 0.34 -1.36 1.95 -0.50 0.52 0.00 0.00 175.17 176.13 2jey h TRP 385 N 9.45 0.00 -0.31 -5.34 4.06 -1.92 0.28 115.95 122.18 2jey h TRP 385 Ca -0.26 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.56 2jey h TRP 385 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 2jey h TRP 385 CO 0.96 0.00 -0.34 -0.07 -3.56 0.00 0.00 178.44 175.44 2jey h LEU 386 N 0.00 0.73 -5.64 -4.49 4.07 -2.03 -3.35 115.31 104.59 2jey h LEU 386 Ca 0.00 -0.30 -0.56 0.00 0.08 0.00 0.00 57.88 57.10 2jey h LEU 386 Cb 0.39 -0.20 -0.41 0.00 1.08 0.00 0.00 40.66 41.52 2jey h LEU 386 CO 0.00 1.00 -0.81 1.41 -1.08 0.00 0.00 178.44 178.96 2jey n HIS 387 N -4.06 2.68 0.18 1.13 8.25 0.81 -4.95 115.22 119.26 2jey n HIS 387 Ca -0.01 -3.94 0.06 0.00 -0.26 0.00 0.00 57.72 53.57 2jey n HIS 387 Cb 0.49 -0.47 0.56 0.00 1.12 0.00 0.00 29.99 31.69 2jey n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jey h PRO 388 N 3.21 0.16 -0.01 -0.41 0.13 -1.18 -2.83 132.00 131.06 2jey h PRO 388 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2jey h PRO 388 Cb 0.67 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2jey h PRO 388 CO 0.71 0.13 -0.01 0.39 -0.23 0.00 0.00 178.00 178.99 2jey n GLU 389 N -4.49 0.06 -1.80 0.86 1.02 -1.26 -4.84 120.64 110.20 2jey n GLU 389 Ca -0.01 -0.84 -0.43 0.00 -0.02 0.00 0.00 57.16 55.86 2jey n GLU 389 Cb 0.10 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 2jey n GLU 389 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jey s ASP 390 N -0.56 5.96 0.23 1.62 2.15 -1.07 -4.62 116.67 120.38 2jey s ASP 390 Ca 0.07 1.92 -0.07 0.00 0.43 0.00 0.00 52.55 54.91 2jey s ASP 390 Cb 0.05 -2.52 0.28 0.00 -0.30 0.00 0.00 42.92 40.43 2jey s ASP 390 CO 0.08 -1.56 1.87 -0.65 -0.17 0.00 0.00 175.17 174.74 2jey h PRO 391 N 12.74 0.99 -0.71 4.34 0.11 -1.91 -1.25 132.00 146.31 2jey h PRO 391 Ca -0.40 -0.06 0.15 0.00 0.11 0.00 0.00 66.00 65.80 2jey h PRO 391 Cb 1.21 -0.22 -0.10 0.00 0.11 0.00 0.00 31.00 31.99 2jey h PRO 391 CO 0.98 0.66 0.18 1.15 -0.21 0.00 0.00 178.00 180.75 2jey h THR 392 N 1.02 0.55 0.38 -1.15 2.02 -1.90 0.36 112.91 114.20 2jey h THR 392 Ca 0.35 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 2jey h THR 392 Cb 0.06 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2jey h THR 392 CO -0.13 0.05 -0.18 0.45 0.37 0.00 0.00 175.52 176.08 2jey h HIS 393 N 0.28 -0.47 -0.69 3.16 3.86 -1.61 -0.21 115.15 119.46 2jey h HIS 393 Ca 0.40 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.70 2jey h HIS 393 Cb 0.65 0.16 -0.08 0.00 1.06 0.00 0.00 27.41 29.20 2jey h HIS 393 CO -0.25 -0.17 0.30 -0.07 0.86 0.00 0.00 177.93 178.59 2jey h LEU 394 N -0.75 0.32 -0.09 2.43 3.38 -0.61 1.09 115.31 121.09 2jey h LEU 394 Ca -0.05 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jey h LEU 394 Cb 0.51 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jey h LEU 394 CO 0.09 0.17 0.05 -0.09 0.09 0.00 0.00 178.44 178.75 2jey h ARG 395 N 0.49 0.12 -0.57 1.13 1.12 -0.28 0.17 114.38 116.56 2jey h ARG 395 Ca 0.36 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.14 2jey h ARG 395 Cb 0.46 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.37 2jey h ARG 395 CO -0.33 0.13 0.06 -0.44 -3.11 0.00 0.00 179.97 176.28 2jey h ASP 396 N 0.08 0.90 -0.57 -3.80 3.32 0.94 -1.63 116.42 115.66 2jey h ASP 396 Ca 0.03 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 2jey h ASP 396 Cb 0.04 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2jey h ASP 396 CO -0.01 0.93 0.28 0.00 -1.72 0.00 0.00 179.24 178.72 2jey h ALA 397 N 1.17 1.35 0.49 3.45 0.00 0.14 0.75 119.26 126.61 2jey h ALA 397 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2jey h ALA 397 Cb 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jey h ALA 397 CO 0.02 0.50 -0.24 1.98 0.00 0.00 0.00 179.25 181.51 2jey h MET 398 N 0.85 -0.64 -0.56 0.00 -1.53 -0.21 1.24 114.93 114.08 2jey h MET 398 Ca 0.21 0.04 0.10 0.00 -3.44 0.00 0.00 59.70 56.62 2jey h MET 398 Cb 0.11 0.14 -0.11 0.00 -0.55 0.00 0.00 31.60 31.20 2jey h MET 398 CO -0.03 -0.39 -0.30 1.03 0.14 0.00 0.00 176.91 177.37 2jey h SER 399 N -0.74 -1.03 0.31 1.39 0.87 -0.93 -1.16 113.55 112.26 2jey h SER 399 Ca -0.07 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2jey h SER 399 Cb 0.54 0.53 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 2jey h SER 399 CO 0.11 -0.29 -0.42 0.00 -0.53 0.00 0.00 176.83 175.70 2jey h ALA 400 N 1.08 -0.85 -0.69 6.23 0.00 0.97 -0.12 119.26 125.88 2jey h ALA 400 Ca 0.24 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.16 2jey h ALA 400 Cb 0.53 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 2jey h ALA 400 CO -0.65 -1.03 -0.18 0.28 0.00 0.00 0.00 179.25 177.67 2jey h VAL 401 N -0.78 0.30 -0.29 0.00 2.07 0.21 0.28 116.25 118.05 2jey h VAL 401 Ca -0.02 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 2jey h VAL 401 Cb 0.72 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2jey h VAL 401 CO -0.13 0.00 -0.53 0.58 0.02 0.00 0.00 177.57 177.51 2jey h VAL 402 N -0.01 1.28 0.40 2.57 2.07 -1.05 0.14 116.25 121.65 2jey h VAL 402 Ca 0.33 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 2jey h VAL 402 Cb 0.51 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2jey h VAL 402 CO -0.72 0.56 -0.19 1.23 0.02 0.00 0.00 177.57 178.47 2jey h GLY 403 N 0.75 -0.56 0.55 2.17 0.00 0.55 -1.56 103.07 104.96 2jey h GLY 403 Ca 0.02 0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.59 2jey h GLY 403 CO 0.12 -0.20 -0.14 -0.55 0.00 0.00 0.00 176.54 175.76 2jey h ASP 404 N -0.81 -0.43 -0.68 0.19 3.32 -0.56 0.68 116.42 118.13 2jey h ASP 404 Ca -0.06 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.12 2jey h ASP 404 Cb 0.54 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 2jey h ASP 404 CO 0.09 -0.19 0.40 -0.74 -1.72 0.00 0.00 179.24 177.08 2jey h HIS 405 N -0.20 0.73 0.00 4.55 2.76 -0.69 -1.03 115.15 121.28 2jey h HIS 405 Ca 0.08 0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 57.93 2jey h HIS 405 Cb 0.30 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 28.97 2jey h HIS 405 CO -0.24 0.37 -2.33 0.09 -1.30 0.00 0.00 177.93 174.53 2jey n ASN 406 N -4.75 0.04 0.07 3.26 3.02 -0.59 -4.41 115.26 111.91 2jey n ASN 406 Ca 0.08 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2jey n ASN 406 Cb 0.15 1.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 2jey n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jey n VAL 407 N -2.72 0.65 0.07 2.41 0.31 0.22 -4.64 118.33 114.63 2jey n VAL 407 Ca -0.30 0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 64.10 2jey n VAL 407 Cb 1.11 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 32.86 2jey n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jey h VAL 408 N 0.00 0.06 -0.27 2.52 2.07 -1.13 0.30 116.25 119.80 2jey h VAL 408 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 2jey h VAL 408 Cb 0.00 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2jey h VAL 408 CO 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 177.20 2jey h PRO 410 N 0.48 0.71 -0.46 0.00 0.11 -1.63 0.34 132.00 131.54 2jey h PRO 410 Ca 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2jey h PRO 410 Cb 0.98 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 2jey h PRO 410 CO 0.09 0.47 0.29 0.28 -0.21 0.00 0.00 178.00 178.92 2jey h VAL 411 N 0.73 1.14 0.15 3.15 2.07 0.23 0.16 116.25 123.88 2jey h VAL 411 Ca 0.43 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2jey h VAL 411 Cb 0.49 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2jey h VAL 411 CO -0.30 0.14 -0.47 0.00 0.02 0.00 0.00 177.57 176.96 2jey h ALA 412 N 1.14 -0.87 -0.19 1.67 0.00 0.12 1.26 119.26 122.40 2jey h ALA 412 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jey h ALA 412 Cb -0.03 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2jey h ALA 412 CO -0.03 -1.06 -0.06 0.37 0.00 0.00 0.00 179.25 178.47 2jey h GLN 413 N -0.72 -0.02 0.06 0.00 5.75 -0.12 0.26 115.11 120.31 2jey h GLN 413 Ca 0.01 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 2jey h GLN 413 Cb 0.73 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.25 2jey h GLN 413 CO -0.25 -0.02 -0.25 1.25 -2.65 0.00 0.00 178.83 176.91 2jey h LEU 414 N -0.03 -0.74 -0.61 -2.39 5.85 0.05 0.70 115.31 118.15 2jey h LEU 414 Ca 0.10 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2jey h LEU 414 Cb 0.17 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2jey h LEU 414 CO -0.21 -0.33 0.34 0.00 -0.34 0.00 0.00 178.44 177.90 2jey h ALA 415 N 0.36 0.81 0.26 1.25 0.00 0.20 0.17 119.26 122.31 2jey h ALA 415 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jey h ALA 415 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jey h ALA 415 CO -0.19 0.03 -0.12 0.78 0.00 0.00 0.00 179.25 179.75 2jey h GLY 416 N 0.65 -0.36 0.77 0.00 0.00 0.22 -2.03 103.07 102.32 2jey h GLY 416 Ca 0.27 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 2jey h GLY 416 CO -0.16 -0.13 0.01 3.21 0.00 0.00 0.00 176.54 179.47 2jey h ARG 417 N -0.37 0.12 -0.74 4.80 2.47 0.99 -0.74 114.38 120.91 2jey h ARG 417 Ca -0.04 -0.03 0.16 0.00 -1.26 0.00 0.00 59.98 58.81 2jey h ARG 417 Cb 0.28 -0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 28.48 2jey h ARG 417 CO 0.06 0.35 0.20 -0.07 0.56 0.00 0.00 179.97 181.06 2jey h LEU 418 N -0.13 0.06 0.41 3.04 3.38 -0.74 0.17 115.31 121.51 2jey h LEU 418 Ca 0.02 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2jey h LEU 418 Cb 0.29 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jey h LEU 418 CO 0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 178.44 178.32 2jey h ALA 419 N 1.60 -0.55 -0.92 1.53 0.00 -0.95 0.42 119.26 120.38 2jey h ALA 419 Ca 0.42 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.32 2jey h ALA 419 Cb 0.70 0.21 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 2jey h ALA 419 CO -0.49 -0.66 -0.23 0.00 0.00 0.00 0.00 179.25 177.87 2jey h ALA 420 N -0.46 0.61 -0.29 0.00 0.00 -0.74 0.24 119.26 118.63 2jey h ALA 420 Ca -0.06 0.36 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2jey h ALA 420 Cb 0.55 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2jey h ALA 420 CO 0.09 -0.39 0.10 1.04 0.00 0.00 0.00 179.25 180.10 2jey n GLN 421 N -5.59 2.12 -0.48 0.00 3.00 0.56 -4.87 117.38 112.12 2jey n GLN 421 Ca 0.14 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 2jey n GLN 421 Cb 0.46 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 29.04 2jey n GLN 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jey n GLY 422 N 0.09 0.74 3.79 1.08 0.00 0.85 -1.36 105.19 110.38 2jey n GLY 422 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2jey n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey s ALA 423 N -2.86 2.97 -0.12 4.61 0.00 0.14 -3.54 121.76 122.96 2jey s ALA 423 Ca 0.00 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 2jey s ALA 423 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2jey s ALA 423 CO 0.00 -0.29 0.71 0.50 0.00 0.00 0.00 175.76 176.68 2jey s ARG 424 N -2.88 4.35 -0.04 0.00 3.52 0.31 -4.13 118.95 120.08 2jey s ARG 424 Ca 0.63 0.84 0.03 0.00 -0.13 0.00 0.00 55.73 57.10 2jey s ARG 424 Cb -0.20 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 2jey s ARG 424 CO 0.24 -0.10 -0.12 0.08 -0.81 0.00 0.00 175.30 174.59 2jey s VAL 425 N 1.37 1.07 -0.10 7.11 1.01 -1.26 -0.22 120.40 129.38 2jey s VAL 425 Ca 0.35 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2jey s VAL 425 Cb -0.17 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 2jey s VAL 425 CO 0.15 0.33 -0.23 -0.31 0.00 0.00 0.00 175.10 175.04 2jey s TYR 426 N 0.32 2.59 0.19 5.22 1.51 0.34 0.17 117.35 127.69 2jey s TYR 426 Ca -0.07 -1.00 0.10 0.00 -1.01 0.00 0.00 57.07 55.09 2jey s TYR 426 Cb -0.12 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2jey s TYR 426 CO 0.02 -0.40 -0.17 0.00 -1.11 0.00 0.00 175.55 173.90 2jey s ALA 427 N 0.35 2.75 0.07 3.71 0.00 -1.24 0.89 121.76 128.30 2jey s ALA 427 Ca -0.18 -1.56 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 2jey s ALA 427 Cb -0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2jey s ALA 427 CO 0.08 0.44 0.09 1.52 0.00 0.00 0.00 175.76 177.89 2jey s TYR 428 N -1.72 0.34 -0.11 0.00 -0.85 0.39 -1.45 117.35 113.96 2jey s TYR 428 Ca 0.23 -0.83 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 2jey s TYR 428 Cb -0.08 -0.22 0.01 0.00 0.38 0.00 0.00 41.96 42.04 2jey s TYR 428 CO 0.13 -0.47 -0.18 -1.50 -1.52 0.00 0.00 175.55 172.00 2jey s ILE 429 N -3.90 1.72 -0.24 -3.49 2.07 0.66 -2.29 121.20 115.74 2jey s ILE 429 Ca 0.07 -0.79 -0.22 0.00 -1.41 0.00 0.00 60.65 58.30 2jey s ILE 429 Cb 0.06 -1.53 -0.02 0.00 0.13 0.00 0.00 42.46 41.10 2jey s ILE 429 CO -0.10 0.48 0.69 0.12 -1.91 0.00 0.00 174.94 174.23 2jey s PHE 430 N 0.77 3.31 -0.51 3.50 2.19 0.10 -0.14 117.98 127.20 2jey s PHE 430 Ca -0.10 0.94 0.05 0.00 0.33 0.00 0.00 56.93 58.15 2jey s PHE 430 Cb -0.16 -2.90 0.00 0.00 -1.31 0.00 0.00 43.02 38.66 2jey s PHE 430 CO 0.01 -0.32 0.48 0.39 1.83 0.00 0.00 175.22 177.61 2jey n GLU 431 N 5.70 2.12 -2.85 10.12 1.02 0.29 -1.19 120.64 135.83 2jey n GLU 431 Ca 0.01 -0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 56.25 2jey n GLU 431 Cb 0.49 -0.95 -0.04 0.00 -0.02 0.00 0.00 31.44 30.91 2jey n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jey s HIS 432 N -0.89 3.35 -0.16 -0.32 2.46 -1.23 -4.90 115.29 113.60 2jey s HIS 432 Ca 0.05 1.23 -0.25 0.00 0.47 0.00 0.00 55.06 56.56 2jey s HIS 432 Cb 0.04 -3.08 -0.02 0.00 -0.13 0.00 0.00 32.58 29.40 2jey s HIS 432 CO 0.13 -0.37 0.80 0.50 -2.47 0.00 0.00 174.74 173.33 2jey s ARG 433 N 2.70 4.31 0.19 2.88 3.52 -1.26 -4.90 118.95 126.38 2jey s ARG 433 Ca 0.37 0.96 -0.33 0.00 -0.13 0.00 0.00 55.73 56.61 2jey s ARG 433 Cb -0.16 -3.56 -0.15 0.00 -1.56 0.00 0.00 34.95 29.53 2jey s ARG 433 CO 0.09 -0.27 1.33 0.00 -0.81 0.00 0.00 175.30 175.63 2jey n ALA 434 N 5.04 0.22 0.07 6.12 0.00 -1.26 -4.87 120.51 125.82 2jey n ALA 434 Ca 0.03 0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.95 2jey n ALA 434 Cb 0.49 -2.17 0.43 0.00 0.00 0.00 0.00 19.45 18.20 2jey n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jey h SER 435 N 4.10 0.34 -0.11 0.00 4.64 -1.95 -2.33 113.55 118.25 2jey h SER 435 Ca -0.45 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2jey h SER 435 Cb 1.30 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jey h SER 435 CO 0.75 0.33 0.00 0.35 -0.87 0.00 0.00 176.83 177.39 2jey n THR 436 N -4.41 0.15 -2.21 2.95 -2.24 -1.26 -4.94 114.28 102.32 2jey n THR 436 Ca 0.01 -0.17 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 2jey n THR 436 Cb 0.14 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 2jey n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jey s LEU 437 N -1.21 4.28 -0.00 3.22 2.96 -0.88 -4.92 118.68 122.12 2jey s LEU 437 Ca 0.17 2.49 0.14 0.00 -0.22 0.00 0.00 54.13 56.71 2jey s LEU 437 Cb 0.08 -3.88 -0.16 0.00 0.50 0.00 0.00 46.19 42.73 2jey s LEU 437 CO 0.13 -0.65 0.58 1.07 -1.32 0.00 0.00 176.35 176.16 2jey n THR 438 N 0.33 0.00 -2.00 3.68 5.66 -1.26 -4.93 114.28 115.77 2jey n THR 438 Ca 0.03 -0.18 -0.31 0.00 -3.05 0.00 0.00 64.05 60.54 2jey n THR 438 Cb 0.45 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 70.17 2jey n THR 438 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2jey s TRP 439 N -2.39 3.49 0.83 1.09 0.52 -1.26 -4.87 118.94 116.35 2jey s TRP 439 Ca 0.05 1.36 -0.12 0.00 0.02 0.00 0.00 56.10 57.41 2jey s TRP 439 Cb 0.11 -2.77 0.09 0.00 -1.15 0.00 0.00 33.47 29.75 2jey s TRP 439 CO 0.59 -0.68 1.12 -1.25 0.02 0.00 0.00 176.95 176.75 2jey s PRO 440 N -4.80 1.78 0.44 4.98 0.04 -1.26 -4.92 135.00 131.26 2jey s PRO 440 Ca 0.57 0.46 0.13 0.00 0.04 0.00 0.00 61.00 62.20 2jey s PRO 440 Cb -0.11 -1.90 0.97 0.00 0.04 0.00 0.00 34.50 33.50 2jey s PRO 440 CO 0.47 -1.79 2.00 -0.07 0.04 0.00 0.00 177.00 177.64 2jey h LEU 441 N -1.21 0.09 -2.23 -3.56 3.38 -1.95 -2.39 115.31 107.44 2jey h LEU 441 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2jey h LEU 441 Cb 1.30 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2jey h LEU 441 CO 0.61 0.22 0.00 4.11 0.09 0.00 0.00 178.44 183.47 2jey h TRP 442 N 0.09 0.00 0.00 1.13 5.08 -1.92 0.67 115.95 121.00 2jey h TRP 442 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.99 2jey h TRP 442 Cb 0.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.43 2jey h TRP 442 CO 0.00 0.00 -0.33 -1.33 -1.28 0.00 0.00 178.44 175.50 2jey n MET 443 N -2.79 0.17 0.00 0.12 2.81 -0.90 -4.97 117.12 111.56 2jey n MET 443 Ca -0.02 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2jey n MET 443 Cb 0.09 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 2jey n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jey n GLY 444 N 1.40 3.74 3.18 3.03 0.00 0.23 -3.40 105.19 113.38 2jey n GLY 444 Ca 0.05 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 2jey n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jey s VAL 445 N 0.00 4.38 0.88 1.61 1.01 -1.26 -4.79 120.40 122.22 2jey s VAL 445 Ca 0.00 -2.73 -0.12 0.00 0.00 0.00 0.00 61.98 59.13 2jey s VAL 445 Cb 0.00 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.70 2jey s VAL 445 CO 0.00 -0.92 1.10 -2.84 0.00 0.00 0.00 175.10 172.43 2jey s PRO 446 N 0.09 1.42 0.07 2.72 0.02 -1.22 -1.34 135.00 136.77 2jey s PRO 446 Ca 0.17 0.71 -0.37 0.00 0.02 0.00 0.00 61.00 61.52 2jey s PRO 446 Cb -0.17 -1.84 -0.17 0.00 0.02 0.00 0.00 34.50 32.34 2jey s PRO 446 CO -0.05 -2.10 1.34 1.58 -0.33 0.00 0.00 177.00 177.44 2jey n HIS 447 N -3.77 1.48 0.00 6.54 -0.00 -1.25 -1.90 115.22 116.31 2jey n HIS 447 Ca 0.07 0.66 0.00 0.00 -0.00 0.00 0.00 57.72 58.45 2jey n HIS 447 Cb 0.56 -2.32 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 2jey n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jey n GLY 448 N 2.51 3.44 0.96 1.57 0.00 -1.26 -4.93 105.19 107.48 2jey n GLY 448 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 2jey n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jey n TYR 449 N -1.89 0.67 0.43 1.61 4.02 -0.80 -2.45 117.16 118.76 2jey n TYR 449 Ca 0.00 -0.26 0.10 0.00 -0.01 0.00 0.00 57.90 57.73 2jey n TYR 449 Cb 0.00 -0.24 -0.14 0.00 -0.02 0.00 0.00 39.34 38.94 2jey n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jey n GLU 450 N 0.19 0.49 0.07 -0.72 0.00 -1.26 -4.66 120.64 114.73 2jey n GLU 450 Ca 0.09 -0.10 -0.13 0.00 0.00 0.00 0.00 57.16 57.02 2jey n GLU 450 Cb 0.56 -1.48 -0.08 0.00 0.00 0.00 0.00 31.44 30.45 2jey n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jey h ILE 451 N 0.00 0.99 -0.97 3.84 2.04 -1.84 -0.51 117.51 121.06 2jey h ILE 451 Ca 0.00 -0.22 0.32 0.00 1.00 0.00 0.00 64.86 65.96 2jey h ILE 451 Cb 0.74 1.13 -0.17 0.00 -0.74 0.00 0.00 36.82 37.78 2jey h ILE 451 CO 0.00 0.05 0.34 -0.33 0.00 0.00 0.00 178.15 178.22 2jey h GLU 452 N -0.20 0.11 -0.01 2.37 5.08 -1.79 0.28 114.58 120.42 2jey h GLU 452 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jey h GLU 452 Cb 0.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jey h GLU 452 CO 0.02 0.08 -0.05 0.74 -1.00 0.00 0.00 179.01 178.80 2jey h PHE 453 N 0.12 0.07 -0.96 4.33 0.04 -1.54 0.10 116.94 119.11 2jey h PHE 453 Ca 0.69 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.47 2jey h PHE 453 Cb 1.60 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 39.69 2jey h PHE 453 CO -0.19 0.67 0.62 0.82 -0.60 0.00 0.00 178.31 179.62 2jey h ILE 454 N -0.54 1.15 0.00 -0.55 1.08 -0.09 -1.48 117.51 117.08 2jey h ILE 454 Ca -0.00 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2jey h ILE 454 Cb 0.67 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2jey h ILE 454 CO 0.01 0.22 0.00 0.49 -0.69 0.00 0.00 178.15 178.18 2jey n PHE 455 N -4.48 0.67 -0.81 1.37 3.01 0.88 -4.15 117.46 113.96 2jey n PHE 455 Ca 0.13 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.80 2jey n PHE 455 Cb 0.10 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 2jey n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jey n GLY 456 N 1.11 1.12 0.29 1.37 0.00 -0.56 -3.87 105.19 104.66 2jey n GLY 456 Ca 0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 2jey n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jey h LEU 457 N 0.00 0.86 -0.17 0.99 4.07 -1.03 -1.85 115.31 118.18 2jey h LEU 457 Ca 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2jey h LEU 457 Cb 0.34 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.86 2jey h LEU 457 CO 0.00 0.91 0.19 -2.65 -1.08 0.00 0.00 178.44 175.82 2jey n PRO 458 N -4.20 0.02 0.21 1.13 -0.02 -1.26 -0.74 135.00 130.14 2jey n PRO 458 Ca 0.03 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2jey n PRO 458 Cb 0.31 -1.75 0.17 0.00 -0.02 0.00 0.00 33.50 32.21 2jey n PRO 458 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jey h LEU 459 N 0.00 0.00 -8.70 2.45 4.07 -1.63 -3.40 115.31 108.10 2jey h LEU 459 Ca 0.00 -0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 2jey h LEU 459 Cb 0.39 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.05 2jey h LEU 459 CO 0.00 0.00 0.82 -0.62 -1.08 0.00 0.00 178.44 177.56 2jey s ASP 460 N -6.12 6.58 0.37 -0.43 2.15 0.08 -4.74 116.67 114.56 2jey s ASP 460 Ca 0.07 0.33 0.13 0.00 0.43 0.00 0.00 52.55 53.51 2jey s ASP 460 Cb 0.05 -2.52 0.73 0.00 -0.30 0.00 0.00 42.92 40.88 2jey s ASP 460 CO 0.67 -1.20 1.83 -0.65 -0.17 0.00 0.00 175.17 175.66 2jey h PRO 461 N 9.20 0.01 0.00 4.34 0.11 -1.85 -1.95 132.00 141.86 2jey h PRO 461 Ca -0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2jey h PRO 461 Cb 1.06 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jey h PRO 461 CO 1.10 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 178.13 2jey n SER 462 N -4.11 0.00 -0.73 -2.05 3.41 -1.26 -2.40 113.62 106.48 2jey n SER 462 Ca -0.02 -0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.54 2jey n SER 462 Cb 0.40 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.43 2jey n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jey n LEU 463 N -0.99 2.50 -1.79 1.04 4.77 -0.73 -4.97 117.00 116.82 2jey n LEU 463 Ca 0.04 -0.86 -0.18 0.00 -0.03 0.00 0.00 56.01 54.97 2jey n LEU 463 Cb 0.02 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2jey n LEU 463 CO 0.03 0.43 -0.21 0.59 -1.33 0.00 0.00 177.39 176.90 2jey n ASN 464 N 0.69 -5.27 -4.77 -1.43 3.02 -1.01 -4.95 115.26 101.54 2jey n ASN 464 Ca 0.12 0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 54.48 2jey n ASN 464 Cb 0.53 -4.35 -0.03 0.00 -0.61 0.00 0.00 39.78 35.32 2jey n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jey s TYR 465 N -2.81 3.22 0.89 3.10 2.02 -1.26 -4.68 117.35 117.82 2jey s TYR 465 Ca 0.00 1.61 -0.10 0.00 -0.37 0.00 0.00 57.07 58.21 2jey s TYR 465 Cb 0.00 -3.27 0.13 0.00 -0.40 0.00 0.00 41.96 38.41 2jey s TYR 465 CO 0.00 -0.93 1.13 0.95 -1.57 0.00 0.00 175.55 175.12 2jey s THR 466 N -1.47 2.42 0.31 -0.71 -4.23 -1.26 -4.79 115.64 105.91 2jey s THR 466 Ca 0.55 0.14 0.04 0.00 -1.18 0.00 0.00 61.69 61.24 2jey s THR 466 Cb -0.28 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.36 2jey s THR 466 CO 0.35 -0.18 1.77 0.00 -0.54 0.00 0.00 174.62 176.02 2jey h THR 467 N -1.70 1.25 -0.09 3.99 1.03 -1.95 -1.43 112.91 114.01 2jey h THR 467 Ca -0.44 -1.15 -0.01 0.00 -0.01 0.00 0.00 66.41 64.80 2jey h THR 467 Cb 1.26 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 69.63 2jey h THR 467 CO 0.45 0.36 -0.01 -0.33 -0.01 0.00 0.00 175.52 175.99 2jey h GLU 468 N 0.39 0.12 0.03 0.00 3.07 -1.99 -0.79 114.58 115.40 2jey h GLU 468 Ca 0.06 -0.01 -0.27 0.00 -0.50 0.00 0.00 59.36 58.65 2jey h GLU 468 Cb 0.58 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2jey h GLU 468 CO 0.04 0.14 -1.07 0.93 -1.40 0.00 0.00 179.01 177.65 2jey h GLU 469 N 0.12 0.63 -0.36 2.33 5.08 -1.74 -1.49 114.58 119.14 2jey h GLU 469 Ca 0.03 -0.71 0.08 0.00 -1.00 0.00 0.00 59.36 57.76 2jey h GLU 469 Cb 0.10 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2jey h GLU 469 CO 0.00 1.30 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.93 2jey h ARG 470 N 0.34 -0.23 -0.61 2.33 1.12 -0.60 0.35 114.38 117.07 2jey h ARG 470 Ca -0.13 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.70 2jey h ARG 470 Cb 1.73 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 31.71 2jey h ARG 470 CO 0.20 -0.15 0.16 0.82 -3.11 0.00 0.00 179.97 177.89 2jey h ILE 471 N -0.24 1.24 0.46 1.20 2.04 -1.10 -2.28 117.51 118.82 2jey h ILE 471 Ca 0.17 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2jey h ILE 471 Cb 0.51 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2jey h ILE 471 CO -0.50 0.33 -0.22 0.15 0.00 0.00 0.00 178.15 177.91 2jey h PHE 472 N 0.92 -0.57 -1.07 1.37 3.57 -0.80 -2.28 116.94 118.07 2jey h PHE 472 Ca 0.20 -0.01 0.36 0.00 3.53 0.00 0.00 57.97 62.04 2jey h PHE 472 Cb 0.32 0.19 -0.15 0.00 2.79 0.00 0.00 35.95 39.10 2jey h PHE 472 CO 0.02 -0.26 0.63 0.00 -2.23 0.00 0.00 178.31 176.47 2jey h ALA 473 N -0.45 2.18 -0.31 2.41 0.00 -0.04 0.26 119.26 123.32 2jey h ALA 473 Ca -0.06 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2jey h ALA 473 Cb 0.57 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jey h ALA 473 CO 0.10 -0.81 -0.48 1.96 0.00 0.00 0.00 179.25 180.02 2jey h GLN 474 N 0.22 0.86 0.01 0.00 4.20 -1.15 0.19 115.11 119.45 2jey h GLN 474 Ca 0.76 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 2jey h GLN 474 Cb 1.96 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.78 2jey h GLN 474 CO -0.57 1.14 -0.01 0.00 -0.67 0.00 0.00 178.83 178.72 2jey h ARG 475 N 0.67 -0.02 0.24 1.46 3.08 0.00 -0.63 114.38 119.18 2jey h ARG 475 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2jey h ARG 475 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2jey h ARG 475 CO 0.11 0.05 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.88 2jey h LEU 476 N -0.09 -0.28 -1.39 3.04 3.38 -0.65 0.28 115.31 119.61 2jey h LEU 476 Ca -0.00 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.16 2jey h LEU 476 Cb 0.08 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2jey h LEU 476 CO 0.00 -0.20 0.59 0.24 0.09 0.00 0.00 178.44 179.17 2jey h MET 477 N -0.32 0.51 -0.12 1.13 2.86 -0.57 0.40 114.93 118.81 2jey h MET 477 Ca -0.03 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 2jey h MET 477 Cb 0.25 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2jey h MET 477 CO 0.05 0.34 -0.55 -0.22 1.06 0.00 0.00 176.91 177.59 2jey h LYS 478 N 0.52 0.37 -0.03 1.72 3.64 0.71 0.12 116.57 123.63 2jey h LYS 478 Ca 0.48 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2jey h LYS 478 Cb 1.01 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2jey h LYS 478 CO -0.21 0.82 -0.04 1.88 -2.27 0.00 0.00 179.45 179.63 2jey h TYR 479 N 0.28 0.10 -0.08 1.91 0.05 0.30 0.62 116.97 120.15 2jey h TYR 479 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2jey h TYR 479 Cb 1.05 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 2jey h TYR 479 CO 0.03 0.60 0.05 -1.49 -1.05 0.00 0.00 178.16 176.30 2jey h TRP 480 N -0.43 0.10 0.00 4.88 6.55 -0.67 1.08 115.95 127.45 2jey h TRP 480 Ca 0.00 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.74 2jey h TRP 480 Cb 0.59 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.84 2jey h TRP 480 CO 0.11 0.06 -0.49 1.79 -1.05 0.00 0.00 178.44 178.86 2jey h THR 481 N 0.10 1.17 -0.21 1.49 1.35 -0.82 0.44 112.91 116.44 2jey h THR 481 Ca 0.03 -1.79 -0.12 0.00 -0.55 0.00 0.00 66.41 63.98 2jey h THR 481 Cb -0.01 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2jey h THR 481 CO -0.01 0.48 -0.35 0.78 -0.25 0.00 0.00 175.52 176.17 2jey h ASN 482 N 0.00 0.67 -0.70 5.36 2.35 -0.26 0.25 115.58 123.24 2jey h ASN 482 Ca -0.00 -0.53 0.06 0.00 -0.55 0.00 0.00 56.30 55.28 2jey h ASN 482 Cb 0.97 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.10 2jey h ASN 482 CO 0.06 1.07 0.39 0.15 -1.65 0.00 0.00 177.43 177.46 2jey h PHE 483 N 0.29 0.72 -0.69 1.19 3.57 0.17 0.44 116.94 122.63 2jey h PHE 483 Ca 0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2jey h PHE 483 Cb 0.94 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 2jey h PHE 483 CO 0.09 0.34 0.46 0.00 -2.23 0.00 0.00 178.31 176.96 2jey h ALA 484 N 1.37 0.88 -0.36 2.41 0.00 0.37 0.31 119.26 124.23 2jey h ALA 484 Ca 0.32 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2jey h ALA 484 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jey h ALA 484 CO -0.19 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.22 2jey h ARG 485 N 0.93 0.72 0.00 0.00 3.08 0.99 -3.39 114.38 116.71 2jey h ARG 485 Ca 0.25 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2jey h ARG 485 Cb -0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2jey h ARG 485 CO -0.06 0.90 -0.04 0.25 -1.07 0.00 0.00 179.97 179.95 2jey n THR 486 N -4.35 0.00 -1.00 2.04 -2.24 -0.00 -4.99 114.28 103.73 2jey n THR 486 Ca -0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2jey n THR 486 Cb 0.38 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2jey n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jey n GLY 487 N 0.58 0.52 2.81 3.38 0.00 0.11 -5.00 105.19 107.59 2jey n GLY 487 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jey n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jey s ASP 488 N -2.08 1.02 0.00 1.61 -1.08 -1.25 -4.85 116.67 110.04 2jey s ASP 488 Ca 0.00 -0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.05 2jey s ASP 488 Cb 0.00 0.57 0.23 0.00 -1.46 0.00 0.00 42.92 42.26 2jey s ASP 488 CO 0.00 -0.31 1.10 -0.81 0.52 0.00 0.00 175.17 175.67 2jey n PRO 489 N 5.33 0.03 -2.75 4.34 -0.04 -1.26 -3.81 135.00 136.84 2jey n PRO 489 Ca -0.05 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.36 2jey n PRO 489 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2jey n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jey s ASN 490 N -2.84 7.64 -0.47 3.54 0.01 -1.26 -4.28 114.94 117.27 2jey s ASN 490 Ca 0.03 1.94 -0.27 0.00 -0.71 0.00 0.00 52.86 53.85 2jey s ASN 490 Cb 0.03 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 2jey s ASN 490 CO 0.08 0.15 2.15 -0.62 -1.51 0.00 0.00 177.10 177.36 2jey s ASP 491 N -1.12 4.98 0.15 -1.22 -1.08 -1.26 -4.82 116.67 112.29 2jey s ASP 491 Ca 0.41 0.99 0.18 0.00 -0.52 0.00 0.00 52.55 53.61 2jey s ASP 491 Cb -0.26 -2.51 0.78 0.00 -1.46 0.00 0.00 42.92 39.47 2jey s ASP 491 CO 0.32 -2.48 1.55 -0.81 0.52 0.00 0.00 175.17 174.27 2jey n PRO 492 N 8.96 0.10 -3.74 4.34 -0.04 -1.26 -2.94 135.00 140.42 2jey n PRO 492 Ca 0.29 0.39 -0.23 0.00 -0.04 0.00 0.00 63.50 63.92 2jey n PRO 492 Cb 0.52 -1.72 -0.18 0.00 -0.04 0.00 0.00 33.50 32.09 2jey n PRO 492 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2jey s ARG 493 N -3.20 0.47 0.00 0.54 1.04 -1.26 -5.05 118.95 111.49 2jey s ARG 493 Ca 0.04 0.10 0.00 0.00 -1.04 0.00 0.00 55.73 54.83 2jey s ARG 493 Cb 0.08 -1.03 0.00 0.00 -2.04 0.00 0.00 34.95 31.96 2jey s ARG 493 CO 0.29 -0.35 0.00 -3.47 -0.04 0.00 0.00 175.30 171.73 2jey n ASP 494 N 5.17 0.00 -0.01 -2.89 4.64 -1.15 -5.10 116.55 117.22 2jey n ASP 494 Ca -0.07 0.00 -0.19 0.00 -1.38 0.00 0.00 54.79 53.15 2jey n ASP 494 Cb 0.50 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.44 2jey n ASP 494 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2jey n SER 495 N 0.00 1.93 -4.55 1.67 2.88 -1.26 -4.77 113.62 109.52 2jey n SER 495 Ca 0.00 0.21 -0.28 0.00 -1.33 0.00 0.00 58.87 57.47 2jey n SER 495 Cb 0.00 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 62.69 2jey n SER 495 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jey n LYS 496 N -3.40 0.79 0.00 -1.46 0.00 -1.26 -4.84 118.16 107.99 2jey n LYS 496 Ca -0.31 -0.28 0.00 0.00 0.00 0.00 0.00 58.31 57.72 2jey n LYS 496 Cb 1.05 -3.35 0.00 0.00 0.00 0.00 0.00 35.03 32.73 2jey n LYS 496 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jey n SER 497 N 16.26 0.00 -4.59 3.14 3.41 -1.26 -5.06 113.62 125.52 2jey n SER 497 Ca 0.43 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.75 2jey n SER 497 Cb 0.47 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.57 2jey n SER 497 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2jey s PRO 498 N 3.44 0.92 0.11 4.33 0.02 -1.26 -4.75 135.00 137.81 2jey s PRO 498 Ca 0.00 0.11 -0.19 0.00 0.02 0.00 0.00 61.00 60.94 2jey s PRO 498 Cb 0.00 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 2jey s PRO 498 CO 0.00 -2.31 0.59 -0.65 -0.33 0.00 0.00 177.00 174.30 2jey s GLN 499 N -5.44 4.18 -0.61 5.54 -1.52 -1.26 -4.84 119.66 115.72 2jey s GLN 499 Ca 0.66 0.72 -0.27 0.00 -1.95 0.00 0.00 55.36 54.52 2jey s GLN 499 Cb -0.12 -3.14 0.03 0.00 -0.22 0.00 0.00 33.01 29.56 2jey s GLN 499 CO 0.53 0.58 1.15 -0.46 -0.25 0.00 0.00 175.29 176.84 2jey s TRP 500 N -1.22 2.58 0.48 0.91 -0.11 -1.26 -4.91 118.94 115.42 2jey s TRP 500 Ca 0.32 0.22 -0.18 0.00 1.22 0.00 0.00 56.10 57.68 2jey s TRP 500 Cb -0.19 -4.45 -0.09 0.00 -1.50 0.00 0.00 33.47 27.25 2jey s TRP 500 CO 0.20 -1.63 0.97 -1.25 -4.62 0.00 0.00 176.95 170.62 2jey s PRO 501 N 4.88 4.04 0.31 5.86 0.04 -1.26 -4.88 135.00 143.99 2jey s PRO 501 Ca 0.38 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 2jey s PRO 501 Cb -0.09 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 2jey s PRO 501 CO 0.22 -0.20 1.51 -2.14 0.04 0.00 0.00 177.00 176.43 2jey s PRO 502 N -3.71 4.17 0.01 0.56 0.02 -1.26 -4.66 135.00 130.13 2jey s PRO 502 Ca 0.60 2.48 -0.30 0.00 0.02 0.00 0.00 61.00 63.80 2jey s PRO 502 Cb -0.10 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.32 2jey s PRO 502 CO 0.24 -0.52 1.68 -0.47 -0.33 0.00 0.00 177.00 177.60 2jey s TYR 503 N -0.38 2.12 0.36 6.54 6.14 0.44 -4.55 117.35 128.01 2jey s TYR 503 Ca 0.58 0.20 0.09 0.00 0.64 0.00 0.00 57.07 58.58 2jey s TYR 503 Cb -0.45 -3.96 -0.07 0.00 0.42 0.00 0.00 41.96 37.90 2jey s TYR 503 CO 0.51 -4.00 -0.07 0.95 0.64 0.00 0.00 175.55 173.59 2jey s THR 504 N 3.43 2.20 0.14 4.34 -4.23 -1.26 -4.31 115.64 115.94 2jey s THR 504 Ca 0.75 -2.15 0.11 0.00 -1.18 0.00 0.00 61.69 59.23 2jey s THR 504 Cb -0.37 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 2jey s THR 504 CO 0.32 -0.15 1.49 0.74 -0.54 0.00 0.00 174.62 176.48 2jey h THR 505 N 1.95 1.35 0.00 3.99 2.02 -1.92 0.16 112.91 120.47 2jey h THR 505 Ca -0.42 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.27 2jey h THR 505 Cb 1.25 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 2jey h THR 505 CO 0.73 0.68 0.00 0.00 0.37 0.00 0.00 175.52 177.29 2jey n ALA 506 N -2.35 -0.20 0.07 6.16 0.00 -1.26 -4.36 120.51 118.57 2jey n ALA 506 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2jey n ALA 506 Cb 0.73 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.21 2jey n ALA 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jey h ALA 507 N -2.00 0.61 -4.04 0.00 0.00 -1.96 -3.47 119.26 108.40 2jey h ALA 507 Ca 0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 54.91 53.90 2jey h ALA 507 Cb 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 17.77 2jey h ALA 507 CO 0.00 0.80 -0.56 1.04 0.00 0.00 0.00 179.25 180.53 2jey n GLN 508 N -3.79 -4.29 -2.66 0.00 6.02 0.56 -4.09 117.38 109.13 2jey n GLN 508 Ca -0.04 0.86 -0.37 0.00 -0.01 0.00 0.00 57.00 57.44 2jey n GLN 508 Cb 0.72 -5.58 -0.05 0.00 1.02 0.00 0.00 30.24 26.35 2jey n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jey s GLN 509 N -5.55 4.46 0.17 -1.09 -0.21 -1.26 0.24 119.66 116.41 2jey s GLN 509 Ca 0.25 1.45 -0.21 0.00 0.02 0.00 0.00 55.36 56.87 2jey s GLN 509 Cb -0.11 -2.77 0.06 0.00 1.00 0.00 0.00 33.01 31.18 2jey s GLN 509 CO 0.31 0.14 0.58 1.52 -2.12 0.00 0.00 175.29 175.72 2jey s TYR 510 N -1.56 -0.41 0.11 0.91 1.13 -0.39 -3.43 117.35 113.71 2jey s TYR 510 Ca 0.52 0.14 0.08 0.00 -1.41 0.00 0.00 57.07 56.40 2jey s TYR 510 Cb -0.22 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 2jey s TYR 510 CO 0.27 -0.89 -0.14 0.14 -2.51 0.00 0.00 175.55 172.43 2jey s VAL 511 N -3.79 3.11 -0.18 -3.49 -7.23 -0.53 -0.04 120.40 108.25 2jey s VAL 511 Ca 0.03 -1.38 -0.25 0.00 -1.81 0.00 0.00 61.98 58.57 2jey s VAL 511 Cb -0.01 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 2jey s VAL 511 CO -0.09 0.11 0.82 -0.94 -0.31 0.00 0.00 175.10 174.69 2jey s SER 512 N -2.17 6.93 -0.41 4.85 1.04 -0.79 -0.24 113.70 122.91 2jey s SER 512 Ca 0.20 1.15 -0.21 0.00 0.48 0.00 0.00 55.95 57.56 2jey s SER 512 Cb -0.11 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.58 2jey s SER 512 CO 0.12 -0.40 0.67 -0.76 0.98 0.00 0.00 173.24 173.84 2jey s LEU 513 N 2.19 4.38 0.00 2.42 1.43 0.80 -4.09 118.68 125.80 2jey s LEU 513 Ca 0.38 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2jey s LEU 513 Cb -0.16 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2jey s LEU 513 CO 0.12 -0.74 0.03 -0.46 0.23 0.00 0.00 176.35 175.53 2jey n ASN 514 N 6.27 -0.09 0.16 2.29 0.23 -1.26 0.10 115.26 122.97 2jey n ASN 514 Ca -0.01 -1.10 0.03 0.00 -0.53 0.00 0.00 54.58 52.98 2jey n ASN 514 Cb 0.48 0.16 0.22 0.00 -2.08 0.00 0.00 39.78 38.56 2jey n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jey h LEU 515 N 0.00 0.00-10.21 -4.53 3.38 -1.94 -3.43 115.31 98.58 2jey h LEU 515 Ca -0.02 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.48 2jey h LEU 515 Cb 0.06 0.00 0.20 0.00 0.09 0.00 0.00 40.66 41.01 2jey h LEU 515 CO 0.02 0.48 0.11 -0.54 0.09 0.00 0.00 178.44 178.60 2jey s LYS 516 N -3.41 -0.04 1.12 1.13 1.02 -1.26 -5.00 119.74 113.31 2jey s LYS 516 Ca 0.01 1.07 -0.13 0.00 0.02 0.00 0.00 55.97 56.94 2jey s LYS 516 Cb 0.10 -1.64 0.26 0.00 -0.52 0.00 0.00 37.83 36.03 2jey s LYS 516 CO 0.72 -3.20 1.04 -2.14 -0.92 0.00 0.00 175.35 170.86 2jey s PRO 517 N -4.58 -0.59 0.28 -1.68 0.02 -1.26 -4.90 135.00 122.29 2jey s PRO 517 Ca 0.67 0.81 -0.30 0.00 0.02 0.00 0.00 61.00 62.20 2jey s PRO 517 Cb -0.23 -1.59 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 2jey s PRO 517 CO 0.61 -3.50 1.61 -0.51 -0.33 0.00 0.00 177.00 174.88 2jey s LEU 518 N -7.05 4.35 -0.07 -5.54 1.02 -1.26 -4.87 118.68 105.26 2jey s LEU 518 Ca 0.68 2.93 0.05 0.00 0.02 0.00 0.00 54.13 57.80 2jey s LEU 518 Cb -0.24 -3.63 -0.01 0.00 0.02 0.00 0.00 46.19 42.33 2jey s LEU 518 CO 0.63 -0.92 -0.22 -0.70 0.02 0.00 0.00 176.35 175.16 2jey s GLU 519 N -0.26 2.67 -0.36 1.70 2.12 -1.26 -4.46 118.70 118.86 2jey s GLU 519 Ca 0.65 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.93 2jey s GLU 519 Cb -0.48 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.66 2jey s GLU 519 CO 0.45 0.38 0.59 0.08 -0.54 0.00 0.00 175.26 176.23 2jey s VAL 520 N -0.16 4.93 0.40 3.70 1.01 -1.26 -1.89 120.40 127.13 2jey s VAL 520 Ca -0.03 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2jey s VAL 520 Cb -0.14 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2jey s VAL 520 CO 0.04 -0.30 0.58 -0.13 0.00 0.00 0.00 175.10 175.29 2jey s ARG 521 N 2.60 3.10 -0.04 2.72 0.52 0.94 -4.90 118.95 123.89 2jey s ARG 521 Ca 0.22 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.79 2jey s ARG 521 Cb -0.15 -2.67 -0.01 0.00 0.52 0.00 0.00 34.95 32.64 2jey s ARG 521 CO 0.14 -0.11 -0.21 1.03 0.02 0.00 0.00 175.30 176.17 2jey s ARG 522 N -4.39 2.09 0.00 3.54 0.52 -1.26 -1.26 118.95 118.19 2jey s ARG 522 Ca 0.46 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2jey s ARG 522 Cb -0.10 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.55 2jey s ARG 522 CO 0.35 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.42 2jey n GLY 523 N 2.95 -2.20 3.47 -3.53 0.00 0.14 -4.89 105.19 101.12 2jey n GLY 523 Ca -0.17 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 2jey n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jey s LEU 524 N 0.00 4.50 -1.43 0.99 2.96 -1.26 -4.04 118.68 120.40 2jey s LEU 524 Ca 0.00 -1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 52.38 2jey s LEU 524 Cb 0.00 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.26 2jey s LEU 524 CO 0.00 -1.31 0.11 0.54 -1.32 0.00 0.00 176.35 174.37 2jey n ARG 525 N 7.45 -0.82 -0.12 1.98 1.74 -1.26 -4.72 116.66 120.91 2jey n ARG 525 Ca 0.13 0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 57.24 2jey n ARG 525 Cb 0.48 -3.23 0.02 0.00 -1.02 0.00 0.00 32.46 28.71 2jey n ARG 525 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jey h ALA 526 N 1.00 0.19 -0.12 7.54 0.00 -1.91 0.38 119.26 126.34 2jey h ALA 526 Ca -0.64 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2jey h ALA 526 Cb 1.34 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 2jey h ALA 526 CO 0.65 -0.50 0.02 1.96 0.00 0.00 0.00 179.25 181.38 2jey h GLN 527 N -0.06 0.20 -0.43 0.00 1.08 -1.95 0.18 115.11 114.12 2jey h GLN 527 Ca 0.20 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.24 2jey h GLN 527 Cb 0.37 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 2jey h GLN 527 CO -0.46 0.38 -0.17 1.15 -0.95 0.00 0.00 178.83 178.77 2jey h THR 528 N -0.02 1.27 0.00 -0.54 2.02 -1.81 -1.94 112.91 111.89 2jey h THR 528 Ca 0.04 -1.28 -0.15 0.00 0.77 0.00 0.00 66.41 65.78 2jey h THR 528 Cb 0.27 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2jey h THR 528 CO 0.00 0.44 -0.74 0.00 0.37 0.00 0.00 175.52 175.59 2jey h ALA 530 N 1.26 -0.51 -0.49 0.00 0.00 -0.28 1.29 119.26 120.53 2jey h ALA 530 Ca -0.01 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2jey h ALA 530 Cb 1.31 0.74 -0.10 0.00 0.00 0.00 0.00 17.79 19.74 2jey h ALA 530 CO 0.10 -0.88 -0.27 0.35 0.00 0.00 0.00 179.25 178.55 2jey h PHE 531 N -0.45 -0.71 -0.23 0.00 3.57 -0.56 0.18 116.94 118.74 2jey h PHE 531 Ca 0.09 0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.46 2jey h PHE 531 Cb 0.60 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 2jey h PHE 531 CO -0.47 -0.34 -0.60 -1.49 -2.23 0.00 0.00 178.31 173.18 2jey h TRP 532 N -0.16 0.95 0.00 0.41 4.06 -0.32 0.21 115.95 121.10 2jey h TRP 532 Ca 0.22 -0.36 0.00 0.00 2.06 0.00 0.00 58.89 60.81 2jey h TRP 532 Cb 0.51 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 2jey h TRP 532 CO -0.54 1.16 -1.51 0.09 -3.56 0.00 0.00 178.44 174.08 2jey n ASN 533 N -3.97 0.42 -0.03 -3.49 3.02 0.44 -4.22 115.26 107.43 2jey n ASN 533 Ca -0.04 -0.30 -0.07 0.00 -0.03 0.00 0.00 54.58 54.13 2jey n ASN 533 Cb 0.65 1.44 -0.02 0.00 -0.61 0.00 0.00 39.78 41.24 2jey n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jey n ARG 534 N -2.02 0.16 -0.04 3.52 1.74 0.61 -4.71 116.66 115.91 2jey n ARG 534 Ca -0.01 0.07 -0.20 0.00 -0.77 0.00 0.00 57.85 56.94 2jey n ARG 534 Cb 0.48 -0.77 -0.13 0.00 -1.02 0.00 0.00 32.46 31.02 2jey n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jey h PHE 535 N -0.27 0.20 -0.28 -1.55 3.57 -1.12 -3.21 116.94 114.29 2jey h PHE 535 Ca -0.16 -0.15 0.07 0.00 3.53 0.00 0.00 57.97 61.25 2jey h PHE 535 Cb 1.04 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 2jey h PHE 535 CO -0.04 1.40 -0.27 -0.07 -2.23 0.00 0.00 178.31 177.10 2jey h LEU 536 N -0.68 -0.89 -0.51 0.59 -0.00 -0.79 0.26 115.31 113.29 2jey h LEU 536 Ca -0.25 0.16 0.10 0.00 -0.00 0.00 0.00 57.88 57.89 2jey h LEU 536 Cb 1.44 0.41 -0.10 0.00 -0.00 0.00 0.00 40.66 42.42 2jey h LEU 536 CO -0.04 -0.30 -0.17 -0.65 -0.00 0.00 0.00 178.44 177.28 2jey h PRO 537 N -0.27 -0.05 -0.86 1.13 0.11 -1.73 -0.94 132.00 129.40 2jey h PRO 537 Ca 0.15 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.37 2jey h PRO 537 Cb 0.50 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.54 2jey h PRO 537 CO -0.43 -0.03 0.50 0.87 -0.21 0.00 0.00 178.00 178.69 2jey h LYS 538 N -0.05 0.78 0.74 1.05 1.79 -1.08 0.49 116.57 120.30 2jey h LYS 538 Ca 0.25 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.63 2jey h LYS 538 Cb 0.42 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2jey h LYS 538 CO -0.55 0.52 -0.36 1.25 -1.08 0.00 0.00 179.45 179.23 2jey h LEU 539 N 0.81 -0.84 -0.61 2.94 5.85 0.76 -2.38 115.31 121.83 2jey h LEU 539 Ca 0.43 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.20 2jey h LEU 539 Cb 0.43 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 2jey h LEU 539 CO -0.27 -0.59 0.38 -0.07 -0.34 0.00 0.00 178.44 177.55 2jey h LEU 540 N -1.03 0.61 0.00 2.25 3.38 -1.27 -0.55 115.31 118.71 2jey h LEU 540 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jey h LEU 540 Cb 0.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jey h LEU 540 CO 0.17 0.43 0.00 -0.24 0.09 0.00 0.00 178.44 178.89 2jey n SER 541 N -4.73 0.00 0.00 -0.43 2.88 0.17 -4.12 113.62 107.39 2jey n SER 541 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2jey n SER 541 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2jey n SER 541 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jey n ALA 542 N -0.78 0.00 -1.10 -1.46 0.00 -0.47 -4.98 120.51 111.71 2jey n ALA 542 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jey n ALA 542 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jey n ALA 542 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jey n THR 543 N 0.00 -5.07 0.00 0.00 -2.24 -0.34 -5.05 114.28 101.58 2jey n THR 543 Ca 0.00 1.55 0.00 0.00 -2.27 0.00 0.00 64.05 63.33 2jey n THR 543 Cb 0.00 -2.83 0.00 0.00 -2.10 0.00 0.00 70.33 65.40 2jey n THR 543 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50