#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gej s PRO 6 N 0.00 3.18 0.26 0.00 0.04 -1.26 -4.28 135.00 132.94 1gej s PRO 6 Ca 0.00 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1gej s PRO 6 Cb 0.00 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1gej s PRO 6 CO 0.00 -0.92 1.22 -1.12 0.04 0.00 0.00 177.00 176.22 1gej s SER 7 N -2.94 7.00 0.03 6.66 0.01 -1.26 -0.01 113.70 123.19 1gej s SER 7 Ca 0.63 2.43 0.02 0.00 1.31 0.00 0.00 55.95 60.34 1gej s SER 7 Cb -0.16 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 1gej s SER 7 CO 0.41 -0.38 -0.07 0.12 0.41 0.00 0.00 173.24 173.72 1gej s PHE 8 N -0.72 0.62 0.71 2.43 5.36 0.00 -4.32 117.98 122.07 1gej s PHE 8 Ca 0.50 -0.36 -0.16 0.00 -0.96 0.00 0.00 56.93 55.94 1gej s PHE 8 Cb -0.35 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.97 1gej s PHE 8 CO 0.44 -0.06 1.25 -2.30 -1.46 0.00 0.00 175.22 173.09 1gej n PRO 9 N 1.96 0.76 -2.31 10.12 -0.02 -1.26 -4.27 135.00 139.98 1gej n PRO 9 Ca -0.19 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 1gej n PRO 9 Cb 0.56 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1gej n PRO 9 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1gej s PHE 10 N -1.66 3.32 -0.04 6.00 0.08 -1.26 -5.08 117.98 119.34 1gej s PHE 10 Ca 0.79 0.76 -0.08 0.00 0.12 0.00 0.00 56.93 58.53 1gej s PHE 10 Cb -0.35 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.31 1gej s PHE 10 CO 0.44 -0.81 0.24 -1.12 -0.10 0.00 0.00 175.22 173.87 1gej s SER 11 N -4.29 6.50 0.46 1.36 0.01 -1.26 -4.79 113.70 111.69 1gej s SER 11 Ca 0.54 0.58 -0.25 0.00 1.31 0.00 0.00 55.95 58.13 1gej s SER 11 Cb -0.11 -2.10 -0.08 0.00 0.21 0.00 0.00 66.02 63.94 1gej s SER 11 CO 0.47 0.31 1.33 0.54 0.41 0.00 0.00 173.24 176.30 1gej n ARG 12 N 1.48 1.97 0.27 12.44 1.74 0.05 -4.17 116.66 130.45 1gej n ARG 12 Ca -0.14 0.71 0.12 0.00 -0.77 0.00 0.00 57.85 57.76 1gej n ARG 12 Cb 0.53 -2.49 0.78 0.00 -1.02 0.00 0.00 32.46 30.26 1gej n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gej h ALA 13 N 2.00 1.55 -2.14 7.54 0.00 -1.35 -3.46 119.26 123.41 1gej h ALA 13 Ca -0.49 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 54.60 1gej h ALA 13 Cb 1.29 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1gej h ALA 13 CO 0.59 0.07 0.65 -1.54 0.00 0.00 0.00 179.25 179.03 1gej s SER 14 N -6.39 -0.07 0.08 0.00 1.04 -1.26 -4.98 113.70 102.12 1gej s SER 14 Ca -0.04 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 1gej s SER 14 Cb 0.15 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1gej s SER 14 CO 0.59 -0.70 1.04 0.61 0.98 0.00 0.00 173.24 175.75 1gej n GLY 15 N -0.59 -2.08 0.86 7.32 0.00 -1.26 -1.46 105.19 107.98 1gej n GLY 15 Ca -0.05 0.76 0.10 0.00 0.00 0.00 0.00 46.02 46.83 1gej n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gej n PRO 16 N -4.28 2.11 -4.07 1.61 -0.04 -1.26 -4.73 135.00 124.34 1gej n PRO 16 Ca 0.01 -1.70 -0.27 0.00 -0.04 0.00 0.00 63.50 61.50 1gej n PRO 16 Cb 0.14 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 1gej n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1gej s GLU 17 N -1.56 2.90 0.83 0.54 2.02 -0.53 -5.02 118.70 117.88 1gej s GLU 17 Ca 0.35 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 1gej s GLU 17 Cb 0.19 -2.67 0.09 0.00 0.10 0.00 0.00 34.13 31.84 1gej s GLU 17 CO 0.27 0.51 1.18 -1.25 0.02 0.00 0.00 175.26 175.98 1gej s PRO 18 N -2.91 1.82 0.45 0.39 0.05 -1.26 -3.54 135.00 129.99 1gej s PRO 18 Ca 0.30 0.12 -0.25 0.00 0.05 0.00 0.00 61.00 61.22 1gej s PRO 18 Cb -0.11 -1.93 -0.09 0.00 0.05 0.00 0.00 34.50 32.42 1gej s PRO 18 CO 0.23 -1.70 1.35 -2.30 0.05 0.00 0.00 177.00 174.62 1gej n PRO 19 N -3.39 2.05 0.25 0.56 -0.02 -1.26 -1.62 135.00 131.57 1gej n PRO 19 Ca 0.08 0.73 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 1gej n PRO 19 Cb 0.61 -2.50 0.60 0.00 -0.02 0.00 0.00 33.50 32.19 1gej n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gej h ALA 20 N 2.11 1.08 -0.92 3.55 0.00 -1.90 -3.25 119.26 119.94 1gej h ALA 20 Ca -0.49 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.33 1gej h ALA 20 Cb 1.28 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1gej h ALA 20 CO 0.60 0.18 0.59 0.93 0.00 0.00 0.00 179.25 181.55 1gej h GLU 21 N 0.00 1.09 -0.44 0.00 3.07 -1.90 -3.26 114.58 113.13 1gej h GLU 21 Ca -0.00 -0.07 0.07 0.00 -0.50 0.00 0.00 59.36 58.87 1gej h GLU 21 Cb 0.57 -0.25 -0.06 0.00 -0.84 0.00 0.00 28.75 28.17 1gej h GLU 21 CO 0.02 0.72 0.08 0.74 -1.40 0.00 0.00 179.01 179.17 1gej h PHE 22 N 1.12 0.13 -0.85 4.33 0.05 -1.96 -0.92 116.94 118.84 1gej h PHE 22 Ca 0.38 0.03 0.00 0.00 3.82 0.00 0.00 57.97 62.20 1gej h PHE 22 Cb 0.06 0.01 -0.04 0.00 2.00 0.00 0.00 35.95 37.97 1gej h PHE 22 CO -0.02 -0.00 0.54 0.00 -0.18 0.00 0.00 178.31 178.66 1gej h ALA 23 N 1.34 1.08 -0.67 2.45 0.00 -1.80 0.62 119.26 122.28 1gej h ALA 23 Ca 0.22 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1gej h ALA 23 Cb 0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1gej h ALA 23 CO -0.29 0.51 0.10 0.87 0.00 0.00 0.00 179.25 180.44 1gej h LYS 24 N 1.16 1.11 -0.36 0.00 1.57 -1.54 -2.59 116.57 115.92 1gej h LYS 24 Ca 0.31 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1gej h LYS 24 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1gej h LYS 24 CO -0.06 1.02 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.56 1gej h LEU 25 N 1.04 0.81 -1.55 2.94 3.38 -0.68 -1.06 115.31 120.19 1gej h LEU 25 Ca 0.20 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1gej h LEU 25 Cb 0.46 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1gej h LEU 25 CO 0.02 1.05 0.35 0.03 0.09 0.00 0.00 178.44 179.98 1gej h ARG 26 N 0.57 0.57 0.12 1.13 3.08 -0.75 0.31 114.38 119.40 1gej h ARG 26 Ca 0.08 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 59.80 1gej h ARG 26 Cb 0.77 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1gej h ARG 26 CO 0.06 0.38 -1.42 0.00 -1.07 0.00 0.00 179.97 177.91 1gej h ALA 27 N 1.70 0.21 0.00 0.04 0.00 -1.23 -3.40 119.26 116.58 1gej h ALA 27 Ca 0.21 -1.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 1gej h ALA 27 Cb 0.11 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1gej h ALA 27 CO -0.05 1.08 -1.03 0.25 0.00 0.00 0.00 179.25 179.49 1gej n THR 28 N -3.48 0.00 -2.77 0.00 -2.24 -0.42 -4.92 114.28 100.45 1gej n THR 28 Ca -0.13 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1gej n THR 28 Cb 1.04 0.44 0.04 0.00 -2.10 0.00 0.00 70.33 69.75 1gej n THR 28 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1gej n ASN 29 N -1.54 -2.75 0.11 3.42 5.15 0.76 -5.03 115.26 115.38 1gej n ASN 29 Ca -0.00 -3.29 0.17 0.00 -0.60 0.00 0.00 54.58 50.86 1gej n ASN 29 Cb 0.03 1.72 0.72 0.00 -0.53 0.00 0.00 39.78 41.73 1gej n ASN 29 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1gej h PRO 30 N 3.99 0.00 -4.39 1.20 0.13 -0.82 -3.36 132.00 128.75 1gej h PRO 30 Ca -0.14 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.37 1gej h PRO 30 Cb 1.02 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.77 1gej h PRO 30 CO 0.33 0.00 -0.78 0.08 -0.23 0.00 0.00 178.00 177.40 1gej s VAL 31 N -4.90 1.61 0.13 1.56 1.01 -1.26 -2.00 120.40 116.54 1gej s VAL 31 Ca -0.05 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 1gej s VAL 31 Cb 0.18 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1gej s VAL 31 CO 0.66 -0.15 0.10 -0.94 0.00 0.00 0.00 175.10 174.76 1gej s SER 32 N 1.34 0.27 0.02 3.32 1.04 -0.91 -4.92 113.70 113.87 1gej s SER 32 Ca -0.04 -1.10 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 1gej s SER 32 Cb -0.19 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 1gej s SER 32 CO -0.07 -0.75 0.43 -1.10 0.98 0.00 0.00 173.24 172.73 1gej s GLN 33 N -4.01 3.93 0.22 4.02 -0.21 -1.26 0.11 119.66 122.46 1gej s GLN 33 Ca 0.20 0.43 0.09 0.00 0.02 0.00 0.00 55.36 56.10 1gej s GLN 33 Cb 0.07 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.84 1gej s GLN 33 CO -0.00 0.66 -0.16 0.14 -2.12 0.00 0.00 175.29 173.81 1gej s VAL 34 N -1.13 1.93 -0.21 1.09 -7.23 0.11 -4.35 120.40 110.60 1gej s VAL 34 Ca 0.26 -2.23 -0.09 0.00 -1.81 0.00 0.00 61.98 58.11 1gej s VAL 34 Cb -0.17 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1gej s VAL 34 CO 0.15 -0.52 0.11 -0.75 -0.31 0.00 0.00 175.10 173.78 1gej s LYS 35 N -3.52 4.03 0.65 4.82 2.20 0.98 -1.26 119.74 127.64 1gej s LYS 35 Ca 0.24 -0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 55.50 1gej s LYS 35 Cb -0.02 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1gej s LYS 35 CO 0.09 0.17 0.94 -0.51 -0.36 0.00 0.00 175.35 175.68 1gej s LEU 36 N 0.71 3.00 0.47 5.43 1.43 0.84 -0.82 118.68 129.74 1gej s LEU 36 Ca 0.06 0.41 0.24 0.00 -1.03 0.00 0.00 54.13 53.80 1gej s LEU 36 Cb -0.13 -3.14 1.27 0.00 0.03 0.00 0.00 46.19 44.22 1gej s LEU 36 CO 0.02 -1.39 1.87 2.19 0.23 0.00 0.00 176.35 179.26 1gej h PHE 37 N -0.37 0.30 -0.15 0.29 -5.15 -1.80 0.42 116.94 110.48 1gej h PHE 37 Ca -0.44 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 1gej h PHE 37 Cb 1.30 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1gej h PHE 37 CO 0.37 0.07 0.00 -0.40 -2.00 0.00 0.00 178.31 176.35 1gej n ASP 38 N -4.41 1.39 0.00 -0.68 3.85 -1.26 -4.90 116.55 110.55 1gej n ASP 38 Ca 0.19 -1.69 0.00 0.00 -0.71 0.00 0.00 54.79 52.58 1gej n ASP 38 Cb 0.81 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.49 1gej n ASP 38 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1gej n GLY 39 N 1.06 1.27 3.79 6.12 0.00 0.14 -5.05 105.19 112.53 1gej n GLY 39 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1gej n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gej s SER 40 N -2.63 4.90 0.22 1.61 1.04 -1.26 -4.69 113.70 112.90 1gej s SER 40 Ca 0.00 1.73 0.06 0.00 0.48 0.00 0.00 55.95 58.23 1gej s SER 40 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1gej s SER 40 CO 0.00 -1.77 0.16 -0.76 0.98 0.00 0.00 173.24 171.85 1gej s LEU 41 N -5.74 3.76 0.07 2.42 1.43 -1.26 -0.11 118.68 119.25 1gej s LEU 41 Ca 0.60 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 1gej s LEU 41 Cb -0.16 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.77 1gej s LEU 41 CO 0.55 0.01 0.37 0.00 0.23 0.00 0.00 176.35 177.51 1gej s ALA 42 N -2.00 -0.87 -0.11 4.21 0.00 -0.39 -4.52 121.76 118.09 1gej s ALA 42 Ca 0.32 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 1gej s ALA 42 Cb -0.09 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1gej s ALA 42 CO 0.24 -0.51 0.52 -1.58 0.00 0.00 0.00 175.76 174.43 1gej s TRP 43 N -2.98 3.53 -0.23 0.00 0.52 0.45 0.04 118.94 120.27 1gej s TRP 43 Ca -0.02 0.96 -0.06 0.00 0.02 0.00 0.00 56.10 57.00 1gej s TRP 43 Cb 0.00 -2.60 -0.02 0.00 -1.15 0.00 0.00 33.47 29.70 1gej s TRP 43 CO -0.06 0.16 0.04 -1.17 0.02 0.00 0.00 176.95 175.94 1gej s LEU 44 N 0.64 3.33 -0.19 2.99 2.96 0.29 0.20 118.68 128.91 1gej s LEU 44 Ca 0.28 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1gej s LEU 44 Cb -0.16 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1gej s LEU 44 CO 0.12 -0.01 0.06 -0.69 -1.32 0.00 0.00 176.35 174.51 1gej s VAL 45 N 1.45 4.74 -0.05 1.68 1.01 -0.01 -2.13 120.40 127.09 1gej s VAL 45 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1gej s VAL 45 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1gej s VAL 45 CO 0.02 0.45 0.07 0.35 0.00 0.00 0.00 175.10 175.98 1gej n THR 46 N 3.68 0.00 -3.53 3.92 -2.24 -0.85 -1.39 114.28 113.88 1gej n THR 46 Ca -0.16 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 1gej n THR 46 Cb 0.52 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1gej n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1gej s LYS 47 N -1.66 3.84 0.19 -0.78 1.02 -1.26 -3.30 119.74 117.79 1gej s LYS 47 Ca 0.00 0.30 -0.18 0.00 0.02 0.00 0.00 55.97 56.11 1gej s LYS 47 Cb 0.01 -3.08 0.15 0.00 -0.52 0.00 0.00 37.83 34.39 1gej s LYS 47 CO 0.09 0.61 1.61 1.25 -0.92 0.00 0.00 175.35 177.98 1gej h HIS 48 N 4.11 -0.66 -0.82 3.18 -0.00 -1.87 0.49 115.15 119.57 1gej h HIS 48 Ca -0.50 0.06 0.05 0.00 -0.00 0.00 0.00 60.37 59.98 1gej h HIS 48 Cb 1.20 0.37 -0.06 0.00 -0.00 0.00 0.00 27.41 28.93 1gej h HIS 48 CO 0.68 -0.33 0.51 1.57 -0.00 0.00 0.00 177.93 180.35 1gej h LYS 49 N -0.12 0.91 -0.21 5.26 2.10 -1.95 -0.91 116.57 121.65 1gej h LYS 49 Ca 0.24 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 58.68 1gej h LYS 49 Cb 0.51 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 1gej h LYS 49 CO -0.62 0.60 -0.52 -0.44 -2.00 0.00 0.00 179.45 176.47 1gej h ASP 50 N 0.94 0.67 -0.65 7.07 3.32 -1.69 -1.85 116.42 124.23 1gej h ASP 50 Ca 0.35 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1gej h ASP 50 Cb 0.14 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1gej h ASP 50 CO -0.16 1.07 0.21 0.58 -1.72 0.00 0.00 179.24 179.22 1gej h VAL 51 N 0.47 1.25 -0.57 -1.35 2.07 -0.38 -0.30 116.25 117.44 1gej h VAL 51 Ca 0.02 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1gej h VAL 51 Cb 1.07 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1gej h VAL 51 CO 0.10 0.32 0.15 0.00 0.02 0.00 0.00 177.57 178.17 1gej h PHE 53 N 0.84 0.30 -0.79 0.00 3.57 -0.74 -2.58 116.94 117.55 1gej h PHE 53 Ca 0.19 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1gej h PHE 53 Cb 0.28 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1gej h PHE 53 CO 0.02 0.38 0.42 0.28 -2.23 0.00 0.00 178.31 177.18 1gej h VAL 54 N 0.14 1.23 0.00 1.41 2.07 -0.77 0.14 116.25 120.47 1gej h VAL 54 Ca 0.06 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1gej h VAL 54 Cb 0.22 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1gej h VAL 54 CO -0.00 0.27 -0.14 0.00 0.02 0.00 0.00 177.57 177.71 1gej h ALA 55 N 1.36 1.22 0.00 1.67 0.00 -0.90 -3.30 119.26 119.32 1gej h ALA 55 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1gej h ALA 55 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1gej h ALA 55 CO -0.04 0.18 -0.24 0.25 0.00 0.00 0.00 179.25 179.40 1gej n THR 56 N -3.58 0.00 -1.74 0.00 -2.24 -0.99 -4.56 114.28 101.17 1gej n THR 56 Ca -0.01 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1gej n THR 56 Cb 0.28 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 1gej n THR 56 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1gej s SER 57 N -1.38 6.45 0.00 3.42 0.15 0.00 -4.86 113.70 117.48 1gej s SER 57 Ca 0.01 2.71 0.20 0.00 0.70 0.00 0.00 55.95 59.57 1gej s SER 57 Cb 0.02 -2.56 0.94 0.00 -1.71 0.00 0.00 66.02 62.71 1gej s SER 57 CO 0.12 -0.99 1.63 -0.62 1.20 0.00 0.00 173.24 174.58 1gej n GLU 58 N 5.80 0.17 0.00 5.44 4.71 -1.26 -2.27 120.64 133.22 1gej n GLU 58 Ca 0.18 0.12 0.14 0.00 -0.01 0.00 0.00 57.16 57.59 1gej n GLU 58 Cb 0.39 -1.50 0.54 0.00 -1.01 0.00 0.00 31.44 29.85 1gej n GLU 58 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1gej n LYS 59 N -1.38 1.30 -4.21 3.49 5.02 -1.26 -4.86 118.16 116.26 1gej n LYS 59 Ca 0.08 -0.68 -0.29 0.00 -2.02 0.00 0.00 58.31 55.39 1gej n LYS 59 Cb 0.19 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 1gej n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gej s LEU 60 N -2.17 3.16 0.06 -0.35 1.43 -0.96 -0.09 118.68 119.75 1gej s LEU 60 Ca 0.35 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1gej s LEU 60 Cb 0.21 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 1gej s LEU 60 CO 0.40 0.16 -0.18 -0.55 0.23 0.00 0.00 176.35 176.41 1gej s SER 61 N -2.39 2.14 0.00 2.29 0.15 -0.15 -4.88 113.70 110.86 1gej s SER 61 Ca 0.23 -0.55 0.23 0.00 0.70 0.00 0.00 55.95 56.56 1gej s SER 61 Cb -0.11 -0.14 0.13 0.00 -1.71 0.00 0.00 66.02 64.20 1gej s SER 61 CO 0.15 0.07 1.16 0.29 1.20 0.00 0.00 173.24 176.12 1gej n LYS 62 N 1.61 0.74 -1.88 5.44 5.02 -1.26 -1.86 118.16 125.97 1gej n LYS 62 Ca -0.18 -0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 55.11 1gej n LYS 62 Cb 0.54 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1gej n LYS 62 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1gej s VAL 63 N -2.66 3.11 -1.33 -0.18 1.01 -1.25 -4.66 120.40 114.44 1gej s VAL 63 Ca 0.16 0.40 0.29 0.00 0.00 0.00 0.00 61.98 62.84 1gej s VAL 63 Cb 0.18 -3.26 0.44 0.00 0.00 0.00 0.00 36.38 33.74 1gej s VAL 63 CO 0.65 -0.02 1.98 0.54 0.00 0.00 0.00 175.10 178.25 1gej n ARG 64 N 6.32 0.31 0.00 2.72 1.74 -1.26 -3.10 116.66 123.40 1gej n ARG 64 Ca 0.17 0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.40 1gej n ARG 64 Cb 0.41 -1.50 0.52 0.00 -1.02 0.00 0.00 32.46 30.87 1gej n ARG 64 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1gej n THR 65 N -1.34 0.00 -2.80 0.55 -2.24 -1.26 -4.81 114.28 102.39 1gej n THR 65 Ca 0.12 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1gej n THR 65 Cb 0.25 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1gej n THR 65 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gej s ARG 66 N -2.26 4.45 0.32 -0.78 0.52 -1.18 -4.99 118.95 115.03 1gej s ARG 66 Ca 0.32 1.24 -0.29 0.00 -0.52 0.00 0.00 55.73 56.49 1gej s ARG 66 Cb 0.20 -3.50 -0.11 0.00 0.52 0.00 0.00 34.95 32.07 1gej s ARG 66 CO 0.43 -0.15 1.42 -1.14 0.02 0.00 0.00 175.30 175.88 1gej s GLN 67 N 1.45 4.24 0.00 3.54 0.74 -1.26 -2.19 119.66 126.18 1gej s GLN 67 Ca 0.46 2.38 0.00 0.00 0.05 0.00 0.00 55.36 58.25 1gej s GLN 67 Cb -0.19 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1gej s GLN 67 CO 0.21 -0.39 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1gej n GLY 68 N 1.18 2.25 3.70 2.59 0.00 -1.26 -4.70 105.19 108.95 1gej n GLY 68 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1gej n GLY 68 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gej n PHE 69 N -1.19 2.62 -2.00 1.61 7.35 -0.93 -2.76 117.46 122.17 1gej n PHE 69 Ca 0.00 0.07 -0.35 0.00 -0.76 0.00 0.00 57.45 56.41 1gej n PHE 69 Cb 0.00 -2.65 -0.04 0.00 0.35 0.00 0.00 39.48 37.14 1gej n PHE 69 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1gej n PRO 70 N 4.04 2.01 -2.61 -7.13 -0.04 -1.26 -4.96 135.00 125.05 1gej n PRO 70 Ca 0.17 -2.55 -0.42 0.00 -0.04 0.00 0.00 63.50 60.66 1gej n PRO 70 Cb 0.34 -3.52 -0.03 0.00 -0.04 0.00 0.00 33.50 30.25 1gej n PRO 70 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1gej s GLU 71 N 5.54 4.51 0.00 0.54 0.41 -1.26 -4.94 118.70 123.50 1gej s GLU 71 Ca 0.62 1.54 0.25 0.00 -0.41 0.00 0.00 54.97 56.97 1gej s GLU 71 Cb 0.04 -3.42 0.43 0.00 -1.78 0.00 0.00 34.13 29.39 1gej s GLU 71 CO 0.11 -0.13 1.36 1.28 -0.49 0.00 0.00 175.26 177.39 1gej n LEU 72 N 3.93 1.25 -3.95 1.80 4.77 -1.26 -4.72 117.00 118.82 1gej n LEU 72 Ca 0.07 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.56 1gej n LEU 72 Cb 0.49 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1gej n LEU 72 CO 0.53 0.24 0.03 -0.94 -1.33 0.00 0.00 177.39 175.92 1gej s SER 73 N -2.59 -0.01 0.16 -1.43 1.04 -1.26 -4.52 113.70 105.08 1gej s SER 73 Ca 0.20 -0.85 -0.15 0.00 0.48 0.00 0.00 55.95 55.62 1gej s SER 73 Cb 0.18 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.81 1gej s SER 73 CO 0.58 -0.94 1.79 0.00 0.98 0.00 0.00 173.24 175.65 1gej h ALA 74 N 2.47 0.59 -0.77 5.32 0.00 -1.99 -2.34 119.26 122.54 1gej h ALA 74 Ca -0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1gej h ALA 74 Cb 1.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1gej h ALA 74 CO 0.45 0.08 0.39 0.66 0.00 0.00 0.00 179.25 180.84 1gej h SER 75 N 0.62 0.97 -0.86 0.00 4.64 -2.00 -2.49 113.55 114.43 1gej h SER 75 Ca 0.17 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1gej h SER 75 Cb -0.01 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 61.78 1gej h SER 75 CO -0.03 0.80 0.55 1.23 -0.87 0.00 0.00 176.83 178.51 1gej h GLY 76 N 1.12 1.26 1.37 -0.77 0.00 -1.84 -1.27 103.07 102.93 1gej h GLY 76 Ca 0.27 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1gej h GLY 76 CO -0.04 0.34 0.12 1.70 0.00 0.00 0.00 176.54 178.66 1gej h LYS 77 N 1.06 0.79 -0.29 4.80 3.64 -1.00 -2.77 116.57 122.80 1gej h LYS 77 Ca 0.35 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1gej h LYS 77 Cb 0.03 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1gej h LYS 77 CO -0.13 0.72 -0.28 1.96 -2.27 0.00 0.00 179.45 179.45 1gej h GLN 78 N 0.76 0.71 0.00 1.90 4.20 -1.13 -3.10 115.11 118.45 1gej h GLN 78 Ca 0.17 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 1gej h GLN 78 Cb 0.29 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1gej h GLN 78 CO -0.00 0.98 -0.17 0.00 -0.67 0.00 0.00 178.83 178.97 1gej h ALA 79 N 0.71 1.40 0.00 3.87 0.00 -1.16 -2.60 119.26 121.48 1gej h ALA 79 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gej h ALA 79 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1gej h ALA 79 CO 0.07 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1gej n ALA 80 N -2.36 1.26 0.86 0.00 0.00 -1.05 -2.17 120.51 117.05 1gej n ALA 80 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1gej n ALA 80 Cb 0.26 -1.21 0.35 0.00 0.00 0.00 0.00 19.45 18.85 1gej n ALA 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gej n LYS 81 N -1.86 0.10 -1.96 0.00 4.76 -0.98 -4.71 118.16 113.50 1gej n LYS 81 Ca 0.01 0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 1gej n LYS 81 Cb 0.08 -1.58 0.02 0.00 -1.84 0.00 0.00 35.03 31.72 1gej n LYS 81 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gej s ALA 82 N -3.05 3.07 0.31 7.82 0.00 -0.92 -4.99 121.76 124.00 1gej s ALA 82 Ca 0.11 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1gej s ALA 82 Cb 0.16 -3.00 -0.12 0.00 0.00 0.00 0.00 23.12 20.17 1gej s ALA 82 CO 0.65 -0.80 1.55 1.17 0.00 0.00 0.00 175.76 178.33 1gej n LYS 83 N -2.78 2.65 -3.02 0.00 4.81 -1.26 -4.95 118.16 113.60 1gej n LYS 83 Ca 0.06 0.94 -0.31 0.00 -0.87 0.00 0.00 58.31 58.12 1gej n LYS 83 Cb 0.55 -2.70 -0.04 0.00 0.02 0.00 0.00 35.03 32.86 1gej n LYS 83 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1gej s PRO 84 N -0.93 3.87 0.49 1.64 0.04 -1.26 -5.10 135.00 133.75 1gej s PRO 84 Ca 0.61 0.52 0.07 0.00 0.04 0.00 0.00 61.00 62.25 1gej s PRO 84 Cb -0.50 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 31.63 1gej s PRO 84 CO 0.53 0.07 0.48 0.95 0.04 0.00 0.00 177.00 179.06 1gej s THR 85 N -2.17 2.20 0.65 1.26 -4.23 -1.26 -4.99 115.64 107.10 1gej s THR 85 Ca 0.52 -1.32 0.29 0.00 -1.18 0.00 0.00 61.69 60.01 1gej s THR 85 Cb -0.10 -2.52 0.31 0.00 1.34 0.00 0.00 72.50 71.53 1gej s THR 85 CO 0.25 0.00 1.91 2.19 -0.54 0.00 0.00 174.62 178.43 1gej h PHE 86 N 0.74 0.00 0.00 3.99 -5.15 -1.92 -1.10 116.94 113.50 1gej h PHE 86 Ca -0.37 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.37 1gej h PHE 86 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.45 1gej h PHE 86 CO 0.66 0.00 -0.15 -0.24 -2.00 0.00 0.00 178.31 176.58 1gej h VAL 87 N 0.00 0.97 -0.36 0.88 3.04 -1.94 -2.65 116.25 116.19 1gej h VAL 87 Ca 0.04 -0.53 -0.12 0.00 -1.01 0.00 0.00 66.70 65.09 1gej h VAL 87 Cb 0.76 1.30 -0.07 0.00 -2.01 0.00 0.00 31.29 31.27 1gej h VAL 87 CO -0.00 0.14 0.02 0.47 -1.01 0.00 0.00 177.57 177.19 1gej n ASP 88 N -4.17 3.32 -4.70 3.17 8.00 -0.42 -5.02 116.55 116.74 1gej n ASP 88 Ca -0.02 -3.38 -0.24 0.00 0.71 0.00 0.00 54.79 51.86 1gej n ASP 88 Cb 0.22 -0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.65 1gej n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1gej s MET 89 N -3.04 2.50 0.37 -1.24 -1.94 -1.00 -3.84 119.30 111.11 1gej s MET 89 Ca 0.45 -1.22 0.08 0.00 -1.71 0.00 0.00 55.69 53.28 1gej s MET 89 Cb 0.38 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1gej s MET 89 CO 0.05 0.40 0.20 -0.51 -0.01 0.00 0.00 175.02 175.16 1gej s ASP 90 N -3.49 4.71 0.59 3.03 -0.00 -1.26 -4.63 116.67 115.61 1gej s ASP 90 Ca 0.31 -0.84 -0.18 0.00 -0.00 0.00 0.00 52.55 51.83 1gej s ASP 90 Cb -0.08 -0.64 -0.03 0.00 -0.00 0.00 0.00 42.92 42.17 1gej s ASP 90 CO 0.21 -0.44 1.17 -2.84 -0.00 0.00 0.00 175.17 173.27 1gej s PRO 91 N -3.92 3.02 0.00 8.23 0.02 -1.26 -1.18 135.00 139.91 1gej s PRO 91 Ca 0.41 1.70 0.26 0.00 0.02 0.00 0.00 61.00 63.39 1gej s PRO 91 Cb -0.01 -1.95 0.75 0.00 0.02 0.00 0.00 34.50 33.31 1gej s PRO 91 CO 0.24 -1.14 1.57 -0.35 -0.33 0.00 0.00 177.00 176.99 1gej n PRO 92 N -1.68 1.06 -0.33 5.54 -0.04 -1.26 -4.82 135.00 133.48 1gej n PRO 92 Ca 0.13 -0.65 -0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1gej n PRO 92 Cb 0.50 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.61 1gej n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gej h GLU 93 N 1.58 1.06 -0.02 0.54 3.07 -1.83 -2.55 114.58 116.44 1gej h GLU 93 Ca 0.00 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1gej h GLU 93 Cb 0.53 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1gej h GLU 93 CO 0.00 0.70 -0.24 1.25 -1.40 0.00 0.00 179.01 179.32 1gej h HIS 94 N 1.09 -0.71 0.00 4.33 2.76 -1.41 -2.04 115.15 119.18 1gej h HIS 94 Ca 0.37 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.49 1gej h HIS 94 Cb 0.06 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1gej h HIS 94 CO -0.02 -0.25 -0.33 0.52 -1.30 0.00 0.00 177.93 176.55 1gej h MET 95 N -0.29 0.00 -0.75 5.26 2.86 -1.85 -0.03 114.93 120.12 1gej h MET 95 Ca 0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1gej h MET 95 Cb 0.32 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1gej h MET 95 CO -0.17 0.33 0.44 1.25 1.06 0.00 0.00 176.91 179.82 1gej h HIS 96 N 0.00 0.80 0.11 -0.22 6.17 -1.08 0.26 115.15 121.20 1gej h HIS 96 Ca -0.00 0.03 -0.26 0.00 0.71 0.00 0.00 60.37 60.85 1gej h HIS 96 Cb 0.65 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 1gej h HIS 96 CO 0.00 0.38 -1.30 0.37 0.71 0.00 0.00 177.93 178.09 1gej h GLN 97 N 0.79 0.24 -0.77 5.26 4.15 -1.07 -3.37 115.11 120.33 1gej h GLN 97 Ca 0.34 -0.41 0.05 0.00 0.77 0.00 0.00 58.65 59.41 1gej h GLN 97 Cb 0.22 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 1gej h GLN 97 CO -0.19 1.20 0.47 -0.09 -1.93 0.00 0.00 178.83 178.28 1gej h ARG 98 N -0.35 0.85 0.00 1.69 2.43 -0.89 -0.52 114.38 117.59 1gej h ARG 98 Ca -0.28 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1gej h ARG 98 Cb 1.72 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1gej h ARG 98 CO 0.06 0.56 0.00 0.66 -1.51 0.00 0.00 179.97 179.74 1gej h SER 99 N 0.87 0.00 0.57 -3.80 4.64 -1.12 -1.09 113.55 113.62 1gej h SER 99 Ca 0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1gej h SER 99 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1gej h SER 99 CO -0.16 0.00 -0.31 0.24 -0.87 0.00 0.00 176.83 175.73 1gej h MET 100 N 0.00 0.00 0.00 4.77 2.86 -1.24 -3.31 114.93 118.01 1gej h MET 100 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gej h MET 100 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1gej h MET 100 CO 0.00 0.31 0.00 1.33 1.06 0.00 0.00 176.91 179.61 1gej n VAL 101 N -3.74 0.00 -0.15 -2.22 0.24 -0.51 -4.79 118.33 107.16 1gej n VAL 101 Ca -0.01 -0.44 0.05 0.00 -2.04 0.00 0.00 64.34 61.89 1gej n VAL 101 Cb 0.40 1.06 0.35 0.00 -1.47 0.00 0.00 33.84 34.18 1gej n VAL 101 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1gej h GLU 102 N 0.00 0.74 -0.96 7.34 4.81 -1.39 -3.24 114.58 121.88 1gej h GLU 102 Ca 0.00 -0.04 0.30 0.00 -0.13 0.00 0.00 59.36 59.48 1gej h GLU 102 Cb 0.03 -0.17 -0.17 0.00 0.63 0.00 0.00 28.75 29.08 1gej h GLU 102 CO 0.00 0.49 0.25 -1.35 -0.73 0.00 0.00 179.01 177.67 1gej h PRO 103 N 0.76 0.09 0.00 0.92 0.11 -1.87 0.26 132.00 132.28 1gej h PRO 103 Ca 0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 1gej h PRO 103 Cb 0.12 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 1gej h PRO 103 CO -0.08 0.06 -0.10 1.15 -0.21 0.00 0.00 178.00 178.82 1gej h THR 104 N 0.10 0.36 -0.20 -1.15 2.02 -1.96 -3.18 112.91 108.90 1gej h THR 104 Ca 0.65 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1gej h THR 104 Cb 1.46 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1gej h THR 104 CO -0.78 0.10 0.00 0.49 0.37 0.00 0.00 175.52 175.70 1gej n PHE 105 N -3.38 0.25 -1.18 3.16 3.01 0.89 -4.37 117.46 115.84 1gej n PHE 105 Ca -0.01 -0.13 -0.32 0.00 1.01 0.00 0.00 57.45 57.99 1gej n PHE 105 Cb 0.28 -0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.86 1gej n PHE 105 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1gej s THR 106 N -1.60 2.51 0.29 4.37 -4.23 -1.11 -4.63 115.64 111.24 1gej s THR 106 Ca 0.31 0.20 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1gej s THR 106 Cb 0.20 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.76 1gej s THR 106 CO 0.28 -0.18 1.85 -0.65 -0.54 0.00 0.00 174.62 175.38 1gej h PRO 107 N -0.97 0.97 -0.25 3.99 0.11 -1.95 -0.35 132.00 133.55 1gej h PRO 107 Ca -0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1gej h PRO 107 Cb 1.27 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1gej h PRO 107 CO 0.48 0.64 0.06 1.49 -0.21 0.00 0.00 178.00 180.45 1gej h GLU 108 N 1.00 0.40 -0.69 1.05 4.57 -1.96 -0.63 114.58 118.31 1gej h GLU 108 Ca 0.48 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.54 1gej h GLU 108 Cb 0.45 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1gej h GLU 108 CO -0.24 0.51 0.35 0.00 -1.18 0.00 0.00 179.01 178.44 1gej h ALA 109 N 0.88 0.89 -0.50 2.92 0.00 -1.69 -1.84 119.26 119.92 1gej h ALA 109 Ca 0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1gej h ALA 109 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1gej h ALA 109 CO 0.00 0.44 -0.04 0.28 0.00 0.00 0.00 179.25 179.93 1gej h VAL 110 N 0.96 1.26 -0.91 0.00 2.07 -0.93 -0.76 116.25 117.93 1gej h VAL 110 Ca 0.24 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1gej h VAL 110 Cb 0.10 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1gej h VAL 110 CO -0.03 0.39 0.60 0.11 0.02 0.00 0.00 177.57 178.66 1gej h LYS 111 N 0.80 1.20 0.00 1.57 1.57 -0.74 -1.20 116.57 119.77 1gej h LYS 111 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1gej h LYS 111 Cb 0.54 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1gej h LYS 111 CO 0.03 0.80 0.00 -0.91 -0.57 0.00 0.00 179.45 178.80 1gej h ASN 112 N 1.24 0.00 0.89 0.86 2.35 -0.85 -2.90 115.58 117.17 1gej h ASN 112 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1gej h ASN 112 Cb -0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1gej h ASN 112 CO -0.07 0.00 -0.31 0.18 -1.65 0.00 0.00 177.43 175.58 1gej n LEU 113 N -3.03 0.46 -0.20 1.61 4.77 -0.34 -4.37 117.00 115.89 1gej n LEU 113 Ca 0.02 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1gej n LEU 113 Cb 0.40 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1gej n LEU 113 CO 0.30 -0.00 0.78 -0.61 -1.33 0.00 0.00 177.39 176.52 1gej h GLN 114 N 0.00 0.04 -0.30 3.23 5.75 -1.16 -0.42 115.11 122.25 1gej h GLN 114 Ca 0.00 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1gej h GLN 114 Cb 0.60 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1gej h GLN 114 CO 0.00 0.03 0.18 -1.35 -2.65 0.00 0.00 178.83 175.04 1gej h PRO 115 N 0.04 0.41 -0.26 -2.39 0.11 -1.82 0.63 132.00 128.72 1gej h PRO 115 Ca 0.31 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.25 1gej h PRO 115 Cb 0.49 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1gej h PRO 115 CO -0.59 0.29 -0.37 -0.92 -0.21 0.00 0.00 178.00 176.20 1gej h TYR 116 N 0.42 0.87 -0.72 0.65 3.20 -1.43 -1.53 116.97 118.42 1gej h TYR 116 Ca 0.11 -0.29 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 1gej h TYR 116 Cb -0.01 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1gej h TYR 116 CO 0.00 1.05 0.40 0.82 -1.64 0.00 0.00 178.16 178.79 1gej h ILE 117 N 0.43 1.22 -0.12 1.81 2.04 -0.63 -1.31 117.51 120.96 1gej h ILE 117 Ca 0.03 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1gej h ILE 117 Cb 0.95 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1gej h ILE 117 CO 0.09 0.24 0.06 -0.61 0.00 0.00 0.00 178.15 177.93 1gej h GLN 118 N 1.00 0.18 -0.34 2.37 5.75 -0.78 -1.76 115.11 121.53 1gej h GLN 118 Ca 0.25 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.67 1gej h GLN 118 Cb 0.04 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1gej h GLN 118 CO -0.04 0.25 -0.02 0.07 -2.65 0.00 0.00 178.83 176.44 1gej h ARG 119 N 0.07 0.53 -0.28 1.69 0.11 -1.08 0.22 114.38 115.63 1gej h ARG 119 Ca 0.04 -0.12 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 1gej h ARG 119 Cb 0.13 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 1gej h ARG 119 CO -0.00 0.57 0.15 1.15 0.10 0.00 0.00 179.97 181.93 1gej h THR 120 N 0.50 1.13 -0.45 0.08 2.02 -1.03 0.57 112.91 115.73 1gej h THR 120 Ca 0.11 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1gej h THR 120 Cb 0.35 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1gej h THR 120 CO 0.01 0.13 0.03 0.58 0.37 0.00 0.00 175.52 176.64 1gej h VAL 121 N 0.34 1.26 -0.09 3.16 2.07 -0.86 -2.17 116.25 119.96 1gej h VAL 121 Ca 0.10 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1gej h VAL 121 Cb 0.08 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1gej h VAL 121 CO -0.02 0.35 0.05 0.44 0.02 0.00 0.00 177.57 178.41 1gej h ASP 122 N 0.64 0.07 -0.78 0.57 3.32 -0.27 -1.24 116.42 118.72 1gej h ASP 122 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1gej h ASP 122 Cb 0.46 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1gej h ASP 122 CO 0.02 0.06 0.47 0.44 -1.72 0.00 0.00 179.24 178.50 1gej h ASP 123 N 0.10 0.95 -0.34 6.45 3.32 -0.85 0.09 116.42 126.14 1gej h ASP 123 Ca 0.04 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1gej h ASP 123 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1gej h ASP 123 CO -0.02 0.74 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.07 1gej h LEU 124 N 1.08 0.75 -0.31 1.55 4.07 -1.20 -0.53 115.31 120.71 1gej h LEU 124 Ca 0.28 -0.22 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 1gej h LEU 124 Cb -0.03 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1gej h LEU 124 CO -0.05 0.88 -0.26 -0.07 -1.08 0.00 0.00 178.44 177.85 1gej h LEU 125 N 0.69 0.77 -0.74 1.67 3.38 -0.78 -0.70 115.31 119.60 1gej h LEU 125 Ca 0.12 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1gej h LEU 125 Cb 0.57 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1gej h LEU 125 CO 0.04 1.07 0.36 -0.08 0.09 0.00 0.00 178.44 179.91 1gej h GLU 126 N 0.49 1.07 -0.71 1.13 4.57 -0.79 0.32 114.58 120.65 1gej h GLU 126 Ca 0.06 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 1gej h GLU 126 Cb 0.83 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1gej h GLU 126 CO 0.07 0.84 0.21 1.96 -1.18 0.00 0.00 179.01 180.90 1gej h GLN 127 N 1.04 1.12 -0.04 1.92 4.20 -1.00 0.13 115.11 122.49 1gej h GLN 127 Ca 0.26 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1gej h GLN 127 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1gej h GLN 127 CO -0.03 0.97 -0.41 1.98 -0.67 0.00 0.00 178.83 180.67 1gej h MET 128 N 1.06 0.08 0.17 1.46 4.05 -0.41 -1.24 114.93 120.10 1gej h MET 128 Ca 0.23 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1gej h MET 128 Cb 0.33 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1gej h MET 128 CO -0.00 0.48 -0.08 -0.22 0.23 0.00 0.00 176.91 177.32 1gej h LYS 129 N 0.07 -0.22 -0.06 0.39 3.64 0.30 -2.59 116.57 118.10 1gej h LYS 129 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1gej h LYS 129 Cb 0.76 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1gej h LYS 129 CO 0.06 0.19 0.00 -0.56 -2.27 0.00 0.00 179.45 176.87 1gej h GLN 130 N -0.90 0.08 0.00 1.90 3.07 -0.79 0.68 115.11 119.14 1gej h GLN 130 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.67 1gej h GLN 130 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1gej h GLN 130 CO 0.04 0.09 -0.18 -0.22 0.09 0.00 0.00 178.83 178.65 1gej h LYS 131 N 0.08 0.00 0.00 0.06 3.64 -1.24 -3.48 116.57 115.63 1gej h LYS 131 Ca 0.02 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1gej h LYS 131 Cb 0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1gej h LYS 131 CO 0.00 0.18 -0.07 0.41 -2.27 0.00 0.00 179.45 177.70 1gej n GLY 132 N -0.45 -0.64 2.10 5.01 0.00 0.24 -4.77 105.19 106.67 1gej n GLY 132 Ca -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 1gej n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gej h ALA 134 N 1.41 1.60 -0.58 0.00 0.00 -1.97 -2.15 119.26 117.57 1gej h ALA 134 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1gej h ALA 134 Cb 1.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1gej h ALA 134 CO 0.02 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1gej n ASN 135 N -4.33 5.11 0.00 0.00 3.02 -1.26 -5.04 115.26 112.76 1gej n ASN 135 Ca -0.01 -2.69 0.00 0.00 -0.03 0.00 0.00 54.58 51.85 1gej n ASN 135 Cb 0.22 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1gej n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gej n GLY 136 N 0.81 0.87 3.78 7.41 0.00 -0.81 -5.10 105.19 112.15 1gej n GLY 136 Ca 0.26 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 1gej n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gej s PRO 137 N -0.99 2.61 0.28 1.61 0.04 -1.26 -4.42 135.00 132.87 1gej s PRO 137 Ca 0.00 1.23 0.11 0.00 0.04 0.00 0.00 61.00 62.38 1gej s PRO 137 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1gej s PRO 137 CO 0.00 -1.38 -0.13 0.14 0.04 0.00 0.00 177.00 175.68 1gej s VAL 138 N -2.68 2.80 -0.51 -0.36 -7.23 -0.72 -4.86 120.40 106.84 1gej s VAL 138 Ca 0.63 -2.23 -0.23 0.00 -1.81 0.00 0.00 61.98 58.34 1gej s VAL 138 Cb -0.18 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1gej s VAL 138 CO 0.49 -0.38 0.85 -0.62 -0.31 0.00 0.00 175.10 175.13 1gej s ASP 139 N -3.57 6.36 0.51 4.85 2.15 -1.26 -0.41 116.67 125.30 1gej s ASP 139 Ca 0.31 -0.32 0.20 0.00 0.43 0.00 0.00 52.55 53.16 1gej s ASP 139 Cb -0.05 -2.40 1.29 0.00 -0.30 0.00 0.00 42.92 41.46 1gej s ASP 139 CO 0.17 -1.08 2.06 0.25 -0.17 0.00 0.00 175.17 176.40 1gej h LEU 140 N 10.52 0.05 0.38 -1.34 6.46 -0.90 -0.40 115.31 130.07 1gej h LEU 140 Ca -0.26 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1gej h LEU 140 Cb 1.08 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1gej h LEU 140 CO 1.03 0.03 -0.18 0.58 -0.62 0.00 0.00 178.44 179.28 1gej h VAL 141 N 0.06 0.51 -0.41 1.05 2.07 -1.91 0.38 116.25 118.00 1gej h VAL 141 Ca 0.15 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1gej h VAL 141 Cb 0.53 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1gej h VAL 141 CO -0.01 0.09 0.24 0.50 0.02 0.00 0.00 177.57 178.41 1gej h LYS 142 N -0.90 0.47 0.00 1.57 3.64 -1.80 0.13 116.57 119.67 1gej h LYS 142 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1gej h LYS 142 Cb 0.54 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1gej h LYS 142 CO 0.08 0.31 -0.09 0.39 -2.27 0.00 0.00 179.45 177.87 1gej n GLU 143 N -4.86 0.25 0.13 1.90 -0.58 -0.20 -4.48 120.64 112.80 1gej n GLU 143 Ca 0.01 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1gej n GLU 143 Cb 0.06 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.16 1gej n GLU 143 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1gej n PHE 144 N -2.20 -2.60 -0.19 -0.32 7.35 -0.06 -4.80 117.46 114.64 1gej n PHE 144 Ca 0.05 0.61 0.03 0.00 -0.76 0.00 0.00 57.45 57.38 1gej n PHE 144 Cb 0.43 1.39 0.29 0.00 0.35 0.00 0.00 39.48 41.94 1gej n PHE 144 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1gej h ALA 145 N 0.00 1.56 0.12 3.13 0.00 -0.81 -2.42 119.26 120.84 1gej h ALA 145 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gej h ALA 145 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1gej h ALA 145 CO 0.00 0.37 -0.06 1.25 0.00 0.00 0.00 179.25 180.81 1gej h LEU 146 N 0.90 -0.13 -1.75 0.00 5.85 -0.98 -3.37 115.31 115.83 1gej h LEU 146 Ca 0.29 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1gej h LEU 146 Cb 0.03 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1gej h LEU 146 CO -0.08 0.48 -0.12 1.55 -0.34 0.00 0.00 178.44 179.93 1gej h PRO 147 N -0.92 0.00 0.57 5.25 0.13 -1.76 -2.93 132.00 132.34 1gej h PRO 147 Ca -0.02 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1gej h PRO 147 Cb 0.52 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1gej h PRO 147 CO 0.03 0.12 -0.41 0.28 -0.23 0.00 0.00 178.00 177.79 1gej h VAL 148 N 0.00 0.00 -0.48 1.56 2.07 -1.59 0.19 116.25 118.00 1gej h VAL 148 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1gej h VAL 148 Cb 0.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1gej h VAL 148 CO 0.02 0.00 -0.02 1.55 0.02 0.00 0.00 177.57 179.13 1gej h PRO 149 N -0.93 0.82 0.31 1.57 0.13 -1.74 -2.72 132.00 129.43 1gej h PRO 149 Ca -0.08 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1gej h PRO 149 Cb 0.77 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1gej h PRO 149 CO 0.04 0.84 -0.15 0.77 -0.23 0.00 0.00 178.00 179.27 1gej h SER 150 N 0.76 -0.35 -0.95 1.44 0.02 -1.37 -1.23 113.55 111.86 1gej h SER 150 Ca 0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gej h SER 150 Cb 0.49 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1gej h SER 150 CO 0.02 -0.22 0.60 1.88 -1.14 0.00 0.00 176.83 177.98 1gej h TYR 151 N -0.46 1.23 0.08 3.45 0.99 -0.63 -1.56 116.97 120.07 1gej h TYR 151 Ca -0.04 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 1gej h TYR 151 Cb 0.35 -0.41 0.00 0.00 1.00 0.00 0.00 36.73 37.67 1gej h TYR 151 CO -0.04 0.80 -0.04 0.82 -0.00 0.00 0.00 178.16 179.70 1gej h ILE 152 N 1.30 1.09 -0.47 -2.88 2.04 -1.30 -0.25 117.51 117.04 1gej h ILE 152 Ca 0.34 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1gej h ILE 152 Cb -0.09 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1gej h ILE 152 CO -0.07 0.15 -0.06 -0.29 0.00 0.00 0.00 178.15 177.89 1gej h ILE 153 N -0.39 1.27 -0.46 -0.67 6.09 -1.17 -0.50 117.51 121.67 1gej h ILE 153 Ca -0.01 -1.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1gej h ILE 153 Cb 0.34 1.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 1gej h ILE 153 CO 0.02 0.40 0.30 1.88 -3.07 0.00 0.00 178.15 177.68 1gej h TYR 154 N 0.72 0.60 -0.62 2.19 0.99 -1.31 0.94 116.97 120.48 1gej h TYR 154 Ca 0.13 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 1gej h TYR 154 Cb 0.59 -0.20 -0.03 0.00 1.00 0.00 0.00 36.73 38.09 1gej h TYR 154 CO 0.04 0.40 0.34 1.15 -0.00 0.00 0.00 178.16 180.09 1gej h THR 155 N 0.62 1.20 -0.76 -2.88 2.02 -0.83 -0.43 112.91 111.86 1gej h THR 155 Ca 0.17 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1gej h THR 155 Cb -0.04 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1gej h THR 155 CO -0.03 0.21 0.32 -0.07 0.37 0.00 0.00 175.52 176.32 1gej h LEU 156 N 0.84 1.02 -0.84 2.58 3.38 -0.59 -2.49 115.31 119.21 1gej h LEU 156 Ca 0.22 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1gej h LEU 156 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1gej h LEU 156 CO -0.04 0.89 -0.20 -0.07 0.09 0.00 0.00 178.44 179.11 1gej h LEU 157 N 1.09 0.64 0.00 1.67 3.38 -0.26 -0.71 115.31 121.12 1gej h LEU 157 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gej h LEU 157 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gej h LEU 157 CO -0.03 0.84 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1gej n GLY 158 N -0.36 -0.40 3.73 0.83 0.00 -0.29 -2.04 105.19 106.65 1gej n GLY 158 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gej n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gej s VAL 159 N -0.59 2.31 0.59 1.61 1.01 -0.48 -4.97 120.40 119.88 1gej s VAL 159 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 1gej s VAL 159 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1gej s VAL 159 CO 0.00 0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.07 1gej s PRO 160 N 0.68 3.18 0.24 2.72 0.04 -1.26 -4.45 135.00 136.16 1gej s PRO 160 Ca 0.69 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 1gej s PRO 160 Cb -0.46 -2.00 0.45 0.00 0.04 0.00 0.00 34.50 32.53 1gej s PRO 160 CO 0.36 -0.95 1.65 0.35 0.04 0.00 0.00 177.00 178.44 1gej h PHE 161 N 0.67 0.06 0.00 0.56 3.57 -1.99 -2.04 116.94 117.76 1gej h PHE 161 Ca -0.48 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1gej h PHE 161 Cb 1.25 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1gej h PHE 161 CO 0.54 -0.19 0.00 0.09 -2.23 0.00 0.00 178.31 176.52 1gej n ASN 162 N -5.29 0.36 -0.24 0.41 4.13 -1.26 -2.30 115.26 111.08 1gej n ASN 162 Ca 0.14 0.62 0.10 0.00 1.68 0.00 0.00 54.58 57.12 1gej n ASN 162 Cb 0.48 -0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 37.98 1gej n ASN 162 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1gej n ASP 163 N -1.93 1.42 -0.02 6.41 8.00 -0.77 -4.62 116.55 125.05 1gej n ASP 163 Ca 0.01 -1.21 -0.09 0.00 0.71 0.00 0.00 54.79 54.21 1gej n ASP 163 Cb 0.12 0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 1gej n ASP 163 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1gej h LEU 164 N 1.16 -0.22 -0.24 0.64 3.38 -1.48 -1.94 115.31 116.61 1gej h LEU 164 Ca 0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1gej h LEU 164 Cb 0.58 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1gej h LEU 164 CO 0.00 -0.09 0.14 -0.08 0.09 0.00 0.00 178.44 178.50 1gej h GLU 165 N -0.04 0.28 -0.29 1.13 4.81 -1.82 0.26 114.58 118.90 1gej h GLU 165 Ca 0.08 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1gej h GLU 165 Cb 0.17 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1gej h GLU 165 CO -0.19 0.18 0.05 -0.92 -0.73 0.00 0.00 179.01 177.41 1gej h TYR 166 N 0.28 0.51 -0.18 0.92 3.20 -1.85 -2.64 116.97 117.22 1gej h TYR 166 Ca 0.09 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1gej h TYR 166 Cb -0.00 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1gej h TYR 166 CO -0.08 0.57 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.79 1gej h LEU 167 N 0.31 0.29 -0.55 2.82 4.07 -1.21 -1.57 115.31 119.47 1gej h LEU 167 Ca 0.09 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1gej h LEU 167 Cb 0.33 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1gej h LEU 167 CO 0.00 0.47 0.08 0.74 -1.08 0.00 0.00 178.44 178.65 1gej h THR 168 N 0.28 1.26 -0.37 0.22 2.02 -0.83 -1.55 112.91 113.94 1gej h THR 168 Ca 0.05 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 1gej h THR 168 Cb 0.44 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1gej h THR 168 CO 0.03 0.36 0.03 -0.61 0.37 0.00 0.00 175.52 175.69 1gej h GLN 169 N 0.81 0.63 -0.55 6.66 4.15 -1.07 -2.19 115.11 123.54 1gej h GLN 169 Ca 0.17 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1gej h GLN 169 Cb 0.43 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1gej h GLN 169 CO 0.01 0.72 0.20 1.96 -1.93 0.00 0.00 178.83 179.80 1gej h GLN 170 N 0.45 0.83 -0.35 1.69 1.08 -1.15 -1.61 115.11 116.05 1gej h GLN 170 Ca 0.11 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1gej h GLN 170 Cb 0.42 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1gej h GLN 170 CO 0.01 0.74 -0.01 -0.97 -0.95 0.00 0.00 178.83 177.65 1gej h ASN 171 N 0.76 0.53 -0.33 1.46 -0.00 -1.26 -2.23 115.58 114.50 1gej h ASN 171 Ca 0.18 -0.11 -0.08 0.00 -0.00 0.00 0.00 56.30 56.29 1gej h ASN 171 Cb 0.23 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.39 1gej h ASN 171 CO -0.01 0.61 -0.08 0.00 -0.00 0.00 0.00 177.43 177.95 1gej h ALA 172 N 1.46 1.07 -0.00 1.57 0.00 -0.94 -2.59 119.26 119.83 1gej h ALA 172 Ca 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1gej h ALA 172 Cb 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gej h ALA 172 CO 0.01 0.57 -0.09 0.82 0.00 0.00 0.00 179.25 180.56 1gej h ILE 173 N 0.68 1.07 -0.77 0.00 2.04 -0.68 -0.46 117.51 119.39 1gej h ILE 173 Ca 0.12 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.74 1gej h ILE 173 Cb 0.53 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 1gej h ILE 173 CO 0.03 0.10 0.42 0.03 0.00 0.00 0.00 178.15 178.73 1gej h ARG 174 N 0.01 0.70 -0.06 2.37 3.08 -1.32 -3.17 114.38 115.99 1gej h ARG 174 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1gej h ARG 174 Cb 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1gej h ARG 174 CO 0.01 0.46 0.00 0.25 -1.07 0.00 0.00 179.97 179.63 1gej n THR 175 N -4.78 0.13 -2.00 2.04 -2.24 -0.88 -4.83 114.28 101.72 1gej n THR 175 Ca 0.12 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1gej n THR 175 Cb 0.26 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 1gej n THR 175 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1gej s ASN 176 N -0.93 6.65 0.57 3.42 0.01 -0.23 -4.87 114.94 119.55 1gej s ASN 176 Ca 0.14 2.58 0.30 0.00 -0.71 0.00 0.00 52.86 55.18 1gej s ASN 176 Cb 0.10 -2.60 1.74 0.00 0.41 0.00 0.00 41.25 40.89 1gej s ASN 176 CO 0.14 -0.76 2.20 1.23 -1.51 0.00 0.00 177.10 178.40 1gej h GLY 177 N 6.26 0.00 2.00 0.66 0.00 -1.91 -2.36 103.07 107.73 1gej h GLY 177 Ca -0.44 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 1gej h GLY 177 CO 0.86 0.00 -0.67 1.48 0.00 0.00 0.00 176.54 178.21 1gej h SER 178 N 0.00 0.00 -3.70 0.19 4.64 -1.95 -3.46 113.55 109.27 1gej h SER 178 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1gej h SER 178 Cb 0.12 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.34 1gej h SER 178 CO 0.01 0.67 0.54 -1.20 -0.87 0.00 0.00 176.83 175.98 1gej n SER 179 N -3.52 2.70 -4.90 4.97 7.64 -0.89 -4.99 113.62 114.63 1gej n SER 179 Ca -0.00 1.09 -0.28 0.00 1.01 0.00 0.00 58.87 60.68 1gej n SER 179 Cb 0.71 -1.53 0.05 0.00 -1.01 0.00 0.00 64.21 62.43 1gej n SER 179 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1gej s THR 180 N -1.22 3.29 0.35 0.44 -4.23 -1.26 -4.84 115.64 108.17 1gej s THR 180 Ca 0.62 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 61.36 1gej s THR 180 Cb -0.48 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.25 1gej s THR 180 CO 0.57 -0.45 2.00 0.00 -0.54 0.00 0.00 174.62 176.19 1gej h ALA 181 N -0.52 1.58 -0.19 3.99 0.00 -1.99 -0.05 119.26 122.08 1gej h ALA 181 Ca -0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1gej h ALA 181 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1gej h ALA 181 CO 0.63 0.37 0.04 0.00 0.00 0.00 0.00 179.25 180.28 1gej h ARG 182 N 0.85 0.31 -0.61 0.00 3.08 -1.99 -1.01 114.38 115.01 1gej h ARG 182 Ca 0.25 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1gej h ARG 182 Cb -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1gej h ARG 182 CO -0.06 0.46 0.25 0.93 -1.07 0.00 0.00 179.97 180.48 1gej h GLU 183 N 0.11 0.90 -0.44 0.04 5.08 -1.80 -0.16 114.58 118.32 1gej h GLU 183 Ca 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1gej h GLU 183 Cb 0.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1gej h GLU 183 CO 0.00 0.76 0.23 0.00 -1.00 0.00 0.00 179.01 179.00 1gej h ALA 184 N 1.10 0.56 -0.34 3.43 0.00 -0.89 -1.48 119.26 121.64 1gej h ALA 184 Ca 0.20 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1gej h ALA 184 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1gej h ALA 184 CO -0.02 0.10 -0.41 0.66 0.00 0.00 0.00 179.25 179.58 1gej h SER 185 N 0.57 0.89 -0.56 0.00 4.64 -1.03 -2.07 113.55 116.00 1gej h SER 185 Ca 0.15 -0.41 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1gej h SER 185 Cb 0.07 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 1gej h SER 185 CO -0.02 1.18 0.34 0.00 -0.87 0.00 0.00 176.83 177.46 1gej h ALA 186 N 0.86 0.72 -0.74 5.18 0.00 -0.80 -0.01 119.26 124.46 1gej h ALA 186 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1gej h ALA 186 Cb 0.98 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1gej h ALA 186 CO 0.09 0.06 0.28 0.00 0.00 0.00 0.00 179.25 179.68 1gej h ALA 187 N 1.24 0.96 0.27 0.00 0.00 -1.21 -1.07 119.26 119.44 1gej h ALA 187 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1gej h ALA 187 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1gej h ALA 187 CO -0.10 0.60 -0.21 -0.97 0.00 0.00 0.00 179.25 178.58 1gej h ASN 188 N 1.07 -0.53 -0.10 0.00 -1.24 -0.60 -1.59 115.58 112.59 1gej h ASN 188 Ca 0.24 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.25 1gej h ASN 188 Cb 0.24 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1gej h ASN 188 CO -0.02 -0.32 -0.07 -0.61 -1.29 0.00 0.00 177.43 175.13 1gej h GLN 189 N -0.48 0.38 -0.54 6.67 5.75 -0.91 -2.26 115.11 123.72 1gej h GLN 189 Ca -0.02 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 1gej h GLN 189 Cb 0.42 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1gej h GLN 189 CO -0.01 0.46 0.08 1.49 -2.65 0.00 0.00 178.83 178.20 1gej h GLU 190 N 0.36 0.91 -0.52 1.69 4.81 -0.88 0.03 114.58 120.98 1gej h GLU 190 Ca 0.08 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1gej h GLU 190 Cb 0.36 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1gej h GLU 190 CO 0.02 0.89 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.05 1gej h LEU 191 N 0.80 0.91 -0.73 1.64 3.38 -0.98 -0.84 115.31 119.49 1gej h LEU 191 Ca 0.16 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1gej h LEU 191 Cb 0.43 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1gej h LEU 191 CO 0.01 1.01 0.12 -0.07 0.09 0.00 0.00 178.44 179.60 1gej h LEU 192 N 0.84 1.04 -0.52 1.67 3.38 -1.14 -0.80 115.31 119.78 1gej h LEU 192 Ca 0.14 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1gej h LEU 192 Cb 0.59 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1gej h LEU 192 CO 0.04 1.02 0.17 0.44 0.09 0.00 0.00 178.44 180.20 1gej h ASP 193 N 1.02 0.74 -0.54 -0.43 3.45 -0.63 -1.70 116.42 118.33 1gej h ASP 193 Ca 0.20 -0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.44 1gej h ASP 193 Cb 0.42 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1gej h ASP 193 CO 0.01 0.74 0.23 0.22 -1.57 0.00 0.00 179.24 178.88 1gej h TYR 194 N 0.70 0.81 -0.09 4.55 3.20 -0.81 -2.41 116.97 122.92 1gej h TYR 194 Ca 0.17 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1gej h TYR 194 Cb 0.26 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1gej h TYR 194 CO 0.01 0.65 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.86 1gej h LEU 195 N 0.73 0.16 -0.77 2.82 3.38 -0.98 -2.17 115.31 118.49 1gej h LEU 195 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1gej h LEU 195 Cb 0.17 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1gej h LEU 195 CO -0.02 0.42 0.42 0.00 0.09 0.00 0.00 178.44 179.35 1gej h ALA 196 N 1.60 0.98 -0.47 1.53 0.00 -0.83 -0.34 119.26 121.74 1gej h ALA 196 Ca 0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1gej h ALA 196 Cb 0.53 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1gej h ALA 196 CO 0.04 0.49 -0.05 0.82 0.00 0.00 0.00 179.25 180.55 1gej h ILE 197 N 1.06 1.27 -0.71 0.00 1.08 -1.09 -2.10 117.51 117.02 1gej h ILE 197 Ca 0.27 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1gej h ILE 197 Cb 0.03 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 1gej h ILE 197 CO -0.04 0.39 0.45 -0.07 -0.69 0.00 0.00 178.15 178.19 1gej h LEU 198 N 0.71 0.83 -0.18 1.44 3.38 -0.96 -0.41 115.31 120.11 1gej h LEU 198 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1gej h LEU 198 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1gej h LEU 198 CO 0.03 0.62 0.09 0.58 0.09 0.00 0.00 178.44 179.85 1gej h VAL 199 N 0.96 1.12 -0.57 1.22 2.07 -0.90 0.12 116.25 120.28 1gej h VAL 199 Ca 0.26 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1gej h VAL 199 Cb -0.08 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1gej h VAL 199 CO -0.05 0.12 0.28 -0.33 0.02 0.00 0.00 177.57 177.61 1gej h GLU 200 N 0.17 0.52 -0.02 1.57 4.39 -1.03 -0.18 114.58 119.99 1gej h GLU 200 Ca 0.06 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1gej h GLU 200 Cb 0.11 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1gej h GLU 200 CO -0.01 0.35 0.01 1.96 -1.16 0.00 0.00 179.01 180.16 1gej h GLN 201 N 0.54 0.04 0.00 2.33 4.20 -0.78 -2.87 115.11 118.56 1gej h GLN 201 Ca 0.26 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1gej h GLN 201 Cb 0.19 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1gej h GLN 201 CO -0.19 0.13 -0.08 0.00 -0.67 0.00 0.00 178.83 178.03 1gej h ARG 202 N -0.07 0.00 -0.10 1.46 2.47 -0.48 0.26 114.38 117.91 1gej h ARG 202 Ca 0.01 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1gej h ARG 202 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1gej h ARG 202 CO -0.00 0.08 -0.49 -0.07 0.56 0.00 0.00 179.97 180.05 1gej h LEU 203 N 0.00 0.28 0.00 3.04 3.38 -0.81 -2.26 115.31 118.94 1gej h LEU 203 Ca -0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1gej h LEU 203 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1gej h LEU 203 CO 0.01 0.73 -0.30 0.58 0.09 0.00 0.00 178.44 179.55 1gej h VAL 204 N 0.21 1.21 -2.99 1.22 2.07 -1.26 -3.43 116.25 113.29 1gej h VAL 204 Ca 0.01 -2.02 -0.61 0.00 0.82 0.00 0.00 66.70 64.90 1gej h VAL 204 Cb 0.94 2.40 -0.40 0.00 -1.52 0.00 0.00 31.29 32.70 1gej h VAL 204 CO 0.08 0.41 -0.72 -0.70 0.02 0.00 0.00 177.57 176.65 1gej s GLU 205 N -2.14 1.48 0.51 1.57 2.56 0.01 -5.11 118.70 117.58 1gej s GLU 205 Ca -0.18 -2.26 -0.23 0.00 0.00 0.00 0.00 54.97 52.31 1gej s GLU 205 Cb -0.00 -2.51 -0.06 0.00 2.00 0.00 0.00 34.13 33.56 1gej s GLU 205 CO 0.53 -1.19 1.37 -1.25 -0.56 0.00 0.00 175.26 174.16 1gej s PRO 206 N 0.02 3.35 0.00 4.30 0.04 -0.85 -4.39 135.00 137.48 1gej s PRO 206 Ca 0.20 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1gej s PRO 206 Cb -0.20 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1gej s PRO 206 CO -0.04 -1.03 0.00 1.63 0.04 0.00 0.00 177.00 177.60 1gej n LYS 207 N -0.73 1.83 -3.08 4.56 4.76 -1.26 -5.07 118.16 119.18 1gej n LYS 207 Ca 0.08 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.08 1gej n LYS 207 Cb 0.44 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 1gej n LYS 207 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1gej n ASP 208 N -1.19 5.65 -3.99 4.39 -0.08 -1.26 -4.69 116.55 115.38 1gej n ASP 208 Ca 0.00 -3.13 -0.09 0.00 -1.51 0.00 0.00 54.79 50.06 1gej n ASP 208 Cb 0.00 -1.40 -0.05 0.00 2.34 0.00 0.00 41.12 42.01 1gej n ASP 208 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1gej s ASP 209 N 0.80 -0.10 0.16 1.67 3.84 -1.26 -4.95 116.67 116.82 1gej s ASP 209 Ca 0.34 -0.90 -0.16 0.00 -0.00 0.00 0.00 52.55 51.83 1gej s ASP 209 Cb -0.03 0.59 0.03 0.00 -1.38 0.00 0.00 42.92 42.14 1gej s ASP 209 CO -0.01 -1.15 1.80 0.40 -0.00 0.00 0.00 175.17 176.21 1gej h ILE 210 N 2.24 1.05 -0.78 2.11 2.04 -1.13 -2.07 117.51 120.98 1gej h ILE 210 Ca -0.26 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1gej h ILE 210 Cb 1.25 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1gej h ILE 210 CO 0.35 0.09 0.47 0.40 0.00 0.00 0.00 178.15 179.45 1gej h ILE 211 N 0.48 1.01 -0.61 -0.67 2.04 -1.66 -0.74 117.51 117.36 1gej h ILE 211 Ca 0.16 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1gej h ILE 211 Cb -0.01 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1gej h ILE 211 CO -0.07 0.15 0.26 0.28 0.00 0.00 0.00 178.15 178.78 1gej h SER 212 N 0.85 0.82 -0.82 1.72 0.02 -1.72 -0.71 113.55 113.71 1gej h SER 212 Ca 0.34 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1gej h SER 212 Cb 0.18 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1gej h SER 212 CO -0.18 0.75 0.54 0.11 -1.14 0.00 0.00 176.83 176.92 1gej h LYS 213 N 0.84 1.06 -0.47 3.45 1.57 -0.65 0.44 116.57 122.81 1gej h LYS 213 Ca 0.21 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1gej h LYS 213 Cb 0.17 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1gej h LYS 213 CO -0.02 0.70 0.14 -0.07 -0.57 0.00 0.00 179.45 179.64 1gej h LEU 214 N 1.10 0.69 0.10 2.94 3.38 -0.72 -0.23 115.31 122.57 1gej h LEU 214 Ca 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1gej h LEU 214 Cb -0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1gej h LEU 214 CO -0.08 0.72 -0.05 0.00 0.09 0.00 0.00 178.44 179.12 1gej h THR 216 N -0.27 1.39 0.00 0.00 2.02 -0.92 0.11 112.91 115.24 1gej h THR 216 Ca -0.01 -1.33 -0.10 0.00 0.77 0.00 0.00 66.41 65.73 1gej h THR 216 Cb 0.22 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1gej h THR 216 CO 0.02 0.37 -0.75 -0.33 0.37 0.00 0.00 175.52 175.20 1gej h GLU 217 N -0.27 0.00 0.00 6.66 5.08 -1.12 -3.39 114.58 121.54 1gej h GLU 217 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1gej h GLU 217 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1gej h GLU 217 CO 0.02 0.35 -0.92 1.04 -1.00 0.00 0.00 179.01 178.50 1gej n GLN 218 N -3.07 0.00 0.04 2.33 1.13 -0.18 -4.64 117.38 112.99 1gej n GLN 218 Ca -0.01 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.94 1gej n GLN 218 Cb 0.73 -0.83 -0.08 0.00 0.11 0.00 0.00 30.24 30.16 1gej n GLN 218 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1gej h VAL 219 N 0.00 0.97 -0.40 5.09 2.07 -0.98 0.34 116.25 123.34 1gej h VAL 219 Ca 0.00 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1gej h VAL 219 Cb 0.92 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1gej h VAL 219 CO 0.00 0.25 0.12 0.11 0.02 0.00 0.00 177.57 178.07 1gej h LYS 220 N -0.81 0.27 0.00 1.57 1.57 -1.16 -0.01 116.57 117.99 1gej h LYS 220 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1gej h LYS 220 Cb 0.54 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1gej h LYS 220 CO 0.03 0.18 0.00 -2.30 -0.57 0.00 0.00 179.45 176.79 1gej n PRO 221 N -5.04 0.02 -0.67 3.15 -0.02 -1.25 -4.86 135.00 126.33 1gej n PRO 221 Ca 0.02 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1gej n PRO 221 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1gej n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gej n GLY 222 N -0.15 0.61 0.15 -1.23 0.00 -0.02 -4.96 105.19 99.60 1gej n GLY 222 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1gej n GLY 222 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gej h ASN 223 N 0.00 0.12 -5.23 1.61 2.35 -0.53 -3.46 115.58 110.43 1gej h ASN 223 Ca 0.00 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 1gej h ASN 223 Cb 0.00 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.21 1gej h ASN 223 CO 0.00 0.69 -0.29 0.27 -1.65 0.00 0.00 177.43 176.45 1gej s ILE 224 N -3.70 0.07 0.43 2.81 -4.36 -0.88 -5.00 121.20 110.57 1gej s ILE 224 Ca -0.02 -1.29 0.08 0.00 -0.26 0.00 0.00 60.65 59.15 1gej s ILE 224 Cb 0.12 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 42.08 1gej s ILE 224 CO 0.78 -0.31 0.49 1.51 0.24 0.00 0.00 174.94 177.65 1gej s ASP 225 N -2.95 5.34 0.23 4.36 1.47 -1.26 -4.07 116.67 119.79 1gej s ASP 225 Ca 0.15 -0.60 -0.09 0.00 1.18 0.00 0.00 52.55 53.19 1gej s ASP 225 Cb 0.03 -0.54 0.36 0.00 -0.34 0.00 0.00 42.92 42.43 1gej s ASP 225 CO -0.01 -0.75 1.66 0.11 0.68 0.00 0.00 175.17 176.85 1gej h LYS 226 N 0.79 0.15 -0.36 2.11 1.57 -1.98 -0.39 116.57 118.45 1gej h LYS 226 Ca -0.40 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1gej h LYS 226 Cb 1.28 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 1gej h LYS 226 CO 0.50 0.10 0.12 0.66 -0.57 0.00 0.00 179.45 180.26 1gej h SER 227 N 0.15 0.47 -0.38 0.86 4.64 -1.99 -1.29 113.55 116.00 1gej h SER 227 Ca 0.36 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1gej h SER 227 Cb 0.60 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1gej h SER 227 CO -0.55 0.45 0.15 0.44 -0.87 0.00 0.00 176.83 176.46 1gej h ASP 228 N 0.52 0.53 -0.58 4.97 3.32 -1.47 -1.15 116.42 122.55 1gej h ASP 228 Ca 0.13 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1gej h ASP 228 Cb 0.15 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1gej h ASP 228 CO -0.01 0.55 0.37 0.00 -1.72 0.00 0.00 179.24 178.43 1gej h ALA 229 N 1.00 0.74 -0.34 3.45 0.00 -0.76 -0.34 119.26 123.00 1gej h ALA 229 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1gej h ALA 229 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gej h ALA 229 CO -0.01 0.12 0.22 0.28 0.00 0.00 0.00 179.25 179.86 1gej h VAL 230 N 0.73 1.08 -0.47 0.00 2.07 -0.96 -1.31 116.25 117.39 1gej h VAL 230 Ca 0.22 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1gej h VAL 230 Cb -0.03 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1gej h VAL 230 CO -0.07 0.08 -0.00 1.56 0.02 0.00 0.00 177.57 179.16 1gej h GLN 231 N 0.46 0.78 -0.36 1.57 1.08 -0.72 0.11 115.11 118.02 1gej h GLN 231 Ca 0.13 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.05 1gej h GLN 231 Cb -0.05 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1gej h GLN 231 CO -0.03 0.79 -0.05 0.82 -0.95 0.00 0.00 178.83 179.41 1gej h ILE 232 N 0.73 1.27 -0.68 2.54 2.04 -0.86 0.49 117.51 123.03 1gej h ILE 232 Ca 0.14 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1gej h ILE 232 Cb 0.45 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1gej h ILE 232 CO 0.02 0.36 0.30 0.00 0.00 0.00 0.00 178.15 178.83 1gej h ALA 233 N 0.84 0.89 -0.76 1.87 0.00 -0.94 -1.76 119.26 119.40 1gej h ALA 233 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1gej h ALA 233 Cb 0.54 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1gej h ALA 233 CO 0.03 0.48 0.27 0.35 0.00 0.00 0.00 179.25 180.37 1gej h PHE 234 N 0.96 1.19 -0.32 0.00 3.57 -0.53 -1.87 116.94 119.95 1gej h PHE 234 Ca 0.23 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1gej h PHE 234 Cb 0.17 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1gej h PHE 234 CO 0.01 0.92 0.18 1.25 -2.23 0.00 0.00 178.31 178.44 1gej h LEU 235 N 1.12 0.39 -1.55 0.59 5.85 -0.45 -0.37 115.31 120.89 1gej h LEU 235 Ca 0.25 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1gej h LEU 235 Cb 0.27 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1gej h LEU 235 CO -0.01 0.35 0.11 -0.07 -0.34 0.00 0.00 178.44 178.48 1gej h LEU 236 N 0.40 0.36 0.36 2.25 3.38 -1.00 0.70 115.31 121.75 1gej h LEU 236 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1gej h LEU 236 Cb 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1gej h LEU 236 CO -0.02 0.34 -0.17 0.25 0.09 0.00 0.00 178.44 178.93 1gej h LEU 237 N 0.40 -0.41 0.00 1.67 6.46 -0.80 -3.38 115.31 119.26 1gej h LEU 237 Ca 0.10 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1gej h LEU 237 Cb 0.10 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1gej h LEU 237 CO -0.01 0.05 -0.21 -0.37 -0.62 0.00 0.00 178.44 177.28 1gej h VAL 238 N -1.05 0.00 0.30 1.05 -1.51 -0.99 -3.32 116.25 110.72 1gej h VAL 238 Ca -0.05 -0.76 -0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1gej h VAL 238 Cb 0.47 1.64 -0.04 0.00 -2.13 0.00 0.00 31.29 31.24 1gej h VAL 238 CO 0.08 0.00 -0.51 0.00 -1.23 0.00 0.00 177.57 175.91 1gej h ALA 239 N 2.24 -1.07 -0.06 5.19 0.00 -1.03 -3.36 119.26 121.17 1gej h ALA 239 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1gej h ALA 239 Cb 0.88 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1gej h ALA 239 CO 0.00 -1.15 0.00 0.41 0.00 0.00 0.00 179.25 178.51 1gej n GLY 240 N -1.52 1.50 0.37 0.00 0.00 -1.26 -4.79 105.19 99.50 1gej n GLY 240 Ca -0.10 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1gej n GLY 240 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1gej h ASN 241 N 0.52 -0.88 -0.42 1.61 -1.24 -1.71 -0.47 115.58 112.98 1gej h ASN 241 Ca 0.00 0.06 0.06 0.00 0.71 0.00 0.00 56.30 57.13 1gej h ASN 241 Cb 0.40 0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 1gej h ASN 241 CO 0.00 -0.52 0.29 0.00 -1.29 0.00 0.00 177.43 175.91 1gej h ALA 242 N -0.40 2.00 -0.28 1.57 0.00 -1.87 -0.50 119.26 119.78 1gej h ALA 242 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1gej h ALA 242 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1gej h ALA 242 CO 0.03 -0.08 -0.12 1.15 0.00 0.00 0.00 179.25 180.23 1gej h THR 243 N 0.31 1.29 -0.33 0.00 2.02 -1.76 -2.17 112.91 112.27 1gej h THR 243 Ca 0.19 -1.19 0.03 0.00 0.77 0.00 0.00 66.41 66.20 1gej h THR 243 Cb 0.34 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1gej h THR 243 CO -0.04 0.38 0.14 0.24 0.37 0.00 0.00 175.52 176.61 1gej h MET 244 N 0.32 0.30 -0.53 6.66 2.07 0.45 0.12 114.93 124.31 1gej h MET 244 Ca 0.06 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.73 1gej h MET 244 Cb 0.62 -0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 30.24 1gej h MET 244 CO 0.04 0.20 0.25 0.28 1.07 0.00 0.00 176.91 178.74 1gej h VAL 245 N 0.31 0.91 -0.53 -2.22 2.07 -1.20 -1.30 116.25 114.28 1gej h VAL 245 Ca 0.14 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1gej h VAL 245 Cb 0.08 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1gej h VAL 245 CO -0.12 0.09 -0.04 0.78 0.02 0.00 0.00 177.57 178.29 1gej h ASN 246 N 0.48 0.91 -0.74 0.57 2.35 -0.82 -2.18 115.58 116.15 1gej h ASN 246 Ca 0.24 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1gej h ASN 246 Cb 0.19 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1gej h ASN 246 CO -0.20 0.99 0.26 0.24 -1.65 0.00 0.00 177.43 177.07 1gej h MET 247 N 0.85 1.14 -0.13 0.81 2.86 -0.15 0.25 114.93 120.55 1gej h MET 247 Ca 0.15 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1gej h MET 247 Cb 0.56 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1gej h MET 247 CO 0.03 0.95 0.03 0.82 1.06 0.00 0.00 176.91 179.81 1gej h ILE 248 N 1.09 1.19 -0.43 -1.22 2.04 -1.09 0.34 117.51 119.43 1gej h ILE 248 Ca 0.24 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1gej h ILE 248 Cb 0.27 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1gej h ILE 248 CO -0.01 0.18 0.21 0.00 0.00 0.00 0.00 178.15 178.53 1gej h ALA 249 N 0.83 0.55 -0.63 1.87 0.00 -1.20 -2.21 119.26 118.48 1gej h ALA 249 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1gej h ALA 249 Cb 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1gej h ALA 249 CO 0.00 0.11 0.33 -0.07 0.00 0.00 0.00 179.25 179.62 1gej h LEU 250 N 0.55 0.78 -0.41 0.00 4.07 -0.40 -1.72 115.31 118.18 1gej h LEU 250 Ca 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1gej h LEU 250 Cb 0.11 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1gej h LEU 250 CO -0.02 0.65 0.19 1.23 -1.08 0.00 0.00 178.44 179.41 1gej h GLY 251 N 0.95 0.65 0.90 0.83 0.00 -0.39 -0.27 103.07 105.74 1gej h GLY 251 Ca 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1gej h GLY 251 CO -0.03 0.31 0.10 -2.08 0.00 0.00 0.00 176.54 174.83 1gej h VAL 252 N 0.53 1.18 -0.61 4.60 2.07 -1.07 -1.77 116.25 121.18 1gej h VAL 252 Ca 0.14 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1gej h VAL 252 Cb 0.13 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1gej h VAL 252 CO -0.02 0.19 0.33 0.00 0.02 0.00 0.00 177.57 178.10 1gej h ALA 253 N 0.93 0.78 -0.86 1.67 0.00 -1.21 -1.86 119.26 118.72 1gej h ALA 253 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gej h ALA 253 Cb 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1gej h ALA 253 CO -0.01 0.30 0.57 1.15 0.00 0.00 0.00 179.25 181.26 1gej h THR 254 N 0.83 1.20 -0.53 0.00 2.02 -0.87 0.95 112.91 116.52 1gej h THR 254 Ca 0.21 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 1gej h THR 254 Cb 0.05 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1gej h THR 254 CO -0.03 0.21 0.06 -0.07 0.37 0.00 0.00 175.52 176.05 1gej h LEU 255 N 1.15 0.81 -0.78 2.58 3.38 -0.94 -1.14 115.31 120.36 1gej h LEU 255 Ca 0.32 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1gej h LEU 255 Cb -0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1gej h LEU 255 CO -0.08 0.84 -0.03 0.00 0.09 0.00 0.00 178.44 179.27 1gej h ALA 256 N 1.25 0.98 -0.06 1.53 0.00 -0.57 -2.85 119.26 119.54 1gej h ALA 256 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1gej h ALA 256 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1gej h ALA 256 CO 0.01 0.62 -0.26 0.37 0.00 0.00 0.00 179.25 179.99 1gej h GLN 257 N 0.82 0.10 -2.94 0.00 5.75 -0.01 -3.34 115.11 115.50 1gej h GLN 257 Ca 0.15 -0.03 -0.61 0.00 -0.15 0.00 0.00 58.65 58.01 1gej h GLN 257 Cb 0.53 -0.01 -0.41 0.00 1.07 0.00 0.00 27.48 28.66 1gej h GLN 257 CO 0.03 0.36 -0.69 -1.01 -2.65 0.00 0.00 178.83 174.87 1gej s HIS 258 N -4.44 2.78 0.30 3.99 3.76 -0.51 -4.99 115.29 116.19 1gej s HIS 258 Ca -0.04 -2.99 0.07 0.00 -0.15 0.00 0.00 55.06 51.95 1gej s HIS 258 Cb 0.15 -2.21 0.81 0.00 1.11 0.00 0.00 32.58 32.43 1gej s HIS 258 CO 0.73 -0.65 1.71 -1.35 -0.85 0.00 0.00 174.74 174.33 1gej h PRO 259 N 5.71 0.48 -0.79 8.40 0.11 -1.68 -2.05 132.00 142.18 1gej h PRO 259 Ca 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1gej h PRO 259 Cb 0.82 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.79 1gej h PRO 259 CO 0.61 0.32 0.49 0.22 -0.21 0.00 0.00 178.00 179.43 1gej h ASP 260 N 0.49 0.93 0.39 -2.05 -0.00 -1.94 -0.42 116.42 113.83 1gej h ASP 260 Ca 0.60 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.03 57.44 1gej h ASP 260 Cb 1.14 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 40.23 1gej h ASP 260 CO -0.50 0.71 -0.60 1.56 -0.00 0.00 0.00 179.24 180.41 1gej h GLN 261 N 1.08 0.20 -0.43 0.28 4.20 -1.71 -1.46 115.11 117.26 1gej h GLN 261 Ca 0.29 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 1gej h GLN 261 Cb -0.07 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1gej h GLN 261 CO -0.06 0.74 -0.13 1.25 -0.67 0.00 0.00 178.83 179.97 1gej h LEU 262 N 0.15 0.77 -0.45 1.46 5.85 -1.16 -0.34 115.31 121.59 1gej h LEU 262 Ca -0.01 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1gej h LEU 262 Cb 1.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1gej h LEU 262 CO 0.09 0.92 0.26 0.00 -0.34 0.00 0.00 178.44 179.36 1gej h ALA 263 N 1.15 0.57 -0.58 1.25 0.00 -0.67 0.32 119.26 121.30 1gej h ALA 263 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1gej h ALA 263 Cb 0.61 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1gej h ALA 263 CO 0.04 0.08 0.20 1.96 0.00 0.00 0.00 179.25 181.53 1gej h GLN 264 N 0.59 0.89 -0.52 0.00 4.20 -0.82 -0.95 115.11 118.51 1gej h GLN 264 Ca 0.16 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1gej h GLN 264 Cb 0.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1gej h GLN 264 CO -0.03 0.79 0.08 1.25 -0.67 0.00 0.00 178.83 180.25 1gej h LEU 265 N 0.82 0.82 -0.56 1.46 5.85 -0.80 0.54 115.31 123.44 1gej h LEU 265 Ca 0.19 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1gej h LEU 265 Cb 0.25 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1gej h LEU 265 CO -0.01 0.87 0.37 0.11 -0.34 0.00 0.00 178.44 179.44 1gej h LYS 266 N 0.74 0.73 0.00 1.25 1.57 -0.73 -1.75 116.57 118.38 1gej h LYS 266 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1gej h LYS 266 Cb 0.40 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1gej h LYS 266 CO 0.01 0.49 -0.12 0.00 -0.57 0.00 0.00 179.45 179.25 1gej h ALA 267 N 1.20 1.00 -1.88 3.86 0.00 -0.87 -3.38 119.26 119.19 1gej h ALA 267 Ca 0.20 -0.11 -0.40 0.00 0.00 0.00 0.00 54.91 54.60 1gej h ALA 267 Cb -0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.38 1gej h ALA 267 CO -0.04 0.15 -0.76 1.21 0.00 0.00 0.00 179.25 179.82 1gej s ASN 268 N -6.01 0.62 0.09 0.00 2.47 0.16 -4.97 114.94 107.30 1gej s ASN 268 Ca 0.01 -2.22 0.06 0.00 0.42 0.00 0.00 52.86 51.13 1gej s ASN 268 Cb 0.09 0.49 0.33 0.00 -1.45 0.00 0.00 41.25 40.71 1gej s ASN 268 CO 0.61 -0.17 1.19 -2.65 -3.72 0.00 0.00 177.10 172.35 1gej n PRO 269 N 3.35 0.04 0.08 0.43 -0.02 -0.72 -0.98 135.00 137.18 1gej n PRO 269 Ca 0.20 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.32 1gej n PRO 269 Cb 0.49 -1.63 0.41 0.00 -0.02 0.00 0.00 33.50 32.75 1gej n PRO 269 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1gej n SER 270 N -1.71 0.39 -0.25 2.55 7.64 -1.26 -1.54 113.62 119.43 1gej n SER 270 Ca -0.00 0.61 0.15 0.00 1.01 0.00 0.00 58.87 60.63 1gej n SER 270 Cb 0.01 -0.69 0.72 0.00 -1.01 0.00 0.00 64.21 63.24 1gej n SER 270 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1gej n LEU 271 N -1.94 0.79 -0.13 -3.43 4.77 -0.15 -4.26 117.00 112.65 1gej n LEU 271 Ca 0.02 -0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 55.70 1gej n LEU 271 Cb 0.17 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1gej n LEU 271 CO 0.15 0.13 0.84 0.00 -1.33 0.00 0.00 177.39 177.18 1gej h ALA 272 N 4.18 0.38 -0.52 -1.18 0.00 -1.49 -0.83 119.26 119.80 1gej h ALA 272 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1gej h ALA 272 Cb 0.26 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1gej h ALA 272 CO 0.00 -0.40 0.14 -1.35 0.00 0.00 0.00 179.25 177.64 1gej h PRO 273 N 0.09 0.29 -0.06 0.00 0.11 -1.84 0.68 132.00 131.27 1gej h PRO 273 Ca 0.21 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 1gej h PRO 273 Cb 0.31 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1gej h PRO 273 CO -0.37 0.19 -0.52 -0.56 -0.21 0.00 0.00 178.00 176.52 1gej h GLN 274 N 0.30 0.15 -0.56 1.05 3.07 -1.76 -0.96 115.11 116.40 1gej h GLN 274 Ca 0.26 -0.09 -0.06 0.00 0.09 0.00 0.00 58.65 58.85 1gej h GLN 274 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 1gej h GLN 274 CO -0.30 0.64 0.12 0.35 0.09 0.00 0.00 178.83 179.72 1gej h PHE 275 N 0.12 0.95 -0.58 0.06 3.57 -0.31 -1.80 116.94 118.95 1gej h PHE 275 Ca 0.00 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.29 1gej h PHE 275 Cb 0.97 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1gej h PHE 275 CO 0.01 0.83 0.02 0.28 -2.23 0.00 0.00 178.31 177.23 1gej h VAL 276 N 0.80 1.26 -0.28 1.41 2.07 -0.61 -0.27 116.25 120.63 1gej h VAL 276 Ca 0.17 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1gej h VAL 276 Cb 0.37 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1gej h VAL 276 CO 0.01 0.39 0.17 -0.33 0.02 0.00 0.00 177.57 177.83 1gej h GLU 277 N 0.92 0.39 -0.56 1.57 4.39 -0.95 -0.72 114.58 119.62 1gej h GLU 277 Ca 0.17 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1gej h GLU 277 Cb 0.50 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1gej h GLU 277 CO 0.02 0.31 -0.01 1.49 -1.16 0.00 0.00 179.01 179.67 1gej h GLU 278 N 0.36 0.97 -0.55 2.33 4.57 -1.13 -2.65 114.58 118.47 1gej h GLU 278 Ca 0.10 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1gej h GLU 278 Cb 0.03 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1gej h GLU 278 CO -0.02 0.96 0.30 1.25 -1.18 0.00 0.00 179.01 180.32 1gej h LEU 279 N 0.89 0.69 -1.22 1.64 5.85 -0.70 0.15 115.31 122.61 1gej h LEU 279 Ca 0.16 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1gej h LEU 279 Cb 0.53 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1gej h LEU 279 CO 0.03 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.72 1gej h ARG 281 N 0.00 0.00 -0.34 0.00 2.43 -1.06 -3.36 114.38 112.04 1gej h ARG 281 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1gej h ARG 281 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1gej h ARG 281 CO 0.00 0.81 0.10 -0.92 -1.51 0.00 0.00 179.97 178.44 1gej h TYR 282 N -1.00 0.56 -3.62 2.20 3.20 -0.71 -3.35 116.97 114.25 1gej h TYR 282 Ca -0.21 -0.06 -0.73 0.00 3.14 0.00 0.00 58.73 60.87 1gej h TYR 282 Cb 1.06 -0.16 -0.32 0.00 1.54 0.00 0.00 36.73 38.85 1gej h TYR 282 CO 0.09 0.56 -0.22 -1.01 -1.64 0.00 0.00 178.16 175.94 1gej s HIS 283 N -5.35 3.52 -1.17 -3.82 3.76 0.04 -4.97 115.29 107.29 1gej s HIS 283 Ca -0.13 -2.44 -0.15 0.00 -0.15 0.00 0.00 55.06 52.18 1gej s HIS 283 Cb 0.09 -3.41 0.15 0.00 1.11 0.00 0.00 32.58 30.51 1gej s HIS 283 CO 0.75 -0.90 1.43 0.99 -0.85 0.00 0.00 174.74 176.17 1gej s THR 284 N 0.07 4.82 -0.73 1.30 2.01 -1.26 -4.53 115.64 117.32 1gej s THR 284 Ca 0.17 -2.31 0.14 0.00 0.31 0.00 0.00 61.69 59.99 1gej s THR 284 Cb -0.17 -4.94 0.14 0.00 0.01 0.00 0.00 72.50 67.54 1gej s THR 284 CO -0.05 -1.67 1.44 0.00 -0.69 0.00 0.00 174.62 173.64 1gej n ALA 285 N 6.28 1.38 -3.84 7.40 0.00 -1.26 -3.88 120.51 126.59 1gej n ALA 285 Ca 0.36 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1gej n ALA 285 Cb 0.44 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 1gej n ALA 285 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gej s SER 286 N -3.48 4.13 0.00 0.00 0.15 -1.26 -4.51 113.70 108.73 1gej s SER 286 Ca 0.03 -2.41 0.06 0.00 0.70 0.00 0.00 55.95 54.33 1gej s SER 286 Cb 0.06 -1.28 0.04 0.00 -1.71 0.00 0.00 66.02 63.13 1gej s SER 286 CO 0.21 -0.31 0.64 0.00 1.20 0.00 0.00 173.24 174.98 1gej n ALA 287 N 3.86 2.52 -1.19 5.45 0.00 -1.25 -4.64 120.51 125.26 1gej n ALA 287 Ca 0.05 -0.50 0.09 0.00 0.00 0.00 0.00 53.44 53.07 1gej n ALA 287 Cb 0.37 -0.22 0.16 0.00 0.00 0.00 0.00 19.45 19.77 1gej n ALA 287 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gej n LEU 288 N 0.17 2.53 -0.17 0.00 4.77 -1.26 -4.41 117.00 118.63 1gej n LEU 288 Ca 0.03 -3.28 0.12 0.00 -0.03 0.00 0.00 56.01 52.85 1gej n LEU 288 Cb 0.15 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1gej n LEU 288 CO 0.05 0.88 0.37 0.00 -1.33 0.00 0.00 177.39 177.36 1gej n ALA 289 N -1.32 3.68 -3.45 -1.18 0.00 -1.26 -4.68 120.51 112.30 1gej n ALA 289 Ca 0.17 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1gej n ALA 289 Cb 0.67 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 1gej n ALA 289 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gej s ILE 290 N -2.75 5.19 0.10 0.00 1.01 -1.26 -5.02 121.20 118.47 1gej s ILE 290 Ca 0.16 -2.99 0.07 0.00 0.00 0.00 0.00 60.65 57.90 1gej s ILE 290 Cb 0.18 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1gej s ILE 290 CO 0.66 -1.05 -0.19 -0.54 0.00 0.00 0.00 174.94 173.82 1gej s LYS 291 N -0.43 1.05 0.29 2.79 1.02 -1.26 -0.96 119.74 122.24 1gej s LYS 291 Ca 0.22 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 54.98 1gej s LYS 291 Cb -0.12 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 1gej s LYS 291 CO -0.08 0.28 0.51 1.03 -0.92 0.00 0.00 175.35 176.17 1gej s ARG 292 N -1.93 1.73 0.00 1.68 1.81 -0.27 -4.67 118.95 117.30 1gej s ARG 292 Ca 0.05 -1.42 0.04 0.00 -1.72 0.00 0.00 55.73 52.68 1gej s ARG 292 Cb -0.10 0.48 -0.01 0.00 -0.45 0.00 0.00 34.95 34.87 1gej s ARG 292 CO 0.04 -0.73 -0.14 0.99 -0.68 0.00 0.00 175.30 174.78 1gej s THR 293 N -3.55 1.10 -0.04 0.02 2.01 -0.78 -0.36 115.64 114.04 1gej s THR 293 Ca 0.24 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1gej s THR 293 Cb -0.01 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1gej s THR 293 CO 0.13 0.22 1.02 0.00 -0.69 0.00 0.00 174.62 175.29 1gej s ALA 294 N -0.47 3.29 0.10 7.40 0.00 -0.19 -0.98 121.76 130.92 1gej s ALA 294 Ca 0.04 0.49 0.13 0.00 0.00 0.00 0.00 51.96 52.62 1gej s ALA 294 Cb -0.06 -3.40 0.20 0.00 0.00 0.00 0.00 23.12 19.87 1gej s ALA 294 CO -0.00 -0.43 1.50 0.87 0.00 0.00 0.00 175.76 177.71 1gej h LYS 295 N 6.96 0.00 -3.44 0.00 1.57 -0.84 0.35 116.57 121.17 1gej h LYS 295 Ca -0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 1gej h LYS 295 Cb 1.19 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 1gej h LYS 295 CO 0.80 0.64 -0.01 -1.83 -0.57 0.00 0.00 179.45 178.48 1gej s GLU 296 N -3.19 1.57 0.33 3.15 -1.05 -1.24 -4.68 118.70 113.58 1gej s GLU 296 Ca 0.01 -1.12 -0.28 0.00 -0.15 0.00 0.00 54.97 53.43 1gej s GLU 296 Cb 0.10 0.51 -0.13 0.00 -0.44 0.00 0.00 34.13 34.17 1gej s GLU 296 CO 0.76 -0.67 1.19 -0.25 0.95 0.00 0.00 175.26 177.24 1gej n ASP 297 N -0.39 2.23 -3.75 0.83 10.43 -1.26 -4.16 116.55 120.48 1gej n ASP 297 Ca -0.04 1.19 -0.12 0.00 2.57 0.00 0.00 54.79 58.39 1gej n ASP 297 Cb 0.61 -1.42 -0.13 0.00 1.84 0.00 0.00 41.12 42.03 1gej n ASP 297 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1gej s VAL 298 N -1.09 -0.02 -0.11 2.53 0.11 0.14 -4.93 120.40 117.03 1gej s VAL 298 Ca 0.57 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.55 1gej s VAL 298 Cb -0.61 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1gej s VAL 298 CO 0.61 0.04 0.39 -0.04 -3.33 0.00 0.00 175.10 172.77 1gej s MET 299 N 0.83 4.21 -0.21 1.54 -1.94 -1.26 -0.25 119.30 122.22 1gej s MET 299 Ca -0.06 0.30 -0.03 0.00 -1.71 0.00 0.00 55.69 54.20 1gej s MET 299 Cb -0.07 -3.38 0.06 0.00 2.01 0.00 0.00 34.83 33.45 1gej s MET 299 CO -0.05 0.31 0.04 0.42 -0.01 0.00 0.00 175.02 175.73 1gej s ILE 300 N 0.19 0.57 0.00 2.53 1.01 -0.44 -4.98 121.20 120.08 1gej s ILE 300 Ca 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1gej s ILE 300 Cb -0.15 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1gej s ILE 300 CO 0.08 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.37 1gej n GLY 301 N 5.03 2.12 1.30 6.18 0.00 -1.26 -1.99 105.19 116.56 1gej n GLY 301 Ca -0.08 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.56 1gej n GLY 301 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gej n ASP 302 N 4.35 3.82 -4.52 1.61 5.68 -1.26 -4.92 116.55 121.31 1gej n ASP 302 Ca 0.00 -2.36 -0.28 0.00 -0.50 0.00 0.00 54.79 51.65 1gej n ASP 302 Cb 0.00 -0.51 -0.10 0.00 -1.14 0.00 0.00 41.12 39.36 1gej n ASP 302 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1gej s LYS 303 N -1.81 1.88 -0.24 0.11 -0.14 -0.84 -5.11 119.74 113.59 1gej s LYS 303 Ca 0.39 -1.26 -0.05 0.00 -1.36 0.00 0.00 55.97 53.70 1gej s LYS 303 Cb 0.26 -2.10 -0.01 0.00 -1.68 0.00 0.00 37.83 34.30 1gej s LYS 303 CO 0.18 0.45 -0.01 -1.17 -0.76 0.00 0.00 175.35 174.05 1gej s LEU 304 N -2.50 3.13 -0.33 3.17 2.96 -1.26 -1.33 118.68 122.51 1gej s LEU 304 Ca 0.21 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 1gej s LEU 304 Cb -0.09 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1gej s LEU 304 CO 0.12 -0.05 0.38 -0.69 -1.32 0.00 0.00 176.35 174.79 1gej s VAL 305 N 1.49 5.15 0.50 1.68 1.01 0.66 -4.96 120.40 125.93 1gej s VAL 305 Ca 0.05 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1gej s VAL 305 Cb -0.15 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1gej s VAL 305 CO -0.01 -0.06 0.94 -0.13 0.00 0.00 0.00 175.10 175.83 1gej s ARG 306 N 2.07 3.87 0.27 2.72 0.52 -1.26 -0.68 118.95 126.45 1gej s ARG 306 Ca 0.13 0.81 -0.28 0.00 -0.52 0.00 0.00 55.73 55.87 1gej s ARG 306 Cb -0.16 -2.19 -0.15 0.00 0.52 0.00 0.00 34.95 32.97 1gej s ARG 306 CO 0.12 -0.25 0.92 0.00 0.02 0.00 0.00 175.30 176.10 1gej n ALA 307 N -1.66 -0.75 -1.03 2.13 0.00 -1.26 -1.55 120.51 116.40 1gej n ALA 307 Ca 0.05 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 1gej n ALA 307 Cb 0.54 -1.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.05 1gej n ALA 307 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gej n ASN 308 N 1.39 -3.90 -4.90 0.00 3.02 0.12 -4.95 115.26 106.03 1gej n ASN 308 Ca 0.11 0.02 -0.33 0.00 -0.03 0.00 0.00 54.58 54.36 1gej n ASN 308 Cb 0.30 -1.49 -0.05 0.00 -0.61 0.00 0.00 39.78 37.94 1gej n ASN 308 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1gej s GLU 309 N -0.90 3.48 0.35 3.52 2.02 -0.60 -4.10 118.70 122.48 1gej s GLU 309 Ca 0.00 -0.27 -0.08 0.00 0.02 0.00 0.00 54.97 54.64 1gej s GLU 309 Cb 0.00 -3.07 -0.06 0.00 0.10 0.00 0.00 34.13 31.10 1gej s GLU 309 CO 0.00 0.65 0.68 0.20 0.02 0.00 0.00 175.26 176.81 1gej s GLY 310 N -2.00 1.92 -0.02 -1.39 0.00 -1.11 -1.02 107.32 103.70 1gej s GLY 310 Ca 0.29 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.68 1gej s GLY 310 CO 0.20 -0.19 -0.02 -0.42 0.00 0.00 0.00 173.10 172.67 1gej s ILE 311 N -2.24 0.29 -0.17 0.90 1.01 0.51 -0.41 121.20 121.08 1gej s ILE 311 Ca 0.48 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.08 1gej s ILE 311 Cb -0.10 -0.30 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1gej s ILE 311 CO 0.30 0.13 -0.20 -0.63 0.00 0.00 0.00 174.94 174.54 1gej s ILE 312 N 0.46 2.08 -0.39 2.92 1.01 0.13 -1.12 121.20 126.29 1gej s ILE 312 Ca -0.05 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1gej s ILE 312 Cb -0.08 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.59 1gej s ILE 312 CO -0.01 0.54 0.21 0.00 0.00 0.00 0.00 174.94 175.69 1gej s ALA 313 N 1.17 3.24 -0.69 9.38 0.00 -0.13 -0.83 121.76 133.90 1gej s ALA 313 Ca 0.02 -1.92 -0.27 0.00 0.00 0.00 0.00 51.96 49.79 1gej s ALA 313 Cb -0.14 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1gej s ALA 313 CO -0.10 -1.50 1.46 0.45 0.00 0.00 0.00 175.76 176.07 1gej s SER 314 N 1.78 5.90 0.53 0.00 0.15 -0.49 -4.44 113.70 117.12 1gej s SER 314 Ca 0.02 -0.16 0.31 0.00 0.70 0.00 0.00 55.95 56.81 1gej s SER 314 Cb -0.21 -2.55 1.37 0.00 -1.71 0.00 0.00 66.02 62.92 1gej s SER 314 CO 0.04 -1.99 2.00 -0.55 1.20 0.00 0.00 173.24 173.93 1gej h ASN 315 N 11.56 0.00 -0.25 5.45 -1.07 -1.88 -0.94 115.58 128.44 1gej h ASN 315 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.04 1gej h ASN 315 Cb 1.09 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.33 1gej h ASN 315 CO 1.25 0.08 -0.07 -0.61 0.07 0.00 0.00 177.43 178.15 1gej h GLN 316 N 0.00 0.49 -0.42 4.14 4.15 -1.88 -0.36 115.11 121.24 1gej h GLN 316 Ca -0.00 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1gej h GLN 316 Cb 0.50 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1gej h GLN 316 CO 0.01 0.72 0.00 1.03 -1.93 0.00 0.00 178.83 178.66 1gej h SER 317 N 0.24 0.72 -0.71 -0.69 0.87 -1.74 -2.76 113.55 109.48 1gej h SER 317 Ca 0.06 -0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1gej h SER 317 Cb 0.54 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1gej h SER 317 CO 0.03 0.85 0.47 0.00 -0.53 0.00 0.00 176.83 177.64 1gej h ALA 318 N 0.90 1.69 0.00 6.23 0.00 -1.04 0.33 119.26 127.37 1gej h ALA 318 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1gej h ALA 318 Cb 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gej h ALA 318 CO 0.02 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1gej n ASN 319 N -4.48 0.00 -0.25 0.00 3.02 -0.16 -2.06 115.26 111.34 1gej n ASN 319 Ca 0.10 0.21 0.03 0.00 -0.03 0.00 0.00 54.58 54.89 1gej n ASN 319 Cb 0.21 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.07 1gej n ASN 319 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1gej n ARG 320 N -1.38 2.82 -1.87 3.52 5.12 0.04 -4.78 116.66 120.12 1gej n ARG 320 Ca 0.08 -1.82 -0.40 0.00 -1.93 0.00 0.00 57.85 53.77 1gej n ARG 320 Cb 0.19 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 1gej n ARG 320 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1gej s ASP 321 N -1.20 5.40 0.52 0.55 -1.08 -0.77 -4.74 116.67 115.34 1gej s ASP 321 Ca 0.12 1.09 0.31 0.00 -0.52 0.00 0.00 52.55 53.54 1gej s ASP 321 Cb 0.08 -2.52 1.67 0.00 -1.46 0.00 0.00 42.92 40.69 1gej s ASP 321 CO 0.06 -2.14 1.93 1.05 0.52 0.00 0.00 175.17 176.58 1gej h GLU 322 N 14.98 0.00 0.00 4.34 9.09 -1.91 0.16 114.58 141.24 1gej h GLU 322 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 1gej h GLU 322 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1gej h GLU 322 CO 1.09 0.00 0.00 1.49 0.05 0.00 0.00 179.01 181.64 1gej h GLU 323 N 0.00 0.00 0.00 1.06 4.81 -1.97 -3.37 114.58 115.11 1gej h GLU 323 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1gej h GLU 323 Cb 0.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1gej h GLU 323 CO 0.00 0.00 -1.71 0.28 -0.73 0.00 0.00 179.01 176.85 1gej n VAL 324 N -2.81 0.71 -3.81 0.32 0.31 -0.11 -4.96 118.33 107.99 1gej n VAL 324 Ca 0.04 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.79 1gej n VAL 324 Cb 0.47 -1.37 -0.13 0.00 -0.91 0.00 0.00 33.84 31.91 1gej n VAL 324 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1gej s PHE 325 N -2.24 3.27 0.42 3.52 0.40 -0.30 -4.67 117.98 118.37 1gej s PHE 325 Ca -0.17 -1.61 -0.26 0.00 -0.60 0.00 0.00 56.93 54.29 1gej s PHE 325 Cb 0.06 -2.25 -0.09 0.00 0.51 0.00 0.00 43.02 41.25 1gej s PHE 325 CO 0.25 -0.76 1.39 -2.00 0.70 0.00 0.00 175.22 174.79 1gej s GLU 326 N 1.34 3.86 -1.19 0.44 2.12 -1.26 -2.62 118.70 121.40 1gej s GLU 326 Ca -0.03 2.34 -0.25 0.00 0.36 0.00 0.00 54.97 57.39 1gej s GLU 326 Cb -0.20 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 31.46 1gej s GLU 326 CO 0.01 -0.65 0.73 0.09 -0.54 0.00 0.00 175.26 174.90 1gej n ASN 327 N 0.04 -4.57 0.20 -1.70 4.13 -1.26 -4.83 115.26 107.26 1gej n ASN 327 Ca 0.04 -1.13 0.11 0.00 1.68 0.00 0.00 54.58 55.27 1gej n ASN 327 Cb 0.42 -2.66 0.66 0.00 -1.54 0.00 0.00 39.78 36.65 1gej n ASN 327 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1gej h PRO 328 N -2.19 0.00 -0.15 3.52 0.13 -1.79 -2.23 132.00 129.29 1gej h PRO 328 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1gej h PRO 328 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1gej h PRO 328 CO 0.50 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.02 1gej n ASP 329 N -4.49 1.17 -4.68 1.44 10.43 -1.26 -4.78 116.55 114.38 1gej n ASP 329 Ca -0.00 -1.72 -0.36 0.00 2.57 0.00 0.00 54.79 55.27 1gej n ASP 329 Cb 0.20 -0.10 -0.09 0.00 1.84 0.00 0.00 41.12 42.98 1gej n ASP 329 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1gej s GLU 330 N -1.81 4.11 -0.31 -1.24 2.12 -0.84 -5.06 118.70 115.68 1gej s GLU 330 Ca 0.27 -0.24 -0.24 0.00 0.36 0.00 0.00 54.97 55.12 1gej s GLU 330 Cb 0.14 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1gej s GLU 330 CO 0.21 0.13 0.82 0.12 -0.54 0.00 0.00 175.26 176.01 1gej s PHE 331 N 0.84 3.20 -0.27 5.30 5.36 -1.26 -4.99 117.98 126.15 1gej s PHE 331 Ca 0.08 0.86 -0.04 0.00 -0.96 0.00 0.00 56.93 56.87 1gej s PHE 331 Cb -0.13 -3.28 0.09 0.00 -0.34 0.00 0.00 43.02 39.37 1gej s PHE 331 CO 0.03 -0.59 0.12 1.21 -1.46 0.00 0.00 175.22 174.52 1gej s ASN 332 N 1.62 3.37 0.38 6.13 2.47 -1.26 -4.98 114.94 122.66 1gej s ASN 332 Ca 0.34 -1.20 0.26 0.00 0.42 0.00 0.00 52.86 52.69 1gej s ASN 332 Cb -0.14 -0.40 1.36 0.00 -1.45 0.00 0.00 41.25 40.62 1gej s ASN 332 CO 0.13 -0.42 1.80 0.00 -3.72 0.00 0.00 177.10 174.90 1gej h MET 333 N 8.37 0.00 -0.57 0.43 -0.00 -1.93 0.87 114.93 122.10 1gej h MET 333 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 1gej h MET 333 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.64 1gej h MET 333 CO 0.41 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 177.41 1gej n ASN 334 N -2.43 4.92 -4.58 -0.10 3.02 -1.26 -4.45 115.26 110.39 1gej n ASN 334 Ca -0.01 -2.65 -0.43 0.00 -0.03 0.00 0.00 54.58 51.45 1gej n ASN 334 Cb 0.09 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 38.66 1gej n ASN 334 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1gej n ARG 335 N 0.75 1.24 -3.04 3.52 0.63 0.30 -4.91 116.66 115.15 1gej n ARG 335 Ca 0.25 0.44 -0.43 0.00 -0.92 0.00 0.00 57.85 57.19 1gej n ARG 335 Cb 0.98 -1.85 -0.06 0.00 0.45 0.00 0.00 32.46 31.98 1gej n ARG 335 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1gej s LYS 336 N -1.68 3.33 0.17 -0.14 2.20 -1.26 -5.03 119.74 117.33 1gej s LYS 336 Ca 0.60 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 1gej s LYS 336 Cb -0.65 -3.95 -0.07 0.00 -1.51 0.00 0.00 37.83 31.65 1gej s LYS 336 CO 0.59 -1.07 1.07 -1.58 -0.36 0.00 0.00 175.35 174.00 1gej s TRP 337 N 3.04 3.65 0.93 4.03 0.52 -1.26 -4.93 118.94 124.92 1gej s TRP 337 Ca 0.26 1.65 -0.15 0.00 0.02 0.00 0.00 56.10 57.87 1gej s TRP 337 Cb -0.13 -3.22 0.18 0.00 -1.15 0.00 0.00 33.47 29.14 1gej s TRP 337 CO 0.21 -0.41 1.30 -1.25 0.02 0.00 0.00 176.95 176.81 1gej s PRO 338 N -0.33 0.89 0.46 4.98 0.04 -1.26 -4.96 135.00 134.82 1gej s PRO 338 Ca 0.49 -0.31 0.25 0.00 0.04 0.00 0.00 61.00 61.47 1gej s PRO 338 Cb -0.28 -1.87 0.94 0.00 0.04 0.00 0.00 34.50 33.33 1gej s PRO 338 CO 0.34 -2.26 1.83 -1.00 0.04 0.00 0.00 177.00 175.95 1gej h PRO 339 N -1.53 0.00 -6.59 0.56 0.13 -1.97 -3.44 132.00 119.16 1gej h PRO 339 Ca -0.45 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.16 1gej h PRO 339 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1gej h PRO 339 CO 0.43 0.18 0.59 -0.65 -0.23 0.00 0.00 178.00 178.32 1gej s GLN 340 N -3.60 4.44 0.15 0.86 1.11 -1.26 -4.99 119.66 116.37 1gej s GLN 340 Ca 0.01 1.88 -0.31 0.00 0.01 0.00 0.00 55.36 56.96 1gej s GLN 340 Cb 0.10 -3.27 -0.08 0.00 -1.01 0.00 0.00 33.01 28.74 1gej s GLN 340 CO 0.62 -0.19 1.35 -0.51 0.01 0.00 0.00 175.29 176.57 1gej s ASP 341 N 0.55 6.86 0.68 5.90 1.11 -1.26 -5.00 116.67 125.51 1gej s ASP 341 Ca 0.56 2.35 -0.15 0.00 0.18 0.00 0.00 52.55 55.49 1gej s ASP 341 Cb -0.32 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.08 1gej s ASP 341 CO 0.34 -0.60 1.14 -2.16 1.18 0.00 0.00 175.17 175.07 1gej s PRO 342 N 0.59 2.56 -0.36 8.23 0.04 -1.26 -4.95 135.00 139.85 1gej s PRO 342 Ca 0.61 1.52 0.07 0.00 0.04 0.00 0.00 61.00 63.24 1gej s PRO 342 Cb -0.36 -1.91 0.53 0.00 0.04 0.00 0.00 34.50 32.80 1gej s PRO 342 CO 0.34 -1.46 1.59 1.28 0.04 0.00 0.00 177.00 178.78 1gej n LEU 343 N -2.52 5.07 0.28 -3.56 4.77 -1.26 -4.71 117.00 115.07 1gej n LEU 343 Ca 0.11 -3.89 0.13 0.00 -0.03 0.00 0.00 56.01 52.33 1gej n LEU 343 Cb 0.51 -0.69 0.79 0.00 -2.33 0.00 0.00 43.42 41.71 1gej n LEU 343 CO 0.48 1.32 1.05 1.23 -1.33 0.00 0.00 177.39 180.14 1gej h GLY 344 N 1.19 0.00 -1.77 -0.72 0.00 -1.87 -2.12 103.07 97.78 1gej h GLY 344 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1gej h GLY 344 CO 0.68 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.91 1gej n PHE 345 N -3.90 1.01 -3.40 5.60 3.01 -1.26 -4.74 117.46 113.77 1gej n PHE 345 Ca -0.03 -0.82 0.00 0.00 1.01 0.00 0.00 57.45 57.61 1gej n PHE 345 Cb 0.15 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1gej n PHE 345 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gej n GLY 346 N -0.28 -1.70 3.45 1.37 0.00 -0.80 -0.88 105.19 106.34 1gej n GLY 346 Ca 0.21 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1gej n GLY 346 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gej s PHE 347 N 0.00 -0.56 0.00 1.61 5.36 -1.26 -4.75 117.98 118.38 1gej s PHE 347 Ca 0.00 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1gej s PHE 347 Cb 0.00 0.53 0.00 0.00 -0.34 0.00 0.00 43.02 43.21 1gej s PHE 347 CO 0.00 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.39 1gej n GLY 348 N -0.09 -1.84 0.36 13.12 0.00 -1.26 -3.76 105.19 111.72 1gej n GLY 348 Ca -0.17 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.54 1gej n GLY 348 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gej h ASP 349 N 0.00 0.48 0.29 1.61 3.45 -1.97 -1.67 116.42 118.61 1gej h ASP 349 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1gej h ASP 349 Cb 0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1gej h ASP 349 CO 0.00 0.28 -0.03 1.41 -1.57 0.00 0.00 179.24 179.33 1gej n HIS 350 N -4.49 0.00 -1.49 4.55 8.25 -1.26 -4.93 115.22 115.84 1gej n HIS 350 Ca 0.12 0.00 -0.53 0.00 -0.26 0.00 0.00 57.72 57.05 1gej n HIS 350 Cb 0.38 -0.15 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 1gej n HIS 350 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1gej n ARG 351 N -1.00 0.34 -0.98 -0.41 0.63 -0.63 -4.55 116.66 110.06 1gej n ARG 351 Ca 0.18 0.12 -0.39 0.00 -0.92 0.00 0.00 57.85 56.84 1gej n ARG 351 Cb 0.22 -1.48 -0.06 0.00 0.45 0.00 0.00 32.46 31.59 1gej n ARG 351 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gej h ILE 353 N 3.10 0.71 -0.48 0.00 2.10 -1.92 -2.54 117.51 118.48 1gej h ILE 353 Ca -0.23 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1gej h ILE 353 Cb 0.81 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 1gej h ILE 353 CO 0.58 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.70 1gej n ALA 354 N -2.38 3.39 -0.21 0.18 0.00 -1.26 -4.68 120.51 115.55 1gej n ALA 354 Ca -0.03 -1.95 0.02 0.00 0.00 0.00 0.00 53.44 51.48 1gej n ALA 354 Cb 0.13 -0.95 0.12 0.00 0.00 0.00 0.00 19.45 18.76 1gej n ALA 354 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1gej h GLU 355 N 3.26 0.19 -0.50 0.00 4.81 -1.80 0.51 114.58 121.05 1gej h GLU 355 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1gej h GLU 355 Cb 1.67 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1gej h GLU 355 CO 0.34 0.12 -0.20 0.45 -0.73 0.00 0.00 179.01 179.00 1gej h HIS 356 N 0.19 1.16 -0.23 0.92 -0.00 -1.83 -0.77 115.15 114.59 1gej h HIS 356 Ca 0.34 -0.28 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1gej h HIS 356 Cb 0.55 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1gej h HIS 356 CO -0.31 1.11 0.01 1.25 -0.00 0.00 0.00 177.93 179.99 1gej h LEU 357 N 0.88 0.40 -0.25 2.43 5.85 -1.58 -0.81 115.31 122.22 1gej h LEU 357 Ca 0.12 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1gej h LEU 357 Cb 0.78 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1gej h LEU 357 CO 0.06 0.60 0.12 0.00 -0.34 0.00 0.00 178.44 178.89 1gej h ALA 358 N 0.81 0.29 -0.56 1.25 0.00 0.09 0.50 119.26 121.64 1gej h ALA 358 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1gej h ALA 358 Cb 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1gej h ALA 358 CO 0.01 -0.28 0.16 0.87 0.00 0.00 0.00 179.25 180.01 1gej h LYS 359 N 0.25 0.85 -0.61 0.00 1.57 -1.09 -1.14 116.57 116.39 1gej h LYS 359 Ca 0.10 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1gej h LYS 359 Cb 0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1gej h LYS 359 CO -0.07 0.74 0.17 0.00 -0.57 0.00 0.00 179.45 179.72 1gej h ALA 360 N 1.36 0.81 -0.24 3.86 0.00 -0.45 0.13 119.26 124.72 1gej h ALA 360 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gej h ALA 360 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gej h ALA 360 CO -0.01 0.49 0.10 0.93 0.00 0.00 0.00 179.25 180.77 1gej h GLU 361 N 0.89 0.36 -0.37 0.00 5.08 -0.44 -0.72 114.58 119.38 1gej h GLU 361 Ca 0.20 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1gej h GLU 361 Cb 0.32 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1gej h GLU 361 CO -0.00 0.40 0.06 -0.07 -1.00 0.00 0.00 179.01 178.40 1gej h LEU 362 N 0.24 0.59 -0.89 1.33 3.38 -1.04 -0.64 115.31 118.29 1gej h LEU 362 Ca 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1gej h LEU 362 Cb 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1gej h LEU 362 CO -0.01 0.70 0.57 0.74 0.09 0.00 0.00 178.44 180.53 1gej h THR 363 N 0.46 1.23 -0.62 0.22 2.02 -0.67 0.58 112.91 116.13 1gej h THR 363 Ca 0.11 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1gej h THR 363 Cb 0.36 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1gej h THR 363 CO 0.01 0.23 0.09 0.74 0.37 0.00 0.00 175.52 176.96 1gej h THR 364 N 1.21 1.26 0.17 3.16 2.02 -0.89 -1.43 112.91 118.42 1gej h THR 364 Ca 0.32 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1gej h THR 364 Cb -0.11 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1gej h THR 364 CO -0.07 0.38 -0.08 0.58 0.37 0.00 0.00 175.52 176.70 1gej h VAL 365 N 0.94 0.88 0.00 3.16 2.07 -0.31 -2.72 116.25 120.27 1gej h VAL 365 Ca 0.19 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1gej h VAL 365 Cb 0.44 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1gej h VAL 365 CO 0.01 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.15 1gej n PHE 366 N -5.14 0.00 0.90 1.57 3.01 0.12 -0.30 117.46 117.62 1gej n PHE 366 Ca -0.09 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.47 1gej n PHE 366 Cb 0.16 -0.23 0.01 0.00 -0.01 0.00 0.00 39.48 39.41 1gej n PHE 366 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1gej n SER 367 N -1.23 2.07 0.00 4.37 3.41 -0.55 -4.62 113.62 117.06 1gej n SER 367 Ca 0.16 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1gej n SER 367 Cb 0.21 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1gej n SER 367 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1gej n THR 368 N 0.18 0.00 -0.26 6.66 -1.04 -1.00 -4.75 114.28 114.07 1gej n THR 368 Ca 0.09 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.07 1gej n THR 368 Cb 0.45 -0.54 0.02 0.00 -1.82 0.00 0.00 70.33 68.44 1gej n THR 368 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1gej h LEU 369 N 0.00 -1.20 -0.12 -4.42 5.85 -0.88 0.19 115.31 114.73 1gej h LEU 369 Ca 0.00 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1gej h LEU 369 Cb 0.87 0.62 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1gej h LEU 369 CO 0.00 -0.30 -0.02 -1.22 -0.34 0.00 0.00 178.44 176.56 1gej n TYR 370 N -5.45 0.00 0.05 1.25 4.02 -1.26 -0.77 117.16 115.00 1gej n TYR 370 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.73 1gej n TYR 370 Cb 0.37 -0.12 -0.15 0.00 -0.02 0.00 0.00 39.34 39.43 1gej n TYR 370 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1gej h GLN 371 N 0.30 0.36 0.09 -0.72 5.75 -1.32 -2.83 115.11 116.74 1gej h GLN 371 Ca 0.00 -0.62 -0.00 0.00 -0.15 0.00 0.00 58.65 57.88 1gej h GLN 371 Cb 0.19 0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1gej h GLN 371 CO 0.00 1.29 -0.04 -0.22 -2.65 0.00 0.00 178.83 177.21 1gej h LYS 372 N 0.07 -0.12 -3.20 1.69 1.63 -0.95 -3.39 116.57 112.31 1gej h LYS 372 Ca -0.36 0.01 -0.64 0.00 -0.85 0.00 0.00 60.65 58.81 1gej h LYS 372 Cb 2.06 0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 33.31 1gej h LYS 372 CO 0.15 0.37 -0.51 -0.06 -3.45 0.00 0.00 179.45 175.95 1gej s PHE 373 N -3.88 3.53 0.61 1.91 0.40 0.05 -4.93 117.98 115.66 1gej s PHE 373 Ca -0.15 -3.24 0.36 0.00 -0.60 0.00 0.00 56.93 53.30 1gej s PHE 373 Cb 0.01 -2.82 2.05 0.00 0.51 0.00 0.00 43.02 42.77 1gej s PHE 373 CO 0.59 -0.62 2.29 -1.35 0.70 0.00 0.00 175.22 176.84 1gej h PRO 374 N 5.77 0.00 -0.36 0.24 0.11 -1.70 -2.16 132.00 133.90 1gej h PRO 374 Ca 0.09 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 1gej h PRO 374 Cb 0.80 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1gej h PRO 374 CO 0.73 0.01 0.03 -0.25 -0.21 0.00 0.00 178.00 178.30 1gej n ASP 375 N -3.52 4.02 -4.70 -2.05 8.00 -1.26 -5.01 116.55 112.04 1gej n ASP 375 Ca -0.03 -3.13 -0.44 0.00 0.71 0.00 0.00 54.79 51.90 1gej n ASP 375 Cb 0.09 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 1gej n ASP 375 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1gej n LEU 376 N -0.43 3.60 -3.85 0.64 7.94 -0.81 -4.46 117.00 119.62 1gej n LEU 376 Ca 0.26 1.08 -0.12 0.00 -1.11 0.00 0.00 56.01 56.12 1gej n LEU 376 Cb 1.01 -1.51 -0.13 0.00 0.53 0.00 0.00 43.42 43.32 1gej n LEU 376 CO 0.21 -0.06 -0.28 -0.75 -1.11 0.00 0.00 177.39 175.41 1gej s LYS 377 N 0.83 0.11 -0.04 1.96 2.20 0.74 -4.98 119.74 120.57 1gej s LYS 377 Ca 0.75 0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 1gej s LYS 377 Cb -0.59 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 35.73 1gej s LYS 377 CO 0.37 -0.02 1.49 0.08 -0.36 0.00 0.00 175.35 176.92 1gej s VAL 378 N -0.06 3.69 -1.66 4.02 1.01 -1.26 -0.58 120.40 125.56 1gej s VAL 378 Ca -0.01 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1gej s VAL 378 Cb -0.01 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1gej s VAL 378 CO 0.00 -0.04 0.81 0.00 0.00 0.00 0.00 175.10 175.87 1gej n ALA 379 N 6.21 2.47 -2.53 5.51 0.00 0.87 -4.79 120.51 128.26 1gej n ALA 379 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 1gej n ALA 379 Cb 0.43 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1gej n ALA 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gej s VAL 380 N -1.66 0.32 0.21 0.00 0.11 -1.26 -4.98 120.40 113.14 1gej s VAL 380 Ca 0.00 -1.41 -0.32 0.00 -2.93 0.00 0.00 61.98 57.32 1gej s VAL 380 Cb 0.00 -0.98 -0.13 0.00 -1.53 0.00 0.00 36.38 33.75 1gej s VAL 380 CO 0.00 -0.71 1.64 -2.65 -3.33 0.00 0.00 175.10 170.05 1gej n PRO 381 N 0.80 2.55 -0.28 1.54 -0.02 -1.26 -4.82 135.00 133.51 1gej n PRO 381 Ca -0.18 0.92 0.28 0.00 -2.02 0.00 0.00 63.50 62.49 1gej n PRO 381 Cb 0.58 -2.72 0.65 0.00 -0.02 0.00 0.00 33.50 31.98 1gej n PRO 381 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1gej h LEU 382 N 6.04 0.18 -0.16 2.45 3.38 -1.99 1.01 115.31 126.22 1gej h LEU 382 Ca -0.44 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1gej h LEU 382 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1gej h LEU 382 CO 0.90 0.04 0.00 0.61 0.09 0.00 0.00 178.44 180.08 1gej n GLY 383 N -1.64 -1.06 0.86 0.83 0.00 -1.26 -2.45 105.19 100.47 1gej n GLY 383 Ca 0.23 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1gej n GLY 383 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gej n LYS 384 N -1.67 2.02 -1.65 1.61 4.76 0.35 -5.01 118.16 118.58 1gej n LYS 384 Ca 0.03 -1.90 -0.44 0.00 -2.87 0.00 0.00 58.31 53.13 1gej n LYS 384 Cb 0.18 -1.39 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 1gej n LYS 384 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1gej n ILE 385 N 1.10 1.70 -2.81 -0.18 5.41 -1.03 -4.88 119.36 118.66 1gej n ILE 385 Ca 0.14 -0.42 -0.43 0.00 1.00 0.00 0.00 62.75 63.04 1gej n ILE 385 Cb 0.49 -1.32 -0.03 0.00 -0.71 0.00 0.00 39.64 38.08 1gej n ILE 385 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1gej s ASN 386 N -0.24 6.57 0.71 4.38 2.47 -1.26 -5.02 114.94 122.56 1gej s ASN 386 Ca 0.60 -1.81 -0.09 0.00 0.42 0.00 0.00 52.86 51.98 1gej s ASN 386 Cb -0.65 -2.45 0.04 0.00 -1.45 0.00 0.00 41.25 36.74 1gej s ASN 386 CO 0.58 -1.22 1.06 -0.31 -3.72 0.00 0.00 177.10 173.49 1gej s TYR 387 N 3.46 3.11 0.75 0.43 1.51 -1.26 -0.89 117.35 124.46 1gej s TYR 387 Ca 0.37 0.73 -0.12 0.00 -1.01 0.00 0.00 57.07 57.03 1gej s TYR 387 Cb -0.04 -3.14 0.05 0.00 -0.11 0.00 0.00 41.96 38.72 1gej s TYR 387 CO -0.09 -1.32 1.11 0.95 -1.11 0.00 0.00 175.55 175.09 1gej s THR 388 N -3.31 3.06 0.38 -0.71 -4.23 -0.51 -4.57 115.64 105.74 1gej s THR 388 Ca 0.59 0.40 -0.26 0.00 -1.18 0.00 0.00 61.69 61.24 1gej s THR 388 Cb -0.11 -2.85 -0.12 0.00 1.34 0.00 0.00 72.50 70.77 1gej s THR 388 CO 0.48 -0.39 1.08 -2.65 -0.54 0.00 0.00 174.62 172.59 1gej n PRO 389 N -3.21 1.53 0.33 3.99 -0.02 -1.26 -4.82 135.00 131.53 1gej n PRO 389 Ca 0.10 0.54 0.21 0.00 -2.02 0.00 0.00 63.50 62.33 1gej n PRO 389 Cb 0.52 -2.07 1.10 0.00 -0.02 0.00 0.00 33.50 33.04 1gej n PRO 389 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1gej h LEU 390 N 1.85 0.00 -1.47 2.45 3.38 -1.92 -1.19 115.31 118.40 1gej h LEU 390 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gej h LEU 390 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1gej h LEU 390 CO 0.59 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.66 1gej n ASN 391 N -3.00 2.15 -4.60 -0.43 6.94 -1.26 -0.77 115.26 114.29 1gej n ASN 391 Ca -0.03 -2.07 -0.30 0.00 -0.02 0.00 0.00 54.58 52.17 1gej n ASN 391 Cb 0.15 -0.29 -0.09 0.00 -2.36 0.00 0.00 39.78 37.19 1gej n ASN 391 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1gej s ARG 392 N -1.56 2.06 0.67 -3.83 1.81 -0.45 -4.95 118.95 112.69 1gej s ARG 392 Ca 0.25 -2.26 -0.17 0.00 -1.72 0.00 0.00 55.73 51.82 1gej s ARG 392 Cb 0.14 -1.35 0.00 0.00 -0.45 0.00 0.00 34.95 33.29 1gej s ARG 392 CO 0.15 -0.30 1.25 -0.51 -0.68 0.00 0.00 175.30 175.22 1gej s ASP 393 N -3.77 4.53 0.44 0.23 1.01 -1.26 -4.79 116.67 113.06 1gej s ASP 393 Ca 0.17 2.50 -0.25 0.00 0.71 0.00 0.00 52.55 55.69 1gej s ASP 393 Cb 0.04 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1gej s ASP 393 CO 0.09 -2.05 1.32 0.54 0.21 0.00 0.00 175.17 175.28 1gej s VAL 394 N -1.62 2.50 0.00 -1.27 0.11 -1.26 -4.80 120.40 114.06 1gej s VAL 394 Ca 0.79 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 60.27 1gej s VAL 394 Cb -0.34 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1gej s VAL 394 CO 0.41 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1gej n GLY 395 N 0.63 -0.96 2.98 6.54 0.00 -1.26 -4.67 105.19 108.45 1gej n GLY 395 Ca 0.05 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 1gej n GLY 395 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gej s ILE 396 N -2.00 0.92 -0.04 -0.61 1.01 -1.26 -1.42 121.20 117.79 1gej s ILE 396 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 1gej s ILE 396 Cb 0.00 -0.87 -0.22 0.00 0.01 0.00 0.00 42.46 41.38 1gej s ILE 396 CO 0.00 0.31 1.09 0.58 0.00 0.00 0.00 174.94 176.91 1gej h VAL 397 N 6.01 1.52 -3.35 2.92 2.07 -1.26 -3.46 116.25 120.70 1gej h VAL 397 Ca -0.33 -1.74 -0.11 0.00 0.82 0.00 0.00 66.70 65.34 1gej h VAL 397 Cb 1.18 2.61 -0.18 0.00 -1.52 0.00 0.00 31.29 33.37 1gej h VAL 397 CO 0.48 0.47 -0.32 1.51 0.02 0.00 0.00 177.57 179.73 1gej s ASP 398 N -6.14 -0.07 -0.31 0.57 -4.77 -1.25 -4.89 116.67 99.81 1gej s ASP 398 Ca -0.16 -0.20 -0.01 0.00 -3.30 0.00 0.00 52.55 48.88 1gej s ASP 398 Cb 0.01 0.31 0.12 0.00 -1.09 0.00 0.00 42.92 42.28 1gej s ASP 398 CO 0.72 -0.54 0.23 -0.22 0.70 0.00 0.00 175.17 176.06 1gej s LEU 399 N -1.88 0.23 0.13 2.11 2.96 -1.26 -4.25 118.68 116.72 1gej s LEU 399 Ca -0.07 -1.23 -0.31 0.00 -0.22 0.00 0.00 54.13 52.30 1gej s LEU 399 Cb -0.02 0.07 -0.08 0.00 0.50 0.00 0.00 46.19 46.65 1gej s LEU 399 CO -0.02 -0.39 1.39 -2.84 -1.32 0.00 0.00 176.35 173.18 1gej s PRO 400 N 2.00 4.32 0.08 0.98 0.02 -1.26 -0.17 135.00 140.98 1gej s PRO 400 Ca 0.11 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.23 1gej s PRO 400 Cb -0.16 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 1gej s PRO 400 CO -0.27 -0.43 -0.06 0.14 -0.33 0.00 0.00 177.00 176.05 1gej s VAL 401 N 1.02 0.56 0.14 3.83 -7.23 0.46 -0.09 120.40 119.08 1gej s VAL 401 Ca 0.64 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 59.07 1gej s VAL 401 Cb -0.37 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1gej s VAL 401 CO 0.31 -0.84 -0.12 0.27 -0.31 0.00 0.00 175.10 174.40 1gej s ILE 402 N -3.42 1.28 0.00 -0.62 -0.00 0.26 -1.76 121.20 116.95 1gej s ILE 402 Ca 0.08 -1.91 0.00 0.00 -0.00 0.00 0.00 60.65 58.82 1gej s ILE 402 Cb 0.04 -1.70 0.00 0.00 -0.00 0.00 0.00 42.46 40.80 1gej s ILE 402 CO -0.05 -0.58 0.00 2.22 -0.00 0.00 0.00 174.94 176.52