#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfc s PRO 6 N 0.00 3.63 0.33 0.00 0.04 -1.26 -4.31 135.00 133.43 1jfc s PRO 6 Ca 0.00 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 1jfc s PRO 6 Cb 0.00 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1jfc s PRO 6 CO 0.00 -0.56 1.33 -1.12 0.04 0.00 0.00 177.00 176.69 1jfc s SER 7 N -2.50 6.73 0.00 6.66 0.01 -1.26 -0.71 113.70 122.64 1jfc s SER 7 Ca 0.64 2.72 0.02 0.00 1.31 0.00 0.00 55.95 60.65 1jfc s SER 7 Cb -0.15 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 1jfc s SER 7 CO 0.29 -0.57 -0.08 0.12 0.41 0.00 0.00 173.24 173.40 1jfc s PHE 8 N -1.09 0.71 0.65 2.43 5.36 -0.42 -4.35 117.98 121.27 1jfc s PHE 8 Ca 0.50 -0.17 -0.16 0.00 -0.96 0.00 0.00 56.93 56.13 1jfc s PHE 8 Cb -0.40 -0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 41.82 1jfc s PHE 8 CO 0.54 -0.01 1.16 -2.14 -1.46 0.00 0.00 175.22 173.30 1jfc s PRO 9 N -0.36 2.73 0.48 10.12 0.02 -1.26 -4.32 135.00 142.41 1jfc s PRO 9 Ca 0.02 1.63 -0.15 0.00 0.02 0.00 0.00 61.00 62.52 1jfc s PRO 9 Cb -0.04 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1jfc s PRO 9 CO -0.00 -1.35 0.92 -0.06 -0.33 0.00 0.00 177.00 176.18 1jfc s PHE 10 N -1.99 3.46 0.12 6.54 0.08 -1.26 -5.08 117.98 119.86 1jfc s PHE 10 Ca 0.72 1.33 -0.12 0.00 0.12 0.00 0.00 56.93 58.99 1jfc s PHE 10 Cb -0.26 -2.68 -0.06 0.00 -0.57 0.00 0.00 43.02 39.45 1jfc s PHE 10 CO 0.38 -0.30 0.48 -1.12 -0.10 0.00 0.00 175.22 174.57 1jfc s SER 11 N -3.13 6.73 0.60 1.36 0.01 -1.26 -4.78 113.70 113.22 1jfc s SER 11 Ca 0.56 0.94 -0.20 0.00 1.31 0.00 0.00 55.95 58.56 1jfc s SER 11 Cb -0.10 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1jfc s SER 11 CO 0.32 0.12 1.33 -0.13 0.41 0.00 0.00 173.24 175.29 1jfc s ARG 12 N -1.99 2.85 0.37 12.44 0.52 0.22 -4.18 118.95 129.19 1jfc s ARG 12 Ca 0.36 2.15 0.10 0.00 -0.52 0.00 0.00 55.73 57.82 1jfc s ARG 12 Cb -0.14 -2.05 0.73 0.00 0.52 0.00 0.00 34.95 34.01 1jfc s ARG 12 CO 0.19 -1.39 1.86 0.00 0.02 0.00 0.00 175.30 175.98 1jfc h ALA 13 N 1.01 1.43 -2.82 2.13 0.00 -1.44 -3.45 119.26 116.11 1jfc h ALA 13 Ca -0.51 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.20 1jfc h ALA 13 Cb 1.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1jfc h ALA 13 CO 0.55 0.41 0.35 -1.54 0.00 0.00 0.00 179.25 179.02 1jfc s SER 14 N -6.91 -0.09 0.14 0.00 1.04 -1.26 -5.01 113.70 101.61 1jfc s SER 14 Ca -0.04 -0.81 -0.26 0.00 0.48 0.00 0.00 55.95 55.31 1jfc s SER 14 Cb 0.15 0.71 -0.06 0.00 0.10 0.00 0.00 66.02 66.91 1jfc s SER 14 CO 0.73 -1.37 1.33 0.61 0.98 0.00 0.00 173.24 175.52 1jfc n GLY 15 N -0.53 -2.26 0.76 7.32 0.00 -1.26 -1.66 105.19 107.55 1jfc n GLY 15 Ca -0.06 1.02 0.12 0.00 0.00 0.00 0.00 46.02 47.10 1jfc n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jfc n PRO 16 N -5.04 2.01 -4.03 1.61 -0.04 -1.26 -4.73 135.00 123.51 1jfc n PRO 16 Ca 0.02 -1.50 -0.27 0.00 -0.04 0.00 0.00 63.50 61.70 1jfc n PRO 16 Cb 0.22 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 1jfc n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jfc s GLU 17 N -1.79 3.05 0.97 0.54 2.02 -0.66 -5.02 118.70 117.81 1jfc s GLU 17 Ca 0.34 -0.74 -0.11 0.00 0.02 0.00 0.00 54.97 54.48 1jfc s GLU 17 Cb 0.20 -2.76 0.17 0.00 0.10 0.00 0.00 34.13 31.84 1jfc s GLU 17 CO 0.30 0.52 1.09 -2.14 0.02 0.00 0.00 175.26 175.05 1jfc s PRO 18 N -2.93 0.61 0.30 0.39 0.02 -1.26 -3.71 135.00 128.41 1jfc s PRO 18 Ca 0.32 1.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.11 1jfc s PRO 18 Cb -0.11 -1.72 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 1jfc s PRO 18 CO 0.25 -2.76 1.22 -2.30 -0.33 0.00 0.00 177.00 173.08 1jfc n PRO 19 N -4.27 1.83 0.27 5.54 -0.02 -1.26 -1.82 135.00 135.28 1jfc n PRO 19 Ca 0.07 0.64 0.17 0.00 -2.02 0.00 0.00 63.50 62.36 1jfc n PRO 19 Cb 0.54 -2.17 0.67 0.00 -0.02 0.00 0.00 33.50 32.52 1jfc n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jfc h ALA 20 N 2.73 1.00 -0.50 3.55 0.00 -1.91 -3.20 119.26 120.94 1jfc h ALA 20 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1jfc h ALA 20 Cb 1.30 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1jfc h ALA 20 CO 0.65 0.02 0.27 0.93 0.00 0.00 0.00 179.25 181.12 1jfc h GLU 21 N 0.00 0.68 -0.62 0.00 3.07 -1.91 -3.28 114.58 112.52 1jfc h GLU 21 Ca -0.00 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 1jfc h GLU 21 Cb 0.53 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1jfc h GLU 21 CO 0.00 0.50 0.03 0.74 -1.40 0.00 0.00 179.01 178.88 1jfc h PHE 22 N 0.69 1.17 -0.72 4.33 0.05 -1.95 -1.84 116.94 118.66 1jfc h PHE 22 Ca 0.18 -0.19 -0.04 0.00 3.82 0.00 0.00 57.97 61.73 1jfc h PHE 22 Cb 0.02 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.63 1jfc h PHE 22 CO 0.00 1.02 0.29 0.00 -0.18 0.00 0.00 178.31 179.44 1jfc h ALA 23 N 1.00 1.15 -0.46 2.45 0.00 -1.81 0.19 119.26 121.77 1jfc h ALA 23 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jfc h ALA 23 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1jfc h ALA 23 CO 0.03 0.62 0.16 0.87 0.00 0.00 0.00 179.25 180.92 1jfc h LYS 24 N 1.05 0.71 -0.45 0.00 1.57 -1.61 -2.22 116.57 115.61 1jfc h LYS 24 Ca 0.24 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1jfc h LYS 24 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1jfc h LYS 24 CO -0.02 0.66 0.09 -0.07 -0.57 0.00 0.00 179.45 179.54 1jfc h LEU 25 N 0.61 0.70 -1.20 2.94 3.38 -0.90 -1.13 115.31 119.71 1jfc h LEU 25 Ca 0.15 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1jfc h LEU 25 Cb 0.24 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1jfc h LEU 25 CO -0.01 0.76 0.56 0.03 0.09 0.00 0.00 178.44 179.87 1jfc h ARG 26 N 0.61 0.97 -0.05 1.13 3.08 -0.86 0.14 114.38 119.39 1jfc h ARG 26 Ca 0.14 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 59.89 1jfc h ARG 26 Cb 0.35 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1jfc h ARG 26 CO 0.00 0.64 -0.92 0.00 -1.07 0.00 0.00 179.97 178.63 1jfc h ALA 27 N 1.52 0.28 0.00 0.04 0.00 -1.05 -3.42 119.26 116.63 1jfc h ALA 27 Ca 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jfc h ALA 27 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jfc h ALA 27 CO -0.12 0.72 -0.32 0.25 0.00 0.00 0.00 179.25 179.78 1jfc n THR 28 N -3.85 0.00 -2.73 0.00 -2.24 -0.46 -4.94 114.28 100.06 1jfc n THR 28 Ca -0.08 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 1jfc n THR 28 Cb 0.82 0.68 0.06 0.00 -2.10 0.00 0.00 70.33 69.79 1jfc n THR 28 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jfc n ASN 29 N -0.83 -2.54 0.29 3.42 5.15 0.35 -5.03 115.26 116.07 1jfc n ASN 29 Ca 0.00 -3.04 0.16 0.00 -0.60 0.00 0.00 54.58 51.10 1jfc n ASN 29 Cb 0.00 1.63 0.87 0.00 -0.53 0.00 0.00 39.78 41.75 1jfc n ASN 29 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jfc h PRO 30 N 3.73 0.00 -4.39 1.20 0.13 -1.45 -3.37 132.00 127.85 1jfc h PRO 30 Ca -0.16 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.37 1jfc h PRO 30 Cb 1.07 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.83 1jfc h PRO 30 CO 0.21 0.06 -0.80 0.08 -0.23 0.00 0.00 178.00 177.32 1jfc s VAL 31 N -4.14 1.46 0.13 1.56 1.01 -1.26 -2.42 120.40 116.75 1jfc s VAL 31 Ca -0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1jfc s VAL 31 Cb 0.13 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1jfc s VAL 31 CO 0.53 0.06 0.34 -0.94 0.00 0.00 0.00 175.10 175.09 1jfc s SER 32 N 1.46 -0.09 0.09 3.32 1.04 -0.90 -4.92 113.70 113.69 1jfc s SER 32 Ca -0.02 -0.52 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 1jfc s SER 32 Cb -0.17 0.44 -0.07 0.00 0.10 0.00 0.00 66.02 66.33 1jfc s SER 32 CO -0.07 -0.85 0.53 -1.10 0.98 0.00 0.00 173.24 172.73 1jfc s GLN 33 N -3.86 4.07 0.22 4.02 -0.21 -1.26 0.26 119.66 122.91 1jfc s GLN 33 Ca 0.07 0.59 0.10 0.00 0.02 0.00 0.00 55.36 56.13 1jfc s GLN 33 Cb 0.03 -3.13 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 1jfc s GLN 33 CO -0.08 0.59 -0.18 0.14 -2.12 0.00 0.00 175.29 173.64 1jfc s VAL 34 N -1.23 2.04 -0.18 1.09 -7.23 0.09 -4.35 120.40 110.64 1jfc s VAL 34 Ca 0.31 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1jfc s VAL 34 Cb -0.17 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1jfc s VAL 34 CO 0.18 -0.44 0.04 -0.75 -0.31 0.00 0.00 175.10 173.82 1jfc s LYS 35 N -3.36 3.91 0.64 4.82 2.20 0.12 -1.47 119.74 126.60 1jfc s LYS 35 Ca 0.24 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 1jfc s LYS 35 Cb -0.04 -3.15 0.07 0.00 -1.51 0.00 0.00 37.83 33.21 1jfc s LYS 35 CO 0.10 0.27 0.89 -0.51 -0.36 0.00 0.00 175.35 175.74 1jfc s LEU 36 N 0.36 3.10 0.55 5.43 1.43 0.10 -1.30 118.68 128.34 1jfc s LEU 36 Ca 0.01 -0.07 0.23 0.00 -1.03 0.00 0.00 54.13 53.27 1jfc s LEU 36 Cb -0.13 -2.58 1.45 0.00 0.03 0.00 0.00 46.19 44.96 1jfc s LEU 36 CO 0.01 -1.48 2.10 2.19 0.23 0.00 0.00 176.35 179.39 1jfc h PHE 37 N -0.25 0.00 -0.32 0.29 -5.15 -1.80 -0.28 116.94 109.43 1jfc h PHE 37 Ca -0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 1jfc h PHE 37 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 1jfc h PHE 37 CO 0.15 0.00 0.00 -0.40 -2.00 0.00 0.00 178.31 176.06 1jfc n ASP 38 N -4.26 2.43 0.00 -0.68 3.85 -1.26 -4.92 116.55 111.72 1jfc n ASP 38 Ca 0.02 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 1jfc n ASP 38 Cb 0.31 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1jfc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jfc n GLY 39 N 1.28 1.28 3.81 6.12 0.00 -0.12 -5.05 105.19 112.51 1jfc n GLY 39 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1jfc n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jfc s SER 40 N -3.09 4.52 -0.05 1.61 1.04 -1.26 -4.75 113.70 111.72 1jfc s SER 40 Ca 0.00 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.74 1jfc s SER 40 Cb 0.00 -2.00 -0.00 0.00 0.10 0.00 0.00 66.02 64.12 1jfc s SER 40 CO 0.00 -1.95 -0.17 -0.76 0.98 0.00 0.00 173.24 171.34 1jfc s LEU 41 N -5.75 1.89 0.14 2.42 1.43 -1.26 -0.72 118.68 116.82 1jfc s LEU 41 Ca 0.61 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1jfc s LEU 41 Cb -0.14 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1jfc s LEU 41 CO 0.54 0.14 -0.22 0.00 0.23 0.00 0.00 176.35 177.04 1jfc s ALA 42 N 0.13 2.07 -0.07 4.21 0.00 -0.54 -4.50 121.76 123.07 1jfc s ALA 42 Ca -0.06 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.23 1jfc s ALA 42 Cb -0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1jfc s ALA 42 CO 0.03 0.38 0.85 -1.58 0.00 0.00 0.00 175.76 175.44 1jfc s TRP 43 N -1.42 3.57 -0.24 0.00 0.52 0.17 -0.73 118.94 120.81 1jfc s TRP 43 Ca 0.12 1.44 -0.09 0.00 0.02 0.00 0.00 56.10 57.59 1jfc s TRP 43 Cb -0.09 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 1jfc s TRP 43 CO 0.06 -0.04 0.11 -1.17 0.02 0.00 0.00 176.95 175.92 1jfc s LEU 44 N 1.27 3.74 -0.16 2.99 2.96 0.14 -0.21 118.68 129.42 1jfc s LEU 44 Ca 0.44 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1jfc s LEU 44 Cb -0.19 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1jfc s LEU 44 CO 0.20 0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.49 1jfc s VAL 45 N 1.32 3.54 0.00 1.68 1.01 -0.27 -2.11 120.40 125.57 1jfc s VAL 45 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1jfc s VAL 45 Cb -0.15 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1jfc s VAL 45 CO 0.05 0.49 0.00 0.35 0.00 0.00 0.00 175.10 175.99 1jfc n THR 46 N 3.71 0.00 -3.42 3.92 -2.24 -1.01 -1.04 114.28 114.20 1jfc n THR 46 Ca -0.18 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1jfc n THR 46 Cb 0.52 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1jfc n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jfc s LYS 47 N -1.84 3.94 0.20 -0.78 -0.14 -1.26 -3.36 119.74 116.50 1jfc s LYS 47 Ca 0.00 0.43 -0.11 0.00 -1.36 0.00 0.00 55.97 54.93 1jfc s LYS 47 Cb 0.00 -3.01 0.24 0.00 -1.68 0.00 0.00 37.83 33.38 1jfc s LYS 47 CO 0.00 0.54 1.72 1.25 -0.76 0.00 0.00 175.35 178.09 1jfc h HIS 48 N 3.81 0.21 -0.94 3.18 -0.00 -1.87 0.20 115.15 119.74 1jfc h HIS 48 Ca -0.49 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 59.92 1jfc h HIS 48 Cb 1.20 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.55 1jfc h HIS 48 CO 0.66 0.01 0.61 1.57 -0.00 0.00 0.00 177.93 180.78 1jfc h LYS 49 N 0.27 1.24 -0.01 5.26 2.10 -1.95 -1.21 116.57 122.28 1jfc h LYS 49 Ca 0.28 -0.08 -0.21 0.00 -2.00 0.00 0.00 60.65 58.64 1jfc h LYS 49 Cb 0.38 -0.28 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1jfc h LYS 49 CO -0.35 0.83 -0.89 -0.44 -2.00 0.00 0.00 179.45 176.61 1jfc h ASP 50 N 1.27 0.42 -0.61 7.07 3.32 -1.70 -2.11 116.42 124.08 1jfc h ASP 50 Ca 0.34 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1jfc h ASP 50 Cb -0.13 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1jfc h ASP 50 CO -0.07 1.12 0.26 0.58 -1.72 0.00 0.00 179.24 179.41 1jfc h VAL 51 N 0.19 1.23 -0.77 -1.35 2.07 -0.58 -0.97 116.25 116.05 1jfc h VAL 51 Ca -0.06 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1jfc h VAL 51 Cb 1.51 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1jfc h VAL 51 CO 0.15 0.27 0.47 0.00 0.02 0.00 0.00 177.57 178.48 1jfc h PHE 53 N 1.05 0.15 -0.59 0.00 3.57 -1.02 -2.31 116.94 117.80 1jfc h PHE 53 Ca 0.28 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1jfc h PHE 53 Cb -0.05 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1jfc h PHE 53 CO -0.01 0.09 0.37 0.28 -2.23 0.00 0.00 178.31 176.81 1jfc h VAL 54 N 0.18 1.09 0.00 1.41 2.07 -0.87 -0.73 116.25 119.40 1jfc h VAL 54 Ca 0.06 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1jfc h VAL 54 Cb 0.01 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1jfc h VAL 54 CO -0.04 0.13 -0.10 0.00 0.02 0.00 0.00 177.57 177.58 1jfc h ALA 55 N 1.25 1.43 0.00 1.67 0.00 -0.90 -3.25 119.26 119.46 1jfc h ALA 55 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jfc h ALA 55 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jfc h ALA 55 CO -0.08 0.13 -0.65 0.25 0.00 0.00 0.00 179.25 178.89 1jfc n THR 56 N -3.84 0.00 -2.08 0.00 -2.24 -0.89 -4.54 114.28 100.69 1jfc n THR 56 Ca -0.02 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1jfc n THR 56 Cb 0.20 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1jfc n THR 56 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jfc s SER 57 N -2.09 6.73 0.00 3.42 0.15 -0.31 -4.87 113.70 116.73 1jfc s SER 57 Ca 0.01 2.42 0.28 0.00 0.70 0.00 0.00 55.95 59.37 1jfc s SER 57 Cb 0.06 -2.59 1.53 0.00 -1.71 0.00 0.00 66.02 63.31 1jfc s SER 57 CO 0.34 -0.73 2.00 -0.62 1.20 0.00 0.00 173.24 175.43 1jfc n GLU 58 N 4.09 0.59 -0.00 5.44 1.02 -1.26 -2.43 120.64 128.08 1jfc n GLU 58 Ca 0.13 0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 1jfc n GLU 58 Cb 0.41 -1.50 0.66 0.00 -0.02 0.00 0.00 31.44 30.99 1jfc n GLU 58 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jfc n LYS 59 N -1.18 1.43 -4.55 3.49 5.02 -1.26 -4.87 118.16 116.25 1jfc n LYS 59 Ca 0.16 -0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 55.53 1jfc n LYS 59 Cb 0.17 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.58 1jfc n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jfc s LEU 60 N -1.96 2.50 0.06 -0.35 1.43 -1.02 -0.63 118.68 118.71 1jfc s LEU 60 Ca 0.41 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1jfc s LEU 60 Cb 0.21 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 1jfc s LEU 60 CO 0.34 0.22 -0.21 -0.55 0.23 0.00 0.00 176.35 176.38 1jfc s SER 61 N -1.73 2.47 0.00 2.29 0.15 -0.12 -4.91 113.70 111.85 1jfc s SER 61 Ca 0.15 -0.56 0.26 0.00 0.70 0.00 0.00 55.95 56.50 1jfc s SER 61 Cb -0.10 -0.19 0.69 0.00 -1.71 0.00 0.00 66.02 64.71 1jfc s SER 61 CO 0.06 0.13 1.53 0.29 1.20 0.00 0.00 173.24 176.45 1jfc n LYS 62 N 1.65 1.64 -2.18 5.44 5.02 -1.26 -1.16 118.16 127.31 1jfc n LYS 62 Ca -0.18 -1.12 -0.42 0.00 -2.02 0.00 0.00 58.31 54.57 1jfc n LYS 62 Cb 0.53 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1jfc n LYS 62 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jfc s VAL 63 N -2.13 3.56 -1.13 -0.18 1.01 -1.24 -4.68 120.40 115.61 1jfc s VAL 63 Ca 0.31 0.99 0.28 0.00 0.00 0.00 0.00 61.98 63.56 1jfc s VAL 63 Cb 0.20 -3.64 0.22 0.00 0.00 0.00 0.00 36.38 33.16 1jfc s VAL 63 CO 0.38 0.01 1.76 0.54 0.00 0.00 0.00 175.10 177.79 1jfc n ARG 64 N 5.16 0.14 0.00 2.72 1.74 -1.26 -2.66 116.66 122.49 1jfc n ARG 64 Ca 0.13 -0.04 0.15 0.00 -0.77 0.00 0.00 57.85 57.32 1jfc n ARG 64 Cb 0.43 -1.50 0.72 0.00 -1.02 0.00 0.00 32.46 31.09 1jfc n ARG 64 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jfc n THR 65 N -1.39 0.00 -2.56 0.55 -2.24 -1.26 -4.80 114.28 102.58 1jfc n THR 65 Ca 0.08 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1jfc n THR 65 Cb 0.32 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1jfc n THR 65 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jfc s ARG 66 N -2.23 4.43 0.25 -0.78 0.52 -1.09 -4.98 118.95 115.07 1jfc s ARG 66 Ca 0.37 1.57 -0.31 0.00 -0.52 0.00 0.00 55.73 56.84 1jfc s ARG 66 Cb 0.21 -3.49 -0.11 0.00 0.52 0.00 0.00 34.95 32.07 1jfc s ARG 66 CO 0.41 -0.30 1.61 -1.14 0.02 0.00 0.00 175.30 175.91 1jfc s GLN 67 N 1.69 4.15 0.00 3.54 0.74 -1.26 -1.73 119.66 126.79 1jfc s GLN 67 Ca 0.54 2.54 0.00 0.00 0.05 0.00 0.00 55.36 58.48 1jfc s GLN 67 Cb -0.23 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.82 1jfc s GLN 67 CO 0.24 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.74 1jfc n GLY 68 N 2.82 0.64 3.74 2.59 0.00 -1.26 -4.69 105.19 109.04 1jfc n GLY 68 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1jfc n GLY 68 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jfc s PHE 69 N -2.05 2.84 -1.25 1.61 5.36 -0.71 -2.72 117.98 121.06 1jfc s PHE 69 Ca 0.00 0.69 -0.16 0.00 -0.96 0.00 0.00 56.93 56.49 1jfc s PHE 69 Cb 0.00 -4.05 0.11 0.00 -0.34 0.00 0.00 43.02 38.74 1jfc s PHE 69 CO 0.00 -3.67 1.59 -1.25 -1.46 0.00 0.00 175.22 170.44 1jfc s PRO 70 N 0.04 4.02 0.17 10.12 0.04 -1.26 -4.96 135.00 143.16 1jfc s PRO 70 Ca 0.66 -2.22 -0.30 0.00 0.04 0.00 0.00 61.00 59.18 1jfc s PRO 70 Cb -0.47 -5.32 -0.08 0.00 0.04 0.00 0.00 34.50 28.67 1jfc s PRO 70 CO 0.42 -2.04 1.21 -1.21 0.04 0.00 0.00 177.00 175.42 1jfc s GLU 71 N 3.10 4.47 0.00 4.56 0.41 -1.26 -4.94 118.70 125.04 1jfc s GLU 71 Ca 0.49 1.88 0.22 0.00 -0.41 0.00 0.00 54.97 57.14 1jfc s GLU 71 Cb 0.01 -3.25 -0.15 0.00 -1.78 0.00 0.00 34.13 28.95 1jfc s GLU 71 CO 0.04 -0.13 0.96 1.28 -0.49 0.00 0.00 175.26 176.92 1jfc n LEU 72 N 2.73 1.28 -3.83 1.80 4.77 -1.26 -4.71 117.00 117.79 1jfc n LEU 72 Ca 0.05 -0.56 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 1jfc n LEU 72 Cb 0.45 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1jfc n LEU 72 CO 0.56 0.28 0.06 -0.94 -1.33 0.00 0.00 177.39 176.02 1jfc s SER 73 N -2.85 -0.06 0.25 -1.43 1.04 -1.26 -4.55 113.70 104.84 1jfc s SER 73 Ca 0.11 -0.64 -0.06 0.00 0.48 0.00 0.00 55.95 55.84 1jfc s SER 73 Cb 0.17 0.45 0.26 0.00 0.10 0.00 0.00 66.02 67.00 1jfc s SER 73 CO 0.78 -0.88 1.92 0.00 0.98 0.00 0.00 173.24 176.04 1jfc h ALA 74 N 2.48 1.26 -0.10 5.32 0.00 -1.99 -2.27 119.26 123.96 1jfc h ALA 74 Ca -0.32 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1jfc h ALA 74 Cb 1.23 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1jfc h ALA 74 CO 0.47 0.64 -0.21 0.66 0.00 0.00 0.00 179.25 180.82 1jfc h SER 75 N 1.34 0.16 -0.39 0.00 4.64 -2.00 -2.45 113.55 114.84 1jfc h SER 75 Ca 0.37 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 1jfc h SER 75 Cb -0.14 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1jfc h SER 75 CO -0.08 0.38 -0.07 1.23 -0.87 0.00 0.00 176.83 177.42 1jfc h GLY 76 N 0.82 0.80 1.08 -0.77 0.00 -1.84 -1.72 103.07 101.45 1jfc h GLY 76 Ca 0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1jfc h GLY 76 CO 0.03 0.58 0.49 1.70 0.00 0.00 0.00 176.54 179.34 1jfc h LYS 77 N 0.55 1.20 -0.12 4.80 3.64 -1.03 -2.16 116.57 123.45 1jfc h LYS 77 Ca 0.10 -0.13 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1jfc h LYS 77 Cb 0.57 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1jfc h LYS 77 CO 0.03 0.87 -0.66 0.37 -2.27 0.00 0.00 179.45 177.79 1jfc h GLN 78 N 1.21 0.46 0.00 1.90 -0.00 -1.09 -3.08 115.11 114.51 1jfc h GLN 78 Ca 0.31 -0.34 -0.03 0.00 -0.00 0.00 0.00 58.65 58.58 1jfc h GLN 78 Cb 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.55 1jfc h GLN 78 CO -0.05 0.97 -0.14 0.00 0.00 0.00 0.00 178.83 179.60 1jfc h ALA 79 N 0.95 1.47 0.00 3.38 0.00 -1.02 -2.39 119.26 121.65 1jfc h ALA 79 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jfc h ALA 79 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jfc h ALA 79 CO 0.12 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1jfc n ALA 80 N -2.38 1.49 0.22 0.00 0.00 -0.84 -2.69 120.51 116.31 1jfc n ALA 80 Ca -0.02 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1jfc n ALA 80 Cb 0.23 -1.33 0.24 0.00 0.00 0.00 0.00 19.45 18.59 1jfc n ALA 80 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jfc h LYS 81 N 0.00 0.00 -7.55 0.00 1.79 -1.57 -3.44 116.57 105.80 1jfc h LYS 81 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 1jfc h LYS 81 Cb 0.25 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 30.99 1jfc h LYS 81 CO 0.00 0.08 0.41 0.00 -1.08 0.00 0.00 179.45 178.86 1jfc s ALA 82 N -3.27 2.76 0.12 3.86 0.00 -1.09 -4.96 121.76 119.18 1jfc s ALA 82 Ca 0.05 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.20 1jfc s ALA 82 Cb 0.06 -2.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.08 1jfc s ALA 82 CO 0.66 -1.42 1.82 1.17 0.00 0.00 0.00 175.76 177.98 1jfc n LYS 83 N -3.17 2.73 -2.49 0.00 4.81 -1.26 -4.93 118.16 113.84 1jfc n LYS 83 Ca 0.07 0.99 -0.34 0.00 -0.87 0.00 0.00 58.31 58.17 1jfc n LYS 83 Cb 0.59 -2.87 -0.03 0.00 0.02 0.00 0.00 35.03 32.73 1jfc n LYS 83 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1jfc s PRO 84 N 2.54 3.79 0.58 1.64 0.04 -1.26 -5.07 135.00 137.26 1jfc s PRO 84 Ca 0.82 1.29 0.09 0.00 0.04 0.00 0.00 61.00 63.23 1jfc s PRO 84 Cb -0.50 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.02 1jfc s PRO 84 CO 0.37 -0.43 0.71 0.95 0.04 0.00 0.00 177.00 178.64 1jfc s THR 85 N -2.11 1.96 0.43 1.26 -4.23 -1.26 -5.02 115.64 106.68 1jfc s THR 85 Ca 0.66 -1.12 0.25 0.00 -1.18 0.00 0.00 61.69 60.30 1jfc s THR 85 Cb -0.15 -2.08 0.28 0.00 1.34 0.00 0.00 72.50 71.88 1jfc s THR 85 CO 0.22 0.00 2.07 2.19 -0.54 0.00 0.00 174.62 178.56 1jfc h PHE 86 N 0.28 0.00 -0.82 3.99 -5.15 -1.93 -1.65 116.94 111.67 1jfc h PHE 86 Ca -0.31 0.00 0.20 0.00 -0.20 0.00 0.00 57.97 57.67 1jfc h PHE 86 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.42 1jfc h PHE 86 CO 0.57 0.13 0.56 -0.24 -2.00 0.00 0.00 178.31 177.33 1jfc h VAL 87 N 0.00 0.67 -0.39 0.88 3.04 -1.95 -2.16 116.25 116.33 1jfc h VAL 87 Ca -0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1jfc h VAL 87 Cb 0.32 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1jfc h VAL 87 CO 0.02 0.04 0.00 0.47 -1.01 0.00 0.00 177.57 177.09 1jfc n ASP 88 N -4.42 3.59 -4.94 3.17 8.00 -0.62 -5.00 116.55 116.34 1jfc n ASP 88 Ca 0.17 -2.38 -0.27 0.00 0.71 0.00 0.00 54.79 53.01 1jfc n ASP 88 Cb 0.73 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 1jfc n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1jfc s MET 89 N -1.69 3.46 0.42 -1.24 -1.94 -0.81 -3.59 119.30 113.91 1jfc s MET 89 Ca 0.35 -0.50 0.08 0.00 -1.71 0.00 0.00 55.69 53.91 1jfc s MET 89 Cb 0.23 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1jfc s MET 89 CO 0.16 0.50 0.52 -0.51 -0.01 0.00 0.00 175.02 175.68 1jfc s ASP 90 N -3.09 5.49 0.61 3.03 -0.00 -1.26 -4.63 116.67 116.83 1jfc s ASP 90 Ca 0.36 -0.51 -0.19 0.00 -0.00 0.00 0.00 52.55 52.21 1jfc s ASP 90 Cb -0.11 -0.64 -0.03 0.00 -0.00 0.00 0.00 42.92 42.14 1jfc s ASP 90 CO 0.28 -0.73 1.26 -2.84 -0.00 0.00 0.00 175.17 173.15 1jfc s PRO 91 N -4.29 2.81 0.00 8.23 0.02 -1.26 -1.26 135.00 139.26 1jfc s PRO 91 Ca 0.53 1.98 0.27 0.00 0.02 0.00 0.00 61.00 63.80 1jfc s PRO 91 Cb -0.08 -1.93 0.86 0.00 0.02 0.00 0.00 34.50 33.36 1jfc s PRO 91 CO 0.32 -1.37 1.63 -0.35 -0.33 0.00 0.00 177.00 176.89 1jfc n PRO 92 N -1.65 1.15 -0.19 5.54 -0.04 -1.26 -4.83 135.00 133.72 1jfc n PRO 92 Ca 0.14 -0.68 -0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1jfc n PRO 92 Cb 0.48 -1.49 0.24 0.00 -0.04 0.00 0.00 33.50 32.70 1jfc n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jfc h GLU 93 N 1.65 0.93 0.19 0.54 3.07 -1.80 -2.58 114.58 116.59 1jfc h GLU 93 Ca 0.00 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1jfc h GLU 93 Cb 0.51 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1jfc h GLU 93 CO 0.00 0.66 -0.33 1.25 -1.40 0.00 0.00 179.01 179.19 1jfc h HIS 94 N 0.95 -0.94 0.00 4.33 2.76 -1.44 -2.14 115.15 118.68 1jfc h HIS 94 Ca 0.25 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1jfc h HIS 94 Cb -0.02 0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1jfc h HIS 94 CO 0.00 -0.40 -0.36 1.98 -1.30 0.00 0.00 177.93 177.85 1jfc h MET 95 N -0.56 0.00 -0.72 5.26 1.85 -1.84 0.28 114.93 119.19 1jfc h MET 95 Ca -0.02 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.15 1jfc h MET 95 Cb 0.52 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.48 1jfc h MET 95 CO -0.11 0.36 0.39 1.25 -0.40 0.00 0.00 176.91 178.40 1jfc h HIS 96 N 0.00 0.70 0.10 1.39 6.17 -1.21 -0.42 115.15 121.88 1jfc h HIS 96 Ca -0.00 0.03 -0.23 0.00 0.71 0.00 0.00 60.37 60.88 1jfc h HIS 96 Cb 0.97 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.70 1jfc h HIS 96 CO 0.00 0.29 -1.14 0.37 0.71 0.00 0.00 177.93 178.16 1jfc h GLN 97 N 0.68 0.22 -0.68 5.26 4.15 -1.21 -3.36 115.11 120.16 1jfc h GLN 97 Ca 0.34 -0.37 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1jfc h GLN 97 Cb 0.30 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1jfc h GLN 97 CO -0.23 1.18 0.45 -0.09 -1.93 0.00 0.00 178.83 178.21 1jfc h ARG 98 N -0.44 0.87 0.00 1.69 2.43 -0.89 -0.88 114.38 117.17 1jfc h ARG 98 Ca -0.24 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1jfc h ARG 98 Cb 1.63 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1jfc h ARG 98 CO 0.05 0.58 0.00 0.66 -1.51 0.00 0.00 179.97 179.75 1jfc h SER 99 N 0.90 0.00 0.24 -3.80 4.64 -1.23 -1.39 113.55 112.91 1jfc h SER 99 Ca 0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1jfc h SER 99 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1jfc h SER 99 CO -0.06 0.00 -0.16 0.24 -0.87 0.00 0.00 176.83 175.98 1jfc h MET 100 N 0.00 0.00 0.00 4.77 2.86 -1.30 -3.30 114.93 117.96 1jfc h MET 100 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jfc h MET 100 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1jfc h MET 100 CO 0.00 0.16 0.00 1.33 1.06 0.00 0.00 176.91 179.46 1jfc n VAL 101 N -4.05 0.00 0.27 -2.22 0.24 -0.72 -4.77 118.33 107.08 1jfc n VAL 101 Ca -0.02 -0.45 0.16 0.00 -2.04 0.00 0.00 64.34 61.99 1jfc n VAL 101 Cb 0.24 1.02 0.74 0.00 -1.47 0.00 0.00 33.84 34.37 1jfc n VAL 101 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1jfc h GLU 102 N 0.00 0.00 -1.00 7.34 4.81 -1.37 -3.26 114.58 121.10 1jfc h GLU 102 Ca 0.00 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.49 1jfc h GLU 102 Cb 0.01 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.26 1jfc h GLU 102 CO 0.00 0.06 0.59 -1.35 -0.73 0.00 0.00 179.01 177.59 1jfc h PRO 103 N 0.00 0.51 0.00 0.92 0.11 -1.86 -0.76 132.00 130.92 1jfc h PRO 103 Ca -0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1jfc h PRO 103 Cb 0.44 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1jfc h PRO 103 CO 0.01 0.34 -0.08 1.15 -0.21 0.00 0.00 178.00 179.21 1jfc h THR 104 N 0.53 0.31 -0.07 -1.15 2.02 -1.96 -3.17 112.91 109.42 1jfc h THR 104 Ca 0.66 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1jfc h THR 104 Cb 1.32 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1jfc h THR 104 CO -0.50 0.07 0.00 0.49 0.37 0.00 0.00 175.52 175.95 1jfc n PHE 105 N -3.37 0.07 -1.11 3.16 3.01 -0.30 -4.40 117.46 114.52 1jfc n PHE 105 Ca -0.01 -0.05 -0.32 0.00 1.01 0.00 0.00 57.45 58.08 1jfc n PHE 105 Cb 0.24 -0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.82 1jfc n PHE 105 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1jfc s THR 106 N -1.38 2.73 0.25 4.37 -4.23 -1.19 -4.63 115.64 111.55 1jfc s THR 106 Ca 0.21 0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1jfc s THR 106 Cb 0.15 -2.58 0.21 0.00 1.34 0.00 0.00 72.50 71.62 1jfc s THR 106 CO 0.22 -0.29 1.75 -0.65 -0.54 0.00 0.00 174.62 175.11 1jfc h PRO 107 N -1.21 0.53 -0.31 3.99 0.11 -1.95 -0.15 132.00 133.01 1jfc h PRO 107 Ca -0.44 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1jfc h PRO 107 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1jfc h PRO 107 CO 0.48 0.35 -0.24 1.49 -0.21 0.00 0.00 178.00 179.87 1jfc h GLU 108 N 0.54 0.70 -0.81 1.05 4.81 -1.96 -1.07 114.58 117.84 1jfc h GLU 108 Ca 0.41 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1jfc h GLU 108 Cb 0.57 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1jfc h GLU 108 CO -0.36 0.96 0.52 0.00 -0.73 0.00 0.00 179.01 179.40 1jfc h ALA 109 N 0.73 1.04 -0.32 2.92 0.00 -1.69 -1.11 119.26 120.83 1jfc h ALA 109 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1jfc h ALA 109 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jfc h ALA 109 CO 0.06 0.38 -0.27 0.28 0.00 0.00 0.00 179.25 179.71 1jfc h VAL 110 N 1.05 1.28 -0.65 0.00 2.07 -0.85 -0.96 116.25 118.19 1jfc h VAL 110 Ca 0.31 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.51 1jfc h VAL 110 Cb -0.06 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1jfc h VAL 110 CO -0.09 0.45 0.36 0.11 0.02 0.00 0.00 177.57 178.42 1jfc h LYS 111 N 0.56 0.65 0.00 1.57 1.79 -0.78 -1.89 116.57 118.48 1jfc h LYS 111 Ca 0.07 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1jfc h LYS 111 Cb 0.75 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1jfc h LYS 111 CO 0.06 0.43 -0.02 -0.91 -1.08 0.00 0.00 179.45 177.93 1jfc h ASN 112 N 0.67 0.00 0.91 0.86 2.35 -0.65 -2.58 115.58 117.14 1jfc h ASN 112 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1jfc h ASN 112 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1jfc h ASN 112 CO -0.18 0.02 -0.09 -0.11 -1.65 0.00 0.00 177.43 175.43 1jfc n LEU 113 N -3.12 0.09 -0.20 1.61 7.94 -0.41 -4.38 117.00 118.53 1jfc n LEU 113 Ca 0.01 0.41 -0.01 0.00 -1.11 0.00 0.00 56.01 55.31 1jfc n LEU 113 Cb 0.36 -0.45 0.09 0.00 0.53 0.00 0.00 43.42 43.95 1jfc n LEU 113 CO 0.29 0.02 1.00 -0.61 -1.11 0.00 0.00 177.39 176.99 1jfc h GLN 114 N 0.00 0.44 -0.84 1.96 5.75 -1.04 -0.75 115.11 120.62 1jfc h GLN 114 Ca 0.00 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1jfc h GLN 114 Cb 0.50 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1jfc h GLN 114 CO 0.00 0.29 0.54 -1.35 -2.65 0.00 0.00 178.83 175.67 1jfc h PRO 115 N 0.45 1.12 -0.44 -2.39 0.11 -1.82 0.12 132.00 129.15 1jfc h PRO 115 Ca 0.29 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 1jfc h PRO 115 Cb 0.31 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1jfc h PRO 115 CO -0.26 0.75 0.13 -0.92 -0.21 0.00 0.00 178.00 177.49 1jfc h TYR 116 N 1.14 0.70 -0.44 0.65 3.20 -1.54 -0.64 116.97 120.05 1jfc h TYR 116 Ca 0.31 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1jfc h TYR 116 Cb -0.11 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1jfc h TYR 116 CO 0.00 0.64 0.28 0.82 -1.64 0.00 0.00 178.16 178.26 1jfc h ILE 117 N 0.56 1.08 -0.47 1.81 2.04 -0.56 -0.86 117.51 121.11 1jfc h ILE 117 Ca 0.14 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1jfc h ILE 117 Cb 0.27 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1jfc h ILE 117 CO -0.00 0.10 0.31 -0.61 0.00 0.00 0.00 178.15 177.94 1jfc h GLN 118 N 0.56 0.62 -0.85 2.37 5.75 -0.85 -1.47 115.11 121.25 1jfc h GLN 118 Ca 0.17 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1jfc h GLN 118 Cb -0.03 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 1jfc h GLN 118 CO -0.06 0.42 0.44 -0.09 -2.65 0.00 0.00 178.83 176.90 1jfc h ARG 119 N 0.64 1.20 -0.38 1.69 2.43 -0.85 0.10 114.38 119.21 1jfc h ARG 119 Ca 0.17 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1jfc h ARG 119 Cb -0.06 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 1jfc h ARG 119 CO -0.04 0.90 0.13 1.15 -1.51 0.00 0.00 179.97 180.60 1jfc h THR 120 N 1.19 1.21 -0.27 0.20 2.02 -0.82 0.01 112.91 116.45 1jfc h THR 120 Ca 0.29 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1jfc h THR 120 Cb 0.07 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1jfc h THR 120 CO -0.04 0.24 0.13 0.58 0.37 0.00 0.00 175.52 176.79 1jfc h VAL 121 N 0.47 1.14 -0.57 3.16 2.07 -1.05 -2.27 116.25 119.21 1jfc h VAL 121 Ca 0.12 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1jfc h VAL 121 Cb 0.24 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1jfc h VAL 121 CO -0.01 0.15 0.30 0.44 0.02 0.00 0.00 177.57 178.47 1jfc h ASP 122 N 0.30 0.43 -0.46 0.57 3.32 -0.60 -0.64 116.42 119.34 1jfc h ASP 122 Ca 0.09 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1jfc h ASP 122 Cb 0.11 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1jfc h ASP 122 CO -0.01 0.29 0.07 0.44 -1.72 0.00 0.00 179.24 178.31 1jfc h ASP 123 N 0.57 0.75 -0.42 6.45 3.32 -0.89 -0.27 116.42 125.93 1jfc h ASP 123 Ca 0.25 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1jfc h ASP 123 Cb 0.15 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1jfc h ASP 123 CO -0.17 0.82 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.96 1jfc h LEU 124 N 0.64 0.90 -0.67 1.55 3.38 -1.15 -1.50 115.31 118.46 1jfc h LEU 124 Ca 0.14 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1jfc h LEU 124 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1jfc h LEU 124 CO 0.01 1.04 0.37 -0.07 0.09 0.00 0.00 178.44 179.88 1jfc h LEU 125 N 0.79 0.83 -0.77 1.67 3.38 -0.88 -1.67 115.31 118.66 1jfc h LEU 125 Ca 0.12 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1jfc h LEU 125 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1jfc h LEU 125 CO 0.05 0.69 -0.12 -0.08 0.09 0.00 0.00 178.44 179.07 1jfc h GLU 126 N 0.91 0.81 -0.54 1.13 4.57 -0.72 0.44 114.58 121.19 1jfc h GLU 126 Ca 0.24 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1jfc h GLU 126 Cb 0.04 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1jfc h GLU 126 CO -0.04 0.89 0.31 1.96 -1.18 0.00 0.00 179.01 180.95 1jfc h GLN 127 N 0.73 0.74 -0.41 1.92 1.08 -1.14 0.12 115.11 118.15 1jfc h GLN 127 Ca 0.12 -0.08 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1jfc h GLN 127 Cb 0.61 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.83 1jfc h GLN 127 CO 0.04 0.56 0.07 0.52 -0.95 0.00 0.00 178.83 179.07 1jfc h MET 128 N 0.72 0.19 -0.09 1.46 2.86 -0.91 0.29 114.93 119.45 1jfc h MET 128 Ca 0.19 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1jfc h MET 128 Cb 0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1jfc h MET 128 CO -0.03 0.12 0.05 -0.22 1.06 0.00 0.00 176.91 177.89 1jfc h LYS 129 N 0.19 0.12 -0.76 1.72 3.64 -0.40 0.06 116.57 121.14 1jfc h LYS 129 Ca 0.20 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1jfc h LYS 129 Cb 0.25 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1jfc h LYS 129 CO -0.28 0.13 0.43 1.96 -2.27 0.00 0.00 179.45 179.42 1jfc h GLN 130 N 0.07 0.72 -0.14 1.90 4.20 -0.60 -2.11 115.11 119.15 1jfc h GLN 130 Ca 0.03 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1jfc h GLN 130 Cb 0.05 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1jfc h GLN 130 CO -0.01 0.48 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.35 1jfc h LYS 131 N 0.74 -0.04 0.00 1.46 3.64 -0.58 -3.48 116.57 118.32 1jfc h LYS 131 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1jfc h LYS 131 Cb 0.29 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1jfc h LYS 131 CO -0.23 -0.03 0.00 0.41 -2.27 0.00 0.00 179.45 177.34 1jfc n GLY 132 N -1.20 -1.76 1.69 5.01 0.00 -0.02 -4.72 105.19 104.19 1jfc n GLY 132 Ca -0.03 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.68 1jfc n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfc h ALA 134 N 1.09 1.10 -0.38 0.00 0.00 -1.97 -2.20 119.26 116.89 1jfc h ALA 134 Ca -0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jfc h ALA 134 Cb 1.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1jfc h ALA 134 CO 0.03 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1jfc n ASN 135 N -3.58 3.37 0.00 0.00 5.03 -1.26 -5.06 115.26 113.76 1jfc n ASN 135 Ca -0.01 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1jfc n ASN 135 Cb 0.43 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 1jfc n ASN 135 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jfc n GLY 136 N 1.37 0.97 3.65 7.41 0.00 -0.83 -5.11 105.19 112.65 1jfc n GLY 136 Ca 0.18 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 1jfc n GLY 136 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jfc s PRO 137 N -1.01 0.74 0.24 1.61 0.02 -1.26 -4.51 135.00 130.83 1jfc s PRO 137 Ca 0.00 1.16 0.08 0.00 0.02 0.00 0.00 61.00 62.26 1jfc s PRO 137 Cb 0.00 -1.72 -0.05 0.00 0.02 0.00 0.00 34.50 32.75 1jfc s PRO 137 CO 0.00 -2.70 -0.13 0.14 -0.33 0.00 0.00 177.00 173.99 1jfc s VAL 138 N -2.70 1.86 -0.43 3.83 -7.23 -0.70 -4.89 120.40 110.15 1jfc s VAL 138 Ca 0.66 -2.22 -0.22 0.00 -1.81 0.00 0.00 61.98 58.39 1jfc s VAL 138 Cb -0.21 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1jfc s VAL 138 CO 0.59 -0.46 0.73 -0.62 -0.31 0.00 0.00 175.10 175.02 1jfc s ASP 139 N -3.40 6.40 0.51 4.85 2.15 -1.26 -0.59 116.67 125.33 1jfc s ASP 139 Ca 0.26 -0.10 0.19 0.00 0.43 0.00 0.00 52.55 53.33 1jfc s ASP 139 Cb -0.00 -2.36 1.28 0.00 -0.30 0.00 0.00 42.92 41.54 1jfc s ASP 139 CO 0.10 -0.82 2.10 0.25 -0.17 0.00 0.00 175.17 176.63 1jfc h LEU 140 N 9.88 0.00 0.70 -1.34 5.85 -1.36 -0.98 115.31 128.06 1jfc h LEU 140 Ca -0.25 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1jfc h LEU 140 Cb 1.09 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1jfc h LEU 140 CO 0.92 0.08 -0.34 0.58 -0.34 0.00 0.00 178.44 179.34 1jfc h VAL 141 N 0.00 0.00 -0.92 1.05 2.07 -1.91 -0.41 116.25 116.12 1jfc h VAL 141 Ca -0.00 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1jfc h VAL 141 Cb 0.16 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.87 1jfc h VAL 141 CO 0.01 0.00 0.59 0.50 0.02 0.00 0.00 177.57 178.69 1jfc h LYS 142 N -1.14 1.09 0.00 1.57 3.64 -1.85 0.22 116.57 120.10 1jfc h LYS 142 Ca -0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1jfc h LYS 142 Cb 0.72 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1jfc h LYS 142 CO 0.16 0.72 -0.15 0.93 -2.27 0.00 0.00 179.45 178.84 1jfc h GLU 143 N 1.12 0.00 0.00 1.90 4.39 -1.22 -3.41 114.58 117.37 1jfc h GLU 143 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1jfc h GLU 143 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1jfc h GLU 143 CO -0.14 0.00 0.00 0.34 -1.16 0.00 0.00 179.01 178.05 1jfc n PHE 144 N -2.38 -3.68 -0.08 4.33 7.35 -0.58 -4.82 117.46 117.60 1jfc n PHE 144 Ca 0.05 1.05 -0.01 0.00 -0.76 0.00 0.00 57.45 57.77 1jfc n PHE 144 Cb 0.45 2.29 0.26 0.00 0.35 0.00 0.00 39.48 42.82 1jfc n PHE 144 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jfc h ALA 145 N 0.00 1.34 0.27 3.13 0.00 -0.85 -2.02 119.26 121.13 1jfc h ALA 145 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jfc h ALA 145 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jfc h ALA 145 CO 0.00 0.48 -0.13 1.25 0.00 0.00 0.00 179.25 180.84 1jfc h LEU 146 N 0.69 -0.31 -1.14 0.00 5.85 -1.19 -3.37 115.31 115.84 1jfc h LEU 146 Ca 0.16 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1jfc h LEU 146 Cb 0.23 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1jfc h LEU 146 CO -0.01 0.15 -0.42 1.55 -0.34 0.00 0.00 178.44 179.37 1jfc h PRO 147 N -0.88 0.00 0.46 5.25 0.13 -1.75 -3.03 132.00 132.18 1jfc h PRO 147 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1jfc h PRO 147 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1jfc h PRO 147 CO 0.06 0.42 -0.48 0.28 -0.23 0.00 0.00 178.00 178.05 1jfc h VAL 148 N 0.00 0.00 -0.33 1.56 2.07 -1.52 0.11 116.25 118.15 1jfc h VAL 148 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1jfc h VAL 148 Cb 0.76 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1jfc h VAL 148 CO 0.05 0.00 -0.21 1.55 0.02 0.00 0.00 177.57 178.98 1jfc h PRO 149 N -0.94 0.62 -0.06 1.57 0.13 -1.74 -2.85 132.00 128.73 1jfc h PRO 149 Ca -0.06 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1jfc h PRO 149 Cb 0.82 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1jfc h PRO 149 CO -0.07 0.79 0.02 0.77 -0.23 0.00 0.00 178.00 179.29 1jfc h SER 150 N 0.55 0.08 -0.84 1.44 0.02 -1.38 -1.08 113.55 112.35 1jfc h SER 150 Ca 0.08 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1jfc h SER 150 Cb 0.67 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1jfc h SER 150 CO 0.05 0.25 0.40 1.88 -1.14 0.00 0.00 176.83 178.26 1jfc h TYR 151 N -0.08 1.23 0.17 3.45 0.99 -0.78 -1.04 116.97 120.90 1jfc h TYR 151 Ca 0.02 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1jfc h TYR 151 Cb 0.19 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 37.54 1jfc h TYR 151 CO -0.01 0.89 -0.08 0.82 -0.00 0.00 0.00 178.16 179.78 1jfc h ILE 152 N 1.21 0.94 -0.48 -2.88 2.04 -1.33 -0.97 117.51 116.03 1jfc h ILE 152 Ca 0.29 -0.49 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1jfc h ILE 152 Cb 0.13 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1jfc h ILE 152 CO -0.03 0.11 -0.21 -0.29 0.00 0.00 0.00 178.15 177.73 1jfc h ILE 153 N -0.46 1.27 -0.84 -0.67 6.09 -1.11 -0.58 117.51 121.21 1jfc h ILE 153 Ca -0.02 -1.37 -0.01 0.00 -1.37 0.00 0.00 64.86 62.08 1jfc h ILE 153 Cb 0.36 1.11 -0.04 0.00 0.47 0.00 0.00 36.82 38.72 1jfc h ILE 153 CO 0.04 0.47 0.47 1.88 -3.07 0.00 0.00 178.15 177.94 1jfc h TYR 154 N 0.85 1.14 -0.50 2.19 0.99 -1.21 -0.53 116.97 119.89 1jfc h TYR 154 Ca 0.11 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.77 1jfc h TYR 154 Cb 0.78 -0.37 -0.02 0.00 1.00 0.00 0.00 36.73 38.12 1jfc h TYR 154 CO 0.05 0.79 0.14 1.15 -0.00 0.00 0.00 178.16 180.29 1jfc h THR 155 N 1.16 1.24 -0.72 -2.88 2.02 -0.81 -0.51 112.91 112.41 1jfc h THR 155 Ca 0.30 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1jfc h THR 155 Cb 0.02 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1jfc h THR 155 CO -0.05 0.30 0.32 -0.07 0.37 0.00 0.00 175.52 176.39 1jfc h LEU 156 N 0.69 0.96 -0.87 2.58 3.38 -0.84 -2.47 115.31 118.74 1jfc h LEU 156 Ca 0.16 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1jfc h LEU 156 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jfc h LEU 156 CO -0.00 0.83 0.02 -0.07 0.09 0.00 0.00 178.44 179.31 1jfc h LEU 157 N 1.04 0.82 0.00 1.67 3.38 -0.83 -1.20 115.31 120.19 1jfc h LEU 157 Ca 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jfc h LEU 157 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1jfc h LEU 157 CO -0.03 0.87 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1jfc n GLY 158 N -0.63 0.18 3.74 0.83 0.00 -0.60 -1.89 105.19 106.82 1jfc n GLY 158 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1jfc n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfc s VAL 159 N -0.99 2.97 0.58 1.61 1.01 -0.30 -4.99 120.40 120.30 1jfc s VAL 159 Ca 0.00 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 1jfc s VAL 159 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1jfc s VAL 159 CO 0.00 0.11 1.09 -2.16 0.00 0.00 0.00 175.10 174.15 1jfc s PRO 160 N -0.04 3.23 0.28 2.72 0.04 -1.26 -4.51 135.00 135.46 1jfc s PRO 160 Ca 0.59 1.41 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1jfc s PRO 160 Cb -0.39 -2.01 0.56 0.00 0.04 0.00 0.00 34.50 32.70 1jfc s PRO 160 CO 0.39 -0.91 1.82 0.35 0.04 0.00 0.00 177.00 178.68 1jfc h PHE 161 N 0.69 1.06 -0.68 0.56 3.04 -1.99 -1.35 116.94 118.27 1jfc h PHE 161 Ca -0.48 0.03 0.15 0.00 3.98 0.00 0.00 57.97 61.65 1jfc h PHE 161 Cb 1.24 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 39.38 1jfc h PHE 161 CO 0.55 0.38 0.46 -0.97 -2.02 0.00 0.00 178.31 176.71 1jfc h ASN 162 N 0.90 0.29 0.13 0.41 -1.24 -2.04 -2.56 115.58 111.47 1jfc h ASN 162 Ca 0.49 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.52 1jfc h ASN 162 Cb 0.55 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1jfc h ASN 162 CO -0.29 0.15 -0.22 0.47 -1.29 0.00 0.00 177.43 176.25 1jfc n ASP 163 N -4.45 1.37 -0.18 1.15 10.43 -0.51 -4.42 116.55 119.94 1jfc n ASP 163 Ca 0.13 -1.17 -0.08 0.00 2.57 0.00 0.00 54.79 56.24 1jfc n ASP 163 Cb 0.54 0.15 0.02 0.00 1.84 0.00 0.00 41.12 43.66 1jfc n ASP 163 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1jfc h LEU 164 N 1.81 0.68 -0.18 0.64 3.38 -1.50 -2.27 115.31 117.86 1jfc h LEU 164 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1jfc h LEU 164 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1jfc h LEU 164 CO 0.00 0.61 0.06 -0.08 0.09 0.00 0.00 178.44 179.13 1jfc h GLU 165 N 0.69 0.28 -0.31 1.13 4.81 -1.81 0.14 114.58 119.51 1jfc h GLU 165 Ca 0.18 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1jfc h GLU 165 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1jfc h GLU 165 CO -0.02 0.38 0.08 -0.92 -0.73 0.00 0.00 179.01 177.79 1jfc h TYR 166 N 0.13 0.52 -0.02 0.92 3.20 -1.85 -2.34 116.97 117.52 1jfc h TYR 166 Ca 0.06 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1jfc h TYR 166 Cb 0.21 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1jfc h TYR 166 CO -0.00 0.55 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.61 1jfc h LEU 167 N 0.34 0.05 -0.37 2.82 4.07 -1.30 -0.93 115.31 119.99 1jfc h LEU 167 Ca 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1jfc h LEU 167 Cb 0.29 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1jfc h LEU 167 CO 0.00 0.43 0.17 0.74 -1.08 0.00 0.00 178.44 178.70 1jfc h THR 168 N 0.04 1.17 -0.40 0.22 2.02 -0.78 -0.98 112.91 114.22 1jfc h THR 168 Ca 0.00 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1jfc h THR 168 Cb 0.70 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1jfc h THR 168 CO 0.05 0.19 0.25 -0.61 0.37 0.00 0.00 175.52 175.76 1jfc h GLN 169 N 0.46 0.49 -0.43 6.66 4.15 -0.95 -2.10 115.11 123.39 1jfc h GLN 169 Ca 0.13 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 1jfc h GLN 169 Cb 0.13 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1jfc h GLN 169 CO -0.01 0.32 -0.22 1.96 -1.93 0.00 0.00 178.83 178.95 1jfc h GLN 170 N 0.50 0.87 -0.47 1.69 1.08 -0.94 -1.89 115.11 115.96 1jfc h GLN 170 Ca 0.15 -0.36 -0.06 0.00 -1.45 0.00 0.00 58.65 56.93 1jfc h GLN 170 Cb -0.03 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1jfc h GLN 170 CO -0.05 1.00 0.04 -0.97 -0.95 0.00 0.00 178.83 177.91 1jfc h ASN 171 N 0.75 0.71 -0.83 1.46 -1.24 -1.11 -2.43 115.58 112.89 1jfc h ASN 171 Ca 0.10 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 1jfc h ASN 171 Cb 0.76 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.59 1jfc h ASN 171 CO 0.06 0.75 0.43 0.00 -1.29 0.00 0.00 177.43 177.38 1jfc h ALA 172 N 1.34 1.19 -0.34 1.57 0.00 -1.00 -2.32 119.26 119.70 1jfc h ALA 172 Ca 0.15 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jfc h ALA 172 Cb 0.37 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jfc h ALA 172 CO 0.01 0.63 0.23 0.82 0.00 0.00 0.00 179.25 180.95 1jfc h ILE 173 N 1.17 0.96 -0.99 0.00 2.04 -0.85 0.70 117.51 120.54 1jfc h ILE 173 Ca 0.29 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 66.21 1jfc h ILE 173 Cb 0.07 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 1jfc h ILE 173 CO -0.04 0.04 0.62 0.03 0.00 0.00 0.00 178.15 178.80 1jfc h ARG 174 N 0.25 0.85 -0.00 2.37 3.08 -1.31 -3.21 114.38 116.41 1jfc h ARG 174 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1jfc h ARG 174 Cb 0.28 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1jfc h ARG 174 CO -0.03 0.56 -0.18 0.25 -1.07 0.00 0.00 179.97 179.51 1jfc n THR 175 N -4.65 0.00 -1.73 2.04 -2.24 -0.58 -4.82 114.28 102.29 1jfc n THR 175 Ca 0.20 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1jfc n THR 175 Cb 0.44 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 1jfc n THR 175 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jfc n ASN 176 N -0.46 3.92 0.30 3.42 5.03 0.13 -4.85 115.26 122.76 1jfc n ASN 176 Ca 0.03 1.11 0.17 0.00 0.87 0.00 0.00 54.58 56.75 1jfc n ASN 176 Cb 0.14 -1.58 0.97 0.00 -1.02 0.00 0.00 39.78 38.29 1jfc n ASN 176 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1jfc h GLY 177 N 5.67 0.00 1.38 7.41 0.00 -1.92 -2.20 103.07 113.41 1jfc h GLY 177 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1jfc h GLY 177 CO 0.87 0.00 -0.32 -1.14 0.00 0.00 0.00 176.54 175.95 1jfc n SER 178 N -3.62 0.34 -4.77 0.19 3.41 -1.26 -4.87 113.62 103.04 1jfc n SER 178 Ca -0.03 0.05 -0.39 0.00 -0.26 0.00 0.00 58.87 58.24 1jfc n SER 178 Cb 0.10 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1jfc n SER 178 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jfc s SER 179 N -3.09 6.52 0.79 4.04 0.01 -0.83 -5.02 113.70 116.12 1jfc s SER 179 Ca 0.12 2.57 -0.11 0.00 1.31 0.00 0.00 55.95 59.84 1jfc s SER 179 Cb 0.18 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.84 1jfc s SER 179 CO 0.64 -0.70 1.09 0.42 0.41 0.00 0.00 173.24 175.10 1jfc s THR 180 N -1.26 3.23 0.23 1.44 -4.23 -1.26 -4.86 115.64 108.93 1jfc s THR 180 Ca 0.54 0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 61.39 1jfc s THR 180 Cb -0.36 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.57 1jfc s THR 180 CO 0.47 -0.52 1.81 0.00 -0.54 0.00 0.00 174.62 175.84 1jfc h ALA 181 N -1.07 1.06 -0.47 3.99 0.00 -1.99 -0.77 119.26 120.01 1jfc h ALA 181 Ca -0.46 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jfc h ALA 181 Cb 1.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1jfc h ALA 181 CO 0.58 0.07 0.28 0.00 0.00 0.00 0.00 179.25 180.18 1jfc h ARG 182 N 0.74 0.64 -0.27 0.00 3.08 -1.99 -0.88 114.38 115.71 1jfc h ARG 182 Ca 0.36 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1jfc h ARG 182 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1jfc h ARG 182 CO -0.23 0.48 0.14 0.93 -1.07 0.00 0.00 179.97 180.22 1jfc h GLU 183 N 0.63 0.38 -0.45 0.04 5.08 -1.81 -0.26 114.58 118.19 1jfc h GLU 183 Ca 0.17 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1jfc h GLU 183 Cb 0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jfc h GLU 183 CO -0.03 0.35 0.14 0.00 -1.00 0.00 0.00 179.01 178.47 1jfc h ALA 184 N 1.01 0.59 -0.58 3.43 0.00 -0.98 -1.52 119.26 121.21 1jfc h ALA 184 Ca 0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1jfc h ALA 184 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jfc h ALA 184 CO -0.01 0.24 -0.00 0.77 0.00 0.00 0.00 179.25 180.25 1jfc h SER 185 N 0.59 1.01 -0.67 0.00 0.02 -0.99 -0.75 113.55 112.77 1jfc h SER 185 Ca 0.14 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 1jfc h SER 185 Cb 0.27 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1jfc h SER 185 CO -0.00 1.07 0.17 0.00 -1.14 0.00 0.00 176.83 176.93 1jfc h ALA 186 N 0.97 1.01 -0.47 3.77 0.00 -0.93 -1.46 119.26 122.16 1jfc h ALA 186 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1jfc h ALA 186 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jfc h ALA 186 CO 0.03 0.65 0.04 0.00 0.00 0.00 0.00 179.25 179.96 1jfc h ALA 187 N 1.15 0.62 -0.25 0.00 0.00 -0.99 0.20 119.26 120.00 1jfc h ALA 187 Ca 0.22 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jfc h ALA 187 Cb 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1jfc h ALA 187 CO 0.00 0.39 -0.09 -0.97 0.00 0.00 0.00 179.25 178.58 1jfc h ASN 188 N 0.66 -0.32 0.06 0.00 -1.24 -0.84 -1.37 115.58 112.53 1jfc h ASN 188 Ca 0.14 0.09 -0.13 0.00 0.71 0.00 0.00 56.30 57.10 1jfc h ASN 188 Cb 0.45 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 1jfc h ASN 188 CO 0.02 -0.12 -0.43 -0.61 -1.29 0.00 0.00 177.43 175.00 1jfc h GLN 189 N -0.05 0.46 -0.55 6.67 5.75 -1.02 -1.97 115.11 124.40 1jfc h GLN 189 Ca 0.13 -0.24 0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1jfc h GLN 189 Cb 0.24 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 1jfc h GLN 189 CO -0.28 0.80 0.33 1.49 -2.65 0.00 0.00 178.83 178.53 1jfc h GLU 190 N 0.37 0.65 -0.43 1.69 4.81 -0.56 -0.15 114.58 120.95 1jfc h GLU 190 Ca 0.03 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1jfc h GLU 190 Cb 0.91 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1jfc h GLU 190 CO 0.08 0.43 0.03 -0.07 -0.73 0.00 0.00 179.01 178.75 1jfc h LEU 191 N 0.67 0.72 -0.85 1.64 3.38 -1.01 -1.11 115.31 118.74 1jfc h LEU 191 Ca 0.22 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1jfc h LEU 191 Cb 0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1jfc h LEU 191 CO -0.09 0.82 0.55 -0.07 0.09 0.00 0.00 178.44 179.75 1jfc h LEU 192 N 0.59 0.94 -0.66 1.67 3.38 -1.12 -0.55 115.31 119.55 1jfc h LEU 192 Ca 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1jfc h LEU 192 Cb 0.44 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1jfc h LEU 192 CO 0.02 0.66 0.16 0.44 0.09 0.00 0.00 178.44 179.81 1jfc h ASP 193 N 1.10 1.01 0.26 -0.43 3.45 -0.75 -1.27 116.42 119.80 1jfc h ASP 193 Ca 0.32 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 1jfc h ASP 193 Cb -0.06 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.43 1jfc h ASP 193 CO -0.09 0.98 -0.19 0.22 -1.57 0.00 0.00 179.24 178.59 1jfc h TYR 194 N 0.99 -0.49 -0.24 4.55 3.20 -0.93 -2.64 116.97 121.41 1jfc h TYR 194 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1jfc h TYR 194 Cb 0.36 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1jfc h TYR 194 CO 0.03 -0.29 0.15 -0.07 -1.64 0.00 0.00 178.16 176.34 1jfc h LEU 195 N -0.45 0.27 -0.75 2.82 3.38 -0.96 -1.72 115.31 117.92 1jfc h LEU 195 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1jfc h LEU 195 Cb 0.39 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jfc h LEU 195 CO 0.00 0.21 0.38 0.00 0.09 0.00 0.00 178.44 179.12 1jfc h ALA 196 N 1.84 0.96 -0.50 1.53 0.00 -0.98 -0.18 119.26 121.93 1jfc h ALA 196 Ca 0.09 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1jfc h ALA 196 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1jfc h ALA 196 CO -0.02 0.50 -0.08 0.82 0.00 0.00 0.00 179.25 180.47 1jfc h ILE 197 N 1.04 1.26 -0.75 0.00 2.04 -1.07 -1.59 117.51 118.45 1jfc h ILE 197 Ca 0.26 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1jfc h ILE 197 Cb 0.08 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1jfc h ILE 197 CO -0.04 0.41 0.30 0.25 0.00 0.00 0.00 178.15 179.08 1jfc h LEU 198 N 0.81 1.03 -0.47 1.44 5.85 -0.85 -0.86 115.31 122.26 1jfc h LEU 198 Ca 0.14 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1jfc h LEU 198 Cb 0.60 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1jfc h LEU 198 CO 0.04 0.91 0.26 0.58 -0.34 0.00 0.00 178.44 179.90 1jfc h VAL 199 N 1.07 1.01 -0.88 1.05 2.07 -0.85 0.29 116.25 120.01 1jfc h VAL 199 Ca 0.25 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1jfc h VAL 199 Cb 0.21 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1jfc h VAL 199 CO -0.02 0.10 0.58 -0.33 0.02 0.00 0.00 177.57 177.91 1jfc h GLU 200 N 0.52 1.14 -0.31 1.57 4.39 -0.64 -1.11 114.58 120.13 1jfc h GLU 200 Ca 0.20 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 1jfc h GLU 200 Cb 0.06 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1jfc h GLU 200 CO -0.11 0.75 -0.08 0.37 -1.16 0.00 0.00 179.01 178.78 1jfc h GLN 201 N 1.17 0.61 0.00 2.33 4.15 -0.74 -3.04 115.11 119.59 1jfc h GLN 201 Ca 0.33 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1jfc h GLN 201 Cb -0.10 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1jfc h GLN 201 CO -0.08 0.79 -0.09 0.00 -1.93 0.00 0.00 178.83 177.52 1jfc h ARG 202 N 0.38 0.00 -0.36 1.69 2.47 -0.76 0.16 114.38 117.95 1jfc h ARG 202 Ca 0.08 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 1jfc h ARG 202 Cb 0.57 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 1jfc h ARG 202 CO 0.03 0.09 -0.23 -0.07 0.56 0.00 0.00 179.97 180.35 1jfc h LEU 203 N 0.00 0.73 0.26 3.04 3.38 -1.13 -2.24 115.31 119.35 1jfc h LEU 203 Ca -0.00 -0.26 -0.34 0.00 0.09 0.00 0.00 57.88 57.37 1jfc h LEU 203 Cb 0.81 -0.20 0.04 0.00 0.09 0.00 0.00 40.66 41.40 1jfc h LEU 203 CO 0.01 0.94 -1.48 -0.37 0.09 0.00 0.00 178.44 177.63 1jfc h VAL 204 N 0.63 1.28 -2.56 1.22 -1.51 -1.34 -3.42 116.25 110.54 1jfc h VAL 204 Ca 0.09 -2.70 -0.57 0.00 -1.23 0.00 0.00 66.70 62.30 1jfc h VAL 204 Cb 0.73 3.04 -0.39 0.00 -2.13 0.00 0.00 31.29 32.54 1jfc h VAL 204 CO 0.06 0.81 -0.84 -0.70 -1.23 0.00 0.00 177.57 175.67 1jfc s GLU 205 N -2.61 0.53 0.63 5.19 2.12 0.00 -5.13 118.70 119.43 1jfc s GLU 205 Ca -0.09 -1.25 -0.18 0.00 0.36 0.00 0.00 54.97 53.81 1jfc s GLU 205 Cb 0.04 -1.25 -0.02 0.00 0.26 0.00 0.00 34.13 33.16 1jfc s GLU 205 CO 0.95 -1.20 1.20 -1.25 -0.54 0.00 0.00 175.26 174.43 1jfc s PRO 206 N 1.15 2.77 0.14 4.30 0.04 -0.84 -4.34 135.00 138.23 1jfc s PRO 206 Ca 0.17 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1jfc s PRO 206 Cb -0.22 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1jfc s PRO 206 CO -0.01 -1.35 0.01 1.63 0.04 0.00 0.00 177.00 177.32 1jfc n LYS 207 N -1.89 1.39 -2.60 4.56 5.02 -1.26 -5.07 118.16 118.30 1jfc n LYS 207 Ca 0.13 -1.06 -0.42 0.00 -2.02 0.00 0.00 58.31 54.94 1jfc n LYS 207 Cb 0.50 0.37 -0.01 0.00 -0.02 0.00 0.00 35.03 35.87 1jfc n LYS 207 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jfc s ASP 208 N -1.79 6.75 0.08 4.39 3.68 -1.26 -4.64 116.67 123.88 1jfc s ASP 208 Ca 0.02 -2.17 -0.27 0.00 2.13 0.00 0.00 52.55 52.25 1jfc s ASP 208 Cb 0.00 -2.57 0.09 0.00 -1.45 0.00 0.00 42.92 38.99 1jfc s ASP 208 CO 0.01 -1.25 1.10 1.51 0.13 0.00 0.00 175.17 176.67 1jfc s ASP 209 N 4.37 -0.12 0.13 -0.34 3.84 -1.26 -4.86 116.67 118.42 1jfc s ASP 209 Ca 0.51 -0.29 -0.15 0.00 -0.00 0.00 0.00 52.55 52.61 1jfc s ASP 209 Cb 0.02 0.35 -0.01 0.00 -1.38 0.00 0.00 42.92 41.90 1jfc s ASP 209 CO 0.02 -0.65 1.60 0.40 -0.00 0.00 0.00 175.17 176.54 1jfc h ILE 210 N 2.00 1.24 -0.81 2.11 2.04 -1.21 -2.38 117.51 120.50 1jfc h ILE 210 Ca -0.27 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1jfc h ILE 210 Cb 1.22 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1jfc h ILE 210 CO 0.27 0.30 0.54 0.40 0.00 0.00 0.00 178.15 179.66 1jfc h ILE 211 N 0.52 1.20 -0.63 -0.67 2.04 -1.63 -1.09 117.51 117.25 1jfc h ILE 211 Ca 0.12 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1jfc h ILE 211 Cb 0.38 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1jfc h ILE 211 CO 0.01 0.20 0.14 0.28 0.00 0.00 0.00 178.15 178.78 1jfc h SER 212 N 1.09 0.93 -0.48 1.72 0.02 -1.74 -0.14 113.55 114.95 1jfc h SER 212 Ca 0.30 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1jfc h SER 212 Cb -0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 1jfc h SER 212 CO -0.07 0.91 0.21 0.11 -1.14 0.00 0.00 176.83 176.85 1jfc h LYS 213 N 0.94 0.71 -0.45 3.45 1.57 -0.96 0.24 116.57 122.06 1jfc h LYS 213 Ca 0.20 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1jfc h LYS 213 Cb 0.35 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1jfc h LYS 213 CO 0.00 0.62 0.19 -0.07 -0.57 0.00 0.00 179.45 179.62 1jfc h LEU 214 N 0.64 0.23 0.14 2.94 3.38 -0.81 0.11 115.31 121.94 1jfc h LEU 214 Ca 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1jfc h LEU 214 Cb 0.16 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jfc h LEU 214 CO -0.02 0.17 -0.07 0.00 0.09 0.00 0.00 178.44 178.61 1jfc h THR 216 N -0.22 1.33 0.00 0.00 1.35 -0.87 0.06 112.91 114.55 1jfc h THR 216 Ca -0.02 -1.95 -0.06 0.00 -0.55 0.00 0.00 66.41 63.83 1jfc h THR 216 Cb 0.17 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1jfc h THR 216 CO 0.03 0.60 -1.04 -0.33 -0.25 0.00 0.00 175.52 174.53 1jfc h GLU 217 N 0.29 0.00 0.00 4.72 5.08 -0.84 -3.39 114.58 120.43 1jfc h GLU 217 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jfc h GLU 217 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1jfc h GLU 217 CO 0.14 0.12 -0.77 1.04 -1.00 0.00 0.00 179.01 178.54 1jfc n GLN 218 N -2.81 0.00 -0.03 2.33 1.13 -0.20 -4.68 117.38 113.13 1jfc n GLN 218 Ca -0.03 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.90 1jfc n GLN 218 Cb 0.65 -0.66 -0.11 0.00 0.11 0.00 0.00 30.24 30.23 1jfc n GLN 218 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1jfc h VAL 219 N 0.00 1.47 -0.54 5.09 2.07 -0.87 0.39 116.25 123.86 1jfc h VAL 219 Ca 0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1jfc h VAL 219 Cb 0.77 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1jfc h VAL 219 CO 0.00 0.39 0.35 0.11 0.02 0.00 0.00 177.57 178.44 1jfc h LYS 220 N -0.70 0.73 0.00 1.57 1.57 -1.18 0.13 116.57 118.68 1jfc h LYS 220 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1jfc h LYS 220 Cb 0.66 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1jfc h LYS 220 CO 0.00 0.50 0.00 -2.30 -0.57 0.00 0.00 179.45 177.09 1jfc n PRO 221 N -4.69 0.33 -0.70 3.15 -0.02 -1.25 -4.87 135.00 126.94 1jfc n PRO 221 Ca 0.03 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1jfc n PRO 221 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1jfc n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jfc n GLY 222 N 0.36 0.60 0.13 -1.23 0.00 0.03 -4.96 105.19 100.13 1jfc n GLY 222 Ca 0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1jfc n GLY 222 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jfc h ASN 223 N 0.00 0.24 -5.37 1.61 -0.26 -1.13 -3.46 115.58 107.20 1jfc h ASN 223 Ca 0.00 -0.19 -0.21 0.00 -0.56 0.00 0.00 56.30 55.34 1jfc h ASN 223 Cb 0.00 -0.07 -0.15 0.00 -1.06 0.00 0.00 38.32 37.04 1jfc h ASN 223 CO 0.00 0.97 -0.64 0.27 -1.06 0.00 0.00 177.43 176.96 1jfc s ILE 224 N -3.29 0.13 0.45 2.81 -4.36 -0.97 -5.02 121.20 110.96 1jfc s ILE 224 Ca -0.03 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 1jfc s ILE 224 Cb 0.10 -2.18 0.02 0.00 1.25 0.00 0.00 42.46 41.65 1jfc s ILE 224 CO 0.82 -0.34 0.61 1.51 0.24 0.00 0.00 174.94 177.78 1jfc s ASP 225 N -3.09 5.56 0.26 4.36 1.47 -1.26 -4.16 116.67 119.81 1jfc s ASP 225 Ca 0.28 -0.46 -0.03 0.00 1.18 0.00 0.00 52.55 53.53 1jfc s ASP 225 Cb 0.07 -0.54 0.44 0.00 -0.34 0.00 0.00 42.92 42.55 1jfc s ASP 225 CO 0.05 -0.86 1.82 0.11 0.68 0.00 0.00 175.17 176.98 1jfc h LYS 226 N 0.55 0.86 -0.69 2.11 1.57 -1.98 -1.72 116.57 117.26 1jfc h LYS 226 Ca -0.39 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.28 1jfc h LYS 226 Cb 1.28 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1jfc h LYS 226 CO 0.45 0.57 0.20 0.66 -0.57 0.00 0.00 179.45 180.76 1jfc h SER 227 N 0.89 1.01 -0.67 0.86 4.64 -1.99 -1.48 113.55 116.80 1jfc h SER 227 Ca 0.43 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1jfc h SER 227 Cb 0.38 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1jfc h SER 227 CO -0.24 0.95 0.33 0.44 -0.87 0.00 0.00 176.83 177.43 1jfc h ASP 228 N 1.03 0.86 -0.80 4.97 3.32 -1.73 -1.35 116.42 122.73 1jfc h ASP 228 Ca 0.22 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1jfc h ASP 228 Cb 0.31 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1jfc h ASP 228 CO -0.01 0.75 0.53 0.00 -1.72 0.00 0.00 179.24 178.79 1jfc h ALA 229 N 1.15 1.01 -0.31 3.45 0.00 -0.74 -0.42 119.26 123.41 1jfc h ALA 229 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jfc h ALA 229 Cb 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jfc h ALA 229 CO -0.03 0.43 0.21 0.28 0.00 0.00 0.00 179.25 180.14 1jfc h VAL 230 N 1.09 1.08 -0.18 0.00 2.07 -1.01 -1.03 116.25 118.27 1jfc h VAL 230 Ca 0.29 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.55 1jfc h VAL 230 Cb -0.12 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1jfc h VAL 230 CO -0.06 0.08 -0.34 1.56 0.02 0.00 0.00 177.57 178.83 1jfc h GLN 231 N 0.42 0.37 -0.18 1.57 1.08 -0.66 0.19 115.11 117.90 1jfc h GLN 231 Ca 0.11 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1jfc h GLN 231 Cb -0.04 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1jfc h GLN 231 CO -0.02 0.67 -0.05 0.82 -0.95 0.00 0.00 178.83 179.30 1jfc h ILE 232 N 0.32 1.29 -0.68 2.54 2.04 -0.95 -1.13 117.51 120.94 1jfc h ILE 232 Ca 0.04 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 64.91 1jfc h ILE 232 Cb 0.76 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1jfc h ILE 232 CO 0.06 0.31 0.41 0.00 0.00 0.00 0.00 178.15 178.93 1jfc h ALA 233 N 0.72 0.89 -0.61 1.87 0.00 -0.98 -1.95 119.26 119.19 1jfc h ALA 233 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jfc h ALA 233 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1jfc h ALA 233 CO 0.02 0.15 0.30 0.35 0.00 0.00 0.00 179.25 180.08 1jfc h PHE 234 N 0.79 0.88 -0.51 0.00 3.04 -0.82 -1.54 116.94 118.77 1jfc h PHE 234 Ca 0.28 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.23 1jfc h PHE 234 Cb 0.06 -0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.26 1jfc h PHE 234 CO -0.05 0.66 0.27 1.25 -2.02 0.00 0.00 178.31 178.41 1jfc h LEU 235 N 0.84 0.39 -1.09 0.59 5.85 -0.92 -0.01 115.31 120.94 1jfc h LEU 235 Ca 0.21 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1jfc h LEU 235 Cb 0.11 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1jfc h LEU 235 CO -0.03 0.27 0.19 -0.07 -0.34 0.00 0.00 178.44 178.45 1jfc h LEU 236 N 0.52 0.76 0.18 2.25 3.38 -0.87 -0.32 115.31 121.21 1jfc h LEU 236 Ca 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jfc h LEU 236 Cb 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1jfc h LEU 236 CO -0.15 0.72 -0.09 0.25 0.09 0.00 0.00 178.44 179.25 1jfc h LEU 237 N 0.81 -0.21 0.00 1.67 5.85 -0.65 -3.37 115.31 119.41 1jfc h LEU 237 Ca 0.19 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1jfc h LEU 237 Cb 0.22 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1jfc h LEU 237 CO -0.01 0.10 -0.80 -0.37 -0.34 0.00 0.00 178.44 177.02 1jfc h VAL 238 N -0.53 0.00 -0.02 1.05 -1.51 -0.84 -3.31 116.25 111.10 1jfc h VAL 238 Ca -0.03 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1jfc h VAL 238 Cb 0.40 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1jfc h VAL 238 CO 0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.38 1jfc h ALA 239 N 2.24 0.02 -0.00 5.19 0.00 -1.22 -3.36 119.26 122.13 1jfc h ALA 239 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jfc h ALA 239 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1jfc h ALA 239 CO 0.00 -0.49 -0.12 0.41 0.00 0.00 0.00 179.25 179.05 1jfc n GLY 240 N -1.10 0.13 0.09 0.00 0.00 -1.26 -4.79 105.19 98.26 1jfc n GLY 240 Ca -0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1jfc n GLY 240 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jfc h ASN 241 N 0.24 -0.10 -0.15 1.61 -1.24 -1.71 -0.48 115.58 113.76 1jfc h ASN 241 Ca 0.00 -0.25 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 1jfc h ASN 241 Cb 0.11 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1jfc h ASN 241 CO 0.00 0.20 0.02 0.00 -1.29 0.00 0.00 177.43 176.36 1jfc h ALA 242 N 0.46 1.59 -0.38 1.57 0.00 -1.87 -1.49 119.26 119.14 1jfc h ALA 242 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1jfc h ALA 242 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1jfc h ALA 242 CO 0.02 0.30 0.10 1.15 0.00 0.00 0.00 179.25 180.82 1jfc h THR 243 N 0.35 1.22 -0.65 0.00 2.02 -1.76 -1.89 112.91 112.20 1jfc h THR 243 Ca 0.08 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1jfc h THR 243 Cb 0.20 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1jfc h THR 243 CO 0.00 0.26 0.38 0.24 0.37 0.00 0.00 175.52 176.77 1jfc h MET 244 N 0.47 0.70 -0.12 6.66 2.07 -0.21 0.57 114.93 125.06 1jfc h MET 244 Ca 0.12 -0.04 0.02 0.00 -2.07 0.00 0.00 59.70 57.73 1jfc h MET 244 Cb 0.30 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 29.85 1jfc h MET 244 CO 0.00 0.46 -0.01 0.28 1.07 0.00 0.00 176.91 178.71 1jfc h VAL 245 N 0.72 0.90 -0.93 -2.22 2.07 -1.15 -1.31 116.25 114.33 1jfc h VAL 245 Ca 0.28 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1jfc h VAL 245 Cb 0.11 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1jfc h VAL 245 CO -0.15 0.00 0.58 0.78 0.02 0.00 0.00 177.57 178.81 1jfc h ASN 246 N 0.02 1.09 -0.68 0.57 2.35 -0.99 -1.90 115.58 116.04 1jfc h ASN 246 Ca 0.06 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1jfc h ASN 246 Cb 0.08 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1jfc h ASN 246 CO -0.11 0.82 0.15 0.24 -1.65 0.00 0.00 177.43 176.88 1jfc h MET 247 N 1.27 1.10 0.13 0.81 2.86 -0.38 0.14 114.93 120.86 1jfc h MET 247 Ca 0.33 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1jfc h MET 247 Cb -0.09 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1jfc h MET 247 CO -0.07 0.99 -0.06 0.82 1.06 0.00 0.00 176.91 179.65 1jfc h ILE 248 N 1.03 0.90 -0.44 -1.22 2.04 -1.01 -0.54 117.51 118.28 1jfc h ILE 248 Ca 0.21 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1jfc h ILE 248 Cb 0.39 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1jfc h ILE 248 CO 0.01 0.03 0.27 0.00 0.00 0.00 0.00 178.15 178.45 1jfc h ALA 249 N 0.64 0.55 -0.58 1.87 0.00 -1.19 -1.91 119.26 118.65 1jfc h ALA 249 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jfc h ALA 249 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jfc h ALA 249 CO 0.03 0.03 0.31 -0.07 0.00 0.00 0.00 179.25 179.55 1jfc h LEU 250 N 0.58 0.71 -0.29 0.00 3.38 -0.65 -1.06 115.31 117.99 1jfc h LEU 250 Ca 0.16 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1jfc h LEU 250 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1jfc h LEU 250 CO -0.03 0.58 0.10 1.23 0.09 0.00 0.00 178.44 180.41 1jfc h GLY 251 N 0.88 0.47 0.92 0.83 0.00 -0.55 0.58 103.07 106.18 1jfc h GLY 251 Ca 0.21 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1jfc h GLY 251 CO -0.03 0.25 0.16 -2.08 0.00 0.00 0.00 176.54 174.83 1jfc h VAL 252 N 0.31 1.02 -0.78 4.60 2.07 -1.01 -1.44 116.25 121.02 1jfc h VAL 252 Ca 0.09 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1jfc h VAL 252 Cb 0.21 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1jfc h VAL 252 CO -0.01 0.06 0.48 0.00 0.02 0.00 0.00 177.57 178.12 1jfc h ALA 253 N 1.13 0.99 -0.74 1.67 0.00 -1.09 -2.00 119.26 119.22 1jfc h ALA 253 Ca 0.11 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1jfc h ALA 253 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1jfc h ALA 253 CO -0.06 0.45 0.23 1.15 0.00 0.00 0.00 179.25 181.02 1jfc h THR 254 N 1.07 1.26 -0.37 0.00 2.02 -0.57 0.07 112.91 116.38 1jfc h THR 254 Ca 0.28 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 1jfc h THR 254 Cb -0.05 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1jfc h THR 254 CO -0.05 0.36 -0.05 -0.07 0.37 0.00 0.00 175.52 176.07 1jfc h LEU 255 N 1.10 0.59 -0.85 2.58 3.38 -1.01 -1.90 115.31 119.20 1jfc h LEU 255 Ca 0.24 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1jfc h LEU 255 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jfc h LEU 255 CO -0.01 0.70 -0.33 0.00 0.09 0.00 0.00 178.44 178.89 1jfc h ALA 256 N 1.37 1.02 -0.27 1.53 0.00 -0.84 -3.24 119.26 118.83 1jfc h ALA 256 Ca 0.11 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1jfc h ALA 256 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1jfc h ALA 256 CO 0.02 0.59 -0.36 1.96 0.00 0.00 0.00 179.25 181.47 1jfc h GLN 257 N 0.40 0.72 -3.39 0.00 4.20 -0.23 -3.36 115.11 113.44 1jfc h GLN 257 Ca 0.05 -0.41 -0.70 0.00 0.06 0.00 0.00 58.65 57.65 1jfc h GLN 257 Cb 0.77 0.03 -0.36 0.00 0.30 0.00 0.00 27.48 28.22 1jfc h GLN 257 CO 0.06 1.03 -0.20 -1.01 -0.67 0.00 0.00 178.83 178.04 1jfc s HIS 258 N -4.24 3.71 0.45 2.96 3.76 -0.87 -4.98 115.29 116.07 1jfc s HIS 258 Ca -0.12 -2.93 0.22 0.00 -0.15 0.00 0.00 55.06 52.08 1jfc s HIS 258 Cb 0.09 -3.21 1.20 0.00 1.11 0.00 0.00 32.58 31.76 1jfc s HIS 258 CO 0.84 -0.76 1.86 -1.35 -0.85 0.00 0.00 174.74 174.47 1jfc h PRO 259 N 6.34 0.28 0.00 8.40 0.11 -1.72 -0.67 132.00 144.73 1jfc h PRO 259 Ca 0.10 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 1jfc h PRO 259 Cb 0.86 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1jfc h PRO 259 CO 0.80 0.19 -0.35 0.22 -0.21 0.00 0.00 178.00 178.64 1jfc h ASP 260 N 0.29 0.00 -0.49 -2.05 3.58 -1.94 -0.00 116.42 115.81 1jfc h ASP 260 Ca 0.47 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.84 1jfc h ASP 260 Cb 1.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 1jfc h ASP 260 CO -0.14 0.35 -0.01 1.56 -2.88 0.00 0.00 179.24 178.12 1jfc h GLN 261 N 0.00 0.87 -0.48 0.28 1.08 -1.44 -1.59 115.11 113.82 1jfc h GLN 261 Ca -0.00 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 1jfc h GLN 261 Cb 0.93 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 1jfc h GLN 261 CO 0.05 0.91 0.21 1.25 -0.95 0.00 0.00 178.83 180.30 1jfc h LEU 262 N 0.72 0.65 -0.65 1.46 5.85 -1.43 -1.04 115.31 120.88 1jfc h LEU 262 Ca 0.14 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1jfc h LEU 262 Cb 0.53 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1jfc h LEU 262 CO 0.03 0.62 0.33 0.00 -0.34 0.00 0.00 178.44 179.07 1jfc h ALA 263 N 1.06 0.87 -0.48 1.25 0.00 -0.82 -0.26 119.26 120.86 1jfc h ALA 263 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jfc h ALA 263 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jfc h ALA 263 CO -0.02 -0.04 0.25 1.96 0.00 0.00 0.00 179.25 181.40 1jfc h GLN 264 N 0.59 0.68 -0.40 0.00 4.20 -0.89 -1.45 115.11 117.84 1jfc h GLN 264 Ca 0.31 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.83 1jfc h GLN 264 Cb 0.27 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1jfc h GLN 264 CO -0.23 0.56 -0.13 1.25 -0.67 0.00 0.00 178.83 179.61 1jfc h LEU 265 N 0.64 0.71 -0.64 1.46 5.85 -0.71 -0.74 115.31 121.87 1jfc h LEU 265 Ca 0.17 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1jfc h LEU 265 Cb 0.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1jfc h LEU 265 CO -0.02 0.86 -0.00 0.11 -0.34 0.00 0.00 178.44 179.04 1jfc h LYS 266 N 0.65 1.06 0.00 1.25 1.57 -0.92 -2.62 116.57 117.56 1jfc h LYS 266 Ca 0.11 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1jfc h LYS 266 Cb 0.60 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1jfc h LYS 266 CO 0.04 1.03 -0.25 0.00 -0.57 0.00 0.00 179.45 179.71 1jfc h ALA 267 N 1.01 0.97 -1.78 3.86 0.00 -0.84 -3.40 119.26 119.09 1jfc h ALA 267 Ca 0.17 -0.23 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1jfc h ALA 267 Cb 0.56 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.02 1jfc h ALA 267 CO 0.03 0.31 -0.67 1.21 0.00 0.00 0.00 179.25 180.13 1jfc s ASN 268 N -6.22 0.60 0.19 0.00 3.84 -0.32 -4.99 114.94 108.04 1jfc s ASN 268 Ca 0.01 -1.69 0.16 0.00 0.21 0.00 0.00 52.86 51.55 1jfc s ASN 268 Cb 0.10 0.75 0.78 0.00 -0.55 0.00 0.00 41.25 42.32 1jfc s ASN 268 CO 0.65 -0.21 1.50 -2.65 -2.79 0.00 0.00 177.10 173.59 1jfc n PRO 269 N 3.95 0.10 0.00 0.43 -0.02 -1.02 -1.01 135.00 137.43 1jfc n PRO 269 Ca 0.14 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 1jfc n PRO 269 Cb 0.48 -1.77 0.20 0.00 -0.02 0.00 0.00 33.50 32.40 1jfc n PRO 269 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jfc n SER 270 N -1.97 0.00 0.00 2.55 3.41 -1.26 -1.28 113.62 115.07 1jfc n SER 270 Ca 0.01 0.46 0.15 0.00 -0.26 0.00 0.00 58.87 59.22 1jfc n SER 270 Cb 0.10 -0.47 0.82 0.00 -0.26 0.00 0.00 64.21 64.40 1jfc n SER 270 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jfc n LEU 271 N -1.47 0.00 -0.24 1.04 4.77 -0.18 -4.26 117.00 116.66 1jfc n LEU 271 Ca 0.03 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1jfc n LEU 271 Cb 0.10 -0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1jfc n LEU 271 CO 0.08 -0.00 1.11 0.00 -1.33 0.00 0.00 177.39 177.25 1jfc h ALA 272 N 3.64 0.91 -0.61 -1.18 0.00 -1.40 -0.93 119.26 119.69 1jfc h ALA 272 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jfc h ALA 272 Cb 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1jfc h ALA 272 CO 0.00 0.11 0.29 -1.35 0.00 0.00 0.00 179.25 178.30 1jfc h PRO 273 N 0.76 0.51 -0.15 0.00 0.11 -1.84 0.01 132.00 131.39 1jfc h PRO 273 Ca 0.29 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.23 1jfc h PRO 273 Cb 0.13 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1jfc h PRO 273 CO -0.15 0.34 -0.54 -0.56 -0.21 0.00 0.00 178.00 176.88 1jfc h GLN 274 N 0.53 0.44 -0.40 1.05 3.07 -1.72 -0.65 115.11 117.43 1jfc h GLN 274 Ca 0.29 -0.27 0.03 0.00 0.09 0.00 0.00 58.65 58.79 1jfc h GLN 274 Cb 0.27 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 1jfc h GLN 274 CO -0.23 0.87 0.20 0.35 0.09 0.00 0.00 178.83 180.11 1jfc h PHE 275 N 0.34 0.38 -0.71 0.06 3.57 -0.74 -1.91 116.94 117.94 1jfc h PHE 275 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1jfc h PHE 275 Cb 1.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1jfc h PHE 275 CO 0.04 0.20 0.33 0.28 -2.23 0.00 0.00 178.31 176.92 1jfc h VAL 276 N 0.41 1.24 -0.33 1.41 2.07 -0.71 0.25 116.25 120.58 1jfc h VAL 276 Ca 0.17 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1jfc h VAL 276 Cb 0.07 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1jfc h VAL 276 CO -0.12 0.28 0.11 -0.33 0.02 0.00 0.00 177.57 177.54 1jfc h GLU 277 N 0.99 0.24 -0.57 1.57 4.39 -0.87 -0.43 114.58 119.91 1jfc h GLU 277 Ca 0.24 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 1jfc h GLU 277 Cb 0.14 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1jfc h GLU 277 CO -0.03 0.16 -0.03 1.49 -1.16 0.00 0.00 179.01 179.44 1jfc h GLU 278 N 0.25 1.01 -0.71 2.33 4.57 -0.99 -2.53 114.58 118.51 1jfc h GLU 278 Ca 0.15 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1jfc h GLU 278 Cb 0.13 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1jfc h GLU 278 CO -0.16 1.01 0.45 1.25 -1.18 0.00 0.00 179.01 180.38 1jfc h LEU 279 N 0.92 0.83 -1.12 1.64 5.85 -0.58 0.43 115.31 123.28 1jfc h LEU 279 Ca 0.16 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1jfc h LEU 279 Cb 0.58 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1jfc h LEU 279 CO 0.03 0.62 -0.09 0.00 -0.34 0.00 0.00 178.44 178.67 1jfc h ARG 281 N 0.00 0.00 -0.32 0.00 2.43 -1.13 -3.35 114.38 112.01 1jfc h ARG 281 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1jfc h ARG 281 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1jfc h ARG 281 CO 0.01 0.67 -0.14 -0.92 -1.51 0.00 0.00 179.97 178.08 1jfc h TYR 282 N -1.00 0.76 -3.64 2.20 3.20 -0.84 -3.35 116.97 114.30 1jfc h TYR 282 Ca -0.00 -0.18 -0.73 0.00 3.14 0.00 0.00 58.73 60.95 1jfc h TYR 282 Cb 0.68 -0.18 -0.32 0.00 1.54 0.00 0.00 36.73 38.45 1jfc h TYR 282 CO 0.19 0.87 -0.20 -1.01 -1.64 0.00 0.00 178.16 176.36 1jfc s HIS 283 N -4.64 3.53 -1.17 -3.82 3.76 -0.21 -4.96 115.29 107.78 1jfc s HIS 283 Ca -0.13 -2.48 -0.16 0.00 -0.15 0.00 0.00 55.06 52.14 1jfc s HIS 283 Cb 0.09 -3.41 0.14 0.00 1.11 0.00 0.00 32.58 30.51 1jfc s HIS 283 CO 0.80 -0.89 1.44 0.99 -0.85 0.00 0.00 174.74 176.23 1jfc s THR 284 N -0.02 4.75 -0.82 1.30 2.01 -1.26 -4.58 115.64 117.02 1jfc s THR 284 Ca 0.17 -2.22 0.19 0.00 0.31 0.00 0.00 61.69 60.14 1jfc s THR 284 Cb -0.17 -4.95 0.17 0.00 0.01 0.00 0.00 72.50 67.57 1jfc s THR 284 CO -0.05 -1.69 1.58 0.00 -0.69 0.00 0.00 174.62 173.77 1jfc n ALA 285 N 6.48 1.72 -3.90 7.40 0.00 -1.26 -3.95 120.51 127.00 1jfc n ALA 285 Ca 0.37 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1jfc n ALA 285 Cb 0.45 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1jfc n ALA 285 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jfc s SER 286 N -3.46 4.40 0.00 0.00 0.15 -1.26 -4.51 113.70 109.02 1jfc s SER 286 Ca 0.07 -2.14 0.10 0.00 0.70 0.00 0.00 55.95 54.68 1jfc s SER 286 Cb 0.10 -1.35 0.04 0.00 -1.71 0.00 0.00 66.02 63.10 1jfc s SER 286 CO 0.33 -0.36 0.73 0.00 1.20 0.00 0.00 173.24 175.14 1jfc n ALA 287 N 4.24 2.66 -0.86 5.45 0.00 -1.25 -4.67 120.51 126.08 1jfc n ALA 287 Ca 0.03 -0.51 0.08 0.00 0.00 0.00 0.00 53.44 53.04 1jfc n ALA 287 Cb 0.40 -0.35 0.11 0.00 0.00 0.00 0.00 19.45 19.61 1jfc n ALA 287 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jfc n LEU 288 N 0.16 2.20 0.01 0.00 4.77 -1.26 -4.38 117.00 118.50 1jfc n LEU 288 Ca 0.05 -2.78 0.11 0.00 -0.03 0.00 0.00 56.01 53.36 1jfc n LEU 288 Cb 0.23 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1jfc n LEU 288 CO 0.10 0.65 -0.19 0.00 -1.33 0.00 0.00 177.39 176.61 1jfc n ALA 289 N -1.19 3.62 -3.11 -1.18 0.00 -1.26 -4.70 120.51 112.69 1jfc n ALA 289 Ca 0.12 -0.48 -0.45 0.00 0.00 0.00 0.00 53.44 52.63 1jfc n ALA 289 Cb 0.56 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 1jfc n ALA 289 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jfc s ILE 290 N -3.22 5.38 0.03 0.00 1.01 -1.26 -4.95 121.20 118.18 1jfc s ILE 290 Ca 0.02 -2.77 0.06 0.00 0.00 0.00 0.00 60.65 57.96 1jfc s ILE 290 Cb 0.15 -4.76 -0.02 0.00 0.01 0.00 0.00 42.46 37.84 1jfc s ILE 290 CO 0.84 -1.41 -0.17 -0.54 0.00 0.00 0.00 174.94 173.66 1jfc s LYS 291 N 0.63 1.20 0.17 2.79 1.02 -1.26 -0.71 119.74 123.58 1jfc s LYS 291 Ca 0.35 -0.79 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 1jfc s LYS 291 Cb -0.06 -1.24 -0.00 0.00 -0.52 0.00 0.00 37.83 36.00 1jfc s LYS 291 CO -0.05 0.32 0.32 1.03 -0.92 0.00 0.00 175.35 176.06 1jfc s ARG 292 N -0.97 1.20 0.09 1.68 1.81 -0.29 -4.63 118.95 117.84 1jfc s ARG 292 Ca 0.05 -1.13 0.08 0.00 -1.72 0.00 0.00 55.73 53.01 1jfc s ARG 292 Cb -0.08 0.40 -0.04 0.00 -0.45 0.00 0.00 34.95 34.78 1jfc s ARG 292 CO 0.01 -0.45 -0.18 -0.08 -0.68 0.00 0.00 175.30 173.91 1jfc s THR 293 N -3.96 2.80 -0.04 0.02 -1.32 -0.31 -0.79 115.64 112.04 1jfc s THR 293 Ca 0.16 -1.41 -0.30 0.00 -1.21 0.00 0.00 61.69 58.93 1jfc s THR 293 Cb 0.03 -2.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.74 1jfc s THR 293 CO -0.00 0.18 1.14 0.00 -2.21 0.00 0.00 174.62 173.73 1jfc s ALA 294 N -1.07 3.43 0.26 11.08 0.00 -0.23 -0.95 121.76 134.28 1jfc s ALA 294 Ca 0.17 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.80 1jfc s ALA 294 Cb -0.11 -3.47 0.34 0.00 0.00 0.00 0.00 23.12 19.88 1jfc s ALA 294 CO 0.08 -0.63 1.61 0.87 0.00 0.00 0.00 175.76 177.69 1jfc h LYS 295 N 7.22 0.13 -3.49 0.00 1.57 -1.22 0.18 116.57 120.96 1jfc h LYS 295 Ca -0.35 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1jfc h LYS 295 Cb 1.17 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 1jfc h LYS 295 CO 0.85 0.67 -0.04 -1.83 -0.57 0.00 0.00 179.45 178.53 1jfc s GLU 296 N -3.75 1.52 0.40 3.15 -1.05 -1.25 -4.70 118.70 113.02 1jfc s GLU 296 Ca -0.03 -1.11 -0.27 0.00 -0.15 0.00 0.00 54.97 53.41 1jfc s GLU 296 Cb 0.12 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 34.21 1jfc s GLU 296 CO 0.78 -0.64 1.43 -0.25 0.95 0.00 0.00 175.26 177.53 1jfc n ASP 297 N -0.37 3.44 -3.77 0.83 10.43 -1.26 -4.12 116.55 121.73 1jfc n ASP 297 Ca -0.04 1.18 -0.13 0.00 2.57 0.00 0.00 54.79 58.36 1jfc n ASP 297 Cb 0.62 -1.59 -0.14 0.00 1.84 0.00 0.00 41.12 41.84 1jfc n ASP 297 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1jfc s VAL 298 N -1.15 -0.04 -0.06 2.53 -7.23 0.06 -4.93 120.40 109.59 1jfc s VAL 298 Ca 0.57 0.14 -0.19 0.00 -1.81 0.00 0.00 61.98 60.68 1jfc s VAL 298 Cb -0.48 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 1jfc s VAL 298 CO 0.61 0.06 0.54 -0.04 -0.31 0.00 0.00 175.10 175.96 1jfc s MET 299 N 0.91 4.30 -0.21 4.82 -1.94 -1.26 -0.66 119.30 125.27 1jfc s MET 299 Ca -0.07 0.60 -0.02 0.00 -1.71 0.00 0.00 55.69 54.49 1jfc s MET 299 Cb -0.09 -3.38 0.06 0.00 2.01 0.00 0.00 34.83 33.43 1jfc s MET 299 CO -0.05 0.29 0.03 0.42 -0.01 0.00 0.00 175.02 175.70 1jfc s ILE 300 N 0.15 0.69 0.00 2.53 1.01 -0.06 -4.97 121.20 120.54 1jfc s ILE 300 Ca 0.29 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1jfc s ILE 300 Cb -0.17 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1jfc s ILE 300 CO 0.14 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1jfc n GLY 301 N 4.98 3.17 1.20 6.18 0.00 -1.26 -1.62 105.19 117.85 1jfc n GLY 301 Ca -0.09 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.79 1jfc n GLY 301 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfc n ASP 302 N 4.82 3.47 -4.34 1.61 3.85 -1.26 -4.91 116.55 119.79 1jfc n ASP 302 Ca 0.00 -2.38 -0.29 0.00 -0.71 0.00 0.00 54.79 51.42 1jfc n ASP 302 Cb 0.00 -0.51 -0.14 0.00 -1.35 0.00 0.00 41.12 39.12 1jfc n ASP 302 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1jfc s LYS 303 N -1.85 1.55 -0.28 0.11 -0.14 -0.64 -5.11 119.74 113.38 1jfc s LYS 303 Ca 0.33 -1.18 -0.12 0.00 -1.36 0.00 0.00 55.97 53.65 1jfc s LYS 303 Cb 0.23 -1.84 -0.05 0.00 -1.68 0.00 0.00 37.83 34.49 1jfc s LYS 303 CO 0.14 0.46 0.21 -1.17 -0.76 0.00 0.00 175.35 174.23 1jfc s LEU 304 N -1.58 4.03 -0.37 3.17 2.96 -1.26 -0.88 118.68 124.74 1jfc s LEU 304 Ca 0.12 0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.87 1jfc s LEU 304 Cb -0.10 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1jfc s LEU 304 CO 0.04 -0.07 0.51 -0.69 -1.32 0.00 0.00 176.35 174.82 1jfc s VAL 305 N 1.80 5.01 0.54 1.68 1.01 0.17 -4.99 120.40 125.62 1jfc s VAL 305 Ca 0.08 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 1jfc s VAL 305 Cb -0.16 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 1jfc s VAL 305 CO 0.11 -0.28 0.99 -0.13 0.00 0.00 0.00 175.10 175.79 1jfc s ARG 306 N 2.40 3.84 0.17 2.72 0.52 -1.26 -0.76 118.95 126.58 1jfc s ARG 306 Ca 0.18 0.88 -0.32 0.00 -0.52 0.00 0.00 55.73 55.94 1jfc s ARG 306 Cb -0.16 -2.13 -0.16 0.00 0.52 0.00 0.00 34.95 33.03 1jfc s ARG 306 CO 0.14 -0.35 1.04 0.00 0.02 0.00 0.00 175.30 176.15 1jfc n ALA 307 N -1.91 -1.31 -1.17 2.13 0.00 -1.26 -1.57 120.51 115.43 1jfc n ALA 307 Ca 0.06 0.46 -0.06 0.00 0.00 0.00 0.00 53.44 53.91 1jfc n ALA 307 Cb 0.54 -1.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 1jfc n ALA 307 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jfc n ASN 308 N 1.85 -4.06 -4.90 0.00 4.13 0.05 -4.97 115.26 107.37 1jfc n ASN 308 Ca 0.15 0.14 -0.33 0.00 1.68 0.00 0.00 54.58 56.22 1jfc n ASN 308 Cb 0.24 -2.07 -0.05 0.00 -1.54 0.00 0.00 39.78 36.36 1jfc n ASN 308 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1jfc s GLU 309 N -2.13 3.50 0.42 3.52 2.02 -0.61 -4.05 118.70 121.38 1jfc s GLU 309 Ca 0.00 -0.23 -0.09 0.00 0.02 0.00 0.00 54.97 54.67 1jfc s GLU 309 Cb 0.00 -3.07 -0.06 0.00 0.10 0.00 0.00 34.13 31.11 1jfc s GLU 309 CO 0.00 0.64 0.77 0.20 0.02 0.00 0.00 175.26 176.90 1jfc s GLY 310 N -1.95 1.86 -0.02 -1.39 0.00 -1.10 -1.07 107.32 103.65 1jfc s GLY 310 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1jfc s GLY 310 CO 0.19 -0.07 0.01 -0.42 0.00 0.00 0.00 173.10 172.80 1jfc s ILE 311 N -2.44 0.06 -0.18 0.90 1.01 0.03 -0.65 121.20 119.92 1jfc s ILE 311 Ca 0.50 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1jfc s ILE 311 Cb -0.10 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.25 1jfc s ILE 311 CO 0.34 0.08 -0.20 -0.63 0.00 0.00 0.00 174.94 174.53 1jfc s ILE 312 N 0.65 2.07 -0.36 2.92 1.01 0.71 -1.14 121.20 127.05 1jfc s ILE 312 Ca -0.06 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 1jfc s ILE 312 Cb -0.09 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.55 1jfc s ILE 312 CO -0.02 0.54 0.17 0.00 0.00 0.00 0.00 174.94 175.64 1jfc s ALA 313 N 1.27 3.20 -0.66 9.38 0.00 0.12 -1.11 121.76 133.96 1jfc s ALA 313 Ca 0.05 -1.73 -0.28 0.00 0.00 0.00 0.00 51.96 50.00 1jfc s ALA 313 Cb -0.13 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1jfc s ALA 313 CO -0.13 -1.38 1.24 0.45 0.00 0.00 0.00 175.76 175.95 1jfc s SER 314 N 1.50 6.29 0.45 0.00 0.15 -0.21 -4.42 113.70 117.48 1jfc s SER 314 Ca 0.01 -0.17 0.18 0.00 0.70 0.00 0.00 55.95 56.67 1jfc s SER 314 Cb -0.19 -2.56 1.07 0.00 -1.71 0.00 0.00 66.02 62.63 1jfc s SER 314 CO 0.05 -1.67 1.97 -0.55 1.20 0.00 0.00 173.24 174.24 1jfc h ASN 315 N 9.83 0.00 -0.07 5.45 -1.07 -1.88 -1.39 115.58 126.45 1jfc h ASN 315 Ca -0.27 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.10 1jfc h ASN 315 Cb 1.05 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.30 1jfc h ASN 315 CO 1.23 0.21 0.03 -0.61 0.07 0.00 0.00 177.43 178.37 1jfc h GLN 316 N 0.00 0.09 -0.69 4.14 4.15 -1.89 -1.24 115.11 119.68 1jfc h GLN 316 Ca -0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1jfc h GLN 316 Cb 0.42 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1jfc h GLN 316 CO 0.03 0.16 0.29 1.03 -1.93 0.00 0.00 178.83 178.40 1jfc h SER 317 N 0.00 0.94 -0.90 -0.69 0.87 -1.79 -2.71 113.55 109.26 1jfc h SER 317 Ca 0.02 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1jfc h SER 317 Cb 0.09 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 1jfc h SER 317 CO -0.00 0.84 0.59 0.00 -0.53 0.00 0.00 176.83 177.72 1jfc h ALA 318 N 1.13 1.48 0.00 6.23 0.00 -1.13 -0.94 119.26 126.03 1jfc h ALA 318 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jfc h ALA 318 Cb 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jfc h ALA 318 CO -0.02 0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.72 1jfc n ASN 319 N -4.47 0.00 -0.64 0.00 3.02 -0.48 -2.08 115.26 110.61 1jfc n ASN 319 Ca 0.13 0.35 0.07 0.00 -0.03 0.00 0.00 54.58 55.09 1jfc n ASN 319 Cb 0.16 -0.43 0.18 0.00 -0.61 0.00 0.00 39.78 39.08 1jfc n ASN 319 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jfc n ARG 320 N -1.43 2.79 -2.45 3.52 5.12 -0.39 -4.81 116.66 119.01 1jfc n ARG 320 Ca 0.06 -2.36 -0.43 0.00 -1.93 0.00 0.00 57.85 53.19 1jfc n ARG 320 Cb 0.21 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 1jfc n ARG 320 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1jfc s ASP 321 N -1.51 6.60 0.60 0.55 -1.08 -0.88 -4.76 116.67 116.18 1jfc s ASP 321 Ca 0.29 0.98 0.37 0.00 -0.52 0.00 0.00 52.55 53.67 1jfc s ASP 321 Cb 0.21 -2.54 1.88 0.00 -1.46 0.00 0.00 42.92 41.00 1jfc s ASP 321 CO 0.11 -1.18 2.19 -0.33 0.52 0.00 0.00 175.17 176.48 1jfc h GLU 322 N 9.53 0.00 0.00 4.34 3.07 -1.91 -0.03 114.58 129.58 1jfc h GLU 322 Ca -0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 1jfc h GLU 322 Cb 1.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1jfc h GLU 322 CO 1.06 0.03 -0.05 1.49 -1.40 0.00 0.00 179.01 180.14 1jfc h GLU 323 N 0.00 0.00 0.00 2.33 4.81 -1.98 -3.36 114.58 116.38 1jfc h GLU 323 Ca -0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1jfc h GLU 323 Cb 0.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1jfc h GLU 323 CO 0.00 0.05 -1.83 0.28 -0.73 0.00 0.00 179.01 176.79 1jfc n VAL 324 N -3.15 1.14 -3.72 0.32 0.31 -0.44 -4.94 118.33 107.85 1jfc n VAL 324 Ca 0.01 -0.18 -0.38 0.00 -0.01 0.00 0.00 64.34 63.78 1jfc n VAL 324 Cb 0.39 -1.83 -0.11 0.00 -0.91 0.00 0.00 33.84 31.37 1jfc n VAL 324 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1jfc s PHE 325 N -2.41 3.40 0.35 3.52 0.40 -0.15 -4.70 117.98 118.38 1jfc s PHE 325 Ca -0.26 -1.86 -0.28 0.00 -0.60 0.00 0.00 56.93 53.93 1jfc s PHE 325 Cb 0.09 -2.85 -0.11 0.00 0.51 0.00 0.00 43.02 40.66 1jfc s PHE 325 CO 0.34 -0.87 1.46 -2.00 0.70 0.00 0.00 175.22 174.85 1jfc s GLU 326 N 1.31 4.16 -1.16 0.44 2.12 -1.26 -2.77 118.70 121.53 1jfc s GLU 326 Ca 0.03 2.50 -0.20 0.00 0.36 0.00 0.00 54.97 57.65 1jfc s GLU 326 Cb -0.22 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1jfc s GLU 326 CO -0.00 -0.48 0.76 0.09 -0.54 0.00 0.00 175.26 175.09 1jfc n ASN 327 N 0.81 -4.86 0.28 -1.70 3.02 -1.26 -4.85 115.26 106.70 1jfc n ASN 327 Ca 0.02 -1.03 0.17 0.00 -0.03 0.00 0.00 54.58 53.70 1jfc n ASN 327 Cb 0.39 -3.28 0.71 0.00 -0.61 0.00 0.00 39.78 37.00 1jfc n ASN 327 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1jfc h PRO 328 N -1.93 0.00 -0.20 3.52 0.13 -1.82 -2.18 132.00 129.52 1jfc h PRO 328 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1jfc h PRO 328 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1jfc h PRO 328 CO 0.49 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.06 1jfc n ASP 329 N -3.17 1.86 -4.76 1.44 8.00 -1.26 -4.80 116.55 113.86 1jfc n ASP 329 Ca -0.00 -1.75 -0.37 0.00 0.71 0.00 0.00 54.79 53.37 1jfc n ASP 329 Cb 0.29 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1jfc n ASP 329 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1jfc s GLU 330 N -1.75 4.17 -0.34 -1.24 2.12 -0.82 -5.06 118.70 115.78 1jfc s GLU 330 Ca 0.32 0.27 -0.25 0.00 0.36 0.00 0.00 54.97 55.67 1jfc s GLU 330 Cb 0.18 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 31.21 1jfc s GLU 330 CO 0.26 0.34 0.90 0.12 -0.54 0.00 0.00 175.26 176.34 1jfc s PHE 331 N 0.10 3.13 -0.25 5.30 5.36 -1.26 -5.01 117.98 125.35 1jfc s PHE 331 Ca 0.21 0.84 -0.04 0.00 -0.96 0.00 0.00 56.93 56.98 1jfc s PHE 331 Cb -0.14 -3.50 0.09 0.00 -0.34 0.00 0.00 43.02 39.12 1jfc s PHE 331 CO 0.08 -0.73 0.11 1.21 -1.46 0.00 0.00 175.22 174.43 1jfc s ASN 332 N 1.75 3.21 0.57 6.13 3.04 -1.26 -4.99 114.94 123.39 1jfc s ASN 332 Ca 0.37 -1.10 0.38 0.00 0.04 0.00 0.00 52.86 52.55 1jfc s ASN 332 Cb -0.13 -0.40 2.00 0.00 -1.54 0.00 0.00 41.25 41.19 1jfc s ASN 332 CO 0.16 -0.40 2.17 0.00 -3.04 0.00 0.00 177.10 175.99 1jfc h MET 333 N 8.36 0.00 -0.68 0.43 -0.00 -1.93 -1.03 114.93 120.09 1jfc h MET 333 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 1jfc h MET 333 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.66 1jfc h MET 333 CO 0.39 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 177.39 1jfc n ASN 334 N -2.90 4.57 -4.56 -0.10 5.03 -1.26 -4.42 115.26 111.62 1jfc n ASN 334 Ca -0.02 -2.69 -0.45 0.00 0.87 0.00 0.00 54.58 52.29 1jfc n ASN 334 Cb 0.11 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.21 1jfc n ASN 334 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1jfc n ARG 335 N 0.50 1.15 -2.95 3.52 0.63 -0.39 -4.93 116.66 114.19 1jfc n ARG 335 Ca 0.21 0.40 -0.43 0.00 -0.92 0.00 0.00 57.85 57.11 1jfc n ARG 335 Cb 0.96 -1.72 -0.05 0.00 0.45 0.00 0.00 32.46 32.10 1jfc n ARG 335 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1jfc s LYS 336 N -1.48 3.24 0.18 -0.14 2.20 -1.26 -5.03 119.74 117.46 1jfc s LYS 336 Ca 0.59 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 1jfc s LYS 336 Cb -0.73 -4.08 -0.08 0.00 -1.51 0.00 0.00 37.83 31.43 1jfc s LYS 336 CO 0.59 -1.42 0.94 -1.58 -0.36 0.00 0.00 175.35 173.52 1jfc s TRP 337 N 3.48 3.91 1.02 4.03 0.52 -1.26 -4.93 118.94 125.71 1jfc s TRP 337 Ca 0.24 1.85 -0.17 0.00 0.02 0.00 0.00 56.10 58.04 1jfc s TRP 337 Cb -0.15 -2.99 0.23 0.00 -1.15 0.00 0.00 33.47 29.40 1jfc s TRP 337 CO 0.16 0.36 1.30 -1.25 0.02 0.00 0.00 176.95 177.55 1jfc s PRO 338 N -0.70 0.19 0.43 4.98 0.04 -1.26 -4.97 135.00 133.70 1jfc s PRO 338 Ca 0.43 -0.42 0.21 0.00 0.04 0.00 0.00 61.00 61.26 1jfc s PRO 338 Cb -0.25 -1.79 0.96 0.00 0.04 0.00 0.00 34.50 33.46 1jfc s PRO 338 CO 0.31 -2.72 1.87 -1.00 0.04 0.00 0.00 177.00 175.50 1jfc h PRO 339 N -1.86 0.00 -6.57 0.56 0.13 -1.97 -3.44 132.00 118.85 1jfc h PRO 339 Ca -0.44 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 1jfc h PRO 339 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1jfc h PRO 339 CO 0.34 0.27 0.44 -0.65 -0.23 0.00 0.00 178.00 178.17 1jfc s GLN 340 N -3.91 4.60 0.28 0.86 1.11 -1.26 -5.00 119.66 116.34 1jfc s GLN 340 Ca -0.01 1.60 -0.29 0.00 0.01 0.00 0.00 55.36 56.67 1jfc s GLN 340 Cb 0.12 -3.34 -0.10 0.00 -1.01 0.00 0.00 33.01 28.68 1jfc s GLN 340 CO 0.66 0.05 1.38 -0.51 0.01 0.00 0.00 175.29 176.88 1jfc s ASP 341 N 0.24 6.70 0.69 5.90 1.11 -1.26 -5.01 116.67 125.04 1jfc s ASP 341 Ca 0.50 2.66 -0.16 0.00 0.18 0.00 0.00 52.55 55.73 1jfc s ASP 341 Cb -0.26 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.11 1jfc s ASP 341 CO 0.32 -0.63 1.22 -2.16 1.18 0.00 0.00 175.17 175.09 1jfc s PRO 342 N -0.90 2.36 -0.23 8.23 0.04 -1.26 -4.96 135.00 138.28 1jfc s PRO 342 Ca 0.55 1.83 0.12 0.00 0.04 0.00 0.00 61.00 63.54 1jfc s PRO 342 Cb -0.41 -1.85 0.48 0.00 0.04 0.00 0.00 34.50 32.76 1jfc s PRO 342 CO 0.47 -1.68 1.39 1.28 0.04 0.00 0.00 177.00 178.50 1jfc n LEU 343 N -2.37 3.70 0.17 -3.56 4.77 -1.26 -4.69 117.00 113.76 1jfc n LEU 343 Ca 0.14 -3.51 0.15 0.00 -0.03 0.00 0.00 56.01 52.76 1jfc n LEU 343 Cb 0.50 -0.58 0.74 0.00 -2.33 0.00 0.00 43.42 41.75 1jfc n LEU 343 CO 0.47 1.05 1.13 1.23 -1.33 0.00 0.00 177.39 179.95 1jfc h GLY 344 N 1.08 0.00 -1.74 -0.72 0.00 -1.87 -1.86 103.07 97.96 1jfc h GLY 344 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1jfc h GLY 344 CO 0.26 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.49 1jfc n PHE 345 N -4.18 0.95 -4.18 5.60 3.01 -1.26 -4.73 117.46 112.67 1jfc n PHE 345 Ca 0.02 -0.77 0.00 0.00 1.01 0.00 0.00 57.45 57.71 1jfc n PHE 345 Cb 0.31 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1jfc n PHE 345 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jfc n GLY 346 N -0.12 -0.66 3.52 1.37 0.00 -0.70 -1.16 105.19 107.44 1jfc n GLY 346 Ca 0.20 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1jfc n GLY 346 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jfc s PHE 347 N 0.00 -0.43 0.00 1.61 5.36 -1.26 -4.71 117.98 118.54 1jfc s PHE 347 Ca 0.00 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1jfc s PHE 347 Cb 0.00 0.49 0.00 0.00 -0.34 0.00 0.00 43.02 43.17 1jfc s PHE 347 CO 0.00 -0.54 0.00 0.41 -1.46 0.00 0.00 175.22 173.63 1jfc n GLY 348 N 0.21 -1.68 0.23 13.12 0.00 -1.26 -3.72 105.19 112.08 1jfc n GLY 348 Ca -0.12 -1.37 0.06 0.00 0.00 0.00 0.00 46.02 44.59 1jfc n GLY 348 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jfc h ASP 349 N 0.00 0.00 0.21 1.61 3.45 -1.96 -2.06 116.42 117.68 1jfc h ASP 349 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1jfc h ASP 349 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1jfc h ASP 349 CO 0.00 0.18 -0.06 1.41 -1.57 0.00 0.00 179.24 179.20 1jfc n HIS 350 N -4.27 0.00 -1.54 4.55 8.25 -1.26 -4.94 115.22 116.00 1jfc n HIS 350 Ca -0.02 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.96 1jfc n HIS 350 Cb 0.24 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1jfc n HIS 350 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jfc n ARG 351 N -0.79 0.94 -1.69 -0.41 0.63 -0.78 -4.59 116.66 109.97 1jfc n ARG 351 Ca 0.18 0.33 -0.65 0.00 -0.92 0.00 0.00 57.85 56.78 1jfc n ARG 351 Cb 0.24 -1.67 -0.09 0.00 0.45 0.00 0.00 32.46 31.40 1jfc n ARG 351 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jfc h ILE 353 N 4.58 0.91 -0.60 0.00 2.10 -1.92 -2.41 117.51 120.17 1jfc h ILE 353 Ca -0.46 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1jfc h ILE 353 Cb 1.38 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1jfc h ILE 353 CO 0.91 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 178.00 1jfc n ALA 354 N -2.56 3.32 -0.20 0.18 0.00 -1.26 -4.64 120.51 115.35 1jfc n ALA 354 Ca 0.04 -1.62 -0.01 0.00 0.00 0.00 0.00 53.44 51.86 1jfc n ALA 354 Cb 0.30 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 18.79 1jfc n ALA 354 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1jfc h GLU 355 N 3.92 0.41 -0.46 0.00 4.81 -1.77 0.24 114.58 121.73 1jfc h GLU 355 Ca 0.00 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1jfc h GLU 355 Cb 1.57 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1jfc h GLU 355 CO 0.31 0.27 -0.13 0.45 -0.73 0.00 0.00 179.01 179.18 1jfc h HIS 356 N 0.42 1.01 -0.07 0.92 -0.00 -1.82 -1.16 115.15 114.45 1jfc h HIS 356 Ca 0.29 -0.22 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1jfc h HIS 356 Cb 0.34 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1jfc h HIS 356 CO -0.16 1.00 0.04 1.25 -0.00 0.00 0.00 177.93 180.06 1jfc h LEU 357 N 0.74 0.09 -0.34 2.43 5.85 -1.61 -1.09 115.31 121.37 1jfc h LEU 357 Ca 0.11 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1jfc h LEU 357 Cb 0.68 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1jfc h LEU 357 CO 0.05 0.13 0.19 0.00 -0.34 0.00 0.00 178.44 178.48 1jfc h ALA 358 N 0.96 0.42 -0.56 1.25 0.00 -0.48 0.11 119.26 120.96 1jfc h ALA 358 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jfc h ALA 358 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1jfc h ALA 358 CO -0.00 -0.16 0.21 0.87 0.00 0.00 0.00 179.25 180.17 1jfc h LYS 359 N 0.40 0.81 -0.43 0.00 1.57 -1.12 -0.32 116.57 117.48 1jfc h LYS 359 Ca 0.13 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1jfc h LYS 359 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1jfc h LYS 359 CO -0.07 0.67 -0.17 0.00 -0.57 0.00 0.00 179.45 179.31 1jfc h ALA 360 N 1.44 0.60 -0.30 3.86 0.00 -0.57 0.13 119.26 124.42 1jfc h ALA 360 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jfc h ALA 360 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jfc h ALA 360 CO -0.02 0.54 0.20 0.93 0.00 0.00 0.00 179.25 180.90 1jfc h GLU 361 N 0.70 0.40 -0.48 0.00 5.08 -0.39 -0.86 114.58 119.02 1jfc h GLU 361 Ca 0.10 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1jfc h GLU 361 Cb 0.72 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1jfc h GLU 361 CO 0.06 0.27 0.04 -0.07 -1.00 0.00 0.00 179.01 178.30 1jfc h LEU 362 N 0.41 0.80 -0.73 1.33 3.38 -0.92 -0.94 115.31 118.64 1jfc h LEU 362 Ca 0.11 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1jfc h LEU 362 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1jfc h LEU 362 CO -0.02 0.89 0.18 0.71 0.09 0.00 0.00 178.44 180.28 1jfc h THR 363 N 0.69 1.26 -0.37 0.22 1.35 -0.63 -0.46 112.91 114.97 1jfc h THR 363 Ca 0.14 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 65.01 1jfc h THR 363 Cb 0.45 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1jfc h THR 363 CO 0.02 0.38 0.16 0.74 -0.25 0.00 0.00 175.52 176.57 1jfc h THR 364 N 1.09 1.18 0.17 6.82 2.02 -0.96 -0.70 112.91 122.53 1jfc h THR 364 Ca 0.23 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1jfc h THR 364 Cb 0.37 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1jfc h THR 364 CO 0.00 0.19 -0.26 0.58 0.37 0.00 0.00 175.52 176.41 1jfc h VAL 365 N 0.46 0.44 -0.00 3.16 2.07 -0.88 -2.54 116.25 118.95 1jfc h VAL 365 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1jfc h VAL 365 Cb 0.15 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1jfc h VAL 365 CO -0.01 0.00 -0.01 0.49 0.02 0.00 0.00 177.57 178.06 1jfc n PHE 366 N -5.38 0.00 1.11 1.57 3.01 -0.20 -0.68 117.46 116.88 1jfc n PHE 366 Ca -0.07 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.51 1jfc n PHE 366 Cb 0.29 -0.41 0.16 0.00 -0.01 0.00 0.00 39.48 39.50 1jfc n PHE 366 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jfc n SER 367 N -1.41 1.66 -0.02 4.37 3.41 -0.28 -4.61 113.62 116.73 1jfc n SER 367 Ca 0.10 -1.29 -0.04 0.00 -0.26 0.00 0.00 58.87 57.38 1jfc n SER 367 Cb 0.30 0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1jfc n SER 367 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jfc n THR 368 N -0.23 0.23 -0.24 6.66 -1.04 -0.95 -4.71 114.28 114.00 1jfc n THR 368 Ca 0.11 -0.07 0.05 0.00 -2.04 0.00 0.00 64.05 62.09 1jfc n THR 368 Cb 0.42 -1.17 0.17 0.00 -1.82 0.00 0.00 70.33 67.94 1jfc n THR 368 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jfc h LEU 369 N -0.09 0.15 -0.37 -4.42 5.85 -1.13 -0.54 115.31 114.76 1jfc h LEU 369 Ca -0.10 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jfc h LEU 369 Cb 1.11 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1jfc h LEU 369 CO -0.04 0.04 -0.38 -1.22 -0.34 0.00 0.00 178.44 176.50 1jfc n TYR 370 N -5.07 0.00 -0.01 1.25 4.02 -1.26 -1.00 117.16 115.09 1jfc n TYR 370 Ca 0.13 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.85 1jfc n TYR 370 Cb 0.42 -0.14 -0.10 0.00 -0.02 0.00 0.00 39.34 39.50 1jfc n TYR 370 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1jfc h GLN 371 N 0.91 0.49 -0.16 -0.72 1.08 -1.59 -2.72 115.11 112.40 1jfc h GLN 371 Ca 0.00 -0.47 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 1jfc h GLN 371 Cb 0.52 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1jfc h GLN 371 CO 0.00 1.11 0.06 -0.22 -0.95 0.00 0.00 178.83 178.82 1jfc h LYS 372 N 0.04 0.25 -2.45 1.46 1.63 -1.07 -3.38 116.57 113.04 1jfc h LYS 372 Ca -0.06 -0.05 -0.60 0.00 -0.85 0.00 0.00 60.65 59.09 1jfc h LYS 372 Cb 1.29 -0.04 -0.41 0.00 -0.60 0.00 0.00 32.23 32.47 1jfc h LYS 372 CO 0.12 0.35 -0.74 1.19 -3.45 0.00 0.00 179.45 176.92 1jfc n PHE 373 N -4.85 2.07 0.31 1.91 0.99 -0.17 -4.95 117.46 112.78 1jfc n PHE 373 Ca -0.05 -3.96 0.20 0.00 -0.00 0.00 0.00 57.45 53.65 1jfc n PHE 373 Cb 0.13 -0.41 0.99 0.00 -1.00 0.00 0.00 39.48 39.20 1jfc n PHE 373 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1jfc h PRO 374 N 4.73 0.00 -0.46 -1.08 0.13 -1.68 -2.06 132.00 131.59 1jfc h PRO 374 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1jfc h PRO 374 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1jfc h PRO 374 CO 0.66 0.00 0.03 -0.25 -0.23 0.00 0.00 178.00 178.21 1jfc n ASP 375 N -3.04 4.75 -4.73 1.44 8.00 -1.26 -5.00 116.55 116.71 1jfc n ASP 375 Ca -0.02 -3.04 -0.42 0.00 0.71 0.00 0.00 54.79 52.02 1jfc n ASP 375 Cb 0.16 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.60 1jfc n ASP 375 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jfc s LEU 376 N -2.85 4.36 0.00 0.64 2.96 -0.77 -4.45 118.68 118.57 1jfc s LEU 376 Ca 0.49 2.91 0.00 0.00 -0.22 0.00 0.00 54.13 57.31 1jfc s LEU 376 Cb 0.39 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.46 1jfc s LEU 376 CO 0.12 -0.96 -0.01 -0.54 -1.32 0.00 0.00 176.35 173.63 1jfc s LYS 377 N 0.63 0.13 0.16 1.98 1.02 -0.29 -5.00 119.74 118.36 1jfc s LYS 377 Ca 0.71 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 56.23 1jfc s LYS 377 Cb -0.49 -0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 36.69 1jfc s LYS 377 CO 0.37 0.01 1.45 0.08 -0.92 0.00 0.00 175.35 176.34 1jfc s VAL 378 N -0.34 2.98 -1.69 3.17 1.01 -1.26 -1.47 120.40 122.80 1jfc s VAL 378 Ca -0.03 0.72 0.18 0.00 0.00 0.00 0.00 61.98 62.85 1jfc s VAL 378 Cb -0.02 -3.46 0.57 0.00 0.00 0.00 0.00 36.38 33.47 1jfc s VAL 378 CO -0.00 0.07 1.47 0.00 0.00 0.00 0.00 175.10 176.64 1jfc n ALA 379 N 3.64 2.64 -2.29 5.51 0.00 0.27 -4.83 120.51 125.45 1jfc n ALA 379 Ca 0.11 -1.18 -0.16 0.00 0.00 0.00 0.00 53.44 52.21 1jfc n ALA 379 Cb 0.41 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 1jfc n ALA 379 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jfc s VAL 380 N -1.42 1.40 0.40 0.00 -7.23 -1.26 -4.97 120.40 107.32 1jfc s VAL 380 Ca 0.42 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.21 1jfc s VAL 380 Cb 0.24 -1.96 -0.11 0.00 0.56 0.00 0.00 36.38 35.12 1jfc s VAL 380 CO 0.25 -0.66 1.28 -2.65 -0.31 0.00 0.00 175.10 173.01 1jfc n PRO 381 N -0.29 2.00 0.18 4.82 -0.02 -1.26 -4.86 135.00 135.58 1jfc n PRO 381 Ca -0.09 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 1jfc n PRO 381 Cb 0.61 -2.37 0.52 0.00 -0.02 0.00 0.00 33.50 32.24 1jfc n PRO 381 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jfc h LEU 382 N 2.24 0.13 -0.13 2.45 3.38 -1.99 0.13 115.31 121.51 1jfc h LEU 382 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1jfc h LEU 382 Cb 1.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1jfc h LEU 382 CO 0.61 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1jfc n GLY 383 N -1.28 -1.02 1.13 0.83 0.00 -1.26 -2.39 105.19 101.21 1jfc n GLY 383 Ca -0.01 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1jfc n GLY 383 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jfc n LYS 384 N -1.63 2.49 -1.66 1.61 4.76 0.45 -4.99 118.16 119.20 1jfc n LYS 384 Ca 0.03 -2.30 -0.44 0.00 -2.87 0.00 0.00 58.31 52.73 1jfc n LYS 384 Cb 0.17 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 1jfc n LYS 384 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1jfc n ILE 385 N 1.44 1.56 -3.06 -0.18 5.41 -1.00 -4.90 119.36 118.62 1jfc n ILE 385 Ca 0.19 -0.39 -0.45 0.00 1.00 0.00 0.00 62.75 63.11 1jfc n ILE 385 Cb 0.59 -1.38 -0.04 0.00 -0.71 0.00 0.00 39.64 38.10 1jfc n ILE 385 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1jfc s ASN 386 N -0.13 6.33 0.66 4.38 0.02 -1.26 -5.02 114.94 119.92 1jfc s ASN 386 Ca 0.62 -1.63 -0.10 0.00 -1.02 0.00 0.00 52.86 50.73 1jfc s ASN 386 Cb -0.64 -2.33 0.00 0.00 0.02 0.00 0.00 41.25 38.30 1jfc s ASN 386 CO 0.57 -1.09 1.04 -0.31 0.02 0.00 0.00 177.10 177.32 1jfc s TYR 387 N 2.61 3.38 0.83 2.20 1.51 -1.26 -0.83 117.35 125.79 1jfc s TYR 387 Ca 0.18 1.02 -0.13 0.00 -1.01 0.00 0.00 57.07 57.13 1jfc s TYR 387 Cb -0.18 -2.92 0.06 0.00 -0.11 0.00 0.00 41.96 38.81 1jfc s TYR 387 CO 0.02 -0.99 0.94 0.25 -1.11 0.00 0.00 175.55 174.66 1jfc n THR 388 N -2.86 1.38 -1.63 -0.71 -2.24 -0.45 -4.59 114.28 103.18 1jfc n THR 388 Ca 0.06 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1jfc n THR 388 Cb 0.57 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 1jfc n THR 388 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1jfc n PRO 389 N -2.70 1.31 0.30 -0.78 -0.02 -1.26 -4.85 135.00 127.01 1jfc n PRO 389 Ca 0.12 0.48 0.19 0.00 -2.02 0.00 0.00 63.50 62.27 1jfc n PRO 389 Cb 0.51 -2.14 0.92 0.00 -0.02 0.00 0.00 33.50 32.77 1jfc n PRO 389 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jfc h LEU 390 N 1.31 0.00 -0.73 2.45 3.38 -1.92 -1.48 115.31 118.32 1jfc h LEU 390 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1jfc h LEU 390 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1jfc h LEU 390 CO 0.55 0.01 0.00 -0.46 0.09 0.00 0.00 178.44 178.63 1jfc n ASN 391 N -3.13 1.06 -4.74 -0.43 2.04 -1.26 -0.61 115.26 108.19 1jfc n ASN 391 Ca -0.01 -2.00 -0.25 0.00 -0.44 0.00 0.00 54.58 51.87 1jfc n ASN 391 Cb 0.20 -0.14 -0.07 0.00 -2.53 0.00 0.00 39.78 37.24 1jfc n ASN 391 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1jfc s ARG 392 N -1.74 2.21 0.58 -3.83 1.81 -0.56 -4.93 118.95 112.49 1jfc s ARG 392 Ca 0.13 -1.89 -0.19 0.00 -1.72 0.00 0.00 55.73 52.06 1jfc s ARG 392 Cb 0.07 -1.95 -0.06 0.00 -0.45 0.00 0.00 34.95 32.56 1jfc s ARG 392 CO 0.09 -0.14 0.98 -0.25 -0.68 0.00 0.00 175.30 175.30 1jfc n ASP 393 N -1.24 0.88 -4.77 0.23 8.00 -1.26 -4.79 116.55 113.60 1jfc n ASP 393 Ca -0.02 0.84 -0.40 0.00 0.71 0.00 0.00 54.79 55.92 1jfc n ASP 393 Cb 0.65 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1jfc n ASP 393 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jfc s VAL 394 N -1.48 2.32 0.00 2.53 0.11 -1.26 -4.81 120.40 117.81 1jfc s VAL 394 Ca 0.74 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 1jfc s VAL 394 Cb -0.43 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1jfc s VAL 394 CO 0.49 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1jfc n GLY 395 N 0.61 -0.91 2.96 6.54 0.00 -1.26 -4.67 105.19 108.46 1jfc n GLY 395 Ca 0.04 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1jfc n GLY 395 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfc s ILE 396 N -2.00 0.86 -0.06 -0.61 1.01 -1.26 -1.34 121.20 117.80 1jfc s ILE 396 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 1jfc s ILE 396 Cb 0.00 -0.82 -0.29 0.00 0.01 0.00 0.00 42.46 41.36 1jfc s ILE 396 CO 0.00 0.30 0.91 0.58 0.00 0.00 0.00 174.94 176.72 1jfc h VAL 397 N 6.05 1.57 -3.50 2.92 2.07 -1.23 -3.46 116.25 120.67 1jfc h VAL 397 Ca -0.34 -2.38 -0.10 0.00 0.82 0.00 0.00 66.70 64.70 1jfc h VAL 397 Cb 1.17 3.13 -0.16 0.00 -1.52 0.00 0.00 31.29 33.91 1jfc h VAL 397 CO 0.47 0.66 -0.32 1.51 0.02 0.00 0.00 177.57 179.91 1jfc s ASP 398 N -6.72 -0.02 -0.34 0.57 1.47 -1.25 -4.89 116.67 105.48 1jfc s ASP 398 Ca -0.15 -0.34 0.02 0.00 1.18 0.00 0.00 52.55 53.25 1jfc s ASP 398 Cb 0.00 0.33 0.15 0.00 -0.34 0.00 0.00 42.92 43.06 1jfc s ASP 398 CO 0.79 -0.62 0.34 -0.22 0.68 0.00 0.00 175.17 176.14 1jfc s LEU 399 N -2.22 -0.04 0.25 2.11 2.96 -1.26 -4.31 118.68 116.16 1jfc s LEU 399 Ca -0.03 -1.37 -0.31 0.00 -0.22 0.00 0.00 54.13 52.20 1jfc s LEU 399 Cb 0.00 0.48 -0.11 0.00 0.50 0.00 0.00 46.19 47.06 1jfc s LEU 399 CO -0.05 -0.30 1.57 -2.84 -1.32 0.00 0.00 176.35 173.41 1jfc s PRO 400 N 1.69 4.17 0.06 0.98 0.02 -1.26 -0.89 135.00 139.77 1jfc s PRO 400 Ca 0.15 2.49 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1jfc s PRO 400 Cb -0.15 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 1jfc s PRO 400 CO -0.12 -0.60 -0.07 0.14 -0.33 0.00 0.00 177.00 176.02 1jfc s VAL 401 N 0.34 0.54 0.33 3.83 -7.23 0.24 -0.57 120.40 117.89 1jfc s VAL 401 Ca 0.65 -1.38 0.09 0.00 -1.81 0.00 0.00 61.98 59.53 1jfc s VAL 401 Cb -0.46 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 1jfc s VAL 401 CO 0.42 -0.58 -0.08 0.27 -0.31 0.00 0.00 175.10 174.82 1jfc s ILE 402 N -2.24 2.06 0.00 -0.62 -5.25 -0.54 -1.71 121.20 112.90 1jfc s ILE 402 Ca -0.03 -2.17 0.00 0.00 -0.99 0.00 0.00 60.65 57.47 1jfc s ILE 402 Cb -0.04 -2.64 0.00 0.00 2.95 0.00 0.00 42.46 42.73 1jfc s ILE 402 CO -0.02 -0.20 0.00 2.22 -1.79 0.00 0.00 174.94 175.15