#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyn n ARG 14 N 0.00 -2.52 0.29 5.56 1.74 -1.26 -4.76 116.66 115.71 1jyn n ARG 14 Ca 0.00 0.40 0.19 0.00 -0.77 0.00 0.00 57.85 57.67 1jyn n ARG 14 Cb 0.00 -4.29 1.03 0.00 -1.02 0.00 0.00 32.46 28.19 1jyn n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1jyn h ASP 15 N -1.90 0.00 -0.01 0.55 3.32 -1.95 -1.05 116.42 115.37 1jyn h ASP 15 Ca -0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1jyn h ASP 15 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1jyn h ASP 15 CO 0.58 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.43 1jyn n TRP 16 N -2.85 0.02 -2.48 4.55 2.14 -1.26 -3.21 117.44 114.35 1jyn n TRP 16 Ca -0.03 -0.01 -0.16 0.00 2.07 0.00 0.00 57.50 59.38 1jyn n TRP 16 Cb 0.08 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.61 1jyn n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1jyn n GLU 17 N -0.67 2.57 -3.26 -2.67 1.02 -0.40 -0.51 120.64 116.73 1jyn n GLU 17 Ca 0.12 -3.89 -0.04 0.00 -0.02 0.00 0.00 57.16 53.33 1jyn n GLU 17 Cb 0.07 -1.88 -0.04 0.00 -0.02 0.00 0.00 31.44 29.57 1jyn n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jyn s ASN 18 N -3.53 -0.36 0.00 1.62 3.84 -1.20 -4.78 114.94 110.53 1jyn s ASN 18 Ca 0.39 0.09 0.16 0.00 0.21 0.00 0.00 52.86 53.71 1jyn s ASN 18 Cb 0.40 1.48 0.74 0.00 -0.55 0.00 0.00 41.25 43.32 1jyn s ASN 18 CO -0.04 -0.31 1.47 -0.81 -2.79 0.00 0.00 177.10 174.62 1jyn n PRO 19 N 5.38 0.13 0.06 0.43 -0.04 -1.26 -1.06 135.00 138.65 1jyn n PRO 19 Ca 0.00 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1jyn n PRO 19 Cb 0.51 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.95 1jyn n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jyn n GLY 20 N 0.08 -1.57 2.88 0.55 0.00 -1.26 -4.31 105.19 101.55 1jyn n GLY 20 Ca 0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1jyn n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jyn s VAL 21 N -3.08 1.50 -1.20 1.61 1.01 -0.22 -4.90 120.40 115.12 1jyn s VAL 21 Ca 0.11 -1.66 0.16 0.00 0.00 0.00 0.00 61.98 60.59 1jyn s VAL 21 Cb 0.14 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1jyn s VAL 21 CO 0.54 -0.50 0.78 0.35 0.00 0.00 0.00 175.10 176.27 1jyn n THR 22 N 4.61 0.00 -3.56 3.92 -2.24 -1.26 -4.80 114.28 110.95 1jyn n THR 22 Ca -0.03 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.42 1jyn n THR 22 Cb 0.43 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 1jyn n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyn s GLN 23 N -2.08 0.55 -0.03 -0.78 1.03 -1.26 -1.29 119.66 115.79 1jyn s GLN 23 Ca 0.11 -0.11 -0.01 0.00 0.04 0.00 0.00 55.36 55.39 1jyn s GLN 23 Cb 0.12 0.25 0.03 0.00 0.03 0.00 0.00 33.01 33.45 1jyn s GLN 23 CO 0.48 -0.22 0.04 -0.51 -2.54 0.00 0.00 175.29 172.54 1jyn s LEU 24 N -1.94 0.60 -1.52 2.60 1.43 -0.70 -4.87 118.68 114.27 1jyn s LEU 24 Ca 0.05 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1jyn s LEU 24 Cb -0.01 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.10 1jyn s LEU 24 CO -0.05 -0.19 0.00 0.59 0.23 0.00 0.00 176.35 176.93 1jyn n ASN 25 N 4.76 -4.73 -4.83 2.29 3.02 -1.26 -1.54 115.26 112.97 1jyn n ASN 25 Ca -0.15 0.31 -0.33 0.00 -0.03 0.00 0.00 54.58 54.38 1jyn n ASN 25 Cb 0.50 -3.58 -0.07 0.00 -0.61 0.00 0.00 39.78 36.03 1jyn n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jyn s ARG 26 N -3.44 4.17 0.61 3.52 3.52 -1.26 -4.65 118.95 121.41 1jyn s ARG 26 Ca 0.00 0.96 -0.08 0.00 -0.13 0.00 0.00 55.73 56.48 1jyn s ARG 26 Cb 0.00 -2.35 -0.01 0.00 -1.56 0.00 0.00 34.95 31.03 1jyn s ARG 26 CO 0.00 0.08 0.95 -0.51 -0.81 0.00 0.00 175.30 175.02 1jyn s LEU 27 N -2.96 3.21 0.82 -0.88 1.43 0.60 -5.00 118.68 115.90 1jyn s LEU 27 Ca 0.57 0.98 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 1jyn s LEU 27 Cb -0.11 -3.86 0.08 0.00 0.03 0.00 0.00 46.19 42.33 1jyn s LEU 27 CO 0.16 -1.02 1.15 0.00 0.23 0.00 0.00 176.35 176.87 1jyn n ALA 28 N -2.67 -0.22 -2.01 4.21 0.00 -1.26 -4.66 120.51 113.90 1jyn n ALA 28 Ca 0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 1jyn n ALA 28 Cb 0.56 -2.21 0.01 0.00 0.00 0.00 0.00 19.45 17.81 1jyn n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jyn s ALA 29 N -2.16 3.18 0.01 0.00 0.00 -1.26 -4.97 121.76 116.57 1jyn s ALA 29 Ca 0.72 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1jyn s ALA 29 Cb -0.29 -2.88 0.10 0.00 0.00 0.00 0.00 23.12 20.05 1jyn s ALA 29 CO 0.52 -0.66 1.15 -3.38 0.00 0.00 0.00 175.76 173.39 1jyn s HIS 30 N -3.06 -0.10 1.00 0.00 -3.43 -1.26 -4.87 115.29 103.57 1jyn s HIS 30 Ca 0.53 -0.06 -0.12 0.00 -0.80 0.00 0.00 55.06 54.61 1jyn s HIS 30 Cb -0.11 0.57 0.19 0.00 -1.43 0.00 0.00 32.58 31.80 1jyn s HIS 30 CO 0.50 -0.45 1.09 -2.14 -2.00 0.00 0.00 174.74 171.75 1jyn s PRO 31 N -2.73 0.39 -0.04 -0.38 0.02 -1.19 -4.30 135.00 126.77 1jyn s PRO 31 Ca 0.12 0.49 -0.36 0.00 0.02 0.00 0.00 61.00 61.27 1jyn s PRO 31 Cb 0.02 -1.73 -0.14 0.00 0.02 0.00 0.00 34.50 32.66 1jyn s PRO 31 CO -0.03 -2.75 1.65 -2.30 -0.33 0.00 0.00 177.00 173.24 1jyn n PRO 32 N -4.19 1.65 -4.54 5.54 -0.02 -1.26 -4.98 135.00 127.21 1jyn n PRO 32 Ca 0.05 0.60 -0.26 0.00 -2.02 0.00 0.00 63.50 61.88 1jyn n PRO 32 Cb 0.57 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1jyn n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1jyn s PHE 33 N 2.35 2.37 0.00 6.00 0.08 -1.26 -4.80 117.98 122.72 1jyn s PHE 33 Ca 0.89 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.43 1jyn s PHE 33 Cb -0.85 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 1jyn s PHE 33 CO 0.51 0.57 0.00 0.00 -0.10 0.00 0.00 175.22 176.20 1jyn n ALA 34 N -0.78 0.00 -3.79 5.36 0.00 -1.26 -5.04 120.51 115.01 1jyn n ALA 34 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1jyn n ALA 34 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.12 1jyn n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jyn n SER 35 N 0.00 -4.66 -4.75 0.00 2.88 -1.26 -4.14 113.62 101.69 1jyn n SER 35 Ca 0.00 -1.08 -0.35 0.00 -1.33 0.00 0.00 58.87 56.11 1jyn n SER 35 Cb 0.01 -3.00 0.04 0.00 -0.75 0.00 0.00 64.21 60.52 1jyn n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1jyn s TRP 36 N -3.52 2.34 -0.21 0.66 0.51 -0.10 -4.60 118.94 114.02 1jyn s TRP 36 Ca 0.44 1.53 0.15 0.00 -2.12 0.00 0.00 56.10 56.11 1jyn s TRP 36 Cb -0.18 -3.47 0.36 0.00 -0.81 0.00 0.00 33.47 29.37 1jyn s TRP 36 CO 0.89 -2.27 1.25 0.54 -0.51 0.00 0.00 176.95 176.85 1jyn n ARG 37 N -1.84 2.25 -3.69 4.98 5.12 -1.26 -1.12 116.66 121.11 1jyn n ARG 37 Ca 0.13 -2.53 -0.17 0.00 -1.93 0.00 0.00 57.85 53.36 1jyn n ARG 37 Cb 0.50 -1.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.07 1jyn n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1jyn s ASN 38 N -2.14 0.63 0.30 0.55 3.84 -1.26 -5.00 114.94 111.86 1jyn s ASN 38 Ca 0.32 0.24 0.08 0.00 0.21 0.00 0.00 52.86 53.71 1jyn s ASN 38 Cb 0.26 0.13 0.48 0.00 -0.55 0.00 0.00 41.25 41.57 1jyn s ASN 38 CO 0.06 -0.22 1.70 0.28 -2.79 0.00 0.00 177.10 176.13 1jyn h SER 39 N 8.09 0.16 -0.01 -4.21 0.02 -1.98 -2.91 113.55 112.71 1jyn h SER 39 Ca -0.21 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 1jyn h SER 39 Cb 1.12 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1jyn h SER 39 CO 0.22 0.60 -0.22 -0.08 -1.14 0.00 0.00 176.83 176.21 1jyn h GLU 40 N 0.12 0.39 -0.64 3.45 4.57 -1.99 -1.22 114.58 119.26 1jyn h GLU 40 Ca 0.01 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1jyn h GLU 40 Cb 0.85 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 1jyn h GLU 40 CO 0.07 0.59 0.15 0.93 -1.18 0.00 0.00 179.01 179.57 1jyn h GLU 41 N 0.36 1.04 -0.33 1.92 5.08 -1.92 -2.01 114.58 118.71 1jyn h GLU 41 Ca 0.06 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1jyn h GLU 41 Cb 0.58 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1jyn h GLU 41 CO 0.04 0.94 -0.06 0.00 -1.00 0.00 0.00 179.01 178.93 1jyn h ALA 42 N 1.05 1.28 -0.57 3.43 0.00 -1.23 -1.14 119.26 122.08 1jyn h ALA 42 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1jyn h ALA 42 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1jyn h ALA 42 CO 0.00 0.48 0.02 -0.09 0.00 0.00 0.00 179.25 179.66 1jyn h ARG 43 N 0.51 0.97 -0.44 0.00 2.43 -0.68 -3.03 114.38 114.14 1jyn h ARG 43 Ca 0.10 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1jyn h ARG 43 Cb 0.42 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1jyn h ARG 43 CO 0.02 0.95 0.00 0.25 -1.51 0.00 0.00 179.97 179.68 1jyn n THR 44 N -4.20 0.57 -3.18 0.20 -2.24 -0.81 -4.95 114.28 99.67 1jyn n THR 44 Ca 0.03 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.88 1jyn n THR 44 Cb 0.32 0.76 0.05 0.00 -2.10 0.00 0.00 70.33 69.36 1jyn n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jyn n ASP 45 N 1.33 -5.58 -4.83 3.42 2.03 -0.55 -5.00 116.55 107.37 1jyn n ASP 45 Ca 0.20 -0.36 -0.32 0.00 0.52 0.00 0.00 54.79 54.83 1jyn n ASP 45 Cb 0.56 -4.30 0.00 0.00 -0.72 0.00 0.00 41.12 36.67 1jyn n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1jyn s ARG 46 N -5.84 3.49 0.48 -0.67 0.52 -0.54 -4.99 118.95 111.40 1jyn s ARG 46 Ca 0.39 0.99 -0.23 0.00 -0.52 0.00 0.00 55.73 56.35 1jyn s ARG 46 Cb -0.17 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.16 1jyn s ARG 46 CO 0.48 -0.66 1.16 -2.30 0.02 0.00 0.00 175.30 174.00 1jyn n PRO 47 N -2.26 1.52 -4.22 3.54 -0.02 -1.26 -4.86 135.00 127.45 1jyn n PRO 47 Ca 0.07 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1jyn n PRO 47 Cb 0.54 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.62 1jyn n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jyn s SER 48 N -0.81 5.21 0.38 2.55 0.15 -1.26 -4.97 113.70 114.95 1jyn s SER 48 Ca 0.67 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 57.58 1jyn s SER 48 Cb -0.48 -1.85 1.25 0.00 -1.71 0.00 0.00 66.02 63.23 1jyn s SER 48 CO 0.54 0.19 1.84 1.56 1.20 0.00 0.00 173.24 178.56 1jyn h GLN 49 N 6.59 0.00 -0.00 5.44 4.20 -1.91 -1.45 115.11 127.98 1jyn h GLN 49 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1jyn h GLN 49 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1jyn h GLN 49 CO 0.66 0.00 -0.05 1.04 -0.67 0.00 0.00 178.83 179.81 1jyn n GLN 50 N -2.54 0.70 -3.94 1.46 3.00 -1.26 -4.63 117.38 110.16 1jyn n GLN 50 Ca 0.01 -0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.55 1jyn n GLN 50 Cb 0.21 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.80 1jyn n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1jyn s LEU 51 N -2.40 3.82 -0.02 1.08 2.96 -0.55 -1.37 118.68 122.20 1jyn s LEU 51 Ca 0.33 -1.88 -0.01 0.00 -0.22 0.00 0.00 54.13 52.35 1jyn s LEU 51 Cb 0.21 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1jyn s LEU 51 CO 0.45 -0.36 0.06 -0.13 -1.32 0.00 0.00 176.35 175.04 1jyn s ARG 52 N 1.15 3.04 -0.03 1.98 0.52 0.00 -4.70 118.95 120.91 1jyn s ARG 52 Ca 0.08 -0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.67 1jyn s ARG 52 Cb -0.19 -2.84 -0.05 0.00 0.52 0.00 0.00 34.95 32.39 1jyn s ARG 52 CO -0.12 0.66 0.40 0.45 0.02 0.00 0.00 175.30 176.71 1jyn s SER 53 N -1.54 6.76 -0.03 0.23 0.15 -1.26 -0.14 113.70 117.87 1jyn s SER 53 Ca 0.20 0.90 0.14 0.00 0.70 0.00 0.00 55.95 57.89 1jyn s SER 53 Cb -0.12 -2.24 0.41 0.00 -1.71 0.00 0.00 66.02 62.36 1jyn s SER 53 CO 0.11 0.28 1.34 0.18 1.20 0.00 0.00 173.24 176.35 1jyn n LEU 54 N 2.14 3.33 -4.75 3.45 4.77 0.93 -4.92 117.00 121.95 1jyn n LEU 54 Ca -0.13 -2.14 -0.34 0.00 -0.03 0.00 0.00 56.01 53.37 1jyn n LEU 54 Cb 0.52 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1jyn n LEU 54 CO 0.38 0.77 0.77 0.20 -1.33 0.00 0.00 177.39 178.18 1jyn s ASN 55 N -1.10 4.70 0.00 -1.43 0.01 -1.21 -4.85 114.94 111.07 1jyn s ASN 55 Ca 0.31 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.63 1jyn s ASN 55 Cb 0.18 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1jyn s ASN 55 CO 0.18 -1.91 0.00 0.61 -1.51 0.00 0.00 177.10 174.47 1jyn n GLY 56 N -0.09 0.45 3.67 0.66 0.00 0.06 -4.99 105.19 104.96 1jyn n GLY 56 Ca 0.12 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 1jyn n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jyn s GLU 57 N -1.54 4.26 0.47 1.61 2.02 -1.26 -0.91 118.70 123.34 1jyn s GLU 57 Ca 0.00 0.66 0.04 0.00 0.02 0.00 0.00 54.97 55.69 1jyn s GLU 57 Cb 0.00 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1jyn s GLU 57 CO 0.00 -0.17 0.01 -1.58 0.02 0.00 0.00 175.26 173.54 1jyn s TRP 58 N 1.67 2.15 -0.12 1.61 0.52 -0.44 -4.94 118.94 119.39 1jyn s TRP 58 Ca 0.30 -0.83 -0.05 0.00 0.02 0.00 0.00 56.10 55.54 1jyn s TRP 58 Cb -0.16 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1jyn s TRP 58 CO 0.11 0.31 0.07 1.03 0.02 0.00 0.00 176.95 178.50 1jyn s ARG 59 N -3.81 3.42 -0.08 4.98 1.81 -0.47 -0.71 118.95 124.08 1jyn s ARG 59 Ca 0.19 -0.28 -0.06 0.00 -1.72 0.00 0.00 55.73 53.85 1jyn s ARG 59 Cb 0.05 -3.06 0.03 0.00 -0.45 0.00 0.00 34.95 31.52 1jyn s ARG 59 CO 0.10 0.62 0.21 0.12 -0.68 0.00 0.00 175.30 175.67 1jyn s PHE 60 N -0.61 -0.25 0.01 -0.53 5.36 0.10 -0.56 117.98 121.50 1jyn s PHE 60 Ca 0.11 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 56.71 1jyn s PHE 60 Cb -0.12 0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 1jyn s PHE 60 CO 0.02 -0.15 -0.07 0.00 -1.46 0.00 0.00 175.22 173.57 1jyn s ALA 61 N 0.48 0.52 -0.10 11.12 0.00 -0.47 -1.22 121.76 132.09 1jyn s ALA 61 Ca -0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1jyn s ALA 61 Cb -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1jyn s ALA 61 CO -0.02 0.07 0.03 -0.46 0.00 0.00 0.00 175.76 175.37 1jyn s TRP 62 N -0.61 3.25 0.11 0.00 -0.00 -1.26 -0.69 118.94 119.74 1jyn s TRP 62 Ca -0.02 0.24 0.04 0.00 -0.00 0.00 0.00 56.10 56.35 1jyn s TRP 62 Cb -0.05 -1.84 -0.04 0.00 -0.00 0.00 0.00 33.47 31.54 1jyn s TRP 62 CO 0.00 0.49 -0.10 -0.06 -0.00 0.00 0.00 176.95 177.29 1jyn s PHE 63 N -0.81 1.10 -0.75 5.86 0.08 -0.24 -5.00 117.98 118.22 1jyn s PHE 63 Ca 0.13 -0.72 0.26 0.00 0.12 0.00 0.00 56.93 56.71 1jyn s PHE 63 Cb -0.12 -0.59 0.77 0.00 -0.57 0.00 0.00 43.02 42.51 1jyn s PHE 63 CO 0.03 0.00 1.71 -0.35 -0.10 0.00 0.00 175.22 176.51 1jyn n PRO 64 N 0.25 0.24 -3.49 0.24 -0.04 -1.26 -0.98 135.00 129.96 1jyn n PRO 64 Ca -0.14 0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1jyn n PRO 64 Cb 0.59 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1jyn n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jyn s ALA 65 N -3.10 -1.75 0.51 0.55 0.00 -1.23 -0.84 121.76 115.89 1jyn s ALA 65 Ca 0.10 1.02 0.15 0.00 0.00 0.00 0.00 51.96 53.23 1jyn s ALA 65 Cb 0.13 0.28 1.22 0.00 0.00 0.00 0.00 23.12 24.75 1jyn s ALA 65 CO 0.61 -0.57 2.14 -1.00 0.00 0.00 0.00 175.76 176.94 1jyn h PRO 66 N 2.36 0.06 0.00 0.00 0.13 -1.88 0.02 132.00 132.69 1jyn h PRO 66 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1jyn h PRO 66 Cb 1.22 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jyn h PRO 66 CO 0.35 0.05 0.00 0.93 -0.23 0.00 0.00 178.00 179.10 1jyn h GLU 67 N 0.06 0.00 -0.01 0.86 3.07 -1.95 -2.01 114.58 114.61 1jyn h GLU 67 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1jyn h GLU 67 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jyn h GLU 67 CO -0.00 0.00 -0.15 0.00 -1.40 0.00 0.00 179.01 177.46 1jyn n ALA 68 N -2.05 2.87 -2.52 3.43 0.00 -0.01 -4.89 120.51 117.34 1jyn n ALA 68 Ca -0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 1jyn n ALA 68 Cb 0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1jyn n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jyn s VAL 69 N -2.27 4.41 0.25 0.00 1.01 -0.76 -4.98 120.40 118.05 1jyn s VAL 69 Ca 0.30 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 1jyn s VAL 69 Cb 0.20 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1jyn s VAL 69 CO 0.44 0.15 1.15 -2.84 0.00 0.00 0.00 175.10 174.00 1jyn s PRO 70 N 0.90 4.56 0.44 2.72 0.02 -1.26 -4.91 135.00 137.47 1jyn s PRO 70 Ca 0.55 1.86 0.15 0.00 0.02 0.00 0.00 61.00 63.58 1jyn s PRO 70 Cb -0.26 -3.20 1.06 0.00 0.02 0.00 0.00 34.50 32.13 1jyn s PRO 70 CO 0.29 0.06 1.95 0.93 -0.33 0.00 0.00 177.00 179.91 1jyn h GLU 71 N 4.33 0.38 -0.78 5.54 3.07 -1.99 -0.84 114.58 124.29 1jyn h GLU 71 Ca -0.46 -0.02 0.22 0.00 -0.50 0.00 0.00 59.36 58.59 1jyn h GLU 71 Cb 1.21 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.00 1jyn h GLU 71 CO 0.70 0.25 0.55 0.66 -1.40 0.00 0.00 179.01 179.77 1jyn h SER 72 N 0.39 0.06 0.09 1.42 4.64 -1.93 -1.21 113.55 117.02 1jyn h SER 72 Ca 0.32 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 1jyn h SER 72 Cb 0.71 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1jyn h SER 72 CO -0.09 0.03 -0.08 -0.25 -0.87 0.00 0.00 176.83 175.57 1jyn h TRP 73 N 0.06 0.00 -0.22 4.77 7.01 -1.29 -1.45 115.95 124.84 1jyn h TRP 73 Ca 0.37 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.34 1jyn h TRP 73 Cb 1.40 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.45 1jyn h TRP 73 CO -0.00 0.08 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.64 1jyn h LEU 74 N 0.00 0.29 0.00 0.65 3.38 -1.39 -3.24 115.31 115.00 1jyn h LEU 74 Ca -0.00 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1jyn h LEU 74 Cb 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1jyn h LEU 74 CO 0.01 0.37 -2.03 1.21 0.09 0.00 0.00 178.44 178.09 1jyn n GLU 75 N -4.34 0.82 -3.89 1.13 4.07 -0.95 -3.52 120.64 113.96 1jyn n GLU 75 Ca 0.00 -0.10 -0.11 0.00 -0.06 0.00 0.00 57.16 56.89 1jyn n GLU 75 Cb 0.21 -1.45 -0.12 0.00 -0.06 0.00 0.00 31.44 30.02 1jyn n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jyn n ASP 77 N 2.25 2.44 -4.70 0.00 2.03 -1.26 -4.08 116.55 113.22 1jyn n ASP 77 Ca -0.18 1.19 -0.42 0.00 0.52 0.00 0.00 54.79 55.89 1jyn n ASP 77 Cb 0.57 -1.43 -0.03 0.00 -0.72 0.00 0.00 41.12 39.52 1jyn n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jyn s LEU 78 N -0.43 4.33 0.52 -2.67 1.43 -1.26 -4.92 118.68 115.69 1jyn s LEU 78 Ca 0.59 1.66 0.20 0.00 -1.03 0.00 0.00 54.13 55.55 1jyn s LEU 78 Cb -0.62 -3.57 1.37 0.00 0.03 0.00 0.00 46.19 43.40 1jyn s LEU 78 CO 0.59 -0.35 2.14 -0.65 0.23 0.00 0.00 176.35 178.30 1jyn h PRO 79 N 6.93 0.00 0.00 1.29 0.11 -2.02 -0.99 132.00 137.32 1jyn h PRO 79 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1jyn h PRO 79 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jyn h PRO 79 CO 0.80 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 1jyn n GLU 80 N -4.26 0.37 -0.88 1.05 4.71 -1.26 -4.86 120.64 115.51 1jyn n GLU 80 Ca -0.03 0.01 -0.29 0.00 -0.01 0.00 0.00 57.16 56.84 1jyn n GLU 80 Cb 0.13 -1.50 0.18 0.00 -1.01 0.00 0.00 31.44 29.24 1jyn n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jyn s ALA 81 N -2.62 0.81 0.37 0.62 0.00 -0.38 -4.96 121.76 115.60 1jyn s ALA 81 Ca 0.26 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1jyn s ALA 81 Cb 0.20 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1jyn s ALA 81 CO 0.45 -2.97 0.18 -0.51 0.00 0.00 0.00 175.76 172.92 1jyn s ASP 82 N -2.97 4.66 -0.21 0.00 1.01 -0.35 -4.88 116.67 113.91 1jyn s ASP 82 Ca 0.66 -0.86 -0.14 0.00 0.71 0.00 0.00 52.55 52.92 1jyn s ASP 82 Cb -0.21 -0.64 -0.04 0.00 1.01 0.00 0.00 42.92 43.04 1jyn s ASP 82 CO 0.60 -0.42 0.33 -0.89 0.21 0.00 0.00 175.17 175.00 1jyn s THR 83 N -2.48 5.24 0.10 -1.27 2.01 -1.26 -0.72 115.64 117.27 1jyn s THR 83 Ca 0.40 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1jyn s THR 83 Cb -0.01 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1jyn s THR 83 CO 0.23 0.27 -0.01 0.68 -0.69 0.00 0.00 174.62 175.10 1jyn s VAL 84 N 1.26 0.40 0.31 3.82 -7.23 0.11 -4.95 120.40 114.13 1jyn s VAL 84 Ca 0.16 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.23 1jyn s VAL 84 Cb -0.14 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 1jyn s VAL 84 CO 0.07 -0.74 0.82 -0.69 -0.31 0.00 0.00 175.10 174.25 1jyn s VAL 85 N -3.82 4.49 -0.03 1.32 1.01 -1.26 -1.33 120.40 120.77 1jyn s VAL 85 Ca 0.15 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.52 1jyn s VAL 85 Cb 0.07 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 1jyn s VAL 85 CO -0.03 -0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.22 1jyn s VAL 86 N -1.80 1.17 0.55 2.92 1.01 -0.09 -4.14 120.40 120.02 1jyn s VAL 86 Ca 0.51 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1jyn s VAL 86 Cb -0.14 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1jyn s VAL 86 CO 0.19 0.34 1.06 -2.16 0.00 0.00 0.00 175.10 174.53 1jyn s PRO 87 N 0.04 3.50 0.04 2.72 0.04 -1.26 -0.76 135.00 139.32 1jyn s PRO 87 Ca -0.02 1.30 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 1jyn s PRO 87 Cb -0.10 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1jyn s PRO 87 CO 0.01 -0.67 0.85 -1.54 0.04 0.00 0.00 177.00 175.69 1jyn s SER 88 N -2.40 -0.37 -0.20 6.66 1.04 -0.01 -4.92 113.70 113.50 1jyn s SER 88 Ca 0.66 -0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.96 1jyn s SER 88 Cb -0.17 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1jyn s SER 88 CO 0.30 -0.71 0.08 0.20 0.98 0.00 0.00 173.24 174.08 1jyn s ASN 89 N -2.58 5.64 0.62 7.02 -0.87 -1.26 -3.20 114.94 120.31 1jyn s ASN 89 Ca 0.05 0.05 0.35 0.00 -1.57 0.00 0.00 52.86 51.74 1jyn s ASN 89 Cb -0.01 -1.98 2.03 0.00 -0.02 0.00 0.00 41.25 41.27 1jyn s ASN 89 CO -0.08 0.13 2.29 4.11 -2.57 0.00 0.00 177.10 180.98 1jyn h TRP 90 N 7.03 0.00 -0.42 2.20 0.09 -1.83 0.46 115.95 123.48 1jyn h TRP 90 Ca -0.37 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 58.57 1jyn h TRP 90 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 30.39 1jyn h TRP 90 CO 0.59 0.00 0.11 1.96 0.09 0.00 0.00 178.44 181.19 1jyn h GLN 91 N 0.00 0.63 0.00 0.12 7.50 -1.80 -2.51 115.11 119.05 1jyn h GLN 91 Ca 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 58.65 59.05 1jyn h GLN 91 Cb 0.02 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.45 1jyn h GLN 91 CO -0.00 0.57 0.00 -1.33 -1.50 0.00 0.00 178.83 176.57 1jyn n MET 92 N -4.32 0.12 0.00 1.46 2.81 0.15 -1.70 117.12 115.64 1jyn n MET 92 Ca 0.03 0.37 0.11 0.00 -1.81 0.00 0.00 57.70 56.40 1jyn n MET 92 Cb 0.19 -1.74 0.04 0.00 -0.71 0.00 0.00 33.22 31.00 1jyn n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1jyn n HIS 93 N -1.98 0.00 -0.54 2.03 8.25 -0.97 -4.98 115.22 117.04 1jyn n HIS 93 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1jyn n HIS 93 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1jyn n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jyn n GLY 94 N 1.32 0.74 0.17 -1.41 0.00 -0.69 -4.95 105.19 100.37 1jyn n GLY 94 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1jyn n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jyn h TYR 95 N 0.00 0.21 -3.46 1.61 0.05 -1.73 -3.46 116.97 110.19 1jyn h TYR 95 Ca 0.00 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 1jyn h TYR 95 Cb 0.00 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.66 1jyn h TYR 95 CO 0.00 0.68 0.06 0.16 -1.05 0.00 0.00 178.16 178.01 1jyn s ASP 96 N -6.88 0.24 0.07 3.88 1.47 -1.26 -5.04 116.67 109.16 1jyn s ASP 96 Ca -0.03 -1.16 -0.15 0.00 1.18 0.00 0.00 52.55 52.39 1jyn s ASP 96 Cb 0.13 0.74 -0.06 0.00 -0.34 0.00 0.00 42.92 43.38 1jyn s ASP 96 CO 0.78 -1.44 0.48 0.00 0.68 0.00 0.00 175.17 175.67 1jyn s ALA 97 N -3.01 3.64 0.60 2.11 0.00 -1.26 -4.40 121.76 119.44 1jyn s ALA 97 Ca 0.21 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 1jyn s ALA 97 Cb -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1jyn s ALA 97 CO 0.13 0.47 1.04 -1.25 0.00 0.00 0.00 175.76 176.15 1jyn s PRO 98 N -1.46 3.37 -0.08 0.00 0.04 -1.26 -4.99 135.00 130.62 1jyn s PRO 98 Ca 0.30 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.47 1jyn s PRO 98 Cb -0.16 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1jyn s PRO 98 CO 0.17 -0.76 -0.18 0.42 0.04 0.00 0.00 177.00 176.70 1jyn s ILE 99 N -2.62 1.56 -0.41 0.56 1.01 -1.12 -4.66 121.20 115.53 1jyn s ILE 99 Ca 0.61 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1jyn s ILE 99 Cb -0.14 -1.38 0.09 0.00 0.01 0.00 0.00 42.46 41.04 1jyn s ILE 99 CO 0.40 0.45 0.24 -0.47 0.00 0.00 0.00 174.94 175.55 1jyn s TYR 100 N 0.52 3.39 -0.02 3.97 5.04 -1.26 0.12 117.35 129.11 1jyn s TYR 100 Ca -0.17 -1.78 0.04 0.00 -2.44 0.00 0.00 57.07 52.72 1jyn s TYR 100 Cb -0.17 -3.00 -0.01 0.00 0.35 0.00 0.00 41.96 39.14 1jyn s TYR 100 CO 0.06 -0.89 -0.13 -0.08 -1.34 0.00 0.00 175.55 173.17 1jyn s THR 101 N 1.35 1.07 0.00 4.34 -1.32 -1.26 -1.82 115.64 117.98 1jyn s THR 101 Ca 0.04 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1jyn s THR 101 Cb -0.23 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1jyn s THR 101 CO 0.00 0.31 0.00 -3.20 -2.21 0.00 0.00 174.62 169.52 1jyn n ASN 102 N 2.97 0.00 -0.08 8.08 2.85 -1.26 -4.08 115.26 123.73 1jyn n ASN 102 Ca -0.16 0.06 -0.23 0.00 -0.11 0.00 0.00 54.58 54.15 1jyn n ASN 102 Cb 0.55 -0.07 -0.12 0.00 1.24 0.00 0.00 39.78 41.37 1jyn n ASN 102 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1jyn n VAL 103 N -0.83 1.61 -1.90 3.44 0.31 -1.26 -4.06 118.33 115.64 1jyn n VAL 103 Ca 0.00 -0.38 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 1jyn n VAL 103 Cb 0.00 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.09 1jyn n VAL 103 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1jyn s THR 104 N -2.48 2.41 0.53 2.52 2.01 -1.26 -3.13 115.64 116.24 1jyn s THR 104 Ca -0.30 0.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.82 1jyn s THR 104 Cb 0.08 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1jyn s THR 104 CO 0.63 0.05 1.29 -0.31 -0.69 0.00 0.00 174.62 175.59 1jyn s TYR 105 N 0.30 2.44 -1.68 4.92 2.02 -1.26 -4.87 117.35 119.23 1jyn s TYR 105 Ca 0.64 1.44 0.24 0.00 -0.37 0.00 0.00 57.07 59.02 1jyn s TYR 105 Cb -0.45 -3.65 1.32 0.00 -0.40 0.00 0.00 41.96 38.78 1jyn s TYR 105 CO 0.42 -2.46 1.81 -0.35 -1.57 0.00 0.00 175.55 173.40 1jyn n PRO 106 N -0.98 0.53 -4.23 -1.71 -0.04 -1.26 -4.71 135.00 122.60 1jyn n PRO 106 Ca 0.10 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1jyn n PRO 106 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1jyn n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1jyn s ILE 107 N -2.32 1.07 0.32 0.52 -4.36 -1.26 -5.06 121.20 110.11 1jyn s ILE 107 Ca 0.29 -1.97 -0.28 0.00 -0.26 0.00 0.00 60.65 58.42 1jyn s ILE 107 Cb 0.16 -1.74 -0.13 0.00 1.25 0.00 0.00 42.46 42.01 1jyn s ILE 107 CO 0.33 -0.73 1.28 0.41 0.24 0.00 0.00 174.94 176.47 1jyn n THR 108 N -0.04 1.87 -2.60 8.37 -1.04 -1.26 -4.87 114.28 114.70 1jyn n THR 108 Ca -0.11 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.05 61.01 1jyn n THR 108 Cb 0.60 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1jyn n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1jyn s VAL 109 N -0.96 3.83 -0.43 12.58 1.01 -1.26 -4.75 120.40 130.41 1jyn s VAL 109 Ca 0.57 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1jyn s VAL 109 Cb -0.59 -4.89 0.32 0.00 0.00 0.00 0.00 36.38 31.22 1jyn s VAL 109 CO 0.60 -1.80 0.96 -3.20 0.00 0.00 0.00 175.10 171.66 1jyn n ASN 110 N 9.09 -1.38 -4.60 3.32 5.15 -1.26 -5.12 115.26 120.46 1jyn n ASN 110 Ca 0.04 -3.43 -0.43 0.00 -0.60 0.00 0.00 54.58 50.15 1jyn n ASN 110 Cb 0.49 1.09 -0.00 0.00 -0.53 0.00 0.00 39.78 40.82 1jyn n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1jyn n PRO 111 N 0.49 1.41 -0.83 1.20 -0.04 -1.26 0.18 135.00 136.15 1jyn n PRO 111 Ca 0.12 0.50 0.07 0.00 -0.04 0.00 0.00 63.50 64.15 1jyn n PRO 111 Cb 0.68 -1.95 0.39 0.00 -0.04 0.00 0.00 33.50 32.57 1jyn n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1jyn n PRO 112 N 0.50 4.61 -2.15 0.54 -0.04 -1.26 -5.09 135.00 132.11 1jyn n PRO 112 Ca 0.09 -3.02 -0.32 0.00 -0.04 0.00 0.00 63.50 60.21 1jyn n PRO 112 Cb 0.35 -2.19 -0.01 0.00 -0.04 0.00 0.00 33.50 31.61 1jyn n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jyn s PHE 113 N -2.56 3.46 0.31 0.54 0.08 0.13 -4.32 117.98 115.61 1jyn s PHE 113 Ca 0.53 1.41 0.04 0.00 0.12 0.00 0.00 56.93 59.03 1jyn s PHE 113 Cb 0.39 -2.79 -0.06 0.00 -0.57 0.00 0.00 43.02 39.99 1jyn s PHE 113 CO 0.17 -0.58 0.02 0.14 -0.10 0.00 0.00 175.22 174.88 1jyn s VAL 114 N -2.82 1.30 0.69 -0.44 -7.23 -1.26 -4.54 120.40 106.10 1jyn s VAL 114 Ca 0.58 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 1jyn s VAL 114 Cb -0.11 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.17 1jyn s VAL 114 CO 0.40 -0.10 1.18 -2.84 -0.31 0.00 0.00 175.10 173.43 1jyn s PRO 115 N -3.85 2.43 0.25 4.82 0.02 -1.26 -4.92 135.00 132.49 1jyn s PRO 115 Ca 0.34 1.67 0.02 0.00 0.02 0.00 0.00 61.00 63.05 1jyn s PRO 115 Cb 0.07 -1.88 0.30 0.00 0.02 0.00 0.00 34.50 33.02 1jyn s PRO 115 CO 0.14 -1.59 1.62 1.79 -0.33 0.00 0.00 177.00 178.63 1jyn h THR 116 N -0.04 1.32 -2.47 0.99 1.35 -1.99 -3.34 112.91 108.72 1jyn h THR 116 Ca -0.48 -1.63 -0.62 0.00 -0.55 0.00 0.00 66.41 63.13 1jyn h THR 116 Cb 1.28 1.68 -0.14 0.00 -1.73 0.00 0.00 68.15 69.25 1jyn h THR 116 CO 0.52 0.50 0.72 -1.61 -0.25 0.00 0.00 175.52 175.40 1jyn s GLU 117 N -4.12 3.23 -0.30 4.72 2.02 -1.26 -4.77 118.70 118.22 1jyn s GLU 117 Ca -0.06 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.02 1jyn s GLU 117 Cb 0.13 -4.41 0.09 0.00 0.10 0.00 0.00 34.13 30.04 1jyn s GLU 117 CO 0.80 -1.88 0.05 1.21 0.02 0.00 0.00 175.26 175.46 1jyn s ASN 118 N 3.77 4.26 -0.16 -0.19 2.47 -0.02 -4.98 114.94 120.10 1jyn s ASN 118 Ca 0.27 -1.73 -0.39 0.00 0.42 0.00 0.00 52.86 51.43 1jyn s ASN 118 Cb -0.13 -1.21 -0.16 0.00 -1.45 0.00 0.00 41.25 38.29 1jyn s ASN 118 CO 0.06 -0.36 1.57 -2.65 -3.72 0.00 0.00 177.10 172.00 1jyn n PRO 119 N 4.59 1.03 -4.41 0.43 -0.02 -1.21 -3.53 135.00 131.87 1jyn n PRO 119 Ca -0.02 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 1jyn n PRO 119 Cb 0.42 -2.03 -0.16 0.00 -0.02 0.00 0.00 33.50 31.72 1jyn n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jyn s THR 120 N 2.34 2.01 -0.23 3.45 2.01 -0.15 -1.16 115.64 123.90 1jyn s THR 120 Ca 0.94 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1jyn s THR 120 Cb -1.07 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1jyn s THR 120 CO 0.60 0.54 0.05 -0.83 -0.69 0.00 0.00 174.62 174.29 1jyn s GLY 121 N 1.04 1.75 -0.45 4.40 0.00 -0.05 -1.08 107.32 112.93 1jyn s GLY 121 Ca -0.02 -1.08 -0.15 0.00 0.00 0.00 0.00 44.72 43.46 1jyn s GLY 121 CO -0.07 0.45 0.37 0.00 0.00 0.00 0.00 173.10 173.85 1jyn s TYR 123 N 1.69 2.97 0.12 0.00 1.51 0.38 -1.37 117.35 122.65 1jyn s TYR 123 Ca 0.05 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 1jyn s TYR 123 Cb -0.22 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1jyn s TYR 123 CO 0.08 0.45 0.29 -1.54 -1.11 0.00 0.00 175.55 173.72 1jyn s SER 124 N -1.99 -0.02 -0.16 2.29 1.04 0.27 -0.34 113.70 114.80 1jyn s SER 124 Ca 0.23 -0.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1jyn s SER 124 Cb -0.11 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.46 1jyn s SER 124 CO 0.14 -0.82 0.41 -0.22 0.98 0.00 0.00 173.24 173.74 1jyn s LEU 125 N -2.86 0.24 -0.17 2.42 2.96 -1.04 -1.37 118.68 118.85 1jyn s LEU 125 Ca 0.07 0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 54.78 1jyn s LEU 125 Cb 0.03 1.38 -0.03 0.00 0.50 0.00 0.00 46.19 48.08 1jyn s LEU 125 CO -0.09 -0.16 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.89 1jyn s THR 126 N 0.65 4.15 0.11 3.68 2.01 -1.26 -1.20 115.64 123.77 1jyn s THR 126 Ca -0.03 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 1jyn s THR 126 Cb -0.05 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1jyn s THR 126 CO -0.04 0.47 0.28 0.72 -0.69 0.00 0.00 174.62 175.35 1jyn s PHE 127 N 0.50 0.02 0.12 4.92 -0.71 0.53 -4.93 117.98 118.42 1jyn s PHE 127 Ca -0.01 -0.40 -0.09 0.00 -1.04 0.00 0.00 56.93 55.38 1jyn s PHE 127 Cb -0.14 0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.68 1jyn s PHE 127 CO 0.02 -0.61 0.43 1.21 -1.34 0.00 0.00 175.22 174.93 1jyn s ASN 128 N -2.84 6.63 -0.06 1.98 2.47 -1.26 -0.71 114.94 121.15 1jyn s ASN 128 Ca 0.04 0.81 0.02 0.00 0.42 0.00 0.00 52.86 54.15 1jyn s ASN 128 Cb 0.04 -2.18 0.02 0.00 -1.45 0.00 0.00 41.25 37.67 1jyn s ASN 128 CO -0.11 0.11 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.60 1jyn s VAL 129 N -1.51 0.90 0.37 -5.21 1.01 0.33 -4.95 120.40 111.35 1jyn s VAL 129 Ca 0.37 -0.33 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 1jyn s VAL 129 Cb -0.13 -0.87 -0.10 0.00 0.00 0.00 0.00 36.38 35.29 1jyn s VAL 129 CO 0.20 0.31 1.00 -0.62 0.00 0.00 0.00 175.10 175.99 1jyn s ASP 130 N 0.88 7.00 0.53 3.32 2.15 -1.26 -0.32 116.67 128.98 1jyn s ASP 130 Ca -0.11 1.94 0.25 0.00 0.43 0.00 0.00 52.55 55.05 1jyn s ASP 130 Cb -0.15 -2.58 1.40 0.00 -0.30 0.00 0.00 42.92 41.29 1jyn s ASP 130 CO 0.01 -0.31 2.01 -0.08 -0.17 0.00 0.00 175.17 176.63 1jyn h GLU 131 N 2.72 0.00 0.00 4.34 4.57 -1.94 -1.27 114.58 122.99 1jyn h GLU 131 Ca -0.48 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 1jyn h GLU 131 Cb 1.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1jyn h GLU 131 CO 0.63 0.00 -0.08 0.66 -1.18 0.00 0.00 179.01 179.04 1jyn h SER 132 N 0.00 0.00 1.77 1.04 4.64 -1.99 0.10 113.55 119.11 1jyn h SER 132 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1jyn h SER 132 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1jyn h SER 132 CO -0.00 0.08 -0.06 -0.50 -0.87 0.00 0.00 176.83 175.48 1jyn h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.54 -3.31 115.95 119.93 1jyn h TRP 133 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jyn h TRP 133 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1jyn h TRP 133 CO 0.00 0.06 -1.39 1.28 -3.56 0.00 0.00 178.44 174.83 1jyn n LEU 134 N -3.12 0.41 0.18 -4.49 4.77 -0.17 -4.35 117.00 110.23 1jyn n LEU 134 Ca 0.03 -0.24 0.05 0.00 -0.03 0.00 0.00 56.01 55.82 1jyn n LEU 134 Cb 0.51 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.90 1jyn n LEU 134 CO 0.34 0.10 0.65 -0.61 -1.33 0.00 0.00 177.39 176.54 1jyn h GLN 135 N 0.00 0.00 -3.18 3.23 5.75 -0.97 -3.46 115.11 116.49 1jyn h GLN 135 Ca 0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1jyn h GLN 135 Cb 0.66 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.03 1jyn h GLN 135 CO 0.00 0.40 -0.22 -1.21 -2.65 0.00 0.00 178.83 175.15 1jyn s GLU 136 N -3.54 0.81 0.17 1.69 0.41 -1.26 -5.13 118.70 111.84 1jyn s GLU 136 Ca 0.00 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 1jyn s GLU 136 Cb 0.11 0.35 0.00 0.00 -1.78 0.00 0.00 34.13 32.81 1jyn s GLU 136 CO 0.70 -0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.62 1jyn n GLY 137 N 0.71 -2.76 3.15 -1.39 0.00 -1.26 -4.81 105.19 98.83 1jyn n GLY 137 Ca -0.19 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 1jyn n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jyn s GLN 138 N -0.74 1.81 -0.26 1.61 0.74 0.50 -4.82 119.66 118.50 1jyn s GLN 138 Ca 0.00 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1jyn s GLN 138 Cb 0.00 -1.59 0.02 0.00 1.10 0.00 0.00 33.01 32.54 1jyn s GLN 138 CO 0.00 0.27 -0.03 0.99 -0.55 0.00 0.00 175.29 175.97 1jyn s THR 139 N -0.04 3.11 0.20 -0.34 2.01 -1.26 -0.27 115.64 119.05 1jyn s THR 139 Ca -0.02 -0.96 0.10 0.00 0.31 0.00 0.00 61.69 61.11 1jyn s THR 139 Cb -0.11 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1jyn s THR 139 CO 0.02 0.17 -0.12 0.00 -0.69 0.00 0.00 174.62 174.00 1jyn s ARG 140 N 1.36 1.96 -0.05 4.92 1.70 -0.27 0.75 118.95 129.33 1jyn s ARG 140 Ca 0.01 -1.37 -0.01 0.00 -0.47 0.00 0.00 55.73 53.88 1jyn s ARG 140 Cb -0.17 -2.07 -0.04 0.00 -0.57 0.00 0.00 34.95 32.10 1jyn s ARG 140 CO -0.03 0.41 0.03 -1.50 -1.08 0.00 0.00 175.30 173.13 1jyn s ILE 141 N -1.84 4.45 -0.14 4.99 2.07 0.09 -0.98 121.20 129.84 1jyn s ILE 141 Ca 0.25 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1jyn s ILE 141 Cb -0.08 -2.94 0.02 0.00 0.13 0.00 0.00 42.46 39.59 1jyn s ILE 141 CO 0.15 0.49 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.91 1jyn s ILE 142 N -1.02 1.45 -0.43 2.00 1.01 -0.15 -1.43 121.20 122.63 1jyn s ILE 142 Ca 0.17 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 1jyn s ILE 142 Cb -0.12 -1.38 0.07 0.00 0.01 0.00 0.00 42.46 41.04 1jyn s ILE 142 CO 0.07 0.44 0.29 -0.36 0.00 0.00 0.00 174.94 175.38 1jyn s PHE 143 N 1.50 3.29 0.19 3.97 0.40 -0.44 -1.48 117.98 125.41 1jyn s PHE 143 Ca 0.04 -1.24 0.29 0.00 -0.60 0.00 0.00 56.93 55.43 1jyn s PHE 143 Cb -0.13 -2.92 1.23 0.00 0.51 0.00 0.00 43.02 41.71 1jyn s PHE 143 CO -0.10 -0.79 1.95 -0.44 0.70 0.00 0.00 175.22 176.54 1jyn h ASP 144 N 8.52 0.00 -1.50 1.36 3.32 -1.27 -0.53 116.42 126.32 1jyn h ASP 144 Ca -0.25 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.90 1jyn h ASP 144 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 1jyn h ASP 144 CO 0.78 0.11 -0.15 -0.83 -1.72 0.00 0.00 179.24 177.43 1jyn s GLY 145 N -4.23 -0.78 -0.07 2.75 0.00 -1.26 -3.42 107.32 100.32 1jyn s GLY 145 Ca 0.00 2.23 -0.00 0.00 0.00 0.00 0.00 44.72 46.95 1jyn s GLY 145 CO 0.58 3.22 -0.03 0.14 0.00 0.00 0.00 173.10 177.02 1jyn s VAL 146 N 2.85 0.54 -0.24 1.40 1.01 -1.25 -1.90 120.40 122.83 1jyn s VAL 146 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1jyn s VAL 146 Cb -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1jyn s VAL 146 CO -0.19 0.27 -0.04 0.21 0.00 0.00 0.00 175.10 175.35 1jyn s ASN 147 N 1.56 4.36 -0.00 3.32 3.84 -0.06 -4.16 114.94 123.80 1jyn s ASN 147 Ca -0.01 -0.56 0.07 0.00 0.21 0.00 0.00 52.86 52.57 1jyn s ASN 147 Cb -0.13 -1.73 -0.08 0.00 -0.55 0.00 0.00 41.25 38.76 1jyn s ASN 147 CO -0.04 -0.07 0.23 -1.54 -2.79 0.00 0.00 177.10 172.89 1jyn n SER 148 N 4.77 1.45 -3.56 -4.21 3.41 -0.46 -0.99 113.62 114.04 1jyn n SER 148 Ca -0.17 -0.42 -0.11 0.00 -0.26 0.00 0.00 58.87 57.91 1jyn n SER 148 Cb 0.49 1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 65.52 1jyn n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyn s ALA 149 N -1.93 -1.24 0.12 7.33 0.00 -1.17 -3.88 121.76 120.99 1jyn s ALA 149 Ca 0.01 0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.89 1jyn s ALA 149 Cb 0.05 0.81 0.08 0.00 0.00 0.00 0.00 23.12 24.05 1jyn s ALA 149 CO 0.27 -0.73 0.68 -0.59 0.00 0.00 0.00 175.76 175.39 1jyn s PHE 150 N -3.79 -0.48 0.09 0.00 -0.71 -0.61 -0.78 117.98 111.69 1jyn s PHE 150 Ca 0.03 0.28 0.06 0.00 -1.04 0.00 0.00 56.93 56.26 1jyn s PHE 150 Cb -0.00 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1jyn s PHE 150 CO -0.11 -0.79 -0.04 -1.01 -1.34 0.00 0.00 175.22 171.93 1jyn s HIS 151 N -3.60 2.89 -0.03 3.49 3.76 -0.57 -1.43 115.29 119.79 1jyn s HIS 151 Ca 0.02 -0.08 0.05 0.00 -0.15 0.00 0.00 55.06 54.91 1jyn s HIS 151 Cb -0.01 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 1jyn s HIS 151 CO -0.11 0.45 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.87 1jyn s LEU 152 N -2.21 1.99 0.12 0.89 2.96 -0.32 -1.22 118.68 120.90 1jyn s LEU 152 Ca 0.23 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 1jyn s LEU 152 Cb -0.11 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1jyn s LEU 152 CO 0.16 0.20 -0.18 0.26 -1.32 0.00 0.00 176.35 175.48 1jyn s TRP 153 N -0.25 1.63 -0.04 5.38 0.51 0.09 -0.75 118.94 125.51 1jyn s TRP 153 Ca 0.02 -0.47 -0.01 0.00 -2.12 0.00 0.00 56.10 53.52 1jyn s TRP 153 Cb -0.09 -0.86 0.03 0.00 -0.81 0.00 0.00 33.47 31.74 1jyn s TRP 153 CO 0.01 0.21 0.04 0.00 -0.51 0.00 0.00 176.95 176.69 1jyn n ASN 155 N 4.85 -3.10 0.00 0.00 3.02 0.66 -0.97 115.26 119.72 1jyn n ASN 155 Ca -0.13 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1jyn n ASN 155 Cb 0.50 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 1jyn n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jyn n GLY 156 N -1.63 2.33 3.79 7.41 0.00 -1.23 -5.02 105.19 110.84 1jyn n GLY 156 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1jyn n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jyn s ARG 157 N -0.23 3.34 0.18 1.61 0.52 -0.15 -4.92 118.95 119.30 1jyn s ARG 157 Ca 0.00 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 1jyn s ARG 157 Cb 0.00 -3.06 -0.08 0.00 0.52 0.00 0.00 34.95 32.33 1jyn s ARG 157 CO 0.00 0.70 1.24 -0.46 0.02 0.00 0.00 175.30 176.80 1jyn s TRP 158 N -0.84 3.37 -0.12 -0.53 -0.00 -1.26 -0.88 118.94 118.67 1jyn s TRP 158 Ca 0.13 1.34 -0.05 0.00 -0.00 0.00 0.00 56.10 57.52 1jyn s TRP 158 Cb -0.12 -3.49 -0.06 0.00 -0.00 0.00 0.00 33.47 29.80 1jyn s TRP 158 CO 0.03 -1.45 -0.15 0.28 -0.00 0.00 0.00 176.95 175.66 1jyn n VAL 159 N 2.70 0.67 -3.04 5.86 0.31 0.07 -4.90 118.33 120.00 1jyn n VAL 159 Ca 0.05 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1jyn n VAL 159 Cb 0.44 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1jyn n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jyn n GLY 160 N 2.37 -0.99 3.23 2.92 0.00 -1.10 -4.74 105.19 106.88 1jyn n GLY 160 Ca -0.24 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1jyn n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jyn s TYR 161 N -3.00 -0.06 0.04 1.61 5.04 -0.59 -1.17 117.35 119.22 1jyn s TYR 161 Ca 0.00 -0.09 -0.21 0.00 -2.44 0.00 0.00 57.07 54.33 1jyn s TYR 161 Cb 0.00 0.06 0.05 0.00 0.35 0.00 0.00 41.96 42.42 1jyn s TYR 161 CO 0.00 -0.48 0.47 0.20 -1.34 0.00 0.00 175.55 174.40 1jyn s GLY 162 N -2.05 -0.36 0.42 8.97 0.00 -0.52 -1.73 107.32 112.05 1jyn s GLY 162 Ca -0.05 0.50 0.04 0.00 0.00 0.00 0.00 44.72 45.20 1jyn s GLY 162 CO -0.03 0.22 0.14 -1.06 0.00 0.00 0.00 173.10 172.37 1jyn n GLN 163 N 0.50 0.58 -1.53 2.90 6.02 -0.41 -1.57 117.38 123.86 1jyn n GLN 163 Ca -0.19 -3.51 -0.00 0.00 -0.01 0.00 0.00 57.00 53.29 1jyn n GLN 163 Cb 0.60 1.87 -0.00 0.00 1.02 0.00 0.00 30.24 33.73 1jyn n GLN 163 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1jyn n ASP 164 N -1.51 -2.00 0.00 1.08 2.03 -1.25 -4.94 116.55 109.96 1jyn n ASP 164 Ca -0.06 0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.34 1jyn n ASP 164 Cb 0.62 -1.12 0.27 0.00 -0.72 0.00 0.00 41.12 40.17 1jyn n ASP 164 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1jyn n SER 165 N 0.04 0.00 -0.05 1.67 7.64 -1.26 -3.56 113.62 118.11 1jyn n SER 165 Ca -0.01 0.26 0.05 0.00 1.01 0.00 0.00 58.87 60.18 1jyn n SER 165 Cb 0.01 -0.36 0.07 0.00 -1.01 0.00 0.00 64.21 62.92 1jyn n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jyn n ARG 166 N -1.36 2.02 -4.13 1.43 5.12 -1.26 -3.74 116.66 114.74 1jyn n ARG 166 Ca 0.04 -2.01 -0.14 0.00 -1.93 0.00 0.00 57.85 53.81 1jyn n ARG 166 Cb 0.10 -1.23 -0.11 0.00 -1.16 0.00 0.00 32.46 30.06 1jyn n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1jyn s LEU 167 N -1.90 2.32 0.29 0.55 1.43 -1.23 -4.46 118.68 115.68 1jyn s LEU 167 Ca 0.16 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 1jyn s LEU 167 Cb 0.14 -0.27 -0.10 0.00 0.03 0.00 0.00 46.19 46.00 1jyn s LEU 167 CO 0.02 -0.22 1.27 -2.16 0.23 0.00 0.00 176.35 175.48 1jyn s PRO 168 N -2.15 4.42 -0.19 1.29 0.04 -1.22 -4.51 135.00 132.68 1jyn s PRO 168 Ca -0.02 2.10 -0.03 0.00 0.04 0.00 0.00 61.00 63.09 1jyn s PRO 168 Cb -0.07 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1jyn s PRO 168 CO 0.00 -0.12 -0.06 -1.12 0.04 0.00 0.00 177.00 175.74 1jyn s SER 169 N -0.38 4.30 -0.04 6.66 0.01 -0.21 -4.96 113.70 119.07 1jyn s SER 169 Ca 0.50 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.47 1jyn s SER 169 Cb -0.37 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 1jyn s SER 169 CO 0.47 0.05 -0.21 -1.61 0.41 0.00 0.00 173.24 172.35 1jyn s GLU 170 N 1.06 2.41 0.02 12.44 2.02 -1.26 -1.33 118.70 134.06 1jyn s GLU 170 Ca 0.01 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.20 1jyn s GLU 170 Cb -0.15 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 1jyn s GLU 170 CO -0.00 0.52 -0.13 -0.06 0.02 0.00 0.00 175.26 175.61 1jyn s PHE 171 N -0.48 1.10 -0.20 1.61 0.08 -0.52 -0.29 117.98 119.28 1jyn s PHE 171 Ca 0.06 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.52 1jyn s PHE 171 Cb -0.11 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1jyn s PHE 171 CO 0.01 0.01 1.11 0.34 -0.10 0.00 0.00 175.22 176.58 1jyn s ASP 172 N -0.80 7.06 -0.01 1.36 -1.08 -1.26 -0.73 116.67 121.21 1jyn s ASP 172 Ca 0.02 1.49 0.18 0.00 -0.52 0.00 0.00 52.55 53.72 1jyn s ASP 172 Cb -0.07 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.39 1jyn s ASP 172 CO 0.00 -0.68 1.45 0.18 0.52 0.00 0.00 175.17 176.65 1jyn n LEU 173 N 6.28 3.66 -0.26 -1.34 4.77 0.23 -4.66 117.00 125.68 1jyn n LEU 173 Ca 0.12 -2.03 0.06 0.00 -0.03 0.00 0.00 56.01 54.13 1jyn n LEU 173 Cb 0.46 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.31 1jyn n LEU 173 CO 0.53 0.89 0.84 0.28 -1.33 0.00 0.00 177.39 178.60 1jyn h SER 174 N 3.50 -0.31 -0.11 -1.43 0.02 -1.81 0.85 113.55 114.26 1jyn h SER 174 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1jyn h SER 174 Cb 0.93 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1jyn h SER 174 CO 0.01 -0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.53 1jyn n ALA 175 N -2.91 2.55 0.28 3.77 0.00 -1.26 -3.90 120.51 119.03 1jyn n ALA 175 Ca 0.14 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.19 1jyn n ALA 175 Cb 0.49 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1jyn n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1jyn n PHE 176 N 0.09 0.00 -3.35 0.00 3.01 0.26 -5.04 117.46 112.42 1jyn n PHE 176 Ca 0.16 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.44 1jyn n PHE 176 Cb 0.28 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.67 1jyn n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jyn s LEU 177 N -2.86 3.62 0.05 4.37 1.43 -1.01 -4.69 118.68 119.59 1jyn s LEU 177 Ca 0.01 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1jyn s LEU 177 Cb 0.07 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1jyn s LEU 177 CO 0.38 -0.63 0.04 0.00 0.23 0.00 0.00 176.35 176.38 1jyn s ARG 178 N -4.21 0.61 0.43 1.70 3.03 -1.26 -5.04 118.95 114.21 1jyn s ARG 178 Ca 0.50 -0.98 -0.26 0.00 2.03 0.00 0.00 55.73 57.01 1jyn s ARG 178 Cb -0.07 0.23 -0.09 0.00 -1.03 0.00 0.00 34.95 33.99 1jyn s ARG 178 CO 0.30 -0.14 1.42 0.00 -1.13 0.00 0.00 175.30 175.76 1jyn s ALA 179 N -3.30 3.30 0.00 7.88 0.00 -1.26 -4.59 121.76 123.80 1jyn s ALA 179 Ca 0.01 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1jyn s ALA 179 Cb 0.03 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1jyn s ALA 179 CO -0.08 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1jyn n GLY 180 N 0.57 0.15 3.76 0.00 0.00 0.57 -4.90 105.19 105.33 1jyn n GLY 180 Ca 0.04 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1jyn n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jyn s GLU 181 N 0.00 4.58 0.05 1.61 0.41 -1.26 -0.51 118.70 123.57 1jyn s GLU 181 Ca 0.00 1.89 -0.02 0.00 -0.41 0.00 0.00 54.97 56.42 1jyn s GLU 181 Cb 0.00 -3.17 -0.03 0.00 -1.78 0.00 0.00 34.13 29.15 1jyn s GLU 181 CO 0.00 0.11 0.01 -0.80 -0.49 0.00 0.00 175.26 174.10 1jyn s ASN 182 N -0.71 0.36 -0.05 -0.19 0.01 0.11 -4.85 114.94 109.61 1jyn s ASN 182 Ca 0.46 -0.80 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 1jyn s ASN 182 Cb -0.33 0.20 0.01 0.00 0.41 0.00 0.00 41.25 41.54 1jyn s ASN 182 CO 0.43 -0.55 -0.09 -0.60 -1.51 0.00 0.00 177.10 174.78 1jyn s ARG 183 N -3.30 1.26 0.12 -0.60 3.52 -1.26 -0.34 118.95 118.35 1jyn s ARG 183 Ca 0.01 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 1jyn s ARG 183 Cb 0.03 -1.11 -0.05 0.00 -1.56 0.00 0.00 34.95 32.26 1jyn s ARG 183 CO -0.08 0.01 0.30 -0.51 -0.81 0.00 0.00 175.30 174.22 1jyn s LEU 184 N 0.65 4.30 -0.04 -0.88 1.43 -0.35 -0.24 118.68 123.55 1jyn s LEU 184 Ca -0.11 0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1jyn s LEU 184 Cb -0.14 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 42.99 1jyn s LEU 184 CO 0.02 0.09 0.01 0.00 0.23 0.00 0.00 176.35 176.70 1jyn s ALA 185 N -1.64 0.39 -0.13 4.21 0.00 -0.22 -2.51 121.76 121.86 1jyn s ALA 185 Ca 0.38 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1jyn s ALA 185 Cb -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1jyn s ALA 185 CO 0.27 -0.23 -0.12 0.08 0.00 0.00 0.00 175.76 175.76 1jyn s VAL 186 N 1.42 1.36 -0.34 0.00 1.01 0.54 -0.73 120.40 123.66 1jyn s VAL 186 Ca -0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1jyn s VAL 186 Cb -0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1jyn s VAL 186 CO -0.03 0.42 0.23 -0.32 0.00 0.00 0.00 175.10 175.41 1jyn s MET 187 N 1.48 3.39 -0.21 2.72 1.75 -0.35 -0.47 119.30 127.61 1jyn s MET 187 Ca 0.03 -0.71 -0.05 0.00 -1.25 0.00 0.00 55.69 53.71 1jyn s MET 187 Cb -0.13 -3.78 -0.02 0.00 2.84 0.00 0.00 34.83 33.74 1jyn s MET 187 CO -0.08 -0.48 0.00 0.08 -0.65 0.00 0.00 175.02 173.89 1jyn s VAL 188 N 1.69 3.90 -0.06 10.11 1.01 0.27 -1.51 120.40 135.81 1jyn s VAL 188 Ca 0.06 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1jyn s VAL 188 Cb -0.18 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1jyn s VAL 188 CO 0.10 0.41 0.42 -0.76 0.00 0.00 0.00 175.10 175.26 1jyn s LEU 189 N 1.24 4.37 0.07 3.92 1.43 0.03 -0.88 118.68 128.87 1jyn s LEU 189 Ca 0.03 0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 53.80 1jyn s LEU 189 Cb -0.15 -2.60 -0.11 0.00 0.03 0.00 0.00 46.19 43.37 1jyn s LEU 189 CO 0.01 0.18 1.43 -0.09 0.23 0.00 0.00 176.35 178.10 1jyn h ARG 190 N 5.70 0.47 -6.53 1.70 2.43 -1.40 -1.20 114.38 115.54 1jyn h ARG 190 Ca -0.46 -0.21 -0.69 0.00 -0.81 0.00 0.00 59.98 57.81 1jyn h ARG 190 Cb 1.20 -0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.51 1jyn h ARG 190 CO 0.69 0.75 -0.80 -1.58 -1.51 0.00 0.00 179.97 177.52 1jyn s TRP 191 N -4.56 2.58 0.36 2.20 0.52 -1.26 -3.83 118.94 114.94 1jyn s TRP 191 Ca -0.14 -0.24 -0.14 0.00 0.02 0.00 0.00 56.10 55.60 1jyn s TRP 191 Cb 0.07 -1.49 0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1jyn s TRP 191 CO 0.77 0.23 0.72 -1.54 0.02 0.00 0.00 176.95 177.15 1jyn s SER 192 N -1.31 0.11 0.57 2.95 1.04 -1.26 -4.91 113.70 110.89 1jyn s SER 192 Ca 0.14 -1.12 0.37 0.00 0.48 0.00 0.00 55.95 55.82 1jyn s SER 192 Cb -0.10 0.80 1.84 0.00 0.10 0.00 0.00 66.02 68.65 1jyn s SER 192 CO 0.04 -1.57 2.13 -2.24 0.98 0.00 0.00 173.24 172.58 1jyn h ASP 193 N 2.03 0.00 0.45 7.02 3.04 -0.99 0.25 116.42 128.21 1jyn h ASP 193 Ca -0.30 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.47 1jyn h ASP 193 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1jyn h ASP 193 CO 0.38 0.00 -0.12 1.23 -2.04 0.00 0.00 179.24 178.69 1jyn h GLY 194 N 0.94 0.00 2.00 7.15 0.00 -1.90 -2.10 103.07 109.16 1jyn h GLY 194 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jyn h GLY 194 CO 0.00 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.28 1jyn h SER 195 N 0.00 0.00 0.29 0.19 0.02 -0.85 0.24 113.55 113.43 1jyn h SER 195 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1jyn h SER 195 Cb 0.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1jyn h SER 195 CO 0.02 0.02 -0.12 1.88 -1.14 0.00 0.00 176.83 177.49 1jyn h TYR 196 N 0.00 0.00 -0.53 3.45 0.05 -1.49 -1.50 116.97 116.94 1jyn h TYR 196 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jyn h TYR 196 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1jyn h TYR 196 CO 0.00 0.12 0.00 1.28 -1.05 0.00 0.00 178.16 178.51 1jyn n LEU 197 N -3.80 3.69 -2.64 3.88 4.77 0.05 -4.46 117.00 118.50 1jyn n LEU 197 Ca -0.02 -1.70 -0.23 0.00 -0.03 0.00 0.00 56.01 54.03 1jyn n LEU 197 Cb 0.22 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1jyn n LEU 197 CO 0.31 0.85 0.11 -0.62 -1.33 0.00 0.00 177.39 176.70 1jyn n GLU 198 N 1.58 2.86 -1.03 3.23 1.02 -0.56 -1.06 120.64 126.69 1jyn n GLU 198 Ca 0.22 -4.30 -0.21 0.00 -0.02 0.00 0.00 57.16 52.85 1jyn n GLU 198 Cb 0.62 -2.04 0.13 0.00 -0.02 0.00 0.00 31.44 30.13 1jyn n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jyn n ASP 199 N -0.32 4.29 -4.75 1.62 2.03 -0.44 -4.98 116.55 114.00 1jyn n ASP 199 Ca 0.32 -3.34 -0.36 0.00 0.52 0.00 0.00 54.79 51.92 1jyn n ASP 199 Cb 0.64 -0.82 0.04 0.00 -0.72 0.00 0.00 41.12 40.26 1jyn n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1jyn s GLN 200 N -2.75 2.90 -1.07 -0.67 1.11 -1.26 -4.58 119.66 113.34 1jyn s GLN 200 Ca 0.47 1.85 -0.22 0.00 0.01 0.00 0.00 55.36 57.47 1jyn s GLN 200 Cb 0.39 -1.92 -0.00 0.00 -1.01 0.00 0.00 33.01 30.47 1jyn s GLN 200 CO 0.07 -1.27 1.76 0.34 0.01 0.00 0.00 175.29 176.20 1jyn s ASP 201 N -1.58 5.85 0.21 5.90 2.15 -1.26 -4.82 116.67 123.12 1jyn s ASP 201 Ca 0.78 -1.45 -0.23 0.00 0.43 0.00 0.00 52.55 52.08 1jyn s ASP 201 Cb -0.31 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 39.78 1jyn s ASP 201 CO 0.34 -2.14 0.87 0.00 -0.17 0.00 0.00 175.17 174.07 1jyn s MET 202 N 5.76 1.45 0.36 4.34 0.23 -1.26 -5.01 119.30 125.18 1jyn s MET 202 Ca 0.59 -0.81 -0.28 0.00 -1.03 0.00 0.00 55.69 54.16 1jyn s MET 202 Cb -0.01 0.49 -0.11 0.00 -1.53 0.00 0.00 34.83 33.66 1jyn s MET 202 CO 0.01 -0.67 1.52 0.91 -2.03 0.00 0.00 175.02 174.76 1jyn n TRP 203 N -0.48 2.99 -3.33 3.16 7.02 -1.26 -4.27 117.44 121.26 1jyn n TRP 203 Ca -0.05 0.40 -0.42 0.00 -1.02 0.00 0.00 57.50 56.41 1jyn n TRP 203 Cb 0.60 -2.55 -0.09 0.00 -2.42 0.00 0.00 31.31 26.85 1jyn n TRP 203 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1jyn s ARG 204 N -1.78 3.43 0.00 -0.99 1.81 0.12 -4.93 118.95 116.60 1jyn s ARG 204 Ca 0.55 -0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.10 1jyn s ARG 204 Cb -0.48 -3.86 0.00 0.00 -0.45 0.00 0.00 34.95 30.17 1jyn s ARG 204 CO 0.61 -0.66 0.00 -1.33 -0.68 0.00 0.00 175.30 173.24 1jyn n MET 205 N 5.55 0.97 -3.72 3.54 2.81 -1.26 -2.77 117.12 122.23 1jyn n MET 205 Ca -0.07 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.76 1jyn n MET 205 Cb 0.49 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.98 1jyn n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jyn s SER 206 N -0.79 -0.26 0.00 7.83 1.04 -1.26 -4.81 113.70 115.45 1jyn s SER 206 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1jyn s SER 206 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1jyn s SER 206 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1jyn n GLY 207 N -0.43 0.92 3.37 7.32 0.00 -0.16 -2.18 105.19 114.03 1jyn n GLY 207 Ca -0.07 -2.11 -0.46 0.00 0.00 0.00 0.00 46.02 43.39 1jyn n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jyn s ILE 208 N -1.02 5.45 -2.51 -0.61 1.01 -1.19 -0.88 121.20 121.44 1jyn s ILE 208 Ca 0.00 -2.43 0.23 0.00 0.00 0.00 0.00 60.65 58.44 1jyn s ILE 208 Cb 0.00 -4.59 0.09 0.00 0.01 0.00 0.00 42.46 37.98 1jyn s ILE 208 CO 0.00 -1.20 1.17 2.22 0.00 0.00 0.00 174.94 177.13 1jyn n PHE 209 N 4.45 0.00 -4.48 3.97 -1.74 -0.80 -0.83 117.46 118.03 1jyn n PHE 209 Ca 0.19 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.85 1jyn n PHE 209 Cb 0.46 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.35 1jyn n PHE 209 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1jyn s ARG 210 N -2.19 1.70 0.74 3.97 0.52 -1.16 -4.35 118.95 118.18 1jyn s ARG 210 Ca 0.23 -1.95 -0.15 0.00 -0.52 0.00 0.00 55.73 53.34 1jyn s ARG 210 Cb 0.19 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.66 1jyn s ARG 210 CO 0.42 -0.16 0.85 -0.25 0.02 0.00 0.00 175.30 176.18 1jyn n ASP 211 N -0.73 -0.03 -4.14 0.23 8.00 -1.26 -4.39 116.55 114.22 1jyn n ASP 211 Ca -0.03 0.62 -0.27 0.00 0.71 0.00 0.00 54.79 55.82 1jyn n ASP 211 Cb 0.67 -1.36 -0.16 0.00 -0.02 0.00 0.00 41.12 40.25 1jyn n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jyn s VAL 212 N -1.91 1.52 0.24 2.53 1.01 -1.26 -0.92 120.40 121.60 1jyn s VAL 212 Ca 0.70 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1jyn s VAL 212 Cb -0.33 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1jyn s VAL 212 CO 0.53 0.44 0.31 -0.94 0.00 0.00 0.00 175.10 175.44 1jyn s SER 213 N 0.16 0.18 -0.05 3.32 1.04 -0.55 -0.05 113.70 117.75 1jyn s SER 213 Ca -0.07 -1.23 0.03 0.00 0.48 0.00 0.00 55.95 55.16 1jyn s SER 213 Cb -0.13 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1jyn s SER 213 CO 0.03 -1.01 -0.14 -0.22 0.98 0.00 0.00 173.24 172.88 1jyn s LEU 214 N -3.12 1.80 -0.07 2.42 2.96 0.81 -0.97 118.68 122.51 1jyn s LEU 214 Ca 0.32 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1jyn s LEU 214 Cb 0.03 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.88 1jyn s LEU 214 CO 0.12 0.10 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.84 1jyn s LEU 215 N 0.29 1.90 -0.22 -0.68 2.96 -0.15 -0.81 118.68 121.97 1jyn s LEU 215 Ca -0.08 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 1jyn s LEU 215 Cb -0.12 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1jyn s LEU 215 CO 0.02 0.13 0.10 -2.28 -1.32 0.00 0.00 176.35 173.00 1jyn s HIS 216 N 0.28 3.23 0.14 5.38 5.65 -0.47 -1.12 115.29 128.38 1jyn s HIS 216 Ca -0.11 0.02 0.08 0.00 0.25 0.00 0.00 55.06 55.30 1jyn s HIS 216 Cb -0.15 -2.18 -0.04 0.00 -1.18 0.00 0.00 32.58 29.03 1jyn s HIS 216 CO 0.05 0.01 -0.19 0.15 -0.65 0.00 0.00 174.74 174.10 1jyn s LYS 217 N 0.90 1.22 0.84 2.88 -0.14 0.62 -4.73 119.74 121.32 1jyn s LYS 217 Ca 0.05 -1.31 -0.11 0.00 -1.36 0.00 0.00 55.97 53.24 1jyn s LYS 217 Cb -0.13 -1.37 0.09 0.00 -1.68 0.00 0.00 37.83 34.74 1jyn s LYS 217 CO 0.03 0.30 1.09 -2.14 -0.76 0.00 0.00 175.35 173.87 1jyn s PRO 218 N -2.42 1.73 0.20 -1.68 0.02 -1.26 -0.37 135.00 131.22 1jyn s PRO 218 Ca 0.12 0.76 -0.09 0.00 0.02 0.00 0.00 61.00 61.81 1jyn s PRO 218 Cb -0.08 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.72 1jyn s PRO 218 CO 0.06 -1.90 1.78 1.15 -0.33 0.00 0.00 177.00 177.76 1jyn h THR 219 N -1.30 1.25 -3.58 0.99 2.02 -1.92 -3.35 112.91 107.02 1jyn h THR 219 Ca -0.48 -0.73 -0.61 0.00 0.77 0.00 0.00 66.41 65.35 1jyn h THR 219 Cb 1.27 0.34 -0.13 0.00 -1.74 0.00 0.00 68.15 67.89 1jyn h THR 219 CO 0.57 0.30 -0.06 -0.89 0.37 0.00 0.00 175.52 175.81 1jyn s THR 220 N -5.63 5.09 0.20 3.16 2.01 -1.26 -3.90 115.64 115.31 1jyn s THR 220 Ca -0.13 0.84 -0.15 0.00 0.31 0.00 0.00 61.69 62.56 1jyn s THR 220 Cb 0.15 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1jyn s THR 220 CO 0.82 0.12 0.47 0.00 -0.69 0.00 0.00 174.62 175.34 1jyn s GLN 221 N 2.13 1.37 -0.26 4.92 -2.07 -0.21 -4.90 119.66 120.64 1jyn s GLN 221 Ca 0.21 -0.99 -0.29 0.00 -1.82 0.00 0.00 55.36 52.47 1jyn s GLN 221 Cb -0.16 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 1jyn s GLN 221 CO 0.09 -0.57 1.14 0.42 -1.32 0.00 0.00 175.29 175.05 1jyn s ILE 222 N -3.91 4.46 -0.61 3.63 1.01 -1.26 -1.09 121.20 123.42 1jyn s ILE 222 Ca 0.13 1.73 0.20 0.00 0.00 0.00 0.00 60.65 62.70 1jyn s ILE 222 Cb -0.00 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 37.96 1jyn s ILE 222 CO -0.00 -0.32 0.69 -1.54 0.00 0.00 0.00 174.94 173.77 1jyn n SER 223 N 6.75 0.75 -3.53 3.58 3.41 0.78 -4.91 113.62 120.45 1jyn n SER 223 Ca 0.13 -0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 58.02 1jyn n SER 223 Cb 0.46 1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 65.69 1jyn n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jyn s ASP 224 N -3.33 -0.35 -0.27 4.04 -1.08 -1.19 -4.87 116.67 109.61 1jyn s ASP 224 Ca 0.02 0.11 -0.21 0.00 -0.52 0.00 0.00 52.55 51.95 1jyn s ASP 224 Cb 0.14 0.35 0.07 0.00 -1.46 0.00 0.00 42.92 42.02 1jyn s ASP 224 CO 0.81 -0.53 0.70 0.72 0.52 0.00 0.00 175.17 177.39 1jyn s PHE 225 N -2.57 -0.87 -0.05 -5.34 -0.71 -1.26 -0.97 117.98 106.20 1jyn s PHE 225 Ca 0.03 1.97 0.04 0.00 -1.04 0.00 0.00 56.93 57.94 1jyn s PHE 225 Cb -0.01 0.39 -0.00 0.00 -1.21 0.00 0.00 43.02 42.19 1jyn s PHE 225 CO -0.06 -0.43 -0.18 -1.01 -1.34 0.00 0.00 175.22 172.20 1jyn s HIS 226 N 0.82 1.83 -0.12 3.49 3.76 -0.13 -4.82 115.29 120.13 1jyn s HIS 226 Ca -0.04 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1jyn s HIS 226 Cb -0.05 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 1jyn s HIS 226 CO -0.06 -0.19 -0.14 0.08 -0.85 0.00 0.00 174.74 173.58 1jyn s VAL 227 N 0.05 2.94 0.14 -0.90 1.01 -1.26 -0.76 120.40 121.62 1jyn s VAL 227 Ca -0.05 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1jyn s VAL 227 Cb -0.12 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1jyn s VAL 227 CO 0.03 0.53 -0.19 0.00 0.00 0.00 0.00 175.10 175.47 1jyn s ALA 228 N 0.28 1.91 -0.06 5.51 0.00 0.90 -4.82 121.76 125.47 1jyn s ALA 228 Ca -0.10 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1jyn s ALA 228 Cb -0.16 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1jyn s ALA 228 CO 0.06 0.28 -0.08 0.95 0.00 0.00 0.00 175.76 176.97 1jyn s THR 229 N -1.71 0.80 0.09 0.00 -4.23 -1.26 -1.30 115.64 108.04 1jyn s THR 229 Ca 0.12 -0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.45 1jyn s THR 229 Cb -0.07 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1jyn s THR 229 CO 0.06 0.29 -0.23 0.00 -0.54 0.00 0.00 174.62 174.19 1jyn s ARG 230 N 0.92 1.32 0.28 3.99 1.70 -0.65 -4.85 118.95 121.65 1jyn s ARG 230 Ca -0.11 -1.16 0.06 0.00 -0.47 0.00 0.00 55.73 54.05 1jyn s ARG 230 Cb -0.15 -1.60 -0.06 0.00 -0.57 0.00 0.00 34.95 32.57 1jyn s ARG 230 CO 0.01 0.39 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.51 1jyn s PHE 231 N -1.02 1.92 0.82 5.89 0.40 -1.26 -0.64 117.98 124.07 1jyn s PHE 231 Ca 0.09 -0.75 -0.10 0.00 -0.60 0.00 0.00 56.93 55.58 1jyn s PHE 231 Cb -0.10 -1.12 0.18 0.00 0.51 0.00 0.00 43.02 42.49 1jyn s PHE 231 CO 0.04 0.22 1.11 0.27 0.70 0.00 0.00 175.22 177.56 1jyn n ASN 232 N -0.58 0.54 0.25 1.36 6.94 -0.67 -4.94 115.26 118.16 1jyn n ASN 232 Ca -0.05 -1.68 0.09 0.00 -0.02 0.00 0.00 54.58 52.92 1jyn n ASN 232 Cb 0.64 -0.81 0.63 0.00 -2.36 0.00 0.00 39.78 37.88 1jyn n ASN 232 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1jyn h ASP 233 N -1.21 0.00 -0.24 0.53 3.04 -2.01 -2.27 116.42 114.26 1jyn h ASP 233 Ca -0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 1jyn h ASP 233 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1jyn h ASP 233 CO 0.30 0.12 0.00 -0.90 -2.04 0.00 0.00 179.24 176.72 1jyn n ASP 234 N -4.11 3.02 -0.84 4.15 5.75 -1.26 -4.95 116.55 118.30 1jyn n ASP 234 Ca -0.02 -2.40 -0.11 0.00 -0.01 0.00 0.00 54.79 52.25 1jyn n ASP 234 Cb 0.20 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 1jyn n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jyn n PHE 235 N -0.12 0.00 0.98 2.11 3.01 -0.86 -4.87 117.46 117.71 1jyn n PHE 235 Ca 0.13 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.71 1jyn n PHE 235 Cb 0.56 -2.08 0.19 0.00 -0.01 0.00 0.00 39.48 38.14 1jyn n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jyn n SER 236 N 0.17 0.58 -3.90 4.37 3.41 -1.26 -4.59 113.62 112.41 1jyn n SER 236 Ca -0.11 -0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.04 1jyn n SER 236 Cb 0.37 0.37 -0.13 0.00 -0.26 0.00 0.00 64.21 64.55 1jyn n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jyn s ARG 237 N -3.01 0.07 0.15 4.33 0.52 -1.26 0.29 118.95 120.04 1jyn s ARG 237 Ca 0.10 -0.13 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1jyn s ARG 237 Cb 0.17 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1jyn s ARG 237 CO 0.73 -0.01 0.01 0.00 0.02 0.00 0.00 175.30 176.05 1jyn s ALA 238 N -0.31 1.14 -0.11 2.13 0.00 -0.13 -1.66 121.76 122.82 1jyn s ALA 238 Ca -0.03 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1jyn s ALA 238 Cb -0.02 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.72 1jyn s ALA 238 CO -0.00 -0.37 -0.13 0.08 0.00 0.00 0.00 175.76 175.34 1jyn s VAL 239 N -3.79 1.36 -0.12 0.00 1.01 0.18 -1.07 120.40 117.97 1jyn s VAL 239 Ca 0.22 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1jyn s VAL 239 Cb 0.07 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1jyn s VAL 239 CO 0.02 0.42 0.42 -0.22 0.00 0.00 0.00 175.10 175.74 1jyn s LEU 240 N 1.14 4.28 -0.15 3.92 0.20 0.11 -1.64 118.68 126.55 1jyn s LEU 240 Ca -0.04 0.74 0.01 0.00 0.69 0.00 0.00 54.13 55.52 1jyn s LEU 240 Cb -0.14 -2.59 0.02 0.00 -0.43 0.00 0.00 46.19 43.04 1jyn s LEU 240 CO -0.03 0.05 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.22 1jyn s GLU 241 N 0.46 2.47 -0.22 1.98 2.12 -0.42 0.18 118.70 125.27 1jyn s GLU 241 Ca 0.23 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.95 1jyn s GLU 241 Cb -0.15 -2.18 0.04 0.00 0.26 0.00 0.00 34.13 32.11 1jyn s GLU 241 CO 0.09 -0.18 -0.14 0.00 -0.54 0.00 0.00 175.26 174.49 1jyn s ALA 242 N 1.30 2.38 -0.14 6.30 0.00 0.04 -0.07 121.76 131.57 1jyn s ALA 242 Ca 0.02 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.34 1jyn s ALA 242 Cb -0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1jyn s ALA 242 CO -0.09 -0.87 0.35 -2.00 0.00 0.00 0.00 175.76 173.16 1jyn s GLU 243 N 1.22 4.26 -0.06 0.00 2.12 0.07 -1.20 118.70 125.10 1jyn s GLU 243 Ca -0.03 0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.56 1jyn s GLU 243 Cb -0.17 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1jyn s GLU 243 CO -0.08 0.24 -0.24 0.08 -0.54 0.00 0.00 175.26 174.72 1jyn s VAL 244 N 0.44 1.96 0.05 3.70 1.01 0.67 -0.95 120.40 127.28 1jyn s VAL 244 Ca 0.20 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1jyn s VAL 244 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1jyn s VAL 244 CO 0.06 0.54 -0.18 -1.10 0.00 0.00 0.00 175.10 174.43 1jyn s GLN 245 N -0.03 2.04 0.20 2.72 -0.21 -0.15 -1.42 119.66 122.81 1jyn s GLN 245 Ca -0.07 -1.00 0.08 0.00 0.02 0.00 0.00 55.36 54.39 1jyn s GLN 245 Cb -0.14 -2.19 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 1jyn s GLN 245 CO 0.04 0.53 -0.15 0.00 -2.12 0.00 0.00 175.29 173.60 1jyn s MET 246 N -1.54 1.31 0.21 2.91 0.23 -0.71 -0.15 119.30 121.56 1jyn s MET 246 Ca 0.15 -1.56 0.10 0.00 -1.03 0.00 0.00 55.69 53.35 1jyn s MET 246 Cb -0.11 -1.13 -0.05 0.00 -1.53 0.00 0.00 34.83 32.01 1jyn s MET 246 CO 0.06 0.19 -0.19 0.00 -2.03 0.00 0.00 175.02 173.05 1jyn n GLY 248 N -0.09 -1.50 3.68 0.00 0.00 -1.25 -1.04 105.19 104.98 1jyn n GLY 248 Ca -0.10 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 1jyn n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jyn s GLU 249 N -0.42 4.37 0.23 1.61 2.12 -1.26 -4.99 118.70 120.37 1jyn s GLU 249 Ca 0.00 1.42 -0.30 0.00 0.36 0.00 0.00 54.97 56.45 1jyn s GLU 249 Cb 0.00 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 1jyn s GLU 249 CO 0.00 -0.41 1.34 -0.51 -0.54 0.00 0.00 175.26 175.14 1jyn s LEU 250 N 2.35 4.41 -0.05 2.70 1.43 -1.26 -5.01 118.68 123.25 1jyn s LEU 250 Ca 0.48 2.49 -0.07 0.00 -1.03 0.00 0.00 54.13 56.01 1jyn s LEU 250 Cb -0.18 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.43 1jyn s LEU 250 CO 0.15 -0.56 0.17 -0.13 0.23 0.00 0.00 176.35 176.21 1jyn s ARG 251 N -0.37 0.30 0.58 1.70 1.81 -1.26 -5.02 118.95 116.69 1jyn s ARG 251 Ca 0.56 0.06 0.30 0.00 -1.72 0.00 0.00 55.73 54.93 1jyn s ARG 251 Cb -0.38 0.13 1.77 0.00 -0.45 0.00 0.00 34.95 36.02 1jyn s ARG 251 CO 0.41 -0.05 2.22 -0.44 -0.68 0.00 0.00 175.30 176.76 1jyn h ASP 252 N 5.38 0.00 0.35 0.23 3.32 -1.99 -1.43 116.42 122.27 1jyn h ASP 252 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1jyn h ASP 252 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1jyn h ASP 252 CO 0.40 0.03 -0.05 0.00 -1.72 0.00 0.00 179.24 177.89 1jyn n TYR 253 N -3.78 0.00 -2.46 4.55 0.18 -1.26 -4.85 117.16 109.55 1jyn n TYR 253 Ca -0.03 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.42 1jyn n TYR 253 Cb 0.11 -0.18 -0.03 0.00 -0.38 0.00 0.00 39.34 38.87 1jyn n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1jyn s LEU 254 N -2.40 3.77 0.05 -3.48 1.43 -0.54 -0.60 118.68 116.91 1jyn s LEU 254 Ca 0.32 1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 55.24 1jyn s LEU 254 Cb 0.20 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 1jyn s LEU 254 CO 0.45 -0.81 0.09 -0.13 0.23 0.00 0.00 176.35 176.17 1jyn s ARG 255 N -3.44 0.63 -0.10 1.70 1.81 0.12 -4.13 118.95 115.54 1jyn s ARG 255 Ca 0.66 -0.87 0.04 0.00 -1.72 0.00 0.00 55.73 53.83 1jyn s ARG 255 Cb -0.15 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 1jyn s ARG 255 CO 0.23 -0.16 -0.22 0.08 -0.68 0.00 0.00 175.30 174.55 1jyn s VAL 256 N -3.04 1.92 -0.14 3.52 1.01 -0.10 -0.94 120.40 122.63 1jyn s VAL 256 Ca -0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1jyn s VAL 256 Cb 0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1jyn s VAL 256 CO -0.07 0.53 -0.13 -0.89 0.00 0.00 0.00 175.10 174.55 1jyn s THR 257 N 0.40 3.03 -0.17 3.92 2.01 0.27 -1.43 115.64 123.67 1jyn s THR 257 Ca -0.18 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 1jyn s THR 257 Cb -0.18 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 1jyn s THR 257 CO 0.08 0.51 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.71 1jyn s VAL 258 N 0.52 2.86 0.10 3.82 1.01 -0.26 -0.75 120.40 127.70 1jyn s VAL 258 Ca -0.08 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1jyn s VAL 258 Cb -0.16 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1jyn s VAL 258 CO 0.04 0.50 -0.22 -0.94 0.00 0.00 0.00 175.10 174.47 1jyn s SER 259 N 0.93 3.56 -0.07 3.32 1.04 -0.67 -1.29 113.70 120.53 1jyn s SER 259 Ca -0.03 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1jyn s SER 259 Cb -0.15 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 65.57 1jyn s SER 259 CO -0.01 0.20 -0.21 -0.22 0.98 0.00 0.00 173.24 173.98 1jyn s LEU 260 N -1.86 1.98 0.05 2.42 2.96 0.22 -1.56 118.68 122.89 1jyn s LEU 260 Ca 0.15 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1jyn s LEU 260 Cb -0.10 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 1jyn s LEU 260 CO 0.07 0.17 -0.18 0.26 -1.32 0.00 0.00 176.35 175.34 1jyn s TRP 261 N 0.17 1.54 -0.32 5.38 0.52 -0.12 -0.64 118.94 125.47 1jyn s TRP 261 Ca -0.10 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.66 1jyn s TRP 261 Cb -0.15 -0.90 0.08 0.00 -1.15 0.00 0.00 33.47 31.35 1jyn s TRP 261 CO 0.05 0.08 0.02 -1.14 0.02 0.00 0.00 176.95 175.99 1jyn s GLN 262 N -1.30 1.91 7.48 4.98 -0.44 0.60 -1.30 119.66 131.57 1jyn s GLN 262 Ca 0.04 -1.64 0.00 0.00 -2.50 0.00 0.00 55.36 51.27 1jyn s GLN 262 Cb -0.09 -3.18 0.00 0.00 -1.64 0.00 0.00 33.01 28.10 1jyn s GLN 262 CO 0.02 -0.81 0.00 0.41 0.50 0.00 0.00 175.29 175.41 1jyn n GLY 263 N 4.41 2.75 0.82 2.59 0.00 -1.26 -1.60 105.19 112.89 1jyn n GLY 263 Ca -0.04 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1jyn n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jyn n GLU 264 N 13.48 2.08 -3.77 1.61 1.02 -1.26 -4.87 120.64 128.93 1jyn n GLU 264 Ca 0.00 -1.62 -0.35 0.00 -0.02 0.00 0.00 57.16 55.17 1jyn n GLU 264 Cb 0.00 -1.45 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 1jyn n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jyn s THR 265 N -1.68 5.33 -0.17 2.62 2.01 -0.63 -5.06 115.64 118.07 1jyn s THR 265 Ca 0.35 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 62.25 1jyn s THR 265 Cb 0.20 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1jyn s THR 265 CO 0.29 0.45 0.86 -1.58 -0.69 0.00 0.00 174.62 173.94 1jyn s GLN 266 N 0.33 4.31 -0.14 4.92 0.74 -1.26 -0.30 119.66 128.26 1jyn s GLN 266 Ca 0.07 1.07 0.00 0.00 0.05 0.00 0.00 55.36 56.56 1jyn s GLN 266 Cb -0.11 -3.57 -0.24 0.00 1.10 0.00 0.00 33.01 30.19 1jyn s GLN 266 CO -0.02 -0.34 0.29 0.28 -0.55 0.00 0.00 175.29 174.96 1jyn n VAL 267 N 4.75 1.67 -3.58 1.34 0.31 0.19 -4.94 118.33 118.07 1jyn n VAL 267 Ca 0.05 -0.68 -0.08 0.00 -0.01 0.00 0.00 64.34 63.62 1jyn n VAL 267 Cb 0.49 -1.46 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 1jyn n VAL 267 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jyn s ALA 268 N -2.55 -1.63 -0.06 3.52 0.00 -1.10 -4.99 121.76 114.95 1jyn s ALA 268 Ca -0.21 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 1jyn s ALA 268 Cb 0.07 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.93 1jyn s ALA 268 CO 0.75 -0.84 0.66 0.45 0.00 0.00 0.00 175.76 176.79 1jyn s SER 269 N -2.72 -0.64 -0.09 0.00 0.15 -1.26 -0.61 113.70 108.53 1jyn s SER 269 Ca 0.06 0.72 -0.14 0.00 0.70 0.00 0.00 55.95 57.29 1jyn s SER 269 Cb -0.02 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1jyn s SER 269 CO -0.06 -0.58 0.35 -0.83 1.20 0.00 0.00 173.24 173.32 1jyn s GLY 270 N -1.13 -0.24 0.02 9.45 0.00 -0.41 -4.99 107.32 110.02 1jyn s GLY 270 Ca -0.11 0.80 0.05 0.00 0.00 0.00 0.00 44.72 45.46 1jyn s GLY 270 CO 0.09 0.63 -0.14 -1.59 0.00 0.00 0.00 173.10 172.09 1jyn s THR 271 N -0.34 1.13 -0.00 0.90 2.01 -1.26 -1.11 115.64 116.97 1jyn s THR 271 Ca -0.05 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 1jyn s THR 271 Cb -0.03 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.54 1jyn s THR 271 CO 0.02 0.11 0.56 0.00 -0.69 0.00 0.00 174.62 174.62 1jyn s ALA 272 N -0.68 -1.45 0.69 7.40 0.00 -0.51 -4.99 121.76 122.21 1jyn s ALA 272 Ca 0.03 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1jyn s ALA 272 Cb -0.07 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1jyn s ALA 272 CO 0.01 -0.42 1.07 -1.25 0.00 0.00 0.00 175.76 175.17 1jyn s PRO 273 N -1.77 2.88 0.68 0.00 0.04 -1.26 -0.92 135.00 134.65 1jyn s PRO 273 Ca -0.09 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.21 1jyn s PRO 273 Cb -0.01 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1jyn s PRO 273 CO 0.04 -0.98 1.11 -0.06 0.04 0.00 0.00 177.00 177.15 1jyn s PHE 274 N -3.30 2.61 0.00 0.56 0.08 -1.26 -4.86 117.98 111.81 1jyn s PHE 274 Ca 0.57 1.55 0.00 0.00 0.12 0.00 0.00 56.93 59.18 1jyn s PHE 274 Cb -0.11 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 1jyn s PHE 274 CO 0.51 -1.72 0.00 0.41 -0.10 0.00 0.00 175.22 174.32 1jyn n GLY 275 N -0.63 2.26 3.93 4.36 0.00 0.29 -4.97 105.19 110.42 1jyn n GLY 275 Ca 0.10 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1jyn n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jyn s GLY 276 N 0.00 1.69 0.87 -0.02 0.00 0.93 -4.80 107.32 105.99 1jyn s GLY 276 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 1jyn s GLY 276 CO 0.00 -0.53 1.11 -1.83 0.00 0.00 0.00 173.10 171.86 1jyn s GLU 277 N -5.23 1.46 0.27 2.90 -1.05 -1.26 -4.42 118.70 111.38 1jyn s GLU 277 Ca 0.60 1.30 -0.31 0.00 -0.15 0.00 0.00 54.97 56.41 1jyn s GLU 277 Cb -0.11 -1.80 -0.12 0.00 -0.44 0.00 0.00 34.13 31.66 1jyn s GLU 277 CO 0.45 -2.24 1.54 -0.89 0.95 0.00 0.00 175.26 175.06 1jyn n ILE 278 N -3.94 0.92 -0.07 1.83 2.08 -1.26 -4.30 119.36 114.61 1jyn n ILE 278 Ca 0.10 -0.23 -0.11 0.00 0.56 0.00 0.00 62.75 63.07 1jyn n ILE 278 Cb 0.53 -1.79 -0.07 0.00 -0.75 0.00 0.00 39.64 37.56 1jyn n ILE 278 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1jyn n ILE 279 N 2.19 0.83 -2.82 1.39 2.08 0.11 -4.89 119.36 118.25 1jyn n ILE 279 Ca 0.10 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1jyn n ILE 279 Cb 0.35 -1.07 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 1jyn n ILE 279 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1jyn n ASP 280 N -2.99 0.00 0.30 4.38 5.68 -0.73 -5.01 116.55 118.19 1jyn n ASP 280 Ca -0.26 -0.58 0.18 0.00 -0.50 0.00 0.00 54.79 53.64 1jyn n ASP 280 Cb 0.77 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.71 1jyn n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jyn h GLU 281 N 0.00 0.00 -0.02 0.11 3.07 -2.05 -0.89 114.58 114.81 1jyn h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jyn h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jyn h GLU 281 CO 0.00 0.00 -0.18 0.54 -1.40 0.00 0.00 179.01 177.97 1jyn n ARG 282 N -3.18 1.55 0.00 2.33 5.12 -1.26 -5.07 116.66 116.16 1jyn n ARG 282 Ca -0.01 -1.14 0.00 0.00 -1.93 0.00 0.00 57.85 54.77 1jyn n ARG 282 Cb 0.27 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1jyn n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jyn n GLY 283 N 1.32 0.22 0.00 -0.13 0.00 -0.34 -5.07 105.19 101.19 1jyn n GLY 283 Ca 0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1jyn n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 284 N 0.00 4.23 3.50 -0.02 0.00 -1.26 0.07 105.19 111.72 1jyn n GLY 284 Ca 0.00 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1jyn n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jyn s TYR 285 N -1.41 3.12 -0.24 1.61 2.02 -1.26 -4.90 117.35 116.29 1jyn s TYR 285 Ca 0.00 -0.21 0.28 0.00 -0.37 0.00 0.00 57.07 56.77 1jyn s TYR 285 Cb 0.00 -3.12 0.96 0.00 -0.40 0.00 0.00 41.96 39.41 1jyn s TYR 285 CO 0.00 -0.78 1.81 0.00 -1.57 0.00 0.00 175.55 175.01 1jyn h ALA 286 N 8.80 1.00 -0.48 3.71 0.00 -1.94 0.27 119.26 130.62 1jyn h ALA 286 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jyn h ALA 286 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1jyn h ALA 286 CO 0.84 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 1jyn n ASP 287 N -2.85 3.23 -4.21 0.00 5.75 -1.26 -3.19 116.55 114.02 1jyn n ASP 287 Ca 0.02 -2.20 -0.12 0.00 -0.01 0.00 0.00 54.79 52.48 1jyn n ASP 287 Cb 0.37 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 1jyn n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jyn s ARG 288 N -1.60 0.98 -0.07 0.11 0.52 -1.11 -1.74 118.95 116.04 1jyn s ARG 288 Ca 0.35 -1.44 -0.14 0.00 -0.52 0.00 0.00 55.73 53.99 1jyn s ARG 288 Cb 0.21 -0.23 0.03 0.00 0.52 0.00 0.00 34.95 35.48 1jyn s ARG 288 CO 0.19 -0.08 0.33 0.54 0.02 0.00 0.00 175.30 176.31 1jyn s VAL 289 N -3.65 0.03 -0.21 3.52 0.11 -0.51 -0.55 120.40 119.15 1jyn s VAL 289 Ca 0.18 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1jyn s VAL 289 Cb 0.06 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1jyn s VAL 289 CO -0.00 -0.13 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.63 1jyn s THR 290 N -0.56 2.66 -0.08 5.04 2.01 -1.26 -0.24 115.64 123.21 1jyn s THR 290 Ca -0.07 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.01 1jyn s THR 290 Cb -0.04 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1jyn s THR 290 CO 0.02 0.43 0.25 -0.76 -0.69 0.00 0.00 174.62 173.87 1jyn s LEU 291 N 1.36 4.41 -0.14 4.42 2.01 -0.34 -4.92 118.68 125.47 1jyn s LEU 291 Ca 0.04 0.66 0.01 0.00 0.01 0.00 0.00 54.13 54.85 1jyn s LEU 291 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 46.19 43.79 1jyn s LEU 291 CO -0.08 0.35 -0.15 -0.13 1.01 0.00 0.00 176.35 177.35 1jyn s ARG 292 N -0.93 2.39 -0.10 1.70 0.52 -1.26 -0.78 118.95 120.49 1jyn s ARG 292 Ca 0.18 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1jyn s ARG 292 Cb -0.14 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1jyn s ARG 292 CO 0.07 -0.17 -0.23 -0.51 0.02 0.00 0.00 175.30 174.49 1jyn s LEU 293 N 1.29 2.05 0.09 2.53 1.43 0.13 -4.95 118.68 121.24 1jyn s LEU 293 Ca 0.01 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.33 1jyn s LEU 293 Cb -0.14 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 44.66 1jyn s LEU 293 CO -0.08 0.13 0.73 0.20 0.23 0.00 0.00 176.35 177.57 1jyn s ASN 294 N 0.45 7.24 -0.14 2.29 -0.87 -1.26 0.10 114.94 122.74 1jyn s ASN 294 Ca -0.17 1.47 -0.01 0.00 -1.57 0.00 0.00 52.86 52.59 1jyn s ASN 294 Cb -0.17 -2.46 0.04 0.00 -0.02 0.00 0.00 41.25 38.64 1jyn s ASN 294 CO 0.07 0.13 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.99 1jyn s VAL 295 N -0.61 0.92 0.00 1.60 1.01 -0.23 -4.87 120.40 118.22 1jyn s VAL 295 Ca 0.36 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1jyn s VAL 295 Cb -0.21 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 1jyn s VAL 295 CO 0.23 0.18 0.45 -1.61 0.00 0.00 0.00 175.10 174.35 1jyn s GLU 296 N 1.72 4.03 -1.42 2.72 0.41 -1.26 -0.96 118.70 123.94 1jyn s GLU 296 Ca 0.02 0.48 -0.01 0.00 -0.41 0.00 0.00 54.97 55.06 1jyn s GLU 296 Cb -0.14 -3.25 0.01 0.00 -1.78 0.00 0.00 34.13 28.96 1jyn s GLU 296 CO -0.07 0.62 0.42 0.09 -0.49 0.00 0.00 175.26 175.83 1jyn n ASN 297 N 2.01 -0.38 -4.74 -0.19 4.13 0.15 -4.88 115.26 111.35 1jyn n ASN 297 Ca -0.12 -1.01 -0.39 0.00 1.68 0.00 0.00 54.58 54.74 1jyn n ASN 297 Cb 0.52 -3.03 0.04 0.00 -1.54 0.00 0.00 39.78 35.77 1jyn n ASN 297 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1jyn n PRO 298 N -4.40 1.78 -2.58 3.52 -0.04 -1.26 -4.92 135.00 127.10 1jyn n PRO 298 Ca -0.30 0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 1jyn n PRO 298 Cb 0.68 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 1jyn n PRO 298 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jyn s LYS 299 N -2.80 3.89 0.43 0.54 1.02 -1.26 -4.99 119.74 116.56 1jyn s LYS 299 Ca 0.70 0.90 -0.21 0.00 0.02 0.00 0.00 55.97 57.37 1jyn s LYS 299 Cb -0.42 -3.84 -0.11 0.00 -0.52 0.00 0.00 37.83 32.94 1jyn s LYS 299 CO 0.51 -1.15 0.96 -0.51 -0.92 0.00 0.00 175.35 174.24 1jyn s LEU 300 N 4.15 3.96 0.12 3.17 1.43 -1.26 -4.48 118.68 125.77 1jyn s LEU 300 Ca 0.49 1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 1jyn s LEU 300 Cb -0.11 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.55 1jyn s LEU 300 CO 0.24 -0.39 0.48 0.86 0.23 0.00 0.00 176.35 177.76 1jyn s TRP 301 N -2.11 3.59 0.22 0.29 -0.00 0.15 -4.08 118.94 117.00 1jyn s TRP 301 Ca 0.62 0.93 -0.22 0.00 -0.00 0.00 0.00 56.10 57.42 1jyn s TRP 301 Cb -0.11 -2.27 0.04 0.00 -0.00 0.00 0.00 33.47 31.13 1jyn s TRP 301 CO 0.15 0.47 0.74 -1.54 -0.00 0.00 0.00 176.95 176.76 1jyn s SER 302 N -1.75 -0.32 0.49 5.86 1.04 -0.81 -4.65 113.70 113.56 1jyn s SER 302 Ca 0.36 -0.41 0.28 0.00 0.48 0.00 0.00 55.95 56.66 1jyn s SER 302 Cb -0.14 0.65 1.13 0.00 0.10 0.00 0.00 66.02 67.75 1jyn s SER 302 CO 0.19 -1.16 1.90 0.00 0.98 0.00 0.00 173.24 175.15 1jyn h ALA 303 N 2.00 1.03 -0.11 5.32 0.00 -1.91 -2.11 119.26 123.49 1jyn h ALA 303 Ca -0.23 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1jyn h ALA 303 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jyn h ALA 303 CO 0.27 0.15 -0.32 0.93 0.00 0.00 0.00 179.25 180.28 1jyn h GLU 304 N 0.00 0.40 -2.59 0.00 5.08 -1.93 -3.41 114.58 112.12 1jyn h GLU 304 Ca -0.00 -0.29 -0.51 0.00 -1.00 0.00 0.00 59.36 57.56 1jyn h GLU 304 Cb 0.63 0.05 -0.38 0.00 0.50 0.00 0.00 28.75 29.55 1jyn h GLU 304 CO 0.02 0.91 -0.77 0.42 -1.00 0.00 0.00 179.01 178.59 1jyn s ILE 305 N -3.82 -0.08 -1.10 3.13 1.01 -1.14 -4.99 121.20 114.20 1jyn s ILE 305 Ca -0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.45 1jyn s ILE 305 Cb 0.05 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.44 1jyn s ILE 305 CO 0.78 -0.76 2.52 -0.81 0.00 0.00 0.00 174.94 176.68 1jyn n PRO 306 N 4.87 2.66 -1.92 2.79 -0.04 -0.81 -1.93 135.00 140.62 1jyn n PRO 306 Ca 0.00 -1.67 -0.42 0.00 -0.04 0.00 0.00 63.50 61.37 1jyn n PRO 306 Cb 0.41 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 1jyn n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1jyn s ASN 307 N 2.81 6.57 0.04 3.54 0.01 -1.26 -4.89 114.94 121.76 1jyn s ASN 307 Ca 0.52 2.67 0.06 0.00 -0.71 0.00 0.00 52.86 55.40 1jyn s ASN 307 Cb 0.15 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1jyn s ASN 307 CO -0.04 -0.82 -0.16 -0.76 -1.51 0.00 0.00 177.10 173.81 1jyn s LEU 308 N 0.74 2.18 0.48 0.60 1.43 -1.26 -4.13 118.68 118.72 1jyn s LEU 308 Ca 0.68 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1jyn s LEU 308 Cb -0.44 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1jyn s LEU 308 CO 0.35 0.06 0.26 -0.31 0.23 0.00 0.00 176.35 176.93 1jyn s TYR 309 N -0.87 2.14 -0.14 0.29 1.51 0.74 -4.55 117.35 116.46 1jyn s TYR 309 Ca 0.03 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1jyn s TYR 309 Cb -0.08 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1jyn s TYR 309 CO 0.02 -0.09 -0.16 0.50 -1.11 0.00 0.00 175.55 174.71 1jyn s ARG 310 N -4.06 2.40 -0.17 -0.62 6.06 -0.42 0.71 118.95 122.84 1jyn s ARG 310 Ca 0.34 -0.61 -0.14 0.00 -2.50 0.00 0.00 55.73 52.83 1jyn s ARG 310 Cb 0.01 -2.12 -0.05 0.00 0.06 0.00 0.00 34.95 32.85 1jyn s ARG 310 CO 0.20 -0.17 0.29 0.00 -2.50 0.00 0.00 175.30 173.11 1jyn s ALA 311 N 1.29 3.59 -0.14 6.12 0.00 -0.16 -0.95 121.76 131.51 1jyn s ALA 311 Ca 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1jyn s ALA 311 Cb -0.14 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1jyn s ALA 311 CO -0.08 0.06 -0.21 0.08 0.00 0.00 0.00 175.76 175.61 1jyn s VAL 312 N 0.54 2.10 -0.32 0.00 1.01 -0.60 -1.36 120.40 121.77 1jyn s VAL 312 Ca 0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1jyn s VAL 312 Cb -0.13 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1jyn s VAL 312 CO 0.04 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.10 1jyn s VAL 313 N 0.85 4.02 -0.16 2.92 1.01 0.88 -1.67 120.40 128.26 1jyn s VAL 313 Ca -0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1jyn s VAL 313 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1jyn s VAL 313 CO -0.03 -0.05 0.00 -1.61 0.00 0.00 0.00 175.10 173.41 1jyn s GLU 314 N 1.48 3.71 -0.26 2.72 2.02 0.07 -1.08 118.70 127.37 1jyn s GLU 314 Ca 0.01 -0.45 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 1jyn s GLU 314 Cb -0.18 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1jyn s GLU 314 CO 0.03 0.30 0.13 -1.17 0.02 0.00 0.00 175.26 174.58 1jyn s LEU 315 N 0.24 3.79 0.00 1.80 2.96 0.30 -0.56 118.68 127.20 1jyn s LEU 315 Ca -0.00 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1jyn s LEU 315 Cb -0.13 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.56 1jyn s LEU 315 CO 0.02 -0.02 0.56 0.00 -1.32 0.00 0.00 176.35 175.60 1jyn n HIS 316 N 4.82 -1.76 -3.89 5.38 1.44 -0.12 -0.68 115.22 120.42 1jyn n HIS 316 Ca -0.15 -1.91 -0.21 0.00 -2.01 0.00 0.00 57.72 53.45 1jyn n HIS 316 Cb 0.52 0.65 -0.02 0.00 0.12 0.00 0.00 29.99 31.26 1jyn n HIS 316 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1jyn s THR 317 N -2.51 4.74 0.40 0.61 -4.23 -0.37 0.11 115.64 114.39 1jyn s THR 317 Ca 0.21 -1.10 0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1jyn s THR 317 Cb -0.03 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.47 1jyn s THR 317 CO 0.15 -0.29 2.01 0.00 -0.54 0.00 0.00 174.62 175.95 1jyn h ALA 318 N 1.18 1.78 0.00 3.99 0.00 -1.18 0.20 119.26 125.24 1jyn h ALA 318 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1jyn h ALA 318 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jyn h ALA 318 CO 0.59 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 1jyn n ASP 319 N -4.47 0.00 0.00 0.00 5.68 -1.26 -4.87 116.55 111.63 1jyn n ASP 319 Ca 0.07 -0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1jyn n ASP 319 Cb 0.19 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1jyn n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jyn n GLY 320 N 0.71 1.07 3.73 6.12 0.00 0.70 -5.08 105.19 112.43 1jyn n GLY 320 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1jyn n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyn s THR 321 N -2.00 5.07 0.14 2.61 2.01 -1.25 -4.84 115.64 117.38 1jyn s THR 321 Ca 0.00 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 1jyn s THR 321 Cb 0.00 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 1jyn s THR 321 CO 0.00 0.30 1.10 -0.22 -0.69 0.00 0.00 174.62 175.12 1jyn s LEU 322 N 0.57 4.46 -0.19 4.42 2.96 -1.26 -1.23 118.68 128.41 1jyn s LEU 322 Ca 0.33 2.03 -0.16 0.00 -0.22 0.00 0.00 54.13 56.11 1jyn s LEU 322 Cb -0.17 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1jyn s LEU 322 CO 0.16 -0.26 -0.06 -0.38 -1.32 0.00 0.00 176.35 174.49 1jyn n ILE 323 N 2.78 1.48 -3.74 6.68 5.41 0.14 -4.97 119.36 127.15 1jyn n ILE 323 Ca 0.04 0.05 -0.03 0.00 1.00 0.00 0.00 62.75 63.81 1jyn n ILE 323 Cb 0.47 -2.19 -0.01 0.00 -0.71 0.00 0.00 39.64 37.20 1jyn n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1jyn s GLU 324 N -2.38 1.08 0.02 0.38 -1.05 -1.03 -4.89 118.70 110.83 1jyn s GLU 324 Ca -0.24 -0.60 0.01 0.00 -0.15 0.00 0.00 54.97 53.98 1jyn s GLU 324 Cb 0.05 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.09 1jyn s GLU 324 CO 0.42 -0.49 -0.04 0.00 0.95 0.00 0.00 175.26 176.10 1jyn s ALA 325 N -3.08 0.27 0.37 -0.84 0.00 -0.27 -0.54 121.76 117.67 1jyn s ALA 325 Ca 0.13 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.71 1jyn s ALA 325 Cb -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1jyn s ALA 325 CO 0.02 -0.03 0.07 -1.21 0.00 0.00 0.00 175.76 174.61 1jyn s GLU 326 N -0.87 1.81 -0.01 0.00 0.41 -0.24 -0.93 118.70 118.87 1jyn s GLU 326 Ca -0.07 -2.05 -0.30 0.00 -0.41 0.00 0.00 54.97 52.14 1jyn s GLU 326 Cb -0.06 -0.87 0.11 0.00 -1.78 0.00 0.00 34.13 31.53 1jyn s GLU 326 CO -0.00 -0.29 1.21 0.00 -0.49 0.00 0.00 175.26 175.68 1jyn s ALA 327 N -3.21 -2.11 0.22 5.21 0.00 -1.26 -0.09 121.76 120.53 1jyn s ALA 327 Ca 0.29 0.70 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 1jyn s ALA 327 Cb 0.06 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1jyn s ALA 327 CO 0.14 -0.99 0.56 0.00 0.00 0.00 0.00 175.76 175.47 1jyn s ASP 329 N -2.91 7.37 -0.07 0.00 1.01 -1.26 -0.99 116.67 119.82 1jyn s ASP 329 Ca 0.12 1.66 0.04 0.00 0.71 0.00 0.00 52.55 55.07 1jyn s ASP 329 Cb -0.02 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1jyn s ASP 329 CO 0.01 0.17 -0.19 -0.69 0.21 0.00 0.00 175.17 174.68 1jyn s VAL 330 N -1.22 1.66 -0.19 -1.27 1.01 0.22 -4.68 120.40 115.93 1jyn s VAL 330 Ca 0.38 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1jyn s VAL 330 Cb -0.22 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1jyn s VAL 330 CO 0.26 0.47 -0.11 -0.83 0.00 0.00 0.00 175.10 174.89 1jyn s GLY 331 N 0.33 1.52 -0.50 4.51 0.00 -1.26 -0.18 107.32 111.73 1jyn s GLY 331 Ca -0.13 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 1jyn s GLY 331 CO 0.06 0.29 1.25 -1.36 0.00 0.00 0.00 173.10 173.34 1jyn s PHE 332 N 1.26 2.60 0.03 1.90 0.40 -1.26 -4.79 117.98 118.12 1jyn s PHE 332 Ca 0.03 0.60 -0.28 0.00 -0.60 0.00 0.00 56.93 56.68 1jyn s PHE 332 Cb -0.14 -4.43 0.07 0.00 0.51 0.00 0.00 43.02 39.03 1jyn s PHE 332 CO -0.05 -1.60 0.65 -0.98 0.70 0.00 0.00 175.22 173.93 1jyn s ARG 333 N 4.83 1.15 -0.04 0.44 3.03 -1.26 -0.67 118.95 126.43 1jyn s ARG 333 Ca 0.50 -0.03 0.06 0.00 2.03 0.00 0.00 55.73 58.29 1jyn s ARG 333 Cb -0.09 0.53 -0.02 0.00 -1.03 0.00 0.00 34.95 34.34 1jyn s ARG 333 CO 0.30 -0.42 -0.21 -2.00 -1.13 0.00 0.00 175.30 171.84 1jyn s GLU 334 N -2.20 2.33 -0.09 3.89 2.12 -1.26 -4.85 118.70 118.65 1jyn s GLU 334 Ca -0.06 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.47 1jyn s GLU 334 Cb -0.00 -2.20 0.01 0.00 0.26 0.00 0.00 34.13 32.19 1jyn s GLU 334 CO 0.01 0.57 -0.20 0.08 -0.54 0.00 0.00 175.26 175.18 1jyn s VAL 335 N -0.61 1.73 0.13 3.70 1.01 -1.26 -1.03 120.40 124.07 1jyn s VAL 335 Ca 0.09 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1jyn s VAL 335 Cb -0.11 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1jyn s VAL 335 CO 0.00 0.49 0.56 0.00 0.00 0.00 0.00 175.10 176.14 1jyn s ARG 336 N 0.52 1.20 -0.17 2.72 1.70 -0.54 -4.66 118.95 119.72 1jyn s ARG 336 Ca -0.16 -0.46 -0.02 0.00 -0.47 0.00 0.00 55.73 54.62 1jyn s ARG 336 Cb -0.17 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1jyn s ARG 336 CO 0.06 -0.50 -0.08 0.42 -1.08 0.00 0.00 175.30 174.11 1jyn s ILE 337 N -3.52 3.27 -0.03 4.99 1.01 -1.26 -0.08 121.20 125.57 1jyn s ILE 337 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 1jyn s ILE 337 Cb -0.00 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.06 1jyn s ILE 337 CO -0.11 0.48 0.01 -0.70 0.00 0.00 0.00 174.94 174.63 1jyn s GLU 338 N 0.85 0.23 -1.50 2.79 2.12 -0.09 -4.84 118.70 118.26 1jyn s GLU 338 Ca -0.02 0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.44 1jyn s GLU 338 Cb -0.15 -0.52 0.01 0.00 0.26 0.00 0.00 34.13 33.73 1jyn s GLU 338 CO 0.01 -0.19 0.15 -1.71 -0.54 0.00 0.00 175.26 172.97 1jyn n ASN 339 N 4.46 -5.22 0.00 -1.70 5.15 -1.26 -1.56 115.26 115.12 1jyn n ASN 339 Ca -0.20 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1jyn n ASN 339 Cb 0.50 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 35.41 1jyn n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jyn n GLY 340 N -1.06 0.74 3.21 8.20 0.00 -1.26 -5.05 105.19 109.97 1jyn n GLY 340 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1jyn n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 341 N 0.00 2.06 -0.24 0.99 1.43 -0.60 -2.40 118.68 119.92 1jyn s LEU 341 Ca 0.00 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.48 1jyn s LEU 341 Cb 0.00 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1jyn s LEU 341 CO 0.00 0.23 0.83 -0.22 0.23 0.00 0.00 176.35 177.42 1jyn s LEU 342 N -0.56 4.08 -0.02 1.79 2.96 -1.26 -0.91 118.68 124.76 1jyn s LEU 342 Ca 0.08 1.03 0.04 0.00 -0.22 0.00 0.00 54.13 55.06 1jyn s LEU 342 Cb -0.08 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1jyn s LEU 342 CO -0.00 -0.51 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.64 1jyn s LEU 343 N 2.81 2.89 -0.15 -0.68 1.43 0.88 -1.72 118.68 124.15 1jyn s LEU 343 Ca 0.35 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1jyn s LEU 343 Cb -0.15 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1jyn s LEU 343 CO 0.07 0.31 -0.16 -0.22 0.23 0.00 0.00 176.35 176.59 1jyn s LEU 344 N -1.09 1.79 -1.44 1.79 2.96 0.72 -1.47 118.68 121.94 1jyn s LEU 344 Ca 0.14 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1jyn s LEU 344 Cb -0.11 -1.23 0.03 0.00 0.50 0.00 0.00 46.19 45.39 1jyn s LEU 344 CO 0.04 -0.03 0.55 0.59 -1.32 0.00 0.00 176.35 176.18 1jyn n ASN 345 N 4.61 -5.13 0.00 3.68 3.02 -0.20 -1.40 115.26 119.84 1jyn n ASN 345 Ca -0.18 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1jyn n ASN 345 Cb 0.50 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 1jyn n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jyn n GLY 346 N -1.37 0.98 3.35 7.41 0.00 -1.26 -5.02 105.19 109.28 1jyn n GLY 346 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1jyn n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyn s LYS 347 N -0.01 1.54 -0.06 1.61 -0.14 -0.49 -4.98 119.74 117.21 1jyn s LYS 347 Ca 0.00 -1.21 -0.30 0.00 -1.36 0.00 0.00 55.97 53.11 1jyn s LYS 347 Cb 0.00 -1.86 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 1jyn s LYS 347 CO 0.00 0.46 1.15 -1.25 -0.76 0.00 0.00 175.35 174.95 1jyn s PRO 348 N -1.64 4.37 0.68 -1.68 0.04 -1.26 -0.20 135.00 135.31 1jyn s PRO 348 Ca 0.12 1.61 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1jyn s PRO 348 Cb -0.10 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1jyn s PRO 348 CO 0.04 -0.40 1.07 -0.51 0.04 0.00 0.00 177.00 177.24 1jyn s LEU 349 N 2.11 3.26 -0.35 -3.56 1.43 -0.70 -4.94 118.68 115.93 1jyn s LEU 349 Ca 0.54 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1jyn s LEU 349 Cb -0.23 -4.52 0.12 0.00 0.03 0.00 0.00 46.19 41.58 1jyn s LEU 349 CO 0.21 -1.51 0.16 -0.22 0.23 0.00 0.00 176.35 175.22 1jyn s LEU 350 N -5.21 2.04 -0.33 1.79 2.96 -1.26 -4.78 118.68 113.89 1jyn s LEU 350 Ca 0.62 -1.98 -0.29 0.00 -0.22 0.00 0.00 54.13 52.25 1jyn s LEU 350 Cb -0.16 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.73 1jyn s LEU 350 CO 0.48 -0.36 1.38 -0.63 -1.32 0.00 0.00 176.35 175.90 1jyn s ILE 351 N 1.20 4.00 -1.01 6.68 -1.09 0.16 -4.92 121.20 126.21 1jyn s ILE 351 Ca 0.13 1.09 -0.05 0.00 -2.23 0.00 0.00 60.65 59.59 1jyn s ILE 351 Cb -0.20 -4.11 0.25 0.00 -1.58 0.00 0.00 42.46 36.82 1jyn s ILE 351 CO -0.15 -0.55 0.96 0.54 -1.23 0.00 0.00 174.94 174.51 1jyn n ARG 352 N 7.63 3.11 -3.47 2.79 1.74 -1.26 -2.26 116.66 124.93 1jyn n ARG 352 Ca 0.16 -4.47 -0.20 0.00 -0.77 0.00 0.00 57.85 52.57 1jyn n ARG 352 Cb 0.47 -2.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.41 1jyn n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jyn s GLY 353 N 0.57 2.00 -0.05 -0.13 0.00 0.06 0.08 107.32 109.85 1jyn s GLY 353 Ca 0.29 -1.77 -0.09 0.00 0.00 0.00 0.00 44.72 43.15 1jyn s GLY 353 CO -0.10 -1.61 0.21 0.54 0.00 0.00 0.00 173.10 172.14 1jyn s VAL 354 N -2.40 0.04 0.25 1.40 0.11 -0.73 -0.93 120.40 118.14 1jyn s VAL 354 Ca 0.48 -0.30 -0.25 0.00 -2.93 0.00 0.00 61.98 58.99 1jyn s VAL 354 Cb -0.06 -0.41 -0.09 0.00 -1.53 0.00 0.00 36.38 34.30 1jyn s VAL 354 CO 0.29 -0.16 0.86 0.20 -3.33 0.00 0.00 175.10 172.95 1jyn s ASN 355 N -0.59 7.34 -0.07 3.54 0.01 -0.35 -0.87 114.94 123.94 1jyn s ASN 355 Ca -0.07 1.72 -0.03 0.00 -0.71 0.00 0.00 52.86 53.77 1jyn s ASN 355 Cb -0.04 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 39.13 1jyn s ASN 355 CO 0.01 0.05 0.09 -0.60 -1.51 0.00 0.00 177.10 175.14 1jyn s ARG 356 N -1.70 -0.03 0.61 -0.60 3.52 -0.95 -0.55 118.95 119.26 1jyn s ARG 356 Ca 0.44 0.33 -0.04 0.00 -0.13 0.00 0.00 55.73 56.32 1jyn s ARG 356 Cb -0.20 -0.71 0.03 0.00 -1.56 0.00 0.00 34.95 32.50 1jyn s ARG 356 CO 0.25 -0.39 0.90 -1.01 -0.81 0.00 0.00 175.30 174.24 1jyn s HIS 357 N 2.19 3.06 -0.65 5.12 3.76 -1.26 -3.93 115.29 123.59 1jyn s HIS 357 Ca 0.04 0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 55.17 1jyn s HIS 357 Cb -0.13 -2.86 0.08 0.00 1.11 0.00 0.00 32.58 30.78 1jyn s HIS 357 CO -0.05 -1.00 0.89 -1.21 -0.85 0.00 0.00 174.74 172.52 1jyn s GLU 358 N -5.00 3.10 -0.09 1.40 2.02 -1.26 -4.94 118.70 113.93 1jyn s GLU 358 Ca 0.56 -1.02 -0.07 0.00 0.02 0.00 0.00 54.97 54.47 1jyn s GLU 358 Cb -0.11 -4.26 0.03 0.00 0.10 0.00 0.00 34.13 29.89 1jyn s GLU 358 CO 0.43 -1.73 0.22 -1.58 0.02 0.00 0.00 175.26 172.62 1jyn s HIS 359 N 3.59 -0.26 -0.04 1.61 2.46 -1.26 -4.50 115.29 116.89 1jyn s HIS 359 Ca 0.19 0.63 0.01 0.00 0.47 0.00 0.00 55.06 56.36 1jyn s HIS 359 Cb -0.19 0.07 0.02 0.00 -0.13 0.00 0.00 32.58 32.35 1jyn s HIS 359 CO 0.08 -0.15 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.59 1jyn s HIS 360 N 0.44 0.66 0.62 3.88 5.04 0.66 -4.99 115.29 121.59 1jyn s HIS 360 Ca -0.03 -0.16 0.34 0.00 -1.54 0.00 0.00 55.06 53.67 1jyn s HIS 360 Cb -0.04 -0.61 1.99 0.00 0.04 0.00 0.00 32.58 33.96 1jyn s HIS 360 CO -0.02 -0.17 2.25 -1.00 -2.34 0.00 0.00 174.74 173.46 1jyn h PRO 361 N 7.16 0.00 0.00 2.88 0.13 -1.78 -0.61 132.00 139.78 1jyn h PRO 361 Ca -0.39 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.49 1jyn h PRO 361 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1jyn h PRO 361 CO 0.48 0.00 -1.92 1.28 -0.23 0.00 0.00 178.00 177.60 1jyn n LEU 362 N -3.55 2.32 -0.65 1.56 4.77 -1.26 -1.65 117.00 118.53 1jyn n LEU 362 Ca -0.02 -0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 1jyn n LEU 362 Cb 0.13 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.22 1jyn n LEU 362 CO 0.24 0.67 0.79 1.41 -1.33 0.00 0.00 177.39 179.17 1jyn n HIS 363 N -2.87 0.05 0.00 -1.77 8.25 -1.19 -4.94 115.22 112.75 1jyn n HIS 363 Ca -0.27 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1jyn n HIS 363 Cb 0.83 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1jyn n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jyn n GLY 364 N 1.23 2.37 0.74 -1.41 0.00 -0.24 -2.72 105.19 105.17 1jyn n GLY 364 Ca 0.17 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1jyn n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jyn n GLN 365 N 8.29 2.90 -2.80 1.61 6.02 -1.26 -0.25 117.38 131.90 1jyn n GLN 365 Ca 0.00 -2.21 -0.42 0.00 -0.01 0.00 0.00 57.00 54.36 1jyn n GLN 365 Cb 0.00 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1jyn n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jyn s VAL 366 N -1.26 4.88 0.12 5.09 1.01 -1.10 -4.84 120.40 124.30 1jyn s VAL 366 Ca 0.28 1.87 0.04 0.00 0.00 0.00 0.00 61.98 64.17 1jyn s VAL 366 Cb 0.16 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1jyn s VAL 366 CO 0.16 0.12 0.11 -0.04 0.00 0.00 0.00 175.10 175.45 1jyn s MET 367 N 1.41 2.91 0.10 2.72 -1.94 -1.26 -4.73 119.30 118.51 1jyn s MET 367 Ca 0.46 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.71 1jyn s MET 367 Cb -0.19 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 1jyn s MET 367 CO 0.21 0.53 -0.09 0.16 -0.01 0.00 0.00 175.02 175.82 1jyn s ASP 368 N -2.71 1.39 0.29 3.03 -4.77 -1.26 -5.05 116.67 107.59 1jyn s ASP 368 Ca 0.30 -0.84 -0.02 0.00 -3.30 0.00 0.00 52.55 48.70 1jyn s ASP 368 Cb -0.11 0.02 0.44 0.00 -1.09 0.00 0.00 42.92 42.18 1jyn s ASP 368 CO 0.23 -0.29 1.95 -0.08 0.70 0.00 0.00 175.17 177.68 1jyn h GLU 369 N 3.48 1.10 -0.51 2.11 4.81 -1.99 -1.76 114.58 121.82 1jyn h GLU 369 Ca -0.37 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1jyn h GLU 369 Cb 1.19 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1jyn h GLU 369 CO 0.55 0.73 0.33 0.37 -0.73 0.00 0.00 179.01 180.25 1jyn h GLN 370 N 1.13 0.66 -0.25 1.92 4.15 -1.99 -1.29 115.11 119.44 1jyn h GLN 370 Ca 0.33 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.66 1jyn h GLN 370 Cb -0.07 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1jyn h GLN 370 CO -0.08 0.43 -0.02 1.15 -1.93 0.00 0.00 178.83 178.38 1jyn h THR 371 N 0.68 1.27 -0.34 2.39 2.02 -1.94 0.78 112.91 117.75 1jyn h THR 371 Ca 0.19 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.47 1jyn h THR 371 Cb -0.06 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1jyn h THR 371 CO -0.05 0.30 -0.02 0.24 0.37 0.00 0.00 175.52 176.36 1jyn h MET 372 N 0.22 0.07 -0.35 6.66 2.86 -1.08 0.97 114.93 124.27 1jyn h MET 372 Ca 0.07 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1jyn h MET 372 Cb 0.46 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1jyn h MET 372 CO 0.02 0.04 0.13 0.28 1.06 0.00 0.00 176.91 178.44 1jyn h VAL 373 N 0.07 1.20 -0.61 -2.22 2.07 -1.05 -0.97 116.25 114.73 1jyn h VAL 373 Ca 0.17 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1jyn h VAL 373 Cb 0.24 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1jyn h VAL 373 CO -0.30 0.22 0.33 -0.61 0.02 0.00 0.00 177.57 177.22 1jyn h GLN 374 N 0.42 0.60 -0.57 1.57 4.15 -0.55 0.02 115.11 120.76 1jyn h GLN 374 Ca 0.12 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1jyn h GLN 374 Cb 0.21 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1jyn h GLN 374 CO -0.01 0.40 0.31 -0.44 -1.93 0.00 0.00 178.83 177.16 1jyn h ASP 375 N 0.62 0.72 -0.06 -0.69 3.32 -0.14 -1.70 116.42 118.48 1jyn h ASP 375 Ca 0.27 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 1jyn h ASP 375 Cb 0.16 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1jyn h ASP 375 CO -0.17 0.62 -0.35 0.40 -1.72 0.00 0.00 179.24 178.01 1jyn h ILE 376 N 0.77 1.29 -0.45 0.35 2.04 -0.48 -0.32 117.51 120.72 1jyn h ILE 376 Ca 0.20 -1.49 -0.13 0.00 1.00 0.00 0.00 64.86 64.45 1jyn h ILE 376 Cb 0.06 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1jyn h ILE 376 CO -0.03 0.47 -0.22 -0.07 0.00 0.00 0.00 178.15 178.30 1jyn h LEU 377 N 0.47 0.93 -0.81 1.44 3.38 -0.87 -1.12 115.31 118.72 1jyn h LEU 377 Ca 0.05 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1jyn h LEU 377 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1jyn h LEU 377 CO 0.07 1.11 -0.34 -0.07 0.09 0.00 0.00 178.44 179.30 1jyn h LEU 378 N 0.78 0.51 0.42 1.67 3.38 -0.90 -0.90 115.31 120.26 1jyn h LEU 378 Ca 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1jyn h LEU 378 Cb 0.77 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jyn h LEU 378 CO 0.06 0.82 -0.23 0.24 0.09 0.00 0.00 178.44 179.42 1jyn h MET 379 N 0.42 -0.58 -0.88 1.13 2.86 -0.73 -0.26 114.93 116.89 1jyn h MET 379 Ca 0.05 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1jyn h MET 379 Cb 0.79 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1jyn h MET 379 CO 0.06 -0.39 0.52 0.87 1.06 0.00 0.00 176.91 179.04 1jyn h LYS 380 N -0.60 1.20 0.00 1.72 1.57 -1.06 -0.24 116.57 119.17 1jyn h LYS 380 Ca -0.05 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1jyn h LYS 380 Cb 0.48 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jyn h LYS 380 CO 0.07 0.85 -0.08 1.96 -0.57 0.00 0.00 179.45 181.68 1jyn h GLN 381 N 1.21 0.00 -0.61 3.15 4.20 -1.04 -1.73 115.11 120.30 1jyn h GLN 381 Ca 0.31 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.91 1jyn h GLN 381 Cb -0.03 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 1jyn h GLN 381 CO -0.06 0.08 0.13 0.09 -0.67 0.00 0.00 178.83 178.40 1jyn n ASN 382 N -3.38 4.97 -1.58 1.46 3.02 -0.12 -4.94 115.26 114.69 1jyn n ASN 382 Ca -0.01 -3.12 -0.15 0.00 -0.03 0.00 0.00 54.58 51.26 1jyn n ASN 382 Cb 0.24 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 1jyn n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jyn n ASN 383 N 0.04 -4.68 -4.84 6.41 3.02 -0.65 -3.98 115.26 110.57 1jyn n ASN 383 Ca 0.34 0.10 -0.35 0.00 -0.03 0.00 0.00 54.58 54.64 1jyn n ASN 383 Cb 1.25 -3.73 -0.06 0.00 -0.61 0.00 0.00 39.78 36.63 1jyn n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1jyn s PHE 384 N -2.71 3.60 0.00 3.10 0.40 -0.38 -4.83 117.98 117.16 1jyn s PHE 384 Ca 0.00 1.07 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 1jyn s PHE 384 Cb 0.00 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.15 1jyn s PHE 384 CO 0.00 0.41 0.80 0.27 0.70 0.00 0.00 175.22 177.41 1jyn n ASN 385 N 0.75 1.25 -3.51 1.36 0.23 0.11 -4.29 115.26 111.17 1jyn n ASN 385 Ca -0.05 -1.62 -0.15 0.00 -0.53 0.00 0.00 54.58 52.24 1jyn n ASN 385 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.17 1jyn n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jyn s ALA 386 N -0.62 -1.57 -0.03 -2.53 0.00 -1.06 -0.98 121.76 114.98 1jyn s ALA 386 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 1jyn s ALA 386 Cb 0.00 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1jyn s ALA 386 CO 0.00 -0.54 0.10 0.54 0.00 0.00 0.00 175.76 175.86 1jyn s VAL 387 N -2.43 0.03 -0.17 0.00 0.11 0.46 -1.77 120.40 116.63 1jyn s VAL 387 Ca -0.05 -0.24 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 1jyn s VAL 387 Cb -0.01 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1jyn s VAL 387 CO -0.01 -0.13 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.01 1jyn s ARG 388 N -0.40 3.69 -1.14 1.54 3.52 -0.05 -1.31 118.95 124.81 1jyn s ARG 388 Ca -0.05 -0.50 -0.18 0.00 -0.13 0.00 0.00 55.73 54.87 1jyn s ARG 388 Cb -0.03 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1jyn s ARG 388 CO 0.00 0.18 2.06 0.00 -0.81 0.00 0.00 175.30 176.73 1jyn s SER 390 N 4.19 6.88 -0.41 0.00 1.04 -1.25 -0.96 113.70 123.18 1jyn s SER 390 Ca 0.53 1.65 0.09 0.00 0.48 0.00 0.00 55.95 58.70 1jyn s SER 390 Cb 0.13 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 64.01 1jyn s SER 390 CO 0.02 -0.82 0.66 1.41 0.98 0.00 0.00 173.24 175.49 1jyn n HIS 391 N 6.82 0.51 -3.61 5.02 -0.00 -1.26 -4.18 115.22 118.52 1jyn n HIS 391 Ca 0.14 -3.75 -0.02 0.00 -0.00 0.00 0.00 57.72 54.09 1jyn n HIS 391 Cb 0.45 -0.41 -0.01 0.00 -0.00 0.00 0.00 29.99 30.02 1jyn n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1jyn s TYR 392 N -2.01 -0.11 0.45 4.41 -0.85 -0.14 -4.25 117.35 114.85 1jyn s TYR 392 Ca 0.39 0.02 -0.24 0.00 -0.52 0.00 0.00 57.07 56.72 1jyn s TYR 392 Cb 0.26 0.53 -0.07 0.00 0.38 0.00 0.00 41.96 43.06 1jyn s TYR 392 CO -0.09 -0.27 1.23 -2.14 -1.52 0.00 0.00 175.55 172.76 1jyn s PRO 393 N -2.49 3.77 0.68 -3.49 0.02 -0.91 -4.57 135.00 128.00 1jyn s PRO 393 Ca 0.11 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.12 1jyn s PRO 393 Cb 0.01 -2.52 0.12 0.00 0.02 0.00 0.00 34.50 32.13 1jyn s PRO 393 CO -0.04 -0.59 0.93 -0.80 -0.33 0.00 0.00 177.00 176.16 1jyn s ASN 394 N -1.09 4.57 0.34 2.53 0.02 -1.26 -4.85 114.94 115.20 1jyn s ASN 394 Ca 0.62 -0.60 -0.29 0.00 -1.02 0.00 0.00 52.86 51.57 1jyn s ASN 394 Cb -0.33 0.20 -0.11 0.00 0.02 0.00 0.00 41.25 41.03 1jyn s ASN 394 CO 0.41 -1.72 1.54 -2.28 0.02 0.00 0.00 177.10 175.07 1jyn s HIS 395 N -2.98 2.65 0.50 2.20 5.65 -1.26 -4.85 115.29 117.19 1jyn s HIS 395 Ca 0.65 0.98 0.24 0.00 0.25 0.00 0.00 55.06 57.18 1jyn s HIS 395 Cb -0.05 -4.06 1.31 0.00 -1.18 0.00 0.00 32.58 28.60 1jyn s HIS 395 CO 0.43 -3.31 1.94 -1.00 -0.65 0.00 0.00 174.74 172.15 1jyn h PRO 396 N 3.83 0.13 0.00 2.88 0.13 -1.96 -1.11 132.00 135.90 1jyn h PRO 396 Ca -0.49 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1jyn h PRO 396 Cb 1.23 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jyn h PRO 396 CO 0.71 0.09 -0.10 1.25 -0.23 0.00 0.00 178.00 179.72 1jyn h LEU 397 N 0.13 0.00 -0.76 1.56 5.85 -2.01 -2.80 115.31 117.29 1jyn h LEU 397 Ca 0.34 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 1jyn h LEU 397 Cb 1.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1jyn h LEU 397 CO -0.05 0.10 0.46 -0.25 -0.34 0.00 0.00 178.44 178.36 1jyn h TRP 398 N 0.00 1.00 -0.47 1.25 2.91 -1.55 -1.12 115.95 117.97 1jyn h TRP 398 Ca -0.00 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 1jyn h TRP 398 Cb 0.48 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 1jyn h TRP 398 CO 0.00 0.67 0.07 1.88 -1.03 0.00 0.00 178.44 180.03 1jyn h TYR 399 N 1.04 0.84 -0.85 2.65 -1.99 -1.66 -0.48 116.97 116.52 1jyn h TYR 399 Ca 0.27 -0.12 0.04 0.00 2.00 0.00 0.00 58.73 60.92 1jyn h TYR 399 Cb -0.04 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.41 1jyn h TYR 399 CO -0.01 0.78 0.55 1.15 -0.00 0.00 0.00 178.16 180.63 1jyn h THR 400 N 0.66 1.13 -0.45 -2.88 2.02 -1.50 0.57 112.91 112.45 1jyn h THR 400 Ca 0.14 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1jyn h THR 400 Cb 0.39 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1jyn h THR 400 CO 0.01 0.19 0.14 -0.07 0.37 0.00 0.00 175.52 176.16 1jyn h LEU 401 N 1.06 0.65 -0.90 2.58 3.38 -0.82 -1.54 115.31 119.73 1jyn h LEU 401 Ca 0.34 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1jyn h LEU 401 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jyn h LEU 401 CO -0.12 0.69 0.02 0.00 0.09 0.00 0.00 178.44 179.12 1jyn h ASP 403 N 0.77 0.37 0.55 0.00 3.32 -0.57 -0.17 116.42 120.70 1jyn h ASP 403 Ca 0.15 -0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.91 1jyn h ASP 403 Cb 0.44 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1jyn h ASP 403 CO 0.02 0.27 -1.32 0.03 -1.72 0.00 0.00 179.24 176.52 1jyn h ARG 404 N 0.46 0.31 0.01 3.56 3.08 -0.86 -3.32 114.38 117.62 1jyn h ARG 404 Ca 0.14 -0.53 -0.23 0.00 0.07 0.00 0.00 59.98 59.42 1jyn h ARG 404 Cb -0.02 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1jyn h ARG 404 CO -0.05 1.24 -1.19 1.88 -1.07 0.00 0.00 179.97 180.78 1jyn h TYR 405 N 0.09 0.03 -0.92 3.04 0.05 -0.88 -3.46 116.97 114.92 1jyn h TYR 405 Ca -0.17 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1jyn h TYR 405 Cb 2.01 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.75 1jyn h TYR 405 CO 0.07 1.02 0.00 0.41 -1.05 0.00 0.00 178.16 178.62 1jyn n GLY 406 N 1.42 -0.94 3.05 3.88 0.00 -0.15 -4.78 105.19 107.68 1jyn n GLY 406 Ca -0.05 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1jyn n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 407 N -0.02 1.38 0.14 0.99 1.43 -0.78 -4.66 118.68 117.16 1jyn s LEU 407 Ca 0.00 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 1jyn s LEU 407 Cb 0.00 0.59 -0.07 0.00 0.03 0.00 0.00 46.19 46.74 1jyn s LEU 407 CO 0.00 -0.09 1.01 -0.31 0.23 0.00 0.00 176.35 177.18 1jyn s TYR 408 N -0.08 3.75 -0.00 0.29 2.02 -0.15 -4.72 117.35 118.45 1jyn s TYR 408 Ca -0.02 1.74 0.08 0.00 -0.37 0.00 0.00 57.07 58.50 1jyn s TYR 408 Cb -0.02 -3.12 -0.02 0.00 -0.40 0.00 0.00 41.96 38.40 1jyn s TYR 408 CO 0.00 -0.05 -0.24 0.08 -1.57 0.00 0.00 175.55 173.78 1jyn s VAL 409 N -0.12 1.88 -0.42 0.71 1.01 0.77 -0.41 120.40 123.82 1jyn s VAL 409 Ca 0.48 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1jyn s VAL 409 Cb -0.25 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.58 1jyn s VAL 409 CO 0.31 0.47 0.30 -0.69 0.00 0.00 0.00 175.10 175.49 1jyn s VAL 410 N -0.62 5.09 -0.18 2.92 1.01 -0.42 -1.26 120.40 126.95 1jyn s VAL 410 Ca 0.09 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1jyn s VAL 410 Cb -0.09 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1jyn s VAL 410 CO -0.00 -0.35 0.46 -0.62 0.00 0.00 0.00 175.10 174.58 1jyn s ASP 411 N 1.84 6.55 -0.07 3.32 2.15 -0.91 -1.15 116.67 128.40 1jyn s ASP 411 Ca 0.04 0.66 0.04 0.00 0.43 0.00 0.00 52.55 53.71 1jyn s ASP 411 Cb -0.20 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1jyn s ASP 411 CO 0.08 -0.08 -0.17 -0.70 -0.17 0.00 0.00 175.17 174.13 1jyn s GLU 412 N 1.19 2.12 0.57 4.34 2.12 -1.26 -0.26 118.70 127.51 1jyn s GLU 412 Ca 0.23 -0.62 -0.20 0.00 0.36 0.00 0.00 54.97 54.73 1jyn s GLU 412 Cb -0.15 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.48 1jyn s GLU 412 CO 0.09 0.15 1.27 0.00 -0.54 0.00 0.00 175.26 176.24 1jyn s ALA 413 N 0.34 2.66 -1.39 6.30 0.00 -0.30 -2.15 121.76 127.22 1jyn s ALA 413 Ca -0.12 1.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1jyn s ALA 413 Cb -0.15 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.54 1jyn s ALA 413 CO 0.05 -1.27 2.06 -1.71 0.00 0.00 0.00 175.76 174.89 1jyn n ASN 414 N -1.32 4.31 -3.71 0.00 5.15 -1.26 -4.04 115.26 114.39 1jyn n ASN 414 Ca 0.12 -2.91 -0.28 0.00 -0.60 0.00 0.00 54.58 50.92 1jyn n ASN 414 Cb 0.47 -1.64 -0.16 0.00 -0.53 0.00 0.00 39.78 37.92 1jyn n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1jyn s ILE 415 N 2.81 0.48 -0.09 -1.44 1.01 -1.25 -4.76 121.20 117.96 1jyn s ILE 415 Ca 0.47 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 1jyn s ILE 415 Cb 0.11 -1.09 0.05 0.00 0.01 0.00 0.00 42.46 41.53 1jyn s ILE 415 CO -0.04 -0.34 0.18 -0.70 0.00 0.00 0.00 174.94 174.04 1jyn s GLU 416 N 1.86 0.06 -0.31 2.79 2.12 -0.22 -1.22 118.70 123.78 1jyn s GLU 416 Ca 0.02 0.59 0.09 0.00 0.36 0.00 0.00 54.97 56.03 1jyn s GLU 416 Cb -0.17 -0.22 0.46 0.00 0.26 0.00 0.00 34.13 34.46 1jyn s GLU 416 CO -0.13 -0.30 1.16 0.25 -0.54 0.00 0.00 175.26 175.70 1jyn n THR 417 N 5.28 2.31 -0.33 -1.70 -2.24 -1.03 -1.33 114.28 115.24 1jyn n THR 417 Ca -0.06 -4.15 0.18 0.00 -2.27 0.00 0.00 64.05 57.75 1jyn n THR 417 Cb 0.50 -0.82 0.41 0.00 -2.10 0.00 0.00 70.33 68.32 1jyn n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1jyn h HIS 418 N 2.32 0.88 0.00 4.78 6.17 -1.43 -2.23 115.15 125.63 1jyn h HIS 418 Ca 0.29 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.40 1jyn h HIS 418 Cb 1.40 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 31.07 1jyn h HIS 418 CO 0.79 0.13 0.00 0.41 0.71 0.00 0.00 177.93 179.97 1jyn n GLY 419 N -1.39 -0.95 3.78 5.26 0.00 -1.18 -4.79 105.19 105.91 1jyn n GLY 419 Ca 0.24 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1jyn n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jyn s MET 420 N -2.35 2.30 -0.12 1.61 -1.94 -0.84 -4.76 119.30 113.21 1jyn s MET 420 Ca 0.28 1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 55.34 1jyn s MET 420 Cb 0.16 -1.91 0.03 0.00 2.01 0.00 0.00 34.83 35.13 1jyn s MET 420 CO 0.33 -1.59 -0.05 0.08 -0.01 0.00 0.00 175.02 173.79 1jyn s VAL 421 N -2.94 0.86 1.06 -6.03 1.01 -1.26 -3.39 120.40 109.71 1jyn s VAL 421 Ca 0.61 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1jyn s VAL 421 Cb -0.17 -0.98 0.22 0.00 0.00 0.00 0.00 36.38 35.45 1jyn s VAL 421 CO 0.56 0.25 1.11 -2.16 0.00 0.00 0.00 175.10 174.86 1jyn s PRO 422 N 1.76 -0.06 0.53 2.72 0.04 -1.26 -4.80 135.00 133.94 1jyn s PRO 422 Ca 0.04 0.26 0.20 0.00 0.04 0.00 0.00 61.00 61.54 1jyn s PRO 422 Cb -0.13 -1.70 1.37 0.00 0.04 0.00 0.00 34.50 34.07 1jyn s PRO 422 CO -0.07 -3.00 2.11 1.98 0.04 0.00 0.00 177.00 178.06 1jyn h MET 423 N -2.08 0.00 -0.65 4.56 4.05 -1.86 -1.67 114.93 117.27 1jyn h MET 423 Ca -0.51 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1jyn h MET 423 Cb 1.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1jyn h MET 423 CO 0.50 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.91 1jyn n ASN 424 N -4.40 3.26 -0.26 1.39 6.94 -1.26 -3.94 115.26 117.00 1jyn n ASN 424 Ca 0.01 -2.36 0.09 0.00 -0.02 0.00 0.00 54.58 52.29 1jyn n ASN 424 Cb 0.24 -0.50 0.33 0.00 -2.36 0.00 0.00 39.78 37.49 1jyn n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1jyn h ARG 425 N 2.36 0.78 0.14 -3.83 2.43 -1.61 0.85 114.38 115.50 1jyn h ARG 425 Ca 0.00 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.78 1jyn h ARG 425 Cb 1.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1jyn h ARG 425 CO 0.19 0.51 -1.81 -0.07 -1.51 0.00 0.00 179.97 177.29 1jyn h LEU 426 N 0.80 0.47 -0.24 3.80 3.38 -1.85 -3.34 115.31 118.32 1jyn h LEU 426 Ca 0.41 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1jyn h LEU 426 Cb 0.48 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jyn h LEU 426 CO -0.17 1.71 0.00 0.35 0.09 0.00 0.00 178.44 180.42 1jyn n THR 427 N -3.49 0.68 0.81 0.22 -2.24 -0.91 -1.51 114.28 107.84 1jyn n THR 427 Ca -0.26 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1jyn n THR 427 Cb 1.06 -0.88 0.23 0.00 -2.10 0.00 0.00 70.33 68.64 1jyn n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jyn n ASP 428 N -1.92 2.83 -4.53 3.42 2.03 0.25 -1.70 116.55 116.93 1jyn n ASP 428 Ca 0.04 -1.90 -0.41 0.00 0.52 0.00 0.00 54.79 53.04 1jyn n ASP 428 Cb 0.28 -0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 1jyn n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jyn s ASP 429 N -1.73 6.14 0.61 1.67 -1.08 -0.57 -4.60 116.67 117.12 1jyn s ASP 429 Ca 0.34 -0.33 0.37 0.00 -0.52 0.00 0.00 52.55 52.41 1jyn s ASP 429 Cb 0.21 -2.18 1.99 0.00 -1.46 0.00 0.00 42.92 41.48 1jyn s ASP 429 CO 0.31 -0.32 2.25 1.55 0.52 0.00 0.00 175.17 179.47 1jyn h PRO 430 N 8.49 0.00 0.00 4.34 0.13 -1.91 0.58 132.00 143.63 1jyn h PRO 430 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1jyn h PRO 430 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jyn h PRO 430 CO 0.68 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 179.01 1jyn n ARG 431 N -3.36 0.14 0.00 0.86 1.74 -1.26 -1.26 116.66 113.52 1jyn n ARG 431 Ca -0.02 0.40 0.11 0.00 -0.77 0.00 0.00 57.85 57.56 1jyn n ARG 431 Cb 0.13 -1.78 0.05 0.00 -1.02 0.00 0.00 32.46 29.85 1jyn n ARG 431 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1jyn n TRP 432 N -2.04 0.00 -0.26 -1.55 7.02 0.19 -4.51 117.44 116.28 1jyn n TRP 432 Ca 0.02 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.45 1jyn n TRP 432 Cb 0.20 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.14 1jyn n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1jyn h LEU 433 N 3.62 0.88 0.05 -0.99 5.85 -1.12 -1.59 115.31 122.00 1jyn h LEU 433 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1jyn h LEU 433 Cb 0.86 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1jyn h LEU 433 CO 0.00 0.70 -0.32 -0.65 -0.34 0.00 0.00 178.44 177.82 1jyn h PRO 434 N 0.98 -0.49 -0.83 5.25 0.11 -1.79 1.10 132.00 136.33 1jyn h PRO 434 Ca 0.26 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.44 1jyn h PRO 434 Cb -0.01 0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.16 1jyn h PRO 434 CO -0.05 -0.33 0.52 0.00 -0.21 0.00 0.00 178.00 177.94 1jyn h ALA 435 N 0.18 1.11 -0.35 -0.75 0.00 -1.74 -1.86 119.26 115.84 1jyn h ALA 435 Ca 0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1jyn h ALA 435 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jyn h ALA 435 CO -0.23 0.32 -0.41 0.52 0.00 0.00 0.00 179.25 179.44 1jyn h MET 436 N 1.00 0.88 -0.78 0.00 2.86 -0.70 -2.89 114.93 115.29 1jyn h MET 436 Ca 0.34 -0.48 0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1jyn h MET 436 Cb 0.07 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.67 1jyn h MET 436 CO -0.14 1.12 0.41 0.66 1.06 0.00 0.00 176.91 180.02 1jyn h SER 437 N 0.71 0.53 0.59 1.22 4.64 0.20 -0.83 113.55 120.61 1jyn h SER 437 Ca 0.05 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1jyn h SER 437 Cb 1.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1jyn h SER 437 CO 0.10 0.28 -0.26 -0.33 -0.87 0.00 0.00 176.83 175.75 1jyn h GLU 438 N 0.65 0.00 -0.16 4.77 5.08 -1.18 0.59 114.58 124.33 1jyn h GLU 438 Ca 0.40 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1jyn h GLU 438 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1jyn h GLU 438 CO -0.30 0.26 -0.40 0.00 -1.00 0.00 0.00 179.01 177.57 1jyn h ARG 439 N 0.00 0.36 0.01 2.33 3.08 -0.99 -2.04 114.38 117.13 1jyn h ARG 439 Ca -0.00 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 1jyn h ARG 439 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1jyn h ARG 439 CO 0.03 0.70 -0.48 0.28 -1.07 0.00 0.00 179.97 179.44 1jyn h VAL 440 N 0.30 1.49 -0.73 2.04 2.07 -0.86 -3.33 116.25 117.23 1jyn h VAL 440 Ca 0.03 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 1jyn h VAL 440 Cb 0.84 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 1jyn h VAL 440 CO 0.07 0.54 0.42 0.71 0.02 0.00 0.00 177.57 179.32 1jyn h THR 441 N -0.93 1.22 0.00 2.57 1.35 0.11 -2.47 112.91 114.75 1jyn h THR 441 Ca -0.12 -0.51 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 1jyn h THR 441 Cb 1.16 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1jyn h THR 441 CO -0.05 0.23 -0.26 0.03 -0.25 0.00 0.00 175.52 175.22 1jyn h ARG 442 N 1.00 0.00 -0.11 4.72 3.08 -1.56 -1.05 114.38 120.45 1jyn h ARG 442 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 1jyn h ARG 442 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1jyn h ARG 442 CO -0.05 0.26 -0.24 1.98 -1.07 0.00 0.00 179.97 180.86 1jyn h MET 443 N 0.00 0.36 -0.68 0.04 4.05 -1.56 -2.38 114.93 114.76 1jyn h MET 443 Ca -0.00 -0.24 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 1jyn h MET 443 Cb 0.61 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 1jyn h MET 443 CO 0.03 0.84 0.17 0.28 0.23 0.00 0.00 176.91 178.46 1jyn h VAL 444 N -0.06 1.26 -0.44 -5.77 2.07 -1.18 -0.71 116.25 111.41 1jyn h VAL 444 Ca 0.00 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1jyn h VAL 444 Cb 0.83 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1jyn h VAL 444 CO 0.05 0.36 0.16 1.56 0.02 0.00 0.00 177.57 179.72 1jyn h GLN 445 N 1.03 0.63 0.17 1.57 4.20 -1.16 -1.95 115.11 119.60 1jyn h GLN 445 Ca 0.22 -0.09 -0.27 0.00 0.06 0.00 0.00 58.65 58.56 1jyn h GLN 445 Cb 0.35 -0.11 0.03 0.00 0.30 0.00 0.00 27.48 28.05 1jyn h GLN 445 CO 0.00 0.54 -1.18 -0.09 -0.67 0.00 0.00 178.83 177.44 1jyn h ARG 446 N 0.63 0.49 -0.02 1.46 2.43 -0.87 -3.16 114.38 115.34 1jyn h ARG 446 Ca 0.15 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 1jyn h ARG 446 Cb 0.16 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1jyn h ARG 446 CO -0.01 1.35 -0.34 -0.25 -1.51 0.00 0.00 179.97 179.21 1jyn n ASP 447 N -3.89 1.98 0.14 -3.80 8.00 -0.33 -4.27 116.55 114.39 1jyn n ASP 447 Ca -0.15 -1.49 0.10 0.00 0.71 0.00 0.00 54.79 53.96 1jyn n ASP 447 Cb 0.97 0.39 0.52 0.00 -0.02 0.00 0.00 41.12 42.98 1jyn n ASP 447 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jyn n ARG 448 N 0.14 0.13 -0.03 -1.24 1.85 -0.75 -1.71 116.66 115.06 1jyn n ARG 448 Ca 0.09 0.59 0.13 0.00 -1.00 0.00 0.00 57.85 57.65 1jyn n ARG 448 Cb 0.42 -1.90 0.31 0.00 -1.05 0.00 0.00 32.46 30.24 1jyn n ARG 448 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1jyn n ASN 449 N -2.18 2.33 -4.66 2.89 3.02 -1.26 -4.84 115.26 110.56 1jyn n ASN 449 Ca -0.01 -1.78 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 1jyn n ASN 449 Cb 0.06 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 1jyn n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1jyn s HIS 450 N -1.92 3.38 0.39 3.10 3.76 -0.69 -4.86 115.29 118.45 1jyn s HIS 450 Ca 0.33 1.14 0.17 0.00 -0.15 0.00 0.00 55.06 56.55 1jyn s HIS 450 Cb 0.20 -2.96 0.96 0.00 1.11 0.00 0.00 32.58 31.90 1jyn s HIS 450 CO 0.31 -0.25 1.93 -1.00 -0.85 0.00 0.00 174.74 174.87 1jyn h PRO 451 N 7.45 0.00 0.00 8.40 0.13 -1.87 -2.66 132.00 143.44 1jyn h PRO 451 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1jyn h PRO 451 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jyn h PRO 451 CO 0.83 0.26 -0.12 0.66 -0.23 0.00 0.00 178.00 179.40 1jyn h SER 452 N 0.00 0.00 -2.88 1.44 4.64 -1.87 -3.39 113.55 111.48 1jyn h SER 452 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1jyn h SER 452 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1jyn h SER 452 CO 0.03 0.12 0.94 -0.69 -0.87 0.00 0.00 176.83 176.35 1jyn s VAL 453 N -4.76 4.17 -0.09 0.95 1.01 -1.01 -0.17 120.40 120.51 1jyn s VAL 453 Ca -0.04 1.41 0.11 0.00 0.00 0.00 0.00 61.98 63.46 1jyn s VAL 453 Cb 0.16 -3.93 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 1jyn s VAL 453 CO 0.68 -0.15 0.28 2.30 0.00 0.00 0.00 175.10 178.21 1jyn n ILE 454 N 5.46 0.00 -3.83 2.22 -5.35 -0.39 -4.90 119.36 112.58 1jyn n ILE 454 Ca 0.14 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.24 1jyn n ILE 454 Cb 0.45 0.36 -0.13 0.00 -1.74 0.00 0.00 39.64 38.57 1jyn n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jyn s ILE 455 N -2.67 -0.01 -0.02 7.28 1.01 -1.21 -3.94 121.20 121.64 1jyn s ILE 455 Ca -0.03 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 1jyn s ILE 455 Cb 0.07 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.35 1jyn s ILE 455 CO 0.47 0.01 0.24 0.26 0.00 0.00 0.00 174.94 175.92 1jyn s TRP 456 N 0.18 3.59 -0.03 3.97 0.23 -0.46 -2.13 118.94 124.29 1jyn s TRP 456 Ca -0.01 0.58 0.08 0.00 -2.03 0.00 0.00 56.10 54.71 1jyn s TRP 456 Cb -0.02 -1.99 -0.02 0.00 0.03 0.00 0.00 33.47 31.47 1jyn s TRP 456 CO -0.00 0.65 -0.26 0.45 0.96 0.00 0.00 176.95 178.75 1jyn s SER 457 N -1.52 3.06 0.00 2.95 0.15 0.64 -0.98 113.70 118.01 1jyn s SER 457 Ca 0.24 -0.47 0.15 0.00 0.70 0.00 0.00 55.95 56.57 1jyn s SER 457 Cb -0.13 -0.41 0.89 0.00 -1.71 0.00 0.00 66.02 64.66 1jyn s SER 457 CO 0.13 0.31 1.39 0.18 1.20 0.00 0.00 173.24 176.46 1jyn n LEU 458 N 2.51 0.00 0.00 3.45 4.77 -1.04 -1.14 117.00 125.55 1jyn n LEU 458 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1jyn n LEU 458 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1jyn n LEU 458 CO 0.23 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1jyn n GLY 459 N 0.39 0.55 3.32 -0.72 0.00 -1.26 -4.65 105.19 102.82 1jyn n GLY 459 Ca 0.11 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 1jyn n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jyn s ASN 460 N -4.00 -0.39 -0.91 1.61 2.47 -0.36 -4.72 114.94 108.64 1jyn s ASN 460 Ca 0.00 0.61 -0.20 0.00 0.42 0.00 0.00 52.86 53.69 1jyn s ASN 460 Cb 0.00 0.67 0.03 0.00 -1.45 0.00 0.00 41.25 40.50 1jyn s ASN 460 CO 0.00 -0.29 0.54 -0.62 -3.72 0.00 0.00 177.10 173.01 1jyn n GLU 461 N 2.16 -0.64 -1.13 0.43 1.02 -1.26 -3.97 120.64 117.25 1jyn n GLU 461 Ca -0.16 0.16 0.05 0.00 -0.02 0.00 0.00 57.16 57.18 1jyn n GLU 461 Cb 0.57 -1.84 0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1jyn n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1jyn n SER 462 N -1.75 1.28 0.00 1.62 7.64 -1.26 -1.28 113.62 119.87 1jyn n SER 462 Ca -0.15 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1jyn n SER 462 Cb 0.50 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1jyn n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jyn n GLY 463 N -0.16 0.98 2.92 0.23 0.00 -1.25 -3.99 105.19 103.92 1jyn n GLY 463 Ca 0.11 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1jyn n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jyn s HIS 464 N 0.00 1.67 0.26 1.61 2.46 -1.26 -3.47 115.29 116.56 1jyn s HIS 464 Ca 0.00 -0.94 0.06 0.00 0.47 0.00 0.00 55.06 54.65 1jyn s HIS 464 Cb 0.00 -1.32 -0.06 0.00 -0.13 0.00 0.00 32.58 31.07 1jyn s HIS 464 CO 0.00 -0.57 -0.04 0.20 -2.47 0.00 0.00 174.74 171.85 1jyn s GLY 465 N 1.65 1.73 0.55 1.59 0.00 -1.26 -4.84 107.32 106.73 1jyn s GLY 465 Ca 0.03 -1.85 0.22 0.00 0.00 0.00 0.00 44.72 43.12 1jyn s GLY 465 CO -0.08 -1.78 2.19 0.00 0.00 0.00 0.00 173.10 173.42 1jyn h ALA 466 N 2.35 1.80 -0.83 3.20 0.00 -1.80 0.70 119.26 124.67 1jyn h ALA 466 Ca -0.39 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.62 1jyn h ALA 466 Cb 1.23 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1jyn h ALA 466 CO 0.66 0.01 0.54 -0.91 0.00 0.00 0.00 179.25 179.55 1jyn h ASN 467 N 0.00 0.67 -0.37 0.00 2.35 -1.63 -1.31 115.58 115.28 1jyn h ASN 467 Ca -0.00 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1jyn h ASN 467 Cb 0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1jyn h ASN 467 CO 0.00 0.38 0.14 0.45 -1.65 0.00 0.00 177.43 176.76 1jyn h HIS 468 N 0.74 0.57 -0.64 1.19 3.86 -1.03 -1.88 115.15 117.95 1jyn h HIS 468 Ca 0.39 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.57 1jyn h HIS 468 Cb 0.52 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1jyn h HIS 468 CO -0.00 0.52 0.43 -0.44 0.86 0.00 0.00 177.93 179.29 1jyn h ASP 469 N 0.45 0.74 -0.72 2.45 3.32 -1.25 0.40 116.42 121.81 1jyn h ASP 469 Ca 0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1jyn h ASP 469 Cb 0.20 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1jyn h ASP 469 CO -0.01 0.53 0.43 0.00 -1.72 0.00 0.00 179.24 178.47 1jyn h ALA 470 N 1.24 0.92 -0.03 3.45 0.00 -1.16 -2.05 119.26 121.61 1jyn h ALA 470 Ca 0.24 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1jyn h ALA 470 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1jyn h ALA 470 CO -0.05 0.40 -0.78 -0.07 0.00 0.00 0.00 179.25 178.74 1jyn h LEU 471 N 0.98 0.34 -0.52 0.00 3.38 -0.86 -1.10 115.31 117.53 1jyn h LEU 471 Ca 0.26 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jyn h LEU 471 Cb -0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1jyn h LEU 471 CO -0.05 1.00 0.33 0.22 0.09 0.00 0.00 178.44 180.03 1jyn h TYR 472 N 0.18 0.62 -0.43 1.13 3.20 0.06 -1.34 116.97 120.38 1jyn h TYR 472 Ca -0.04 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1jyn h TYR 472 Cb 1.37 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1jyn h TYR 472 CO 0.03 0.37 -0.14 -0.09 -1.64 0.00 0.00 178.16 176.70 1jyn h ARG 473 N 0.66 0.80 -0.32 1.82 9.65 -1.20 -1.36 114.38 124.44 1jyn h ARG 473 Ca 0.20 -0.28 0.04 0.00 -1.10 0.00 0.00 59.98 58.83 1jyn h ARG 473 Cb -0.03 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 1jyn h ARG 473 CO -0.07 0.90 0.09 2.35 2.80 0.00 0.00 179.97 186.04 1jyn h TRP 474 N 0.72 0.16 -0.33 2.20 7.01 -0.69 -0.83 115.95 124.19 1jyn h TRP 474 Ca 0.12 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1jyn h TRP 474 Cb 0.64 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1jyn h TRP 474 CO 0.03 0.06 0.13 0.82 -2.79 0.00 0.00 178.44 176.69 1jyn h ILE 475 N 0.22 1.19 -0.76 2.65 2.04 -0.84 0.15 117.51 122.16 1jyn h ILE 475 Ca 0.15 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 65.55 1jyn h ILE 475 Cb 0.13 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1jyn h ILE 475 CO -0.16 0.21 0.50 0.11 0.00 0.00 0.00 178.15 178.80 1jyn h LYS 476 N 0.39 0.50 0.00 2.37 1.79 -0.97 0.12 116.57 120.77 1jyn h LYS 476 Ca 0.11 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.40 1jyn h LYS 476 Cb 0.20 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1jyn h LYS 476 CO -0.01 0.33 -0.57 1.03 -1.08 0.00 0.00 179.45 179.15 1jyn h SER 477 N 0.51 0.50 1.49 0.86 0.87 -0.42 -3.29 113.55 114.08 1jyn h SER 477 Ca 0.37 -0.76 -0.06 0.00 -1.23 0.00 0.00 61.79 60.10 1jyn h SER 477 Cb 0.71 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1jyn h SER 477 CO -0.13 1.20 -0.52 -0.37 -0.53 0.00 0.00 176.83 176.48 1jyn h VAL 478 N -0.15 0.37 -2.34 2.23 -1.51 -0.50 -3.41 116.25 110.95 1jyn h VAL 478 Ca -0.07 -1.56 -0.54 0.00 -1.23 0.00 0.00 66.70 63.30 1jyn h VAL 478 Cb 1.29 2.08 -0.37 0.00 -2.13 0.00 0.00 31.29 32.16 1jyn h VAL 478 CO 0.11 0.21 -0.87 -0.62 -1.23 0.00 0.00 177.57 175.18 1jyn s ASP 479 N -6.11 1.87 0.00 4.19 2.15 0.39 -4.96 116.67 114.20 1jyn s ASP 479 Ca 0.03 -2.47 0.23 0.00 0.43 0.00 0.00 52.55 50.77 1jyn s ASP 479 Cb 0.07 -0.19 1.12 0.00 -0.30 0.00 0.00 42.92 43.62 1jyn s ASP 479 CO 0.73 -0.23 1.74 -2.65 -0.17 0.00 0.00 175.17 174.59 1jyn n PRO 480 N 3.51 0.27 0.06 4.34 -0.02 -1.24 -3.25 135.00 138.68 1jyn n PRO 480 Ca 0.20 0.08 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1jyn n PRO 480 Cb 0.44 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.85 1jyn n PRO 480 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jyn n SER 481 N -1.32 0.35 -3.93 2.55 3.41 -1.26 -4.76 113.62 108.66 1jyn n SER 481 Ca 0.10 0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1jyn n SER 481 Cb 0.19 -0.65 -0.13 0.00 -0.26 0.00 0.00 64.21 63.37 1jyn n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jyn s ARG 482 N -3.13 0.19 0.69 4.33 0.52 -1.20 -4.21 118.95 116.14 1jyn s ARG 482 Ca 0.07 -0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 54.85 1jyn s ARG 482 Cb 0.11 -0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.56 1jyn s ARG 482 CO 0.39 0.00 1.15 -2.14 0.02 0.00 0.00 175.30 174.72 1jyn s PRO 483 N -0.61 2.54 -0.13 3.54 0.02 -1.25 -4.75 135.00 134.36 1jyn s PRO 483 Ca -0.06 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1jyn s PRO 483 Cb -0.04 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1jyn s PRO 483 CO -0.00 -1.48 -0.14 0.08 -0.33 0.00 0.00 177.00 175.12 1jyn s VAL 484 N -2.18 2.98 0.22 3.83 1.01 -1.26 -1.36 120.40 123.63 1jyn s VAL 484 Ca 0.70 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1jyn s VAL 484 Cb -0.24 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1jyn s VAL 484 CO 0.43 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.96 1jyn s GLN 485 N 0.33 1.34 -0.29 2.72 -2.07 -0.15 0.49 119.66 122.02 1jyn s GLN 485 Ca -0.11 -1.63 -0.17 0.00 -1.82 0.00 0.00 55.36 51.63 1jyn s GLN 485 Cb -0.16 -0.97 0.14 0.00 -1.09 0.00 0.00 33.01 30.93 1jyn s GLN 485 CO 0.06 0.09 0.99 -0.47 -1.32 0.00 0.00 175.29 174.64 1jyn s TYR 486 N -3.11 -0.55 -0.33 9.60 5.04 -1.26 -2.48 117.35 124.27 1jyn s TYR 486 Ca 0.24 1.12 0.23 0.00 -2.44 0.00 0.00 57.07 56.22 1jyn s TYR 486 Cb 0.02 0.34 -0.04 0.00 0.35 0.00 0.00 41.96 42.63 1jyn s TYR 486 CO 0.07 -0.27 0.94 -1.91 -1.34 0.00 0.00 175.55 173.04 1jyn n GLU 487 N 3.53 0.51 -1.45 4.97 0.00 -1.26 -4.66 120.64 122.28 1jyn n GLU 487 Ca -0.18 0.02 -0.36 0.00 0.00 0.00 0.00 57.16 56.63 1jyn n GLU 487 Cb 0.57 -1.69 0.07 0.00 0.00 0.00 0.00 31.44 30.40 1jyn n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jyn n GLY 488 N 1.26 -0.45 2.18 8.31 0.00 -1.26 -0.24 105.19 114.99 1jyn n GLY 488 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1jyn n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 489 N 1.19 0.84 0.00 -0.02 0.00 -1.23 -3.96 105.19 102.01 1jyn n GLY 489 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1jyn n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 490 N -2.16 1.15 3.76 -0.02 0.00 -1.22 -4.72 105.19 101.98 1jyn n GLY 490 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jyn n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jyn n ALA 491 N -0.05 0.00 -2.56 4.61 0.00 0.66 -4.70 120.51 118.47 1jyn n ALA 491 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1jyn n ALA 491 Cb 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 19.45 19.26 1jyn n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jyn n ASP 492 N 0.00 1.37 -2.82 0.00 5.75 -1.26 -1.94 116.55 117.65 1jyn n ASP 492 Ca 0.00 -2.17 -0.12 0.00 -0.01 0.00 0.00 54.79 52.49 1jyn n ASP 492 Cb 0.00 -0.38 0.09 0.00 -1.03 0.00 0.00 41.12 39.80 1jyn n ASP 492 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jyn n THR 493 N -0.02 0.00 1.35 2.12 -2.24 -1.26 -4.91 114.28 109.33 1jyn n THR 493 Ca 0.08 -0.37 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1jyn n THR 493 Cb 0.99 -1.66 0.47 0.00 -2.10 0.00 0.00 70.33 68.04 1jyn n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jyn n THR 494 N -2.91 0.00 -0.80 4.28 -2.24 -1.26 -2.95 114.28 108.40 1jyn n THR 494 Ca 0.07 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 1jyn n THR 494 Cb 0.24 -0.53 0.32 0.00 -2.10 0.00 0.00 70.33 68.26 1jyn n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyn n ALA 495 N -0.87 3.20 -3.50 6.98 0.00 -1.26 -4.95 120.51 120.12 1jyn n ALA 495 Ca 0.12 -1.92 -0.13 0.00 0.00 0.00 0.00 53.44 51.51 1jyn n ALA 495 Cb 0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 1jyn n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1jyn s THR 496 N -2.41 -0.03 -1.01 0.00 -1.32 -1.15 -4.12 115.64 105.60 1jyn s THR 496 Ca 0.46 0.11 0.26 0.00 -1.21 0.00 0.00 61.69 61.32 1jyn s THR 496 Cb 0.34 -0.27 0.09 0.00 -1.51 0.00 0.00 72.50 71.15 1jyn s THR 496 CO 0.15 0.05 1.60 0.47 -2.21 0.00 0.00 174.62 174.68 1jyn n ASP 497 N 3.79 0.32 -4.01 8.08 8.00 0.18 -4.83 116.55 128.09 1jyn n ASP 497 Ca -0.21 0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.09 1jyn n ASP 497 Cb 0.54 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.47 1jyn n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jyn s ILE 498 N -2.99 0.83 -0.29 0.53 1.01 -1.26 -4.57 121.20 114.45 1jyn s ILE 498 Ca 0.12 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1jyn s ILE 498 Cb 0.18 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 1jyn s ILE 498 CO 0.64 0.25 1.60 -0.63 0.00 0.00 0.00 174.94 176.80 1jyn s ILE 499 N 0.16 3.71 -0.49 2.92 1.01 -0.08 -4.69 121.20 123.75 1jyn s ILE 499 Ca -0.03 0.77 0.08 0.00 0.00 0.00 0.00 60.65 61.47 1jyn s ILE 499 Cb -0.08 -3.83 0.36 0.00 0.01 0.00 0.00 42.46 38.92 1jyn s ILE 499 CO 0.01 -0.43 0.90 0.00 0.00 0.00 0.00 174.94 175.41 1jyn s PRO 501 N -3.16 0.45 -0.14 0.00 0.04 -1.26 -3.35 135.00 127.59 1jyn s PRO 501 Ca 0.45 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1jyn s PRO 501 Cb 0.32 -1.68 -0.01 0.00 0.04 0.00 0.00 34.50 33.18 1jyn s PRO 501 CO -0.12 -2.95 -0.15 0.00 0.04 0.00 0.00 177.00 173.82 1jyn s MET 502 N -4.60 3.29 -1.81 4.56 0.23 -1.26 -0.87 119.30 118.85 1jyn s MET 502 Ca 0.67 -0.73 0.00 0.00 -1.03 0.00 0.00 55.69 54.60 1jyn s MET 502 Cb -0.23 -2.60 0.00 0.00 -1.53 0.00 0.00 34.83 30.47 1jyn s MET 502 CO 0.60 0.14 0.00 0.66 -2.03 0.00 0.00 175.02 174.39 1jyn n TYR 503 N 3.73 -0.19 -2.30 3.16 4.01 0.14 -4.96 117.16 120.75 1jyn n TYR 503 Ca -0.19 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.16 1jyn n TYR 503 Cb 0.52 -3.15 -0.03 0.00 -0.31 0.00 0.00 39.34 36.38 1jyn n TYR 503 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jyn s ALA 504 N -2.71 3.37 0.60 -0.72 0.00 -1.26 -4.90 121.76 116.13 1jyn s ALA 504 Ca 0.00 1.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.93 1jyn s ALA 504 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1jyn s ALA 504 CO 0.00 -0.43 0.92 1.03 0.00 0.00 0.00 175.76 177.28 1jyn s ARG 505 N -1.82 3.02 -0.06 0.00 0.52 -1.26 -4.79 118.95 114.56 1jyn s ARG 505 Ca 0.50 0.13 -0.21 0.00 -0.52 0.00 0.00 55.73 55.62 1jyn s ARG 505 Cb -0.34 -2.24 -0.16 0.00 0.52 0.00 0.00 34.95 32.73 1jyn s ARG 505 CO 0.44 -0.68 0.84 0.28 0.02 0.00 0.00 175.30 176.20 1jyn h VAL 506 N -0.21 0.90 0.00 3.52 2.07 -1.94 -0.37 116.25 120.22 1jyn h VAL 506 Ca -0.45 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1jyn h VAL 506 Cb 1.25 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1jyn h VAL 506 CO 0.61 0.24 -1.31 0.47 0.02 0.00 0.00 177.57 177.61 1jyn n ASP 507 N -4.89 2.71 -4.62 0.57 8.00 -1.26 -3.34 116.55 113.71 1jyn n ASP 507 Ca -0.08 -0.07 -0.39 0.00 0.71 0.00 0.00 54.79 54.96 1jyn n ASP 507 Cb 0.27 1.37 -0.08 0.00 -0.02 0.00 0.00 41.12 42.65 1jyn n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1jyn s GLU 508 N -2.54 4.07 0.46 -1.24 2.12 -1.26 -4.74 118.70 115.57 1jyn s GLU 508 Ca -0.03 0.21 -0.21 0.00 0.36 0.00 0.00 54.97 55.31 1jyn s GLU 508 Cb 0.06 -3.64 -0.10 0.00 0.26 0.00 0.00 34.13 30.72 1jyn s GLU 508 CO 0.37 -0.28 1.00 -0.51 -0.54 0.00 0.00 175.26 175.30 1jyn s ASP 509 N 1.50 6.59 -0.49 -1.70 1.01 -1.26 -3.75 116.67 118.56 1jyn s ASP 509 Ca 0.19 1.83 0.03 0.00 0.71 0.00 0.00 52.55 55.31 1jyn s ASP 509 Cb -0.16 -2.55 0.15 0.00 1.01 0.00 0.00 42.92 41.37 1jyn s ASP 509 CO 0.09 -0.61 0.31 -1.10 0.21 0.00 0.00 175.17 174.08 1jyn s GLN 510 N -3.21 1.46 -1.10 8.23 -0.21 0.08 -4.89 119.66 120.02 1jyn s GLN 510 Ca 0.65 -2.31 -0.08 0.00 0.02 0.00 0.00 55.36 53.65 1jyn s GLN 510 Cb -0.13 -2.38 -0.12 0.00 1.00 0.00 0.00 33.01 31.38 1jyn s GLN 510 CO 0.17 -1.23 2.84 -0.35 -2.12 0.00 0.00 175.29 174.60 1jyn n PRO 511 N 3.08 2.90 -1.68 2.91 -0.04 -1.26 -1.23 135.00 139.68 1jyn n PRO 511 Ca 0.15 -1.73 -0.40 0.00 -0.04 0.00 0.00 63.50 61.48 1jyn n PRO 511 Cb 0.37 -2.52 0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1jyn n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1jyn n PHE 512 N 3.48 1.79 -2.03 0.54 3.72 -1.26 -4.82 117.46 118.88 1jyn n PHE 512 Ca 0.62 0.48 -0.39 0.00 -0.05 0.00 0.00 57.45 58.11 1jyn n PHE 512 Cb 0.34 -2.31 0.01 0.00 -0.94 0.00 0.00 39.48 36.58 1jyn n PHE 512 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1jyn s PRO 513 N -2.42 3.71 0.00 -1.08 0.04 -1.26 -2.03 135.00 131.95 1jyn s PRO 513 Ca 0.66 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1jyn s PRO 513 Cb -0.48 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1jyn s PRO 513 CO 0.54 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.90 1jyn n ALA 514 N -0.31 0.00 -3.12 8.56 0.00 -1.26 -4.49 120.51 119.88 1jyn n ALA 514 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1jyn n ALA 514 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1jyn n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jyn n VAL 515 N 0.00 0.76 -1.39 0.00 0.24 -1.21 -4.83 118.33 111.90 1jyn n VAL 515 Ca 0.00 -4.86 -0.35 0.00 -2.04 0.00 0.00 64.34 57.09 1jyn n VAL 515 Cb 0.00 -0.67 0.10 0.00 -1.47 0.00 0.00 33.84 31.81 1jyn n VAL 515 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1jyn n PRO 516 N 0.18 0.61 -3.71 7.34 -0.04 -0.86 -4.59 135.00 133.92 1jyn n PRO 516 Ca 0.27 0.27 -0.37 0.00 -0.04 0.00 0.00 63.50 63.63 1jyn n PRO 516 Cb 0.58 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.46 1jyn n PRO 516 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jyn s LYS 517 N -3.78 2.56 0.67 0.54 1.02 -0.36 -4.87 119.74 115.51 1jyn s LYS 517 Ca 0.78 -2.47 -0.13 0.00 0.02 0.00 0.00 55.97 54.17 1jyn s LYS 517 Cb -0.33 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 1jyn s LYS 517 CO 0.46 -1.17 1.07 -1.58 -0.92 0.00 0.00 175.35 173.21 1jyn s TRP 518 N 0.05 2.93 0.32 3.18 0.52 -1.26 -0.74 118.94 123.93 1jyn s TRP 518 Ca 0.16 1.49 -0.27 0.00 0.02 0.00 0.00 56.10 57.50 1jyn s TRP 518 Cb -0.20 -2.98 -0.13 0.00 -1.15 0.00 0.00 33.47 29.00 1jyn s TRP 518 CO -0.04 -1.34 1.02 0.45 0.02 0.00 0.00 176.95 177.07 1jyn n SER 519 N -2.74 1.38 -0.07 2.95 2.88 -1.25 -4.40 113.62 112.36 1jyn n SER 519 Ca 0.08 1.16 0.01 0.00 -1.33 0.00 0.00 58.87 58.79 1jyn n SER 519 Cb 0.53 -1.31 0.31 0.00 -0.75 0.00 0.00 64.21 62.99 1jyn n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1jyn h ILE 520 N 1.95 1.17 -0.44 2.46 3.07 -1.06 0.14 117.51 124.80 1jyn h ILE 520 Ca -0.41 -0.48 -0.10 0.00 1.55 0.00 0.00 64.86 65.42 1jyn h ILE 520 Cb 1.34 0.55 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 1jyn h ILE 520 CO 0.60 0.20 -0.14 0.11 -1.05 0.00 0.00 178.15 177.86 1jyn h LYS 521 N 0.69 0.82 -0.07 0.16 1.57 -1.83 -2.83 116.57 115.08 1jyn h LYS 521 Ca 0.17 -0.30 -0.21 0.00 -1.87 0.00 0.00 60.65 58.45 1jyn h LYS 521 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jyn h LYS 521 CO -0.02 0.92 -0.81 -0.22 -0.57 0.00 0.00 179.45 178.75 1jyn h LYS 522 N 0.74 0.51 -0.63 3.15 3.64 -1.70 -3.28 116.57 119.00 1jyn h LYS 522 Ca 0.12 -0.45 0.06 0.00 -1.27 0.00 0.00 60.65 59.10 1jyn h LYS 522 Cb 0.65 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1jyn h LYS 522 CO 0.05 1.08 0.34 2.35 -2.27 0.00 0.00 179.45 181.00 1jyn h TRP 523 N 0.33 0.63 -0.81 1.91 2.91 -0.51 -2.25 115.95 118.17 1jyn h TRP 523 Ca -0.05 0.02 0.17 0.00 1.13 0.00 0.00 58.89 60.17 1jyn h TRP 523 Cb 1.41 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.82 1jyn h TRP 523 CO 0.06 0.30 0.54 -0.07 -1.03 0.00 0.00 178.44 178.24 1jyn h LEU 524 N 0.64 0.36 -3.11 0.65 3.38 -1.57 -2.76 115.31 112.91 1jyn h LEU 524 Ca 0.28 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1jyn h LEU 524 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1jyn h LEU 524 CO -0.18 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 176.98 1jyn n SER 525 N -4.48 4.29 -4.69 -0.43 3.41 -0.85 -4.55 113.62 106.33 1jyn n SER 525 Ca 0.16 -2.45 -0.33 0.00 -0.26 0.00 0.00 58.87 56.00 1jyn n SER 525 Cb 0.61 -0.51 0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1jyn n SER 525 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1jyn s LEU 526 N -1.83 3.05 0.17 1.04 1.43 -1.04 -4.77 118.68 116.72 1jyn s LEU 526 Ca 0.45 2.32 -0.34 0.00 -1.03 0.00 0.00 54.13 55.53 1jyn s LEU 526 Cb 0.29 -4.58 -0.14 0.00 0.03 0.00 0.00 46.19 41.79 1jyn s LEU 526 CO 0.21 -2.83 1.48 -2.65 0.23 0.00 0.00 176.35 172.79 1jyn n PRO 527 N -3.60 1.91 0.00 1.29 -0.02 -1.26 -1.03 135.00 132.29 1jyn n PRO 527 Ca 0.13 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1jyn n PRO 527 Cb 0.51 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1jyn n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jyn n GLY 528 N 2.94 2.95 3.74 -1.23 0.00 -1.26 -5.01 105.19 107.31 1jyn n GLY 528 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1jyn n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jyn s GLU 529 N 0.00 4.69 0.00 1.61 2.56 -0.20 -4.93 118.70 122.43 1jyn s GLU 529 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 54.97 56.55 1jyn s GLU 529 Cb 0.00 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.82 1jyn s GLU 529 CO 0.00 0.23 0.01 0.25 -0.56 0.00 0.00 175.26 175.18 1jyn n THR 530 N 2.25 0.00 -1.61 -1.70 -2.24 -1.26 -4.78 114.28 104.94 1jyn n THR 530 Ca 0.01 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1jyn n THR 530 Cb 0.47 1.95 0.05 0.00 -2.10 0.00 0.00 70.33 70.70 1jyn n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jyn s ARG 531 N -0.00 2.94 0.67 -0.78 0.52 -1.26 -4.10 118.95 116.94 1jyn s ARG 531 Ca 0.00 0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 55.99 1jyn s ARG 531 Cb 0.00 -1.99 -0.00 0.00 0.52 0.00 0.00 34.95 33.47 1jyn s ARG 531 CO 0.00 -1.08 1.06 -1.25 0.02 0.00 0.00 175.30 174.05 1jyn s PRO 532 N -5.07 3.04 -0.11 3.54 0.04 -1.01 -4.79 135.00 130.64 1jyn s PRO 532 Ca 0.58 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.65 1jyn s PRO 532 Cb -0.14 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1jyn s PRO 532 CO 0.55 -1.02 -0.15 -1.17 0.04 0.00 0.00 177.00 175.24 1jyn s LEU 533 N -5.27 1.73 -0.15 -3.56 0.20 -0.00 -0.90 118.68 110.73 1jyn s LEU 533 Ca 0.59 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.95 1jyn s LEU 533 Cb -0.14 -1.11 0.05 0.00 -0.43 0.00 0.00 46.19 44.56 1jyn s LEU 533 CO 0.50 0.01 0.04 -0.63 -0.29 0.00 0.00 176.35 175.99 1jyn s ILE 534 N 1.00 0.28 0.20 6.68 1.01 -0.37 -1.31 121.20 128.69 1jyn s ILE 534 Ca -0.06 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 1jyn s ILE 534 Cb -0.15 -0.73 -0.11 0.00 0.01 0.00 0.00 42.46 41.48 1jyn s ILE 534 CO -0.02 -0.10 1.62 -0.76 0.00 0.00 0.00 174.94 175.69 1jyn s LEU 535 N 1.98 4.37 0.41 2.97 1.02 -0.68 -4.18 118.68 124.57 1jyn s LEU 535 Ca 0.02 2.76 0.22 0.00 0.02 0.00 0.00 54.13 57.14 1jyn s LEU 535 Cb -0.15 -3.60 0.63 0.00 0.02 0.00 0.00 46.19 43.08 1jyn s LEU 535 CO -0.07 -0.88 1.70 0.00 0.02 0.00 0.00 176.35 177.11 1jyn s GLN 537 N -3.39 0.40 0.12 0.00 -0.21 -1.23 -4.35 119.66 111.00 1jyn s GLN 537 Ca 0.03 0.80 -0.16 0.00 0.02 0.00 0.00 55.36 56.04 1jyn s GLN 537 Cb 0.08 -0.02 0.04 0.00 1.00 0.00 0.00 33.01 34.11 1jyn s GLN 537 CO 0.66 -0.16 0.41 1.52 -2.12 0.00 0.00 175.29 175.60 1jyn s TYR 538 N 1.43 -0.22 0.39 0.91 1.13 -0.45 0.23 117.35 120.77 1jyn s TYR 538 Ca -0.09 -0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 1jyn s TYR 538 Cb -0.08 0.27 0.00 0.00 -1.10 0.00 0.00 41.96 41.04 1jyn s TYR 538 CO -0.13 -0.70 0.00 0.00 -2.51 0.00 0.00 175.55 172.21 1jyn n ALA 539 N -0.18 -2.07 -3.36 9.51 0.00 -1.26 -0.48 120.51 122.67 1jyn n ALA 539 Ca -0.16 0.50 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 1jyn n ALA 539 Cb 0.64 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 1jyn n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jyn s HIS 540 N -4.16 -0.43 -0.28 0.00 2.46 -0.64 -3.75 115.29 108.49 1jyn s HIS 540 Ca 0.00 -0.53 -0.07 0.00 0.47 0.00 0.00 55.06 54.93 1jyn s HIS 540 Cb 0.00 -0.38 -0.23 0.00 -0.13 0.00 0.00 32.58 31.83 1jyn s HIS 540 CO 0.00 -0.96 3.46 0.00 -2.47 0.00 0.00 174.74 174.76 1jyn n ALA 541 N 4.62 6.48 -2.60 1.58 0.00 0.28 -4.44 120.51 126.43 1jyn n ALA 541 Ca 0.07 -2.09 -0.41 0.00 0.00 0.00 0.00 53.44 51.01 1jyn n ALA 541 Cb 0.46 -2.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.34 1jyn n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1jyn s MET 542 N 1.25 3.90 3.66 0.00 0.00 -1.26 -3.26 119.30 123.59 1jyn s MET 542 Ca 0.66 0.25 0.00 0.00 0.00 0.00 0.00 55.69 56.60 1jyn s MET 542 Cb 0.29 -3.72 0.00 0.00 0.00 0.00 0.00 34.83 31.40 1jyn s MET 542 CO -0.01 -0.53 0.00 0.41 0.00 0.00 0.00 175.02 174.88 1jyn n GLY 543 N 4.47 0.53 3.55 2.11 0.00 -1.26 -4.23 105.19 110.36 1jyn n GLY 543 Ca -0.02 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 1jyn n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jyn s ASN 544 N -4.00 5.77 0.00 1.61 3.84 -1.26 -4.86 114.94 116.04 1jyn s ASN 544 Ca 0.00 -0.28 0.00 0.00 0.21 0.00 0.00 52.86 52.79 1jyn s ASN 544 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1jyn s ASN 544 CO 0.00 -2.09 0.00 -0.24 -2.79 0.00 0.00 177.10 171.98 1jyn n SER 545 N 11.02 0.00 -0.10 -4.21 2.88 -1.26 -4.73 113.62 117.21 1jyn n SER 545 Ca 0.16 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.69 1jyn n SER 545 Cb 0.50 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1jyn n SER 545 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jyn n LEU 546 N 0.00 -0.05 -4.72 2.46 4.32 -1.23 -4.79 117.00 113.00 1jyn n LEU 546 Ca 0.00 0.03 -0.42 0.00 -0.02 0.00 0.00 56.01 55.60 1jyn n LEU 546 Cb 0.00 -0.75 -0.03 0.00 -1.62 0.00 0.00 43.42 41.02 1jyn n LEU 546 CO 0.00 -0.12 1.08 -0.83 -1.22 0.00 0.00 177.39 176.30 1jyn s GLY 547 N -2.54 2.04 0.00 -0.72 0.00 -0.06 -2.14 107.32 103.90 1jyn s GLY 547 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1jyn s GLY 547 CO 0.00 2.33 0.00 0.61 0.00 0.00 0.00 173.10 176.04 1jyn n GLY 548 N 3.18 0.69 0.30 0.20 0.00 -0.12 -3.99 105.19 105.44 1jyn n GLY 548 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1jyn n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jyn h PHE 549 N 0.00 0.89 0.00 1.61 3.57 -1.61 -2.36 116.94 119.04 1jyn h PHE 549 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1jyn h PHE 549 Cb 0.00 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 1jyn h PHE 549 CO 0.00 0.47 -0.03 0.00 -2.23 0.00 0.00 178.31 176.52 1jyn h ALA 550 N 1.35 1.53 -0.36 2.41 0.00 -1.85 -1.78 119.26 120.56 1jyn h ALA 550 Ca 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1jyn h ALA 550 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jyn h ALA 550 CO -0.15 0.04 -0.00 -0.22 0.00 0.00 0.00 179.25 178.92 1jyn h LYS 551 N 0.00 0.57 -0.15 0.00 3.64 -1.82 -0.32 116.57 118.49 1jyn h LYS 551 Ca -0.00 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1jyn h LYS 551 Cb 0.08 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jyn h LYS 551 CO 0.00 0.59 -0.06 1.88 -2.27 0.00 0.00 179.45 179.60 1jyn h TYR 552 N 0.54 0.34 -0.55 1.91 0.05 -1.40 -2.55 116.97 115.32 1jyn h TYR 552 Ca 0.11 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1jyn h TYR 552 Cb 0.35 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 1jyn h TYR 552 CO 0.01 0.61 0.17 -1.49 -1.05 0.00 0.00 178.16 176.41 1jyn h TRP 553 N -0.03 0.84 -0.43 4.88 4.06 -1.41 0.19 115.95 124.05 1jyn h TRP 553 Ca 0.03 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.83 1jyn h TRP 553 Cb 0.51 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.41 1jyn h TRP 553 CO 0.06 0.68 -0.12 0.37 -3.56 0.00 0.00 178.44 175.87 1jyn h GLN 554 N 0.80 0.78 -0.31 0.49 -0.00 -1.02 -1.30 115.11 114.55 1jyn h GLN 554 Ca 0.18 -0.26 -0.12 0.00 -0.00 0.00 0.00 58.65 58.44 1jyn h GLN 554 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 1jyn h GLN 554 CO -0.01 0.87 -0.29 0.00 0.00 0.00 0.00 178.83 179.40 1jyn h ALA 555 N 1.16 0.45 -0.93 3.38 0.00 -0.87 -2.01 119.26 120.44 1jyn h ALA 555 Ca 0.12 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1jyn h ALA 555 Cb 0.60 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1jyn h ALA 555 CO 0.04 0.47 0.61 0.74 0.00 0.00 0.00 179.25 181.10 1jyn h PHE 556 N 0.49 1.12 0.00 0.00 0.04 -0.40 -1.53 116.94 116.66 1jyn h PHE 556 Ca 0.05 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.71 1jyn h PHE 556 Cb 0.86 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1jyn h PHE 556 CO 0.07 0.63 -0.65 0.00 -0.60 0.00 0.00 178.31 177.76 1jyn h ARG 557 N 1.14 0.00 0.02 1.51 3.08 -1.10 -3.30 114.38 115.73 1jyn h ARG 557 Ca 0.38 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.19 1jyn h ARG 557 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1jyn h ARG 557 CO -0.12 0.65 -1.17 0.37 -1.07 0.00 0.00 179.97 178.63 1jyn h GLN 558 N 0.00 0.04 -4.82 0.04 4.15 -0.65 -3.43 115.11 110.44 1jyn h GLN 558 Ca -0.01 -0.06 -0.67 0.00 0.77 0.00 0.00 58.65 58.68 1jyn h GLN 558 Cb 1.20 0.02 -0.22 0.00 0.21 0.00 0.00 27.48 28.69 1jyn h GLN 558 CO 0.09 0.94 -0.57 0.71 -1.93 0.00 0.00 178.83 178.06 1jyn s TYR 559 N -2.68 3.16 0.18 3.99 1.51 -0.65 -5.00 117.35 117.87 1jyn s TYR 559 Ca -0.01 -0.53 -0.15 0.00 -1.01 0.00 0.00 57.07 55.36 1jyn s TYR 559 Cb 0.09 -2.33 0.14 0.00 -0.11 0.00 0.00 41.96 39.75 1jyn s TYR 559 CO 0.83 -0.43 1.68 -1.35 -1.11 0.00 0.00 175.55 175.17 1jyn h PRO 560 N 8.32 0.06 0.00 -1.71 0.11 -1.85 -1.59 132.00 135.35 1jyn h PRO 560 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1jyn h PRO 560 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jyn h PRO 560 CO 0.60 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 178.97 1jyn n ARG 561 N -5.26 0.11 -2.88 1.05 1.74 -1.26 -4.35 116.66 105.81 1jyn n ARG 561 Ca 0.04 0.15 -0.43 0.00 -0.77 0.00 0.00 57.85 56.84 1jyn n ARG 561 Cb 0.24 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1jyn n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jyn s LEU 562 N -2.82 4.34 -0.26 0.55 1.43 -0.60 -0.82 118.68 120.50 1jyn s LEU 562 Ca 0.13 -0.73 0.13 0.00 -1.03 0.00 0.00 54.13 52.63 1jyn s LEU 562 Cb 0.12 -2.59 0.68 0.00 0.03 0.00 0.00 46.19 44.44 1jyn s LEU 562 CO 0.31 -1.29 1.65 0.00 0.23 0.00 0.00 176.35 177.25 1jyn n GLN 563 N 7.43 3.62 0.00 1.70 6.02 -0.43 -4.66 117.38 131.06 1jyn n GLN 563 Ca -0.02 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 53.92 1jyn n GLN 563 Cb 0.46 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1jyn n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jyn n GLY 564 N -0.16 0.10 0.00 1.08 0.00 -1.26 0.36 105.19 105.32 1jyn n GLY 564 Ca 0.31 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1jyn n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 565 N 0.00 0.24 3.19 -0.02 0.00 -0.96 -1.68 105.19 105.96 1jyn n GLY 565 Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1jyn n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jyn s PHE 566 N -2.00 3.12 0.52 1.61 0.40 -0.54 -0.76 117.98 120.32 1jyn s PHE 566 Ca 0.00 -1.65 -0.23 0.00 -0.60 0.00 0.00 56.93 54.45 1jyn s PHE 566 Cb 0.00 -2.07 -0.06 0.00 0.51 0.00 0.00 43.02 41.41 1jyn s PHE 566 CO 0.00 -0.75 1.35 0.08 0.70 0.00 0.00 175.22 176.60 1jyn s VAL 567 N 1.30 2.17 -0.35 -0.44 1.01 -0.11 -1.33 120.40 122.65 1jyn s VAL 567 Ca -0.01 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1jyn s VAL 567 Cb -0.17 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.19 1jyn s VAL 567 CO -0.04 0.00 0.12 0.86 0.00 0.00 0.00 175.10 176.05 1jyn s TRP 568 N -1.30 3.30 0.00 5.22 -0.11 0.37 -1.20 118.94 125.21 1jyn s TRP 568 Ca 0.68 -1.60 0.00 0.00 1.22 0.00 0.00 56.10 56.41 1jyn s TRP 568 Cb -0.40 -2.43 0.00 0.00 -1.50 0.00 0.00 33.47 29.14 1jyn s TRP 568 CO 0.48 -0.78 0.00 -0.40 -4.62 0.00 0.00 176.95 171.64 1jyn n ASP 569 N 4.78 0.00 0.16 5.86 5.75 -0.48 -0.56 116.55 132.07 1jyn n ASP 569 Ca -0.11 -0.97 -0.09 0.00 -0.01 0.00 0.00 54.79 53.61 1jyn n ASP 569 Cb 0.44 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.48 1jyn n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1jyn h TRP 570 N 0.97 -0.45 -4.06 2.11 2.91 -1.07 -1.07 115.95 115.29 1jyn h TRP 570 Ca 0.00 -0.01 -0.51 0.00 1.13 0.00 0.00 58.89 59.50 1jyn h TRP 570 Cb 0.00 0.15 -0.30 0.00 -0.51 0.00 0.00 29.16 28.50 1jyn h TRP 570 CO 0.00 -0.21 -0.82 0.54 -1.03 0.00 0.00 178.44 176.92 1jyn s VAL 571 N -3.42 1.19 0.31 2.65 0.11 -1.26 -0.86 120.40 119.13 1jyn s VAL 571 Ca -0.09 -0.62 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 1jyn s VAL 571 Cb 0.01 -1.01 -0.12 0.00 -1.53 0.00 0.00 36.38 33.73 1jyn s VAL 571 CO 0.30 0.34 1.55 0.47 -3.33 0.00 0.00 175.10 174.43 1jyn n ASP 572 N 2.95 3.74 -3.62 3.54 8.00 -0.34 -4.42 116.55 126.39 1jyn n ASP 572 Ca -0.16 1.17 -0.41 0.00 0.71 0.00 0.00 54.79 56.10 1jyn n ASP 572 Cb 0.54 -1.59 -0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1jyn n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyn n GLN 573 N 1.66 4.31 -3.56 -1.24 6.02 -0.47 -3.98 117.38 120.12 1jyn n GLN 573 Ca 0.07 -3.55 -0.29 0.00 -0.01 0.00 0.00 57.00 53.22 1jyn n GLN 573 Cb 0.37 -2.72 -0.04 0.00 1.02 0.00 0.00 30.24 28.88 1jyn n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jyn s SER 574 N 0.40 6.44 0.12 1.08 1.04 -1.26 -4.73 113.70 116.79 1jyn s SER 574 Ca 0.48 0.57 0.11 0.00 0.48 0.00 0.00 55.95 57.59 1jyn s SER 574 Cb 0.15 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.15 1jyn s SER 574 CO -0.06 -0.07 -0.27 -0.76 0.98 0.00 0.00 173.24 173.06 1jyn s LEU 575 N -3.21 2.31 0.02 2.42 1.43 -0.68 -4.34 118.68 116.62 1jyn s LEU 575 Ca 0.41 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 1jyn s LEU 575 Cb -0.11 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 1jyn s LEU 575 CO 0.28 0.18 0.79 -0.63 0.23 0.00 0.00 176.35 177.20 1jyn s ILE 576 N -1.05 4.81 0.36 -0.59 -1.09 -0.66 -0.61 121.20 122.38 1jyn s ILE 576 Ca 0.14 1.67 0.08 0.00 -2.23 0.00 0.00 60.65 60.31 1jyn s ILE 576 Cb -0.10 -4.14 -0.07 0.00 -1.58 0.00 0.00 42.46 36.57 1jyn s ILE 576 CO 0.06 0.31 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.48 1jyn s LYS 577 N 0.30 1.83 -0.07 2.79 1.02 -0.06 -4.93 119.74 120.63 1jyn s LYS 577 Ca 0.41 -1.98 0.05 0.00 0.02 0.00 0.00 55.97 54.47 1jyn s LYS 577 Cb -0.20 -1.59 -0.01 0.00 -0.52 0.00 0.00 37.83 35.51 1jyn s LYS 577 CO 0.23 0.05 -0.24 0.71 -0.92 0.00 0.00 175.35 175.18 1jyn s TYR 578 N -2.71 2.43 0.56 3.18 1.51 -1.26 0.28 117.35 121.33 1jyn s TYR 578 Ca 0.33 -0.81 -0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1jyn s TYR 578 Cb 0.05 -1.60 0.13 0.00 -0.11 0.00 0.00 41.96 40.43 1jyn s TYR 578 CO 0.17 -0.28 0.73 -0.40 -1.11 0.00 0.00 175.55 174.66 1jyn n ASP 579 N 3.14 -0.06 0.11 2.29 5.68 -0.08 -4.82 116.55 122.82 1jyn n ASP 579 Ca -0.18 -1.24 0.17 0.00 -0.50 0.00 0.00 54.79 53.04 1jyn n ASP 579 Cb 0.52 -0.57 0.73 0.00 -1.14 0.00 0.00 41.12 40.67 1jyn n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1jyn h GLU 580 N 0.00 0.00 -0.16 0.11 4.11 -2.01 0.10 114.58 116.73 1jyn h GLU 580 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1jyn h GLU 580 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1jyn h GLU 580 CO 0.17 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.34 1jyn n ASN 581 N -4.16 2.10 0.00 3.06 3.02 -1.26 -4.92 115.26 113.10 1jyn n ASN 581 Ca 0.05 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 1jyn n ASN 581 Cb 0.44 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1jyn n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jyn n GLY 582 N 1.23 0.77 3.78 7.41 0.00 0.35 -5.01 105.19 113.72 1jyn n GLY 582 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1jyn n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jyn s ASN 583 N -2.59 7.29 0.54 1.61 0.01 -1.26 -4.69 114.94 115.86 1jyn s ASN 583 Ca 0.00 1.53 -0.18 0.00 -0.71 0.00 0.00 52.86 53.50 1jyn s ASN 583 Cb 0.00 -2.46 -0.06 0.00 0.41 0.00 0.00 41.25 39.14 1jyn s ASN 583 CO 0.00 0.20 1.06 -2.16 -1.51 0.00 0.00 177.10 174.69 1jyn s PRO 584 N -0.99 3.52 0.03 -0.60 0.04 -1.26 -0.90 135.00 134.84 1jyn s PRO 584 Ca 0.35 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 1jyn s PRO 584 Cb -0.22 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1jyn s PRO 584 CO 0.24 -0.66 0.23 1.67 0.04 0.00 0.00 177.00 178.53 1jyn s TRP 585 N -2.19 -0.02 -0.19 0.56 1.48 0.14 -4.89 118.94 113.83 1jyn s TRP 585 Ca 0.66 -0.13 -0.27 0.00 -1.06 0.00 0.00 56.10 55.30 1jyn s TRP 585 Cb -0.17 0.02 -0.00 0.00 -1.16 0.00 0.00 33.47 32.15 1jyn s TRP 585 CO 0.29 -0.43 0.93 -1.12 -4.06 0.00 0.00 176.95 172.56 1jyn s SER 586 N -1.90 7.03 0.23 -2.66 0.01 -1.26 -0.88 113.70 114.27 1jyn s SER 586 Ca -0.07 1.27 0.10 0.00 1.31 0.00 0.00 55.95 58.56 1jyn s SER 586 Cb -0.02 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1jyn s SER 586 CO -0.02 -0.52 -0.07 0.00 0.41 0.00 0.00 173.24 173.04 1jyn s ALA 587 N 2.61 3.02 0.00 1.44 0.00 0.22 -4.90 121.76 124.15 1jyn s ALA 587 Ca 0.41 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1jyn s ALA 587 Cb -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1jyn s ALA 587 CO 0.10 0.34 0.00 2.48 0.00 0.00 0.00 175.76 178.69 1jyn n TYR 588 N -0.50 0.00 -1.59 0.00 0.18 -1.26 -1.69 117.16 112.30 1jyn n TYR 588 Ca -0.08 0.00 -0.48 0.00 1.88 0.00 0.00 57.90 59.22 1jyn n TYR 588 Cb 0.58 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.50 1jyn n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jyn n GLY 589 N 1.34 0.13 2.38 -7.48 0.00 -0.41 -1.66 105.19 99.48 1jyn n GLY 589 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1jyn n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 590 N 1.95 2.70 0.00 -0.02 0.00 -1.26 -4.08 105.19 104.49 1jyn n GLY 590 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1jyn n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyn n ASP 591 N 0.00 0.00 -0.63 1.61 8.00 -0.67 -2.19 116.55 122.66 1jyn n ASP 591 Ca 0.00 0.13 0.06 0.00 0.71 0.00 0.00 54.79 55.70 1jyn n ASP 591 Cb 0.00 -0.32 0.18 0.00 -0.02 0.00 0.00 41.12 40.96 1jyn n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jyn n PHE 592 N -1.32 0.56 -0.71 1.24 3.01 -1.26 -4.91 117.46 114.07 1jyn n PHE 592 Ca 0.07 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 57.86 1jyn n PHE 592 Cb 0.13 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1jyn n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jyn n GLY 593 N -0.06 0.79 3.73 1.37 0.00 -0.93 -4.87 105.19 105.22 1jyn n GLY 593 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1jyn n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jyn s ASP 594 N -2.68 6.92 -0.20 1.61 -4.77 -1.26 -5.01 116.67 111.28 1jyn s ASP 594 Ca 0.00 2.32 -0.27 0.00 -3.30 0.00 0.00 52.55 51.30 1jyn s ASP 594 Cb 0.00 -2.60 0.09 0.00 -1.09 0.00 0.00 42.92 39.32 1jyn s ASP 594 CO 0.00 -0.54 0.80 0.28 0.70 0.00 0.00 175.17 176.41 1jyn s THR 595 N 0.48 0.00 0.99 2.11 -1.32 -1.26 -4.05 115.64 112.58 1jyn s THR 595 Ca 0.59 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.95 1jyn s THR 595 Cb -0.35 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.82 1jyn s THR 595 CO 0.35 0.00 1.08 -2.84 -2.21 0.00 0.00 174.62 171.00 1jyn s PRO 596 N -0.25 0.48 0.16 7.08 0.02 -1.26 -5.16 135.00 136.08 1jyn s PRO 596 Ca -0.03 0.98 -0.09 0.00 0.02 0.00 0.00 61.00 61.89 1jyn s PRO 596 Cb -0.03 -1.71 -0.01 0.00 0.02 0.00 0.00 34.50 32.77 1jyn s PRO 596 CO 0.02 -2.82 0.28 0.54 -0.33 0.00 0.00 177.00 174.70 1jyn s ASN 597 N -2.97 0.04 -0.28 2.53 2.20 -1.26 -4.73 114.94 110.48 1jyn s ASN 597 Ca 0.66 -0.85 0.10 0.00 -0.94 0.00 0.00 52.86 51.83 1jyn s ASN 597 Cb -0.21 0.43 0.52 0.00 -2.00 0.00 0.00 41.25 39.99 1jyn s ASN 597 CO 0.60 -0.89 1.48 0.47 -2.94 0.00 0.00 177.10 175.82 1jyn n ASP 598 N -0.21 2.85 0.00 3.54 8.00 -0.76 -4.96 116.55 125.01 1jyn n ASP 598 Ca -0.08 -3.60 0.00 0.00 0.71 0.00 0.00 54.79 51.82 1jyn n ASP 598 Cb 0.63 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jyn n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jyn n ARG 599 N -1.00 0.00 0.00 -1.24 1.85 -1.26 -1.51 116.66 113.50 1jyn n ARG 599 Ca 0.32 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.29 1jyn n ARG 599 Cb 1.04 0.00 0.69 0.00 -1.05 0.00 0.00 32.46 33.15 1jyn n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jyn n GLN 600 N 14.00 0.96 0.00 2.89 0.00 -1.26 -1.29 117.38 132.68 1jyn n GLN 600 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.00 57.04 1jyn n GLN 600 Cb 0.00 -1.38 0.21 0.00 0.00 0.00 0.00 30.24 29.07 1jyn n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1jyn n PHE 601 N -0.88 0.00 1.75 2.61 3.72 -0.57 -1.02 117.46 123.08 1jyn n PHE 601 Ca 0.18 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.73 1jyn n PHE 601 Cb 0.08 -0.32 0.83 0.00 -0.94 0.00 0.00 39.48 39.14 1jyn n PHE 601 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jyn s MET 603 N -2.19 1.90 -0.04 0.00 -1.94 -0.19 -1.37 119.30 115.47 1jyn s MET 603 Ca 0.40 -1.71 0.12 0.00 -1.71 0.00 0.00 55.69 52.79 1jyn s MET 603 Cb 0.21 -3.32 0.22 0.00 2.01 0.00 0.00 34.83 33.95 1jyn s MET 603 CO 0.40 -0.91 1.10 0.09 -0.01 0.00 0.00 175.02 175.69 1jyn n ASN 604 N 4.46 0.80 -4.96 3.03 5.03 -1.26 -4.18 115.26 118.17 1jyn n ASN 604 Ca -0.03 -2.33 -0.22 0.00 0.87 0.00 0.00 54.58 52.88 1jyn n ASN 604 Cb 0.42 -0.30 -0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1jyn n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1jyn s GLY 605 N -1.79 1.47 0.44 7.41 0.00 -1.20 -1.38 107.32 112.26 1jyn s GLY 605 Ca 0.19 -1.14 0.24 0.00 0.00 0.00 0.00 44.72 44.02 1jyn s GLY 605 CO -0.06 -1.04 1.76 1.41 0.00 0.00 0.00 173.10 175.17 1jyn h LEU 606 N 0.71 0.00 -8.77 0.66 3.38 0.29 -3.43 115.31 108.15 1jyn h LEU 606 Ca -0.48 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.01 1jyn h LEU 606 Cb 1.24 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.81 1jyn h LEU 606 CO 0.58 0.19 -0.77 0.68 0.09 0.00 0.00 178.44 179.20 1jyn s VAL 607 N -3.48 1.68 0.84 1.22 -7.23 -0.04 -0.74 120.40 112.65 1jyn s VAL 607 Ca 0.02 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 1jyn s VAL 607 Cb 0.09 -1.77 0.10 0.00 0.56 0.00 0.00 36.38 35.35 1jyn s VAL 607 CO 0.64 -0.36 1.09 -0.36 -0.31 0.00 0.00 175.10 175.80 1jyn s PHE 608 N -2.13 2.51 0.52 2.82 0.08 0.71 -1.20 117.98 121.28 1jyn s PHE 608 Ca 0.14 1.31 0.24 0.00 0.12 0.00 0.00 56.93 58.74 1jyn s PHE 608 Cb -0.05 -3.12 1.36 0.00 -0.57 0.00 0.00 43.02 40.64 1jyn s PHE 608 CO 0.06 -2.09 2.00 0.00 -0.10 0.00 0.00 175.22 175.08 1jyn h ALA 609 N -1.33 2.44 -0.17 5.36 0.00 -1.89 0.35 119.26 124.02 1jyn h ALA 609 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1jyn h ALA 609 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jyn h ALA 609 CO 0.55 -0.58 0.00 -0.40 0.00 0.00 0.00 179.25 178.81 1jyn n ASP 610 N -4.40 1.04 0.00 0.00 5.68 -1.26 -4.47 116.55 113.15 1jyn n ASP 610 Ca 0.09 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1jyn n ASP 610 Cb 0.57 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1jyn n ASP 610 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jyn n ARG 611 N 0.02 0.00 -1.99 0.11 3.00 0.12 -5.01 116.66 112.91 1jyn n ARG 611 Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.52 1jyn n ARG 611 Cb 0.18 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 31.14 1jyn n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1jyn s THR 612 N -3.12 2.61 0.47 0.55 2.01 -1.26 -4.71 115.64 112.20 1jyn s THR 612 Ca 0.00 0.51 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 1jyn s THR 612 Cb 0.00 -3.33 -0.08 0.00 0.01 0.00 0.00 72.50 69.11 1jyn s THR 612 CO 0.00 0.08 1.09 -2.84 -0.69 0.00 0.00 174.62 172.26 1jyn s PRO 613 N -0.35 3.77 0.60 4.92 0.02 -1.26 -0.21 135.00 142.49 1jyn s PRO 613 Ca 0.60 1.55 -0.05 0.00 0.02 0.00 0.00 61.00 63.13 1jyn s PRO 613 Cb -0.42 -2.25 0.02 0.00 0.02 0.00 0.00 34.50 31.87 1jyn s PRO 613 CO 0.43 -0.49 0.89 -1.01 -0.33 0.00 0.00 177.00 176.50 1jyn s HIS 614 N -1.75 3.12 0.49 6.54 3.76 0.08 -4.78 115.29 122.75 1jyn s HIS 614 Ca 0.65 0.47 0.20 0.00 -0.15 0.00 0.00 55.06 56.23 1jyn s HIS 614 Cb -0.22 -2.81 1.31 0.00 1.11 0.00 0.00 32.58 31.96 1jyn s HIS 614 CO 0.27 -0.93 2.10 -1.35 -0.85 0.00 0.00 174.74 173.98 1jyn h PRO 615 N -0.19 0.00 0.00 8.40 0.11 -1.93 -1.53 132.00 136.86 1jyn h PRO 615 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1jyn h PRO 615 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jyn h PRO 615 CO 0.59 0.08 -0.03 0.00 -0.21 0.00 0.00 178.00 178.44 1jyn h ALA 616 N 1.92 1.47 -0.30 -0.75 0.00 -1.86 -2.62 119.26 117.10 1jyn h ALA 616 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jyn h ALA 616 Cb 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jyn h ALA 616 CO 0.01 0.03 -0.04 1.25 0.00 0.00 0.00 179.25 180.51 1jyn h LEU 617 N 0.00 0.45 -1.12 0.00 5.85 -1.47 -1.89 115.31 117.13 1jyn h LEU 617 Ca -0.00 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1jyn h LEU 617 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1jyn h LEU 617 CO 0.00 0.55 -0.13 0.00 -0.34 0.00 0.00 178.44 178.52 1jyn h THR 618 N 0.46 1.23 -0.36 1.05 1.03 -1.66 0.43 112.91 115.08 1jyn h THR 618 Ca 0.10 -1.00 0.01 0.00 -0.01 0.00 0.00 66.41 65.50 1jyn h THR 618 Cb 0.36 1.16 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 1jyn h THR 618 CO 0.01 0.33 0.24 -0.08 -0.01 0.00 0.00 175.52 176.01 1jyn h GLU 619 N 0.43 0.47 -0.43 0.00 4.57 -1.47 -0.70 114.58 117.46 1jyn h GLU 619 Ca 0.08 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1jyn h GLU 619 Cb 0.48 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1jyn h GLU 619 CO 0.03 0.31 0.21 0.00 -1.18 0.00 0.00 179.01 178.38 1jyn h ALA 620 N 1.14 0.55 -0.59 2.92 0.00 -0.89 -0.87 119.26 121.53 1jyn h ALA 620 Ca 0.13 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1jyn h ALA 620 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1jyn h ALA 620 CO -0.03 0.12 0.33 -0.22 0.00 0.00 0.00 179.25 179.45 1jyn h LYS 621 N 0.55 0.62 -0.25 0.00 3.64 -0.54 -1.01 116.57 119.59 1jyn h LYS 621 Ca 0.15 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1jyn h LYS 621 Cb 0.12 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1jyn h LYS 621 CO -0.02 0.41 -0.21 1.25 -2.27 0.00 0.00 179.45 178.61 1jyn h HIS 622 N 0.64 0.69 0.00 1.91 2.76 -0.83 -2.92 115.15 117.40 1jyn h HIS 622 Ca 0.25 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1jyn h HIS 622 Cb 0.10 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1jyn h HIS 622 CO -0.07 0.89 -0.22 1.96 -1.30 0.00 0.00 177.93 179.18 1jyn h GLN 623 N 0.30 0.00 -0.35 5.26 1.08 -0.92 -2.60 115.11 117.88 1jyn h GLN 623 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1jyn h GLN 623 Cb 0.76 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1jyn h GLN 623 CO 0.05 0.22 0.00 1.04 -0.95 0.00 0.00 178.83 179.20 1jyn n GLN 624 N -3.96 1.81 -1.29 1.46 6.02 -0.41 -4.96 117.38 116.05 1jyn n GLN 624 Ca -0.02 -1.25 -0.36 0.00 -0.01 0.00 0.00 57.00 55.36 1jyn n GLN 624 Cb 0.30 -1.27 0.07 0.00 1.02 0.00 0.00 30.24 30.36 1jyn n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1jyn n GLN 625 N 0.52 0.35 -0.10 -1.09 6.02 -0.98 -4.88 117.38 117.21 1jyn n GLN 625 Ca 0.12 0.16 0.10 0.00 -0.01 0.00 0.00 57.00 57.36 1jyn n GLN 625 Cb 0.29 -1.87 0.14 0.00 1.02 0.00 0.00 30.24 29.82 1jyn n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1jyn n PHE 626 N -2.34 0.26 -4.89 1.08 3.01 -1.26 -4.89 117.46 108.44 1jyn n PHE 626 Ca 0.11 -0.16 -0.27 0.00 1.01 0.00 0.00 57.45 58.13 1jyn n PHE 626 Cb 0.50 -0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.80 1jyn n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1jyn s PHE 627 N -1.44 1.86 0.10 1.38 0.08 -1.26 0.52 117.98 119.22 1jyn s PHE 627 Ca 0.29 -0.61 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1jyn s PHE 627 Cb 0.18 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1jyn s PHE 627 CO 0.26 -0.23 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.46 1jyn s GLN 628 N 0.18 2.37 0.04 0.44 -1.52 -0.23 -4.94 119.66 116.00 1jyn s GLN 628 Ca -0.08 -0.92 0.04 0.00 -1.95 0.00 0.00 55.36 52.45 1jyn s GLN 628 Cb -0.14 -2.44 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 1jyn s GLN 628 CO 0.04 0.53 -0.13 -0.06 -0.25 0.00 0.00 175.29 175.41 1jyn s PHE 629 N -1.28 1.10 0.05 0.91 0.40 -1.26 -0.67 117.98 117.23 1jyn s PHE 629 Ca 0.24 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1jyn s PHE 629 Cb -0.11 -0.65 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 1jyn s PHE 629 CO 0.17 0.02 -0.08 1.03 0.70 0.00 0.00 175.22 177.06 1jyn s ARG 630 N -1.25 0.58 -0.07 0.44 0.52 0.15 -4.96 118.95 114.35 1jyn s ARG 630 Ca -0.01 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1jyn s ARG 630 Cb -0.08 -0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.09 1jyn s ARG 630 CO 0.01 0.05 -0.20 -1.17 0.02 0.00 0.00 175.30 174.01 1jyn s LEU 631 N -1.76 1.94 -0.21 2.53 2.96 -1.26 -0.08 118.68 122.80 1jyn s LEU 631 Ca -0.07 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1jyn s LEU 631 Cb -0.08 -1.16 0.08 0.00 0.50 0.00 0.00 46.19 45.52 1jyn s LEU 631 CO -0.00 0.15 0.13 -0.55 -1.32 0.00 0.00 176.35 174.76 1jyn s SER 632 N 0.24 2.43 1.03 3.68 0.15 0.63 -4.96 113.70 116.90 1jyn s SER 632 Ca -0.11 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1jyn s SER 632 Cb -0.15 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1jyn s SER 632 CO 0.05 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1jyn n GLY 633 N 5.28 2.19 0.73 9.45 0.00 -1.26 0.05 105.19 121.63 1jyn n GLY 633 Ca -0.06 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.57 1jyn n GLY 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLN 634 N 12.07 2.82 -3.80 1.61 -0.00 -1.26 -4.97 117.38 123.85 1jyn n GLN 634 Ca 0.00 -2.53 -0.36 0.00 -0.00 0.00 0.00 57.00 54.11 1jyn n GLN 634 Cb 0.00 -1.61 -0.13 0.00 -0.00 0.00 0.00 30.24 28.50 1jyn n GLN 634 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1jyn s THR 635 N -2.19 3.95 -0.17 -0.39 2.01 0.11 -0.28 115.64 118.68 1jyn s THR 635 Ca 0.34 -0.42 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 1jyn s THR 635 Cb 0.26 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1jyn s THR 635 CO 0.10 0.28 0.33 -0.63 -0.69 0.00 0.00 174.62 174.02 1jyn s ILE 636 N 1.54 5.27 -0.18 1.82 1.01 -0.46 -0.27 121.20 129.93 1jyn s ILE 636 Ca 0.05 0.61 -0.04 0.00 0.00 0.00 0.00 60.65 61.28 1jyn s ILE 636 Cb -0.15 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1jyn s ILE 636 CO 0.01 0.34 -0.04 -0.70 0.00 0.00 0.00 174.94 174.55 1jyn s GLU 637 N 0.78 3.55 -0.20 2.79 2.12 0.89 -0.87 118.70 127.76 1jyn s GLU 637 Ca 0.18 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 54.90 1jyn s GLU 637 Cb -0.14 -2.94 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 1jyn s GLU 637 CO 0.06 0.08 -0.03 0.08 -0.54 0.00 0.00 175.26 174.91 1jyn s VAL 638 N 0.78 3.68 -0.06 3.70 1.01 -0.14 -0.67 120.40 128.68 1jyn s VAL 638 Ca -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1jyn s VAL 638 Cb -0.15 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1jyn s VAL 638 CO 0.02 0.44 -0.19 -0.89 0.00 0.00 0.00 175.10 174.47 1jyn s THR 639 N 1.07 2.57 -0.04 3.92 2.01 0.15 -0.24 115.64 125.08 1jyn s THR 639 Ca 0.01 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.97 1jyn s THR 639 Cb -0.15 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1jyn s THR 639 CO 0.01 0.57 0.43 -0.55 -0.69 0.00 0.00 174.62 174.39 1jyn s SER 640 N -0.30 6.76 0.00 3.53 0.15 -0.50 -1.07 113.70 122.27 1jyn s SER 640 Ca 0.01 0.90 0.22 0.00 0.70 0.00 0.00 55.95 57.79 1jyn s SER 640 Cb -0.13 -2.26 0.47 0.00 -1.71 0.00 0.00 66.02 62.39 1jyn s SER 640 CO 0.03 0.21 1.42 -0.62 1.20 0.00 0.00 173.24 175.47 1jyn n GLU 641 N 2.50 2.54 -2.33 5.44 1.02 0.18 -2.65 120.64 127.35 1jyn n GLU 641 Ca -0.12 -2.36 -0.35 0.00 -0.02 0.00 0.00 57.16 54.31 1jyn n GLU 641 Cb 0.52 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 1jyn n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jyn s TYR 642 N -1.33 2.75 -0.18 -0.32 2.02 -1.26 -4.85 117.35 114.18 1jyn s TYR 642 Ca 0.40 1.55 0.17 0.00 -0.37 0.00 0.00 57.07 58.83 1jyn s TYR 642 Cb 0.23 -3.24 -0.25 0.00 -0.40 0.00 0.00 41.96 38.30 1jyn s TYR 642 CO 0.31 -1.40 0.14 1.28 -1.57 0.00 0.00 175.55 174.31 1jyn n LEU 643 N -1.22 0.12 0.00 -1.29 4.77 -1.26 -2.27 117.00 115.85 1jyn n LEU 643 Ca 0.11 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1jyn n LEU 643 Cb 0.51 0.46 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1jyn n LEU 643 CO 0.42 0.49 -0.49 0.49 -1.33 0.00 0.00 177.39 176.97 1jyn n PHE 644 N -2.79 0.00 -3.74 -1.77 3.72 -1.26 -4.82 117.46 106.80 1jyn n PHE 644 Ca -0.31 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.83 1jyn n PHE 644 Cb 1.15 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.66 1jyn n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1jyn s ARG 645 N -1.97 3.49 0.53 -1.08 1.70 -1.26 -4.79 118.95 115.56 1jyn s ARG 645 Ca 0.00 -0.45 -0.06 0.00 -0.47 0.00 0.00 55.73 54.75 1jyn s ARG 645 Cb 0.00 -2.85 -0.02 0.00 -0.57 0.00 0.00 34.95 31.51 1jyn s ARG 645 CO 0.00 0.40 0.84 -1.01 -1.08 0.00 0.00 175.30 174.45 1jyn s HIS 646 N -1.92 3.48 -1.44 5.89 3.76 -1.26 -3.51 115.29 120.28 1jyn s HIS 646 Ca 0.37 0.81 -0.14 0.00 -0.15 0.00 0.00 55.06 55.95 1jyn s HIS 646 Cb -0.10 -2.47 0.03 0.00 1.11 0.00 0.00 32.58 31.15 1jyn s HIS 646 CO 0.30 -0.48 2.24 -1.13 -0.85 0.00 0.00 174.74 174.82 1jyn n SER 647 N -2.40 3.97 -1.37 1.40 3.41 -0.68 -4.68 113.62 113.26 1jyn n SER 647 Ca 0.02 -2.83 0.06 0.00 -0.26 0.00 0.00 58.87 55.86 1jyn n SER 647 Cb 0.56 -1.64 0.27 0.00 -0.26 0.00 0.00 64.21 63.14 1jyn n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jyn n ASP 648 N 6.07 3.99 -2.84 4.04 5.68 -1.26 -3.83 116.55 128.40 1jyn n ASP 648 Ca 0.53 -2.51 -0.11 0.00 -0.50 0.00 0.00 54.79 52.19 1jyn n ASP 648 Cb 0.39 -0.57 0.04 0.00 -1.14 0.00 0.00 41.12 39.84 1jyn n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jyn n ASN 649 N 0.56 -0.14 -3.66 -1.12 5.15 -1.26 -5.06 115.26 109.73 1jyn n ASN 649 Ca 0.19 -2.95 -0.14 0.00 -0.60 0.00 0.00 54.58 51.08 1jyn n ASN 649 Cb 0.81 0.23 -0.08 0.00 -0.53 0.00 0.00 39.78 40.21 1jyn n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1jyn s GLU 650 N -1.60 0.73 0.05 1.20 8.01 -1.25 -4.16 118.70 121.69 1jyn s GLU 650 Ca 0.29 0.87 0.02 0.00 0.01 0.00 0.00 54.97 56.16 1jyn s GLU 650 Cb 0.38 0.36 -0.03 0.00 -4.31 0.00 0.00 34.13 30.53 1jyn s GLU 650 CO -0.04 -0.09 -0.08 -0.48 0.01 0.00 0.00 175.26 174.58 1jyn s LEU 651 N 0.33 2.30 -0.23 1.80 0.05 -0.20 -2.36 118.68 120.36 1jyn s LEU 651 Ca -0.00 -0.63 -0.10 0.00 0.05 0.00 0.00 54.13 53.45 1jyn s LEU 651 Cb -0.04 -0.17 -0.05 0.00 -2.05 0.00 0.00 46.19 43.88 1jyn s LEU 651 CO 0.01 -0.24 0.14 -0.22 -0.55 0.00 0.00 176.35 175.49 1jyn s LEU 652 N -1.83 4.03 -0.19 1.48 2.96 0.14 -1.35 118.68 123.91 1jyn s LEU 652 Ca -0.06 0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1jyn s LEU 652 Cb -0.07 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 1jyn s LEU 652 CO -0.00 0.07 0.11 -1.00 -1.32 0.00 0.00 176.35 174.21 1jyn s HIS 653 N 1.02 3.38 0.03 5.38 3.76 -0.23 -0.57 115.29 128.06 1jyn s HIS 653 Ca 0.07 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.31 1jyn s HIS 653 Cb -0.13 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1jyn s HIS 653 CO 0.04 0.28 -0.14 1.67 -0.85 0.00 0.00 174.74 175.75 1jyn s TRP 654 N 0.28 1.21 -0.03 1.40 1.48 -0.50 -0.45 118.94 122.34 1jyn s TRP 654 Ca 0.07 -0.33 -0.02 0.00 -1.06 0.00 0.00 56.10 54.76 1jyn s TRP 654 Cb -0.11 -0.73 0.01 0.00 -1.16 0.00 0.00 33.47 31.48 1jyn s TRP 654 CO -0.01 0.02 0.07 1.41 -4.06 0.00 0.00 176.95 174.38 1jyn s MET 655 N -0.97 0.07 -0.10 3.25 -2.45 -0.29 -0.66 119.30 118.15 1jyn s MET 655 Ca 0.02 0.11 0.04 0.00 -1.25 0.00 0.00 55.69 54.61 1jyn s MET 655 Cb -0.07 0.01 -0.00 0.00 1.25 0.00 0.00 34.83 36.01 1jyn s MET 655 CO 0.01 -0.03 -0.23 0.08 1.05 0.00 0.00 175.02 175.90 1jyn s VAL 656 N 0.17 2.14 0.04 10.11 1.01 0.26 -1.22 120.40 132.92 1jyn s VAL 656 Ca -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1jyn s VAL 656 Cb -0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1jyn s VAL 656 CO -0.00 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.57 1jyn s ALA 657 N 0.34 0.62 -0.27 5.51 0.00 -0.55 -0.74 121.76 126.67 1jyn s ALA 657 Ca -0.18 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 1jyn s ALA 657 Cb -0.18 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1jyn s ALA 657 CO 0.09 0.01 0.08 -1.17 0.00 0.00 0.00 175.76 174.77 1jyn s LEU 658 N -1.48 3.67 -1.63 0.00 2.96 0.26 -1.24 118.68 121.21 1jyn s LEU 658 Ca -0.08 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.29 1jyn s LEU 658 Cb -0.09 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.77 1jyn s LEU 658 CO 0.01 -0.12 0.32 0.47 -1.32 0.00 0.00 176.35 175.71 1jyn n ASP 659 N 4.91 -0.50 0.00 3.68 8.00 -0.88 0.14 116.55 131.89 1jyn n ASP 659 Ca -0.15 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1jyn n ASP 659 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 1jyn n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jyn n GLY 660 N -1.95 2.45 3.60 0.44 0.00 -1.26 -4.88 105.19 103.59 1jyn n GLY 660 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1jyn n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyn s LYS 661 N -0.27 3.91 0.10 1.61 1.02 0.36 -4.67 119.74 121.80 1jyn s LYS 661 Ca 0.00 0.29 -0.31 0.00 0.02 0.00 0.00 55.97 55.97 1jyn s LYS 661 Cb 0.00 -3.72 -0.08 0.00 -0.52 0.00 0.00 37.83 33.51 1jyn s LYS 661 CO 0.00 -0.54 1.53 -2.14 -0.92 0.00 0.00 175.35 173.28 1jyn s PRO 662 N 2.56 4.24 -0.18 -1.68 0.02 -1.26 0.91 135.00 139.61 1jyn s PRO 662 Ca 0.24 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1jyn s PRO 662 Cb -0.15 -3.37 -0.11 0.00 0.02 0.00 0.00 34.50 30.88 1jyn s PRO 662 CO 0.11 -0.61 -0.17 1.28 -0.33 0.00 0.00 177.00 177.29 1jyn n LEU 663 N 4.67 2.80 -3.62 -5.54 4.77 0.08 -4.88 117.00 115.29 1jyn n LEU 663 Ca 0.14 -0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 1jyn n LEU 663 Cb 0.41 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1jyn n LEU 663 CO 0.61 0.76 0.81 0.00 -1.33 0.00 0.00 177.39 178.23 1jyn s ALA 664 N -2.36 -1.87 0.05 -1.18 0.00 -1.06 -5.01 121.76 110.33 1jyn s ALA 664 Ca -0.24 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.20 1jyn s ALA 664 Cb 0.07 0.40 0.09 0.00 0.00 0.00 0.00 23.12 23.68 1jyn s ALA 664 CO 0.40 -0.85 0.87 -1.54 0.00 0.00 0.00 175.76 174.65 1jyn s SER 665 N -2.67 -0.34 0.26 0.00 1.04 -1.26 -0.57 113.70 110.16 1jyn s SER 665 Ca 0.10 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1jyn s SER 665 Cb -0.00 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1jyn s SER 665 CO -0.04 -0.72 0.55 0.61 0.98 0.00 0.00 173.24 174.62 1jyn n GLY 666 N -0.31 1.26 2.99 7.32 0.00 0.17 -4.98 105.19 111.64 1jyn n GLY 666 Ca -0.09 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 1jyn n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jyn s GLU 667 N -2.06 0.36 -0.10 1.61 2.02 -1.26 -1.41 118.70 117.86 1jyn s GLU 667 Ca 0.11 -0.49 -0.06 0.00 0.02 0.00 0.00 54.97 54.55 1jyn s GLU 667 Cb -0.03 -0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.10 1jyn s GLU 667 CO 0.08 0.02 0.25 0.08 0.02 0.00 0.00 175.26 175.71 1jyn s VAL 668 N -0.97 -0.03 0.39 2.63 1.01 0.26 -4.98 120.40 118.71 1jyn s VAL 668 Ca -0.08 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 1jyn s VAL 668 Cb -0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 1jyn s VAL 668 CO -0.00 0.05 1.31 -2.84 0.00 0.00 0.00 175.10 173.61 1jyn s PRO 669 N 1.01 4.05 -0.19 2.72 0.02 -1.26 0.24 135.00 141.60 1jyn s PRO 669 Ca -0.07 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.03 1jyn s PRO 669 Cb -0.08 -2.82 -0.05 0.00 0.02 0.00 0.00 34.50 31.57 1jyn s PRO 669 CO -0.07 -0.43 0.11 -0.51 -0.33 0.00 0.00 177.00 175.77 1jyn s LEU 670 N -2.30 4.11 -0.46 -5.54 1.43 -1.00 -4.75 118.68 110.17 1jyn s LEU 670 Ca 0.55 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1jyn s LEU 670 Cb -0.38 -2.05 0.16 0.00 0.03 0.00 0.00 46.19 43.95 1jyn s LEU 670 CO 0.50 0.20 0.35 -0.62 0.23 0.00 0.00 176.35 177.01 1jyn s ASP 671 N 0.22 2.40 -0.12 2.29 2.15 -1.26 -4.76 116.67 117.60 1jyn s ASP 671 Ca 0.07 -3.10 0.03 0.00 0.43 0.00 0.00 52.55 49.98 1jyn s ASP 671 Cb -0.11 -0.71 0.01 0.00 -0.30 0.00 0.00 42.92 41.80 1jyn s ASP 671 CO -0.01 -0.17 -0.22 -0.69 -0.17 0.00 0.00 175.17 173.91 1jyn s VAL 672 N -0.11 2.01 0.84 1.11 1.01 -1.26 -4.88 120.40 119.11 1jyn s VAL 672 Ca 0.29 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1jyn s VAL 672 Cb -0.03 -1.76 0.09 0.00 0.00 0.00 0.00 36.38 34.68 1jyn s VAL 672 CO -0.16 0.54 1.13 0.00 0.00 0.00 0.00 175.10 176.61 1jyn s ALA 673 N 0.67 2.19 0.12 5.51 0.00 -1.26 -1.69 121.76 127.29 1jyn s ALA 673 Ca -0.11 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 1jyn s ALA 673 Cb -0.16 -3.04 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1jyn s ALA 673 CO 0.02 -1.89 1.79 -1.25 0.00 0.00 0.00 175.76 174.43 1jyn s PRO 674 N -5.30 4.15 0.00 0.00 0.04 -1.23 -0.77 135.00 131.88 1jyn s PRO 674 Ca 0.62 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.21 1jyn s PRO 674 Cb -0.14 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1jyn s PRO 674 CO 0.53 -0.82 0.00 1.04 0.04 0.00 0.00 177.00 177.79 1jyn n GLN 675 N 5.52 -0.01 -2.37 4.56 1.13 -0.96 -4.93 117.38 120.31 1jyn n GLN 675 Ca 0.17 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.98 1jyn n GLN 675 Cb 0.38 -2.81 0.13 0.00 0.11 0.00 0.00 30.24 28.06 1jyn n GLN 675 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1jyn s GLY 676 N -2.00 1.76 0.18 1.08 0.00 0.05 -4.71 107.32 103.67 1jyn s GLY 676 Ca 0.00 -1.55 0.09 0.00 0.00 0.00 0.00 44.72 43.26 1jyn s GLY 676 CO 0.00 -0.92 -0.18 0.54 0.00 0.00 0.00 173.10 172.54 1jyn s LYS 677 N -5.38 1.30 -0.01 2.90 1.02 -1.26 -1.40 119.74 116.91 1jyn s LYS 677 Ca 0.69 -1.45 0.02 0.00 0.02 0.00 0.00 55.97 55.25 1jyn s LYS 677 Cb -0.05 -1.33 -0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1jyn s LYS 677 CO 0.47 0.26 -0.08 -1.14 -0.92 0.00 0.00 175.35 173.94 1jyn s GLN 678 N -2.94 0.74 -0.20 1.68 0.74 0.67 -4.85 119.66 115.49 1jyn s GLN 678 Ca 0.17 -0.29 -0.06 0.00 0.05 0.00 0.00 55.36 55.23 1jyn s GLN 678 Cb -0.05 -0.71 -0.03 0.00 1.10 0.00 0.00 33.01 33.32 1jyn s GLN 678 CO 0.07 0.15 0.04 -0.51 -0.55 0.00 0.00 175.29 174.49 1jyn s LEU 679 N -0.06 3.54 -0.12 3.68 1.43 -1.26 -0.97 118.68 124.93 1jyn s LEU 679 Ca 0.01 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1jyn s LEU 679 Cb -0.05 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1jyn s LEU 679 CO -0.00 0.10 -0.20 -0.63 0.23 0.00 0.00 176.35 175.85 1jyn s ILE 680 N 0.80 1.87 -0.25 -0.59 1.01 -0.05 -4.98 121.20 119.01 1jyn s ILE 680 Ca 0.02 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 1jyn s ILE 680 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1jyn s ILE 680 CO 0.02 0.52 0.27 -1.61 0.00 0.00 0.00 174.94 174.14 1jyn s GLU 681 N 0.75 4.06 0.59 2.79 2.02 -1.26 -1.35 118.70 126.30 1jyn s GLU 681 Ca -0.10 -0.10 -0.14 0.00 0.02 0.00 0.00 54.97 54.66 1jyn s GLU 681 Cb -0.16 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 1jyn s GLU 681 CO 0.01 -0.09 1.02 -0.51 0.02 0.00 0.00 175.26 175.71 1jyn s LEU 682 N 1.49 3.39 0.85 1.80 1.43 0.62 -5.01 118.68 123.26 1jyn s LEU 682 Ca 0.12 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 1jyn s LEU 682 Cb -0.15 -4.50 0.10 0.00 0.03 0.00 0.00 46.19 41.68 1jyn s LEU 682 CO 0.08 -0.92 1.09 -2.16 0.23 0.00 0.00 176.35 174.68 1jyn s PRO 683 N -4.61 1.60 0.33 1.29 0.04 -1.26 -4.92 135.00 127.46 1jyn s PRO 683 Ca 0.58 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1jyn s PRO 683 Cb -0.12 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1jyn s PRO 683 CO 0.44 -2.07 1.54 -1.91 0.04 0.00 0.00 177.00 175.04 1jyn n GLU 684 N -3.79 2.65 -3.71 4.56 2.13 -1.26 -4.95 120.64 116.26 1jyn n GLU 684 Ca 0.08 0.94 -0.38 0.00 0.66 0.00 0.00 57.16 58.46 1jyn n GLU 684 Cb 0.54 -2.69 -0.12 0.00 0.27 0.00 0.00 31.44 29.45 1jyn n GLU 684 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1jyn s LEU 685 N -1.13 4.69 0.77 4.31 1.02 -1.26 -5.08 118.68 122.00 1jyn s LEU 685 Ca 0.59 -1.38 -0.16 0.00 0.02 0.00 0.00 54.13 53.21 1jyn s LEU 685 Cb -0.49 -1.90 -0.06 0.00 0.02 0.00 0.00 46.19 43.76 1jyn s LEU 685 CO 0.55 -0.42 0.20 -0.81 0.02 0.00 0.00 176.35 175.89 1jyn n PRO 686 N 4.81 0.12 -2.69 1.29 -0.04 -1.26 -4.90 135.00 132.33 1jyn n PRO 686 Ca -0.10 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 1jyn n PRO 686 Cb 0.44 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1jyn n PRO 686 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1jyn s GLN 687 N -2.50 4.43 0.57 0.54 1.11 -1.26 -5.00 119.66 117.54 1jyn s GLN 687 Ca 0.59 1.39 -0.19 0.00 0.01 0.00 0.00 55.36 57.16 1jyn s GLN 687 Cb -0.32 -3.54 -0.07 0.00 -1.01 0.00 0.00 33.01 28.07 1jyn s GLN 687 CO 0.65 -0.30 0.77 -0.35 0.01 0.00 0.00 175.29 176.07 1jyn n PRO 688 N 4.95 0.76 -0.33 2.91 -0.04 -1.26 -4.93 135.00 137.06 1jyn n PRO 688 Ca 0.08 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.86 1jyn n PRO 688 Cb 0.49 -1.94 0.16 0.00 -0.04 0.00 0.00 33.50 32.17 1jyn n PRO 688 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jyn h GLU 689 N 0.49 0.99 0.00 0.54 5.08 -2.03 -3.47 114.58 116.18 1jyn h GLU 689 Ca -0.47 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.75 1jyn h GLU 689 Cb 1.38 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1jyn h GLU 689 CO 0.50 0.65 -0.08 -1.13 -1.00 0.00 0.00 179.01 177.95 1jyn n SER 690 N -4.60 -0.16 -4.70 1.42 3.41 -1.26 -5.16 113.62 102.58 1jyn n SER 690 Ca 0.14 -1.41 -0.32 0.00 -0.26 0.00 0.00 58.87 57.01 1jyn n SER 690 Cb 0.20 0.35 0.14 0.00 -0.26 0.00 0.00 64.21 64.63 1jyn n SER 690 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyn s ALA 691 N -2.18 1.76 0.00 7.33 0.00 -1.26 -4.89 121.76 122.52 1jyn s ALA 691 Ca 0.07 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1jyn s ALA 691 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1jyn s ALA 691 CO 0.05 -2.39 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1jyn n GLY 692 N 0.29 1.00 3.56 0.00 0.00 0.48 -4.94 105.19 105.58 1jyn n GLY 692 Ca 0.13 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1jyn n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jyn s GLN 693 N -1.05 3.85 0.06 1.61 2.00 -1.26 -1.15 119.66 123.71 1jyn s GLN 693 Ca 0.00 -0.39 -0.19 0.00 -2.00 0.00 0.00 55.36 52.78 1jyn s GLN 693 Cb 0.00 -3.32 -0.06 0.00 0.80 0.00 0.00 33.01 30.42 1jyn s GLN 693 CO 0.00 0.03 0.55 -0.51 -0.50 0.00 0.00 175.29 174.86 1jyn s LEU 694 N 1.04 4.52 -0.00 3.68 1.43 -0.48 -2.06 118.68 126.80 1jyn s LEU 694 Ca 0.05 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 1jyn s LEU 694 Cb -0.14 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1jyn s LEU 694 CO 0.03 0.27 -0.16 0.26 0.23 0.00 0.00 176.35 176.99 1jyn s TRP 695 N -1.06 1.42 -0.18 0.29 0.52 -0.37 0.09 118.94 119.66 1jyn s TRP 695 Ca 0.28 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.08 1jyn s TRP 695 Cb -0.19 -0.91 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 1jyn s TRP 695 CO 0.18 -0.01 -0.02 -1.17 0.02 0.00 0.00 176.95 175.95 1jyn s LEU 696 N -0.49 3.26 -0.11 2.99 2.96 -0.05 -1.49 118.68 125.75 1jyn s LEU 696 Ca 0.06 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1jyn s LEU 696 Cb -0.06 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1jyn s LEU 696 CO -0.00 0.12 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.03 1jyn s THR 697 N 0.64 2.02 0.11 3.68 2.01 -0.35 -0.35 115.64 123.40 1jyn s THR 697 Ca -0.01 -0.98 0.09 0.00 0.31 0.00 0.00 61.69 61.10 1jyn s THR 697 Cb -0.14 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1jyn s THR 697 CO 0.02 0.55 -0.23 0.68 -0.69 0.00 0.00 174.62 174.95 1jyn s VAL 698 N 0.53 1.91 0.02 3.82 -7.23 -0.05 -1.14 120.40 118.28 1jyn s VAL 698 Ca -0.14 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1jyn s VAL 698 Cb -0.17 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 1jyn s VAL 698 CO 0.05 0.00 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.67 1jyn s ARG 699 N -1.94 0.35 -0.25 4.82 0.52 0.41 -1.66 118.95 121.21 1jyn s ARG 699 Ca 0.09 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.57 1jyn s ARG 699 Cb -0.10 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.31 1jyn s ARG 699 CO 0.05 -0.02 0.24 0.08 0.02 0.00 0.00 175.30 175.67 1jyn s VAL 700 N -1.35 5.30 -0.05 3.52 1.01 0.82 -1.07 120.40 128.57 1jyn s VAL 700 Ca -0.13 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1jyn s VAL 700 Cb -0.09 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1jyn s VAL 700 CO -0.01 0.28 -0.17 -0.69 0.00 0.00 0.00 175.10 174.52 1jyn s VAL 701 N 1.40 2.84 -0.40 2.92 1.01 -0.46 -1.32 120.40 126.39 1jyn s VAL 701 Ca 0.10 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1jyn s VAL 701 Cb -0.15 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1jyn s VAL 701 CO 0.07 0.58 0.47 -1.10 0.00 0.00 0.00 175.10 175.13 1jyn s GLN 702 N -0.55 3.32 0.36 2.72 -0.21 0.11 -1.04 119.66 124.37 1jyn s GLN 702 Ca 0.08 -0.51 0.17 0.00 0.02 0.00 0.00 55.36 55.12 1jyn s GLN 702 Cb -0.11 -3.90 0.62 0.00 1.00 0.00 0.00 33.01 30.62 1jyn s GLN 702 CO 0.01 -0.78 1.71 -1.00 -2.12 0.00 0.00 175.29 173.11 1jyn h PRO 703 N 8.65 0.00 -6.05 2.91 0.13 -1.88 0.36 132.00 136.13 1jyn h PRO 703 Ca -0.27 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.20 1jyn h PRO 703 Cb 1.12 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 1jyn h PRO 703 CO 0.79 0.41 -0.60 -0.80 -0.23 0.00 0.00 178.00 177.57 1jyn s ASN 704 N -6.50 5.48 0.74 1.44 0.02 -1.26 -3.73 114.94 111.13 1jyn s ASN 704 Ca -0.00 0.10 -0.14 0.00 -1.02 0.00 0.00 52.86 51.80 1jyn s ASN 704 Cb 0.11 -1.53 0.04 0.00 0.02 0.00 0.00 41.25 39.90 1jyn s ASN 704 CO 0.70 0.28 1.16 0.00 0.02 0.00 0.00 177.10 179.27 1jyn s ALA 705 N -1.14 2.13 0.36 0.60 0.00 -1.26 -4.47 121.76 117.99 1jyn s ALA 705 Ca 0.21 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1jyn s ALA 705 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1jyn s ALA 705 CO 0.12 -1.83 0.12 0.25 0.00 0.00 0.00 175.76 174.42 1jyn n THR 706 N -2.92 0.00 0.28 0.00 -2.24 -0.03 -4.92 114.28 104.46 1jyn n THR 706 Ca 0.12 -2.10 0.17 0.00 -2.27 0.00 0.00 64.05 59.97 1jyn n THR 706 Cb 0.51 0.74 0.72 0.00 -2.10 0.00 0.00 70.33 70.20 1jyn n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyn h ALA 707 N 1.58 1.01 -0.07 6.98 0.00 -1.99 -3.16 119.26 123.61 1jyn h ALA 707 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jyn h ALA 707 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jyn h ALA 707 CO 0.45 0.03 0.00 -2.67 0.00 0.00 0.00 179.25 177.06 1jyn n TRP 708 N -3.13 0.09 -3.76 0.00 4.27 -1.26 -5.05 117.44 108.60 1jyn n TRP 708 Ca 0.00 -0.18 -0.10 0.00 -3.89 0.00 0.00 57.50 53.34 1jyn n TRP 708 Cb 0.29 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.17 1jyn n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1jyn s SER 709 N -0.67 -0.04 0.50 -0.67 1.04 -1.20 -4.66 113.70 108.00 1jyn s SER 709 Ca 0.09 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 56.00 1jyn s SER 709 Cb 0.05 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1jyn s SER 709 CO 0.08 -0.76 0.80 -1.61 0.98 0.00 0.00 173.24 172.73 1jyn s GLU 710 N -3.67 3.43 0.48 4.02 0.41 -1.26 -0.85 118.70 121.27 1jyn s GLU 710 Ca 0.03 0.15 -0.24 0.00 -0.41 0.00 0.00 54.97 54.50 1jyn s GLU 710 Cb 0.03 -2.36 -0.07 0.00 -1.78 0.00 0.00 34.13 29.95 1jyn s GLU 710 CO -0.10 -0.28 1.33 0.00 -0.49 0.00 0.00 175.26 175.72 1jyn s ALA 711 N -2.78 3.03 0.00 5.21 0.00 -1.26 -2.08 121.76 123.88 1jyn s ALA 711 Ca 0.48 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1jyn s ALA 711 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1jyn s ALA 711 CO 0.45 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1jyn n GLY 712 N 0.64 0.82 3.77 0.00 0.00 0.13 -4.92 105.19 105.63 1jyn n GLY 712 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1jyn n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1jyn n HIS 713 N -2.00 2.96 -3.63 1.61 -0.00 -0.88 -4.59 115.22 108.69 1jyn n HIS 713 Ca 0.00 0.43 -0.37 0.00 0.46 0.00 0.00 57.72 58.24 1jyn n HIS 713 Cb 0.00 -2.53 -0.10 0.00 -0.12 0.00 0.00 29.99 27.23 1jyn n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1jyn s ILE 714 N -1.03 5.34 -0.42 3.57 1.01 -1.26 0.08 121.20 128.49 1jyn s ILE 714 Ca 0.54 0.18 0.17 0.00 0.00 0.00 0.00 60.65 61.54 1jyn s ILE 714 Cb -0.48 -3.52 -0.23 0.00 0.01 0.00 0.00 42.46 38.25 1jyn s ILE 714 CO 0.63 0.30 0.55 -1.54 0.00 0.00 0.00 174.94 174.88 1jyn n SER 715 N 4.61 0.91 -3.51 3.58 3.41 -0.44 -5.01 113.62 117.17 1jyn n SER 715 Ca -0.15 -0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 57.88 1jyn n SER 715 Cb 0.52 1.39 -0.04 0.00 -0.26 0.00 0.00 64.21 65.82 1jyn n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyn s ALA 716 N -2.89 -1.79 0.19 7.33 0.00 -1.25 -4.70 121.76 118.65 1jyn s ALA 716 Ca 0.00 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 1jyn s ALA 716 Cb 0.12 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1jyn s ALA 716 CO 0.71 -0.49 0.50 1.67 0.00 0.00 0.00 175.76 178.15 1jyn s TRP 717 N -2.01 -0.12 -0.07 0.00 -2.14 -1.26 -0.13 118.94 113.22 1jyn s TRP 717 Ca -0.03 -0.22 -0.29 0.00 2.66 0.00 0.00 56.10 58.21 1jyn s TRP 717 Cb -0.00 0.37 0.11 0.00 -3.10 0.00 0.00 33.47 30.84 1jyn s TRP 717 CO -0.00 -0.89 0.89 -1.14 -2.66 0.00 0.00 176.95 173.16 1jyn s GLN 718 N -3.87 0.78 0.12 3.25 2.00 -0.66 -4.99 119.66 116.29 1jyn s GLN 718 Ca 0.09 -0.04 0.03 0.00 -2.00 0.00 0.00 55.36 53.43 1jyn s GLN 718 Cb -0.01 0.36 -0.04 0.00 0.80 0.00 0.00 33.01 34.12 1jyn s GLN 718 CO -0.04 -0.29 -0.08 -0.65 -0.50 0.00 0.00 175.29 173.73 1jyn s GLN 719 N -2.04 0.95 0.03 1.67 -0.21 -1.26 -0.87 119.66 117.92 1jyn s GLN 719 Ca -0.00 -1.40 -0.10 0.00 0.02 0.00 0.00 55.36 53.89 1jyn s GLN 719 Cb -0.01 -0.38 0.01 0.00 1.00 0.00 0.00 33.01 33.63 1jyn s GLN 719 CO -0.02 0.01 0.19 -1.58 -2.12 0.00 0.00 175.29 171.77 1jyn s TRP 720 N -3.51 0.03 0.14 0.91 0.51 0.52 -4.98 118.94 112.56 1jyn s TRP 720 Ca 0.15 -0.19 -0.24 0.00 -2.12 0.00 0.00 56.10 53.70 1jyn s TRP 720 Cb 0.04 -0.02 -0.07 0.00 -0.81 0.00 0.00 33.47 32.61 1jyn s TRP 720 CO -0.02 -0.39 0.75 1.03 -0.51 0.00 0.00 176.95 177.80 1jyn s ARG 721 N -2.16 4.51 0.00 4.98 0.52 -1.26 -0.87 118.95 124.66 1jyn s ARG 721 Ca -0.08 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.22 1jyn s ARG 721 Cb -0.03 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1jyn s ARG 721 CO -0.02 0.55 0.00 1.28 0.02 0.00 0.00 175.30 177.13 1jyn n LEU 722 N 1.76 0.00 -4.76 2.53 4.77 0.11 -4.89 117.00 116.51 1jyn n LEU 722 Ca -0.06 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.56 1jyn n LEU 722 Cb 0.49 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1jyn n LEU 722 CO 0.46 0.00 0.84 0.00 -1.33 0.00 0.00 177.39 177.36 1jyn s ALA 723 N -2.92 2.74 -0.05 -1.18 0.00 -1.26 -4.68 121.76 114.40 1jyn s ALA 723 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.00 1jyn s ALA 723 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1jyn s ALA 723 CO 0.00 -0.95 -0.22 -2.00 0.00 0.00 0.00 175.76 172.60 1jyn s GLU 724 N -3.08 2.18 -0.31 0.00 2.12 -1.26 -1.39 118.70 116.96 1jyn s GLU 724 Ca 0.72 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 55.29 1jyn s GLU 724 Cb -0.29 -1.89 0.08 0.00 0.26 0.00 0.00 34.13 32.28 1jyn s GLU 724 CO 0.34 0.34 -0.01 -0.80 -0.54 0.00 0.00 175.26 174.58 1jyn s ASN 725 N -0.12 4.68 0.41 -1.70 0.01 -0.30 -4.97 114.94 112.95 1jyn s ASN 725 Ca -0.02 -1.72 -0.25 0.00 -0.71 0.00 0.00 52.86 50.16 1jyn s ASN 725 Cb -0.12 -1.62 -0.08 0.00 0.41 0.00 0.00 41.25 39.83 1jyn s ASN 725 CO 0.03 -0.30 1.21 -0.76 -1.51 0.00 0.00 177.10 175.77 1jyn s LEU 726 N 1.05 4.16 -0.08 0.60 1.43 -1.26 -0.39 118.68 124.19 1jyn s LEU 726 Ca 0.00 2.44 -0.30 0.00 -1.03 0.00 0.00 54.13 55.24 1jyn s LEU 726 Cb -0.20 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 1jyn s LEU 726 CO -0.06 -0.79 1.23 -0.55 0.23 0.00 0.00 176.35 176.42 1jyn s SER 727 N -1.05 7.01 -0.01 2.29 0.15 -1.26 -4.87 113.70 115.96 1jyn s SER 727 Ca 0.58 1.81 0.01 0.00 0.70 0.00 0.00 55.95 59.06 1jyn s SER 727 Cb -0.33 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.46 1jyn s SER 727 CO 0.41 -0.64 1.02 1.33 1.20 0.00 0.00 173.24 176.56 1jyn n VAL 728 N 4.82 1.05 -3.80 4.45 0.24 -1.26 -5.01 118.33 118.81 1jyn n VAL 728 Ca 0.12 -1.07 -0.35 0.00 -2.04 0.00 0.00 64.34 61.00 1jyn n VAL 728 Cb 0.46 0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 1jyn n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jyn s THR 729 N -1.10 5.31 0.22 3.34 -4.23 -1.26 -5.03 115.64 112.90 1jyn s THR 729 Ca 0.03 0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 60.38 1jyn s THR 729 Cb 0.02 -3.41 -0.10 0.00 1.34 0.00 0.00 72.50 70.36 1jyn s THR 729 CO 0.01 0.47 1.44 -1.48 -0.54 0.00 0.00 174.62 174.52 1jyn s LEU 730 N 0.18 4.38 0.37 4.79 0.05 -1.26 -5.01 118.68 122.18 1jyn s LEU 730 Ca 0.08 2.61 -0.24 0.00 0.05 0.00 0.00 54.13 56.63 1jyn s LEU 730 Cb -0.11 -3.61 -0.10 0.00 -2.05 0.00 0.00 46.19 40.31 1jyn s LEU 730 CO -0.01 -0.70 0.94 -2.84 -0.55 0.00 0.00 176.35 173.19 1jyn s PRO 731 N 0.01 4.42 0.08 1.48 0.02 -1.26 -4.96 135.00 134.79 1jyn s PRO 731 Ca 0.61 1.23 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 1jyn s PRO 731 Cb -0.41 -2.52 -0.09 0.00 0.02 0.00 0.00 34.50 31.50 1jyn s PRO 731 CO 0.40 0.14 1.70 0.00 -0.33 0.00 0.00 177.00 178.91 1jyn s ALA 732 N -1.87 3.70 0.16 -1.55 0.00 -1.26 -4.90 121.76 116.05 1jyn s ALA 732 Ca 0.55 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 1jyn s ALA 732 Cb -0.14 -3.72 -0.10 0.00 0.00 0.00 0.00 23.12 19.16 1jyn s ALA 732 CO 0.19 -1.15 1.55 0.00 0.00 0.00 0.00 175.76 176.35 1jyn s ALA 733 N 2.70 3.76 0.03 0.00 0.00 -1.26 -4.92 121.76 122.06 1jyn s ALA 733 Ca 0.76 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.91 1jyn s ALA 733 Cb -0.41 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.01 1jyn s ALA 733 CO 0.33 -0.76 0.41 -1.13 0.00 0.00 0.00 175.76 174.61 1jyn n SER 734 N 3.90 -0.17 -1.29 0.00 3.41 -1.26 -4.86 113.62 113.35 1jyn n SER 734 Ca 0.13 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.25 1jyn n SER 734 Cb 0.39 -0.42 0.16 0.00 -0.26 0.00 0.00 64.21 64.09 1jyn n SER 734 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jyn n HIS 735 N 0.47 1.14 -3.57 7.33 -0.00 -1.26 -4.86 115.22 114.47 1jyn n HIS 735 Ca 0.09 -0.58 -0.06 0.00 -0.00 0.00 0.00 57.72 57.16 1jyn n HIS 735 Cb 0.06 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.99 29.64 1jyn n HIS 735 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jyn s ALA 736 N -1.76 -1.98 -0.02 -1.41 0.00 -1.26 -5.17 121.76 110.16 1jyn s ALA 736 Ca 0.26 1.47 0.06 0.00 0.00 0.00 0.00 51.96 53.76 1jyn s ALA 736 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1jyn s ALA 736 CO 0.07 -0.53 -0.21 -1.50 0.00 0.00 0.00 175.76 173.59 1jyn s ILE 737 N -2.21 1.67 0.51 0.00 1.10 -1.26 -3.99 121.20 117.02 1jyn s ILE 737 Ca 0.06 -0.90 -0.21 0.00 -0.51 0.00 0.00 60.65 59.08 1jyn s ILE 737 Cb -0.01 -1.39 -0.06 0.00 0.15 0.00 0.00 42.46 41.15 1jyn s ILE 737 CO -0.05 0.47 1.17 -2.84 -2.11 0.00 0.00 174.94 171.59 1jyn s PRO 738 N -0.48 3.50 -0.19 3.50 0.02 -1.26 -4.96 135.00 135.13 1jyn s PRO 738 Ca 0.08 1.77 -0.06 0.00 0.02 0.00 0.00 61.00 62.81 1jyn s PRO 738 Cb -0.08 -2.22 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 1jyn s PRO 738 CO -0.01 -0.77 0.02 -1.58 -0.33 0.00 0.00 177.00 174.34 1jyn s HIS 739 N -1.60 3.11 -0.08 6.54 2.46 0.77 -4.76 115.29 121.74 1jyn s HIS 739 Ca 0.69 -0.22 -0.14 0.00 0.47 0.00 0.00 55.06 55.85 1jyn s HIS 739 Cb -0.28 -2.07 -0.05 0.00 -0.13 0.00 0.00 32.58 30.04 1jyn s HIS 739 CO 0.33 -0.07 0.36 -1.17 -2.47 0.00 0.00 174.74 171.72 1jyn s LEU 740 N 0.71 4.37 -0.14 8.88 2.96 -1.26 -0.82 118.68 133.38 1jyn s LEU 740 Ca 0.01 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 1jyn s LEU 740 Cb -0.14 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.07 1jyn s LEU 740 CO 0.02 0.21 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.17 1jyn s THR 741 N -0.33 2.23 -0.11 3.68 2.01 0.16 -4.97 115.64 118.31 1jyn s THR 741 Ca 0.21 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1jyn s THR 741 Cb -0.15 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1jyn s THR 741 CO 0.09 0.54 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.66 1jyn s THR 742 N 0.76 4.18 0.17 -0.82 2.01 -1.26 -0.23 115.64 120.44 1jyn s THR 742 Ca -0.08 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1jyn s THR 742 Cb -0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1jyn s THR 742 CO -0.00 0.57 0.13 -0.94 -0.69 0.00 0.00 174.62 173.69 1jyn s SER 743 N -0.50 0.19 0.28 3.53 1.04 0.28 -4.98 113.70 113.53 1jyn s SER 743 Ca 0.09 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 55.24 1jyn s SER 743 Cb -0.12 0.36 0.36 0.00 0.10 0.00 0.00 66.02 66.73 1jyn s SER 743 CO 0.02 -0.82 1.93 -0.33 0.98 0.00 0.00 173.24 175.03 1jyn h GLU 744 N 2.69 1.15 0.17 4.02 4.39 -2.03 -3.16 114.58 121.81 1jyn h GLU 744 Ca -0.35 -0.09 -0.31 0.00 0.34 0.00 0.00 59.36 58.95 1jyn h GLU 744 Cb 1.23 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1jyn h GLU 744 CO 0.54 0.79 -1.43 0.52 -1.16 0.00 0.00 179.01 178.27 1jyn h MET 745 N 1.17 0.36 -4.12 2.33 2.86 -1.97 -3.45 114.93 112.11 1jyn h MET 745 Ca 0.31 -0.61 -0.14 0.00 -2.06 0.00 0.00 59.70 57.20 1jyn h MET 745 Cb -0.08 0.23 -0.13 0.00 0.06 0.00 0.00 31.60 31.68 1jyn h MET 745 CO -0.06 1.27 -0.45 -0.51 1.06 0.00 0.00 176.91 178.22 1jyn s ASP 746 N -7.25 0.14 -0.26 1.22 1.11 -1.20 -0.20 116.67 110.23 1jyn s ASP 746 Ca -0.08 -1.03 -0.03 0.00 0.18 0.00 0.00 52.55 51.59 1jyn s ASP 746 Cb 0.06 0.39 0.02 0.00 1.07 0.00 0.00 42.92 44.46 1jyn s ASP 746 CO 0.89 -0.84 -0.02 -0.36 1.18 0.00 0.00 175.17 176.03 1jyn s PHE 747 N -4.01 3.10 0.01 4.23 0.08 -0.67 -0.56 117.98 120.16 1jyn s PHE 747 Ca 0.21 -1.39 0.04 0.00 0.12 0.00 0.00 56.93 55.92 1jyn s PHE 747 Cb 0.05 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1jyn s PHE 747 CO 0.02 -0.68 -0.10 0.00 -0.10 0.00 0.00 175.22 174.35 1jyn s ILE 749 N -0.97 1.38 0.03 0.00 1.09 -0.29 0.36 121.20 122.81 1jyn s ILE 749 Ca 0.16 -0.68 0.06 0.00 -1.10 0.00 0.00 60.65 59.09 1jyn s ILE 749 Cb -0.11 -1.19 -0.02 0.00 -1.06 0.00 0.00 42.46 40.08 1jyn s ILE 749 CO 0.07 0.40 -0.17 -0.70 -0.10 0.00 0.00 174.94 174.43 1jyn s GLU 750 N 0.09 1.22 -0.28 2.79 2.12 -0.00 -0.56 118.70 124.08 1jyn s GLU 750 Ca -0.05 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 1jyn s GLU 750 Cb -0.12 -1.26 0.17 0.00 0.26 0.00 0.00 34.13 33.18 1jyn s GLU 750 CO 0.02 0.32 0.52 -1.17 -0.54 0.00 0.00 175.26 174.41 1jyn s LEU 751 N -0.99 -1.12 0.00 2.70 2.96 -0.56 -0.16 118.68 121.51 1jyn s LEU 751 Ca 0.05 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1jyn s LEU 751 Cb -0.08 1.77 0.00 0.00 0.50 0.00 0.00 46.19 48.38 1jyn s LEU 751 CO 0.01 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 1jyn n GLY 752 N 5.41 3.70 0.31 7.98 0.00 -1.26 0.88 105.19 122.20 1jyn n GLY 752 Ca -0.02 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1jyn n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jyn n ASN 753 N 6.16 0.92 -4.60 1.61 6.94 -1.26 -4.89 115.26 120.14 1jyn n ASN 753 Ca 0.00 -1.59 -0.24 0.00 -0.02 0.00 0.00 54.58 52.73 1jyn n ASN 753 Cb 0.00 -0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.28 1jyn n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jyn s LYS 754 N -1.88 2.10 -0.14 -3.83 1.02 0.25 -1.96 119.74 115.30 1jyn s LYS 754 Ca 0.30 -1.58 -0.15 0.00 0.02 0.00 0.00 55.97 54.57 1jyn s LYS 754 Cb 0.15 -2.02 0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1jyn s LYS 754 CO 0.24 0.30 0.41 0.50 -0.92 0.00 0.00 175.35 175.87 1jyn s ARG 755 N -3.65 0.50 -0.06 1.68 3.52 -0.76 -1.50 118.95 118.68 1jyn s ARG 755 Ca 0.32 0.52 0.05 0.00 -0.13 0.00 0.00 55.73 56.48 1jyn s ARG 755 Cb -0.05 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.58 1jyn s ARG 755 CO 0.19 -0.07 -0.21 -1.58 -0.81 0.00 0.00 175.30 172.82 1jyn s TRP 756 N 0.10 2.06 -0.20 5.12 0.51 0.28 -1.61 118.94 125.21 1jyn s TRP 756 Ca -0.01 -0.64 -0.00 0.00 -2.12 0.00 0.00 56.10 53.32 1jyn s TRP 756 Cb -0.03 -1.38 0.01 0.00 -0.81 0.00 0.00 33.47 31.27 1jyn s TRP 756 CO 0.01 -0.22 -0.15 -1.14 -0.51 0.00 0.00 176.95 174.94 1jyn s GLN 757 N 0.03 3.06 -0.34 4.98 0.74 0.25 -1.13 119.66 127.25 1jyn s GLN 757 Ca -0.06 -0.80 -0.10 0.00 0.05 0.00 0.00 55.36 54.44 1jyn s GLN 757 Cb -0.13 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.26 1jyn s GLN 757 CO 0.04 -0.23 0.18 -0.06 -0.55 0.00 0.00 175.29 174.67 1jyn s PHE 758 N 1.33 3.20 -0.01 1.67 0.40 -0.46 0.53 117.98 124.65 1jyn s PHE 758 Ca 0.04 -0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 55.41 1jyn s PHE 758 Cb -0.14 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.94 1jyn s PHE 758 CO -0.10 -0.51 1.43 1.21 0.70 0.00 0.00 175.22 177.95 1jyn s ASN 759 N 1.61 6.83 0.32 1.36 3.84 0.03 -1.66 114.94 127.26 1jyn s ASN 759 Ca 0.04 2.12 0.26 0.00 0.21 0.00 0.00 52.86 55.49 1jyn s ASN 759 Cb -0.18 -2.56 0.76 0.00 -0.55 0.00 0.00 41.25 38.72 1jyn s ASN 759 CO 0.07 -0.75 1.74 0.03 -2.79 0.00 0.00 177.10 175.40 1jyn h ARG 760 N 8.02 0.00 0.00 0.43 3.08 -0.89 0.12 114.38 125.14 1jyn h ARG 760 Ca -0.38 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.40 1jyn h ARG 760 Cb 1.18 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 1jyn h ARG 760 CO 0.91 0.00 -1.62 1.96 -1.07 0.00 0.00 179.97 180.16 1jyn h GLN 761 N 0.00 0.00 0.01 0.04 7.50 -1.89 -3.38 115.11 117.39 1jyn h GLN 761 Ca 0.00 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.82 1jyn h GLN 761 Cb 0.73 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.21 1jyn h GLN 761 CO 0.00 0.51 -2.03 -1.13 -1.50 0.00 0.00 178.83 174.68 1jyn n SER 762 N -3.06 0.72 0.00 1.46 3.41 -1.19 -4.83 113.62 110.13 1jyn n SER 762 Ca -0.15 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1jyn n SER 762 Cb 1.02 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1jyn n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jyn n GLY 763 N 1.71 0.62 3.56 5.00 0.00 0.42 -4.76 105.19 111.73 1jyn n GLY 763 Ca -0.26 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1jyn n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jyn s PHE 764 N -2.00 2.57 -0.51 1.61 0.08 -1.24 -4.91 117.98 113.59 1jyn s PHE 764 Ca 0.00 -0.25 -0.27 0.00 0.12 0.00 0.00 56.93 56.53 1jyn s PHE 764 Cb 0.00 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.23 1jyn s PHE 764 CO 0.00 0.57 1.71 -1.17 -0.10 0.00 0.00 175.22 176.23 1jyn s LEU 765 N -3.11 3.40 0.02 -0.37 2.96 -1.26 -0.79 118.68 119.52 1jyn s LEU 765 Ca 0.27 0.64 0.23 0.00 -0.22 0.00 0.00 54.13 55.04 1jyn s LEU 765 Cb -0.08 -3.00 0.08 0.00 0.50 0.00 0.00 46.19 43.69 1jyn s LEU 765 CO 0.16 -1.97 1.08 -1.54 -1.32 0.00 0.00 176.35 172.76 1jyn n SER 766 N 11.05 0.69 -3.50 3.68 3.41 0.19 -2.41 113.62 126.72 1jyn n SER 766 Ca 0.19 -0.47 -0.16 0.00 -0.26 0.00 0.00 58.87 58.17 1jyn n SER 766 Cb 0.50 0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 65.14 1jyn n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1jyn s GLN 767 N -3.09 1.05 0.01 4.33 2.00 -1.13 -4.43 119.66 118.41 1jyn s GLN 767 Ca 0.07 0.09 -0.02 0.00 -2.00 0.00 0.00 55.36 53.49 1jyn s GLN 767 Cb 0.16 0.49 -0.01 0.00 0.80 0.00 0.00 33.01 34.45 1jyn s GLN 767 CO 0.80 -0.36 0.02 -1.64 -0.50 0.00 0.00 175.29 173.61 1jyn s MET 768 N -1.76 0.35 0.02 1.67 -1.94 -1.26 -0.59 119.30 115.79 1jyn s MET 768 Ca -0.07 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1jyn s MET 768 Cb -0.00 0.13 -0.01 0.00 2.01 0.00 0.00 34.83 36.96 1jyn s MET 768 CO 0.04 -0.07 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.34 1jyn s TRP 769 N -1.37 0.58 -0.25 -0.03 0.51 -0.63 0.45 118.94 118.20 1jyn s TRP 769 Ca -0.15 -0.28 0.02 0.00 -2.12 0.00 0.00 56.10 53.58 1jyn s TRP 769 Cb -0.09 -0.36 0.06 0.00 -0.81 0.00 0.00 33.47 32.27 1jyn s TRP 769 CO -0.00 -0.04 -0.11 0.42 -0.51 0.00 0.00 176.95 176.71 1jyn s ILE 770 N -0.69 2.03 0.00 2.03 1.01 -0.88 -1.84 121.20 122.86 1jyn s ILE 770 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.14 1jyn s ILE 770 Cb -0.06 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1jyn s ILE 770 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1jyn n GLY 771 N 4.50 2.55 1.63 6.18 0.00 -0.83 -1.05 105.19 118.17 1jyn n GLY 771 Ca -0.14 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.59 1jyn n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jyn n ASP 772 N 4.06 5.14 -4.61 1.61 5.75 -1.26 -4.92 116.55 122.32 1jyn n ASP 772 Ca 0.00 -2.78 -0.39 0.00 -0.01 0.00 0.00 54.79 51.61 1jyn n ASP 772 Cb 0.00 -0.62 -0.09 0.00 -1.03 0.00 0.00 41.12 39.37 1jyn n ASP 772 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1jyn s LYS 773 N -2.47 4.02 0.40 0.11 2.20 -0.22 -5.06 119.74 118.72 1jyn s LYS 773 Ca 0.51 -0.04 -0.25 0.00 -0.36 0.00 0.00 55.97 55.83 1jyn s LYS 773 Cb 0.37 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 32.97 1jyn s LYS 773 CO 0.18 -0.22 1.14 0.15 -0.36 0.00 0.00 175.35 176.24 1jyn s LYS 774 N 1.88 4.09 -0.01 4.03 1.02 -1.26 -2.06 119.74 127.43 1jyn s LYS 774 Ca 0.13 1.76 0.12 0.00 0.02 0.00 0.00 55.97 58.00 1jyn s LYS 774 Cb -0.16 -2.66 -0.15 0.00 -0.52 0.00 0.00 37.83 34.35 1jyn s LYS 774 CO 0.10 -0.27 0.43 1.04 -0.92 0.00 0.00 175.35 175.73 1jyn n GLN 775 N 0.07 2.27 -4.83 1.68 1.13 0.17 -4.78 117.38 113.09 1jyn n GLN 775 Ca 0.04 -0.03 -0.31 0.00 -1.94 0.00 0.00 57.00 54.76 1jyn n GLN 775 Cb 0.47 -1.13 -0.13 0.00 0.11 0.00 0.00 30.24 29.56 1jyn n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1jyn s LEU 776 N -2.95 2.49 -0.16 1.08 1.43 -1.26 -0.69 118.68 118.62 1jyn s LEU 776 Ca 0.02 -0.42 0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1jyn s LEU 776 Cb 0.09 -1.46 -0.21 0.00 0.03 0.00 0.00 46.19 44.63 1jyn s LEU 776 CO 0.49 0.28 0.07 0.18 0.23 0.00 0.00 176.35 177.60 1jyn n LEU 777 N 1.84 0.00 -3.98 1.79 4.77 0.68 -4.72 117.00 117.37 1jyn n LEU 777 Ca -0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.67 1jyn n LEU 777 Cb 0.52 0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.88 1jyn n LEU 777 CO 0.25 0.40 -0.40 0.42 -1.33 0.00 0.00 177.39 176.74 1jyn s THR 778 N -2.43 0.40 1.02 -5.08 -4.23 -1.14 -4.95 115.64 99.23 1jyn s THR 778 Ca -0.08 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 59.80 1jyn s THR 778 Cb 0.05 -0.40 0.15 0.00 1.34 0.00 0.00 72.50 73.64 1jyn s THR 778 CO 0.69 -0.08 0.74 -2.65 -0.54 0.00 0.00 174.62 172.78 1jyn n PRO 779 N 2.44 -1.10 -2.89 3.99 -0.02 -1.26 -3.56 135.00 132.59 1jyn n PRO 779 Ca -0.16 -0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 60.61 1jyn n PRO 779 Cb 0.57 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1jyn n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jyn s LEU 780 N -4.46 4.08 0.11 2.45 2.96 -1.01 -4.46 118.68 118.35 1jyn s LEU 780 Ca 0.63 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 1jyn s LEU 780 Cb -0.21 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1jyn s LEU 780 CO 0.64 -0.80 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.66 1jyn s ARG 781 N 3.27 0.88 0.60 1.98 0.52 -0.16 -4.19 118.95 121.85 1jyn s ARG 781 Ca 0.34 -1.34 -0.19 0.00 -0.52 0.00 0.00 55.73 54.02 1jyn s ARG 781 Cb -0.13 -0.33 -0.03 0.00 0.52 0.00 0.00 34.95 34.99 1jyn s ARG 781 CO 0.18 0.01 1.28 -0.51 0.02 0.00 0.00 175.30 176.28 1jyn s ASP 782 N -3.00 5.03 -0.04 0.23 1.11 -1.26 0.16 116.67 118.91 1jyn s ASP 782 Ca 0.12 2.57 0.00 0.00 0.18 0.00 0.00 52.55 55.42 1jyn s ASP 782 Cb 0.04 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.44 1jyn s ASP 782 CO -0.03 -1.71 -0.00 -1.58 1.18 0.00 0.00 175.17 173.02 1jyn s GLN 783 N -3.21 0.43 0.00 8.23 0.74 0.48 -4.74 119.66 121.59 1jyn s GLN 783 Ca 0.77 0.07 0.00 0.00 0.05 0.00 0.00 55.36 56.25 1jyn s GLN 783 Cb -0.36 -0.64 0.00 0.00 1.10 0.00 0.00 33.01 33.11 1jyn s GLN 783 CO 0.39 -0.17 0.68 1.19 -0.55 0.00 0.00 175.29 176.84 1jyn n PHE 784 N 4.39 0.00 -4.47 1.67 3.72 -1.26 -1.58 117.46 119.93 1jyn n PHE 784 Ca -0.21 -0.21 -0.23 0.00 -0.05 0.00 0.00 57.45 56.75 1jyn n PHE 784 Cb 0.50 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.92 1jyn n PHE 784 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1jyn s THR 785 N -0.43 1.76 0.07 4.37 -4.23 -1.26 -2.90 115.64 113.02 1jyn s THR 785 Ca 0.00 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.40 1jyn s THR 785 Cb 0.00 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1jyn s THR 785 CO 0.00 -0.23 -0.07 0.00 -0.54 0.00 0.00 174.62 173.78 1jyn s ARG 786 N -3.71 0.66 -0.09 3.99 1.70 -1.26 -4.75 118.95 115.49 1jyn s ARG 786 Ca 0.31 -1.03 -0.29 0.00 -0.47 0.00 0.00 55.73 54.25 1jyn s ARG 786 Cb 0.04 -0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.14 1jyn s ARG 786 CO 0.14 0.01 1.75 0.00 -1.08 0.00 0.00 175.30 176.12 1jyn s ALA 787 N -2.45 3.46 0.22 7.88 0.00 -1.26 -4.86 121.76 124.75 1jyn s ALA 787 Ca 0.00 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.54 1jyn s ALA 787 Cb -0.03 -3.82 -0.13 0.00 0.00 0.00 0.00 23.12 19.15 1jyn s ALA 787 CO -0.02 -1.67 1.59 -0.35 0.00 0.00 0.00 175.76 175.31 1jyn n PRO 788 N 7.46 2.44 -1.58 0.00 -0.04 -1.26 -1.35 135.00 140.67 1jyn n PRO 788 Ca 0.19 0.87 -0.29 0.00 -0.04 0.00 0.00 63.50 64.23 1jyn n PRO 788 Cb 0.43 -2.65 0.12 0.00 -0.04 0.00 0.00 33.50 31.36 1jyn n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jyn s LEU 789 N 0.48 2.20 0.28 1.53 1.43 -1.26 -4.57 118.68 118.76 1jyn s LEU 789 Ca 0.72 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1jyn s LEU 789 Cb -0.58 -3.43 0.48 0.00 0.03 0.00 0.00 46.19 42.68 1jyn s LEU 789 CO 0.41 -2.34 1.87 0.44 0.23 0.00 0.00 176.35 176.96 1jyn h ASP 790 N -1.35 0.99 0.60 2.29 3.32 -1.87 0.50 116.42 120.90 1jyn h ASP 790 Ca -0.49 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 1jyn h ASP 790 Cb 1.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1jyn h ASP 790 CO 0.62 0.59 -0.18 0.78 -1.72 0.00 0.00 179.24 179.33 1jyn h ASN 791 N 1.10 0.00 0.97 6.45 2.35 -1.85 0.26 115.58 124.86 1jyn h ASN 791 Ca 0.46 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.05 1jyn h ASN 791 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1jyn h ASN 791 CO -0.21 0.18 -0.75 0.44 -1.65 0.00 0.00 177.43 175.44 1jyn h ASP 792 N 0.00 0.00 0.14 5.81 3.32 -1.25 -3.35 116.42 121.09 1jyn h ASP 792 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 1jyn h ASP 792 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1jyn h ASP 792 CO 0.02 0.75 -1.98 0.40 -1.72 0.00 0.00 179.24 176.72 1jyn h ILE 793 N 0.00 0.65 0.00 0.35 2.04 -0.79 0.15 117.51 119.90 1jyn h ILE 793 Ca -0.01 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1jyn h ILE 793 Cb 1.44 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1jyn h ILE 793 CO 0.10 0.90 0.00 0.61 0.00 0.00 0.00 178.15 179.75 1jyn n GLY 794 N 1.98 2.96 0.39 5.37 0.00 0.86 -1.34 105.19 115.42 1jyn n GLY 794 Ca -0.31 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.51 1jyn n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jyn n VAL 795 N 0.00 0.00 -1.90 1.61 0.24 -1.26 -4.91 118.33 112.11 1jyn n VAL 795 Ca 0.00 -0.21 -0.39 0.00 -2.04 0.00 0.00 64.34 61.71 1jyn n VAL 795 Cb 0.00 0.34 0.02 0.00 -1.47 0.00 0.00 33.84 32.72 1jyn n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jyn s SER 796 N -2.02 5.79 0.03 -1.34 0.15 -0.45 -4.82 113.70 111.04 1jyn s SER 796 Ca 0.39 2.74 -0.15 0.00 0.70 0.00 0.00 55.95 59.63 1jyn s SER 796 Cb 0.21 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 1jyn s SER 796 CO 0.35 -1.21 0.34 -1.61 1.20 0.00 0.00 173.24 172.30 1jyn s GLU 797 N -2.59 0.81 0.29 5.44 2.02 -0.70 -4.92 118.70 119.05 1jyn s GLU 797 Ca 0.64 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 55.26 1jyn s GLU 797 Cb -0.40 0.36 0.73 0.00 0.10 0.00 0.00 34.13 34.92 1jyn s GLU 797 CO 0.49 -0.26 1.66 0.00 0.02 0.00 0.00 175.26 177.18 1jyn h ALA 798 N 3.29 1.35 -0.01 5.21 0.00 -1.99 0.55 119.26 127.65 1jyn h ALA 798 Ca -0.31 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jyn h ALA 798 Cb 1.19 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1jyn h ALA 798 CO 0.44 -0.43 -0.09 0.25 0.00 0.00 0.00 179.25 179.41 1jyn n THR 799 N -5.16 0.00 -2.81 0.00 -2.24 -1.26 -4.44 114.28 98.37 1jyn n THR 799 Ca 0.22 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1jyn n THR 799 Cb 0.68 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1jyn n THR 799 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jyn s ARG 800 N -2.29 1.06 0.38 -0.78 0.52 0.18 -5.13 118.95 112.89 1jyn s ARG 800 Ca 0.33 -1.10 -0.27 0.00 -0.52 0.00 0.00 55.73 54.17 1jyn s ARG 800 Cb 0.20 -0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.46 1jyn s ARG 800 CO 0.43 -1.33 1.26 0.42 0.02 0.00 0.00 175.30 176.10 1jyn s ILE 801 N 0.86 2.82 -0.58 1.52 -1.09 -0.38 -1.71 121.20 122.64 1jyn s ILE 801 Ca 0.30 0.76 -0.05 0.00 -2.23 0.00 0.00 60.65 59.42 1jyn s ILE 801 Cb 0.00 -3.45 0.15 0.00 -1.58 0.00 0.00 42.46 37.58 1jyn s ILE 801 CO -0.06 0.13 0.41 -0.62 -1.23 0.00 0.00 174.94 173.57 1jyn s ASP 802 N -0.77 5.52 0.36 3.58 -1.08 -1.26 -4.87 116.67 118.15 1jyn s ASP 802 Ca 0.54 -2.48 0.20 0.00 -0.52 0.00 0.00 52.55 50.28 1jyn s ASP 802 Cb -0.36 -1.92 1.07 0.00 -1.46 0.00 0.00 42.92 40.24 1jyn s ASP 802 CO 0.47 -0.50 1.56 1.55 0.52 0.00 0.00 175.17 178.78 1jyn h PRO 803 N 7.61 0.00 0.00 4.34 0.13 -1.95 -1.23 132.00 140.90 1jyn h PRO 803 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1jyn h PRO 803 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1jyn h PRO 803 CO 0.75 0.00 -0.51 -0.97 -0.23 0.00 0.00 178.00 177.04 1jyn h ASN 804 N 0.00 0.00 -3.96 1.44 -1.24 -1.96 -3.37 115.58 106.50 1jyn h ASN 804 Ca 0.00 -0.02 -0.54 0.00 0.71 0.00 0.00 56.30 56.45 1jyn h ASN 804 Cb 0.27 0.00 0.11 0.00 0.73 0.00 0.00 38.32 39.43 1jyn h ASN 804 CO 0.00 0.01 0.70 0.00 -1.29 0.00 0.00 177.43 176.85 1jyn s ALA 805 N -3.27 3.36 0.25 1.57 0.00 -0.46 -4.75 121.76 118.45 1jyn s ALA 805 Ca 0.04 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.41 1jyn s ALA 805 Cb 0.08 -3.57 0.47 0.00 0.00 0.00 0.00 23.12 20.11 1jyn s ALA 805 CO 0.73 -1.05 1.75 -1.49 0.00 0.00 0.00 175.76 175.70 1jyn h TRP 806 N 2.66 0.64 -1.00 0.00 4.06 -1.79 -0.76 115.95 119.77 1jyn h TRP 806 Ca -0.50 0.03 0.07 0.00 2.06 0.00 0.00 58.89 60.54 1jyn h TRP 806 Cb 1.25 -0.17 -0.07 0.00 -1.00 0.00 0.00 29.16 29.18 1jyn h TRP 806 CO 0.52 0.14 0.65 -0.24 -3.56 0.00 0.00 178.44 175.94 1jyn h VAL 807 N 0.55 1.09 -0.04 1.49 3.04 -1.05 -0.77 116.25 120.56 1jyn h VAL 807 Ca 0.43 -0.40 -0.17 0.00 -1.01 0.00 0.00 66.70 65.55 1jyn h VAL 807 Cb 0.60 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 1jyn h VAL 807 CO -0.37 0.21 -0.72 -0.33 -1.01 0.00 0.00 177.57 175.35 1jyn h GLU 808 N 1.17 0.22 -0.17 4.17 4.39 -1.46 -0.75 114.58 122.14 1jyn h GLU 808 Ca 0.43 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1jyn h GLU 808 Cb 0.17 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1jyn h GLU 808 CO -0.17 0.85 0.06 0.00 -1.16 0.00 0.00 179.01 178.60 1jyn h ARG 809 N 0.15 0.26 -0.77 2.33 3.08 -0.30 0.26 114.38 119.39 1jyn h ARG 809 Ca -0.02 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1jyn h ARG 809 Cb 1.28 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1jyn h ARG 809 CO 0.11 0.35 0.34 -1.49 -1.07 0.00 0.00 179.97 178.21 1jyn h TRP 810 N 0.11 1.14 -0.06 3.04 6.55 -1.08 -1.65 115.95 124.00 1jyn h TRP 810 Ca 0.06 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 59.82 1jyn h TRP 810 Cb 0.19 -0.35 -0.00 0.00 -0.86 0.00 0.00 29.16 28.14 1jyn h TRP 810 CO -0.01 0.85 0.02 0.87 -1.05 0.00 0.00 178.44 179.12 1jyn h LYS 811 N 1.10 0.09 -0.16 0.49 1.57 -0.87 -0.99 116.57 117.80 1jyn h LYS 811 Ca 0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1jyn h LYS 811 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1jyn h LYS 811 CO -0.03 0.22 0.05 0.00 -0.57 0.00 0.00 179.45 179.12 1jyn h ALA 812 N 0.87 1.79 0.00 3.86 0.00 -0.30 -0.88 119.26 124.60 1jyn h ALA 812 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jyn h ALA 812 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jyn h ALA 812 CO -0.00 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1jyn n ALA 813 N -2.51 2.22 -0.42 0.00 0.00 -0.64 -4.89 120.51 114.27 1jyn n ALA 813 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1jyn n ALA 813 Cb 0.12 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1jyn n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyn n GLY 814 N 1.22 0.78 0.37 0.00 0.00 -0.33 -4.84 105.19 102.38 1jyn n GLY 814 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1jyn n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jyn h HIS 815 N 0.00 0.87 0.00 1.61 3.86 -1.40 0.97 115.15 121.06 1jyn h HIS 815 Ca 0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1jyn h HIS 815 Cb 0.00 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1jyn h HIS 815 CO 0.00 0.38 -0.38 1.88 0.86 0.00 0.00 177.93 180.67 1jyn h TYR 816 N 0.79 0.00 -0.00 2.45 0.05 -1.86 -3.34 116.97 115.06 1jyn h TYR 816 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1jyn h TYR 816 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1jyn h TYR 816 CO -0.00 0.21 -0.71 1.04 -1.05 0.00 0.00 178.16 177.64 1jyn n GLN 817 N -3.08 1.06 -1.93 4.88 6.02 -0.59 -5.00 117.38 118.74 1jyn n GLN 817 Ca 0.02 -0.33 -0.39 0.00 -0.01 0.00 0.00 57.00 56.29 1jyn n GLN 817 Cb 0.62 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.51 1jyn n GLN 817 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jyn s ALA 818 N -2.57 3.07 -0.03 -1.58 0.00 0.23 -5.01 121.76 115.87 1jyn s ALA 818 Ca 0.10 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1jyn s ALA 818 Cb 0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1jyn s ALA 818 CO 0.67 -1.08 -0.14 -1.83 0.00 0.00 0.00 175.76 173.39 1jyn s GLU 819 N -2.58 2.47 0.20 0.00 -1.05 -1.25 -4.91 118.70 111.58 1jyn s GLU 819 Ca 0.64 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 1jyn s GLU 819 Cb -0.39 -2.38 -0.08 0.00 -0.44 0.00 0.00 34.13 30.84 1jyn s GLU 819 CO 0.48 0.61 1.25 0.00 0.95 0.00 0.00 175.26 178.56 1jyn s ALA 820 N -0.79 3.48 -0.14 -0.84 0.00 -1.26 -3.27 121.76 118.95 1jyn s ALA 820 Ca 0.12 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 1jyn s ALA 820 Cb -0.11 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1jyn s ALA 820 CO 0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 175.76 175.22 1jyn s ALA 821 N -0.03 2.76 0.05 0.00 0.00 0.76 -4.93 121.76 120.36 1jyn s ALA 821 Ca 0.54 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 1jyn s ALA 821 Cb -0.35 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1jyn s ALA 821 CO 0.38 0.25 0.87 -1.17 0.00 0.00 0.00 175.76 176.09 1jyn s LEU 822 N 0.30 4.44 -0.07 0.00 2.96 -1.26 -0.86 118.68 124.19 1jyn s LEU 822 Ca -0.08 1.58 0.09 0.00 -0.22 0.00 0.00 54.13 55.51 1jyn s LEU 822 Cb -0.15 -3.41 -0.14 0.00 0.50 0.00 0.00 46.19 43.00 1jyn s LEU 822 CO 0.05 -0.08 0.11 0.18 -1.32 0.00 0.00 176.35 175.28 1jyn n LEU 823 N 3.12 0.00 -3.64 -0.68 4.77 0.37 -4.94 117.00 116.02 1jyn n LEU 823 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 1jyn n LEU 823 Cb 0.50 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1jyn n LEU 823 CO 0.49 0.15 0.58 -1.58 -1.33 0.00 0.00 177.39 175.71 1jyn s GLN 824 N -2.42 0.62 -0.26 3.23 0.74 -0.99 -4.92 119.66 115.67 1jyn s GLN 824 Ca -0.04 0.81 -0.01 0.00 0.05 0.00 0.00 55.36 56.16 1jyn s GLN 824 Cb 0.04 0.26 0.13 0.00 1.10 0.00 0.00 33.01 34.55 1jyn s GLN 824 CO 0.42 -0.09 0.34 0.00 -0.55 0.00 0.00 175.29 175.41 1jyn s THR 826 N 2.47 1.17 -0.02 0.00 -4.23 0.12 -4.97 115.64 110.18 1jyn s THR 826 Ca 0.10 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1jyn s THR 826 Cb -0.15 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 1jyn s THR 826 CO -0.22 -0.71 -0.14 0.00 -0.54 0.00 0.00 174.62 173.01 1jyn s ALA 827 N -3.18 1.19 0.05 3.99 0.00 -1.26 -1.33 121.76 121.21 1jyn s ALA 827 Ca 0.15 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1jyn s ALA 827 Cb 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1jyn s ALA 827 CO 0.01 0.24 -0.10 -0.51 0.00 0.00 0.00 175.76 175.40 1jyn s ASP 828 N -0.07 1.08 -0.14 0.00 1.01 -0.25 -4.99 116.67 113.32 1jyn s ASP 828 Ca 0.00 -0.53 -0.03 0.00 0.71 0.00 0.00 52.55 52.70 1jyn s ASP 828 Cb -0.08 -0.00 -0.03 0.00 1.01 0.00 0.00 42.92 43.82 1jyn s ASP 828 CO 0.01 -0.14 -0.02 -0.89 0.21 0.00 0.00 175.17 174.33 1jyn s THR 829 N -1.24 4.06 0.56 -1.27 2.01 -1.26 -0.13 115.64 118.38 1jyn s THR 829 Ca -0.07 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1jyn s THR 829 Cb -0.09 -2.76 0.05 0.00 0.01 0.00 0.00 72.50 69.71 1jyn s THR 829 CO 0.01 0.52 0.47 -0.76 -0.69 0.00 0.00 174.62 174.17 1jyn s LEU 830 N -0.01 2.68 0.48 4.42 1.43 0.21 -4.98 118.68 122.92 1jyn s LEU 830 Ca 0.02 -1.24 0.14 0.00 -1.03 0.00 0.00 54.13 52.02 1jyn s LEU 830 Cb -0.13 -1.16 1.13 0.00 0.03 0.00 0.00 46.19 46.05 1jyn s LEU 830 CO 0.02 -1.20 2.08 0.00 0.23 0.00 0.00 176.35 177.49 1jyn h ALA 831 N 0.63 1.86 0.00 4.21 0.00 -2.03 -3.19 119.26 120.74 1jyn h ALA 831 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jyn h ALA 831 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jyn h ALA 831 CO 0.54 0.11 -0.20 -0.40 0.00 0.00 0.00 179.25 179.30 1jyn n ASP 832 N -4.46 0.77 -3.56 0.00 5.75 -1.26 -5.04 116.55 108.75 1jyn n ASP 832 Ca -0.02 -1.98 -0.04 0.00 -0.01 0.00 0.00 54.79 52.74 1jyn n ASP 832 Cb 0.14 -0.17 -0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1jyn n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jyn s ALA 833 N -0.75 -1.56 -0.05 2.12 0.00 -1.21 -2.96 121.76 117.36 1jyn s ALA 833 Ca 0.07 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1jyn s ALA 833 Cb 0.06 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1jyn s ALA 833 CO 0.01 -1.05 -0.18 0.08 0.00 0.00 0.00 175.76 174.62 1jyn s VAL 834 N -2.85 2.76 -0.25 0.00 1.01 0.45 -0.62 120.40 120.90 1jyn s VAL 834 Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1jyn s VAL 834 Cb -0.02 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.34 1jyn s VAL 834 CO 0.04 0.58 -0.11 -0.22 0.00 0.00 0.00 175.10 175.40 1jyn s LEU 835 N -0.56 3.24 -0.18 3.92 2.96 0.82 -1.32 118.68 127.56 1jyn s LEU 835 Ca 0.08 -1.18 -0.09 0.00 -0.22 0.00 0.00 54.13 52.72 1jyn s LEU 835 Cb -0.11 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1jyn s LEU 835 CO 0.01 -0.16 0.11 -0.63 -1.32 0.00 0.00 176.35 174.36 1jyn s ILE 836 N 1.18 5.23 -0.15 6.68 -1.09 0.42 -1.09 121.20 132.38 1jyn s ILE 836 Ca -0.05 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 1jyn s ILE 836 Cb -0.18 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1jyn s ILE 836 CO -0.06 0.47 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.02 1jyn s THR 837 N 0.18 2.13 0.20 2.92 2.01 -0.44 0.02 115.64 122.65 1jyn s THR 837 Ca 0.07 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1jyn s THR 837 Cb -0.11 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1jyn s THR 837 CO -0.01 0.54 -0.11 0.42 -0.69 0.00 0.00 174.62 174.78 1jyn s THR 838 N 0.90 1.50 -0.15 -0.82 -4.23 -0.35 -0.70 115.64 111.78 1jyn s THR 838 Ca -0.05 -2.14 -0.08 0.00 -1.18 0.00 0.00 61.69 58.24 1jyn s THR 838 Cb -0.15 -2.06 0.06 0.00 1.34 0.00 0.00 72.50 71.69 1jyn s THR 838 CO -0.04 -0.58 0.37 0.00 -0.54 0.00 0.00 174.62 173.83 1jyn s ALA 839 N -3.12 -0.93 0.08 3.99 0.00 -0.23 -1.26 121.76 120.30 1jyn s ALA 839 Ca 0.22 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.62 1jyn s ALA 839 Cb 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1jyn s ALA 839 CO 0.06 -0.25 -0.13 -1.01 0.00 0.00 0.00 175.76 174.43 1jyn s HIS 840 N 1.33 1.14 -0.06 0.00 3.76 0.15 -0.47 115.29 121.14 1jyn s HIS 840 Ca -0.09 -0.50 0.05 0.00 -0.15 0.00 0.00 55.06 54.37 1jyn s HIS 840 Cb -0.09 -0.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.95 1jyn s HIS 840 CO -0.11 0.04 -0.20 0.00 -0.85 0.00 0.00 174.74 173.61 1jyn s ALA 841 N -1.53 2.37 -0.19 -1.40 0.00 -0.04 -0.91 121.76 120.07 1jyn s ALA 841 Ca -0.01 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 1jyn s ALA 841 Cb -0.09 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1jyn s ALA 841 CO 0.02 0.47 0.01 -1.58 0.00 0.00 0.00 175.76 174.68 1jyn s TRP 842 N -0.38 3.09 0.14 0.00 0.51 0.99 -0.17 118.94 123.12 1jyn s TRP 842 Ca 0.03 -0.28 0.05 0.00 -2.12 0.00 0.00 56.10 53.78 1jyn s TRP 842 Cb -0.12 -2.06 -0.04 0.00 -0.81 0.00 0.00 33.47 30.43 1jyn s TRP 842 CO 0.02 -0.10 -0.11 -0.65 -0.51 0.00 0.00 176.95 175.60 1jyn s GLN 843 N 0.73 1.02 -0.11 4.98 -0.21 -1.20 0.31 119.66 125.17 1jyn s GLN 843 Ca 0.01 -1.38 -0.04 0.00 0.02 0.00 0.00 55.36 53.97 1jyn s GLN 843 Cb -0.14 -0.65 0.06 0.00 1.00 0.00 0.00 33.01 33.28 1jyn s GLN 843 CO 0.02 0.09 0.23 -1.58 -2.12 0.00 0.00 175.29 171.93 1jyn s HIS 844 N -3.01 -0.33 -1.50 0.91 2.46 0.27 -3.82 115.29 110.26 1jyn s HIS 844 Ca 0.14 0.83 -0.03 0.00 0.47 0.00 0.00 55.06 56.47 1jyn s HIS 844 Cb 0.01 -0.09 0.03 0.00 -0.13 0.00 0.00 32.58 32.39 1jyn s HIS 844 CO 0.01 -0.31 0.31 1.04 -2.47 0.00 0.00 174.74 173.32 1jyn n GLN 845 N 5.17 -2.36 0.00 2.88 6.02 -1.26 0.62 117.38 128.45 1jyn n GLN 845 Ca -0.09 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1jyn n GLN 845 Cb 0.50 -4.26 0.00 0.00 1.02 0.00 0.00 30.24 27.50 1jyn n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jyn n GLY 846 N -2.10 2.25 3.78 1.08 0.00 -1.26 -5.01 105.19 103.92 1jyn n GLY 846 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1jyn n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jyn s LYS 847 N -0.36 3.77 -0.45 1.61 2.47 0.20 -5.03 119.74 121.96 1jyn s LYS 847 Ca 0.00 -0.20 -0.24 0.00 -1.56 0.00 0.00 55.97 53.97 1jyn s LYS 847 Cb 0.00 -3.26 0.03 0.00 -1.46 0.00 0.00 37.83 33.13 1jyn s LYS 847 CO 0.00 0.53 0.81 0.99 0.16 0.00 0.00 175.35 177.84 1jyn s THR 848 N -0.32 4.61 -0.14 3.43 2.01 -1.26 0.95 115.64 124.92 1jyn s THR 848 Ca 0.11 0.49 -0.26 0.00 0.31 0.00 0.00 61.69 62.34 1jyn s THR 848 Cb -0.12 -4.34 -0.23 0.00 0.01 0.00 0.00 72.50 67.82 1jyn s THR 848 CO 0.01 -0.74 0.67 -0.07 -0.69 0.00 0.00 174.62 173.80 1jyn h LEU 849 N 10.22 0.00 -7.78 4.42 3.38 -0.51 -3.42 115.31 121.62 1jyn h LEU 849 Ca -0.25 -0.88 -0.15 0.00 0.09 0.00 0.00 57.88 56.69 1jyn h LEU 849 Cb 1.08 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 1jyn h LEU 849 CO 0.97 0.98 -0.53 -0.36 0.09 0.00 0.00 178.44 179.60 1jyn s PHE 850 N -2.17 0.06 -0.11 1.13 0.08 -1.14 -1.50 117.98 114.33 1jyn s PHE 850 Ca -0.18 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.72 1jyn s PHE 850 Cb -0.02 -0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.38 1jyn s PHE 850 CO 0.62 -0.26 -0.16 0.42 -0.10 0.00 0.00 175.22 175.75 1jyn s ILE 851 N -1.30 1.55 -0.22 0.64 1.01 -0.55 -0.00 121.20 122.33 1jyn s ILE 851 Ca -0.14 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1jyn s ILE 851 Cb -0.08 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 41.00 1jyn s ILE 851 CO 0.01 0.45 -0.09 -0.55 0.00 0.00 0.00 174.94 174.76 1jyn s SER 852 N 0.91 4.03 -0.16 3.58 0.15 -0.09 -0.26 113.70 121.87 1jyn s SER 852 Ca -0.08 -0.70 -0.02 0.00 0.70 0.00 0.00 55.95 55.84 1jyn s SER 852 Cb -0.15 -1.64 -0.02 0.00 -1.71 0.00 0.00 66.02 62.50 1jyn s SER 852 CO -0.01 -0.07 -0.07 -0.13 1.20 0.00 0.00 173.24 174.16 1jyn s ARG 853 N 1.35 3.50 0.14 5.44 0.52 -0.53 -0.68 118.95 128.70 1jyn s ARG 853 Ca 0.03 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 1jyn s ARG 853 Cb -0.15 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 1jyn s ARG 853 CO -0.06 0.12 0.00 0.15 0.02 0.00 0.00 175.30 175.54 1jyn s LYS 854 N 0.63 0.98 0.00 3.54 1.02 -0.38 -1.05 119.74 124.47 1jyn s LYS 854 Ca -0.04 -1.45 0.01 0.00 0.02 0.00 0.00 55.97 54.51 1jyn s LYS 854 Cb -0.15 -0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.08 1jyn s LYS 854 CO 0.03 -0.15 -0.04 0.95 -0.92 0.00 0.00 175.35 175.21 1jyn s THR 855 N -3.78 0.33 -0.11 2.17 -4.23 -0.91 -1.21 115.64 107.90 1jyn s THR 855 Ca 0.21 -0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1jyn s THR 855 Cb 0.07 -0.29 0.01 0.00 1.34 0.00 0.00 72.50 73.62 1jyn s THR 855 CO 0.01 0.04 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.63 1jyn s TYR 856 N -0.22 2.20 -0.18 3.99 1.51 0.10 -0.44 117.35 124.32 1jyn s TYR 856 Ca 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.06 1jyn s TYR 856 Cb -0.02 -1.53 0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1jyn s TYR 856 CO -0.00 -0.47 -0.08 0.50 -1.11 0.00 0.00 175.55 174.39 1jyn s ARG 857 N 0.75 1.77 -0.21 -0.62 3.52 -0.06 -0.44 118.95 123.67 1jyn s ARG 857 Ca -0.11 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.77 1jyn s ARG 857 Cb -0.16 -2.20 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 1jyn s ARG 857 CO 0.01 -0.42 0.01 0.42 -0.81 0.00 0.00 175.30 174.52 1jyn s ILE 858 N 1.51 4.06 0.54 4.11 -1.09 -0.43 -0.87 121.20 129.02 1jyn s ILE 858 Ca 0.00 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 1jyn s ILE 858 Cb -0.16 -2.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1jyn s ILE 858 CO -0.08 0.42 0.25 1.51 -1.23 0.00 0.00 174.94 175.81 1jyn s ASP 859 N 1.04 4.44 0.64 3.58 1.47 -0.98 -0.41 116.67 126.45 1jyn s ASP 859 Ca 0.02 -1.41 0.38 0.00 1.18 0.00 0.00 52.55 52.72 1jyn s ASP 859 Cb -0.14 0.50 2.13 0.00 -0.34 0.00 0.00 42.92 45.06 1jyn s ASP 859 CO 0.02 -1.03 2.28 1.23 0.68 0.00 0.00 175.17 178.35 1jyn h GLY 860 N 0.96 0.00 1.89 2.12 0.00 -1.66 0.16 103.07 106.54 1jyn h GLY 860 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1jyn h GLY 860 CO 0.63 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 1jyn n SER 861 N -3.34 0.00 0.00 0.19 3.41 -1.26 -4.59 113.62 108.03 1jyn n SER 861 Ca -0.02 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1jyn n SER 861 Cb 0.13 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1jyn n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jyn n GLY 862 N 1.44 0.68 3.78 5.00 0.00 0.56 -5.02 105.19 111.64 1jyn n GLY 862 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1jyn n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jyn s GLN 863 N -0.69 4.27 -0.30 1.61 -0.21 -1.26 -4.62 119.66 118.46 1jyn s GLN 863 Ca 0.00 0.74 -0.07 0.00 0.02 0.00 0.00 55.36 56.05 1jyn s GLN 863 Cb 0.00 -3.30 0.01 0.00 1.00 0.00 0.00 33.01 30.73 1jyn s GLN 863 CO 0.00 0.49 0.08 1.41 -2.12 0.00 0.00 175.29 175.15 1jyn s MET 864 N -0.61 3.01 -0.25 2.91 -2.45 0.10 -2.31 119.30 119.70 1jyn s MET 864 Ca 0.30 -0.91 -0.16 0.00 -1.25 0.00 0.00 55.69 53.67 1jyn s MET 864 Cb -0.19 -3.38 -0.04 0.00 1.25 0.00 0.00 34.83 32.48 1jyn s MET 864 CO 0.18 -0.48 0.41 0.00 1.05 0.00 0.00 175.02 176.19 1jyn s ALA 865 N 1.48 3.57 -0.20 4.11 0.00 -0.05 -0.29 121.76 130.37 1jyn s ALA 865 Ca 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1jyn s ALA 865 Cb -0.18 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1jyn s ALA 865 CO 0.02 -0.56 0.01 0.42 0.00 0.00 0.00 175.76 175.65 1jyn s ILE 866 N 1.88 4.04 -0.10 0.00 1.01 0.32 -0.88 121.20 127.47 1jyn s ILE 866 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 1jyn s ILE 866 Cb -0.15 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1jyn s ILE 866 CO 0.09 0.43 -0.08 -0.89 0.00 0.00 0.00 174.94 174.49 1jyn s THR 867 N 0.98 3.58 -0.04 2.92 2.01 0.42 -1.19 115.64 124.33 1jyn s THR 867 Ca 0.02 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1jyn s THR 867 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1jyn s THR 867 CO 0.02 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 1jyn s VAL 868 N -0.23 0.94 -0.15 3.82 1.01 0.14 -2.13 120.40 123.79 1jyn s VAL 868 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1jyn s VAL 868 Cb -0.13 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.45 1jyn s VAL 868 CO 0.03 0.29 0.00 -1.81 0.00 0.00 0.00 175.10 173.62 1jyn s ASP 869 N 0.34 2.51 -0.03 3.32 1.01 -0.22 -1.35 116.67 122.25 1jyn s ASP 869 Ca -0.07 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.62 1jyn s ASP 869 Cb -0.11 -0.63 -0.03 0.00 1.01 0.00 0.00 42.92 43.16 1jyn s ASP 869 CO 0.01 -0.25 0.01 -0.69 0.21 0.00 0.00 175.17 174.47 1jyn s VAL 870 N 1.84 4.25 -0.07 -1.27 1.01 -0.12 -1.45 120.40 124.59 1jyn s VAL 870 Ca 0.01 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1jyn s VAL 870 Cb -0.15 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1jyn s VAL 870 CO -0.07 0.47 -0.17 -1.61 0.00 0.00 0.00 175.10 173.72 1jyn s GLU 871 N -1.30 2.73 -0.17 2.72 2.02 0.64 -1.43 118.70 123.92 1jyn s GLU 871 Ca 0.17 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1jyn s GLU 871 Cb -0.11 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.75 1jyn s GLU 871 CO 0.07 0.46 -0.20 0.08 0.02 0.00 0.00 175.26 175.69 1jyn s VAL 872 N -0.31 2.00 0.20 2.63 1.01 0.10 -1.48 120.40 124.55 1jyn s VAL 872 Ca 0.02 -0.91 -0.33 0.00 0.00 0.00 0.00 61.98 60.76 1jyn s VAL 872 Cb -0.13 -1.80 -0.14 0.00 0.00 0.00 0.00 36.38 34.31 1jyn s VAL 872 CO 0.03 0.53 1.47 0.00 0.00 0.00 0.00 175.10 177.13 1jyn n ALA 873 N 4.51 1.06 -0.00 5.51 0.00 -0.56 -4.60 120.51 126.43 1jyn n ALA 873 Ca -0.20 0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1jyn n ALA 873 Cb 0.50 -2.29 0.56 0.00 0.00 0.00 0.00 19.45 18.22 1jyn n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jyn h SER 874 N 4.91 0.24 -0.32 0.00 4.64 -1.93 -1.99 113.55 119.08 1jyn h SER 874 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1jyn h SER 874 Cb 1.27 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1jyn h SER 874 CO 0.81 0.15 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 1jyn n ASP 875 N -4.46 2.50 -4.90 4.97 5.75 -1.26 -4.88 116.55 114.26 1jyn n ASP 875 Ca 0.07 -1.88 -0.30 0.00 -0.01 0.00 0.00 54.79 52.67 1jyn n ASP 875 Cb 0.35 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 1jyn n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1jyn s THR 876 N -1.58 5.13 0.38 2.12 -1.32 -0.75 -5.03 115.64 114.60 1jyn s THR 876 Ca 0.34 -0.02 -0.27 0.00 -1.21 0.00 0.00 61.69 60.54 1jyn s THR 876 Cb 0.19 -3.66 -0.11 0.00 -1.51 0.00 0.00 72.50 67.41 1jyn s THR 876 CO 0.27 -0.07 1.31 -0.81 -2.21 0.00 0.00 174.62 173.11 1jyn n PRO 877 N -0.26 2.12 -1.74 7.08 -0.04 -1.26 -4.85 135.00 136.05 1jyn n PRO 877 Ca -0.03 0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 63.77 1jyn n PRO 877 Cb 0.53 -2.41 -0.02 0.00 -0.04 0.00 0.00 33.50 31.56 1jyn n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jyn n HIS 878 N 0.10 2.85 -2.13 0.54 8.25 -1.26 -4.93 115.22 118.63 1jyn n HIS 878 Ca 0.05 0.26 -0.32 0.00 -0.26 0.00 0.00 57.72 57.45 1jyn n HIS 878 Cb 0.38 -2.59 -0.00 0.00 1.12 0.00 0.00 29.99 28.90 1jyn n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jyn s PRO 879 N -0.55 3.48 0.44 -0.41 0.04 -1.26 -4.88 135.00 131.86 1jyn s PRO 879 Ca 0.64 1.13 0.14 0.00 0.04 0.00 0.00 61.00 62.95 1jyn s PRO 879 Cb -0.50 -2.06 0.97 0.00 0.04 0.00 0.00 34.50 32.95 1jyn s PRO 879 CO 0.49 -0.67 1.97 0.00 0.04 0.00 0.00 177.00 178.83 1jyn h ALA 880 N 0.53 1.66 -2.68 8.56 0.00 -1.89 -3.42 119.26 122.03 1jyn h ALA 880 Ca -0.47 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.33 1jyn h ALA 880 Cb 1.21 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 1jyn h ALA 880 CO 0.59 0.26 0.34 -0.98 0.00 0.00 0.00 179.25 179.45 1jyn s ARG 881 N -4.59 1.24 -0.31 0.00 1.70 -1.21 0.33 118.95 116.11 1jyn s ARG 881 Ca -0.04 -0.57 -0.01 0.00 -0.47 0.00 0.00 55.73 54.65 1jyn s ARG 881 Cb 0.16 0.50 0.10 0.00 -0.57 0.00 0.00 34.95 35.14 1jyn s ARG 881 CO 0.70 -0.56 0.11 0.42 -1.08 0.00 0.00 175.30 174.89 1jyn s ILE 882 N -3.53 0.79 0.00 4.99 1.01 -0.14 -4.20 121.20 120.13 1jyn s ILE 882 Ca 0.06 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1jyn s ILE 882 Cb -0.02 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1jyn s ILE 882 CO -0.05 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 174.81 1jyn n GLY 883 N 4.84 2.97 3.36 6.18 0.00 -0.61 -0.68 105.19 121.24 1jyn n GLY 883 Ca -0.02 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 1jyn n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 884 N 0.00 2.49 0.10 0.99 1.43 0.11 -0.39 118.68 123.41 1jyn s LEU 884 Ca 0.00 -1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1jyn s LEU 884 Cb 0.00 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.65 1jyn s LEU 884 CO 0.00 -0.28 0.26 0.54 0.23 0.00 0.00 176.35 177.10 1jyn s ASN 885 N -3.34 -0.00 0.06 2.29 4.22 0.12 -1.68 114.94 116.61 1jyn s ASN 885 Ca 0.25 -0.52 -0.26 0.00 -2.14 0.00 0.00 52.86 50.19 1jyn s ASN 885 Cb 0.02 0.38 0.09 0.00 1.28 0.00 0.00 41.25 43.01 1jyn s ASN 885 CO 0.08 -0.75 0.74 0.00 -2.04 0.00 0.00 177.10 175.12 1jyn s GLN 887 N -3.11 2.95 0.49 0.00 0.74 -1.23 -0.62 119.66 118.88 1jyn s GLN 887 Ca 0.01 -0.98 -0.18 0.00 0.05 0.00 0.00 55.36 54.26 1jyn s GLN 887 Cb -0.01 -3.59 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 1jyn s GLN 887 CO -0.08 -0.59 0.97 -0.51 -0.55 0.00 0.00 175.29 174.53 1jyn s LEU 888 N 1.53 3.73 0.37 3.68 1.43 0.17 -0.23 118.68 129.36 1jyn s LEU 888 Ca 0.02 1.60 0.17 0.00 -1.03 0.00 0.00 54.13 54.89 1jyn s LEU 888 Cb -0.18 -4.51 0.71 0.00 0.03 0.00 0.00 46.19 42.23 1jyn s LEU 888 CO 0.05 -0.51 1.77 0.00 0.23 0.00 0.00 176.35 177.89 1jyn h ALA 889 N 1.24 1.12 -2.41 4.21 0.00 -1.19 -0.68 119.26 121.56 1jyn h ALA 889 Ca -0.47 -0.36 -0.51 0.00 0.00 0.00 0.00 54.91 53.56 1jyn h ALA 889 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1jyn h ALA 889 CO 0.61 0.49 -0.09 -1.14 0.00 0.00 0.00 179.25 179.13 1jyn s GLN 890 N -3.82 3.66 -0.24 0.00 0.74 -1.26 -4.25 119.66 114.48 1jyn s GLN 890 Ca -0.01 0.10 0.02 0.00 0.05 0.00 0.00 55.36 55.51 1jyn s GLN 890 Cb 0.12 -2.60 0.06 0.00 1.10 0.00 0.00 33.01 31.70 1jyn s GLN 890 CO 0.70 0.17 -0.09 0.08 -0.55 0.00 0.00 175.29 175.59 1jyn s VAL 891 N -2.14 1.90 0.30 1.34 1.01 -1.26 -3.49 120.40 118.06 1jyn s VAL 891 Ca 0.45 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1jyn s VAL 891 Cb -0.11 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1jyn s VAL 891 CO 0.30 -0.03 0.14 0.00 0.00 0.00 0.00 175.10 175.51 1jyn s ALA 892 N 1.23 3.48 0.15 5.51 0.00 -1.26 -5.05 121.76 125.81 1jyn s ALA 892 Ca -0.07 -1.67 -0.06 0.00 0.00 0.00 0.00 51.96 50.16 1jyn s ALA 892 Cb -0.19 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1jyn s ALA 892 CO -0.06 0.14 1.38 0.93 0.00 0.00 0.00 175.76 178.16 1jyn h GLU 893 N 1.58 0.58 -6.53 0.00 5.08 -2.00 -3.43 114.58 109.87 1jyn h GLU 893 Ca -0.45 -0.47 -0.64 0.00 -1.00 0.00 0.00 59.36 56.80 1jyn h GLU 893 Cb 1.25 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 30.42 1jyn h GLU 893 CO 0.61 1.09 -0.79 1.03 -1.00 0.00 0.00 179.01 179.95 1jyn s ARG 894 N -3.70 1.66 -0.14 2.33 1.81 -1.26 -1.09 118.95 118.56 1jyn s ARG 894 Ca -0.08 -1.49 0.02 0.00 -1.72 0.00 0.00 55.73 52.46 1jyn s ARG 894 Cb 0.10 -1.91 0.01 0.00 -0.45 0.00 0.00 34.95 32.70 1jyn s ARG 894 CO 0.87 0.40 -0.18 0.08 -0.68 0.00 0.00 175.30 175.78 1jyn s VAL 895 N -1.77 1.82 -0.06 3.52 1.01 -0.09 -4.53 120.40 120.30 1jyn s VAL 895 Ca 0.23 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1jyn s VAL 895 Cb -0.08 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1jyn s VAL 895 CO 0.12 0.50 -0.16 0.21 0.00 0.00 0.00 175.10 175.77 1jyn s ASN 896 N 1.05 2.13 0.11 3.32 3.84 -0.76 -1.32 114.94 123.31 1jyn s ASN 896 Ca -0.03 -0.36 -0.13 0.00 0.21 0.00 0.00 52.86 52.55 1jyn s ASN 896 Cb -0.14 -0.83 0.02 0.00 -0.55 0.00 0.00 41.25 39.75 1jyn s ASN 896 CO -0.05 0.10 0.33 -1.66 -2.79 0.00 0.00 177.10 173.02 1jyn s TRP 897 N 0.37 -0.08 -0.35 0.43 -2.14 0.26 0.62 118.94 118.05 1jyn s TRP 897 Ca -0.11 -0.27 -0.02 0.00 2.66 0.00 0.00 56.10 58.36 1jyn s TRP 897 Cb -0.14 0.14 0.07 0.00 -3.10 0.00 0.00 33.47 30.44 1jyn s TRP 897 CO 0.04 -0.64 0.09 -1.17 -2.66 0.00 0.00 176.95 172.61 1jyn s LEU 898 N -2.80 4.49 0.00 -4.66 2.96 0.08 -0.43 118.68 118.33 1jyn s LEU 898 Ca 0.03 -1.60 0.00 0.00 -0.22 0.00 0.00 54.13 52.35 1jyn s LEU 898 Cb 0.03 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1jyn s LEU 898 CO -0.11 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 1jyn n GLY 899 N 4.61 -0.78 3.77 7.98 0.00 -0.79 -0.49 105.19 119.48 1jyn n GLY 899 Ca -0.08 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1jyn n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 900 N 0.00 4.45 0.00 0.99 1.43 -0.92 -2.10 118.68 122.54 1jyn s LEU 900 Ca 0.00 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1jyn s LEU 900 Cb 0.00 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1jyn s LEU 900 CO 0.00 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1jyn n GLY 901 N 0.96 -0.58 0.20 -3.19 0.00 -0.27 -4.46 105.19 97.85 1jyn n GLY 901 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.33 1jyn n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jyn h PRO 902 N 0.00 0.00 -7.42 1.61 0.13 -1.93 -0.37 132.00 124.02 1jyn h PRO 902 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1jyn h PRO 902 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1jyn h PRO 902 CO 0.00 0.26 0.32 -0.65 -0.23 0.00 0.00 178.00 177.70 1jyn s GLN 903 N -3.31 2.37 0.24 0.86 -0.21 -1.26 -4.97 119.66 113.37 1jyn s GLN 903 Ca 0.03 0.06 -0.29 0.00 0.02 0.00 0.00 55.36 55.18 1jyn s GLN 903 Cb 0.08 -2.08 -0.15 0.00 1.00 0.00 0.00 33.01 31.86 1jyn s GLN 903 CO 0.68 -1.23 0.95 -1.91 -2.12 0.00 0.00 175.29 171.65 1jyn n GLU 904 N -3.02 1.01 -3.71 2.91 2.13 -1.26 -4.88 120.64 113.81 1jyn n GLU 904 Ca 0.07 0.36 -0.13 0.00 0.66 0.00 0.00 57.16 58.11 1jyn n GLU 904 Cb 0.59 -1.69 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 1jyn n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1jyn s ASN 905 N -0.50 -0.47 0.29 4.31 2.20 0.14 -4.93 114.94 115.98 1jyn s ASN 905 Ca 0.64 0.87 0.07 0.00 -0.94 0.00 0.00 52.86 53.49 1jyn s ASN 905 Cb -0.79 0.89 -0.06 0.00 -2.00 0.00 0.00 41.25 39.29 1jyn s ASN 905 CO 0.57 -0.19 -0.05 -0.31 -2.94 0.00 0.00 177.10 174.18 1jyn s TYR 906 N 0.10 1.99 0.27 1.54 1.51 -0.93 -3.80 117.35 118.04 1jyn s TYR 906 Ca -0.01 -0.71 -0.01 0.00 -1.01 0.00 0.00 57.07 55.33 1jyn s TYR 906 Cb -0.03 -1.16 0.57 0.00 -0.11 0.00 0.00 41.96 41.23 1jyn s TYR 906 CO 0.01 0.28 1.72 -1.35 -1.11 0.00 0.00 175.55 175.10 1jyn h PRO 907 N 2.23 0.43 -0.65 -1.71 0.11 -1.87 0.27 132.00 130.82 1jyn h PRO 907 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jyn h PRO 907 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jyn h PRO 907 CO 0.68 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 1jyn n ASP 908 N -5.01 3.67 -3.00 -2.05 5.75 -1.26 -4.32 116.55 110.33 1jyn n ASP 908 Ca 0.18 -2.10 -0.15 0.00 -0.01 0.00 0.00 54.79 52.70 1jyn n ASP 908 Cb 0.51 -0.46 0.01 0.00 -1.03 0.00 0.00 41.12 40.14 1jyn n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1jyn n ARG 909 N 1.29 0.92 0.00 0.11 0.63 0.90 -0.95 116.66 119.56 1jyn n ARG 909 Ca 0.22 -2.73 0.00 0.00 -0.92 0.00 0.00 57.85 54.42 1jyn n ARG 909 Cb 0.61 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 32.13 1jyn n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1jyn n LEU 910 N 0.66 0.75 0.03 6.15 -0.00 -0.89 -2.19 117.00 121.52 1jyn n LEU 910 Ca 0.17 -0.75 -0.03 0.00 -0.00 0.00 0.00 56.01 55.40 1jyn n LEU 910 Cb 0.65 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.27 1jyn n LEU 910 CO 0.13 0.19 0.71 0.71 -0.00 0.00 0.00 177.39 179.13 1jyn h THR 911 N 1.76 1.27 0.00 1.47 1.35 -1.90 -2.73 112.91 114.13 1jyn h THR 911 Ca 0.00 -1.33 -0.03 0.00 -0.55 0.00 0.00 66.41 64.51 1jyn h THR 911 Cb 0.77 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1jyn h THR 911 CO 0.00 0.42 -0.12 0.00 -0.25 0.00 0.00 175.52 175.56 1jyn h ALA 912 N 1.31 0.99 -2.72 6.62 0.00 -1.87 -3.45 119.26 120.14 1jyn h ALA 912 Ca 0.05 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 1jyn h ALA 912 Cb 0.71 -0.02 0.10 0.00 0.00 0.00 0.00 17.79 18.58 1jyn h ALA 912 CO 0.05 0.15 0.45 0.00 0.00 0.00 0.00 179.25 179.90 1jyn s ALA 913 N -3.54 2.55 0.08 0.00 0.00 -1.03 -4.99 121.76 114.82 1jyn s ALA 913 Ca 0.02 0.91 0.09 0.00 0.00 0.00 0.00 51.96 52.98 1jyn s ALA 913 Cb 0.09 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1jyn s ALA 913 CO 0.61 -1.11 -0.24 0.00 0.00 0.00 0.00 175.76 175.02 1jyn s PHE 915 N -0.95 3.09 0.08 0.00 5.36 -1.26 -1.11 117.98 123.19 1jyn s PHE 915 Ca 0.10 1.11 -0.09 0.00 -0.96 0.00 0.00 56.93 57.09 1jyn s PHE 915 Cb -0.10 -3.82 0.03 0.00 -0.34 0.00 0.00 43.02 38.79 1jyn s PHE 915 CO 0.04 -0.86 0.44 -3.47 -1.46 0.00 0.00 175.22 169.91 1jyn n ASP 916 N 7.04 -0.74 -4.60 6.13 -0.08 -0.89 -4.93 116.55 118.47 1jyn n ASP 916 Ca 0.12 -1.39 -0.38 0.00 -1.51 0.00 0.00 54.79 51.63 1jyn n ASP 916 Cb 0.47 1.21 -0.10 0.00 2.34 0.00 0.00 41.12 45.04 1jyn n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1jyn s ARG 917 N -2.02 3.98 0.14 -0.67 6.06 -1.26 -1.89 118.95 123.29 1jyn s ARG 917 Ca 0.10 -0.19 0.10 0.00 -2.50 0.00 0.00 55.73 53.24 1jyn s ARG 917 Cb -0.01 -3.65 -0.04 0.00 0.06 0.00 0.00 34.95 31.31 1jyn s ARG 917 CO 0.02 -0.19 -0.22 -1.58 -2.50 0.00 0.00 175.30 170.83 1jyn s TRP 918 N 1.81 2.41 -0.16 5.12 0.52 0.43 -4.98 118.94 124.09 1jyn s TRP 918 Ca 0.10 -0.33 -0.05 0.00 0.02 0.00 0.00 56.10 55.85 1jyn s TRP 918 Cb -0.16 -1.26 0.08 0.00 -1.15 0.00 0.00 33.47 30.98 1jyn s TRP 918 CO 0.10 0.40 0.27 0.34 0.02 0.00 0.00 176.95 178.08 1jyn s ASP 919 N -2.25 0.50 0.11 2.95 -1.08 -1.26 -0.57 116.67 115.07 1jyn s ASP 919 Ca 0.17 0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.66 1jyn s ASP 919 Cb -0.10 0.71 -0.04 0.00 -1.46 0.00 0.00 42.92 42.04 1jyn s ASP 919 CO 0.09 -0.26 -0.08 -0.76 0.52 0.00 0.00 175.17 174.68 1jyn s LEU 920 N 2.42 2.50 0.64 -1.34 1.43 -0.43 -4.97 118.68 118.93 1jyn s LEU 920 Ca 0.03 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 51.98 1jyn s LEU 920 Cb -0.13 -0.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 1jyn s LEU 920 CO -0.10 -0.41 1.23 -2.16 0.23 0.00 0.00 176.35 175.15 1jyn s PRO 921 N -3.66 2.69 0.34 1.29 0.04 -1.26 -0.91 135.00 133.52 1jyn s PRO 921 Ca 0.12 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.13 1jyn s PRO 921 Cb 0.03 -1.89 0.80 0.00 0.04 0.00 0.00 34.50 33.49 1jyn s PRO 921 CO -0.03 -1.44 1.85 1.25 0.04 0.00 0.00 177.00 178.67 1jyn h LEU 922 N 0.55 0.69 -2.19 -3.56 5.85 -1.38 -1.93 115.31 113.34 1jyn h LEU 922 Ca -0.50 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1jyn h LEU 922 Cb 1.31 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1jyn h LEU 922 CO 0.53 0.33 -0.06 0.77 -0.34 0.00 0.00 178.44 179.67 1jyn h SER 923 N 0.72 0.00 0.66 1.25 4.64 -1.89 0.07 113.55 118.99 1jyn h SER 923 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1jyn h SER 923 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1jyn h SER 923 CO -0.23 0.06 0.00 0.47 -0.87 0.00 0.00 176.83 176.26 1jyn n ASP 924 N -3.53 0.18 -0.32 4.97 8.00 -0.72 -1.97 116.55 123.15 1jyn n ASP 924 Ca -0.02 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.12 1jyn n ASP 924 Cb 0.18 -0.58 0.45 0.00 -0.02 0.00 0.00 41.12 41.15 1jyn n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1jyn n MET 925 N -1.69 1.42 -5.05 -1.24 2.81 0.01 -4.75 117.12 108.63 1jyn n MET 925 Ca 0.04 -0.64 -0.29 0.00 -1.81 0.00 0.00 57.70 55.00 1jyn n MET 925 Cb 0.22 -1.35 -0.17 0.00 -0.71 0.00 0.00 33.22 31.21 1jyn n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1jyn s TYR 926 N -1.88 2.16 -0.25 2.03 5.04 -0.83 -4.51 117.35 119.10 1jyn s TYR 926 Ca 0.30 -0.74 -0.08 0.00 -2.44 0.00 0.00 57.07 54.12 1jyn s TYR 926 Cb 0.15 -1.45 -0.03 0.00 0.35 0.00 0.00 41.96 40.99 1jyn s TYR 926 CO 0.24 -0.28 0.08 0.99 -1.34 0.00 0.00 175.55 175.25 1jyn s THR 927 N 0.16 4.43 -1.26 4.34 2.01 -1.26 -4.97 115.64 119.09 1jyn s THR 927 Ca -0.10 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 1jyn s THR 927 Cb -0.15 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 1jyn s THR 927 CO 0.05 0.34 3.01 -0.81 -0.69 0.00 0.00 174.62 176.51 1jyn n PRO 928 N 4.85 3.48 -1.68 4.92 -0.04 -1.26 -4.86 135.00 140.41 1jyn n PRO 928 Ca -0.16 -2.15 -0.42 0.00 -0.04 0.00 0.00 63.50 60.72 1jyn n PRO 928 Cb 0.52 -2.61 -0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1jyn n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jyn n TYR 929 N 3.06 2.07 -0.21 0.54 4.01 -1.26 -4.86 117.16 120.51 1jyn n TYR 929 Ca 0.69 0.56 -0.00 0.00 -0.16 0.00 0.00 57.90 58.99 1jyn n TYR 929 Cb 0.37 -2.38 0.10 0.00 -0.31 0.00 0.00 39.34 37.12 1jyn n TYR 929 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1jyn h VAL 930 N 2.31 0.81 -3.63 -0.72 2.07 -1.96 -3.29 116.25 111.85 1jyn h VAL 930 Ca -0.46 -0.16 -0.67 0.00 0.82 0.00 0.00 66.70 66.24 1jyn h VAL 930 Cb 1.30 0.31 -0.17 0.00 -1.52 0.00 0.00 31.29 31.21 1jyn h VAL 930 CO 0.61 0.08 -0.25 0.12 0.02 0.00 0.00 177.57 178.16 1jyn s PHE 931 N -6.09 3.20 0.45 1.57 5.36 -1.26 -0.47 117.98 120.73 1jyn s PHE 931 Ca -0.13 -0.09 -0.23 0.00 -0.96 0.00 0.00 56.93 55.52 1jyn s PHE 931 Cb 0.17 -2.75 -0.08 0.00 -0.34 0.00 0.00 43.02 40.02 1jyn s PHE 931 CO 0.75 -0.51 1.11 -2.14 -1.46 0.00 0.00 175.22 172.97 1jyn s PRO 932 N 2.08 3.88 0.21 10.12 0.02 -1.24 -4.95 135.00 145.12 1jyn s PRO 932 Ca 0.12 1.63 -0.11 0.00 0.02 0.00 0.00 61.00 62.67 1jyn s PRO 932 Cb -0.17 -2.40 0.04 0.00 0.02 0.00 0.00 34.50 32.00 1jyn s PRO 932 CO 0.12 -0.42 0.54 -1.13 -0.33 0.00 0.00 177.00 175.79 1jyn n SER 933 N -0.44 -1.35 -4.69 2.53 3.41 -1.26 -4.73 113.62 107.09 1jyn n SER 933 Ca 0.07 -1.88 -0.43 0.00 -0.26 0.00 0.00 58.87 56.37 1jyn n SER 933 Cb 0.49 2.24 -0.01 0.00 -0.26 0.00 0.00 64.21 66.67 1jyn n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1jyn n GLU 934 N -0.37 2.08 -3.64 4.33 4.07 -0.46 -4.93 120.64 121.72 1jyn n GLU 934 Ca -0.04 0.73 -0.07 0.00 -0.06 0.00 0.00 57.16 57.72 1jyn n GLU 934 Cb 0.37 -2.31 -0.02 0.00 -0.06 0.00 0.00 31.44 29.42 1jyn n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1jyn s ASN 935 N -0.23 -0.31 0.00 4.31 2.20 -1.26 -4.89 114.94 114.76 1jyn s ASN 935 Ca 0.57 -0.25 0.00 0.00 -0.94 0.00 0.00 52.86 52.24 1jyn s ASN 935 Cb -0.59 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.18 1jyn s ASN 935 CO 0.60 -0.90 0.00 0.61 -2.94 0.00 0.00 177.10 174.47 1jyn n GLY 936 N -0.39 0.75 3.75 0.45 0.00 -1.26 -4.80 105.19 103.68 1jyn n GLY 936 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1jyn n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jyn s LEU 937 N 0.00 3.68 -0.08 0.99 2.96 -1.26 -4.61 118.68 120.37 1jyn s LEU 937 Ca 0.00 2.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.40 1jyn s LEU 937 Cb 0.00 -4.56 0.01 0.00 0.50 0.00 0.00 46.19 42.15 1jyn s LEU 937 CO 0.00 -1.64 -0.12 -0.13 -1.32 0.00 0.00 176.35 173.14 1jyn s ARG 938 N -3.27 1.74 0.55 1.98 3.00 -0.49 0.24 118.95 122.70 1jyn s ARG 938 Ca 0.77 -0.41 0.07 0.00 0.00 0.00 0.00 55.73 56.17 1jyn s ARG 938 Cb -0.33 -1.48 0.06 0.00 0.00 0.00 0.00 34.95 33.20 1jyn s ARG 938 CO 0.36 -0.02 0.55 0.00 0.00 0.00 0.00 175.30 176.19 1jyn n GLY 940 N -1.94 -0.51 3.70 0.00 0.00 -1.19 -2.15 105.19 103.09 1jyn n GLY 940 Ca 0.05 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1jyn n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyn s THR 941 N -3.12 5.26 -0.35 2.61 2.01 0.63 -3.74 115.64 118.94 1jyn s THR 941 Ca 0.42 0.61 0.17 0.00 0.31 0.00 0.00 61.69 63.20 1jyn s THR 941 Cb -0.20 -3.67 -0.23 0.00 0.01 0.00 0.00 72.50 68.40 1jyn s THR 941 CO 0.52 0.32 0.51 0.54 -0.69 0.00 0.00 174.62 175.82 1jyn n ARG 942 N 4.04 0.96 -3.69 4.92 5.12 0.35 -0.68 116.66 127.68 1jyn n ARG 942 Ca -0.10 -0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.60 1jyn n ARG 942 Cb 0.51 -1.35 -0.09 0.00 -1.16 0.00 0.00 32.46 30.38 1jyn n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1jyn s GLU 943 N -2.91 0.60 -0.02 5.56 2.12 -1.13 -1.90 118.70 121.02 1jyn s GLU 943 Ca -0.01 0.75 0.01 0.00 0.36 0.00 0.00 54.97 56.08 1jyn s GLU 943 Cb 0.12 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.79 1jyn s GLU 943 CO 0.69 -0.08 -0.02 -1.17 -0.54 0.00 0.00 175.26 174.14 1jyn s LEU 944 N 0.42 1.54 -0.06 2.70 2.96 0.47 -0.74 118.68 125.97 1jyn s LEU 944 Ca -0.01 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 1jyn s LEU 944 Cb -0.04 -0.24 -0.00 0.00 0.50 0.00 0.00 46.19 46.40 1jyn s LEU 944 CO -0.01 -0.03 -0.21 0.20 -1.32 0.00 0.00 176.35 174.98 1jyn s ASN 945 N 0.54 2.61 -0.20 3.68 0.01 0.20 -1.08 114.94 120.69 1jyn s ASN 945 Ca -0.06 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.58 1jyn s ASN 945 Cb -0.09 -0.83 0.09 0.00 0.41 0.00 0.00 41.25 40.83 1jyn s ASN 945 CO -0.01 0.18 0.43 -0.47 -1.51 0.00 0.00 177.10 175.72 1jyn s TYR 946 N 0.06 -0.81 0.00 2.20 5.04 -0.49 -1.83 117.35 121.51 1jyn s TYR 946 Ca -0.07 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1jyn s TYR 946 Cb -0.14 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1jyn s TYR 946 CO 0.04 -0.48 0.00 0.41 -1.34 0.00 0.00 175.55 174.17 1jyn n GLY 947 N 5.37 3.44 0.16 8.97 0.00 -1.26 -0.83 105.19 121.03 1jyn n GLY 947 Ca -0.09 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1jyn n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jyn n PRO 948 N 14.00 0.83 -3.63 1.61 -0.04 -1.26 -4.90 135.00 141.62 1jyn n PRO 948 Ca 0.00 -0.31 -0.33 0.00 -0.04 0.00 0.00 63.50 62.81 1jyn n PRO 948 Cb 0.00 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 1jyn n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jyn s HIS 949 N -2.38 3.53 -0.02 0.54 3.76 -0.01 -1.01 115.29 119.69 1jyn s HIS 949 Ca 0.31 0.67 0.02 0.00 -0.15 0.00 0.00 55.06 55.91 1jyn s HIS 949 Cb 0.20 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.81 1jyn s HIS 949 CO 0.45 0.48 -0.07 -1.14 -0.85 0.00 0.00 174.74 173.61 1jyn s GLN 950 N -2.27 0.72 -0.02 1.40 0.74 -0.57 -1.40 119.66 118.26 1jyn s GLN 950 Ca 0.37 -0.24 0.06 0.00 0.05 0.00 0.00 55.36 55.60 1jyn s GLN 950 Cb -0.13 -0.70 -0.01 0.00 1.10 0.00 0.00 33.01 33.27 1jyn s GLN 950 CO 0.21 0.10 -0.19 -1.58 -0.55 0.00 0.00 175.29 173.28 1jyn s TRP 951 N 0.13 1.71 0.09 1.67 0.51 -0.24 -1.00 118.94 121.81 1jyn s TRP 951 Ca -0.02 -0.33 0.06 0.00 -2.12 0.00 0.00 56.10 53.70 1jyn s TRP 951 Cb -0.07 -1.10 -0.03 0.00 -0.81 0.00 0.00 33.47 31.46 1jyn s TRP 951 CO -0.00 -0.03 -0.17 1.03 -0.51 0.00 0.00 176.95 177.27 1jyn s ARG 952 N -0.44 0.97 0.00 4.98 0.52 -0.21 -0.40 118.95 124.38 1jyn s ARG 952 Ca 0.07 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 1jyn s ARG 952 Cb -0.07 -1.05 0.00 0.00 0.52 0.00 0.00 34.95 34.34 1jyn s ARG 952 CO -0.01 0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.96 1jyn n GLY 953 N 1.05 -0.41 2.77 -3.53 0.00 -0.80 -1.22 105.19 103.06 1jyn n GLY 953 Ca -0.19 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1jyn n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jyn s ASP 954 N -4.00 0.24 0.32 1.61 2.15 -1.24 -4.12 116.67 111.64 1jyn s ASP 954 Ca 0.00 -1.74 0.05 0.00 0.43 0.00 0.00 52.55 51.30 1jyn s ASP 954 Cb 0.00 0.89 -0.02 0.00 -0.30 0.00 0.00 42.92 43.49 1jyn s ASP 954 CO 0.00 -0.19 0.32 2.22 -0.17 0.00 0.00 175.17 177.35 1jyn n PHE 955 N 3.77 -0.92 -4.43 -5.34 1.16 0.15 -4.86 117.46 106.98 1jyn n PHE 955 Ca 0.16 -2.61 -0.30 0.00 -1.87 0.00 0.00 57.45 52.83 1jyn n PHE 955 Cb 0.50 0.34 -0.11 0.00 -1.61 0.00 0.00 39.48 38.59 1jyn n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1jyn s GLN 956 N -3.18 2.02 0.13 3.97 -1.52 -0.13 -0.27 119.66 120.68 1jyn s GLN 956 Ca 0.36 -1.04 -0.11 0.00 -1.95 0.00 0.00 55.36 52.63 1jyn s GLN 956 Cb 0.01 -2.21 0.00 0.00 -0.22 0.00 0.00 33.01 30.59 1jyn s GLN 956 CO 0.26 0.52 0.28 -0.59 -0.25 0.00 0.00 175.29 175.50 1jyn s PHE 957 N -1.07 0.17 0.06 0.91 -0.71 -0.25 0.33 117.98 117.42 1jyn s PHE 957 Ca 0.17 -0.55 -0.00 0.00 -1.04 0.00 0.00 56.93 55.51 1jyn s PHE 957 Cb -0.11 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1jyn s PHE 957 CO 0.09 -0.66 -0.04 0.54 -1.34 0.00 0.00 175.22 173.81 1jyn s ASN 958 N -2.89 0.64 -0.25 1.98 2.20 0.17 -1.39 114.94 115.39 1jyn s ASN 958 Ca 0.09 -0.91 -0.16 0.00 -0.94 0.00 0.00 52.86 50.94 1jyn s ASN 958 Cb 0.03 0.15 0.07 0.00 -2.00 0.00 0.00 41.25 39.51 1jyn s ASN 958 CO -0.07 -0.51 0.62 -0.51 -2.94 0.00 0.00 177.10 173.70 1jyn s ILE 959 N -3.40 -0.01 0.07 0.54 2.07 -1.26 -1.24 121.20 117.98 1jyn s ILE 959 Ca 0.04 0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.06 1jyn s ILE 959 Cb 0.04 -0.90 0.08 0.00 0.13 0.00 0.00 42.46 41.82 1jyn s ILE 959 CO -0.07 0.01 1.12 -1.54 -1.91 0.00 0.00 174.94 172.55 1jyn n SER 960 N 3.98 -1.39 -1.54 4.50 3.41 -0.75 -4.59 113.62 117.25 1jyn n SER 960 Ca -0.19 -1.53 0.07 0.00 -0.26 0.00 0.00 58.87 56.95 1jyn n SER 960 Cb 0.57 2.22 0.32 0.00 -0.26 0.00 0.00 64.21 67.07 1jyn n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jyn n ARG 961 N -0.80 3.83 -4.98 4.33 5.12 -1.26 -0.05 116.66 122.85 1jyn n ARG 961 Ca 0.01 -2.51 -0.30 0.00 -1.93 0.00 0.00 57.85 53.12 1jyn n ARG 961 Cb 0.56 -1.99 -0.17 0.00 -1.16 0.00 0.00 32.46 29.70 1jyn n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1jyn s TYR 962 N -2.18 2.27 0.71 -1.55 2.02 -1.26 -0.71 117.35 116.65 1jyn s TYR 962 Ca 0.44 -0.94 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1jyn s TYR 962 Cb 0.31 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.35 1jyn s TYR 962 CO 0.16 -0.40 1.07 -1.54 -1.57 0.00 0.00 175.55 173.26 1jyn s SER 963 N 0.49 5.23 0.28 2.29 1.04 -1.26 -4.83 113.70 116.95 1jyn s SER 963 Ca -0.16 1.59 -0.03 0.00 0.48 0.00 0.00 55.95 57.84 1jyn s SER 963 Cb -0.17 -2.45 0.41 0.00 0.10 0.00 0.00 66.02 63.91 1jyn s SER 963 CO 0.06 -1.53 1.93 1.56 0.98 0.00 0.00 173.24 176.24 1jyn h GLN 964 N -0.78 1.15 -0.55 4.02 1.08 -1.99 -0.54 115.11 117.49 1jyn h GLN 964 Ca -0.44 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.68 1jyn h GLN 964 Cb 1.22 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 1jyn h GLN 964 CO 0.57 0.76 0.29 0.37 -0.95 0.00 0.00 178.83 179.87 1jyn h GLN 965 N 1.18 0.78 -0.41 1.46 4.15 -1.99 0.41 115.11 120.69 1jyn h GLN 965 Ca 0.36 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1jyn h GLN 965 Cb -0.02 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1jyn h GLN 965 CO -0.10 0.61 0.15 0.37 -1.93 0.00 0.00 178.83 177.92 1jyn h GLN 966 N 0.74 0.62 -0.70 1.69 4.15 -1.74 -2.01 115.11 117.87 1jyn h GLN 966 Ca 0.19 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.55 1jyn h GLN 966 Cb 0.07 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 1jyn h GLN 966 CO -0.03 0.60 0.40 -0.07 -1.93 0.00 0.00 178.83 177.79 1jyn h LEU 967 N 0.51 0.59 -0.65 -2.39 3.38 -0.76 -1.18 115.31 114.82 1jyn h LEU 967 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1jyn h LEU 967 Cb 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1jyn h LEU 967 CO -0.01 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1jyn h MET 968 N 0.73 0.00 -0.01 1.13 -0.00 -0.60 -3.06 114.93 113.11 1jyn h MET 968 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.01 1jyn h MET 968 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1jyn h MET 968 CO -0.18 0.00 -0.36 0.39 -0.00 0.00 0.00 176.91 176.76 1jyn n GLU 969 N -2.62 1.15 -4.42 -0.10 1.02 -0.52 -4.90 120.64 110.25 1jyn n GLU 969 Ca 0.03 -0.87 -0.34 0.00 -0.02 0.00 0.00 57.16 55.96 1jyn n GLU 969 Cb 0.34 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 1jyn n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jyn s THR 970 N -2.44 3.97 -0.68 2.62 2.01 -0.73 -5.00 115.64 115.38 1jyn s THR 970 Ca 0.22 -0.35 0.22 0.00 0.31 0.00 0.00 61.69 62.09 1jyn s THR 970 Cb 0.19 -2.71 -0.17 0.00 0.01 0.00 0.00 72.50 69.81 1jyn s THR 970 CO 0.53 0.53 0.94 -1.54 -0.69 0.00 0.00 174.62 174.39 1jyn n SER 971 N 3.10 0.64 -3.77 3.53 3.41 -1.26 -4.06 113.62 115.21 1jyn n SER 971 Ca -0.18 -0.44 -0.15 0.00 -0.26 0.00 0.00 58.87 57.85 1jyn n SER 971 Cb 0.53 0.99 -0.16 0.00 -0.26 0.00 0.00 64.21 65.31 1jyn n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jyn s HIS 972 N -3.16 0.01 0.49 7.33 3.76 -1.26 -4.29 115.29 118.16 1jyn s HIS 972 Ca 0.04 0.17 0.23 0.00 -0.15 0.00 0.00 55.06 55.35 1jyn s HIS 972 Cb 0.15 -0.22 1.28 0.00 1.11 0.00 0.00 32.58 34.90 1jyn s HIS 972 CO 0.83 -0.10 1.92 0.07 -0.85 0.00 0.00 174.74 176.61 1jyn h ARG 973 N 7.27 0.17 0.00 1.40 0.11 -0.98 -0.73 114.38 121.63 1jyn h ARG 973 Ca -0.45 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1jyn h ARG 973 Cb 1.12 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1jyn h ARG 973 CO 0.47 0.11 0.00 -2.39 0.10 0.00 0.00 179.97 178.27 1jyn n HIS 974 N -4.40 0.76 1.13 4.08 1.44 -1.26 -2.17 115.22 114.80 1jyn n HIS 974 Ca 0.15 0.32 0.12 0.00 -2.01 0.00 0.00 57.72 56.31 1jyn n HIS 974 Cb 0.71 -1.02 0.19 0.00 0.12 0.00 0.00 29.99 30.00 1jyn n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1jyn n LEU 975 N -2.21 1.57 -4.78 2.39 4.77 -0.28 -4.93 117.00 113.53 1jyn n LEU 975 Ca 0.01 -0.52 -0.35 0.00 -0.03 0.00 0.00 56.01 55.12 1jyn n LEU 975 Cb 0.17 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1jyn n LEU 975 CO 0.16 0.29 0.77 -0.76 -1.33 0.00 0.00 177.39 176.52 1jyn s LEU 976 N -2.46 3.69 -0.02 2.23 1.43 -0.92 -5.04 118.68 117.59 1jyn s LEU 976 Ca 0.22 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1jyn s LEU 976 Cb 0.19 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.84 1jyn s LEU 976 CO 0.54 -1.25 -0.08 -1.38 0.23 0.00 0.00 176.35 174.41 1jyn s HIS 977 N -1.90 0.80 0.27 0.29 -3.43 -1.26 -5.11 115.29 104.95 1jyn s HIS 977 Ca 0.71 -0.18 -0.30 0.00 -0.80 0.00 0.00 55.06 54.49 1jyn s HIS 977 Cb -0.22 -0.57 -0.11 0.00 -1.43 0.00 0.00 32.58 30.25 1jyn s HIS 977 CO 0.29 -0.08 1.52 0.00 -2.00 0.00 0.00 174.74 174.47 1jyn s ALA 978 N 0.15 3.69 0.59 -1.38 0.00 -1.26 -4.84 121.76 118.72 1jyn s ALA 978 Ca -0.02 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.37 1jyn s ALA 978 Cb -0.07 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1jyn s ALA 978 CO 0.00 -0.86 0.85 -1.21 0.00 0.00 0.00 175.76 174.54 1jyn s GLU 979 N -0.40 2.49 0.44 0.00 2.02 0.11 -5.03 118.70 118.34 1jyn s GLU 979 Ca 0.61 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.81 1jyn s GLU 979 Cb -0.45 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.32 1jyn s GLU 979 CO 0.45 -0.85 1.29 -2.00 0.02 0.00 0.00 175.26 174.18 1jyn s GLU 980 N -4.91 3.79 1.91 1.61 2.12 -1.26 -4.77 118.70 117.18 1jyn s GLU 980 Ca 0.57 2.11 0.00 0.00 0.36 0.00 0.00 54.97 58.01 1jyn s GLU 980 Cb -0.10 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1jyn s GLU 980 CO 0.41 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1jyn n GLY 981 N 0.63 -1.20 2.81 -1.50 0.00 -1.26 -4.83 105.19 99.84 1jyn n GLY 981 Ca 0.05 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 1jyn n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyn s THR 982 N 0.00 0.24 -0.16 2.61 2.01 -0.26 -4.69 115.64 115.39 1jyn s THR 982 Ca 0.00 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1jyn s THR 982 Cb 0.00 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1jyn s THR 982 CO 0.00 0.18 0.75 0.26 -0.69 0.00 0.00 174.62 175.12 1jyn s TRP 983 N 1.29 3.44 -0.12 4.92 0.52 0.93 0.45 118.94 130.36 1jyn s TRP 983 Ca -0.06 1.17 0.00 0.00 0.02 0.00 0.00 56.10 57.23 1jyn s TRP 983 Cb -0.13 -2.92 -0.02 0.00 -1.15 0.00 0.00 33.47 29.26 1jyn s TRP 983 CO -0.02 -0.16 -0.13 -1.17 0.02 0.00 0.00 176.95 175.49 1jyn s LEU 984 N 1.82 2.74 -0.22 2.99 2.96 0.21 -1.81 118.68 127.37 1jyn s LEU 984 Ca 0.36 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1jyn s LEU 984 Cb -0.17 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 44.96 1jyn s LEU 984 CO 0.13 0.18 -0.13 0.20 -1.32 0.00 0.00 176.35 175.42 1jyn s ASN 985 N 0.24 3.76 -0.29 3.68 0.01 -0.37 -1.95 114.94 120.01 1jyn s ASN 985 Ca -0.08 -1.04 -0.04 0.00 -0.71 0.00 0.00 52.86 50.99 1jyn s ASN 985 Cb -0.15 -1.42 0.03 0.00 0.41 0.00 0.00 41.25 40.12 1jyn s ASN 985 CO 0.05 -0.13 0.02 -0.63 -1.51 0.00 0.00 177.10 174.90 1jyn s ILE 986 N 1.25 3.32 -0.09 0.60 1.01 -0.68 -0.66 121.20 125.95 1jyn s ILE 986 Ca -0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 1jyn s ILE 986 Cb -0.17 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1jyn s ILE 986 CO -0.08 0.01 -0.04 -1.81 0.00 0.00 0.00 174.94 173.03 1jyn s ASP 987 N 1.36 4.90 0.12 3.58 1.01 0.15 0.08 116.67 127.86 1jyn s ASP 987 Ca -0.01 0.02 -0.12 0.00 0.71 0.00 0.00 52.55 53.15 1jyn s ASP 987 Cb -0.18 -1.41 -0.12 0.00 1.01 0.00 0.00 42.92 42.22 1jyn s ASP 987 CO -0.01 0.33 1.35 1.23 0.21 0.00 0.00 175.17 178.28 1jyn h GLY 988 N 5.53 0.89 -5.24 0.21 0.00 -1.18 -0.32 103.07 102.96 1jyn h GLY 988 Ca -0.46 -1.18 -0.19 0.00 0.00 0.00 0.00 47.33 45.50 1jyn h GLY 988 CO 0.55 1.05 -0.68 -1.36 0.00 0.00 0.00 176.54 176.11 1jyn s PHE 989 N -3.88 0.09 -0.01 5.60 0.40 -1.02 -4.66 117.98 114.50 1jyn s PHE 989 Ca -0.10 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1jyn s PHE 989 Cb 0.09 -0.08 -0.00 0.00 0.51 0.00 0.00 43.02 43.54 1jyn s PHE 989 CO 0.90 -0.11 -0.05 -1.58 0.70 0.00 0.00 175.22 175.08 1jyn s HIS 990 N -0.70 0.50 0.63 0.36 2.46 -1.26 -0.97 115.29 116.31 1jyn s HIS 990 Ca -0.08 -0.10 -0.14 0.00 0.47 0.00 0.00 55.06 55.21 1jyn s HIS 990 Cb -0.05 -0.34 -0.02 0.00 -0.13 0.00 0.00 32.58 32.04 1jyn s HIS 990 CO -0.00 -0.02 1.07 1.41 -2.47 0.00 0.00 174.74 174.72 1jyn s MET 991 N -0.04 3.12 0.96 2.88 1.75 0.15 -4.81 119.30 123.31 1jyn s MET 991 Ca 0.01 1.18 -0.11 0.00 -1.25 0.00 0.00 55.69 55.52 1jyn s MET 991 Cb -0.03 -2.01 0.14 0.00 2.84 0.00 0.00 34.83 35.77 1jyn s MET 991 CO -0.00 -0.97 0.96 0.41 -0.65 0.00 0.00 175.02 174.77 1jyn n GLY 992 N -1.13 -0.94 0.01 2.11 0.00 -0.41 -4.72 105.19 100.10 1jyn n GLY 992 Ca 0.09 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.43 1jyn n GLY 992 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jyn n ILE 993 N -4.22 0.02 -4.44 -0.61 -5.35 -1.26 -4.95 119.36 98.55 1jyn n ILE 993 Ca 0.10 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1jyn n ILE 993 Cb 0.53 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1jyn n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jyn n GLY 994 N 1.37 -1.46 0.00 3.28 0.00 -1.26 -4.77 105.19 102.35 1jyn n GLY 994 Ca -0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1jyn n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 995 N 0.00 -0.09 0.44 -0.02 0.00 -1.26 -0.88 105.19 103.39 1jyn n GLY 995 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.27 1jyn n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jyn h ASP 996 N 0.00 0.22 -5.20 1.61 3.32 -1.80 -1.70 116.42 112.87 1jyn h ASP 996 Ca 0.00 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1jyn h ASP 996 Cb 0.00 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 1jyn h ASP 996 CO 0.00 0.07 -0.03 1.51 -1.72 0.00 0.00 179.24 179.07 1jyn s ASP 997 N -5.54 -0.06 -0.22 6.45 1.47 -1.26 -4.10 116.67 113.41 1jyn s ASP 997 Ca -0.07 -0.91 0.11 0.00 1.18 0.00 0.00 52.55 52.87 1jyn s ASP 997 Cb 0.23 0.63 0.43 0.00 -0.34 0.00 0.00 42.92 43.87 1jyn s ASP 997 CO 0.78 -1.22 1.28 -1.20 0.68 0.00 0.00 175.17 175.49 1jyn n SER 998 N -0.51 2.01 0.00 2.11 7.64 -1.26 -4.60 113.62 119.01 1jyn n SER 998 Ca -0.02 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1jyn n SER 998 Cb 0.61 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1jyn n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1jyn n TRP 999 N -1.14 0.00 -3.84 1.43 2.14 -1.26 -4.18 117.44 110.59 1jyn n TRP 999 Ca 0.22 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.68 1jyn n TRP 999 Cb 0.78 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 31.19 1jyn n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1jyn s SER 1000N -0.02 0.00 0.16 -0.67 1.04 -1.26 -4.48 113.70 108.46 1jyn s SER 1000Ca 0.00 -0.25 -0.34 0.00 0.48 0.00 0.00 55.95 55.84 1jyn s SER 1000Cb 0.00 0.26 -0.14 0.00 0.10 0.00 0.00 66.02 66.24 1jyn s SER 1000CO 0.00 -0.48 1.55 -2.65 0.98 0.00 0.00 173.24 172.64 1jyn n PRO 1001N 1.02 2.05 0.00 4.02 -0.02 -1.26 -4.78 135.00 136.03 1jyn n PRO 1001Ca -0.21 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1jyn n PRO 1001Cb 0.57 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1jyn n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jyn n SER 1002N 3.29 0.95 -4.65 2.55 3.41 -1.26 -5.01 113.62 112.89 1jyn n SER 1002Ca 0.17 -1.38 -0.43 0.00 -0.26 0.00 0.00 58.87 56.96 1jyn n SER 1002Cb 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 1jyn n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jyn s VAL 1003N -0.38 4.62 0.59 -3.33 1.01 -1.26 -4.40 120.40 117.25 1jyn s VAL 1003Ca 0.00 1.94 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 1jyn s VAL 1003Cb 0.00 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1jyn s VAL 1003CO 0.00 -0.26 1.24 -0.55 0.00 0.00 0.00 175.10 175.53 1jyn s SER 1004N 1.34 5.17 0.42 3.32 0.15 -1.26 -4.86 113.70 117.98 1jyn s SER 1004Ca 0.45 2.48 0.18 0.00 0.70 0.00 0.00 55.95 59.76 1jyn s SER 1004Cb -0.14 -2.61 1.10 0.00 -1.71 0.00 0.00 66.02 62.66 1jyn s SER 1004CO 0.09 -1.61 1.83 0.00 1.20 0.00 0.00 173.24 174.75 1jyn h ALA 1005N 1.00 2.24 0.00 5.45 0.00 -1.96 0.10 119.26 126.09 1jyn h ALA 1005Ca -0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jyn h ALA 1005Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jyn h ALA 1005CO 0.55 -0.55 0.00 -0.85 0.00 0.00 0.00 179.25 178.40 1jyn n GLU 1006N -4.53 0.06 -0.19 0.00 0.00 -1.26 -2.22 120.64 112.51 1jyn n GLU 1006Ca 0.21 0.26 0.07 0.00 0.00 0.00 0.00 57.16 57.69 1jyn n GLU 1006Cb 0.75 -1.61 0.17 0.00 0.00 0.00 0.00 31.44 30.76 1jyn n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1jyn n PHE 1007N -1.73 0.49 -3.34 -1.84 3.72 0.34 -4.96 117.46 110.14 1jyn n PHE 1007Ca 0.04 -0.43 -0.36 0.00 -0.05 0.00 0.00 57.45 56.65 1jyn n PHE 1007Cb 0.22 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.69 1jyn n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1jyn s GLN 1008N -1.02 4.01 -1.25 -1.08 -0.21 -0.94 -1.29 119.66 117.88 1jyn s GLN 1008Ca 0.27 0.53 -0.12 0.00 0.02 0.00 0.00 55.36 56.06 1jyn s GLN 1008Cb 0.14 -2.96 0.16 0.00 1.00 0.00 0.00 33.01 31.35 1jyn s GLN 1008CO 0.19 0.49 1.67 1.28 -2.12 0.00 0.00 175.29 176.80 1jyn n LEU 1009N 0.91 5.89 -0.92 2.90 4.77 -1.26 -4.68 117.00 124.60 1jyn n LEU 1009Ca -0.06 -4.51 0.09 0.00 -0.03 0.00 0.00 56.01 51.50 1jyn n LEU 1009Cb 0.52 -1.56 0.20 0.00 -2.33 0.00 0.00 43.42 40.24 1jyn n LEU 1009CO 0.42 1.00 0.66 -1.54 -1.33 0.00 0.00 177.39 176.60 1jyn n SER 1010N 4.98 3.19 0.25 -1.43 3.41 -1.26 -4.34 113.62 118.42 1jyn n SER 1010Ca 0.39 -1.93 0.17 0.00 -0.26 0.00 0.00 58.87 57.24 1jyn n SER 1010Cb 0.40 -0.27 0.73 0.00 -0.26 0.00 0.00 64.21 64.81 1jyn n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyn h ALA 1011N 3.19 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 125.34 1jyn h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jyn h ALA 1011Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jyn h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1jyn n GLY 1012N -0.21 2.40 3.06 0.00 0.00 -1.26 -4.90 105.19 104.28 1jyn n GLY 1012Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 1jyn n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jyn s ARG 1013N 0.00 1.98 0.03 1.61 0.52 -1.26 0.00 118.95 121.83 1jyn s ARG 1013Ca 0.00 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1jyn s ARG 1013Cb 0.00 -1.62 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 1jyn s ARG 1013CO 0.00 0.03 -0.14 0.71 0.02 0.00 0.00 175.30 175.92 1jyn s TYR 1014N 0.70 1.22 0.00 -0.53 2.02 -0.51 -4.99 117.35 115.26 1jyn s TYR 1014Ca -0.13 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1jyn s TYR 1014Cb -0.16 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 1jyn s TYR 1014CO 0.03 0.02 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.32 1jyn s HIS 1015N -0.71 1.18 0.14 2.71 5.65 -1.26 -0.95 115.29 122.06 1jyn s HIS 1015Ca 0.03 -0.26 -0.16 0.00 0.25 0.00 0.00 55.06 54.92 1jyn s HIS 1015Cb -0.07 -0.74 0.03 0.00 -1.18 0.00 0.00 32.58 30.62 1jyn s HIS 1015CO 0.01 -0.00 0.41 1.52 -0.65 0.00 0.00 174.74 176.02 1jyn s TYR 1016N -0.46 -0.13 -0.04 3.88 1.13 -0.45 -5.02 117.35 116.26 1jyn s TYR 1016Ca 0.04 -0.20 -0.01 0.00 -1.41 0.00 0.00 57.07 55.49 1jyn s TYR 1016Cb -0.06 0.25 0.03 0.00 -1.10 0.00 0.00 41.96 41.09 1jyn s TYR 1016CO -0.00 -0.74 0.08 1.14 -2.51 0.00 0.00 175.55 173.52 1jyn s GLN 1017N -3.83 0.02 0.05 -3.49 -2.07 -1.26 -0.69 119.66 108.40 1jyn s GLN 1017Ca 0.05 0.25 0.09 0.00 -1.82 0.00 0.00 55.36 53.93 1jyn s GLN 1017Cb 0.01 -0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 31.70 1jyn s GLN 1017CO -0.09 -0.16 -0.24 -0.51 -1.32 0.00 0.00 175.29 172.97 1jyn s LEU 1018N 1.04 2.19 -0.14 2.60 1.43 -0.33 -4.23 118.68 121.24 1jyn s LEU 1018Ca -0.08 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1jyn s LEU 1018Cb -0.11 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1jyn s LEU 1018CO -0.04 0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 175.88 1jyn s VAL 1019N -0.84 2.59 -0.15 -1.59 1.01 -0.35 0.12 120.40 121.18 1jyn s VAL 1019Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1jyn s VAL 1019Cb -0.10 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1jyn s VAL 1019CO 0.02 0.53 -0.15 0.86 0.00 0.00 0.00 175.10 176.36 1jyn s TRP 1020N 0.60 2.77 0.28 5.22 -0.11 0.60 -1.04 118.94 127.25 1jyn s TRP 1020Ca -0.10 -0.99 -0.00 0.00 1.22 0.00 0.00 56.10 56.23 1jyn s TRP 1020Cb -0.16 -1.87 0.00 0.00 -1.50 0.00 0.00 33.47 29.94 1jyn s TRP 1020CO 0.03 -0.44 0.36 0.00 -4.62 0.00 0.00 176.95 172.29 1jyn s GLN 1022N -2.71 3.47 0.00 0.00 0.74 -1.26 -1.52 119.66 118.39 1jyn s GLN 1022Ca 0.24 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1jyn s GLN 1022Cb -0.00 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.25 1jyn s GLN 1022CO 0.18 0.39 0.41 1.17 -0.55 0.00 0.00 175.29 176.89