#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 3.89 0.18 5.56 1.74 -1.26 -4.76 116.66 122.01 1jyn n ARG 14 Ca 0.00 -3.91 0.13 0.00 -0.77 0.00 0.00 57.85 53.30 1jyn n ARG 14 Cb 0.00 -2.79 0.65 0.00 -1.02 0.00 0.00 32.46 29.30 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 5.75 0.00 -0.09 0.55 3.32 -1.95 -0.97 116.42 123.03 1jyn h ASP 15 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1jyn h ASP 15 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1jyn h ASP 15 CO 1.49 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 176.34 1jyn n TRP 16 N -2.39 0.11 -2.38 4.55 2.14 -1.26 -2.89 117.44 115.32 1jyn n TRP 16 Ca -0.01 -0.06 -0.16 0.00 2.07 0.00 0.00 57.50 59.35 1jyn n TRP 16 Cb 0.09 0.00 0.03 0.00 -0.81 0.00 0.00 31.31 30.62 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 -0.28 2.82 -3.29 -2.67 1.02 -0.37 -0.20 120.64 117.67 1jyn n GLU 17 Ca 0.07 -3.94 -0.07 0.00 -0.02 0.00 0.00 57.16 53.20 1jyn n GLU 17 Cb 0.10 -1.99 -0.05 0.00 -0.02 0.00 0.00 31.44 29.48 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 -3.61 0.00 0.00 1.62 2.47 -1.14 -4.77 114.94 109.51 1jyn s ASN 18 Ca 0.41 -0.06 0.12 0.00 0.42 0.00 0.00 52.86 53.75 1jyn s ASN 18 Cb 0.39 1.29 0.58 0.00 -1.45 0.00 0.00 41.25 42.05 1jyn s ASN 18 CO -0.02 -0.33 1.32 -0.81 -3.72 0.00 0.00 177.10 173.55 1jyn n PRO 19 N 5.37 0.11 0.00 0.43 -0.04 -1.26 -0.97 135.00 138.64 1jyn n PRO 19 Ca -0.00 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 1jyn n PRO 19 Cb 0.50 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.26 -1.38 2.99 0.55 0.00 -1.26 -4.38 105.19 101.44 1jyn n GLY 20 Ca 0.05 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.00 1.97 -0.98 1.61 1.01 -0.15 -4.93 120.40 115.94 1jyn s VAL 21 Ca 0.13 -1.87 0.13 0.00 0.00 0.00 0.00 61.98 60.37 1jyn s VAL 21 Cb 0.18 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1jyn s VAL 21 CO 0.61 -0.38 0.67 0.35 0.00 0.00 0.00 175.10 176.35 1jyn n THR 22 N 4.43 0.00 -3.57 3.92 -2.24 -1.26 -4.79 114.28 110.77 1jyn n THR 22 Ca -0.04 -0.30 -0.06 0.00 -2.27 0.00 0.00 64.05 61.38 1jyn n THR 22 Cb 0.42 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.84 0.64 -0.03 -0.78 1.03 -1.26 -1.57 119.66 115.84 1jyn s GLN 23 Ca 0.09 -0.26 -0.00 0.00 0.04 0.00 0.00 55.36 55.22 1jyn s GLN 23 Cb 0.10 0.28 0.03 0.00 0.03 0.00 0.00 33.01 33.45 1jyn s GLN 23 CO 0.40 -0.28 0.01 -0.51 -2.54 0.00 0.00 175.29 172.37 1jyn s LEU 24 N -2.46 0.92 -1.26 2.60 1.43 0.34 -4.87 118.68 115.38 1jyn s LEU 24 Ca 0.08 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1jyn s LEU 24 Cb -0.01 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.00 1jyn s LEU 24 CO -0.06 -0.14 0.00 0.59 0.23 0.00 0.00 176.35 176.97 1jyn n ASN 25 N 4.45 -4.78 -4.74 2.29 3.02 -1.26 -1.38 115.26 112.85 1jyn n ASN 25 Ca -0.21 0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1jyn n ASN 25 Cb 0.50 -3.33 -0.05 0.00 -0.61 0.00 0.00 39.78 36.29 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 -2.90 4.74 0.75 3.52 3.52 -1.26 -4.60 118.95 122.71 1jyn s ARG 26 Ca 0.00 1.40 -0.11 0.00 -0.13 0.00 0.00 55.73 56.89 1jyn s ARG 26 Cb 0.00 -3.32 0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1jyn s ARG 26 CO 0.00 0.40 1.08 -0.51 -0.81 0.00 0.00 175.30 175.46 1jyn s LEU 27 N -0.66 2.85 0.64 -0.88 1.43 0.99 -5.01 118.68 118.05 1jyn s LEU 27 Ca 0.42 1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 54.77 1jyn s LEU 27 Cb -0.24 -4.17 -0.01 0.00 0.03 0.00 0.00 46.19 41.79 1jyn s LEU 27 CO 0.30 -1.69 1.29 0.00 0.23 0.00 0.00 176.35 176.48 1jyn s ALA 28 N -3.12 2.40 0.61 4.21 0.00 -1.26 -4.71 121.76 119.89 1jyn s ALA 28 Ca 0.59 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.63 1jyn s ALA 28 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1jyn s ALA 28 CO 0.54 -1.56 1.02 0.00 0.00 0.00 0.00 175.76 175.77 1jyn s ALA 29 N -1.41 3.04 0.12 0.00 0.00 -1.26 -5.00 121.76 117.26 1jyn s ALA 29 Ca 0.82 0.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 1jyn s ALA 29 Cb -0.37 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1jyn s ALA 29 CO 0.39 -0.66 0.98 -3.38 0.00 0.00 0.00 175.76 173.10 1jyn s HIS 30 N -3.02 -0.14 1.02 0.00 -3.43 -1.26 -4.88 115.29 103.57 1jyn s HIS 30 Ca 0.56 -0.13 -0.13 0.00 -0.80 0.00 0.00 55.06 54.56 1jyn s HIS 30 Cb -0.11 0.62 0.20 0.00 -1.43 0.00 0.00 32.58 31.86 1jyn s HIS 30 CO 0.49 -0.76 1.10 -2.14 -2.00 0.00 0.00 174.74 171.43 1jyn s PRO 31 N -3.20 0.25 0.02 -0.38 0.02 -1.06 -4.29 135.00 126.36 1jyn s PRO 31 Ca 0.12 0.43 -0.35 0.00 0.02 0.00 0.00 61.00 61.22 1jyn s PRO 31 Cb -0.01 -1.72 -0.14 0.00 0.02 0.00 0.00 34.50 32.65 1jyn s PRO 31 CO 0.01 -2.83 1.64 -2.30 -0.33 0.00 0.00 177.00 173.18 1jyn n PRO 32 N -4.23 1.86 -4.45 5.54 -0.02 -1.26 -4.97 135.00 127.47 1jyn n PRO 32 Ca 0.06 0.67 -0.24 0.00 -2.02 0.00 0.00 63.50 61.97 1jyn n PRO 32 Cb 0.58 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 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 2.06 2.34 0.00 6.00 0.08 -1.26 -4.79 117.98 122.40 1jyn s PHE 33 Ca 0.86 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.59 1jyn s PHE 33 Cb -0.78 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1jyn s PHE 33 CO 0.47 0.70 0.00 0.00 -0.10 0.00 0.00 175.22 176.28 1jyn n ALA 34 N -0.60 0.00 -3.75 5.36 0.00 -1.26 -5.03 120.51 115.23 1jyn n ALA 34 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1jyn n ALA 34 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.48 -4.76 0.00 2.88 -1.26 -4.23 113.62 102.77 1jyn n SER 35 Ca 0.00 -0.99 -0.34 0.00 -1.33 0.00 0.00 58.87 56.21 1jyn n SER 35 Cb 0.00 -3.40 0.04 0.00 -0.75 0.00 0.00 64.21 60.10 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 -3.62 2.52 -0.28 0.66 0.51 -0.85 -4.56 118.94 113.33 1jyn s TRP 36 Ca 0.29 1.55 0.09 0.00 -2.12 0.00 0.00 56.10 55.92 1jyn s TRP 36 Cb -0.10 -3.28 0.22 0.00 -0.81 0.00 0.00 33.47 29.50 1jyn s TRP 36 CO 0.86 -1.85 1.16 0.54 -0.51 0.00 0.00 176.95 177.15 1jyn n ARG 37 N -2.09 2.56 -3.71 4.98 5.12 -1.26 -0.38 116.66 121.88 1jyn n ARG 37 Ca 0.11 -2.09 -0.14 0.00 -1.93 0.00 0.00 57.85 53.81 1jyn n ARG 37 Cb 0.51 -1.31 -0.14 0.00 -1.16 0.00 0.00 32.46 30.36 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 -1.58 0.06 0.32 0.55 3.84 -1.26 -4.97 114.94 111.90 1jyn s ASN 38 Ca 0.19 0.43 0.03 0.00 0.21 0.00 0.00 52.86 53.73 1jyn s ASN 38 Cb 0.15 0.36 0.54 0.00 -0.55 0.00 0.00 41.25 41.74 1jyn s ASN 38 CO 0.06 -0.19 1.83 0.28 -2.79 0.00 0.00 177.10 176.29 1jyn h SER 39 N 7.59 0.51 0.60 -4.21 0.02 -1.97 -2.94 113.55 113.16 1jyn h SER 39 Ca -0.33 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.37 1jyn h SER 39 Cb 1.14 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1jyn h SER 39 CO 0.31 0.62 -0.66 -0.08 -1.14 0.00 0.00 176.83 175.88 1jyn h GLU 40 N 0.51 0.05 -0.12 3.45 4.57 -1.98 0.56 114.58 121.62 1jyn h GLU 40 Ca 0.10 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.12 1jyn h GLU 40 Cb 0.41 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1jyn h GLU 40 CO 0.02 0.69 -0.47 0.93 -1.18 0.00 0.00 179.01 179.00 1jyn h GLU 41 N 0.04 0.30 -0.31 1.92 4.39 -1.92 -1.17 114.58 117.83 1jyn h GLU 41 Ca -0.01 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1jyn h GLU 41 Cb 1.17 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1jyn h GLU 41 CO 0.09 0.71 -0.19 0.00 -1.16 0.00 0.00 179.01 178.46 1jyn h ALA 42 N 1.26 0.44 -0.54 3.43 0.00 -1.28 -0.61 119.26 121.97 1jyn h ALA 42 Ca 0.01 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1jyn h ALA 42 Cb 0.92 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1jyn h ALA 42 CO 0.08 0.37 0.34 -0.09 0.00 0.00 0.00 179.25 179.95 1jyn h ARG 43 N 0.43 0.67 -0.05 0.00 2.43 0.39 -2.62 114.38 115.63 1jyn h ARG 43 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1jyn h ARG 43 Cb 0.73 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1jyn h ARG 43 CO 0.05 0.44 0.00 0.25 -1.51 0.00 0.00 179.97 179.20 1jyn n THR 44 N -4.75 0.06 -1.84 0.20 -2.24 -0.47 -4.88 114.28 100.37 1jyn n THR 44 Ca 0.04 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 1jyn n THR 44 Cb 0.05 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.46 -5.48 -4.82 3.42 2.03 -0.37 -4.97 116.55 105.89 1jyn n ASP 45 Ca 0.15 0.33 -0.30 0.00 0.52 0.00 0.00 54.79 55.49 1jyn n ASP 45 Cb 0.15 -4.66 0.10 0.00 -0.72 0.00 0.00 41.12 35.99 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 -4.10 1.95 0.74 -0.67 0.52 -0.42 -5.00 118.95 111.97 1jyn s ARG 46 Ca 0.00 0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 55.53 1jyn s ARG 46 Cb 0.00 -1.92 0.05 0.00 0.52 0.00 0.00 34.95 33.60 1jyn s ARG 46 CO 0.00 -1.67 1.23 -2.14 0.02 0.00 0.00 175.30 172.73 1jyn s PRO 47 N -5.26 2.03 -0.09 3.54 0.02 -1.26 -4.82 135.00 129.15 1jyn s PRO 47 Ca 0.61 1.83 0.02 0.00 0.02 0.00 0.00 61.00 63.49 1jyn s PRO 47 Cb -0.14 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1jyn s PRO 47 CO 0.53 -1.94 -0.15 0.45 -0.33 0.00 0.00 177.00 175.56 1jyn s SER 48 N -1.93 3.88 0.24 2.53 0.15 -1.26 -4.97 113.70 112.33 1jyn s SER 48 Ca 0.76 -0.31 0.22 0.00 0.70 0.00 0.00 55.95 57.32 1jyn s SER 48 Cb -0.31 -1.23 0.95 0.00 -1.71 0.00 0.00 66.02 63.72 1jyn s SER 48 CO 0.46 0.24 1.67 0.00 1.20 0.00 0.00 173.24 176.81 1jyn n GLN 49 N 3.01 0.17 -0.03 5.44 6.02 -1.26 -1.87 117.38 128.84 1jyn n GLN 49 Ca -0.18 0.43 0.13 0.00 -0.01 0.00 0.00 57.00 57.37 1jyn n GLN 49 Cb 0.52 -1.84 0.41 0.00 1.02 0.00 0.00 30.24 30.35 1jyn n GLN 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1jyn n GLN 50 N -2.16 1.82 -3.97 -1.09 3.00 -1.26 -4.67 117.38 109.06 1jyn n GLN 50 Ca 0.02 -1.21 -0.31 0.00 -0.01 0.00 0.00 57.00 55.49 1jyn n GLN 50 Cb 0.20 -1.46 -0.15 0.00 0.00 0.00 0.00 30.24 28.83 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 -1.85 3.52 0.15 1.08 2.96 -0.78 -0.93 118.68 122.82 1jyn s LEU 51 Ca 0.35 -1.65 0.05 0.00 -0.22 0.00 0.00 54.13 52.67 1jyn s LEU 51 Cb 0.20 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1jyn s LEU 51 CO 0.31 -0.30 0.08 -0.13 -1.32 0.00 0.00 176.35 174.98 1jyn s ARG 52 N 1.18 2.73 -0.11 1.98 0.52 0.11 -4.69 118.95 120.68 1jyn s ARG 52 Ca 0.02 -0.90 -0.07 0.00 -0.52 0.00 0.00 55.73 54.26 1jyn s ARG 52 Cb -0.19 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1jyn s ARG 52 CO -0.09 0.49 0.14 0.45 0.02 0.00 0.00 175.30 176.31 1jyn s SER 53 N -2.87 6.37 -0.09 0.23 0.15 -1.26 -0.61 113.70 115.62 1jyn s SER 53 Ca 0.29 0.45 0.15 0.00 0.70 0.00 0.00 55.95 57.54 1jyn s SER 53 Cb -0.10 -2.06 0.49 0.00 -1.71 0.00 0.00 66.02 62.64 1jyn s SER 53 CO 0.21 0.40 1.41 0.18 1.20 0.00 0.00 173.24 176.64 1jyn n LEU 54 N 1.89 3.75 -4.75 3.45 4.77 0.32 -4.89 117.00 121.54 1jyn n LEU 54 Ca -0.19 -2.48 -0.32 0.00 -0.03 0.00 0.00 56.01 52.99 1jyn n LEU 54 Cb 0.55 -0.43 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1jyn n LEU 54 CO 0.32 0.73 0.72 0.20 -1.33 0.00 0.00 177.39 178.03 1jyn s ASN 55 N -1.31 4.41 0.00 -1.43 0.01 -1.24 -4.85 114.94 110.53 1jyn s ASN 55 Ca 0.37 1.97 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 1jyn s ASN 55 Cb 0.25 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.37 1jyn s ASN 55 CO 0.15 -2.10 0.00 0.61 -1.51 0.00 0.00 177.10 174.25 1jyn n GLY 56 N -0.68 0.72 3.69 0.66 0.00 -0.44 -5.01 105.19 104.12 1jyn n GLY 56 Ca 0.10 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.81 4.39 0.39 1.61 2.02 -1.26 -0.96 118.70 123.08 1jyn s GLU 57 Ca 0.00 1.24 0.05 0.00 0.02 0.00 0.00 54.97 56.28 1jyn s GLU 57 Cb 0.00 -3.54 -0.06 0.00 0.10 0.00 0.00 34.13 30.63 1jyn s GLU 57 CO 0.00 -0.28 0.04 -1.58 0.02 0.00 0.00 175.26 173.46 1jyn s TRP 58 N 1.91 2.17 -0.03 1.61 0.52 0.50 -4.93 118.94 120.69 1jyn s TRP 58 Ca 0.45 -0.87 -0.01 0.00 0.02 0.00 0.00 56.10 55.69 1jyn s TRP 58 Cb -0.18 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 1jyn s TRP 58 CO 0.17 0.19 0.05 1.03 0.02 0.00 0.00 176.95 178.41 1jyn s ARG 59 N -3.80 3.03 -0.10 4.98 1.81 0.12 0.21 118.95 125.19 1jyn s ARG 59 Ca 0.32 -0.46 -0.08 0.00 -1.72 0.00 0.00 55.73 53.78 1jyn s ARG 59 Cb 0.08 -2.84 0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1jyn s ARG 59 CO 0.15 0.67 0.26 0.12 -0.68 0.00 0.00 175.30 175.82 1jyn s PHE 60 N -1.09 -0.30 -0.01 -0.53 5.36 0.93 -1.14 117.98 121.20 1jyn s PHE 60 Ca 0.19 0.72 0.02 0.00 -0.96 0.00 0.00 56.93 56.91 1jyn s PHE 60 Cb -0.12 0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 42.65 1jyn s PHE 60 CO 0.10 -0.16 -0.08 0.00 -1.46 0.00 0.00 175.22 173.62 1jyn s ALA 61 N 0.34 0.70 -0.15 11.12 0.00 -0.62 -1.20 121.76 131.95 1jyn s ALA 61 Ca -0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 1jyn s ALA 61 Cb -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1jyn s ALA 61 CO -0.01 0.16 0.13 -0.46 0.00 0.00 0.00 175.76 175.58 1jyn s TRP 62 N -0.12 3.52 0.11 0.00 -0.00 -1.26 -1.04 118.94 120.15 1jyn s TRP 62 Ca 0.02 0.45 0.07 0.00 -0.00 0.00 0.00 56.10 56.63 1jyn s TRP 62 Cb -0.04 -2.01 -0.04 0.00 -0.00 0.00 0.00 33.47 31.39 1jyn s TRP 62 CO -0.00 0.58 -0.16 -0.06 -0.00 0.00 0.00 176.95 177.30 1jyn s PHE 63 N -0.55 1.49 -0.85 5.86 0.40 0.02 -4.99 117.98 119.36 1jyn s PHE 63 Ca 0.12 -0.50 0.26 0.00 -0.60 0.00 0.00 56.93 56.22 1jyn s PHE 63 Cb -0.12 -0.79 1.00 0.00 0.51 0.00 0.00 43.02 43.62 1jyn s PHE 63 CO 0.02 0.16 1.81 -0.35 0.70 0.00 0.00 175.22 177.57 1jyn n PRO 64 N 0.75 0.12 -3.53 0.24 -0.04 -1.26 -0.25 135.00 131.03 1jyn n PRO 64 Ca -0.17 0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1jyn n PRO 64 Cb 0.56 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 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 -3.06 -1.84 0.42 0.55 0.00 -1.20 -0.87 121.76 115.76 1jyn s ALA 65 Ca 0.11 1.25 0.26 0.00 0.00 0.00 0.00 51.96 53.58 1jyn s ALA 65 Cb 0.15 -0.05 1.40 0.00 0.00 0.00 0.00 23.12 24.62 1jyn s ALA 65 CO 0.52 -0.49 2.07 -1.00 0.00 0.00 0.00 175.76 176.86 1jyn h PRO 66 N 2.39 0.00 0.00 0.00 0.13 -1.88 -1.33 132.00 131.31 1jyn h PRO 66 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1jyn h PRO 66 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jyn h PRO 66 CO 0.33 0.12 0.00 0.93 -0.23 0.00 0.00 178.00 179.15 1jyn h GLU 67 N 0.00 0.00 -0.01 0.86 3.07 -1.95 -2.22 114.58 114.33 1jyn h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jyn h GLU 67 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1jyn h GLU 67 CO 0.02 0.00 -0.21 0.00 -1.40 0.00 0.00 179.01 177.42 1jyn n ALA 68 N -1.84 2.98 -2.57 3.43 0.00 -0.50 -4.88 120.51 117.13 1jyn n ALA 68 Ca 0.01 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1jyn n ALA 68 Cb 0.18 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.43 4.53 0.30 0.00 1.01 -0.84 -5.00 120.40 117.97 1jyn s VAL 69 Ca 0.27 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.78 1jyn s VAL 69 Cb 0.20 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1jyn s VAL 69 CO 0.49 -0.05 1.16 -2.16 0.00 0.00 0.00 175.10 174.55 1jyn s PRO 70 N 2.46 4.53 0.56 2.72 0.04 -1.26 -4.93 135.00 139.12 1jyn s PRO 70 Ca 0.51 1.92 0.26 0.00 0.04 0.00 0.00 61.00 63.73 1jyn s PRO 70 Cb -0.20 -3.12 1.50 0.00 0.04 0.00 0.00 34.50 32.71 1jyn s PRO 70 CO 0.17 0.07 2.04 1.49 0.04 0.00 0.00 177.00 180.81 1jyn h GLU 71 N 3.62 0.00 0.00 4.56 4.81 -1.99 -0.15 114.58 125.44 1jyn h GLU 71 Ca -0.47 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1jyn h GLU 71 Cb 1.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1jyn h GLU 71 CO 0.66 0.00 -0.08 0.66 -0.73 0.00 0.00 179.01 179.52 1jyn h SER 72 N 0.00 0.00 -0.28 1.04 4.64 -1.92 -2.26 113.55 114.77 1jyn h SER 72 Ca 0.15 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.55 1jyn h SER 72 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1jyn h SER 72 CO -0.00 0.08 0.26 -0.25 -0.87 0.00 0.00 176.83 176.05 1jyn h TRP 73 N 0.00 0.00 -0.04 4.77 7.01 -1.16 0.11 115.95 126.64 1jyn h TRP 73 Ca -0.00 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 1jyn h TRP 73 Cb 0.16 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1jyn h TRP 73 CO 0.00 0.00 -0.45 -0.07 -2.79 0.00 0.00 178.44 175.13 1jyn h LEU 74 N 0.00 0.10 0.00 0.65 3.38 -1.59 -3.28 115.31 114.57 1jyn h LEU 74 Ca 0.13 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 1jyn h LEU 74 Cb 0.65 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1jyn h LEU 74 CO -0.00 0.55 -2.22 -0.62 0.09 0.00 0.00 178.44 176.23 1jyn n GLU 75 N -3.99 0.68 -3.63 1.13 -0.58 -0.21 -3.47 120.64 110.56 1jyn n GLU 75 Ca -0.02 -0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.57 1jyn n GLU 75 Cb 0.49 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 1jyn n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jyn n ASP 77 N 0.37 2.39 -4.69 0.00 2.03 -1.26 -4.10 116.55 111.29 1jyn n ASP 77 Ca -0.18 1.17 -0.41 0.00 0.52 0.00 0.00 54.79 55.88 1jyn n ASP 77 Cb 0.60 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.57 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 -0.09 4.25 0.46 -2.67 1.43 -1.26 -4.94 118.68 115.86 1jyn s LEU 78 Ca 0.64 1.30 0.11 0.00 -1.03 0.00 0.00 54.13 55.15 1jyn s LEU 78 Cb -0.66 -3.29 1.04 0.00 0.03 0.00 0.00 46.19 43.31 1jyn s LEU 78 CO 0.55 -0.31 2.10 -0.65 0.23 0.00 0.00 176.35 178.27 1jyn h PRO 79 N 7.07 0.30 -0.03 1.29 0.11 -2.03 0.10 132.00 138.82 1jyn h PRO 79 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1jyn h PRO 79 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jyn h PRO 79 CO 0.80 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.95 1jyn n GLU 80 N -4.50 1.17 -1.28 1.05 0.00 -1.26 -4.87 120.64 110.95 1jyn n GLU 80 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 57.16 56.60 1jyn n GLU 80 Cb 0.07 -1.38 0.09 0.00 0.00 0.00 0.00 31.44 30.22 1jyn n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jyn s ALA 81 N -1.97 2.22 0.25 -1.84 0.00 0.35 -4.95 121.76 115.81 1jyn s ALA 81 Ca 0.35 0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.74 1jyn s ALA 81 Cb 0.17 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1jyn s ALA 81 CO 0.28 -1.79 0.02 -0.51 0.00 0.00 0.00 175.76 173.76 1jyn s ASP 82 N -3.21 4.70 -0.10 0.00 1.01 -0.34 -4.85 116.67 113.88 1jyn s ASP 82 Ca 0.63 -0.55 -0.16 0.00 0.71 0.00 0.00 52.55 53.17 1jyn s ASP 82 Cb -0.18 -0.94 -0.05 0.00 1.01 0.00 0.00 42.92 42.76 1jyn s ASP 82 CO 0.54 0.02 0.42 -0.89 0.21 0.00 0.00 175.17 175.46 1jyn s THR 83 N -2.17 5.18 0.13 -1.27 2.01 -1.26 -0.05 115.64 118.21 1jyn s THR 83 Ca 0.31 0.83 -0.00 0.00 0.31 0.00 0.00 61.69 63.14 1jyn s THR 83 Cb -0.07 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1jyn s THR 83 CO 0.20 0.39 0.03 0.68 -0.69 0.00 0.00 174.62 175.23 1jyn s VAL 84 N 0.23 0.30 0.23 3.82 -7.23 0.13 -4.93 120.40 112.94 1jyn s VAL 84 Ca 0.23 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.22 1jyn s VAL 84 Cb -0.15 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 1jyn s VAL 84 CO 0.09 -0.53 0.85 -0.69 -0.31 0.00 0.00 175.10 174.51 1jyn s VAL 85 N -3.91 4.29 -0.04 1.32 1.01 -1.26 -0.37 120.40 121.44 1jyn s VAL 85 Ca 0.22 1.77 0.03 0.00 0.00 0.00 0.00 61.98 63.99 1jyn s VAL 85 Cb 0.07 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1jyn s VAL 85 CO 0.01 0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.71 1jyn s VAL 86 N -1.31 0.94 0.56 2.92 1.01 -0.13 -4.04 120.40 120.35 1jyn s VAL 86 Ca 0.41 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1jyn s VAL 86 Cb -0.22 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1jyn s VAL 86 CO 0.26 0.30 1.04 -2.16 0.00 0.00 0.00 175.10 174.54 1jyn s PRO 87 N 0.39 3.55 0.10 2.72 0.04 -1.26 -1.33 135.00 139.21 1jyn s PRO 87 Ca -0.07 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.88 1jyn s PRO 87 Cb -0.12 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.43 1jyn s PRO 87 CO 0.02 -0.62 0.92 -1.54 0.04 0.00 0.00 177.00 175.82 1jyn s SER 88 N -2.71 -0.25 -0.24 6.66 1.04 -0.18 -4.93 113.70 113.08 1jyn s SER 88 Ca 0.63 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.73 1jyn s SER 88 Cb -0.15 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1jyn s SER 88 CO 0.32 -0.82 0.05 0.20 0.98 0.00 0.00 173.24 173.97 1jyn s ASN 89 N -2.79 4.96 0.59 7.02 -0.87 -1.26 -3.18 114.94 119.41 1jyn s ASN 89 Ca 0.09 -0.24 0.34 0.00 -1.57 0.00 0.00 52.86 51.48 1jyn s ASN 89 Cb -0.01 -1.89 1.86 0.00 -0.02 0.00 0.00 41.25 41.19 1jyn s ASN 89 CO -0.02 -0.03 2.21 4.11 -2.57 0.00 0.00 177.10 180.80 1jyn h TRP 90 N 8.21 0.00 -0.03 2.20 0.09 -1.82 -0.44 115.95 124.15 1jyn h TRP 90 Ca -0.39 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 58.55 1jyn h TRP 90 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.40 1jyn h TRP 90 CO 0.65 0.04 -0.19 1.96 0.09 0.00 0.00 178.44 180.99 1jyn h GLN 91 N 0.00 0.05 0.00 0.12 7.50 -1.79 -1.90 115.11 119.09 1jyn h GLN 91 Ca -0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1jyn h GLN 91 Cb 0.15 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.67 1jyn h GLN 91 CO 0.00 0.24 0.00 0.52 -1.50 0.00 0.00 178.83 178.10 1jyn h MET 92 N 0.05 0.00 -0.51 1.46 2.86 -1.37 -1.59 114.93 115.83 1jyn h MET 92 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1jyn h MET 92 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jyn h MET 92 CO 0.03 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.72 1jyn n HIS 93 N -2.57 0.67 -1.00 -0.22 8.25 -0.73 -4.96 115.22 114.66 1jyn n HIS 93 Ca 0.01 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1jyn n HIS 93 Cb 0.23 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 1.56 0.53 0.24 -1.41 0.00 -0.60 -4.95 105.19 100.56 1jyn n GLY 94 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 0.30 -3.28 1.61 0.05 -1.73 -3.46 116.97 110.47 1jyn h TYR 95 Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1jyn h TYR 95 Cb 0.01 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 1jyn h TYR 95 CO 0.00 0.40 0.11 0.16 -1.05 0.00 0.00 178.16 177.79 1jyn s ASP 96 N -6.86 -0.02 0.08 3.88 1.47 -1.26 -5.05 116.67 108.90 1jyn s ASP 96 Ca -0.06 -0.92 -0.18 0.00 1.18 0.00 0.00 52.55 52.57 1jyn s ASP 96 Cb 0.15 0.72 -0.07 0.00 -0.34 0.00 0.00 42.92 43.39 1jyn s ASP 96 CO 0.74 -1.39 0.54 0.00 0.68 0.00 0.00 175.17 175.75 1jyn s ALA 97 N -3.42 3.60 0.56 2.11 0.00 -1.26 -4.39 121.76 118.96 1jyn s ALA 97 Ca 0.17 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 1jyn s ALA 97 Cb -0.04 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 1jyn s ALA 97 CO 0.10 0.42 1.02 -1.25 0.00 0.00 0.00 175.76 176.05 1jyn s PRO 98 N -1.24 3.61 -0.08 0.00 0.04 -1.26 -4.99 135.00 131.07 1jyn s PRO 98 Ca 0.30 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.47 1jyn s PRO 98 Cb -0.18 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 1jyn s PRO 98 CO 0.18 -0.56 -0.24 0.42 0.04 0.00 0.00 177.00 176.84 1jyn s ILE 99 N -2.54 2.06 -0.43 0.56 1.01 -1.14 -4.71 121.20 116.01 1jyn s ILE 99 Ca 0.61 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1jyn s ILE 99 Cb -0.13 -1.76 0.11 0.00 0.01 0.00 0.00 42.46 40.69 1jyn s ILE 99 CO 0.35 0.56 0.25 -0.47 0.00 0.00 0.00 174.94 175.63 1jyn s TYR 100 N 0.11 3.53 0.02 3.97 5.04 -1.26 0.34 117.35 129.10 1jyn s TYR 100 Ca -0.12 -2.23 0.06 0.00 -2.44 0.00 0.00 57.07 52.34 1jyn s TYR 100 Cb -0.16 -3.29 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 1jyn s TYR 100 CO 0.07 -0.98 -0.18 -0.08 -1.34 0.00 0.00 175.55 173.04 1jyn s THR 101 N 1.21 1.42 0.00 4.34 -1.32 -1.26 -1.09 115.64 118.95 1jyn s THR 101 Ca 0.07 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1jyn s THR 101 Cb -0.24 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 1jyn s THR 101 CO -0.03 0.22 0.00 -3.20 -2.21 0.00 0.00 174.62 169.40 1jyn n ASN 102 N 2.14 0.00 -0.08 8.08 2.85 -1.26 -3.97 115.26 123.01 1jyn n ASN 102 Ca -0.16 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.08 1jyn n ASN 102 Cb 0.54 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.44 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 -0.76 1.60 -1.82 3.44 0.31 -1.26 -4.15 118.33 115.68 1jyn n VAL 103 Ca 0.00 -0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 63.52 1jyn n VAL 103 Cb 0.00 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.10 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 2.24 0.69 2.52 2.01 -1.26 -3.30 115.64 116.07 1jyn s THR 104 Ca -0.30 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 1jyn s THR 104 Cb 0.09 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.49 1jyn s THR 104 CO 0.63 0.02 1.25 -0.31 -0.69 0.00 0.00 174.62 175.52 1jyn s TYR 105 N 0.63 2.04 -1.60 4.92 2.02 -1.26 -4.87 117.35 119.23 1jyn s TYR 105 Ca 0.68 1.55 0.30 0.00 -0.37 0.00 0.00 57.07 59.23 1jyn s TYR 105 Cb -0.47 -3.59 1.49 0.00 -0.40 0.00 0.00 41.96 38.99 1jyn s TYR 105 CO 0.39 -2.80 2.02 -0.35 -1.57 0.00 0.00 175.55 173.24 1jyn n PRO 106 N -2.32 0.62 -4.41 -1.71 -0.04 -1.26 -4.75 135.00 121.12 1jyn n PRO 106 Ca 0.15 -0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1jyn n PRO 106 Cb 0.49 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.44 1.82 0.40 0.52 -4.36 -1.26 -5.07 121.20 110.81 1jyn s ILE 107 Ca 0.32 -2.19 -0.27 0.00 -0.26 0.00 0.00 60.65 58.25 1jyn s ILE 107 Cb 0.20 -2.31 -0.09 0.00 1.25 0.00 0.00 42.46 41.51 1jyn s ILE 107 CO 0.45 -0.40 1.36 -0.89 0.24 0.00 0.00 174.94 175.70 1jyn s THR 108 N -2.91 2.42 -0.68 8.37 2.01 -1.26 -4.88 115.64 118.71 1jyn s THR 108 Ca 0.27 0.40 -0.26 0.00 0.31 0.00 0.00 61.69 62.41 1jyn s THR 108 Cb 0.01 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.32 1jyn s THR 108 CO 0.11 0.07 1.15 -0.69 -0.69 0.00 0.00 174.62 174.57 1jyn s VAL 109 N -1.20 3.99 -0.45 3.82 1.01 -1.26 -4.80 120.40 121.50 1jyn s VAL 109 Ca 0.56 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.85 1jyn s VAL 109 Cb -0.41 -4.80 0.28 0.00 0.00 0.00 0.00 36.38 31.46 1jyn s VAL 109 CO 0.54 -1.62 0.90 -3.20 0.00 0.00 0.00 175.10 171.72 1jyn n ASN 110 N 8.62 -1.77 -4.76 3.32 5.15 -1.26 -5.12 115.26 119.44 1jyn n ASN 110 Ca 0.02 -3.32 -0.40 0.00 -0.60 0.00 0.00 54.58 50.27 1jyn n ASN 110 Cb 0.48 1.19 0.01 0.00 -0.53 0.00 0.00 39.78 40.93 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 0.98 2.37 -0.73 1.20 -0.04 -1.26 -0.53 135.00 136.99 1jyn n PRO 111 Ca 0.12 0.84 0.06 0.00 -0.04 0.00 0.00 63.50 64.48 1jyn n PRO 111 Cb 0.64 -2.62 0.34 0.00 -0.04 0.00 0.00 33.50 31.83 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 0.06 4.16 -2.44 0.54 -0.04 -1.26 -5.11 135.00 130.91 1jyn n PRO 112 Ca 0.04 -2.67 -0.30 0.00 -0.04 0.00 0.00 63.50 60.52 1jyn n PRO 112 Cb 0.40 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 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 -2.36 3.52 0.40 0.54 0.08 0.30 -4.43 117.98 116.04 1jyn s PHE 113 Ca 0.47 1.19 0.05 0.00 0.12 0.00 0.00 56.93 58.75 1jyn s PHE 113 Cb 0.34 -2.59 -0.06 0.00 -0.57 0.00 0.00 43.02 40.14 1jyn s PHE 113 CO 0.15 -0.36 0.03 0.14 -0.10 0.00 0.00 175.22 175.08 1jyn s VAL 114 N -2.71 1.60 0.57 -0.44 -7.23 -1.26 -4.55 120.40 106.38 1jyn s VAL 114 Ca 0.54 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 1jyn s VAL 114 Cb -0.10 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1jyn s VAL 114 CO 0.39 0.00 1.31 -2.84 -0.31 0.00 0.00 175.10 173.65 1jyn s PRO 115 N -3.78 3.01 0.36 4.82 0.02 -1.26 -4.88 135.00 133.29 1jyn s PRO 115 Ca 0.30 2.10 0.19 0.00 0.02 0.00 0.00 61.00 63.61 1jyn s PRO 115 Cb 0.08 -2.12 0.61 0.00 0.02 0.00 0.00 34.50 33.09 1jyn s PRO 115 CO 0.15 -1.25 1.70 1.79 -0.33 0.00 0.00 177.00 179.06 1jyn h THR 116 N 1.17 0.86 -3.24 0.99 1.35 -1.99 -3.33 112.91 108.72 1jyn h THR 116 Ca -0.51 -1.60 -0.62 0.00 -0.55 0.00 0.00 66.41 63.14 1jyn h THR 116 Cb 1.31 1.99 -0.13 0.00 -1.73 0.00 0.00 68.15 69.59 1jyn h THR 116 CO 0.56 0.38 0.51 -1.61 -0.25 0.00 0.00 175.52 175.11 1jyn s GLU 117 N -3.52 3.32 -0.31 4.72 2.02 -1.26 -4.73 118.70 118.94 1jyn s GLU 117 Ca 0.01 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 1jyn s GLU 117 Cb 0.10 -4.05 0.10 0.00 0.10 0.00 0.00 34.13 30.39 1jyn s GLU 117 CO 0.69 -1.44 0.11 1.21 0.02 0.00 0.00 175.26 175.85 1jyn s ASN 118 N 2.78 3.86 0.11 -0.19 2.47 -0.05 -4.98 114.94 118.95 1jyn s ASN 118 Ca 0.29 -1.54 -0.35 0.00 0.42 0.00 0.00 52.86 51.68 1jyn s ASN 118 Cb -0.13 -0.69 -0.17 0.00 -1.45 0.00 0.00 41.25 38.81 1jyn s ASN 118 CO 0.19 -0.42 1.21 -2.65 -3.72 0.00 0.00 177.10 171.70 1jyn n PRO 119 N 4.96 0.94 -4.80 0.43 -0.02 -1.22 -3.23 135.00 132.07 1jyn n PRO 119 Ca -0.03 0.34 -0.28 0.00 -2.02 0.00 0.00 63.50 61.50 1jyn n PRO 119 Cb 0.42 -1.88 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 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 0.11 1.57 -0.30 3.45 2.01 0.66 -1.23 115.64 121.91 1jyn s THR 120 Ca 0.81 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 62.02 1jyn s THR 120 Cb -0.96 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1jyn s THR 120 CO 0.51 0.45 0.08 -0.83 -0.69 0.00 0.00 174.62 174.14 1jyn s GLY 121 N 0.61 1.79 -0.65 4.40 0.00 0.19 -0.80 107.32 112.86 1jyn s GLY 121 Ca -0.14 -1.48 -0.18 0.00 0.00 0.00 0.00 44.72 42.91 1jyn s GLY 121 CO 0.04 0.66 0.74 0.00 0.00 0.00 0.00 173.10 174.55 1jyn s TYR 123 N 2.34 3.37 0.13 0.00 1.51 0.00 -1.58 117.35 123.13 1jyn s TYR 123 Ca 0.14 0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 56.17 1jyn s TYR 123 Cb -0.21 -1.66 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1jyn s TYR 123 CO 0.03 0.54 0.39 -1.54 -1.11 0.00 0.00 175.55 173.86 1jyn s SER 124 N -2.81 -0.19 -0.23 2.29 1.04 -0.29 0.10 113.70 113.61 1jyn s SER 124 Ca 0.33 -0.39 -0.17 0.00 0.48 0.00 0.00 55.95 56.20 1jyn s SER 124 Cb -0.12 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.54 1jyn s SER 124 CO 0.26 -0.87 0.58 -0.22 0.98 0.00 0.00 173.24 173.98 1jyn s LEU 125 N -2.83 -0.42 -0.21 2.42 2.96 -0.86 -0.71 118.68 119.04 1jyn s LEU 125 Ca 0.05 1.22 -0.07 0.00 -0.22 0.00 0.00 54.13 55.11 1jyn s LEU 125 Cb 0.02 1.99 -0.03 0.00 0.50 0.00 0.00 46.19 48.67 1jyn s LEU 125 CO -0.10 -0.21 0.05 -0.89 -1.32 0.00 0.00 176.35 173.88 1jyn s THR 126 N 0.91 4.43 0.18 3.68 2.01 -1.26 -0.40 115.64 125.19 1jyn s THR 126 Ca -0.05 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.75 1jyn s THR 126 Cb -0.05 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 1jyn s THR 126 CO -0.08 0.41 0.21 0.72 -0.69 0.00 0.00 174.62 175.19 1jyn s PHE 127 N 0.94 0.71 -0.02 4.92 -0.71 0.18 -4.93 117.98 119.07 1jyn s PHE 127 Ca 0.03 -1.04 -0.03 0.00 -1.04 0.00 0.00 56.93 54.85 1jyn s PHE 127 Cb -0.14 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 1jyn s PHE 127 CO 0.03 -0.68 0.18 1.21 -1.34 0.00 0.00 175.22 174.61 1jyn s ASN 128 N -3.04 6.36 -0.05 1.98 2.47 -1.26 0.26 114.94 121.64 1jyn s ASN 128 Ca 0.25 0.35 0.02 0.00 0.42 0.00 0.00 52.86 53.90 1jyn s ASN 128 Cb 0.05 -2.00 0.02 0.00 -1.45 0.00 0.00 41.25 37.87 1jyn s ASN 128 CO 0.05 0.27 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.92 1jyn s VAL 129 N -1.30 0.86 0.37 -5.21 1.01 0.27 -4.97 120.40 111.43 1jyn s VAL 129 Ca 0.26 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 1jyn s VAL 129 Cb -0.13 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 1jyn s VAL 129 CO 0.18 0.29 1.05 -1.81 0.00 0.00 0.00 175.10 174.81 1jyn s ASP 130 N 0.72 6.87 0.38 3.32 1.01 -1.26 -1.17 116.67 126.54 1jyn s ASP 130 Ca -0.13 2.07 0.14 0.00 0.71 0.00 0.00 52.55 55.34 1jyn s ASP 130 Cb -0.15 -2.59 0.97 0.00 1.01 0.00 0.00 42.92 42.16 1jyn s ASP 130 CO 0.02 -0.41 1.84 -0.08 0.21 0.00 0.00 175.17 176.75 1jyn h GLU 131 N 2.77 0.52 -0.02 8.23 4.81 -1.94 -0.51 114.58 128.43 1jyn h GLU 131 Ca -0.48 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1jyn h GLU 131 Cb 1.21 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1jyn h GLU 131 CO 0.63 0.34 0.02 0.66 -0.73 0.00 0.00 179.01 179.93 1jyn h SER 132 N 0.53 0.00 1.47 1.04 4.64 -2.00 0.18 113.55 119.41 1jyn h SER 132 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1jyn h SER 132 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1jyn h SER 132 CO -0.22 0.00 0.00 -0.50 -0.87 0.00 0.00 176.83 175.24 1jyn h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.40 -3.02 115.95 120.36 1jyn h TRP 133 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1jyn h TRP 133 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1jyn h TRP 133 CO 0.00 0.00 -0.85 1.28 -3.56 0.00 0.00 178.44 175.31 1jyn n LEU 134 N -3.00 0.74 0.09 -4.49 4.77 0.52 -4.15 117.00 111.49 1jyn n LEU 134 Ca 0.02 -0.23 0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1jyn n LEU 134 Cb 0.41 -0.10 0.41 0.00 -2.33 0.00 0.00 43.42 41.80 1jyn n LEU 134 CO 0.30 0.17 0.85 0.00 -1.33 0.00 0.00 177.39 177.38 1jyn n GLN 135 N -1.59 0.24 -3.62 3.23 1.13 -0.54 -4.92 117.38 111.31 1jyn n GLN 135 Ca 0.04 0.18 -0.09 0.00 -1.94 0.00 0.00 57.00 55.19 1jyn n GLN 135 Cb 0.35 -1.77 -0.02 0.00 0.11 0.00 0.00 30.24 28.92 1jyn n GLN 135 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1jyn s GLU 136 N -3.09 1.40 1.61 -1.09 -1.05 -1.26 -5.12 118.70 110.10 1jyn s GLU 136 Ca 0.11 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 1jyn s GLU 136 Cb 0.13 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.38 1jyn s GLU 136 CO 0.60 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.59 1jyn n GLY 137 N -0.40 -1.38 3.24 -3.83 0.00 -1.26 -4.82 105.19 96.74 1jyn n GLY 137 Ca -0.10 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 2.61 -0.21 1.61 0.74 0.15 -4.81 119.66 119.75 1jyn s GLN 138 Ca 0.00 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 54.51 1jyn s GLN 138 Cb 0.00 -2.14 0.00 0.00 1.10 0.00 0.00 33.01 31.97 1jyn s GLN 138 CO 0.00 0.32 -0.08 0.99 -0.55 0.00 0.00 175.29 175.97 1jyn s THR 139 N -0.02 3.04 0.17 -0.34 2.01 -1.26 -0.57 115.64 118.67 1jyn s THR 139 Ca -0.08 -0.64 0.10 0.00 0.31 0.00 0.00 61.69 61.39 1jyn s THR 139 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1jyn s THR 139 CO 0.05 0.43 -0.20 0.00 -0.69 0.00 0.00 174.62 174.21 1jyn s ARG 140 N 1.43 1.69 -0.02 4.92 1.70 -0.48 0.10 118.95 128.29 1jyn s ARG 140 Ca 0.05 -1.39 0.01 0.00 -0.47 0.00 0.00 55.73 53.93 1jyn s ARG 140 Cb -0.14 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.23 1jyn s ARG 140 CO -0.06 0.42 -0.01 -1.50 -1.08 0.00 0.00 175.30 173.08 1jyn s ILE 141 N -1.55 4.10 -0.09 4.99 2.07 -0.59 -0.67 121.20 129.47 1jyn s ILE 141 Ca 0.21 -0.56 0.02 0.00 -1.41 0.00 0.00 60.65 58.90 1jyn s ILE 141 Cb -0.09 -2.80 0.02 0.00 0.13 0.00 0.00 42.46 39.71 1jyn s ILE 141 CO 0.11 0.42 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.81 1jyn s ILE 142 N -1.04 1.24 -0.32 2.00 1.01 0.14 -2.08 121.20 122.16 1jyn s ILE 142 Ca 0.18 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1jyn s ILE 142 Cb -0.11 -1.15 0.04 0.00 0.01 0.00 0.00 42.46 41.25 1jyn s ILE 142 CO 0.08 0.39 0.06 -0.36 0.00 0.00 0.00 174.94 175.11 1jyn s PHE 143 N 0.94 3.26 0.26 3.97 0.40 -0.17 -1.12 117.98 125.52 1jyn s PHE 143 Ca -0.09 -1.61 0.28 0.00 -0.60 0.00 0.00 56.93 54.91 1jyn s PHE 143 Cb -0.15 -2.20 1.26 0.00 0.51 0.00 0.00 43.02 42.44 1jyn s PHE 143 CO 0.00 -0.76 1.97 -0.44 0.70 0.00 0.00 175.22 176.69 1jyn h ASP 144 N 8.12 0.00 -1.49 1.36 3.32 -1.35 -1.27 116.42 125.11 1jyn h ASP 144 Ca -0.22 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.95 1jyn h ASP 144 Cb 1.07 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 1jyn h ASP 144 CO 0.57 0.14 0.05 -0.83 -1.72 0.00 0.00 179.24 177.45 1jyn s GLY 145 N -4.23 -0.45 -0.04 2.75 0.00 -1.26 -3.39 107.32 100.69 1jyn s GLY 145 Ca -0.01 2.71 -0.01 0.00 0.00 0.00 0.00 44.72 47.41 1jyn s GLY 145 CO 0.59 3.16 0.03 0.14 0.00 0.00 0.00 173.10 177.02 1jyn s VAL 146 N 2.67 0.10 -0.22 1.40 1.01 -1.25 -1.64 120.40 122.47 1jyn s VAL 146 Ca -0.04 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1jyn s VAL 146 Cb -0.09 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.05 1jyn s VAL 146 CO -0.18 0.18 -0.14 0.21 0.00 0.00 0.00 175.10 175.17 1jyn s ASN 147 N 1.72 3.82 0.00 3.32 3.84 -0.53 -3.95 114.94 123.16 1jyn s ASN 147 Ca -0.00 -0.93 0.08 0.00 0.21 0.00 0.00 52.86 52.22 1jyn s ASN 147 Cb -0.13 -1.54 -0.09 0.00 -0.55 0.00 0.00 41.25 38.94 1jyn s ASN 147 CO -0.03 -0.09 0.36 -1.54 -2.79 0.00 0.00 177.10 173.01 1jyn n SER 148 N 4.57 0.41 -3.50 -4.21 3.41 -0.50 -1.22 113.62 112.58 1jyn n SER 148 Ca -0.18 -0.70 -0.15 0.00 -0.26 0.00 0.00 58.87 57.58 1jyn n SER 148 Cb 0.47 0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 65.36 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 -1.76 -1.76 -0.02 7.33 0.00 -1.22 -3.91 121.76 120.42 1jyn s ALA 149 Ca 0.03 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 1jyn s ALA 149 Cb 0.06 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.40 1jyn s ALA 149 CO 0.33 -0.49 0.61 -0.59 0.00 0.00 0.00 175.76 175.62 1jyn s PHE 150 N -1.99 -0.56 -0.00 0.00 -0.71 0.14 -1.17 117.98 113.69 1jyn s PHE 150 Ca -0.05 0.90 0.02 0.00 -1.04 0.00 0.00 56.93 56.75 1jyn s PHE 150 Cb -0.00 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1jyn s PHE 150 CO 0.01 -0.60 -0.01 -1.01 -1.34 0.00 0.00 175.22 172.28 1jyn s HIS 151 N -1.49 3.05 -0.06 3.49 3.76 -0.61 -1.66 115.29 121.77 1jyn s HIS 151 Ca -0.10 0.06 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1jyn s HIS 151 Cb -0.01 -1.66 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 1jyn s HIS 151 CO 0.07 0.45 -0.19 -1.17 -0.85 0.00 0.00 174.74 173.05 1jyn s LEU 152 N -1.53 1.92 0.08 0.89 2.96 -0.14 -0.85 118.68 122.00 1jyn s LEU 152 Ca 0.19 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1jyn s LEU 152 Cb -0.11 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1jyn s LEU 152 CO 0.10 0.15 -0.21 0.26 -1.32 0.00 0.00 176.35 175.33 1jyn s TRP 153 N 0.17 1.78 -0.11 5.38 0.51 -0.08 0.01 118.94 126.60 1jyn s TRP 153 Ca -0.08 -0.40 0.01 0.00 -2.12 0.00 0.00 56.10 53.50 1jyn s TRP 153 Cb -0.14 -1.01 0.02 0.00 -0.81 0.00 0.00 33.47 31.53 1jyn s TRP 153 CO 0.04 0.15 -0.11 0.00 -0.51 0.00 0.00 176.95 176.53 1jyn n ASN 155 N 4.58 -4.72 0.00 0.00 3.02 0.14 -1.66 115.26 116.62 1jyn n ASN 155 Ca -0.16 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1jyn n ASN 155 Cb 0.51 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 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 -1.59 1.08 3.63 7.41 0.00 -1.23 -5.02 105.19 109.47 1jyn n GLY 156 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.08 3.09 0.14 1.61 0.52 -0.66 -4.90 118.95 118.66 1jyn s ARG 157 Ca 0.00 -0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 1jyn s ARG 157 Cb 0.00 -2.79 -0.07 0.00 0.52 0.00 0.00 34.95 32.61 1jyn s ARG 157 CO 0.00 0.60 1.26 -0.46 0.02 0.00 0.00 175.30 176.72 1jyn s TRP 158 N -0.61 3.36 -0.19 -0.53 -0.00 -1.26 -0.43 118.94 119.28 1jyn s TRP 158 Ca 0.10 1.25 -0.12 0.00 -0.00 0.00 0.00 56.10 57.33 1jyn s TRP 158 Cb -0.12 -3.51 -0.08 0.00 -0.00 0.00 0.00 33.47 29.76 1jyn s TRP 158 CO 0.02 -1.59 -0.28 0.28 -0.00 0.00 0.00 176.95 175.37 1jyn n VAL 159 N 3.24 1.29 -3.07 5.86 0.31 0.10 -4.90 118.33 121.16 1jyn n VAL 159 Ca 0.07 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1jyn n VAL 159 Cb 0.44 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 1.69 -0.99 3.13 2.92 0.00 -1.11 -4.72 105.19 106.11 1jyn n GLY 160 Ca -0.33 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 0.07 0.01 1.61 5.04 -0.48 -0.97 117.35 119.63 1jyn s TYR 161 Ca 0.00 -0.23 -0.16 0.00 -2.44 0.00 0.00 57.07 54.24 1jyn s TYR 161 Cb 0.00 -0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.28 1jyn s TYR 161 CO 0.00 -0.34 0.34 0.20 -1.34 0.00 0.00 175.55 174.41 1jyn s GLY 162 N -1.71 -0.18 0.42 8.97 0.00 -0.67 -0.50 107.32 113.65 1jyn s GLY 162 Ca -0.10 0.26 0.04 0.00 0.00 0.00 0.00 44.72 44.91 1jyn s GLY 162 CO -0.01 0.04 0.13 1.20 0.00 0.00 0.00 173.10 174.45 1jyn s GLN 163 N -1.88 1.95 -0.02 2.90 -0.21 -0.61 -0.68 119.66 121.11 1jyn s GLN 163 Ca -0.09 -2.19 -0.01 0.00 0.02 0.00 0.00 55.36 53.09 1jyn s GLN 163 Cb -0.03 -0.64 0.00 0.00 1.00 0.00 0.00 33.01 33.34 1jyn s GLN 163 CO 0.01 -0.48 0.01 -3.47 -2.12 0.00 0.00 175.29 169.24 1jyn n ASP 164 N -1.33 -2.05 0.08 5.90 -0.08 -1.25 -4.92 116.55 112.89 1jyn n ASP 164 Ca -0.06 0.09 0.08 0.00 -1.51 0.00 0.00 54.79 53.39 1jyn n ASP 164 Cb 0.65 -1.29 0.37 0.00 2.34 0.00 0.00 41.12 43.19 1jyn n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jyn n SER 165 N 0.09 0.34 -0.44 1.67 7.64 -1.25 -3.60 113.62 118.06 1jyn n SER 165 Ca -0.02 0.61 0.04 0.00 1.01 0.00 0.00 58.87 60.51 1jyn n SER 165 Cb 0.03 -0.67 0.11 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.90 2.90 -4.18 1.43 5.12 -1.26 -3.76 116.66 115.00 1jyn n ARG 166 Ca 0.01 -1.90 -0.11 0.00 -1.93 0.00 0.00 57.85 53.92 1jyn n ARG 166 Cb 0.13 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.13 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 -1.06 2.50 0.38 0.55 1.43 -1.24 -4.44 118.68 116.81 1jyn s LEU 167 Ca 0.16 -0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 52.02 1jyn s LEU 167 Cb 0.09 -0.14 -0.09 0.00 0.03 0.00 0.00 46.19 46.08 1jyn s LEU 167 CO 0.11 -0.42 1.22 -2.16 0.23 0.00 0.00 176.35 175.33 1jyn s PRO 168 N -3.70 4.14 -0.16 1.29 0.04 -1.22 -4.49 135.00 130.90 1jyn s PRO 168 Ca 0.12 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1jyn s PRO 168 Cb 0.04 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1jyn s PRO 168 CO -0.03 -0.29 -0.17 -1.12 0.04 0.00 0.00 177.00 175.43 1jyn s SER 169 N -0.89 3.46 -0.03 6.66 0.01 -0.48 -4.97 113.70 117.47 1jyn s SER 169 Ca 0.54 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 57.33 1jyn s SER 169 Cb -0.34 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 1jyn s SER 169 CO 0.44 0.06 -0.22 -1.61 0.41 0.00 0.00 173.24 172.32 1jyn s GLU 170 N 0.96 1.89 0.01 12.44 2.02 -1.26 -1.00 118.70 133.76 1jyn s GLU 170 Ca -0.03 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1jyn s GLU 170 Cb -0.15 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 1jyn s GLU 170 CO -0.03 0.43 -0.07 -0.06 0.02 0.00 0.00 175.26 175.55 1jyn s PHE 171 N -0.39 0.65 -0.18 1.61 0.08 -0.88 -0.00 117.98 118.86 1jyn s PHE 171 Ca 0.05 -0.22 -0.24 0.00 0.12 0.00 0.00 56.93 56.64 1jyn s PHE 171 Cb -0.10 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.93 1jyn s PHE 171 CO 0.00 -0.02 0.79 0.34 -0.10 0.00 0.00 175.22 176.22 1jyn s ASP 172 N -0.58 6.89 0.00 1.36 -1.08 -1.26 -1.54 116.67 120.46 1jyn s ASP 172 Ca -0.01 1.09 0.17 0.00 -0.52 0.00 0.00 52.55 53.29 1jyn s ASP 172 Cb -0.05 -2.43 0.49 0.00 -1.46 0.00 0.00 42.92 39.47 1jyn s ASP 172 CO 0.00 -0.37 1.40 0.18 0.52 0.00 0.00 175.17 176.90 1jyn n LEU 173 N 5.22 3.48 -0.27 -1.34 4.77 0.11 -4.67 117.00 124.30 1jyn n LEU 173 Ca 0.03 -1.96 0.04 0.00 -0.03 0.00 0.00 56.01 54.09 1jyn n LEU 173 Cb 0.49 -0.36 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1jyn n LEU 173 CO 0.47 0.86 0.74 0.28 -1.33 0.00 0.00 177.39 178.42 1jyn h SER 174 N 3.32 -0.61 -0.00 -1.43 0.02 -1.81 0.41 113.55 113.47 1jyn h SER 174 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1jyn h SER 174 Cb 0.87 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1jyn h SER 174 CO 0.00 -0.24 0.00 0.00 -1.14 0.00 0.00 176.83 175.45 1jyn n ALA 175 N -3.19 2.68 0.29 3.77 0.00 -1.26 -3.84 120.51 118.96 1jyn n ALA 175 Ca 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1jyn n ALA 175 Cb 0.44 -1.50 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.96 0.00 -2.96 0.00 3.01 0.14 -5.02 117.46 111.66 1jyn n PHE 176 Ca 0.23 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.50 1jyn n PHE 176 Cb 0.11 -0.12 0.02 0.00 -0.01 0.00 0.00 39.48 39.48 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 -3.11 3.59 0.06 4.37 1.43 -0.94 -4.72 118.68 119.35 1jyn s LEU 177 Ca 0.00 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1jyn s LEU 177 Cb 0.08 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1jyn s LEU 177 CO 0.47 -0.82 0.04 0.00 0.23 0.00 0.00 176.35 176.27 1jyn s ARG 178 N -4.47 0.64 0.50 1.70 1.70 -1.26 -5.05 118.95 112.71 1jyn s ARG 178 Ca 0.54 -1.07 -0.23 0.00 -0.47 0.00 0.00 55.73 54.49 1jyn s ARG 178 Cb -0.10 0.24 -0.07 0.00 -0.57 0.00 0.00 34.95 34.45 1jyn s ARG 178 CO 0.35 -0.15 1.36 0.00 -1.08 0.00 0.00 175.30 175.78 1jyn n ALA 179 N 0.24 1.66 0.00 7.88 0.00 -1.26 -4.53 120.51 124.49 1jyn n ALA 179 Ca -0.15 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1jyn n ALA 179 Cb 0.61 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1jyn n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyn n GLY 180 N 0.72 0.59 3.76 0.00 0.00 -0.32 -4.92 105.19 105.01 1jyn n GLY 180 Ca 0.08 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 4.68 0.05 1.61 2.02 -1.26 -0.57 118.70 125.24 1jyn s GLU 181 Ca 0.00 1.73 -0.05 0.00 0.02 0.00 0.00 54.97 56.67 1jyn s GLU 181 Cb 0.00 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1jyn s GLU 181 CO 0.00 0.27 0.09 -0.80 0.02 0.00 0.00 175.26 174.84 1jyn s ASN 182 N -0.88 0.24 -0.05 -0.19 0.01 0.14 -4.77 114.94 109.44 1jyn s ASN 182 Ca 0.44 -0.68 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1jyn s ASN 182 Cb -0.30 0.25 0.02 0.00 0.41 0.00 0.00 41.25 41.62 1jyn s ASN 182 CO 0.39 -0.59 -0.07 -0.60 -1.51 0.00 0.00 177.10 174.72 1jyn s ARG 183 N -3.28 1.08 0.16 -0.60 3.52 -1.26 0.51 118.95 119.08 1jyn s ARG 183 Ca 0.01 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.35 1jyn s ARG 183 Cb 0.03 -1.02 -0.06 0.00 -1.56 0.00 0.00 34.95 32.34 1jyn s ARG 183 CO -0.08 -0.06 0.42 -0.51 -0.81 0.00 0.00 175.30 174.27 1jyn s LEU 184 N 0.89 4.25 -0.05 -0.88 1.43 0.47 0.25 118.68 125.02 1jyn s LEU 184 Ca -0.11 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1jyn s LEU 184 Cb -0.15 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1jyn s LEU 184 CO 0.01 0.03 -0.01 0.00 0.23 0.00 0.00 176.35 176.60 1jyn s ALA 185 N -1.68 0.59 -0.12 4.21 0.00 -0.57 -2.02 121.76 122.16 1jyn s ALA 185 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1jyn s ALA 185 Cb -0.12 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1jyn s ALA 185 CO 0.23 -0.23 -0.10 0.08 0.00 0.00 0.00 175.76 175.74 1jyn s VAL 186 N 1.42 1.23 -0.36 0.00 1.01 0.11 -0.90 120.40 122.92 1jyn s VAL 186 Ca -0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1jyn s VAL 186 Cb -0.13 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1jyn s VAL 186 CO -0.03 0.40 0.17 -0.32 0.00 0.00 0.00 175.10 175.33 1jyn s MET 187 N 1.56 2.73 -0.25 2.72 1.75 -0.03 -0.82 119.30 126.97 1jyn s MET 187 Ca 0.04 -1.13 -0.10 0.00 -1.25 0.00 0.00 55.69 53.24 1jyn s MET 187 Cb -0.13 -3.64 -0.05 0.00 2.84 0.00 0.00 34.83 33.86 1jyn s MET 187 CO -0.08 -0.70 0.15 0.08 -0.65 0.00 0.00 175.02 173.82 1jyn s VAL 188 N 1.49 5.15 -0.08 10.11 1.01 0.68 -1.57 120.40 137.18 1jyn s VAL 188 Ca 0.01 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 1jyn s VAL 188 Cb -0.19 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1jyn s VAL 188 CO 0.05 0.32 0.52 -0.76 0.00 0.00 0.00 175.10 175.23 1jyn s LEU 189 N 1.35 4.32 0.08 3.92 1.43 -0.32 -0.64 118.68 128.82 1jyn s LEU 189 Ca 0.07 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 53.94 1jyn s LEU 189 Cb -0.15 -2.77 -0.14 0.00 0.03 0.00 0.00 46.19 43.16 1jyn s LEU 189 CO 0.07 0.03 1.31 -0.09 0.23 0.00 0.00 176.35 177.89 1jyn h ARG 190 N 6.41 0.67 -6.22 1.70 2.43 -1.43 -1.32 114.38 116.61 1jyn h ARG 190 Ca -0.42 -0.48 -0.67 0.00 -0.81 0.00 0.00 59.98 57.59 1jyn h ARG 190 Cb 1.19 0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 30.66 1jyn h ARG 190 CO 0.74 1.10 -0.68 -1.58 -1.51 0.00 0.00 179.97 178.04 1jyn s TRP 191 N -3.91 2.96 0.37 2.20 0.52 -1.26 -3.83 118.94 115.99 1jyn s TRP 191 Ca -0.12 0.01 -0.11 0.00 0.02 0.00 0.00 56.10 55.91 1jyn s TRP 191 Cb 0.08 -1.65 0.04 0.00 -1.15 0.00 0.00 33.47 30.79 1jyn s TRP 191 CO 0.85 0.40 0.69 -1.13 0.02 0.00 0.00 176.95 177.78 1jyn n SER 192 N 1.60 -1.99 0.24 2.95 3.41 -1.26 -4.93 113.62 113.64 1jyn n SER 192 Ca -0.16 -2.61 0.16 0.00 -0.26 0.00 0.00 58.87 56.01 1jyn n SER 192 Cb 0.53 3.38 0.73 0.00 -0.26 0.00 0.00 64.21 68.59 1jyn n SER 192 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1jyn h ASP 193 N 1.91 0.00 0.29 4.04 3.04 -0.80 0.34 116.42 125.24 1jyn h ASP 193 Ca -0.31 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.45 1jyn h ASP 193 Cb 1.18 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1jyn h ASP 193 CO 0.40 0.00 -0.16 1.23 -2.04 0.00 0.00 179.24 178.67 1jyn h GLY 194 N 1.53 0.00 2.00 7.15 0.00 -1.89 -2.70 103.07 109.16 1jyn h GLY 194 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1jyn h GLY 194 CO 0.00 0.00 -0.08 1.76 0.00 0.00 0.00 176.54 178.22 1jyn h SER 195 N 0.00 0.00 0.72 0.19 0.02 -1.27 -0.89 113.55 112.31 1jyn h SER 195 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jyn h SER 195 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jyn h SER 195 CO 0.02 0.08 0.00 1.88 -1.14 0.00 0.00 176.83 177.67 1jyn h TYR 196 N 0.00 0.00 -0.54 3.45 0.05 -1.63 -1.29 116.97 117.01 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 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1jyn h TYR 196 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 1jyn n LEU 197 N -2.93 3.59 -2.55 3.88 4.77 -0.35 -4.42 117.00 118.99 1jyn n LEU 197 Ca -0.00 -1.79 -0.23 0.00 -0.03 0.00 0.00 56.01 53.96 1jyn n LEU 197 Cb 0.23 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1jyn n LEU 197 CO 0.24 0.85 0.12 -0.62 -1.33 0.00 0.00 177.39 176.64 1jyn n GLU 198 N 1.42 2.91 -0.99 3.23 1.02 -0.49 -1.19 120.64 126.56 1jyn n GLU 198 Ca 0.20 -4.25 -0.21 0.00 -0.02 0.00 0.00 57.16 52.88 1jyn n GLU 198 Cb 0.58 -2.03 0.09 0.00 -0.02 0.00 0.00 31.44 30.06 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 -0.37 5.30 -4.76 1.62 2.03 -0.31 -4.98 116.55 115.08 1jyn n ASP 199 Ca 0.32 -3.28 -0.33 0.00 0.52 0.00 0.00 54.79 52.02 1jyn n ASP 199 Cb 0.68 -0.88 0.06 0.00 -0.72 0.00 0.00 41.12 40.25 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 -2.56 2.66 -1.22 -0.67 1.11 -1.26 -4.58 119.66 113.14 1jyn s GLN 200 Ca 0.44 1.44 -0.21 0.00 0.01 0.00 0.00 55.36 57.04 1jyn s GLN 200 Cb 0.36 -1.93 -0.01 0.00 -1.01 0.00 0.00 33.01 30.41 1jyn s GLN 200 CO 0.04 -1.37 1.83 0.34 0.01 0.00 0.00 175.29 176.14 1jyn s ASP 201 N -2.54 5.87 0.35 5.90 2.15 -1.26 -4.83 116.67 122.32 1jyn s ASP 201 Ca 0.68 -1.97 -0.17 0.00 0.43 0.00 0.00 52.55 51.52 1jyn s ASP 201 Cb -0.22 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.86 1jyn s ASP 201 CO 0.43 -2.19 0.75 0.00 -0.17 0.00 0.00 175.17 173.99 1jyn s MET 202 N 5.46 2.07 0.42 4.34 0.23 -1.25 -5.01 119.30 125.55 1jyn s MET 202 Ca 0.61 -1.31 -0.26 0.00 -1.03 0.00 0.00 55.69 53.71 1jyn s MET 202 Cb 0.01 0.61 -0.09 0.00 -1.53 0.00 0.00 34.83 33.84 1jyn s MET 202 CO 0.10 -0.96 1.34 -1.58 -2.03 0.00 0.00 175.02 171.89 1jyn s TRP 203 N -2.88 2.69 -0.50 3.16 0.52 -1.26 -4.28 118.94 116.39 1jyn s TRP 203 Ca 0.15 1.36 -0.20 0.00 0.02 0.00 0.00 56.10 57.43 1jyn s TRP 203 Cb -0.05 -3.75 0.05 0.00 -1.15 0.00 0.00 33.47 28.57 1jyn s TRP 203 CO 0.10 -2.37 0.66 1.03 0.02 0.00 0.00 176.95 176.39 1jyn s ARG 204 N -2.32 3.17 0.00 4.98 1.81 0.15 -4.94 118.95 121.81 1jyn s ARG 204 Ca 0.58 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 1jyn s ARG 204 Cb -0.40 -4.07 0.00 0.00 -0.45 0.00 0.00 34.95 30.03 1jyn s ARG 204 CO 0.51 -1.22 0.00 -1.33 -0.68 0.00 0.00 175.30 172.58 1jyn n MET 205 N 6.33 2.73 -3.61 3.54 2.81 -1.26 -2.87 117.12 124.79 1jyn n MET 205 Ca -0.05 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.78 1jyn n MET 205 Cb 0.46 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.95 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 -0.11 -0.29 0.00 7.83 1.04 -1.26 -4.83 113.70 116.08 1jyn s SER 206 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1jyn s SER 206 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1jyn s SER 206 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1jyn n GLY 207 N -0.36 0.77 3.41 7.32 0.00 -0.36 -2.17 105.19 113.81 1jyn n GLY 207 Ca -0.08 -2.17 -0.45 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.92 4.98 -1.88 -0.61 1.01 -1.19 -1.46 121.20 121.14 1jyn s ILE 208 Ca 0.00 -1.81 0.17 0.00 0.00 0.00 0.00 60.65 59.01 1jyn s ILE 208 Cb 0.00 -4.68 0.28 0.00 0.01 0.00 0.00 42.46 38.07 1jyn s ILE 208 CO 0.00 -1.36 1.20 2.22 0.00 0.00 0.00 174.94 177.00 1jyn n PHE 209 N 5.81 0.30 -4.57 3.97 -1.74 -0.65 -1.02 117.46 119.56 1jyn n PHE 209 Ca 0.20 -0.21 -0.27 0.00 -0.56 0.00 0.00 57.45 56.62 1jyn n PHE 209 Cb 0.48 -0.01 -0.09 0.00 1.52 0.00 0.00 39.48 41.38 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 -1.26 1.92 0.70 3.97 0.52 -1.11 -4.34 118.95 119.34 1jyn s ARG 210 Ca 0.27 -2.14 -0.16 0.00 -0.52 0.00 0.00 55.73 53.18 1jyn s ARG 210 Cb 0.16 -1.10 0.01 0.00 0.52 0.00 0.00 34.95 34.55 1jyn s ARG 210 CO 0.23 -0.28 1.17 -0.25 0.02 0.00 0.00 175.30 176.18 1jyn n ASP 211 N -1.05 1.33 -4.26 0.23 8.00 -1.26 -4.48 116.55 115.06 1jyn n ASP 211 Ca -0.08 0.73 -0.32 0.00 0.71 0.00 0.00 54.79 55.83 1jyn n ASP 211 Cb 0.66 -1.50 -0.17 0.00 -0.02 0.00 0.00 41.12 40.10 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 -1.68 2.10 0.15 2.53 1.01 -1.26 -1.08 120.40 122.17 1jyn s VAL 212 Ca 0.78 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1jyn s VAL 212 Cb -0.35 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1jyn s VAL 212 CO 0.46 0.57 0.23 -0.94 0.00 0.00 0.00 175.10 175.41 1jyn s SER 213 N -0.01 0.11 -0.10 3.32 1.04 -0.28 -0.52 113.70 117.25 1jyn s SER 213 Ca -0.08 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.45 1jyn s SER 213 Cb -0.15 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 1jyn s SER 213 CO 0.05 -0.85 -0.23 -0.22 0.98 0.00 0.00 173.24 172.98 1jyn s LEU 214 N -2.98 2.15 -0.11 2.42 2.96 0.22 0.29 118.68 123.64 1jyn s LEU 214 Ca 0.18 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1jyn s LEU 214 Cb 0.04 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.31 1jyn s LEU 214 CO -0.00 0.16 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.77 1jyn s LEU 215 N 0.36 1.95 -0.21 -0.68 2.96 0.16 -0.71 118.68 122.51 1jyn s LEU 215 Ca -0.18 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.10 1jyn s LEU 215 Cb -0.18 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 1jyn s LEU 215 CO 0.08 0.09 0.29 -2.28 -1.32 0.00 0.00 176.35 173.21 1jyn s HIS 216 N 0.65 3.37 0.16 5.38 5.65 -0.11 -1.38 115.29 129.02 1jyn s HIS 216 Ca -0.13 0.47 0.09 0.00 0.25 0.00 0.00 55.06 55.75 1jyn s HIS 216 Cb -0.16 -2.39 -0.04 0.00 -1.18 0.00 0.00 32.58 28.81 1jyn s HIS 216 CO 0.03 0.08 -0.21 0.15 -0.65 0.00 0.00 174.74 174.14 1jyn s LYS 217 N 1.02 1.33 0.79 2.88 -0.14 0.26 -4.75 119.74 121.13 1jyn s LYS 217 Ca 0.14 -1.40 -0.11 0.00 -1.36 0.00 0.00 55.97 53.25 1jyn s LYS 217 Cb -0.14 -1.52 0.07 0.00 -1.68 0.00 0.00 37.83 34.56 1jyn s LYS 217 CO 0.05 0.33 1.09 -2.14 -0.76 0.00 0.00 175.35 173.92 1jyn s PRO 218 N -2.57 2.14 0.23 -1.68 0.02 -1.26 0.33 135.00 132.22 1jyn s PRO 218 Ca 0.15 0.98 -0.07 0.00 0.02 0.00 0.00 61.00 62.08 1jyn s PRO 218 Cb -0.07 -1.90 0.26 0.00 0.02 0.00 0.00 34.50 32.81 1jyn s PRO 218 CO 0.07 -1.67 1.87 1.15 -0.33 0.00 0.00 177.00 178.10 1jyn h THR 219 N -1.14 1.13 -3.60 0.99 2.02 -1.93 -3.37 112.91 107.02 1jyn h THR 219 Ca -0.45 -0.36 -0.69 0.00 0.77 0.00 0.00 66.41 65.68 1jyn h THR 219 Cb 1.24 -0.01 -0.19 0.00 -1.74 0.00 0.00 68.15 67.45 1jyn h THR 219 CO 0.54 0.19 -0.34 -0.89 0.37 0.00 0.00 175.52 175.39 1jyn s THR 220 N -6.10 5.20 0.22 3.16 2.01 -1.26 -4.08 115.64 114.79 1jyn s THR 220 Ca -0.13 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 1jyn s THR 220 Cb 0.17 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1jyn s THR 220 CO 0.79 -0.22 0.37 0.00 -0.69 0.00 0.00 174.62 174.87 1jyn s GLN 221 N 1.90 1.41 -0.27 4.92 -2.07 -0.69 -4.87 119.66 120.00 1jyn s GLN 221 Ca 0.09 -1.32 -0.25 0.00 -1.82 0.00 0.00 55.36 52.06 1jyn s GLN 221 Cb -0.18 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1jyn s GLN 221 CO 0.11 -0.55 0.88 0.42 -1.32 0.00 0.00 175.29 174.83 1jyn s ILE 222 N -4.04 4.75 -0.58 3.63 1.01 -1.26 -1.71 121.20 123.00 1jyn s ILE 222 Ca 0.25 1.55 0.22 0.00 0.00 0.00 0.00 60.65 62.66 1jyn s ILE 222 Cb 0.02 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 38.04 1jyn s ILE 222 CO 0.08 -0.20 0.77 -1.54 0.00 0.00 0.00 174.94 174.06 1jyn n SER 223 N 6.23 0.57 -3.57 3.58 3.41 -0.35 -4.93 113.62 118.58 1jyn n SER 223 Ca 0.07 -0.50 -0.07 0.00 -0.26 0.00 0.00 58.87 58.11 1jyn n SER 223 Cb 0.47 1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 65.72 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 -3.70 -0.24 -0.15 4.04 -1.08 -1.20 -4.86 116.67 109.47 1jyn s ASP 224 Ca 0.02 0.07 -0.20 0.00 -0.52 0.00 0.00 52.55 51.91 1jyn s ASP 224 Cb 0.15 0.24 0.05 0.00 -1.46 0.00 0.00 42.92 41.90 1jyn s ASP 224 CO 0.87 -0.36 0.54 0.72 0.52 0.00 0.00 175.17 177.46 1jyn s PHE 225 N -2.31 -0.55 -0.06 -5.34 -0.71 -1.26 -1.45 117.98 106.29 1jyn s PHE 225 Ca 0.06 1.25 0.03 0.00 -1.04 0.00 0.00 56.93 57.22 1jyn s PHE 225 Cb -0.01 0.22 0.01 0.00 -1.21 0.00 0.00 43.02 42.04 1jyn s PHE 225 CO -0.05 -0.36 -0.12 -1.01 -1.34 0.00 0.00 175.22 172.34 1jyn s HIS 226 N -0.18 1.41 -0.16 3.49 3.76 -0.21 -4.80 115.29 118.60 1jyn s HIS 226 Ca -0.04 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 1jyn s HIS 226 Cb -0.03 -1.02 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 1jyn s HIS 226 CO 0.03 -0.24 -0.08 0.08 -0.85 0.00 0.00 174.74 173.68 1jyn s VAL 227 N 0.53 3.35 0.09 -0.90 1.01 -1.26 -1.13 120.40 122.08 1jyn s VAL 227 Ca -0.12 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1jyn s VAL 227 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1jyn s VAL 227 CO 0.03 0.49 -0.23 0.00 0.00 0.00 0.00 175.10 175.39 1jyn s ALA 228 N 0.63 2.03 -0.10 5.51 0.00 -0.43 -4.83 121.76 124.57 1jyn s ALA 228 Ca -0.05 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 1jyn s ALA 228 Cb -0.15 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1jyn s ALA 228 CO 0.03 0.45 -0.06 0.95 0.00 0.00 0.00 175.76 177.12 1jyn s THR 229 N -1.00 0.91 0.15 0.00 -4.23 -1.26 -0.56 115.64 109.65 1jyn s THR 229 Ca 0.10 -0.22 0.11 0.00 -1.18 0.00 0.00 61.69 60.50 1jyn s THR 229 Cb -0.10 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1jyn s THR 229 CO 0.04 0.35 -0.25 -0.13 -0.54 0.00 0.00 174.62 174.08 1jyn s ARG 230 N 1.70 1.43 0.25 3.99 0.52 -0.70 -4.80 118.95 121.34 1jyn s ARG 230 Ca 0.04 -1.41 0.07 0.00 -0.52 0.00 0.00 55.73 53.91 1jyn s ARG 230 Cb -0.13 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 1jyn s ARG 230 CO -0.07 0.42 -0.08 -0.06 0.02 0.00 0.00 175.30 175.53 1jyn s PHE 231 N -1.31 1.81 0.87 -0.53 0.40 -1.26 -0.68 117.98 117.28 1jyn s PHE 231 Ca 0.16 -0.68 -0.10 0.00 -0.60 0.00 0.00 56.93 55.70 1jyn s PHE 231 Cb -0.09 -0.97 0.17 0.00 0.51 0.00 0.00 43.02 42.64 1jyn s PHE 231 CO 0.07 0.26 1.20 0.54 0.70 0.00 0.00 175.22 178.00 1jyn s ASN 232 N -3.38 3.59 0.54 1.36 4.22 -0.57 -4.91 114.94 115.79 1jyn s ASN 232 Ca 0.27 0.05 0.23 0.00 -2.14 0.00 0.00 52.86 51.27 1jyn s ASN 232 Cb 0.02 -0.22 1.43 0.00 1.28 0.00 0.00 41.25 43.76 1jyn s ASN 232 CO 0.10 -2.40 2.07 -2.24 -2.04 0.00 0.00 177.10 172.58 1jyn h ASP 233 N -1.23 0.00 -0.16 3.54 3.04 -2.02 -1.64 116.42 117.96 1jyn h ASP 233 Ca -0.42 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.34 1jyn h ASP 233 Cb 1.25 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.52 1jyn h ASP 233 CO 0.39 0.00 -0.07 -0.90 -2.04 0.00 0.00 179.24 176.63 1jyn n ASP 234 N -4.28 2.85 -0.36 4.15 5.68 -1.26 -4.93 116.55 118.40 1jyn n ASP 234 Ca 0.04 -3.29 -0.05 0.00 -0.50 0.00 0.00 54.79 50.99 1jyn n ASP 234 Cb 0.37 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 39.81 1jyn n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1jyn n PHE 235 N -1.01 0.00 0.73 2.11 3.01 -0.62 -4.82 117.46 116.86 1jyn n PHE 235 Ca 0.22 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.81 1jyn n PHE 235 Cb 0.81 -2.04 0.41 0.00 -0.01 0.00 0.00 39.48 38.66 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 -0.84 0.58 -3.95 4.37 3.41 -1.26 -4.52 113.62 111.41 1jyn n SER 236 Ca -0.05 0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 58.91 1jyn n SER 236 Cb 0.46 -0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 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 -3.08 0.31 0.15 4.33 0.52 -1.26 0.16 118.95 120.08 1jyn s ARG 237 Ca 0.11 -0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 54.78 1jyn s ARG 237 Cb 0.14 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 1jyn s ARG 237 CO 0.61 -0.06 0.14 0.00 0.02 0.00 0.00 175.30 176.01 1jyn s ALA 238 N -1.29 0.64 -0.07 2.13 0.00 -0.61 -1.52 121.76 121.04 1jyn s ALA 238 Ca -0.14 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1jyn s ALA 238 Cb -0.09 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1jyn s ALA 238 CO -0.00 -0.56 -0.10 0.08 0.00 0.00 0.00 175.76 175.18 1jyn s VAL 239 N -4.04 1.02 -0.23 0.00 1.01 0.14 -1.10 120.40 117.20 1jyn s VAL 239 Ca 0.24 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1jyn s VAL 239 Cb 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1jyn s VAL 239 CO 0.03 0.34 0.25 -0.22 0.00 0.00 0.00 175.10 175.49 1jyn s LEU 240 N 0.90 4.13 -0.16 3.92 0.20 0.52 -1.71 118.68 126.47 1jyn s LEU 240 Ca -0.10 0.25 -0.00 0.00 0.69 0.00 0.00 54.13 54.96 1jyn s LEU 240 Cb -0.15 -2.25 -0.00 0.00 -0.43 0.00 0.00 46.19 43.36 1jyn s LEU 240 CO 0.01 0.01 -0.14 -1.61 -0.29 0.00 0.00 176.35 174.33 1jyn s GLU 241 N 1.17 3.24 -0.18 1.98 2.02 0.27 -0.60 118.70 126.61 1jyn s GLU 241 Ca 0.12 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1jyn s GLU 241 Cb -0.14 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.45 1jyn s GLU 241 CO 0.06 -0.00 -0.14 0.00 0.02 0.00 0.00 175.26 175.20 1jyn s ALA 242 N 0.87 2.05 -0.19 5.21 0.00 -0.08 -1.32 121.76 128.30 1jyn s ALA 242 Ca -0.04 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 1jyn s ALA 242 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1jyn s ALA 242 CO -0.01 -0.55 0.31 -2.00 0.00 0.00 0.00 175.76 173.51 1jyn s GLU 243 N 1.39 4.20 -0.06 0.00 2.12 -0.29 -1.20 118.70 124.86 1jyn s GLU 243 Ca 0.02 0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.49 1jyn s GLU 243 Cb -0.14 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 1jyn s GLU 243 CO -0.10 0.11 -0.24 0.08 -0.54 0.00 0.00 175.26 174.57 1jyn s VAL 244 N 0.86 2.01 0.07 3.70 1.01 0.12 -1.05 120.40 127.12 1jyn s VAL 244 Ca 0.16 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1jyn s VAL 244 Cb -0.14 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1jyn s VAL 244 CO 0.05 0.56 -0.18 -1.10 0.00 0.00 0.00 175.10 174.43 1jyn s GLN 245 N -0.12 1.94 0.30 2.72 -0.21 -0.53 -1.35 119.66 122.41 1jyn s GLN 245 Ca -0.05 -1.07 0.07 0.00 0.02 0.00 0.00 55.36 54.33 1jyn s GLN 245 Cb -0.14 -2.15 -0.06 0.00 1.00 0.00 0.00 33.01 31.66 1jyn s GLN 245 CO 0.04 0.51 -0.04 0.00 -2.12 0.00 0.00 175.29 173.68 1jyn s MET 246 N -1.75 1.62 0.12 2.91 0.23 -0.80 -1.21 119.30 120.43 1jyn s MET 246 Ca 0.16 -1.84 0.05 0.00 -1.03 0.00 0.00 55.69 53.03 1jyn s MET 246 Cb -0.11 -1.21 -0.04 0.00 -1.53 0.00 0.00 34.83 31.95 1jyn s MET 246 CO 0.07 0.01 -0.12 0.00 -2.03 0.00 0.00 175.02 172.96 1jyn n GLY 248 N 0.41 0.20 3.55 0.00 0.00 -1.26 -1.70 105.19 106.39 1jyn n GLY 248 Ca -0.15 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 2.89 -0.26 1.61 2.12 -1.26 -4.99 118.70 118.81 1jyn s GLU 249 Ca 0.00 -0.12 -0.26 0.00 0.36 0.00 0.00 54.97 54.95 1jyn s GLU 249 Cb 0.00 -4.70 0.00 0.00 0.26 0.00 0.00 34.13 29.69 1jyn s GLU 249 CO 0.00 -2.71 0.93 -1.17 -0.54 0.00 0.00 175.26 171.77 1jyn s LEU 250 N 7.98 4.07 0.02 2.70 0.20 -1.26 -4.96 118.68 127.43 1jyn s LEU 250 Ca 0.58 1.11 -0.12 0.00 0.69 0.00 0.00 54.13 56.38 1jyn s LEU 250 Cb -0.08 -3.34 0.01 0.00 -0.43 0.00 0.00 46.19 42.36 1jyn s LEU 250 CO 0.08 -0.63 0.25 -0.13 -0.29 0.00 0.00 176.35 175.64 1jyn s ARG 251 N 3.08 0.70 0.60 1.98 1.81 -1.26 -5.05 118.95 120.81 1jyn s ARG 251 Ca 0.39 -0.45 0.33 0.00 -1.72 0.00 0.00 55.73 54.29 1jyn s ARG 251 Cb -0.15 0.30 1.90 0.00 -0.45 0.00 0.00 34.95 36.55 1jyn s ARG 251 CO 0.09 -0.20 2.24 -0.44 -0.68 0.00 0.00 175.30 176.31 1jyn h ASP 252 N 3.59 0.00 0.77 0.23 3.32 -1.99 -1.76 116.42 120.58 1jyn h ASP 252 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1jyn h ASP 252 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1jyn h ASP 252 CO 0.44 0.02 -0.06 0.00 -1.72 0.00 0.00 179.24 177.92 1jyn n TYR 253 N -3.57 0.00 -2.41 4.55 0.18 -1.26 -4.88 117.16 109.77 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 0.12 -0.39 -0.02 0.00 -0.38 0.00 0.00 39.34 38.67 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 -2.84 3.75 0.14 -3.48 1.43 -0.66 0.07 118.68 117.10 1jyn s LEU 254 Ca 0.19 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 1jyn s LEU 254 Cb 0.19 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1jyn s LEU 254 CO 0.53 -0.89 0.30 -0.13 0.23 0.00 0.00 176.35 176.38 1jyn s ARG 255 N -3.45 1.08 0.01 1.70 1.81 -0.05 -3.85 118.95 116.20 1jyn s ARG 255 Ca 0.67 -1.02 0.05 0.00 -1.72 0.00 0.00 55.73 53.71 1jyn s ARG 255 Cb -0.17 0.39 -0.02 0.00 -0.45 0.00 0.00 34.95 34.71 1jyn s ARG 255 CO 0.24 -0.39 -0.16 0.08 -0.68 0.00 0.00 175.30 174.39 1jyn s VAL 256 N -3.90 1.27 -0.10 3.52 1.01 -0.55 -0.85 120.40 120.79 1jyn s VAL 256 Ca 0.11 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1jyn s VAL 256 Cb 0.03 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1jyn s VAL 256 CO -0.05 0.22 -0.15 -0.89 0.00 0.00 0.00 175.10 174.22 1jyn s THR 257 N -0.59 1.50 -0.13 3.92 2.01 -0.44 -1.53 115.64 120.38 1jyn s THR 257 Ca 0.05 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1jyn s THR 257 Cb -0.07 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1jyn s THR 257 CO 0.00 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 1jyn s VAL 258 N 0.92 3.33 0.06 3.82 1.01 0.24 -0.94 120.40 128.84 1jyn s VAL 258 Ca -0.08 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1jyn s VAL 258 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1jyn s VAL 258 CO -0.00 0.52 -0.20 -0.94 0.00 0.00 0.00 175.10 174.47 1jyn s SER 259 N 0.28 2.41 -0.09 3.32 1.04 -0.69 -1.36 113.70 118.61 1jyn s SER 259 Ca -0.07 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.82 1jyn s SER 259 Cb -0.15 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 1jyn s SER 259 CO 0.05 0.11 -0.23 -0.22 0.98 0.00 0.00 173.24 173.92 1jyn s LEU 260 N -1.44 2.16 0.00 2.42 2.96 0.17 -1.21 118.68 123.74 1jyn s LEU 260 Ca 0.06 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1jyn s LEU 260 Cb -0.09 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 1jyn s LEU 260 CO 0.03 0.19 -0.25 0.26 -1.32 0.00 0.00 176.35 175.26 1jyn s TRP 261 N 0.14 2.21 -0.35 5.38 0.52 -0.04 0.44 118.94 127.24 1jyn s TRP 261 Ca -0.12 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.57 1jyn s TRP 261 Cb -0.16 -1.39 0.09 0.00 -1.15 0.00 0.00 33.47 30.86 1jyn s TRP 261 CO 0.07 0.02 0.10 -1.14 0.02 0.00 0.00 176.95 176.01 1jyn s GLN 262 N -0.81 2.08 6.70 4.98 0.74 0.83 -0.59 119.66 133.59 1jyn s GLN 262 Ca 0.10 -1.62 0.00 0.00 0.05 0.00 0.00 55.36 53.89 1jyn s GLN 262 Cb -0.10 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1jyn s GLN 262 CO 0.00 -0.88 0.00 0.41 -0.55 0.00 0.00 175.29 174.28 1jyn n GLY 263 N 4.54 2.93 0.83 2.59 0.00 -1.26 -1.10 105.19 113.72 1jyn n GLY 263 Ca -0.05 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 13.75 2.07 -4.09 1.61 1.02 -1.26 -4.85 120.64 128.89 1jyn n GLU 264 Ca 0.00 -1.58 -0.35 0.00 -0.02 0.00 0.00 57.16 55.21 1jyn n GLU 264 Cb 0.00 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.44 4.75 -0.32 2.62 2.01 -0.26 -5.05 115.64 117.95 1jyn s THR 265 Ca 0.29 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 1jyn s THR 265 Cb 0.16 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1jyn s THR 265 CO 0.19 0.52 1.01 -1.58 -0.69 0.00 0.00 174.62 174.07 1jyn s GLN 266 N -0.13 4.03 -0.06 4.92 0.74 -1.26 -0.12 119.66 127.79 1jyn s GLN 266 Ca 0.07 0.94 0.21 0.00 0.05 0.00 0.00 55.36 56.63 1jyn s GLN 266 Cb -0.12 -3.74 -0.31 0.00 1.10 0.00 0.00 33.01 29.94 1jyn s GLN 266 CO 0.01 -0.85 0.41 1.33 -0.55 0.00 0.00 175.29 175.64 1jyn n VAL 267 N 5.80 0.33 -3.55 1.34 0.24 0.17 -4.94 118.33 117.71 1jyn n VAL 267 Ca 0.10 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.34 61.71 1jyn n VAL 267 Cb 0.47 -0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 1jyn n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jyn s ALA 268 N -3.29 -1.41 -0.15 2.33 0.00 -1.09 -4.99 121.76 113.17 1jyn s ALA 268 Ca -0.08 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1jyn s ALA 268 Cb 0.12 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.21 1jyn s ALA 268 CO 0.89 -0.82 0.89 0.45 0.00 0.00 0.00 175.76 177.17 1jyn s SER 269 N -2.80 -0.49 -0.05 0.00 0.15 -1.26 0.41 113.70 109.67 1jyn s SER 269 Ca 0.04 0.61 -0.11 0.00 0.70 0.00 0.00 55.95 57.19 1jyn s SER 269 Cb -0.02 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1jyn s SER 269 CO -0.08 -0.40 0.26 -0.83 1.20 0.00 0.00 173.24 173.39 1jyn s GLY 270 N -0.90 -0.13 -0.00 9.45 0.00 -0.46 -5.00 107.32 110.27 1jyn s GLY 270 Ca -0.04 0.40 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1jyn s GLY 270 CO 0.03 0.24 -0.14 -1.59 0.00 0.00 0.00 173.10 171.65 1jyn s THR 271 N -0.77 1.09 0.11 0.90 2.01 -1.26 -0.59 115.64 117.14 1jyn s THR 271 Ca -0.09 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 1jyn s THR 271 Cb -0.04 -0.92 0.04 0.00 0.01 0.00 0.00 72.50 71.59 1jyn s THR 271 CO 0.02 0.26 0.45 0.00 -0.69 0.00 0.00 174.62 174.66 1jyn s ALA 272 N -0.40 -1.09 0.79 7.40 0.00 -0.58 -4.99 121.76 122.89 1jyn s ALA 272 Ca 0.05 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1jyn s ALA 272 Cb -0.06 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.80 1jyn s ALA 272 CO -0.00 -0.63 1.14 -1.25 0.00 0.00 0.00 175.76 175.02 1jyn s PRO 273 N -3.52 1.98 0.59 0.00 0.04 -1.26 -1.48 135.00 131.34 1jyn s PRO 273 Ca 0.01 0.00 -0.14 0.00 0.04 0.00 0.00 61.00 60.91 1jyn s PRO 273 Cb 0.01 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1jyn s PRO 273 CO -0.10 -1.54 1.03 -0.06 0.04 0.00 0.00 177.00 176.37 1jyn s PHE 274 N -3.51 3.27 0.00 0.56 0.40 -1.25 -4.84 117.98 112.61 1jyn s PHE 274 Ca 0.62 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 58.39 1jyn s PHE 274 Cb -0.11 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1jyn s PHE 274 CO 0.48 -0.80 0.00 0.41 0.70 0.00 0.00 175.22 176.01 1jyn n GLY 275 N -1.64 2.29 3.90 4.36 0.00 0.30 -4.97 105.19 109.43 1jyn n GLY 275 Ca 0.07 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 1.66 0.95 -0.02 0.00 0.35 -4.84 107.32 105.43 1jyn s GLY 276 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 1jyn s GLY 276 CO 0.00 -0.25 0.75 -1.84 0.00 0.00 0.00 173.10 171.76 1jyn n GLU 277 N -3.55 -0.49 -2.03 2.90 0.00 -1.26 -4.51 120.64 111.71 1jyn n GLU 277 Ca 0.11 -0.09 -0.41 0.00 0.00 0.00 0.00 57.16 56.76 1jyn n GLU 277 Cb 0.60 -2.10 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 1jyn n GLU 277 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1jyn s ILE 278 N -2.50 2.67 -0.04 3.84 1.01 -1.26 -4.31 121.20 120.60 1jyn s ILE 278 Ca 0.62 0.58 0.05 0.00 0.00 0.00 0.00 60.65 61.90 1jyn s ILE 278 Cb -0.22 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1jyn s ILE 278 CO 0.63 0.10 0.03 2.30 0.00 0.00 0.00 174.94 178.00 1jyn n ILE 279 N 2.04 0.30 -3.28 2.92 -5.35 0.13 -4.90 119.36 111.22 1jyn n ILE 279 Ca 0.05 -0.20 -0.01 0.00 -0.27 0.00 0.00 62.75 62.33 1jyn n ILE 279 Cb 0.41 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 1jyn n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1jyn n ASP 280 N -2.12 -0.11 0.26 7.28 5.68 -0.64 -5.01 116.55 121.89 1jyn n ASP 280 Ca -0.07 -1.10 0.16 0.00 -0.50 0.00 0.00 54.79 53.28 1jyn n ASP 280 Cb 0.59 0.19 0.89 0.00 -1.14 0.00 0.00 41.12 41.65 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 -2.04 0.11 114.58 115.81 1jyn h GLU 281 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1jyn h GLU 281 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1jyn h GLU 281 CO 0.02 0.00 -0.04 0.54 -1.40 0.00 0.00 179.01 178.13 1jyn n ARG 282 N -3.79 1.70 0.00 2.33 5.12 -1.26 -5.05 116.66 115.70 1jyn n ARG 282 Ca -0.01 -1.11 0.00 0.00 -1.93 0.00 0.00 57.85 54.80 1jyn n ARG 282 Cb 0.19 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 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 1.24 0.36 0.89 -0.13 0.00 0.38 -5.06 105.19 102.86 1jyn n GLY 283 Ca 0.17 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 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 3.74 3.49 -0.02 0.00 -1.26 0.19 105.19 111.32 1jyn n GLY 284 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.33 2.80 -0.61 1.61 2.02 -1.26 -4.88 117.35 114.70 1jyn s TYR 285 Ca 0.10 -0.25 0.24 0.00 -0.37 0.00 0.00 57.07 56.79 1jyn s TYR 285 Cb 0.01 -4.04 0.92 0.00 -0.40 0.00 0.00 41.96 38.44 1jyn s TYR 285 CO 0.07 -1.38 1.73 0.00 -1.57 0.00 0.00 175.55 174.40 1jyn n ALA 286 N 7.31 1.90 -0.72 3.71 0.00 -1.26 -0.49 120.51 130.95 1jyn n ALA 286 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1jyn n ALA 286 Cb 0.47 -1.41 0.38 0.00 0.00 0.00 0.00 19.45 18.88 1jyn n ALA 286 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jyn n ASP 287 N -2.18 5.20 -4.22 0.00 5.75 -1.26 -3.40 116.55 116.44 1jyn n ASP 287 Ca 0.04 -2.67 -0.13 0.00 -0.01 0.00 0.00 54.79 52.02 1jyn n ASP 287 Cb 0.30 -0.63 -0.10 0.00 -1.03 0.00 0.00 41.12 39.66 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 -2.27 1.05 -0.09 0.11 0.52 -1.01 -1.90 118.95 115.36 1jyn s ARG 288 Ca 0.52 -1.50 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 1jyn s ARG 288 Cb 0.37 -0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.70 1jyn s ARG 288 CO 0.20 -0.14 0.44 0.54 0.02 0.00 0.00 175.30 176.36 1jyn s VAL 289 N -3.72 0.02 -0.18 3.52 0.11 -0.46 -0.54 120.40 119.16 1jyn s VAL 289 Ca 0.22 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1jyn s VAL 289 Cb 0.06 -0.69 0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1jyn s VAL 289 CO 0.03 -0.10 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.64 1jyn s THR 290 N -0.61 1.86 -0.09 5.04 2.01 -1.26 0.11 115.64 122.71 1jyn s THR 290 Ca -0.07 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 1jyn s THR 290 Cb -0.03 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1jyn s THR 290 CO 0.04 0.41 0.25 -0.76 -0.69 0.00 0.00 174.62 173.87 1jyn s LEU 291 N 1.35 4.39 -0.13 4.42 2.01 -0.34 -4.92 118.68 125.45 1jyn s LEU 291 Ca 0.03 0.63 0.02 0.00 0.01 0.00 0.00 54.13 54.82 1jyn s LEU 291 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 46.19 43.78 1jyn s LEU 291 CO -0.11 0.32 -0.17 -0.13 1.01 0.00 0.00 176.35 177.27 1jyn s ARG 292 N -0.76 2.55 -0.12 1.70 0.52 -1.26 -0.91 118.95 120.67 1jyn s ARG 292 Ca 0.18 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1jyn s ARG 292 Cb -0.14 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 1jyn s ARG 292 CO 0.07 -0.10 -0.18 -0.51 0.02 0.00 0.00 175.30 174.60 1jyn s LEU 293 N 1.08 2.42 0.00 2.53 1.02 0.23 -4.90 118.68 121.06 1jyn s LEU 293 Ca -0.03 -0.45 -0.20 0.00 0.02 0.00 0.00 54.13 53.48 1jyn s LEU 293 Cb -0.14 -1.52 -0.06 0.00 0.02 0.00 0.00 46.19 44.49 1jyn s LEU 293 CO -0.05 0.15 0.56 0.20 0.02 0.00 0.00 176.35 177.23 1jyn s ASN 294 N 0.44 6.95 -0.11 2.29 0.01 -1.26 -0.36 114.94 122.90 1jyn s ASN 294 Ca -0.13 1.13 -0.00 0.00 -0.71 0.00 0.00 52.86 53.15 1jyn s ASN 294 Cb -0.17 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1jyn s ASN 294 CO 0.06 0.15 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.03 1jyn s VAL 295 N -0.37 1.00 0.09 1.60 1.01 -0.26 -4.88 120.40 118.59 1jyn s VAL 295 Ca 0.29 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1jyn s VAL 295 Cb -0.18 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1jyn s VAL 295 CO 0.17 0.36 0.66 -1.61 0.00 0.00 0.00 175.10 174.68 1jyn s GLU 296 N 1.66 4.36 -1.41 2.72 0.41 -1.26 -1.57 118.70 123.61 1jyn s GLU 296 Ca 0.04 0.91 -0.03 0.00 -0.41 0.00 0.00 54.97 55.48 1jyn s GLU 296 Cb -0.13 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 1jyn s GLU 296 CO -0.07 0.56 0.36 0.09 -0.49 0.00 0.00 175.26 175.70 1jyn n ASN 297 N 1.88 -0.47 -4.66 -0.19 4.13 0.42 -4.87 115.26 111.50 1jyn n ASN 297 Ca -0.08 -1.07 -0.38 0.00 1.68 0.00 0.00 54.58 54.73 1jyn n ASN 297 Cb 0.50 -2.73 0.05 0.00 -1.54 0.00 0.00 39.78 36.06 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 -4.45 1.21 -2.72 3.52 -0.04 -1.26 -4.92 135.00 126.34 1jyn n PRO 298 Ca -0.30 0.46 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 1jyn n PRO 298 Cb 0.68 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 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 -2.76 3.98 0.40 0.54 1.02 -1.26 -5.00 119.74 116.67 1jyn s LYS 299 Ca 0.74 0.86 -0.17 0.00 0.02 0.00 0.00 55.97 57.42 1jyn s LYS 299 Cb -0.43 -3.76 -0.09 0.00 -0.52 0.00 0.00 37.83 33.02 1jyn s LYS 299 CO 0.48 -0.91 0.86 -0.51 -0.92 0.00 0.00 175.35 174.35 1jyn s LEU 300 N 3.57 3.92 0.07 3.17 1.43 -1.26 -4.48 118.68 125.10 1jyn s LEU 300 Ca 0.42 1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 1jyn s LEU 300 Cb -0.12 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 1jyn s LEU 300 CO 0.17 -0.35 0.44 0.86 0.23 0.00 0.00 176.35 177.69 1jyn s TRP 301 N -2.21 3.63 0.30 0.29 -0.00 -0.25 -3.97 118.94 116.74 1jyn s TRP 301 Ca 0.58 0.90 -0.16 0.00 -0.00 0.00 0.00 56.10 57.42 1jyn s TRP 301 Cb -0.10 -2.24 0.02 0.00 -0.00 0.00 0.00 33.47 31.15 1jyn s TRP 301 CO 0.20 0.53 0.66 -1.54 -0.00 0.00 0.00 176.95 176.79 1jyn s SER 302 N -1.58 -0.06 0.39 5.86 1.04 -0.56 -4.68 113.70 114.11 1jyn s SER 302 Ca 0.32 -0.89 0.19 0.00 0.48 0.00 0.00 55.95 56.05 1jyn s SER 302 Cb -0.15 0.72 0.77 0.00 0.10 0.00 0.00 66.02 67.45 1jyn s SER 302 CO 0.17 -1.37 1.78 0.00 0.98 0.00 0.00 173.24 174.80 1jyn h ALA 303 N 2.07 1.08 -0.32 5.32 0.00 -1.91 -2.53 119.26 122.98 1jyn h ALA 303 Ca -0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1jyn h ALA 303 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1jyn h ALA 303 CO 0.31 0.44 -0.10 0.93 0.00 0.00 0.00 179.25 180.84 1jyn h GLU 304 N 0.00 0.62 -2.64 0.00 5.08 -1.93 -3.40 114.58 112.31 1jyn h GLU 304 Ca -0.00 -0.25 -0.53 0.00 -1.00 0.00 0.00 59.36 57.58 1jyn h GLU 304 Cb 0.81 -0.03 -0.39 0.00 0.50 0.00 0.00 28.75 29.64 1jyn h GLU 304 CO 0.05 0.82 -0.80 0.42 -1.00 0.00 0.00 179.01 178.49 1jyn s ILE 305 N -4.73 -0.02 -1.29 3.13 1.01 -1.15 -5.00 121.20 113.15 1jyn s ILE 305 Ca -0.13 -1.13 -0.08 0.00 0.00 0.00 0.00 60.65 59.30 1jyn s ILE 305 Cb 0.09 -1.02 -0.09 0.00 0.01 0.00 0.00 42.46 41.45 1jyn s ILE 305 CO 0.79 -0.82 2.72 -0.81 0.00 0.00 0.00 174.94 176.82 1jyn n PRO 306 N 4.73 3.06 -1.73 2.79 -0.04 -0.96 -1.49 135.00 141.36 1jyn n PRO 306 Ca 0.02 -1.87 -0.42 0.00 -0.04 0.00 0.00 63.50 61.19 1jyn n PRO 306 Cb 0.40 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 1jyn n PRO 306 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jyn n ASN 307 N 3.70 3.83 -4.15 3.54 3.02 -1.25 -4.89 115.26 119.05 1jyn n ASN 307 Ca 0.65 1.11 -0.17 0.00 -0.03 0.00 0.00 54.58 56.14 1jyn n ASN 307 Cb 0.24 -1.57 -0.12 0.00 -0.61 0.00 0.00 39.78 37.72 1jyn n ASN 307 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jyn s LEU 308 N 0.35 2.28 0.44 3.41 1.43 -1.26 -4.16 118.68 121.17 1jyn s LEU 308 Ca 0.70 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1jyn s LEU 308 Cb -0.52 -0.41 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 1jyn s LEU 308 CO 0.41 -0.12 0.22 -0.31 0.23 0.00 0.00 176.35 176.78 1jyn s TYR 309 N -1.40 2.44 -0.13 0.29 1.51 -0.09 -4.71 117.35 115.25 1jyn s TYR 309 Ca -0.03 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1jyn s TYR 309 Cb -0.09 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1jyn s TYR 309 CO 0.02 0.06 -0.22 0.50 -1.11 0.00 0.00 175.55 174.80 1jyn s ARG 310 N -3.98 2.98 -0.18 -0.62 6.06 0.25 0.15 118.95 123.60 1jyn s ARG 310 Ca 0.39 -0.84 -0.07 0.00 -2.50 0.00 0.00 55.73 52.71 1jyn s ARG 310 Cb 0.02 -2.38 -0.04 0.00 0.06 0.00 0.00 34.95 32.61 1jyn s ARG 310 CO 0.22 0.01 0.05 0.00 -2.50 0.00 0.00 175.30 173.08 1jyn s ALA 311 N 0.75 3.32 -0.16 6.12 0.00 -0.41 -0.86 121.76 130.52 1jyn s ALA 311 Ca -0.09 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1jyn s ALA 311 Cb -0.16 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1jyn s ALA 311 CO -0.00 0.14 -0.05 0.08 0.00 0.00 0.00 175.76 175.92 1jyn s VAL 312 N 0.46 3.73 -0.41 0.00 1.01 -0.35 -1.91 120.40 122.94 1jyn s VAL 312 Ca 0.02 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1jyn s VAL 312 Cb -0.13 -2.63 0.09 0.00 0.00 0.00 0.00 36.38 33.71 1jyn s VAL 312 CO 0.01 0.49 0.22 -0.69 0.00 0.00 0.00 175.10 175.13 1jyn s VAL 313 N 0.47 3.78 -0.21 2.92 1.01 0.41 -1.70 120.40 127.08 1jyn s VAL 313 Ca -0.04 -1.63 -0.09 0.00 0.00 0.00 0.00 61.98 60.21 1jyn s VAL 313 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1jyn s VAL 313 CO 0.03 -0.54 0.12 -1.61 0.00 0.00 0.00 175.10 173.10 1jyn s GLU 314 N 1.31 4.08 -0.25 2.72 2.02 -0.12 -0.89 118.70 127.57 1jyn s GLU 314 Ca 0.04 -0.28 -0.10 0.00 0.02 0.00 0.00 54.97 54.65 1jyn s GLU 314 Cb -0.23 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.55 1jyn s GLU 314 CO -0.01 0.20 0.15 -1.17 0.02 0.00 0.00 175.26 174.45 1jyn s LEU 315 N 0.63 3.95 0.27 1.80 2.96 -0.12 -1.32 118.68 126.84 1jyn s LEU 315 Ca 0.07 0.02 -0.19 0.00 -0.22 0.00 0.00 54.13 53.81 1jyn s LEU 315 Cb -0.12 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1jyn s LEU 315 CO 0.01 0.02 0.65 -1.38 -1.32 0.00 0.00 176.35 174.33 1jyn s HIS 316 N 1.31 -0.02 0.48 5.38 -3.43 -0.03 -0.48 115.29 118.49 1jyn s HIS 316 Ca 0.07 -0.41 -0.14 0.00 -0.80 0.00 0.00 55.06 53.78 1jyn s HIS 316 Cb -0.14 0.55 -0.07 0.00 -1.43 0.00 0.00 32.58 31.49 1jyn s HIS 316 CO 0.06 -1.17 0.90 0.95 -2.00 0.00 0.00 174.74 173.49 1jyn s THR 317 N -3.95 4.65 0.40 -5.38 -4.23 -0.20 -0.88 115.64 106.06 1jyn s THR 317 Ca 0.14 0.95 0.09 0.00 -1.18 0.00 0.00 61.69 61.70 1jyn s THR 317 Cb -0.04 -3.73 0.30 0.00 1.34 0.00 0.00 72.50 70.36 1jyn s THR 317 CO 0.08 -0.64 2.00 0.00 -0.54 0.00 0.00 174.62 175.51 1jyn h ALA 318 N 0.99 1.82 0.00 3.99 0.00 -0.66 -1.31 119.26 124.08 1jyn h ALA 318 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1jyn h ALA 318 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1jyn h ALA 318 CO 0.62 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.71 1jyn n ASP 319 N -4.47 0.00 0.00 0.00 8.00 -1.26 -4.88 116.55 113.94 1jyn n ASP 319 Ca 0.08 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1jyn n ASP 319 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1jyn n ASP 319 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jyn n GLY 320 N 0.53 1.07 3.61 0.44 0.00 -0.50 -5.10 105.19 105.26 1jyn n GLY 320 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 4.93 0.04 2.61 2.01 -1.24 -4.85 115.64 117.14 1jyn s THR 321 Ca 0.00 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 1jyn s THR 321 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1jyn s THR 321 CO 0.00 -0.08 1.16 -0.22 -0.69 0.00 0.00 174.62 174.79 1jyn s LEU 322 N 2.62 4.36 -0.13 4.42 2.96 -1.26 -1.03 118.68 130.62 1jyn s LEU 322 Ca 0.27 1.93 -0.08 0.00 -0.22 0.00 0.00 54.13 56.04 1jyn s LEU 322 Cb -0.15 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1jyn s LEU 322 CO 0.10 -0.44 0.02 0.40 -1.32 0.00 0.00 176.35 175.11 1jyn h ILE 323 N 4.61 0.24 -2.91 6.68 2.04 -1.14 -3.48 117.51 123.55 1jyn h ILE 323 Ca -0.41 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1jyn h ILE 323 Cb 1.21 0.49 -0.13 0.00 -0.74 0.00 0.00 36.82 37.66 1jyn h ILE 323 CO 0.81 0.08 0.22 -1.83 0.00 0.00 0.00 178.15 177.43 1jyn s GLU 324 N -1.93 1.25 -0.00 2.37 -1.05 -1.16 -4.84 118.70 113.33 1jyn s GLU 324 Ca -0.10 -0.42 0.06 0.00 -0.15 0.00 0.00 54.97 54.36 1jyn s GLU 324 Cb 0.01 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 34.26 1jyn s GLU 324 CO 0.19 -0.54 -0.18 0.00 0.95 0.00 0.00 175.26 175.69 1jyn s ALA 325 N -3.56 1.47 0.44 -0.84 0.00 0.49 -0.94 121.76 118.82 1jyn s ALA 325 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1jyn s ALA 325 Cb -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1jyn s ALA 325 CO -0.11 0.35 0.02 -1.21 0.00 0.00 0.00 175.76 174.80 1jyn s GLU 326 N -0.54 2.03 0.07 0.00 0.41 -0.07 -2.00 118.70 118.60 1jyn s GLU 326 Ca 0.06 -2.21 -0.27 0.00 -0.41 0.00 0.00 54.97 52.14 1jyn s GLU 326 Cb -0.07 -1.50 0.09 0.00 -1.78 0.00 0.00 34.13 30.87 1jyn s GLU 326 CO -0.00 -0.20 0.98 0.00 -0.49 0.00 0.00 175.26 175.55 1jyn s ALA 327 N -2.84 -1.78 0.15 5.21 0.00 -1.26 -0.44 121.76 120.79 1jyn s ALA 327 Ca 0.24 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 1jyn s ALA 327 Cb 0.06 0.51 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1jyn s ALA 327 CO 0.12 -0.91 0.54 0.00 0.00 0.00 0.00 175.76 175.51 1jyn s ASP 329 N -2.75 7.59 -0.06 0.00 1.01 -1.26 -1.29 116.67 119.90 1jyn s ASP 329 Ca 0.01 2.00 0.06 0.00 0.71 0.00 0.00 52.55 55.33 1jyn s ASP 329 Cb -0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1jyn s ASP 329 CO -0.12 0.11 -0.23 -0.69 0.21 0.00 0.00 175.17 174.44 1jyn s VAL 330 N -1.19 2.20 -0.19 -1.27 1.01 0.12 -4.71 120.40 116.38 1jyn s VAL 330 Ca 0.42 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1jyn s VAL 330 Cb -0.27 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1jyn s VAL 330 CO 0.33 0.57 -0.14 -0.83 0.00 0.00 0.00 175.10 175.04 1jyn s GLY 331 N -0.19 1.48 -0.48 4.51 0.00 -1.26 -0.91 107.32 110.46 1jyn s GLY 331 Ca -0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 44.72 43.24 1jyn s GLY 331 CO 0.03 0.29 1.29 -1.36 0.00 0.00 0.00 173.10 173.36 1jyn s PHE 332 N 1.28 2.54 -0.02 1.90 0.40 -1.26 -4.80 117.98 118.03 1jyn s PHE 332 Ca 0.04 0.62 -0.26 0.00 -0.60 0.00 0.00 56.93 56.73 1jyn s PHE 332 Cb -0.14 -4.40 0.06 0.00 0.51 0.00 0.00 43.02 39.05 1jyn s PHE 332 CO -0.07 -1.69 0.58 -0.98 0.70 0.00 0.00 175.22 173.75 1jyn s ARG 333 N 4.88 0.99 -0.07 0.44 3.03 -1.26 -1.09 118.95 125.87 1jyn s ARG 333 Ca 0.53 0.06 0.04 0.00 2.03 0.00 0.00 55.73 58.38 1jyn s ARG 333 Cb -0.10 0.46 -0.02 0.00 -1.03 0.00 0.00 34.95 34.26 1jyn s ARG 333 CO 0.30 -0.32 -0.17 -2.00 -1.13 0.00 0.00 175.30 171.98 1jyn s GLU 334 N -1.56 2.69 -0.14 3.89 2.12 -1.26 -4.86 118.70 119.58 1jyn s GLU 334 Ca -0.10 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.48 1jyn s GLU 334 Cb -0.01 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1jyn s GLU 334 CO 0.06 0.47 -0.17 0.08 -0.54 0.00 0.00 175.26 175.15 1jyn s VAL 335 N -0.34 2.50 0.05 3.70 1.01 -1.26 -0.73 120.40 125.33 1jyn s VAL 335 Ca 0.03 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1jyn s VAL 335 Cb -0.13 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1jyn s VAL 335 CO 0.02 0.53 0.47 0.00 0.00 0.00 0.00 175.10 176.12 1jyn s ARG 336 N 0.73 0.99 -0.18 2.72 1.70 -0.47 -4.64 118.95 119.80 1jyn s ARG 336 Ca -0.07 -0.33 -0.04 0.00 -0.47 0.00 0.00 55.73 54.82 1jyn s ARG 336 Cb -0.16 0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1jyn s ARG 336 CO 0.01 -0.35 -0.03 0.42 -1.08 0.00 0.00 175.30 174.27 1jyn s ILE 337 N -2.57 3.79 -0.04 4.99 1.01 -1.26 -0.35 121.20 126.77 1jyn s ILE 337 Ca -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1jyn s ILE 337 Cb -0.01 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.81 1jyn s ILE 337 CO -0.03 0.45 0.09 -0.70 0.00 0.00 0.00 174.94 174.75 1jyn s GLU 338 N 0.83 0.01 -1.64 2.79 2.12 0.13 -4.83 118.70 118.12 1jyn s GLU 338 Ca -0.00 0.30 -0.02 0.00 0.36 0.00 0.00 54.97 55.61 1jyn s GLU 338 Cb -0.14 -0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.01 1jyn s GLU 338 CO 0.02 -0.19 0.21 -1.71 -0.54 0.00 0.00 175.26 173.05 1jyn n ASN 339 N 4.34 -5.81 0.00 -1.70 5.15 -1.26 -1.91 115.26 114.06 1jyn n ASN 339 Ca -0.24 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1jyn n ASN 339 Cb 0.51 -4.76 0.00 0.00 -0.53 0.00 0.00 39.78 35.00 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 -1.19 0.79 3.29 8.20 0.00 -1.25 -5.04 105.19 109.99 1jyn n GLY 340 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 2.15 -0.20 0.99 1.43 -0.80 -2.27 118.68 119.98 1jyn s LEU 341 Ca 0.00 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.34 1jyn s LEU 341 Cb 0.00 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1jyn s LEU 341 CO 0.00 0.21 0.69 -0.22 0.23 0.00 0.00 176.35 177.27 1jyn s LEU 342 N -1.14 4.13 0.01 1.79 2.96 -1.26 -0.70 118.68 124.47 1jyn s LEU 342 Ca 0.09 0.91 0.05 0.00 -0.22 0.00 0.00 54.13 54.97 1jyn s LEU 342 Cb -0.09 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1jyn s LEU 342 CO 0.02 -0.34 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.80 1jyn s LEU 343 N 2.15 2.76 -0.15 -0.68 1.43 0.52 -2.08 118.68 122.62 1jyn s LEU 343 Ca 0.31 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1jyn s LEU 343 Cb -0.16 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1jyn s LEU 343 CO 0.10 0.29 -0.21 -0.22 0.23 0.00 0.00 176.35 176.54 1jyn s LEU 344 N -1.22 2.10 -1.32 1.79 2.96 0.83 -1.37 118.68 122.46 1jyn s LEU 344 Ca 0.14 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 1jyn s LEU 344 Cb -0.11 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.17 1jyn s LEU 344 CO 0.04 0.05 0.40 0.59 -1.32 0.00 0.00 176.35 176.11 1jyn n ASN 345 N 4.28 -4.43 0.00 3.68 3.02 0.09 -1.46 115.26 120.44 1jyn n ASN 345 Ca -0.20 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1jyn n ASN 345 Cb 0.51 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 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 -1.18 0.92 3.46 7.41 0.00 -1.26 -5.02 105.19 109.52 1jyn n GLY 346 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.15 1.88 -0.01 1.61 -0.14 -0.53 -5.00 119.74 117.39 1jyn s LYS 347 Ca 0.00 -1.11 -0.30 0.00 -1.36 0.00 0.00 55.97 53.20 1jyn s LYS 347 Cb 0.00 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.98 1jyn s LYS 347 CO 0.00 0.50 1.22 -1.25 -0.76 0.00 0.00 175.35 175.06 1jyn s PRO 348 N -1.81 4.38 0.65 -1.68 0.04 -1.26 -0.12 135.00 135.20 1jyn s PRO 348 Ca 0.16 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1jyn s PRO 348 Cb -0.10 -3.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 1jyn s PRO 348 CO 0.07 -0.39 1.05 -0.51 0.04 0.00 0.00 177.00 177.27 1jyn s LEU 349 N 1.80 3.10 -0.24 -3.56 1.43 -0.88 -4.92 118.68 115.41 1jyn s LEU 349 Ca 0.58 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.96 1jyn s LEU 349 Cb -0.27 -4.23 0.07 0.00 0.03 0.00 0.00 46.19 41.79 1jyn s LEU 349 CO 0.25 -1.06 0.01 -0.22 0.23 0.00 0.00 176.35 175.56 1jyn s LEU 350 N -5.24 2.10 -0.45 1.79 2.96 -1.26 -4.80 118.68 113.78 1jyn s LEU 350 Ca 0.56 -1.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.02 1jyn s LEU 350 Cb -0.11 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.67 1jyn s LEU 350 CO 0.53 -0.30 1.16 -0.63 -1.32 0.00 0.00 176.35 175.79 1jyn s ILE 351 N 1.58 4.21 -1.09 6.68 -1.09 0.18 -4.94 121.20 126.73 1jyn s ILE 351 Ca -0.01 1.26 -0.07 0.00 -2.23 0.00 0.00 60.65 59.61 1jyn s ILE 351 Cb -0.18 -4.53 0.29 0.00 -1.58 0.00 0.00 42.46 36.46 1jyn s ILE 351 CO -0.10 -0.91 1.25 0.54 -1.23 0.00 0.00 174.94 174.50 1jyn n ARG 352 N 7.73 3.89 -3.43 2.79 1.74 -1.26 -1.65 116.66 126.47 1jyn n ARG 352 Ca 0.13 -4.50 -0.21 0.00 -0.77 0.00 0.00 57.85 52.50 1jyn n ARG 352 Cb 0.49 -2.53 -0.01 0.00 -1.02 0.00 0.00 32.46 29.39 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 -0.01 2.08 -0.05 -0.13 0.00 -0.06 -0.44 107.32 108.71 1jyn s GLY 353 Ca 0.31 -1.79 -0.15 0.00 0.00 0.00 0.00 44.72 43.09 1jyn s GLY 353 CO -0.01 -1.70 0.34 0.54 0.00 0.00 0.00 173.10 172.28 1jyn s VAL 354 N -2.53 0.04 0.05 1.40 0.11 -1.03 -0.96 120.40 117.48 1jyn s VAL 354 Ca 0.49 -0.32 -0.23 0.00 -2.93 0.00 0.00 61.98 58.99 1jyn s VAL 354 Cb -0.05 -0.60 -0.06 0.00 -1.53 0.00 0.00 36.38 34.15 1jyn s VAL 354 CO 0.29 -0.17 0.71 0.20 -3.33 0.00 0.00 175.10 172.80 1jyn s ASN 355 N -0.88 7.16 -0.07 3.54 0.01 -0.12 -1.56 114.94 123.01 1jyn s ASN 355 Ca -0.10 1.38 -0.00 0.00 -0.71 0.00 0.00 52.86 53.43 1jyn s ASN 355 Cb -0.04 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.21 1jyn s ASN 355 CO 0.03 0.08 -0.03 -0.60 -1.51 0.00 0.00 177.10 175.07 1jyn s ARG 356 N -0.29 0.90 0.54 -0.60 3.52 -0.86 -0.98 118.95 121.19 1jyn s ARG 356 Ca 0.36 -0.04 -0.06 0.00 -0.13 0.00 0.00 55.73 55.86 1jyn s ARG 356 Cb -0.20 -1.09 -0.02 0.00 -1.56 0.00 0.00 34.95 32.08 1jyn s ARG 356 CO 0.21 -0.23 0.85 -1.01 -0.81 0.00 0.00 175.30 174.31 1jyn s HIS 357 N 1.62 3.42 -0.51 5.12 3.76 -1.26 -3.87 115.29 123.56 1jyn s HIS 357 Ca 0.00 0.74 -0.18 0.00 -0.15 0.00 0.00 55.06 55.48 1jyn s HIS 357 Cb -0.13 -2.52 0.08 0.00 1.11 0.00 0.00 32.58 31.12 1jyn s HIS 357 CO -0.04 -0.55 0.55 -1.21 -0.85 0.00 0.00 174.74 172.64 1jyn s GLU 358 N -4.87 3.05 -0.07 1.40 2.02 -1.26 -4.94 118.70 114.03 1jyn s GLU 358 Ca 0.51 -1.20 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 1jyn s GLU 358 Cb -0.10 -4.16 0.03 0.00 0.10 0.00 0.00 34.13 29.99 1jyn s GLU 358 CO 0.45 -1.22 0.18 -1.58 0.02 0.00 0.00 175.26 173.11 1jyn s HIS 359 N 2.21 -0.21 -0.03 1.61 2.46 -1.26 -4.51 115.29 115.56 1jyn s HIS 359 Ca 0.10 0.53 0.01 0.00 0.47 0.00 0.00 55.06 56.17 1jyn s HIS 359 Cb -0.23 0.03 0.01 0.00 -0.13 0.00 0.00 32.58 32.26 1jyn s HIS 359 CO 0.08 -0.13 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.60 1jyn s HIS 360 N 0.55 0.56 0.26 3.88 5.04 0.46 -5.00 115.29 121.03 1jyn s HIS 360 Ca -0.04 -0.12 0.27 0.00 -1.54 0.00 0.00 55.06 53.64 1jyn s HIS 360 Cb -0.05 -0.48 1.24 0.00 0.04 0.00 0.00 32.58 33.33 1jyn s HIS 360 CO -0.03 -0.11 1.96 -1.00 -2.34 0.00 0.00 174.74 173.22 1jyn h PRO 361 N 6.78 0.00 0.00 2.88 0.13 -1.80 0.13 132.00 140.12 1jyn h PRO 361 Ca -0.36 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.41 1jyn h PRO 361 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 1jyn h PRO 361 CO 0.49 0.15 -2.36 1.28 -0.23 0.00 0.00 178.00 177.33 1jyn n LEU 362 N -3.43 2.98 -0.83 1.56 4.77 -1.26 -1.92 117.00 118.86 1jyn n LEU 362 Ca -0.01 -0.13 0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1jyn n LEU 362 Cb 0.33 -0.83 0.29 0.00 -2.33 0.00 0.00 43.42 40.88 1jyn n LEU 362 CO 0.31 0.90 0.74 1.41 -1.33 0.00 0.00 177.39 179.42 1jyn n HIS 363 N -3.20 0.31 0.00 -1.77 8.25 -1.22 -4.93 115.22 112.66 1jyn n HIS 363 Ca -0.42 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 1jyn n HIS 363 Cb 0.95 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 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 1.30 2.88 0.95 -1.41 0.00 0.47 -3.20 105.19 106.18 1jyn n GLY 364 Ca 0.17 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 11.94 2.92 -2.60 1.61 6.02 -1.26 -0.41 117.38 135.60 1jyn n GLN 365 Ca 0.00 -2.36 -0.42 0.00 -0.01 0.00 0.00 57.00 54.21 1jyn n GLN 365 Cb 0.00 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 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 -1.20 4.57 0.11 5.09 1.01 -1.19 -4.84 120.40 123.94 1jyn s VAL 366 Ca 0.34 1.85 0.04 0.00 0.00 0.00 0.00 61.98 64.22 1jyn s VAL 366 Cb 0.19 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1jyn s VAL 366 CO 0.21 0.08 0.07 -0.04 0.00 0.00 0.00 175.10 175.42 1jyn s MET 367 N 1.51 2.77 0.07 2.72 -1.94 -1.26 -4.70 119.30 118.47 1jyn s MET 367 Ca 0.53 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.74 1jyn s MET 367 Cb -0.23 -2.64 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 1jyn s MET 367 CO 0.24 0.54 -0.08 0.16 -0.01 0.00 0.00 175.02 175.87 1jyn s ASP 368 N -2.55 1.06 0.24 3.03 1.47 -1.26 -5.04 116.67 113.61 1jyn s ASP 368 Ca 0.29 -0.76 -0.05 0.00 1.18 0.00 0.00 52.55 53.20 1jyn s ASP 368 Cb -0.11 0.05 0.37 0.00 -0.34 0.00 0.00 42.92 42.89 1jyn s ASP 368 CO 0.21 -0.31 1.80 -0.08 0.68 0.00 0.00 175.17 177.47 1jyn h GLU 369 N 3.78 0.69 -0.06 2.11 4.81 -1.99 -2.05 114.58 121.87 1jyn h GLU 369 Ca -0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1jyn h GLU 369 Cb 1.19 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1jyn h GLU 369 CO 0.52 0.46 0.04 0.37 -0.73 0.00 0.00 179.01 179.66 1jyn h GLN 370 N 0.71 0.08 -0.64 1.92 4.15 -1.99 0.13 115.11 119.48 1jyn h GLN 370 Ca 0.38 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.72 1jyn h GLN 370 Cb 0.36 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1jyn h GLN 370 CO -0.25 0.07 0.12 1.15 -1.93 0.00 0.00 178.83 177.98 1jyn h THR 371 N 0.07 1.26 -0.44 2.39 2.02 -1.93 -0.85 112.91 115.44 1jyn h THR 371 Ca 0.02 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1jyn h THR 371 Cb 0.00 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1jyn h THR 371 CO -0.00 0.37 0.28 0.24 0.37 0.00 0.00 175.52 176.78 1jyn h MET 372 N 0.96 0.58 -0.82 6.66 2.86 -1.00 0.76 114.93 124.93 1jyn h MET 372 Ca 0.19 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1jyn h MET 372 Cb 0.41 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1jyn h MET 372 CO 0.01 0.40 0.54 0.28 1.06 0.00 0.00 176.91 179.20 1jyn h VAL 373 N 0.59 1.19 -0.50 -2.22 2.07 -0.46 0.11 116.25 117.02 1jyn h VAL 373 Ca 0.16 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1jyn h VAL 373 Cb -0.04 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 1jyn h VAL 373 CO -0.03 0.20 0.33 -0.61 0.02 0.00 0.00 177.57 177.48 1jyn h GLN 374 N 1.09 0.66 -0.37 1.57 4.15 -0.75 0.80 115.11 122.26 1jyn h GLN 374 Ca 0.31 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.63 1jyn h GLN 374 Cb -0.09 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1jyn h GLN 374 CO -0.08 0.44 0.00 -0.44 -1.93 0.00 0.00 178.83 176.82 1jyn h ASP 375 N 0.68 0.64 -0.55 -0.69 3.32 -0.27 -1.92 116.42 117.62 1jyn h ASP 375 Ca 0.18 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 1jyn h ASP 375 Cb -0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1jyn h ASP 375 CO -0.04 0.79 0.04 0.40 -1.72 0.00 0.00 179.24 178.71 1jyn h ILE 376 N 0.47 1.26 -0.12 0.35 2.04 -0.23 -0.54 117.51 120.74 1jyn h ILE 376 Ca 0.10 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1jyn h ILE 376 Cb 0.46 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1jyn h ILE 376 CO 0.02 0.39 0.07 -0.07 0.00 0.00 0.00 178.15 178.55 1jyn h LEU 377 N 0.91 0.11 -1.36 1.44 3.38 0.73 -1.31 115.31 119.22 1jyn h LEU 377 Ca 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1jyn h LEU 377 Cb 0.48 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1jyn h LEU 377 CO 0.02 0.08 0.04 -0.07 0.09 0.00 0.00 178.44 178.60 1jyn h LEU 378 N 0.14 0.43 -0.02 1.67 3.38 -1.17 0.30 115.31 120.04 1jyn h LEU 378 Ca 0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jyn h LEU 378 Cb -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jyn h LEU 378 CO -0.02 0.47 0.01 0.24 0.09 0.00 0.00 178.44 179.22 1jyn h MET 379 N 0.46 0.03 -0.57 1.13 2.86 -0.65 -1.24 114.93 116.94 1jyn h MET 379 Ca 0.10 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1jyn h MET 379 Cb 0.24 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1jyn h MET 379 CO 0.00 0.18 0.03 0.87 1.06 0.00 0.00 176.91 179.05 1jyn h LYS 380 N -0.13 0.97 0.00 1.72 1.57 -0.94 -1.21 116.57 118.56 1jyn h LYS 380 Ca 0.01 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1jyn h LYS 380 Cb 0.16 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1jyn h LYS 380 CO -0.00 0.94 0.00 1.96 -0.57 0.00 0.00 179.45 181.78 1jyn h GLN 381 N 0.90 0.00 -0.46 3.15 4.20 -0.13 -2.20 115.11 120.57 1jyn h GLN 381 Ca 0.17 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.73 1jyn h GLN 381 Cb 0.48 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.17 1jyn h GLN 381 CO 0.02 0.00 0.09 0.09 -0.67 0.00 0.00 178.83 178.36 1jyn n ASN 382 N -2.43 3.64 -1.29 1.46 3.02 -0.49 -4.95 115.26 114.22 1jyn n ASN 382 Ca 0.00 -3.37 -0.13 0.00 -0.03 0.00 0.00 54.58 51.06 1jyn n ASN 382 Cb 0.17 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.68 -4.25 -4.86 6.41 3.02 -0.83 -3.97 115.26 110.11 1jyn n ASN 383 Ca 0.33 0.12 -0.33 0.00 -0.03 0.00 0.00 54.58 54.66 1jyn n ASN 383 Cb 1.12 -3.23 -0.06 0.00 -0.61 0.00 0.00 39.78 37.01 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 -2.58 3.47 0.00 3.10 0.40 -0.58 -4.84 117.98 116.94 1jyn s PHE 384 Ca 0.00 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 1jyn s PHE 384 Cb 0.00 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1jyn s PHE 384 CO 0.00 0.26 0.66 0.27 0.70 0.00 0.00 175.22 177.11 1jyn n ASN 385 N 0.07 1.09 -3.65 1.36 0.23 0.41 -4.35 115.26 110.42 1jyn n ASN 385 Ca -0.00 -1.43 -0.13 0.00 -0.53 0.00 0.00 54.58 52.48 1jyn n ASN 385 Cb 0.52 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.43 -1.09 -0.07 -2.53 0.00 -1.03 -0.71 121.76 115.90 1jyn s ALA 386 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 1jyn s ALA 386 Cb 0.00 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1jyn s ALA 386 CO 0.00 -0.44 0.18 0.54 0.00 0.00 0.00 175.76 176.04 1jyn s VAL 387 N -2.25 -0.00 -0.11 0.00 0.11 0.09 -2.46 120.40 115.77 1jyn s VAL 387 Ca -0.07 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1jyn s VAL 387 Cb -0.01 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 1jyn s VAL 387 CO -0.01 0.00 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.14 1jyn s ARG 388 N 0.10 3.23 -1.44 1.54 3.52 -0.60 -1.25 118.95 124.05 1jyn s ARG 388 Ca -0.00 -0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 55.00 1jyn s ARG 388 Cb -0.01 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 1jyn s ARG 388 CO 0.00 0.51 2.43 0.00 -0.81 0.00 0.00 175.30 177.43 1jyn s SER 390 N 3.03 6.79 -0.42 0.00 1.04 -1.25 -0.69 113.70 122.21 1jyn s SER 390 Ca 0.54 2.02 0.10 0.00 0.48 0.00 0.00 55.95 59.09 1jyn s SER 390 Cb 0.15 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 64.05 1jyn s SER 390 CO -0.06 -0.84 0.70 1.41 0.98 0.00 0.00 173.24 175.43 1jyn n HIS 391 N 6.69 0.74 -3.60 5.02 -0.00 -1.26 -4.25 115.22 118.54 1jyn n HIS 391 Ca 0.15 -3.79 -0.03 0.00 -0.00 0.00 0.00 57.72 54.05 1jyn n HIS 391 Cb 0.44 -0.42 -0.02 0.00 -0.00 0.00 0.00 29.99 29.99 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 -2.23 -0.10 0.51 4.41 -0.85 0.14 -4.31 117.35 114.92 1jyn s TYR 392 Ca 0.40 0.05 -0.23 0.00 -0.52 0.00 0.00 57.07 56.77 1jyn s TYR 392 Cb 0.28 0.52 -0.06 0.00 0.38 0.00 0.00 41.96 43.08 1jyn s TYR 392 CO -0.09 -0.19 1.36 -2.14 -1.52 0.00 0.00 175.55 172.97 1jyn s PRO 393 N -2.36 3.34 0.59 -3.49 0.02 -0.62 -4.56 135.00 127.93 1jyn s PRO 393 Ca 0.10 2.25 0.05 0.00 0.02 0.00 0.00 61.00 63.42 1jyn s PRO 393 Cb -0.00 -2.38 0.08 0.00 0.02 0.00 0.00 34.50 32.22 1jyn s PRO 393 CO -0.04 -1.03 0.82 -0.80 -0.33 0.00 0.00 177.00 175.61 1jyn s ASN 394 N -0.86 4.97 0.34 2.53 0.02 -1.26 -4.85 114.94 115.84 1jyn s ASN 394 Ca 0.68 -0.51 -0.28 0.00 -1.02 0.00 0.00 52.86 51.73 1jyn s ASN 394 Cb -0.40 -0.12 -0.12 0.00 0.02 0.00 0.00 41.25 40.62 1jyn s ASN 394 CO 0.49 -1.39 1.35 1.57 0.02 0.00 0.00 177.10 179.15 1jyn n HIS 395 N -2.38 2.47 -0.35 2.20 -0.00 -1.26 -4.87 115.22 111.03 1jyn n HIS 395 Ca 0.13 0.51 0.13 0.00 -0.00 0.00 0.00 57.72 58.49 1jyn n HIS 395 Cb 0.61 -2.45 0.32 0.00 -0.00 0.00 0.00 29.99 28.46 1jyn n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1jyn h PRO 396 N 2.81 0.72 0.00 1.57 0.13 -1.96 -1.93 132.00 133.34 1jyn h PRO 396 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1jyn h PRO 396 Cb 1.27 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jyn h PRO 396 CO 0.64 0.48 -0.04 1.25 -0.23 0.00 0.00 178.00 180.10 1jyn h LEU 397 N 0.75 0.00 -0.62 1.56 5.85 -2.01 -2.85 115.31 117.99 1jyn h LEU 397 Ca 0.57 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.37 1jyn h LEU 397 Cb 0.89 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1jyn h LEU 397 CO -0.39 0.04 0.29 -0.25 -0.34 0.00 0.00 178.44 177.79 1jyn h TRP 398 N 0.00 0.52 -0.72 1.25 2.91 -1.70 -1.22 115.95 116.99 1jyn h TRP 398 Ca -0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1jyn h TRP 398 Cb 0.09 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 1jyn h TRP 398 CO 0.00 0.20 0.29 1.88 -1.03 0.00 0.00 178.44 179.78 1jyn h TYR 399 N 0.53 1.09 -0.50 2.65 -1.99 -1.67 0.17 116.97 117.25 1jyn h TYR 399 Ca 0.29 -0.08 0.02 0.00 2.00 0.00 0.00 58.73 60.96 1jyn h TYR 399 Cb 0.28 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.65 1jyn h TYR 399 CO -0.12 0.84 0.31 1.15 -0.00 0.00 0.00 178.16 180.33 1jyn h THR 400 N 1.03 1.06 -0.56 -2.88 2.02 -1.45 0.21 112.91 112.34 1jyn h THR 400 Ca 0.24 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 1jyn h THR 400 Cb 0.21 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1jyn h THR 400 CO -0.02 0.11 -0.08 -0.07 0.37 0.00 0.00 175.52 175.83 1jyn h LEU 401 N 0.61 1.05 -0.68 2.58 3.38 -0.67 -1.62 115.31 119.96 1jyn h LEU 401 Ca 0.20 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1jyn h LEU 401 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1jyn h LEU 401 CO -0.08 1.14 -0.63 0.00 0.09 0.00 0.00 178.44 178.96 1jyn h ASP 403 N 0.10 0.69 0.25 0.00 3.32 -0.35 0.13 116.42 120.57 1jyn h ASP 403 Ca -0.01 -0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.65 1jyn h ASP 403 Cb 1.12 -0.17 0.04 0.00 0.22 0.00 0.00 39.33 40.54 1jyn h ASP 403 CO 0.09 0.55 -1.42 0.03 -1.72 0.00 0.00 179.24 176.77 1jyn h ARG 404 N 0.77 0.55 0.00 3.56 3.08 -1.09 -3.34 114.38 117.92 1jyn h ARG 404 Ca 0.21 -0.89 -0.19 0.00 0.07 0.00 0.00 59.98 59.18 1jyn h ARG 404 Cb -0.01 0.32 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1jyn h ARG 404 CO -0.04 1.42 -1.06 1.88 -1.07 0.00 0.00 179.97 181.10 1jyn h TYR 405 N 0.18 0.00 -1.42 3.04 0.05 -1.21 -3.45 116.97 114.15 1jyn h TYR 405 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1jyn h TYR 405 Cb 2.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.85 1jyn h TYR 405 CO 0.12 0.80 0.00 0.41 -1.05 0.00 0.00 178.16 178.44 1jyn n GLY 406 N 1.36 -1.38 2.96 3.88 0.00 0.01 -4.81 105.19 107.22 1jyn n GLY 406 Ca -0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.03 1.49 0.26 0.99 1.43 -1.07 -4.66 118.68 117.11 1jyn s LEU 407 Ca 0.00 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 1jyn s LEU 407 Cb 0.00 0.32 -0.09 0.00 0.03 0.00 0.00 46.19 46.45 1jyn s LEU 407 CO 0.00 -0.05 0.93 -0.31 0.23 0.00 0.00 176.35 177.15 1jyn s TYR 408 N 0.23 3.89 -0.02 0.29 2.02 0.11 -4.73 117.35 119.14 1jyn s TYR 408 Ca -0.01 1.86 0.06 0.00 -0.37 0.00 0.00 57.07 58.61 1jyn s TYR 408 Cb -0.02 -2.95 -0.02 0.00 -0.40 0.00 0.00 41.96 38.57 1jyn s TYR 408 CO -0.01 0.38 -0.20 0.08 -1.57 0.00 0.00 175.55 174.23 1jyn s VAL 409 N -1.32 1.60 -0.30 0.71 1.01 0.11 -0.73 120.40 121.48 1jyn s VAL 409 Ca 0.44 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1jyn s VAL 409 Cb -0.23 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1jyn s VAL 409 CO 0.29 0.45 0.16 -0.69 0.00 0.00 0.00 175.10 175.31 1jyn s VAL 410 N -0.46 4.82 -0.20 2.92 1.01 -0.38 -1.03 120.40 127.07 1jyn s VAL 410 Ca 0.07 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1jyn s VAL 410 Cb -0.08 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1jyn s VAL 410 CO -0.01 0.15 0.32 -0.62 0.00 0.00 0.00 175.10 174.95 1jyn s ASP 411 N 1.67 6.37 -0.09 3.32 -1.08 -0.89 -1.69 116.67 124.27 1jyn s ASP 411 Ca 0.06 0.43 0.04 0.00 -0.52 0.00 0.00 52.55 52.56 1jyn s ASP 411 Cb -0.16 -2.19 -0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1jyn s ASP 411 CO 0.07 0.00 -0.23 -0.70 0.52 0.00 0.00 175.17 174.83 1jyn s GLU 412 N 1.01 2.92 0.51 4.34 2.12 -1.26 -0.31 118.70 128.03 1jyn s GLU 412 Ca 0.16 -0.86 -0.22 0.00 0.36 0.00 0.00 54.97 54.41 1jyn s GLU 412 Cb -0.14 -2.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 1jyn s GLU 412 CO 0.06 0.20 1.30 0.00 -0.54 0.00 0.00 175.26 176.27 1jyn s ALA 413 N 0.29 2.88 -1.35 6.30 0.00 -0.40 -1.59 121.76 127.89 1jyn s ALA 413 Ca -0.17 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1jyn s ALA 413 Cb -0.17 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1jyn s ALA 413 CO 0.08 -1.13 2.33 -1.71 0.00 0.00 0.00 175.76 175.32 1jyn n ASN 414 N -0.82 4.73 -3.75 0.00 5.15 -1.26 -3.97 115.26 115.33 1jyn n ASN 414 Ca 0.09 -2.73 -0.26 0.00 -0.60 0.00 0.00 54.58 51.08 1jyn n ASN 414 Cb 0.46 -1.52 -0.17 0.00 -0.53 0.00 0.00 39.78 38.02 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 3.28 0.47 -0.14 -1.44 1.01 -1.26 -4.77 121.20 118.36 1jyn s ILE 415 Ca 0.53 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.83 1jyn s ILE 415 Cb 0.15 -0.84 0.07 0.00 0.01 0.00 0.00 42.46 41.84 1jyn s ILE 415 CO -0.05 -0.02 0.30 -0.70 0.00 0.00 0.00 174.94 174.47 1jyn s GLU 416 N 1.90 0.20 -0.33 2.79 2.12 -0.33 -0.74 118.70 124.31 1jyn s GLU 416 Ca 0.01 0.78 0.11 0.00 0.36 0.00 0.00 54.97 56.24 1jyn s GLU 416 Cb -0.15 0.02 0.46 0.00 0.26 0.00 0.00 34.13 34.72 1jyn s GLU 416 CO -0.07 -0.26 1.12 0.25 -0.54 0.00 0.00 175.26 175.76 1jyn n THR 417 N 5.16 2.01 -0.30 -1.70 -2.24 -1.07 -1.16 114.28 114.97 1jyn n THR 417 Ca -0.10 -3.97 0.12 0.00 -2.27 0.00 0.00 64.05 57.83 1jyn n THR 417 Cb 0.50 -0.41 0.36 0.00 -2.10 0.00 0.00 70.33 68.68 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 2.49 0.90 0.00 4.78 6.17 -1.38 -1.71 115.15 126.40 1jyn h HIS 418 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.29 1jyn h HIS 418 Cb 1.27 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 30.92 1jyn h HIS 418 CO 0.72 0.29 0.00 0.41 0.71 0.00 0.00 177.93 180.06 1jyn n GLY 419 N -1.41 -0.78 3.83 5.26 0.00 -1.21 -4.79 105.19 106.09 1jyn n GLY 419 Ca 0.19 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.81 -0.14 1.61 -1.94 -0.64 -4.78 119.30 114.21 1jyn s MET 420 Ca 0.34 0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 55.14 1jyn s MET 420 Cb 0.16 -1.99 0.04 0.00 2.01 0.00 0.00 34.83 35.05 1jyn s MET 420 CO 0.27 -1.16 -0.04 0.08 -0.01 0.00 0.00 175.02 174.16 1jyn s VAL 421 N -3.11 0.92 1.03 -6.03 1.01 -1.26 -3.31 120.40 109.65 1jyn s VAL 421 Ca 0.58 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1jyn s VAL 421 Cb -0.14 -1.07 0.21 0.00 0.00 0.00 0.00 36.38 35.38 1jyn s VAL 421 CO 0.54 0.19 1.16 -2.16 0.00 0.00 0.00 175.10 174.83 1jyn s PRO 422 N 1.73 0.13 0.50 2.72 0.04 -1.26 -4.82 135.00 134.05 1jyn s PRO 422 Ca 0.03 0.06 0.26 0.00 0.04 0.00 0.00 61.00 61.38 1jyn s PRO 422 Cb -0.14 -1.74 1.34 0.00 0.04 0.00 0.00 34.50 34.00 1jyn s PRO 422 CO -0.07 -2.83 2.03 1.98 0.04 0.00 0.00 177.00 178.14 1jyn h MET 423 N -1.95 0.00 -0.70 4.56 4.05 -1.86 -2.24 114.93 116.78 1jyn h MET 423 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1jyn h MET 423 Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1jyn h MET 423 CO 0.47 0.14 0.00 0.27 0.23 0.00 0.00 176.91 178.03 1jyn n ASN 424 N -3.65 4.14 -0.35 1.39 6.94 -1.25 -3.78 115.26 118.70 1jyn n ASN 424 Ca -0.02 -2.60 0.07 0.00 -0.02 0.00 0.00 54.58 52.02 1jyn n ASN 424 Cb 0.27 -0.61 0.25 0.00 -2.36 0.00 0.00 39.78 37.32 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 2.74 0.96 0.17 -3.83 2.43 -1.72 -1.26 114.38 113.87 1jyn h ARG 425 Ca 0.00 -0.06 -0.35 0.00 -0.81 0.00 0.00 59.98 58.77 1jyn h ARG 425 Cb 1.46 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1jyn h ARG 425 CO 0.32 0.64 -1.74 -0.07 -1.51 0.00 0.00 179.97 177.60 1jyn h LEU 426 N 0.99 0.55 -1.09 3.80 3.38 -1.86 -3.35 115.31 117.73 1jyn h LEU 426 Ca 0.47 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1jyn h LEU 426 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jyn h LEU 426 CO -0.24 1.73 0.00 0.71 0.09 0.00 0.00 178.44 180.73 1jyn h THR 427 N 0.10 0.00 -0.02 0.22 1.35 -1.75 -1.22 112.91 111.58 1jyn h THR 427 Ca -0.34 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1jyn h THR 427 Cb 2.08 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1jyn h THR 427 CO 0.16 0.00 -0.02 -0.67 -0.25 0.00 0.00 175.52 174.75 1jyn n ASP 428 N -2.52 2.46 -4.57 5.36 2.03 -0.51 -1.69 116.55 117.12 1jyn n ASP 428 Ca 0.01 -1.81 -0.37 0.00 0.52 0.00 0.00 54.79 53.14 1jyn n ASP 428 Cb 0.23 0.01 -0.11 0.00 -0.72 0.00 0.00 41.12 40.53 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 -2.02 5.71 0.60 1.67 -1.08 -0.46 -4.55 116.67 116.54 1jyn s ASP 429 Ca 0.31 -0.03 0.40 0.00 -0.52 0.00 0.00 52.55 52.71 1jyn s ASP 429 Cb 0.20 -2.03 2.11 0.00 -1.46 0.00 0.00 42.92 41.74 1jyn s ASP 429 CO 0.32 0.01 2.22 1.55 0.52 0.00 0.00 175.17 179.80 1jyn h PRO 430 N 7.89 0.00 0.00 4.34 0.13 -1.90 -0.36 132.00 142.10 1jyn h PRO 430 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1jyn h PRO 430 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jyn h PRO 430 CO 0.60 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.91 1jyn n ARG 431 N -2.96 0.17 -0.12 0.86 5.12 -1.26 -1.40 116.66 117.07 1jyn n ARG 431 Ca -0.02 0.31 0.10 0.00 -1.93 0.00 0.00 57.85 56.31 1jyn n ARG 431 Cb 0.10 -1.78 0.15 0.00 -1.16 0.00 0.00 32.46 29.78 1jyn n ARG 431 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 1jyn n TRP 432 N -2.09 0.32 -0.19 -1.55 7.02 -0.15 -4.50 117.44 116.30 1jyn n TRP 432 Ca 0.04 -0.20 -0.08 0.00 -1.02 0.00 0.00 57.50 56.24 1jyn n TRP 432 Cb 0.28 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.18 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 3.68 0.79 -0.43 -0.99 5.85 -1.20 -2.04 115.31 120.96 1jyn h LEU 433 Ca 0.00 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1jyn h LEU 433 Cb 0.84 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1jyn h LEU 433 CO 0.00 0.79 0.26 -0.65 -0.34 0.00 0.00 178.44 178.50 1jyn h PRO 434 N 0.74 0.58 -0.54 5.25 0.11 -1.79 0.62 132.00 136.98 1jyn h PRO 434 Ca 0.17 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1jyn h PRO 434 Cb 0.29 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1jyn h PRO 434 CO -0.00 0.42 -0.02 0.00 -0.21 0.00 0.00 178.00 178.19 1jyn h ALA 435 N 1.12 0.72 -0.55 -0.75 0.00 -1.75 -2.35 119.26 115.71 1jyn h ALA 435 Ca 0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1jyn h ALA 435 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jyn h ALA 435 CO -0.03 0.57 0.11 0.52 0.00 0.00 0.00 179.25 180.42 1jyn h MET 436 N 0.84 0.89 -0.91 0.00 2.86 -1.01 -3.06 114.93 114.54 1jyn h MET 436 Ca 0.15 -0.23 0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1jyn h MET 436 Cb 0.57 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 1jyn h MET 436 CO 0.03 0.85 0.54 0.66 1.06 0.00 0.00 176.91 180.05 1jyn h SER 437 N 0.79 0.78 0.43 1.22 4.64 0.57 -0.49 113.55 121.49 1jyn h SER 437 Ca 0.17 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1jyn h SER 437 Cb 0.37 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1jyn h SER 437 CO 0.01 0.43 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.74 1jyn h GLU 438 N 0.88 0.00 -0.14 4.77 5.08 -1.33 0.29 114.58 124.13 1jyn h GLU 438 Ca 0.44 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.69 1jyn h GLU 438 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1jyn h GLU 438 CO -0.26 0.32 -0.42 0.00 -1.00 0.00 0.00 179.01 177.65 1jyn h ARG 439 N 0.00 0.31 0.00 2.33 3.08 -1.05 -2.21 114.38 116.84 1jyn h ARG 439 Ca -0.00 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 1jyn h ARG 439 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1jyn h ARG 439 CO 0.04 0.68 -0.26 0.28 -1.07 0.00 0.00 179.97 179.64 1jyn h VAL 440 N 0.26 1.09 -0.68 2.04 2.07 -0.96 -3.32 116.25 116.75 1jyn h VAL 440 Ca 0.02 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.59 1jyn h VAL 440 Cb 0.85 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1jyn h VAL 440 CO 0.07 0.37 0.23 0.71 0.02 0.00 0.00 177.57 178.97 1jyn h THR 441 N -1.00 1.25 0.00 2.57 1.35 -0.50 -1.99 112.91 114.59 1jyn h THR 441 Ca -0.06 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 64.91 1jyn h THR 441 Cb 0.79 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1jyn h THR 441 CO -0.04 0.33 -0.17 0.03 -0.25 0.00 0.00 175.52 175.42 1jyn h ARG 442 N 0.99 0.00 -0.03 4.72 3.08 -1.60 -0.36 114.38 121.18 1jyn h ARG 442 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1jyn h ARG 442 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1jyn h ARG 442 CO -0.01 0.17 -0.03 1.98 -1.07 0.00 0.00 179.97 181.01 1jyn h MET 443 N 0.00 0.07 -0.65 0.04 4.05 -1.53 -2.56 114.93 114.35 1jyn h MET 443 Ca -0.00 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1jyn h MET 443 Cb 0.56 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 1jyn h MET 443 CO 0.02 0.56 0.22 0.28 0.23 0.00 0.00 176.91 178.22 1jyn h VAL 444 N -0.42 1.24 0.00 -5.77 2.07 -1.01 -0.71 116.25 111.65 1jyn h VAL 444 Ca 0.00 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1jyn h VAL 444 Cb 0.55 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1jyn h VAL 444 CO 0.01 0.31 -0.08 1.56 0.02 0.00 0.00 177.57 179.39 1jyn h GLN 445 N 0.95 0.00 0.06 1.57 4.20 -1.06 -2.02 115.11 118.81 1jyn h GLN 445 Ca 0.21 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.61 1jyn h GLN 445 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1jyn h GLN 445 CO -0.01 0.08 -1.75 -0.09 -0.67 0.00 0.00 178.83 176.38 1jyn h ARG 446 N 0.00 0.14 -0.14 1.46 2.43 -0.96 -2.81 114.38 114.50 1jyn h ARG 446 Ca -0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1jyn h ARG 446 Cb 0.16 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1jyn h ARG 446 CO 0.01 0.87 0.00 -0.25 -1.51 0.00 0.00 179.97 179.09 1jyn n ASP 447 N -3.28 2.21 0.26 -3.80 8.00 -0.33 -4.32 116.55 115.29 1jyn n ASP 447 Ca -0.21 -1.67 0.18 0.00 0.71 0.00 0.00 54.79 53.80 1jyn n ASP 447 Cb 1.05 -0.09 0.92 0.00 -0.02 0.00 0.00 41.12 42.98 1jyn n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1jyn h ARG 448 N 1.66 0.00 -0.32 -1.24 0.11 -1.58 -2.14 114.38 110.87 1jyn h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jyn h ARG 448 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1jyn h ARG 448 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1jyn n ASN 449 N -2.74 2.85 -4.65 0.08 3.02 -1.26 -4.84 115.26 107.72 1jyn n ASN 449 Ca -0.02 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 1jyn n ASN 449 Cb 0.08 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.58 3.33 0.47 3.10 3.76 -0.81 -4.84 115.29 118.72 1jyn s HIS 450 Ca 0.36 1.17 0.12 0.00 -0.15 0.00 0.00 55.06 56.57 1jyn s HIS 450 Cb 0.21 -3.06 1.08 0.00 1.11 0.00 0.00 32.58 31.92 1jyn s HIS 450 CO 0.29 -0.38 2.10 -1.00 -0.85 0.00 0.00 174.74 174.90 1jyn h PRO 451 N 7.61 0.26 -0.32 8.40 0.13 -1.88 -2.46 132.00 143.74 1jyn h PRO 451 Ca -0.24 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1jyn h PRO 451 Cb 1.10 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1jyn h PRO 451 CO 0.87 0.17 0.16 0.66 -0.23 0.00 0.00 178.00 179.64 1jyn h SER 452 N 0.26 0.38 -2.77 1.44 4.64 -1.87 -3.40 113.55 112.24 1jyn h SER 452 Ca 0.09 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.82 1jyn h SER 452 Cb 0.02 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1jyn h SER 452 CO -0.02 0.32 1.03 -0.69 -0.87 0.00 0.00 176.83 176.61 1jyn s VAL 453 N -5.30 3.86 -0.06 0.95 1.01 -0.93 0.09 120.40 120.01 1jyn s VAL 453 Ca -0.07 1.02 0.03 0.00 0.00 0.00 0.00 61.98 62.95 1jyn s VAL 453 Cb 0.17 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1jyn s VAL 453 CO 0.73 -0.16 0.08 2.30 0.00 0.00 0.00 175.10 178.05 1jyn n ILE 454 N 5.71 0.00 -3.85 2.22 -5.35 -0.20 -4.88 119.36 113.00 1jyn n ILE 454 Ca 0.16 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1jyn n ILE 454 Cb 0.44 0.73 -0.14 0.00 -1.74 0.00 0.00 39.64 38.93 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 -1.70 -0.00 -0.03 7.28 1.01 -1.19 -4.04 121.20 122.53 1jyn s ILE 455 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 1jyn s ILE 455 Cb 0.02 -0.05 -0.04 0.00 0.01 0.00 0.00 42.46 42.39 1jyn s ILE 455 CO 0.11 0.01 0.16 0.26 0.00 0.00 0.00 174.94 175.47 1jyn s TRP 456 N 0.08 3.51 0.05 3.97 0.52 -0.50 -2.10 118.94 124.47 1jyn s TRP 456 Ca -0.01 0.36 0.08 0.00 0.02 0.00 0.00 56.10 56.56 1jyn s TRP 456 Cb -0.01 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1jyn s TRP 456 CO -0.00 0.64 -0.24 0.45 0.02 0.00 0.00 176.95 177.82 1jyn s SER 457 N -1.75 2.86 0.00 2.95 0.15 0.57 -0.64 113.70 117.84 1jyn s SER 457 Ca 0.24 -0.56 0.16 0.00 0.70 0.00 0.00 55.95 56.49 1jyn s SER 457 Cb -0.12 -0.25 0.84 0.00 -1.71 0.00 0.00 66.02 64.77 1jyn s SER 457 CO 0.15 0.21 1.55 0.18 1.20 0.00 0.00 173.24 176.54 1jyn n LEU 458 N 1.79 0.39 0.00 3.45 4.77 -1.06 -1.28 117.00 125.06 1jyn n LEU 458 Ca -0.17 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1jyn n LEU 458 Cb 0.53 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1jyn n LEU 458 CO 0.23 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1jyn n GLY 459 N 0.82 0.58 3.28 -0.72 0.00 -1.25 -4.62 105.19 103.28 1jyn n GLY 459 Ca 0.12 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.31 -0.84 1.61 2.47 0.08 -4.74 114.94 109.21 1jyn s ASN 460 Ca 0.00 0.39 -0.15 0.00 0.42 0.00 0.00 52.86 53.53 1jyn s ASN 460 Cb 0.00 0.51 0.02 0.00 -1.45 0.00 0.00 41.25 40.33 1jyn s ASN 460 CO 0.00 -0.36 0.53 -0.62 -3.72 0.00 0.00 177.10 172.93 1jyn n GLU 461 N 1.79 -0.81 -1.10 0.43 1.02 -1.26 -4.06 120.64 116.65 1jyn n GLU 461 Ca -0.18 0.28 0.04 0.00 -0.02 0.00 0.00 57.16 57.28 1jyn n GLU 461 Cb 0.56 -1.82 0.07 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.84 1.15 0.00 1.62 7.64 -1.26 -1.14 113.62 119.79 1jyn n SER 462 Ca -0.18 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1jyn n SER 462 Cb 0.52 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.06 0.96 2.81 0.23 0.00 -1.25 -3.92 105.19 103.97 1jyn n GLY 463 Ca 0.09 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 1.31 0.28 1.61 2.46 -1.26 -3.56 115.29 116.13 1jyn s HIS 464 Ca 0.00 -0.88 0.12 0.00 0.47 0.00 0.00 55.06 54.77 1jyn s HIS 464 Cb 0.00 -1.13 -0.05 0.00 -0.13 0.00 0.00 32.58 31.27 1jyn s HIS 464 CO 0.00 -0.57 -0.20 0.20 -2.47 0.00 0.00 174.74 171.70 1jyn s GLY 465 N 1.76 1.87 0.60 1.59 0.00 -1.26 -4.84 107.32 107.05 1jyn s GLY 465 Ca 0.00 -1.87 0.31 0.00 0.00 0.00 0.00 44.72 43.16 1jyn s GLY 465 CO -0.07 -1.96 2.19 0.00 0.00 0.00 0.00 173.10 173.25 1jyn h ALA 466 N 2.28 1.57 0.00 3.20 0.00 -1.79 0.22 119.26 124.73 1jyn h ALA 466 Ca -0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1jyn h ALA 466 Cb 1.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jyn h ALA 466 CO 0.60 -0.14 -0.14 -0.91 0.00 0.00 0.00 179.25 178.66 1jyn h ASN 467 N 0.00 0.00 -0.10 0.00 2.35 -1.63 -1.61 115.58 114.59 1jyn h ASN 467 Ca 0.04 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.61 1jyn h ASN 467 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1jyn h ASN 467 CO -0.00 0.14 -0.58 0.45 -1.65 0.00 0.00 177.43 175.79 1jyn h HIS 468 N 0.00 0.88 -0.59 1.19 3.86 -0.74 -1.98 115.15 117.77 1jyn h HIS 468 Ca -0.00 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 58.84 1jyn h HIS 468 Cb 0.24 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1jyn h HIS 468 CO 0.00 1.10 0.21 -0.44 0.86 0.00 0.00 177.93 179.66 1jyn h ASP 469 N 0.53 0.85 -0.69 2.45 3.32 -1.23 0.14 116.42 121.79 1jyn h ASP 469 Ca 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1jyn h ASP 469 Cb 1.15 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1jyn h ASP 469 CO 0.12 0.81 0.35 0.00 -1.72 0.00 0.00 179.24 178.80 1jyn h ALA 470 N 1.07 0.88 -0.09 3.45 0.00 -1.24 -2.37 119.26 120.96 1jyn h ALA 470 Ca 0.19 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1jyn h ALA 470 Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jyn h ALA 470 CO -0.01 0.43 -0.75 -0.07 0.00 0.00 0.00 179.25 178.85 1jyn h LEU 471 N 0.95 0.60 -0.38 0.00 3.38 -1.11 -1.21 115.31 117.54 1jyn h LEU 471 Ca 0.24 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1jyn h LEU 471 Cb 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1jyn h LEU 471 CO -0.03 1.15 0.13 0.22 0.09 0.00 0.00 178.44 180.00 1jyn h TYR 472 N 0.34 0.23 -0.39 1.13 3.20 -0.62 -1.68 116.97 119.17 1jyn h TYR 472 Ca -0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 1jyn h TYR 472 Cb 1.34 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1jyn h TYR 472 CO 0.06 0.09 -0.09 -0.09 -1.64 0.00 0.00 178.16 176.49 1jyn h ARG 473 N 0.29 0.68 -0.49 1.82 9.65 -1.24 -1.60 114.38 123.48 1jyn h ARG 473 Ca 0.18 -0.20 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1jyn h ARG 473 Cb 0.16 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1jyn h ARG 473 CO -0.18 0.76 0.20 2.35 2.80 0.00 0.00 179.97 185.90 1jyn h TRP 474 N 0.63 0.74 -0.39 2.20 7.01 -0.82 -0.73 115.95 124.58 1jyn h TRP 474 Ca 0.11 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 1jyn h TRP 474 Cb 0.52 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1jyn h TRP 474 CO 0.02 0.61 0.03 0.82 -2.79 0.00 0.00 178.44 177.14 1jyn h ILE 475 N 0.65 1.25 -0.64 2.65 2.04 -0.94 -0.30 117.51 122.22 1jyn h ILE 475 Ca 0.16 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1jyn h ILE 475 Cb 0.18 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1jyn h ILE 475 CO -0.02 0.32 0.43 0.11 0.00 0.00 0.00 178.15 178.99 1jyn h LYS 476 N 0.51 0.51 -0.08 2.37 1.79 -1.11 0.77 116.57 121.34 1jyn h LYS 476 Ca 0.12 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1jyn h LYS 476 Cb 0.42 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1jyn h LYS 476 CO 0.01 0.34 -0.28 0.77 -1.08 0.00 0.00 179.45 179.21 1jyn h SER 477 N 0.53 0.38 1.04 0.86 0.02 -0.57 -3.34 113.55 112.46 1jyn h SER 477 Ca 0.29 -0.63 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 1jyn h SER 477 Cb 0.45 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1jyn h SER 477 CO -0.09 0.94 -0.58 -0.37 -1.14 0.00 0.00 176.83 175.59 1jyn h VAL 478 N -0.16 1.13 -2.33 2.27 -1.51 -0.44 -3.41 116.25 111.81 1jyn h VAL 478 Ca -0.01 -2.22 -0.50 0.00 -1.23 0.00 0.00 66.70 62.74 1jyn h VAL 478 Cb 0.92 2.30 -0.36 0.00 -2.13 0.00 0.00 31.29 32.02 1jyn h VAL 478 CO 0.06 0.57 -0.80 -0.62 -1.23 0.00 0.00 177.57 175.55 1jyn s ASP 479 N -6.56 2.19 0.00 4.19 2.15 0.26 -4.95 116.67 113.95 1jyn s ASP 479 Ca 0.01 -2.03 0.24 0.00 0.43 0.00 0.00 52.55 51.20 1jyn s ASP 479 Cb 0.10 -0.03 1.41 0.00 -0.30 0.00 0.00 42.92 44.10 1jyn s ASP 479 CO 0.74 -0.28 1.79 -2.65 -0.17 0.00 0.00 175.17 174.60 1jyn n PRO 480 N 4.02 0.72 0.00 4.34 -0.02 -1.25 -3.44 135.00 139.37 1jyn n PRO 480 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1jyn n PRO 480 Cb 0.41 -1.50 0.63 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.02 0.07 -3.88 2.55 3.41 -1.26 -4.82 113.62 108.67 1jyn n SER 481 Ca 0.18 0.20 -0.12 0.00 -0.26 0.00 0.00 58.87 58.86 1jyn n SER 481 Cb 0.09 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.85 0.04 0.78 4.33 0.52 -1.22 -4.19 118.95 116.35 1jyn s ARG 482 Ca 0.19 -0.02 -0.13 0.00 -0.52 0.00 0.00 55.73 55.26 1jyn s ARG 482 Cb 0.19 -0.04 0.06 0.00 0.52 0.00 0.00 34.95 35.69 1jyn s ARG 482 CO 0.52 0.01 1.15 -2.14 0.02 0.00 0.00 175.30 174.86 1jyn s PRO 483 N -0.00 1.98 -0.07 3.54 0.02 -1.26 -4.76 135.00 134.46 1jyn s PRO 483 Ca 0.00 1.51 0.05 0.00 0.02 0.00 0.00 61.00 62.58 1jyn s PRO 483 Cb -0.00 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.66 1jyn s PRO 483 CO -0.00 -1.91 -0.22 0.08 -0.33 0.00 0.00 177.00 174.63 1jyn s VAL 484 N -2.42 2.34 0.25 3.83 1.01 -1.26 -1.41 120.40 122.74 1jyn s VAL 484 Ca 0.68 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1jyn s VAL 484 Cb -0.23 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1jyn s VAL 484 CO 0.50 0.57 0.01 0.00 0.00 0.00 0.00 175.10 176.18 1jyn s GLN 485 N -0.17 1.40 -0.29 2.72 -2.07 0.19 -0.33 119.66 121.11 1jyn s GLN 485 Ca -0.03 -1.72 -0.16 0.00 -1.82 0.00 0.00 55.36 51.63 1jyn s GLN 485 Cb -0.14 -0.65 0.18 0.00 -1.09 0.00 0.00 33.01 31.31 1jyn s GLN 485 CO 0.04 -0.12 1.14 -0.47 -1.32 0.00 0.00 175.29 174.56 1jyn s TYR 486 N -3.41 -0.28 -0.23 9.60 5.04 -1.26 -2.57 117.35 124.24 1jyn s TYR 486 Ca 0.30 0.57 0.22 0.00 -2.44 0.00 0.00 57.07 55.72 1jyn s TYR 486 Cb 0.06 0.17 -0.03 0.00 0.35 0.00 0.00 41.96 42.52 1jyn s TYR 486 CO 0.10 -0.14 0.99 -1.91 -1.34 0.00 0.00 175.55 173.26 1jyn n GLU 487 N 3.35 0.60 -1.58 4.97 0.00 -1.26 -4.61 120.64 122.10 1jyn n GLU 487 Ca -0.18 0.09 -0.37 0.00 0.00 0.00 0.00 57.16 56.71 1jyn n GLU 487 Cb 0.57 -1.79 0.08 0.00 0.00 0.00 0.00 31.44 30.29 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 1.19 0.17 2.21 8.31 0.00 -1.26 -0.73 105.19 115.08 1jyn n GLY 488 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 0.98 0.64 0.00 -0.02 0.00 -1.23 -3.91 105.19 101.64 1jyn n GLY 489 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.58 0.94 3.58 -0.02 0.00 -1.21 -4.73 105.19 102.17 1jyn n GLY 490 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.66 0.00 -2.53 4.61 0.00 0.09 -4.67 120.51 117.35 1jyn n ALA 491 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1jyn n ALA 491 Cb 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.20 1.04 -3.92 0.00 5.68 -1.26 -1.96 116.55 115.92 1jyn n ASP 492 Ca 0.00 -2.00 -0.30 0.00 -0.50 0.00 0.00 54.79 51.99 1jyn n ASP 492 Cb 0.10 -0.31 0.22 0.00 -1.14 0.00 0.00 41.12 39.99 1jyn n ASP 492 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1jyn s THR 493 N -0.34 1.74 -2.00 2.12 -4.23 -1.26 -4.91 115.64 106.76 1jyn s THR 493 Ca 0.33 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.07 1jyn s THR 493 Cb 0.38 -2.68 0.66 0.00 1.34 0.00 0.00 72.50 72.20 1jyn s THR 493 CO -0.16 0.00 1.75 0.35 -0.54 0.00 0.00 174.62 176.03 1jyn n THR 494 N -4.40 0.00 -0.98 3.99 -2.24 -1.26 -2.82 114.28 106.57 1jyn n THR 494 Ca 0.14 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.97 1jyn n THR 494 Cb 0.59 -0.62 0.33 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.99 3.68 -3.40 6.98 0.00 -1.26 -4.93 120.51 120.59 1jyn n ALA 495 Ca 0.17 -2.18 -0.13 0.00 0.00 0.00 0.00 53.44 51.30 1jyn n ALA 495 Cb 0.08 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.85 -0.03 -0.75 0.00 -1.32 -1.13 -4.21 115.64 105.36 1jyn s THR 496 Ca 0.50 0.11 0.26 0.00 -1.21 0.00 0.00 61.69 61.34 1jyn s THR 496 Cb 0.39 -0.16 0.18 0.00 -1.51 0.00 0.00 72.50 71.40 1jyn s THR 496 CO 0.12 0.04 1.61 0.47 -2.21 0.00 0.00 174.62 174.65 1jyn n ASP 497 N 3.69 0.66 -4.03 8.08 8.00 0.56 -4.82 116.55 128.68 1jyn n ASP 497 Ca -0.21 0.35 -0.23 0.00 0.71 0.00 0.00 54.79 55.41 1jyn n ASP 497 Cb 0.55 -0.35 -0.16 0.00 -0.02 0.00 0.00 41.12 41.14 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 -3.11 1.01 -0.22 0.53 1.01 -1.26 -4.50 121.20 114.67 1jyn s ILE 498 Ca 0.09 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 1jyn s ILE 498 Cb 0.14 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1jyn s ILE 498 CO 0.64 0.31 1.42 -0.63 0.00 0.00 0.00 174.94 176.68 1jyn s ILE 499 N 0.32 3.99 -0.45 2.92 1.01 -0.10 -4.67 121.20 124.22 1jyn s ILE 499 Ca -0.07 1.15 0.09 0.00 0.00 0.00 0.00 60.65 61.82 1jyn s ILE 499 Cb -0.11 -3.92 0.32 0.00 0.01 0.00 0.00 42.46 38.76 1jyn s ILE 499 CO 0.02 -0.30 0.74 0.00 0.00 0.00 0.00 174.94 175.40 1jyn s PRO 501 N -2.43 1.38 -0.16 0.00 0.04 -1.26 -3.56 135.00 129.02 1jyn s PRO 501 Ca 0.41 1.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1jyn s PRO 501 Cb 0.28 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 33.00 1jyn s PRO 501 CO -0.09 -2.22 -0.10 0.00 0.04 0.00 0.00 177.00 174.63 1jyn s MET 502 N -4.85 3.41 -1.83 4.56 0.23 -1.26 -0.69 119.30 118.87 1jyn s MET 502 Ca 0.64 -0.65 0.00 0.00 -1.03 0.00 0.00 55.69 54.64 1jyn s MET 502 Cb -0.19 -2.76 0.00 0.00 -1.53 0.00 0.00 34.83 30.36 1jyn s MET 502 CO 0.57 0.11 0.00 0.66 -2.03 0.00 0.00 175.02 174.33 1jyn n TYR 503 N 3.86 -0.15 -2.34 3.16 4.01 0.14 -4.96 117.16 120.87 1jyn n TYR 503 Ca -0.18 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.17 1jyn n TYR 503 Cb 0.52 -3.14 -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 -2.70 3.23 0.71 -0.72 0.00 -1.26 -4.91 121.76 116.11 1jyn s ALA 504 Ca 0.00 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1jyn s ALA 504 Cb 0.00 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1jyn s ALA 504 CO 0.00 -0.42 1.01 1.03 0.00 0.00 0.00 175.76 177.37 1jyn s ARG 505 N -2.09 2.08 -0.04 0.00 0.52 -1.26 -4.79 118.95 113.37 1jyn s ARG 505 Ca 0.54 -0.40 -0.24 0.00 -0.52 0.00 0.00 55.73 55.11 1jyn s ARG 505 Cb -0.31 -2.20 -0.22 0.00 0.52 0.00 0.00 34.95 32.74 1jyn s ARG 505 CO 0.39 -1.28 1.08 0.28 0.02 0.00 0.00 175.30 175.79 1jyn h VAL 506 N -0.59 1.51 0.00 3.52 2.07 -1.94 -1.57 116.25 119.24 1jyn h VAL 506 Ca -0.43 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1jyn h VAL 506 Cb 1.30 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1jyn h VAL 506 CO 0.56 0.51 -0.76 0.47 0.02 0.00 0.00 177.57 178.38 1jyn n ASP 507 N -4.51 3.55 -4.65 0.57 8.00 -1.26 -3.39 116.55 114.86 1jyn n ASP 507 Ca -0.09 -0.14 -0.38 0.00 0.71 0.00 0.00 54.79 54.88 1jyn n ASP 507 Cb 0.49 1.02 -0.08 0.00 -0.02 0.00 0.00 41.12 42.53 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 -1.77 4.13 0.48 -1.24 2.12 -1.26 -4.74 118.70 116.42 1jyn s GLU 508 Ca -0.00 0.18 -0.19 0.00 0.36 0.00 0.00 54.97 55.32 1jyn s GLU 508 Cb 0.00 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 1jyn s GLU 508 CO 0.02 -0.11 0.99 -0.51 -0.54 0.00 0.00 175.26 175.12 1jyn s ASP 509 N 1.20 6.57 -0.41 -1.70 1.01 -1.26 -3.81 116.67 118.28 1jyn s ASP 509 Ca 0.18 1.75 0.01 0.00 0.71 0.00 0.00 52.55 55.21 1jyn s ASP 509 Cb -0.15 -2.54 0.14 0.00 1.01 0.00 0.00 42.92 41.38 1jyn s ASP 509 CO 0.08 -0.62 0.24 -1.10 0.21 0.00 0.00 175.17 173.98 1jyn s GLN 510 N -3.47 1.00 -1.26 8.23 -0.21 -0.02 -4.90 119.66 119.02 1jyn s GLN 510 Ca 0.63 -1.77 -0.09 0.00 0.02 0.00 0.00 55.36 54.15 1jyn s GLN 510 Cb -0.12 -1.90 -0.11 0.00 1.00 0.00 0.00 33.01 31.88 1jyn s GLN 510 CO 0.21 -1.19 2.89 -0.35 -2.12 0.00 0.00 175.29 174.73 1jyn n PRO 511 N 3.67 3.15 -1.84 2.91 -0.04 -1.26 -0.16 135.00 141.44 1jyn n PRO 511 Ca 0.11 -1.88 -0.37 0.00 -0.04 0.00 0.00 63.50 61.32 1jyn n PRO 511 Cb 0.36 -2.61 0.05 0.00 -0.04 0.00 0.00 33.50 31.26 1jyn n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jyn s PHE 512 N 2.22 2.21 0.40 0.54 0.08 -1.26 -4.83 117.98 117.34 1jyn s PHE 512 Ca 0.64 1.48 -0.25 0.00 0.12 0.00 0.00 56.93 58.91 1jyn s PHE 512 Cb 0.18 -3.64 -0.08 0.00 -0.57 0.00 0.00 43.02 38.91 1jyn s PHE 512 CO -0.05 -2.69 1.21 -2.14 -0.10 0.00 0.00 175.22 171.45 1jyn s PRO 513 N -3.29 4.03 0.00 0.24 0.02 -1.26 -2.40 135.00 132.34 1jyn s PRO 513 Ca 0.79 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1jyn s PRO 513 Cb -0.36 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1jyn s PRO 513 CO 0.39 -0.37 0.00 0.00 -0.33 0.00 0.00 177.00 176.69 1jyn n ALA 514 N 0.09 0.00 -3.25 -1.55 0.00 -1.26 -4.53 120.51 110.01 1jyn n ALA 514 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 1jyn n ALA 514 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 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 1.11 -1.96 0.00 0.24 -1.24 -4.85 118.33 111.64 1jyn n VAL 515 Ca 0.00 -4.78 -0.36 0.00 -2.04 0.00 0.00 64.34 57.16 1jyn n VAL 515 Cb 0.00 -1.74 0.04 0.00 -1.47 0.00 0.00 33.84 30.67 1jyn n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1jyn s PRO 516 N -2.16 2.89 -0.70 7.34 0.04 -1.01 -4.58 135.00 136.81 1jyn s PRO 516 Ca 0.39 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.22 1jyn s PRO 516 Cb 0.20 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 33.00 1jyn s PRO 516 CO -0.07 -1.28 0.55 0.15 0.04 0.00 0.00 177.00 176.40 1jyn s LYS 517 N -3.37 2.90 0.75 4.56 1.02 0.78 -4.85 119.74 121.53 1jyn s LYS 517 Ca 0.78 -2.57 -0.11 0.00 0.02 0.00 0.00 55.97 54.08 1jyn s LYS 517 Cb -0.31 -3.94 0.05 0.00 -0.52 0.00 0.00 37.83 33.11 1jyn s LYS 517 CO 0.34 -1.21 1.09 -1.58 -0.92 0.00 0.00 175.35 173.07 1jyn s TRP 518 N -0.11 2.63 0.26 3.18 0.52 -1.26 -0.84 118.94 123.32 1jyn s TRP 518 Ca 0.18 1.54 -0.30 0.00 0.02 0.00 0.00 56.10 57.54 1jyn s TRP 518 Cb -0.17 -3.04 -0.14 0.00 -1.15 0.00 0.00 33.47 28.97 1jyn s TRP 518 CO -0.05 -1.73 1.21 0.45 0.02 0.00 0.00 176.95 176.85 1jyn n SER 519 N -3.36 2.02 0.12 2.95 2.88 -1.25 -4.41 113.62 112.56 1jyn n SER 519 Ca 0.09 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.82 1jyn n SER 519 Cb 0.53 -1.35 0.39 0.00 -0.75 0.00 0.00 64.21 63.02 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 2.55 1.18 -0.69 2.46 3.07 -1.29 -0.37 117.51 124.43 1jyn h ILE 520 Ca -0.43 -0.82 -0.06 0.00 1.55 0.00 0.00 64.86 65.10 1jyn h ILE 520 Cb 1.31 1.24 -0.03 0.00 -0.27 0.00 0.00 36.82 39.07 1jyn h ILE 520 CO 0.68 0.25 0.18 0.11 -1.05 0.00 0.00 178.15 178.32 1jyn h LYS 521 N 0.21 1.09 0.01 0.16 1.57 -1.85 -3.03 116.57 114.73 1jyn h LYS 521 Ca 0.04 -0.25 -0.21 0.00 -1.87 0.00 0.00 60.65 58.36 1jyn h LYS 521 Cb 0.40 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1jyn h LYS 521 CO 0.02 0.96 -0.91 -0.22 -0.57 0.00 0.00 179.45 178.73 1jyn h LYS 522 N 1.02 0.23 -0.97 3.15 3.64 -1.74 -3.30 116.57 118.60 1jyn h LYS 522 Ca 0.22 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1jyn h LYS 522 Cb 0.35 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1jyn h LYS 522 CO -0.00 0.99 0.63 2.35 -2.27 0.00 0.00 179.45 181.15 1jyn h TRP 523 N 0.12 1.23 -0.18 1.91 2.91 -0.97 -2.34 115.95 118.63 1jyn h TRP 523 Ca -0.05 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.03 1jyn h TRP 523 Cb 1.55 -0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 29.78 1jyn h TRP 523 CO 0.04 0.79 0.13 -0.07 -1.03 0.00 0.00 178.44 178.29 1jyn h LEU 524 N 1.32 0.05 -3.13 0.65 3.38 -1.61 -2.81 115.31 113.15 1jyn h LEU 524 Ca 0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1jyn h LEU 524 Cb -0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1jyn h LEU 524 CO -0.07 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 176.95 1jyn n SER 525 N -4.49 3.99 -4.74 -0.43 3.41 -0.89 -4.53 113.62 105.94 1jyn n SER 525 Ca 0.01 -2.55 -0.37 0.00 -0.26 0.00 0.00 58.87 55.70 1jyn n SER 525 Cb 0.23 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.00 3.64 -0.18 1.04 1.43 -1.06 -4.77 118.68 116.77 1jyn s LEU 526 Ca 0.40 2.66 -0.40 0.00 -1.03 0.00 0.00 54.13 55.77 1jyn s LEU 526 Cb 0.28 -4.54 -0.17 0.00 0.03 0.00 0.00 46.19 41.79 1jyn s LEU 526 CO 0.16 -1.91 1.56 -2.65 0.23 0.00 0.00 176.35 173.74 1jyn n PRO 527 N -1.71 0.91 -0.16 1.29 -0.02 -1.26 -0.93 135.00 133.13 1jyn n PRO 527 Ca 0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1jyn n PRO 527 Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 3.49 1.92 3.79 -1.23 0.00 -1.26 -5.02 105.19 106.88 1jyn n GLY 528 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.26 4.41 0.00 1.61 2.56 -0.10 -4.93 118.70 121.99 1jyn s GLU 529 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 54.97 55.97 1jyn s GLU 529 Cb 0.00 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.97 1jyn s GLU 529 CO 0.00 0.54 0.00 0.25 -0.56 0.00 0.00 175.26 175.49 1jyn n THR 530 N 1.39 0.00 -1.81 -1.70 -2.24 -1.26 -4.78 114.28 103.88 1jyn n THR 530 Ca -0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 1jyn n THR 530 Cb 0.50 1.94 0.03 0.00 -2.10 0.00 0.00 70.33 70.69 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 3.15 0.70 -0.78 0.52 -1.26 -3.97 118.95 117.31 1jyn s ARG 531 Ca 0.00 1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 56.15 1jyn s ARG 531 Cb 0.00 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.47 1jyn s ARG 531 CO 0.00 -0.93 1.07 -1.25 0.02 0.00 0.00 175.30 174.21 1jyn s PRO 532 N -4.61 2.84 -0.13 3.54 0.04 -0.96 -4.78 135.00 130.95 1jyn s PRO 532 Ca 0.60 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.68 1jyn s PRO 532 Cb -0.15 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1jyn s PRO 532 CO 0.46 -1.18 -0.16 -1.17 0.04 0.00 0.00 177.00 175.00 1jyn s LEU 533 N -5.52 1.75 -0.12 -3.56 0.20 -0.33 -0.93 118.68 110.18 1jyn s LEU 533 Ca 0.59 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.91 1jyn s LEU 533 Cb -0.15 -1.17 0.04 0.00 -0.43 0.00 0.00 46.19 44.48 1jyn s LEU 533 CO 0.53 -0.01 0.04 -0.63 -0.29 0.00 0.00 176.35 175.99 1jyn s ILE 534 N 1.19 0.25 0.18 6.68 1.01 -0.42 -1.29 121.20 128.80 1jyn s ILE 534 Ca -0.01 -0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 1jyn s ILE 534 Cb -0.14 -0.62 -0.10 0.00 0.01 0.00 0.00 42.46 41.61 1jyn s ILE 534 CO -0.06 0.00 1.52 -0.76 0.00 0.00 0.00 174.94 175.65 1jyn s LEU 535 N 2.01 4.37 0.36 2.97 1.02 -0.49 -4.17 118.68 124.74 1jyn s LEU 535 Ca 0.03 2.60 0.18 0.00 0.02 0.00 0.00 54.13 56.96 1jyn s LEU 535 Cb -0.14 -3.60 0.58 0.00 0.02 0.00 0.00 46.19 43.05 1jyn s LEU 535 CO -0.06 -0.78 1.68 0.00 0.02 0.00 0.00 176.35 177.21 1jyn s GLN 537 N -3.49 0.28 0.09 0.00 -0.21 -1.22 -4.29 119.66 110.82 1jyn s GLN 537 Ca 0.01 0.60 -0.14 0.00 0.02 0.00 0.00 55.36 55.85 1jyn s GLN 537 Cb 0.10 -0.06 0.02 0.00 1.00 0.00 0.00 33.01 34.07 1jyn s GLN 537 CO 0.70 -0.15 0.34 1.52 -2.12 0.00 0.00 175.29 175.57 1jyn s TYR 538 N 1.20 -0.12 0.27 0.91 1.13 -0.90 0.25 117.35 120.10 1jyn s TYR 538 Ca -0.09 -0.15 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 1jyn s TYR 538 Cb -0.09 0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 1jyn s TYR 538 CO -0.09 -0.61 0.00 0.00 -2.51 0.00 0.00 175.55 172.34 1jyn n ALA 539 N 0.07 -1.53 -3.34 9.51 0.00 -1.26 -0.82 120.51 123.14 1jyn n ALA 539 Ca -0.17 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1jyn n ALA 539 Cb 0.62 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.86 -0.66 -0.11 0.00 2.46 -0.35 -3.82 115.29 108.95 1jyn s HIS 540 Ca 0.00 -0.20 -0.06 0.00 0.47 0.00 0.00 55.06 55.27 1jyn s HIS 540 Cb 0.00 -0.30 -0.25 0.00 -0.13 0.00 0.00 32.58 31.90 1jyn s HIS 540 CO 0.00 -0.97 3.57 0.00 -2.47 0.00 0.00 174.74 174.87 1jyn n ALA 541 N 4.93 6.46 -2.56 1.58 0.00 0.13 -4.46 120.51 126.57 1jyn n ALA 541 Ca 0.04 -1.96 -0.42 0.00 0.00 0.00 0.00 53.44 51.10 1jyn n ALA 541 Cb 0.47 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 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 1.01 3.63 3.43 0.00 0.00 -1.26 -3.24 119.30 122.87 1jyn s MET 542 Ca 0.67 0.02 0.00 0.00 0.00 0.00 0.00 55.69 56.38 1jyn s MET 542 Cb 0.31 -3.83 0.00 0.00 0.00 0.00 0.00 34.83 31.31 1jyn s MET 542 CO -0.01 -0.79 0.00 0.41 0.00 0.00 0.00 175.02 174.63 1jyn n GLY 543 N 4.71 0.37 3.56 2.11 0.00 -1.26 -4.21 105.19 110.47 1jyn n GLY 543 Ca -0.01 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 6.25 0.00 1.61 3.84 -1.26 -4.87 114.94 116.51 1jyn s ASN 544 Ca 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 52.86 52.80 1jyn s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1jyn s ASN 544 CO 0.00 -1.73 0.00 -0.24 -2.79 0.00 0.00 177.10 172.34 1jyn n SER 545 N 9.08 0.00 0.00 -4.21 2.88 -1.26 -4.76 113.62 115.35 1jyn n SER 545 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1jyn n SER 545 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.00 -4.74 2.46 4.32 -1.18 -4.80 117.00 113.06 1jyn n LEU 546 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 1jyn n LEU 546 Cb 0.00 -0.48 -0.03 0.00 -1.62 0.00 0.00 43.42 41.29 1jyn n LEU 546 CO 0.00 0.00 1.09 -0.83 -1.22 0.00 0.00 177.39 176.43 1jyn s GLY 547 N -2.25 2.23 0.00 -0.72 0.00 0.49 -1.75 107.32 105.32 1jyn s GLY 547 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.00 1jyn s GLY 547 CO 0.00 2.29 0.00 0.61 0.00 0.00 0.00 173.10 176.00 1jyn n GLY 548 N 2.51 0.73 0.37 0.20 0.00 -0.24 -3.96 105.19 104.78 1jyn n GLY 548 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 1.12 0.00 1.61 3.57 -1.52 -0.80 116.94 120.92 1jyn h PHE 549 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1jyn h PHE 549 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.37 1jyn h PHE 549 CO 0.00 0.50 -0.13 0.00 -2.23 0.00 0.00 178.31 176.45 1jyn h ALA 550 N 1.52 1.43 -0.23 2.41 0.00 -1.85 -2.04 119.26 120.50 1jyn h ALA 550 Ca 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1jyn h ALA 550 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jyn h ALA 550 CO -0.22 0.17 -0.01 -0.22 0.00 0.00 0.00 179.25 178.97 1jyn h LYS 551 N 0.00 0.35 -0.07 0.00 3.64 -1.53 -2.20 116.57 116.76 1jyn h LYS 551 Ca -0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1jyn h LYS 551 Cb 0.30 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1jyn h LYS 551 CO 0.02 0.39 -0.02 1.88 -2.27 0.00 0.00 179.45 179.45 1jyn h TYR 552 N 0.34 0.14 -0.31 1.91 0.05 -1.42 -2.76 116.97 114.93 1jyn h TYR 552 Ca 0.08 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 1jyn h TYR 552 Cb 0.25 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1jyn h TYR 552 CO 0.01 0.46 -0.06 -1.49 -1.05 0.00 0.00 178.16 176.02 1jyn h TRP 553 N -0.21 0.53 -0.77 4.88 4.06 -1.48 -0.51 115.95 122.44 1jyn h TRP 553 Ca 0.02 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 1jyn h TRP 553 Cb 0.41 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 1jyn h TRP 553 CO 0.05 0.57 0.30 0.37 -3.56 0.00 0.00 178.44 176.17 1jyn h GLN 554 N 0.48 1.15 -0.21 0.49 -0.00 -1.40 -1.52 115.11 114.09 1jyn h GLN 554 Ca 0.10 -0.21 -0.09 0.00 -0.00 0.00 0.00 58.65 58.45 1jyn h GLN 554 Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.70 1jyn h GLN 554 CO 0.02 0.94 -0.22 0.00 0.00 0.00 0.00 178.83 179.57 1jyn h ALA 555 N 1.20 0.31 -0.97 3.38 0.00 -1.09 -1.62 119.26 120.47 1jyn h ALA 555 Ca 0.26 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1jyn h ALA 555 Cb 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1jyn h ALA 555 CO -0.02 0.26 0.63 0.74 0.00 0.00 0.00 179.25 180.86 1jyn h PHE 556 N 0.20 1.17 -0.03 0.00 0.04 -0.94 -0.81 116.94 116.57 1jyn h PHE 556 Ca 0.03 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 1jyn h PHE 556 Cb 0.77 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1jyn h PHE 556 CO 0.08 0.63 -0.68 0.00 -0.60 0.00 0.00 178.31 177.74 1jyn h ARG 557 N 1.17 0.16 -0.02 1.51 3.08 -1.14 -3.30 114.38 115.84 1jyn h ARG 557 Ca 0.41 -0.13 -0.22 0.00 0.07 0.00 0.00 59.98 60.11 1jyn h ARG 557 Cb 0.10 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1jyn h ARG 557 CO -0.15 0.78 -0.90 0.37 -1.07 0.00 0.00 179.97 179.00 1jyn h GLN 558 N 0.11 0.45 -4.97 0.04 4.15 -0.67 -3.44 115.11 110.79 1jyn h GLN 558 Ca -0.01 -0.45 -0.65 0.00 0.77 0.00 0.00 58.65 58.30 1jyn h GLN 558 Cb 1.22 0.12 -0.24 0.00 0.21 0.00 0.00 27.48 28.79 1jyn h GLN 558 CO 0.10 1.11 -0.65 0.71 -1.93 0.00 0.00 178.83 178.17 1jyn s TYR 559 N -3.36 3.06 0.21 3.99 1.51 -0.37 -5.00 117.35 117.40 1jyn s TYR 559 Ca -0.06 -0.54 -0.09 0.00 -1.01 0.00 0.00 57.07 55.37 1jyn s TYR 559 Cb 0.09 -2.20 0.24 0.00 -0.11 0.00 0.00 41.96 39.98 1jyn s TYR 559 CO 0.87 -0.40 1.81 -1.35 -1.11 0.00 0.00 175.55 175.37 1jyn h PRO 560 N 8.18 0.67 0.00 -1.71 0.11 -1.86 -1.64 132.00 135.75 1jyn h PRO 560 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jyn h PRO 560 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jyn h PRO 560 CO 0.59 0.44 0.00 0.54 -0.21 0.00 0.00 178.00 179.36 1jyn n ARG 561 N -4.78 0.32 -2.87 1.05 1.74 -1.26 -4.31 116.66 106.54 1jyn n ARG 561 Ca 0.08 0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 1jyn n ARG 561 Cb 0.17 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.60 4.39 -0.31 0.55 1.43 -0.62 -1.18 118.68 120.33 1jyn s LEU 562 Ca 0.22 -0.92 0.10 0.00 -1.03 0.00 0.00 54.13 52.50 1jyn s LEU 562 Cb 0.16 -2.46 0.72 0.00 0.03 0.00 0.00 46.19 44.64 1jyn s LEU 562 CO 0.37 -1.40 1.76 0.00 0.23 0.00 0.00 176.35 177.32 1jyn n GLN 563 N 7.62 3.59 0.00 1.70 6.02 -0.41 -4.63 117.38 131.26 1jyn n GLN 563 Ca -0.03 -3.09 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 1jyn n GLN 563 Cb 0.46 -2.17 0.00 0.00 1.02 0.00 0.00 30.24 29.54 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 -0.23 -0.52 0.00 1.08 0.00 -1.26 0.49 105.19 104.75 1jyn n GLY 564 Ca 0.39 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.95 3.15 -0.02 0.00 -0.66 -1.40 105.19 105.30 1jyn n GLY 565 Ca 0.00 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 3.11 0.45 1.61 0.40 -0.29 -0.88 117.98 120.37 1jyn s PHE 566 Ca 0.00 -1.83 -0.24 0.00 -0.60 0.00 0.00 56.93 54.26 1jyn s PHE 566 Cb 0.00 -2.01 -0.09 0.00 0.51 0.00 0.00 43.02 41.43 1jyn s PHE 566 CO 0.00 -0.79 1.21 0.28 0.70 0.00 0.00 175.22 176.61 1jyn n VAL 567 N 4.59 2.75 -3.64 -0.44 0.31 -0.13 -2.11 118.33 119.66 1jyn n VAL 567 Ca -0.16 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.28 1jyn n VAL 567 Cb 0.46 -1.47 -0.10 0.00 -0.91 0.00 0.00 33.84 31.81 1jyn n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1jyn s TRP 568 N -1.25 3.37 0.03 3.52 -0.11 0.00 -0.95 118.94 123.56 1jyn s TRP 568 Ca 0.64 -1.69 -0.00 0.00 1.22 0.00 0.00 56.10 56.26 1jyn s TRP 568 Cb -0.50 -2.98 0.00 0.00 -1.50 0.00 0.00 33.47 28.49 1jyn s TRP 568 CO 0.56 -0.87 0.04 -0.40 -4.62 0.00 0.00 176.95 171.66 1jyn n ASP 569 N 4.86 -0.12 0.03 5.86 5.75 -0.54 -0.70 116.55 131.68 1jyn n ASP 569 Ca -0.09 -1.17 -0.09 0.00 -0.01 0.00 0.00 54.79 53.43 1jyn n ASP 569 Cb 0.43 0.23 -0.07 0.00 -1.03 0.00 0.00 41.12 40.68 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 1.09 -0.16 -4.01 2.11 -0.00 -1.29 -1.41 115.95 112.28 1jyn h TRP 570 Ca -0.02 -0.00 -0.50 0.00 -0.00 0.00 0.00 58.89 58.36 1jyn h TRP 570 Cb 0.11 0.05 -0.30 0.00 -0.00 0.00 0.00 29.16 29.02 1jyn h TRP 570 CO 0.00 0.25 -0.82 0.54 -0.00 0.00 0.00 178.44 178.41 1jyn s VAL 571 N -2.83 1.16 0.40 2.65 0.11 -1.26 -0.63 120.40 120.01 1jyn s VAL 571 Ca -0.10 -0.59 -0.27 0.00 -2.93 0.00 0.00 61.98 58.08 1jyn s VAL 571 Cb -0.00 -0.99 -0.10 0.00 -1.53 0.00 0.00 36.38 33.76 1jyn s VAL 571 CO 0.38 0.34 1.43 -1.81 -3.33 0.00 0.00 175.10 172.11 1jyn s ASP 572 N -0.08 6.19 -1.20 3.54 1.01 -0.62 -4.38 116.67 121.12 1jyn s ASP 572 Ca 0.00 2.93 -0.04 0.00 0.71 0.00 0.00 52.55 56.16 1jyn s ASP 572 Cb -0.08 -2.66 0.20 0.00 1.01 0.00 0.00 42.92 41.39 1jyn s ASP 572 CO 0.01 -0.96 2.11 0.00 0.21 0.00 0.00 175.17 176.54 1jyn n GLN 573 N 0.20 4.84 -3.44 8.23 6.02 -0.08 -3.90 117.38 129.25 1jyn n GLN 573 Ca 0.03 -3.95 -0.27 0.00 -0.01 0.00 0.00 57.00 52.79 1jyn n GLN 573 Cb 0.41 -2.59 -0.03 0.00 1.02 0.00 0.00 30.24 29.05 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 -0.32 6.40 0.11 1.08 1.04 -1.26 -4.69 113.70 116.06 1jyn s SER 574 Ca 0.47 0.58 0.10 0.00 0.48 0.00 0.00 55.95 57.57 1jyn s SER 574 Cb 0.17 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 1jyn s SER 574 CO -0.09 -0.17 -0.24 -0.76 0.98 0.00 0.00 173.24 172.96 1jyn s LEU 575 N -3.63 2.42 0.07 2.42 1.43 -0.59 -4.38 118.68 116.42 1jyn s LEU 575 Ca 0.42 -0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 52.59 1jyn s LEU 575 Cb -0.11 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.73 1jyn s LEU 575 CO 0.31 0.20 0.86 -0.63 0.23 0.00 0.00 176.35 177.31 1jyn s ILE 576 N -1.04 4.63 0.27 -0.59 -1.09 -0.81 0.88 121.20 123.46 1jyn s ILE 576 Ca 0.15 1.84 0.08 0.00 -2.23 0.00 0.00 60.65 60.48 1jyn s ILE 576 Cb -0.10 -4.21 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 1jyn s ILE 576 CO 0.06 0.34 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.48 1jyn s LYS 577 N -0.00 1.55 -0.06 2.79 1.02 0.23 -4.91 119.74 120.35 1jyn s LYS 577 Ca 0.43 -1.76 0.05 0.00 0.02 0.00 0.00 55.97 54.70 1jyn s LYS 577 Cb -0.22 -1.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.82 1jyn s LYS 577 CO 0.26 0.11 -0.21 0.71 -0.92 0.00 0.00 175.35 175.30 1jyn s TYR 578 N -2.91 2.13 0.87 3.18 2.02 -1.26 -0.55 117.35 120.83 1jyn s TYR 578 Ca 0.28 -0.70 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 1jyn s TYR 578 Cb 0.02 -1.43 0.12 0.00 -0.40 0.00 0.00 41.96 40.27 1jyn s TYR 578 CO 0.12 -0.25 1.21 0.16 -1.57 0.00 0.00 175.55 175.22 1jyn s ASP 579 N 0.08 3.95 0.31 2.29 1.47 -0.60 -4.84 116.67 119.34 1jyn s ASP 579 Ca -0.08 0.67 0.08 0.00 1.18 0.00 0.00 52.55 54.40 1jyn s ASP 579 Cb -0.14 -1.05 0.89 0.00 -0.34 0.00 0.00 42.92 42.29 1jyn s ASP 579 CO 0.04 -2.25 1.63 -0.08 0.68 0.00 0.00 175.17 175.20 1jyn h GLU 580 N -1.29 0.19 0.00 2.11 4.22 -2.01 1.11 114.58 118.90 1jyn h GLU 580 Ca -0.46 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1jyn h GLU 580 Cb 1.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1jyn h GLU 580 CO 0.58 0.12 0.00 0.09 -2.18 0.00 0.00 179.01 177.62 1jyn n ASN 581 N -5.22 0.04 0.00 1.04 3.02 -1.26 -4.91 115.26 107.98 1jyn n ASN 581 Ca 0.26 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1jyn n ASN 581 Cb 0.85 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.94 0.54 3.78 7.41 0.00 0.38 -5.05 105.19 113.20 1jyn n GLY 582 Ca 0.06 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.67 6.74 0.54 1.61 0.01 -1.26 -4.75 114.94 115.17 1jyn s ASN 583 Ca 0.00 0.88 -0.19 0.00 -0.71 0.00 0.00 52.86 52.84 1jyn s ASN 583 Cb 0.00 -2.27 -0.06 0.00 0.41 0.00 0.00 41.25 39.34 1jyn s ASN 583 CO 0.00 0.16 1.08 -2.16 -1.51 0.00 0.00 177.10 174.68 1jyn s PRO 584 N -0.22 3.44 -0.07 -0.60 0.04 -1.26 -1.55 135.00 134.77 1jyn s PRO 584 Ca 0.24 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1jyn s PRO 584 Cb -0.16 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1jyn s PRO 584 CO 0.12 -0.75 0.46 1.67 0.04 0.00 0.00 177.00 178.54 1jyn s TRP 585 N -2.02 -0.42 -0.16 0.56 1.48 0.28 -4.92 118.94 113.75 1jyn s TRP 585 Ca 0.69 0.81 -0.29 0.00 -1.06 0.00 0.00 56.10 56.24 1jyn s TRP 585 Cb -0.20 0.21 -0.01 0.00 -1.16 0.00 0.00 33.47 32.32 1jyn s TRP 585 CO 0.28 -0.41 1.08 -1.12 -4.06 0.00 0.00 176.95 172.72 1jyn s SER 586 N -0.83 7.12 0.23 -2.66 0.01 -1.26 -0.60 113.70 115.70 1jyn s SER 586 Ca -0.09 1.53 0.08 0.00 1.31 0.00 0.00 55.95 58.78 1jyn s SER 586 Cb -0.03 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1jyn s SER 586 CO 0.05 -0.60 0.06 0.00 0.41 0.00 0.00 173.24 173.16 1jyn s ALA 587 N 2.74 3.32 0.00 1.44 0.00 0.25 -4.90 121.76 124.61 1jyn s ALA 587 Ca 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1jyn s ALA 587 Cb -0.18 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1jyn s ALA 587 CO 0.13 0.34 0.00 2.48 0.00 0.00 0.00 175.76 178.71 1jyn n TYR 588 N -0.71 0.00 -1.69 0.00 0.18 -1.26 -1.55 117.16 112.13 1jyn n TYR 588 Ca -0.08 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.27 1jyn n TYR 588 Cb 0.57 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.52 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 2.31 0.56 2.35 -7.48 0.00 -0.56 -1.56 105.19 100.80 1jyn n GLY 589 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.95 2.76 0.00 -0.02 0.00 -1.26 -4.04 105.19 103.58 1jyn n GLY 590 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.19 1.61 8.00 -0.60 -2.18 116.55 123.19 1jyn n ASP 591 Ca 0.00 -0.63 0.06 0.00 0.71 0.00 0.00 54.79 54.93 1jyn n ASP 591 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.98 0.15 -0.71 1.24 3.01 -1.26 -4.92 117.46 113.99 1jyn n PHE 592 Ca 0.14 -0.78 0.00 0.00 1.01 0.00 0.00 57.45 57.82 1jyn n PHE 592 Cb 0.06 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 -0.86 0.95 3.70 1.37 0.00 -0.93 -4.85 105.19 104.57 1jyn n GLY 593 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.03 6.61 -0.19 1.61 -4.77 -1.26 -4.98 116.67 110.66 1jyn s ASP 594 Ca 0.00 2.51 -0.27 0.00 -3.30 0.00 0.00 52.55 51.49 1jyn s ASP 594 Cb 0.00 -2.57 0.08 0.00 -1.09 0.00 0.00 42.92 39.33 1jyn s ASP 594 CO 0.00 -0.86 0.74 0.28 0.70 0.00 0.00 175.17 176.03 1jyn s THR 595 N 2.14 0.00 0.95 2.11 -1.32 -1.26 -4.05 115.64 114.22 1jyn s THR 595 Ca 0.72 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.09 1jyn s THR 595 Cb -0.41 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.75 1jyn s THR 595 CO 0.32 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 170.98 1jyn s PRO 596 N -0.21 0.77 0.24 7.08 0.02 -1.26 -5.15 135.00 136.49 1jyn s PRO 596 Ca -0.03 0.98 -0.12 0.00 0.02 0.00 0.00 61.00 61.84 1jyn s PRO 596 Cb -0.03 -1.74 -0.00 0.00 0.02 0.00 0.00 34.50 32.74 1jyn s PRO 596 CO 0.03 -2.62 0.45 0.54 -0.33 0.00 0.00 177.00 175.07 1jyn s ASN 597 N -3.08 -0.08 -0.36 2.53 2.20 -1.26 -4.72 114.94 110.17 1jyn s ASN 597 Ca 0.65 -0.92 0.06 0.00 -0.94 0.00 0.00 52.86 51.71 1jyn s ASN 597 Cb -0.20 0.56 0.48 0.00 -2.00 0.00 0.00 41.25 40.09 1jyn s ASN 597 CO 0.59 -1.10 1.47 0.47 -2.94 0.00 0.00 177.10 175.59 1jyn n ASP 598 N -0.36 4.13 0.00 3.54 8.00 -0.25 -4.94 116.55 126.67 1jyn n ASP 598 Ca -0.02 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.69 1jyn n ASP 598 Cb 0.62 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.96 0.00 -0.00 -1.24 1.85 -1.26 -1.38 116.66 113.67 1jyn n ARG 599 Ca 0.42 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 57.33 1jyn n ARG 599 Cb 0.95 0.00 0.35 0.00 -1.05 0.00 0.00 32.46 32.71 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 1.03 0.00 2.89 0.00 -1.26 -1.50 117.38 132.54 1jyn n GLN 600 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 57.00 56.97 1jyn n GLN 600 Cb 0.00 -1.19 0.10 0.00 0.00 0.00 0.00 30.24 29.15 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 -0.64 0.00 1.52 2.61 3.72 -0.48 -1.32 117.46 122.88 1jyn n PHE 601 Ca 0.09 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.64 1jyn n PHE 601 Cb 0.05 -0.50 0.66 0.00 -0.94 0.00 0.00 39.48 38.75 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 -2.32 2.19 -0.05 0.00 -1.94 -0.43 -0.90 119.30 115.85 1jyn s MET 603 Ca 0.34 -1.89 0.07 0.00 -1.71 0.00 0.00 55.69 52.49 1jyn s MET 603 Cb 0.21 -3.69 0.10 0.00 2.01 0.00 0.00 34.83 33.46 1jyn s MET 603 CO 0.44 -1.12 1.01 0.09 -0.01 0.00 0.00 175.02 175.43 1jyn n ASN 604 N 4.54 0.96 -4.86 3.03 5.03 -1.26 -4.20 115.26 118.50 1jyn n ASN 604 Ca -0.02 -2.31 -0.31 0.00 0.87 0.00 0.00 54.58 52.81 1jyn n ASN 604 Cb 0.41 -0.25 -0.03 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 -1.59 1.98 0.45 7.41 0.00 -1.20 -1.47 107.32 112.90 1jyn s GLY 605 Ca 0.11 -0.05 0.25 0.00 0.00 0.00 0.00 44.72 45.03 1jyn s GLY 605 CO 0.01 0.17 1.84 1.41 0.00 0.00 0.00 173.10 176.53 1jyn h LEU 606 N 1.06 0.00 -8.89 0.66 3.38 0.29 -3.43 115.31 108.38 1jyn h LEU 606 Ca -0.47 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.94 1jyn h LEU 606 Cb 1.19 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 1jyn h LEU 606 CO 0.63 0.20 -0.80 0.68 0.09 0.00 0.00 178.44 179.24 1jyn s VAL 607 N -3.64 1.99 0.85 1.22 -7.23 -0.23 -0.36 120.40 113.00 1jyn s VAL 607 Ca 0.01 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 1jyn s VAL 607 Cb 0.10 -1.93 0.10 0.00 0.56 0.00 0.00 36.38 35.21 1jyn s VAL 607 CO 0.63 -0.25 1.09 -0.36 -0.31 0.00 0.00 175.10 175.90 1jyn s PHE 608 N -1.91 2.35 0.55 2.82 0.08 0.54 -1.59 117.98 120.82 1jyn s PHE 608 Ca 0.17 1.43 0.26 0.00 0.12 0.00 0.00 56.93 58.92 1jyn s PHE 608 Cb -0.07 -3.12 1.46 0.00 -0.57 0.00 0.00 43.02 40.72 1jyn s PHE 608 CO 0.08 -2.20 2.01 0.00 -0.10 0.00 0.00 175.22 175.00 1jyn h ALA 609 N -1.42 2.29 -0.29 5.36 0.00 -1.90 0.19 119.26 123.49 1jyn h ALA 609 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jyn h ALA 609 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jyn h ALA 609 CO 0.52 -0.57 0.00 -0.40 0.00 0.00 0.00 179.25 178.80 1jyn n ASP 610 N -4.15 2.44 0.00 0.00 5.75 -1.26 -4.54 116.55 114.79 1jyn n ASP 610 Ca 0.07 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1jyn n ASP 610 Cb 0.54 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1jyn n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jyn n ARG 611 N 0.37 -0.21 -2.39 0.11 3.00 0.65 -5.01 116.66 113.18 1jyn n ARG 611 Ca 0.12 0.05 -0.40 0.00 -0.01 0.00 0.00 57.85 57.61 1jyn n ARG 611 Cb 0.48 -3.16 -0.04 0.00 0.00 0.00 0.00 32.46 29.74 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 -2.24 3.30 0.52 0.55 2.01 -1.26 -4.74 115.64 113.78 1jyn s THR 612 Ca 0.00 1.31 -0.19 0.00 0.31 0.00 0.00 61.69 63.11 1jyn s THR 612 Cb 0.00 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1jyn s THR 612 CO 0.00 0.31 1.07 -2.84 -0.69 0.00 0.00 174.62 172.47 1jyn s PRO 613 N -1.49 3.61 0.45 4.92 0.02 -1.26 -0.34 135.00 140.90 1jyn s PRO 613 Ca 0.46 1.41 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 1jyn s PRO 613 Cb -0.34 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.11 1jyn s PRO 613 CO 0.44 -0.60 0.68 -1.01 -0.33 0.00 0.00 177.00 176.18 1jyn s HIS 614 N -1.98 3.31 0.51 6.54 3.76 0.51 -4.77 115.29 123.17 1jyn s HIS 614 Ca 0.68 0.35 0.26 0.00 -0.15 0.00 0.00 55.06 56.21 1jyn s HIS 614 Cb -0.18 -2.27 1.58 0.00 1.11 0.00 0.00 32.58 32.81 1jyn s HIS 614 CO 0.24 -0.30 2.16 -1.35 -0.85 0.00 0.00 174.74 174.64 1jyn h PRO 615 N 0.39 0.00 0.00 8.40 0.11 -1.93 -1.81 132.00 137.16 1jyn h PRO 615 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1jyn h PRO 615 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jyn h PRO 615 CO 0.59 0.06 -0.07 0.00 -0.21 0.00 0.00 178.00 178.36 1jyn h ALA 616 N 1.94 1.16 -0.95 -0.75 0.00 -1.87 -2.72 119.26 116.08 1jyn h ALA 616 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1jyn h ALA 616 Cb 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1jyn h ALA 616 CO 0.01 0.09 0.61 1.25 0.00 0.00 0.00 179.25 181.21 1jyn h LEU 617 N 0.00 0.99 -1.16 0.00 5.85 -1.52 -0.74 115.31 118.72 1jyn h LEU 617 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1jyn h LEU 617 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1jyn h LEU 617 CO 0.01 0.65 -0.40 0.00 -0.34 0.00 0.00 178.44 178.35 1jyn h THR 618 N 1.13 1.29 -0.48 1.05 1.03 -1.67 -0.67 112.91 114.60 1jyn h THR 618 Ca 0.40 -1.40 -0.03 0.00 -0.01 0.00 0.00 66.41 65.37 1jyn h THR 618 Cb 0.11 1.73 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 1jyn h THR 618 CO -0.15 0.40 0.17 -0.08 -0.01 0.00 0.00 175.52 175.84 1jyn h GLU 619 N 0.03 0.73 -0.65 0.00 4.57 -1.34 -1.08 114.58 116.84 1jyn h GLU 619 Ca -0.00 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1jyn h GLU 619 Cb 0.72 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1jyn h GLU 619 CO 0.05 0.67 0.18 0.00 -1.18 0.00 0.00 179.01 178.74 1jyn h ALA 620 N 1.02 0.85 -0.62 2.92 0.00 -0.55 -1.38 119.26 121.50 1jyn h ALA 620 Ca 0.16 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1jyn h ALA 620 Cb 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1jyn h ALA 620 CO -0.01 0.54 0.26 -0.22 0.00 0.00 0.00 179.25 179.83 1jyn h LYS 621 N 0.95 0.46 -0.14 0.00 3.64 -0.90 -0.88 116.57 119.70 1jyn h LYS 621 Ca 0.21 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1jyn h LYS 621 Cb 0.32 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1jyn h LYS 621 CO -0.00 0.30 -0.08 1.25 -2.27 0.00 0.00 179.45 178.65 1jyn h HIS 622 N 0.47 0.35 0.00 1.91 2.76 -1.00 -2.96 115.15 116.69 1jyn h HIS 622 Ca 0.30 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1jyn h HIS 622 Cb 0.33 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1jyn h HIS 622 CO -0.14 0.64 -0.24 1.96 -1.30 0.00 0.00 177.93 178.85 1jyn h GLN 623 N -0.04 0.00 -0.69 5.26 1.08 -0.90 -2.58 115.11 117.23 1jyn h GLN 623 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1jyn h GLN 623 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1jyn h GLN 623 CO 0.02 0.24 0.00 1.04 -0.95 0.00 0.00 178.83 179.18 1jyn n GLN 624 N -3.91 3.08 -1.26 1.46 6.02 -0.36 -4.96 117.38 117.44 1jyn n GLN 624 Ca -0.02 -1.83 -0.34 0.00 -0.01 0.00 0.00 57.00 54.80 1jyn n GLN 624 Cb 0.32 -1.84 0.11 0.00 1.02 0.00 0.00 30.24 29.85 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 0.46 0.40 -0.07 -1.09 6.02 -0.98 -4.85 117.38 117.27 1jyn n GLN 625 Ca 0.16 0.20 0.12 0.00 -0.01 0.00 0.00 57.00 57.48 1jyn n GLN 625 Cb 0.73 -2.40 0.14 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.91 0.19 -4.58 1.08 3.72 -1.26 -4.87 117.46 108.83 1jyn n PHE 626 Ca 0.14 -0.10 -0.24 0.00 -0.05 0.00 0.00 57.45 57.20 1jyn n PHE 626 Cb 0.50 -0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.88 1jyn n PHE 626 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1jyn s PHE 627 N -1.79 1.38 0.10 1.38 0.08 -1.26 0.33 117.98 118.21 1jyn s PHE 627 Ca 0.32 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 56.97 1jyn s PHE 627 Cb 0.21 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 1jyn s PHE 627 CO 0.30 -0.22 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.49 1jyn s GLN 628 N 0.48 2.28 0.10 0.44 -1.52 -0.38 -4.93 119.66 116.14 1jyn s GLN 628 Ca -0.11 -0.96 0.04 0.00 -1.95 0.00 0.00 55.36 52.38 1jyn s GLN 628 Cb -0.14 -2.39 -0.04 0.00 -0.22 0.00 0.00 33.01 30.23 1jyn s GLN 628 CO 0.03 0.52 -0.11 -0.06 -0.25 0.00 0.00 175.29 175.42 1jyn s PHE 629 N -1.26 1.14 0.03 0.91 0.08 -1.26 -0.31 117.98 117.31 1jyn s PHE 629 Ca 0.23 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1jyn s PHE 629 Cb -0.11 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1jyn s PHE 629 CO 0.16 0.03 -0.06 1.03 -0.10 0.00 0.00 175.22 176.28 1jyn s ARG 630 N -2.76 0.45 -0.07 0.44 0.52 -0.33 -4.99 118.95 112.21 1jyn s ARG 630 Ca 0.06 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1jyn s ARG 630 Cb -0.03 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.33 1jyn s ARG 630 CO 0.01 0.00 -0.19 -1.17 0.02 0.00 0.00 175.30 173.97 1jyn s LEU 631 N -1.60 1.91 -0.32 2.53 2.96 -1.26 -1.15 118.68 121.75 1jyn s LEU 631 Ca -0.12 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1jyn s LEU 631 Cb -0.09 -1.09 0.10 0.00 0.50 0.00 0.00 46.19 45.61 1jyn s LEU 631 CO -0.01 0.13 0.12 -0.55 -1.32 0.00 0.00 176.35 174.73 1jyn s SER 632 N 0.27 3.83 0.93 3.68 0.15 0.19 -4.99 113.70 117.77 1jyn s SER 632 Ca -0.11 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 54.88 1jyn s SER 632 Cb -0.15 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 1jyn s SER 632 CO 0.05 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1jyn n GLY 633 N 4.80 2.03 0.42 9.45 0.00 -1.26 -1.97 105.19 118.65 1jyn n GLY 633 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 11.21 2.09 -3.83 1.61 -0.00 -1.26 -4.96 117.38 122.25 1jyn n GLN 634 Ca 0.00 -2.60 -0.36 0.00 -0.00 0.00 0.00 57.00 54.04 1jyn n GLN 634 Cb 0.00 -1.60 -0.11 0.00 -0.00 0.00 0.00 30.24 28.53 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 -2.67 4.66 -0.21 -0.39 2.01 -0.83 0.08 115.64 118.28 1jyn s THR 635 Ca 0.34 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 1jyn s THR 635 Cb 0.28 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1jyn s THR 635 CO 0.06 0.37 0.08 -0.63 -0.69 0.00 0.00 174.62 173.81 1jyn s ILE 636 N 1.15 4.75 -0.31 1.82 1.01 0.36 0.54 121.20 130.52 1jyn s ILE 636 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 1jyn s ILE 636 Cb -0.14 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 1jyn s ILE 636 CO 0.04 0.40 0.13 -0.70 0.00 0.00 0.00 174.94 174.81 1jyn s GLU 637 N 0.89 3.25 -0.20 2.79 2.12 -0.30 0.99 118.70 128.22 1jyn s GLU 637 Ca 0.04 -0.77 -0.07 0.00 0.36 0.00 0.00 54.97 54.53 1jyn s GLU 637 Cb -0.14 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1jyn s GLU 637 CO 0.03 -0.43 0.07 0.08 -0.54 0.00 0.00 175.26 174.46 1jyn s VAL 638 N 1.58 4.66 -0.10 3.70 1.01 0.42 -1.18 120.40 130.49 1jyn s VAL 638 Ca 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1jyn s VAL 638 Cb -0.17 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1jyn s VAL 638 CO 0.05 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 174.54 1jyn s THR 639 N 0.77 3.01 -0.02 3.92 2.01 0.58 -1.80 115.64 124.11 1jyn s THR 639 Ca 0.04 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 1jyn s THR 639 Cb -0.13 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1jyn s THR 639 CO 0.02 0.55 0.54 -0.55 -0.69 0.00 0.00 174.62 174.49 1jyn s SER 640 N 0.03 6.90 0.00 3.53 0.15 -0.12 -1.25 113.70 122.94 1jyn s SER 640 Ca -0.05 1.07 0.24 0.00 0.70 0.00 0.00 55.95 57.91 1jyn s SER 640 Cb -0.14 -2.33 0.32 0.00 -1.71 0.00 0.00 66.02 62.16 1jyn s SER 640 CO 0.04 0.12 1.34 -0.62 1.20 0.00 0.00 173.24 175.33 1jyn n GLU 641 N 2.73 2.40 -2.02 5.44 1.02 0.15 -2.26 120.64 128.09 1jyn n GLU 641 Ca -0.08 -2.07 -0.38 0.00 -0.02 0.00 0.00 57.16 54.61 1jyn n GLU 641 Cb 0.51 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.77 2.62 -0.16 -0.32 2.02 -1.26 -4.76 117.35 113.73 1jyn s TYR 642 Ca 0.33 1.44 0.16 0.00 -0.37 0.00 0.00 57.07 58.63 1jyn s TYR 642 Cb 0.21 -3.62 -0.24 0.00 -0.40 0.00 0.00 41.96 37.92 1jyn s TYR 642 CO 0.31 -2.21 0.22 1.28 -1.57 0.00 0.00 175.55 173.58 1jyn n LEU 643 N -0.57 0.39 0.00 -1.29 4.77 -1.26 -1.44 117.00 117.60 1jyn n LEU 643 Ca 0.08 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jyn n LEU 643 Cb 0.46 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1jyn n LEU 643 CO 0.52 0.49 -0.44 0.49 -1.33 0.00 0.00 177.39 177.12 1jyn n PHE 644 N -2.86 0.00 -4.00 -1.77 3.72 -1.26 -4.85 117.46 106.44 1jyn n PHE 644 Ca -0.29 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.84 1jyn n PHE 644 Cb 1.12 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.62 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 -1.85 3.20 0.52 -1.08 1.70 -1.26 -4.84 118.95 115.34 1jyn s ARG 645 Ca 0.00 -0.71 -0.05 0.00 -0.47 0.00 0.00 55.73 54.50 1jyn s ARG 645 Cb 0.00 -2.83 -0.02 0.00 -0.57 0.00 0.00 34.95 31.53 1jyn s ARG 645 CO 0.00 0.51 0.83 -1.58 -1.08 0.00 0.00 175.30 173.98 1jyn s HIS 646 N -1.73 3.44 -1.49 5.89 5.65 -1.26 -3.36 115.29 122.43 1jyn s HIS 646 Ca 0.33 0.74 -0.11 0.00 0.25 0.00 0.00 55.06 56.27 1jyn s HIS 646 Cb -0.11 -2.47 0.01 0.00 -1.18 0.00 0.00 32.58 28.84 1jyn s HIS 646 CO 0.26 -0.49 2.49 -1.13 -0.65 0.00 0.00 174.74 175.22 1jyn n SER 647 N -2.38 6.39 -0.55 9.88 3.41 -0.96 -4.65 113.62 124.75 1jyn n SER 647 Ca 0.02 -2.80 0.02 0.00 -0.26 0.00 0.00 58.87 55.85 1jyn n SER 647 Cb 0.56 -1.56 0.09 0.00 -0.26 0.00 0.00 64.21 63.03 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 4.35 1.47 -2.82 4.04 5.68 -1.26 -3.70 116.55 124.31 1jyn n ASP 648 Ca 0.62 -2.10 -0.11 0.00 -0.50 0.00 0.00 54.79 52.71 1jyn n ASP 648 Cb 0.31 -0.30 0.06 0.00 -1.14 0.00 0.00 41.12 40.05 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 0.08 -0.91 -3.69 -1.12 5.15 -1.26 -5.04 115.26 108.47 1jyn n ASN 649 Ca 0.06 -3.10 -0.14 0.00 -0.60 0.00 0.00 54.58 50.81 1jyn n ASN 649 Cb 0.29 0.73 -0.09 0.00 -0.53 0.00 0.00 39.78 40.19 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 -0.91 0.63 0.06 1.20 8.01 -1.24 -4.27 118.70 122.19 1jyn s GLU 650 Ca 0.27 0.64 0.02 0.00 0.01 0.00 0.00 54.97 55.91 1jyn s GLU 650 Cb 0.36 0.31 -0.03 0.00 -4.31 0.00 0.00 34.13 30.45 1jyn s GLU 650 CO -0.05 -0.09 -0.08 -0.48 0.01 0.00 0.00 175.26 174.56 1jyn s LEU 651 N 0.09 2.34 -0.21 1.80 0.05 0.25 -2.78 118.68 120.22 1jyn s LEU 651 Ca -0.01 -0.70 -0.11 0.00 0.05 0.00 0.00 54.13 53.35 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 -0.27 0.20 -0.22 -0.55 0.00 0.00 176.35 175.52 1jyn s LEU 652 N -2.06 4.17 -0.11 1.48 2.96 0.17 -1.10 118.68 124.18 1jyn s LEU 652 Ca -0.02 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 1jyn s LEU 652 Cb -0.05 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1jyn s LEU 652 CO -0.01 0.09 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.09 1jyn s HIS 653 N 0.80 3.10 0.04 5.38 3.76 0.62 0.02 115.29 129.01 1jyn s HIS 653 Ca 0.10 0.00 0.05 0.00 -0.15 0.00 0.00 55.06 55.07 1jyn s HIS 653 Cb -0.13 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 1jyn s HIS 653 CO 0.03 0.26 -0.15 1.67 -0.85 0.00 0.00 174.74 175.70 1jyn s TRP 654 N -0.36 1.28 -0.12 1.40 1.48 -0.09 -0.54 118.94 121.99 1jyn s TRP 654 Ca 0.07 -0.36 -0.11 0.00 -1.06 0.00 0.00 56.10 54.64 1jyn s TRP 654 Cb -0.12 -0.76 0.03 0.00 -1.16 0.00 0.00 33.47 31.46 1jyn s TRP 654 CO 0.02 0.04 0.32 1.41 -4.06 0.00 0.00 176.95 174.69 1jyn s MET 655 N -1.17 0.37 -0.08 3.25 -2.45 -0.40 -1.02 119.30 117.79 1jyn s MET 655 Ca 0.02 0.48 0.04 0.00 -1.25 0.00 0.00 55.69 54.97 1jyn s MET 655 Cb -0.08 0.15 -0.01 0.00 1.25 0.00 0.00 34.83 36.14 1jyn s MET 655 CO 0.01 -0.06 -0.19 0.08 1.05 0.00 0.00 175.02 175.91 1jyn s VAL 656 N 0.32 2.53 0.03 10.11 1.01 0.31 -0.67 120.40 134.05 1jyn s VAL 656 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1jyn s VAL 656 Cb -0.03 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1jyn s VAL 656 CO -0.01 0.56 -0.04 0.00 0.00 0.00 0.00 175.10 175.61 1jyn s ALA 657 N -0.05 0.24 -0.36 5.51 0.00 -0.83 -1.13 121.76 125.15 1jyn s ALA 657 Ca -0.05 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1jyn s ALA 657 Cb -0.14 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1jyn s ALA 657 CO 0.04 -0.14 0.16 -1.17 0.00 0.00 0.00 175.76 174.66 1jyn s LEU 658 N -1.55 4.52 -1.43 0.00 2.96 0.19 -1.29 118.68 122.07 1jyn s LEU 658 Ca -0.14 -1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 52.71 1jyn s LEU 658 Cb -0.09 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1jyn s LEU 658 CO -0.01 -0.35 0.32 0.47 -1.32 0.00 0.00 176.35 175.46 1jyn n ASP 659 N 4.91 -0.16 0.00 3.68 8.00 -0.55 0.51 116.55 132.94 1jyn n ASP 659 Ca -0.12 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1jyn n ASP 659 Cb 0.45 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.90 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 -2.14 2.69 3.63 0.44 0.00 -1.26 -4.84 105.19 103.71 1jyn n GLY 660 Ca -0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.26 4.10 0.25 1.61 1.02 0.18 -4.68 119.74 121.96 1jyn s LYS 661 Ca 0.00 0.38 -0.31 0.00 0.02 0.00 0.00 55.97 56.06 1jyn s LYS 661 Cb 0.00 -3.63 -0.13 0.00 -0.52 0.00 0.00 37.83 33.55 1jyn s LYS 661 CO 0.00 -0.31 1.48 -2.30 -0.92 0.00 0.00 175.35 173.29 1jyn n PRO 662 N 5.39 2.26 -0.01 -1.68 -0.02 -1.26 0.53 135.00 140.21 1jyn n PRO 662 Ca -0.04 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.23 1jyn n PRO 662 Cb 0.50 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 1jyn n PRO 662 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1jyn n LEU 663 N 2.23 2.25 -3.58 2.45 -0.00 -0.28 -4.83 117.00 115.24 1jyn n LEU 663 Ca 0.11 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.06 1jyn n LEU 663 Cb 0.33 -0.08 -0.02 0.00 -0.00 0.00 0.00 43.42 43.65 1jyn n LEU 663 CO 0.63 0.41 0.77 0.00 -0.00 0.00 0.00 177.39 179.20 1jyn s ALA 664 N -2.05 -1.85 -0.02 1.96 0.00 -1.08 -5.00 121.76 113.73 1jyn s ALA 664 Ca -0.03 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1jyn s ALA 664 Cb 0.01 0.39 0.10 0.00 0.00 0.00 0.00 23.12 23.62 1jyn s ALA 664 CO 0.05 -0.78 0.89 -1.54 0.00 0.00 0.00 175.76 174.38 1jyn s SER 665 N -2.58 -0.37 0.36 0.00 1.04 -1.26 -0.53 113.70 110.36 1jyn s SER 665 Ca 0.08 0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.43 1jyn s SER 665 Cb -0.01 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1jyn s SER 665 CO -0.05 -0.60 0.70 0.61 0.98 0.00 0.00 173.24 174.87 1jyn n GLY 666 N -0.16 1.20 2.99 7.32 0.00 -0.19 -4.98 105.19 111.38 1jyn n GLY 666 Ca -0.09 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.17 0.20 -0.01 1.61 2.02 -1.26 -0.92 118.70 118.18 1jyn s GLU 667 Ca 0.16 -0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.08 1jyn s GLU 667 Cb -0.04 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.28 1jyn s GLU 667 CO 0.12 -0.04 -0.02 0.08 0.02 0.00 0.00 175.26 175.43 1jyn s VAL 668 N -0.44 0.18 0.50 2.63 1.01 0.10 -4.96 120.40 119.43 1jyn s VAL 668 Ca -0.05 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 1jyn s VAL 668 Cb -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 1jyn s VAL 668 CO 0.00 0.08 1.14 -2.16 0.00 0.00 0.00 175.10 174.16 1jyn s PRO 669 N 0.31 3.57 -0.20 2.72 0.04 -1.26 0.43 135.00 140.60 1jyn s PRO 669 Ca -0.03 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 1jyn s PRO 669 Cb -0.05 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1jyn s PRO 669 CO -0.01 -0.68 0.11 -0.51 0.04 0.00 0.00 177.00 175.95 1jyn s LEU 670 N -3.43 4.04 -0.45 -3.56 1.43 -1.12 -4.72 118.68 110.88 1jyn s LEU 670 Ca 0.68 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1jyn s LEU 670 Cb -0.25 -2.04 0.19 0.00 0.03 0.00 0.00 46.19 44.11 1jyn s LEU 670 CO 0.30 0.15 0.40 -0.67 0.23 0.00 0.00 176.35 176.76 1jyn n ASP 671 N 3.69 0.15 -4.18 2.29 2.03 -1.26 -4.75 116.55 114.52 1jyn n ASP 671 Ca -0.16 -2.56 -0.26 0.00 0.52 0.00 0.00 54.79 52.33 1jyn n ASP 671 Cb 0.52 -0.59 -0.16 0.00 -0.72 0.00 0.00 41.12 40.17 1jyn n ASP 671 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1jyn s VAL 672 N -0.41 1.51 0.81 5.18 0.11 -1.26 -4.87 120.40 121.47 1jyn s VAL 672 Ca 0.33 -0.80 -0.12 0.00 -2.93 0.00 0.00 61.98 58.46 1jyn s VAL 672 Cb 0.06 -1.27 0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1jyn s VAL 672 CO -0.18 0.43 1.14 0.00 -3.33 0.00 0.00 175.10 173.17 1jyn s ALA 673 N -0.29 2.45 0.26 1.54 0.00 -1.26 -2.27 121.76 122.19 1jyn s ALA 673 Ca 0.03 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.19 1jyn s ALA 673 Cb -0.09 -3.01 -0.13 0.00 0.00 0.00 0.00 23.12 19.90 1jyn s ALA 673 CO 0.00 -1.71 1.51 -0.35 0.00 0.00 0.00 175.76 175.22 1jyn n PRO 674 N -3.37 2.38 -0.77 0.00 -0.04 -1.21 0.87 135.00 132.86 1jyn n PRO 674 Ca 0.07 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 1jyn n PRO 674 Cb 0.59 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1jyn n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jyn n GLN 675 N 2.22 -1.01 -2.38 0.54 1.13 -0.52 -4.94 117.38 112.42 1jyn n GLN 675 Ca 0.11 0.25 -0.26 0.00 -1.94 0.00 0.00 57.00 55.16 1jyn n GLN 675 Cb 0.34 -4.70 0.15 0.00 0.11 0.00 0.00 30.24 26.14 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 1.77 0.09 1.08 0.00 0.25 -4.70 107.32 103.81 1jyn s GLY 676 Ca 0.00 -1.69 0.04 0.00 0.00 0.00 0.00 44.72 43.07 1jyn s GLY 676 CO 0.00 -0.99 -0.11 0.54 0.00 0.00 0.00 173.10 172.54 1jyn s LYS 677 N -5.46 0.81 -0.01 2.90 1.02 -1.26 -0.94 119.74 116.79 1jyn s LYS 677 Ca 0.71 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1jyn s LYS 677 Cb -0.03 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1jyn s LYS 677 CO 0.48 0.10 -0.03 -1.14 -0.92 0.00 0.00 175.35 173.85 1jyn s GLN 678 N -2.41 0.33 -0.16 1.68 0.74 -0.74 -4.83 119.66 114.26 1jyn s GLN 678 Ca 0.02 -0.07 -0.07 0.00 0.05 0.00 0.00 55.36 55.29 1jyn s GLN 678 Cb -0.05 -0.38 -0.04 0.00 1.10 0.00 0.00 33.01 33.64 1jyn s GLN 678 CO 0.01 0.00 0.08 -0.51 -0.55 0.00 0.00 175.29 174.32 1jyn s LEU 679 N 0.31 3.98 -0.14 3.68 1.43 -1.26 -0.43 118.68 126.24 1jyn s LEU 679 Ca -0.03 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1jyn s LEU 679 Cb -0.06 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1jyn s LEU 679 CO -0.01 0.25 -0.07 -0.63 0.23 0.00 0.00 176.35 176.13 1jyn s ILE 680 N -0.08 1.09 -0.30 -0.59 1.01 0.28 -4.97 121.20 117.64 1jyn s ILE 680 Ca 0.08 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 1jyn s ILE 680 Cb -0.12 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1jyn s ILE 680 CO 0.01 0.26 0.59 -1.61 0.00 0.00 0.00 174.94 174.19 1jyn s GLU 681 N 1.66 3.91 0.47 2.79 8.01 -1.26 -0.49 118.70 133.79 1jyn s GLU 681 Ca 0.03 0.25 -0.21 0.00 0.01 0.00 0.00 54.97 55.05 1jyn s GLU 681 Cb -0.14 -3.72 -0.08 0.00 -4.31 0.00 0.00 34.13 25.88 1jyn s GLU 681 CO -0.08 -0.53 1.05 -0.51 0.01 0.00 0.00 175.26 175.20 1jyn s LEU 682 N 2.51 3.89 1.03 1.80 1.43 0.11 -4.99 118.68 124.46 1jyn s LEU 682 Ca 0.23 1.96 -0.21 0.00 -1.03 0.00 0.00 54.13 55.09 1jyn s LEU 682 Cb -0.15 -4.49 -0.07 0.00 0.03 0.00 0.00 46.19 41.51 1jyn s LEU 682 CO 0.11 -0.75 -0.69 -2.65 0.23 0.00 0.00 176.35 172.60 1jyn n PRO 683 N -0.82 -0.52 -1.80 1.29 -0.02 -1.26 -4.81 135.00 127.06 1jyn n PRO 683 Ca 0.09 -0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 1jyn n PRO 683 Cb 0.52 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.65 1jyn n PRO 683 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1jyn s GLU 684 N -2.65 4.16 -0.04 -0.52 2.12 -1.26 -4.93 118.70 115.57 1jyn s GLU 684 Ca 0.46 2.47 -0.13 0.00 0.36 0.00 0.00 54.97 58.13 1jyn s GLU 684 Cb -0.06 -3.87 -0.05 0.00 0.26 0.00 0.00 34.13 30.41 1jyn s GLU 684 CO 0.69 -0.86 0.33 -0.51 -0.54 0.00 0.00 175.26 174.38 1jyn s LEU 685 N 3.58 4.43 0.20 2.70 1.43 -1.26 -5.02 118.68 124.74 1jyn s LEU 685 Ca 0.81 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.41 1jyn s LEU 685 Cb -0.41 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.28 1jyn s LEU 685 CO 0.36 0.32 1.27 -2.16 0.23 0.00 0.00 176.35 176.38 1jyn s PRO 686 N -0.93 4.42 -0.16 1.29 0.04 -1.26 -5.06 135.00 133.35 1jyn s PRO 686 Ca 0.21 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1jyn s PRO 686 Cb -0.15 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 1jyn s PRO 686 CO 0.10 -0.19 -0.15 -0.65 0.04 0.00 0.00 177.00 176.15 1jyn s GLN 687 N -0.20 3.21 0.12 4.56 1.11 -1.26 -5.09 119.66 122.10 1jyn s GLN 687 Ca 0.55 -0.75 0.04 0.00 0.01 0.00 0.00 55.36 55.21 1jyn s GLN 687 Cb -0.35 -2.64 -0.04 0.00 -1.01 0.00 0.00 33.01 28.97 1jyn s GLN 687 CO 0.38 -0.02 0.12 -1.25 0.01 0.00 0.00 175.29 174.53 1jyn s PRO 688 N 0.89 2.92 0.09 2.91 0.04 -1.26 -4.99 135.00 135.60 1jyn s PRO 688 Ca -0.04 -0.77 -0.23 0.00 0.04 0.00 0.00 61.00 60.00 1jyn s PRO 688 Cb -0.15 -2.70 -0.15 0.00 0.04 0.00 0.00 34.50 31.54 1jyn s PRO 688 CO -0.01 0.52 1.72 0.93 0.04 0.00 0.00 177.00 180.20 1jyn h GLU 689 N 2.80 -0.00 -6.01 4.56 5.08 -2.04 -3.45 114.58 115.53 1jyn h GLU 689 Ca -0.47 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.10 1jyn h GLU 689 Cb 1.18 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.48 1jyn h GLU 689 CO 0.65 0.02 0.07 0.45 -1.00 0.00 0.00 179.01 179.20 1jyn n SER 690 N -5.08 0.04 -4.73 1.42 2.88 -1.26 -4.96 113.62 101.92 1jyn n SER 690 Ca -0.07 1.16 -0.35 0.00 -1.33 0.00 0.00 58.87 58.27 1jyn n SER 690 Cb 0.04 -0.93 0.07 0.00 -0.75 0.00 0.00 64.21 62.64 1jyn n SER 690 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jyn s ALA 691 N 0.01 2.30 0.00 -1.46 0.00 -1.26 -4.83 121.76 116.51 1jyn s ALA 691 Ca 0.91 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1jyn s ALA 691 Cb -1.26 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 18.37 1jyn s ALA 691 CO 0.57 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1jyn n GLY 692 N 0.55 2.24 3.60 0.00 0.00 0.41 -4.94 105.19 107.05 1jyn n GLY 692 Ca 0.14 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.77 3.76 0.06 1.61 2.00 -1.26 -1.03 119.66 123.03 1jyn s GLN 693 Ca 0.00 -0.40 -0.23 0.00 -2.00 0.00 0.00 55.36 52.73 1jyn s GLN 693 Cb 0.00 -3.07 -0.06 0.00 0.80 0.00 0.00 33.01 30.68 1jyn s GLN 693 CO 0.00 0.33 0.69 -0.51 -0.50 0.00 0.00 175.29 175.30 1jyn s LEU 694 N 0.18 4.48 -0.04 3.68 1.43 -0.15 -1.49 118.68 126.79 1jyn s LEU 694 Ca 0.02 1.38 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1jyn s LEU 694 Cb -0.13 -3.11 -0.00 0.00 0.03 0.00 0.00 46.19 42.99 1jyn s LEU 694 CO 0.01 0.12 -0.14 0.26 0.23 0.00 0.00 176.35 176.83 1jyn s TRP 695 N -0.48 1.44 -0.18 0.29 0.52 -0.41 0.06 118.94 120.18 1jyn s TRP 695 Ca 0.34 -0.39 -0.08 0.00 0.02 0.00 0.00 56.10 55.99 1jyn s TRP 695 Cb -0.20 -0.98 -0.04 0.00 -1.15 0.00 0.00 33.47 31.09 1jyn s TRP 695 CO 0.21 -0.14 0.09 -1.17 0.02 0.00 0.00 176.95 175.97 1jyn s LEU 696 N 0.08 4.01 -0.06 2.99 2.96 0.51 -1.97 118.68 127.19 1jyn s LEU 696 Ca -0.03 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1jyn s LEU 696 Cb -0.10 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1jyn s LEU 696 CO 0.01 0.20 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.15 1jyn s THR 697 N 0.25 1.69 0.15 3.68 2.01 0.16 -1.26 115.64 122.32 1jyn s THR 697 Ca 0.06 -0.84 0.10 0.00 0.31 0.00 0.00 61.69 61.32 1jyn s THR 697 Cb -0.12 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1jyn s THR 697 CO -0.01 0.48 -0.24 0.68 -0.69 0.00 0.00 174.62 174.84 1jyn s VAL 698 N 0.17 2.13 0.01 3.82 -7.23 -0.05 -1.28 120.40 117.97 1jyn s VAL 698 Ca -0.09 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1jyn s VAL 698 Cb -0.14 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1jyn s VAL 698 CO 0.05 -0.05 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.65 1jyn s ARG 699 N -2.30 0.10 -0.21 4.82 0.52 0.30 -1.69 118.95 120.49 1jyn s ARG 699 Ca 0.15 -0.19 -0.13 0.00 -0.52 0.00 0.00 55.73 55.04 1jyn s ARG 699 Cb -0.09 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 1jyn s ARG 699 CO 0.07 -0.01 0.28 0.08 0.02 0.00 0.00 175.30 175.73 1jyn s VAL 700 N -0.44 5.29 -0.02 3.52 1.01 -0.01 -0.27 120.40 129.47 1jyn s VAL 700 Ca -0.05 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1jyn s VAL 700 Cb -0.03 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1jyn s VAL 700 CO -0.00 0.32 -0.23 -0.69 0.00 0.00 0.00 175.10 174.49 1jyn s VAL 701 N 1.02 1.84 -0.38 2.92 1.01 -0.25 -1.24 120.40 125.33 1jyn s VAL 701 Ca 0.14 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1jyn s VAL 701 Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1jyn s VAL 701 CO 0.05 0.52 0.33 -1.10 0.00 0.00 0.00 175.10 174.91 1jyn s GLN 702 N -0.48 3.28 0.22 2.72 -0.21 -0.10 -0.58 119.66 124.50 1jyn s GLN 702 Ca 0.07 -0.71 -0.03 0.00 0.02 0.00 0.00 55.36 54.71 1jyn s GLN 702 Cb -0.10 -3.89 0.21 0.00 1.00 0.00 0.00 33.01 30.23 1jyn s GLN 702 CO -0.00 -0.64 1.62 -1.00 -2.12 0.00 0.00 175.29 173.15 1jyn h PRO 703 N 8.57 0.69 -5.78 2.91 0.13 -1.89 1.29 132.00 137.93 1jyn h PRO 703 Ca -0.29 -0.30 -0.64 0.00 -0.87 0.00 0.00 66.00 63.90 1jyn h PRO 703 Cb 1.13 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 1jyn h PRO 703 CO 0.71 0.90 -0.49 -0.80 -0.23 0.00 0.00 178.00 178.09 1jyn s ASN 704 N -6.79 6.38 0.75 1.44 0.02 -1.26 -3.85 114.94 111.63 1jyn s ASN 704 Ca -0.09 0.38 -0.11 0.00 -1.02 0.00 0.00 52.86 52.02 1jyn s ASN 704 Cb 0.13 -2.02 0.05 0.00 0.02 0.00 0.00 41.25 39.42 1jyn s ASN 704 CO 0.83 0.29 1.09 0.00 0.02 0.00 0.00 177.10 179.33 1jyn s ALA 705 N -1.27 2.33 0.08 0.60 0.00 -1.26 -4.46 121.76 117.78 1jyn s ALA 705 Ca 0.25 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1jyn s ALA 705 Cb -0.13 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1jyn s ALA 705 CO 0.16 -1.66 0.03 0.25 0.00 0.00 0.00 175.76 174.55 1jyn n THR 706 N -3.37 0.00 0.27 0.00 -2.24 0.80 -4.89 114.28 104.85 1jyn n THR 706 Ca 0.09 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1jyn n THR 706 Cb 0.53 0.19 0.66 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.15 1.00 0.00 6.98 0.00 -1.99 -3.20 119.26 123.20 1jyn h ALA 707 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jyn h ALA 707 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jyn h ALA 707 CO 0.10 0.02 0.00 -2.67 0.00 0.00 0.00 179.25 176.70 1jyn n TRP 708 N -3.11 0.00 -3.68 0.00 4.27 -1.26 -5.05 117.44 108.60 1jyn n TRP 708 Ca 0.01 -0.14 -0.11 0.00 -3.89 0.00 0.00 57.50 53.36 1jyn n TRP 708 Cb 0.32 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.19 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 -0.28 -0.21 0.38 -0.67 1.04 -1.21 -4.66 113.70 108.09 1jyn s SER 709 Ca 0.00 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 1jyn s SER 709 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 1jyn s SER 709 CO 0.00 -0.73 0.66 -1.61 0.98 0.00 0.00 173.24 172.53 1jyn s GLU 710 N -3.10 3.60 0.39 4.02 2.02 -1.26 -0.14 118.70 124.22 1jyn s GLU 710 Ca -0.01 0.07 -0.26 0.00 0.02 0.00 0.00 54.97 54.79 1jyn s GLU 710 Cb 0.01 -2.53 -0.11 0.00 0.10 0.00 0.00 34.13 31.60 1jyn s GLU 710 CO -0.07 0.03 1.19 0.00 0.02 0.00 0.00 175.26 176.44 1jyn n ALA 711 N -1.56 0.91 -0.07 5.21 0.00 -1.26 -1.43 120.51 122.30 1jyn n ALA 711 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1jyn n ALA 711 Cb 0.55 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1jyn n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyn n GLY 712 N 0.92 1.16 3.66 0.00 0.00 0.44 -4.94 105.19 106.44 1jyn n GLY 712 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 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 2.03 -3.53 1.61 -0.00 -0.51 -4.52 115.22 108.30 1jyn n HIS 713 Ca 0.00 0.50 -0.37 0.00 0.46 0.00 0.00 57.72 58.31 1jyn n HIS 713 Cb 0.00 -2.42 -0.08 0.00 -0.12 0.00 0.00 29.99 27.37 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 -0.35 5.29 -0.53 3.57 1.01 -1.26 -0.93 121.20 128.00 1jyn s ILE 714 Ca 0.65 0.49 0.15 0.00 0.00 0.00 0.00 60.65 61.93 1jyn s ILE 714 Cb -0.66 -3.62 -0.18 0.00 0.01 0.00 0.00 42.46 38.02 1jyn s ILE 714 CO 0.53 0.33 0.55 -1.54 0.00 0.00 0.00 174.94 174.81 1jyn n SER 715 N 4.08 0.90 -3.51 3.58 3.41 -0.37 -5.01 113.62 116.69 1jyn n SER 715 Ca -0.12 -0.64 -0.11 0.00 -0.26 0.00 0.00 58.87 57.74 1jyn n SER 715 Cb 0.52 1.16 -0.03 0.00 -0.26 0.00 0.00 64.21 65.59 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 -2.53 -1.82 0.27 7.33 0.00 -1.24 -4.69 121.76 119.09 1jyn s ALA 716 Ca 0.03 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 1jyn s ALA 716 Cb 0.11 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1jyn s ALA 716 CO 0.60 -0.55 0.57 1.67 0.00 0.00 0.00 175.76 178.05 1jyn s TRP 717 N -2.37 0.24 -0.11 0.00 -2.14 -1.26 -0.83 118.94 112.47 1jyn s TRP 717 Ca 0.00 -0.64 -0.30 0.00 2.66 0.00 0.00 56.10 57.82 1jyn s TRP 717 Cb -0.01 0.37 0.12 0.00 -3.10 0.00 0.00 33.47 30.85 1jyn s TRP 717 CO -0.04 -1.12 0.97 -1.14 -2.66 0.00 0.00 176.95 172.97 1jyn s GLN 718 N -3.79 0.66 0.08 3.25 2.00 -0.68 -4.99 119.66 116.18 1jyn s GLN 718 Ca 0.19 -0.03 0.02 0.00 -2.00 0.00 0.00 55.36 53.53 1jyn s GLN 718 Cb -0.02 0.31 -0.04 0.00 0.80 0.00 0.00 33.01 34.05 1jyn s GLN 718 CO 0.09 -0.24 -0.06 -0.65 -0.50 0.00 0.00 175.29 173.93 1jyn s GLN 719 N -1.94 0.72 0.00 1.67 -0.21 -1.26 -0.87 119.66 117.78 1jyn s GLN 719 Ca 0.01 -1.16 -0.04 0.00 0.02 0.00 0.00 55.36 54.19 1jyn s GLN 719 Cb -0.01 -0.18 -0.00 0.00 1.00 0.00 0.00 33.01 33.82 1jyn s GLN 719 CO -0.03 -0.01 0.08 -1.58 -2.12 0.00 0.00 175.29 171.63 1jyn s TRP 720 N -3.04 0.10 0.15 0.91 0.51 -0.39 -4.99 118.94 112.19 1jyn s TRP 720 Ca 0.05 -0.22 -0.30 0.00 -2.12 0.00 0.00 56.10 53.51 1jyn s TRP 720 Cb 0.01 -0.08 -0.07 0.00 -0.81 0.00 0.00 33.47 32.52 1jyn s TRP 720 CO -0.04 -0.23 1.07 1.03 -0.51 0.00 0.00 176.95 178.28 1jyn s ARG 721 N -1.23 4.60 0.00 4.98 0.52 -1.26 -0.36 118.95 126.19 1jyn s ARG 721 Ca -0.13 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.73 1jyn s ARG 721 Cb -0.08 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.08 1jyn s ARG 721 CO 0.01 0.08 0.00 1.28 0.02 0.00 0.00 175.30 176.68 1jyn n LEU 722 N 2.65 0.00 -4.76 2.53 4.77 0.11 -4.89 117.00 117.41 1jyn n LEU 722 Ca 0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.66 1jyn n LEU 722 Cb 0.47 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1jyn n LEU 722 CO 0.53 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.41 1jyn s ALA 723 N -2.78 2.63 -0.07 -1.18 0.00 -1.26 -4.66 121.76 114.42 1jyn s ALA 723 Ca 0.00 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.95 1jyn s ALA 723 Cb 0.00 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1jyn s ALA 723 CO 0.00 -1.00 -0.23 -2.00 0.00 0.00 0.00 175.76 172.53 1jyn s GLU 724 N -3.28 2.60 -0.39 0.00 2.12 -1.26 -0.97 118.70 117.51 1jyn s GLU 724 Ca 0.75 -0.83 -0.01 0.00 0.36 0.00 0.00 54.97 55.24 1jyn s GLU 724 Cb -0.28 -2.10 0.11 0.00 0.26 0.00 0.00 34.13 32.12 1jyn s GLU 724 CO 0.31 0.27 0.17 -0.80 -0.54 0.00 0.00 175.26 174.67 1jyn s ASN 725 N 0.10 5.15 0.34 -1.70 0.01 -0.20 -4.98 114.94 113.65 1jyn s ASN 725 Ca -0.10 -2.06 -0.28 0.00 -0.71 0.00 0.00 52.86 49.71 1jyn s ASN 725 Cb -0.15 -1.78 -0.10 0.00 0.41 0.00 0.00 41.25 39.63 1jyn s ASN 725 CO 0.06 -0.51 1.26 -0.76 -1.51 0.00 0.00 177.10 175.64 1jyn s LEU 726 N 1.09 4.41 0.04 0.60 1.43 -1.26 -0.45 118.68 124.53 1jyn s LEU 726 Ca 0.09 2.58 -0.30 0.00 -1.03 0.00 0.00 54.13 55.47 1jyn s LEU 726 Cb -0.22 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1jyn s LEU 726 CO -0.05 -0.51 1.08 -0.55 0.23 0.00 0.00 176.35 176.55 1jyn s SER 727 N -0.64 7.24 0.00 2.29 0.15 -1.26 -4.88 113.70 116.61 1jyn s SER 727 Ca 0.50 1.84 0.04 0.00 0.70 0.00 0.00 55.95 59.02 1jyn s SER 727 Cb -0.37 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.42 1jyn s SER 727 CO 0.49 -0.34 0.80 1.33 1.20 0.00 0.00 173.24 176.72 1jyn n VAL 728 N 3.80 0.37 -3.40 4.45 0.24 -1.26 -5.01 118.33 117.52 1jyn n VAL 728 Ca 0.07 -0.69 -0.38 0.00 -2.04 0.00 0.00 64.34 61.30 1jyn n VAL 728 Cb 0.49 0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.58 5.20 0.49 3.34 -4.23 -1.26 -5.04 115.64 113.57 1jyn s THR 729 Ca 0.06 0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 61.02 1jyn s THR 729 Cb 0.04 -3.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.10 1jyn s THR 729 CO 0.05 0.24 1.18 -0.76 -0.54 0.00 0.00 174.62 174.79 1jyn s LEU 730 N 1.41 3.92 0.27 4.79 1.02 -1.26 -5.02 118.68 123.81 1jyn s LEU 730 Ca 0.18 2.33 -0.30 0.00 0.02 0.00 0.00 54.13 56.37 1jyn s LEU 730 Cb -0.15 -4.34 -0.09 0.00 0.02 0.00 0.00 46.19 41.63 1jyn s LEU 730 CO 0.08 -1.09 1.10 -2.84 0.02 0.00 0.00 176.35 173.62 1jyn s PRO 731 N -2.88 4.64 0.92 1.29 0.02 -1.26 -4.99 135.00 132.74 1jyn s PRO 731 Ca 0.67 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 63.37 1jyn s PRO 731 Cb -0.29 -3.20 0.12 0.00 0.02 0.00 0.00 34.50 31.15 1jyn s PRO 731 CO 0.34 0.20 1.01 0.00 -0.33 0.00 0.00 177.00 178.22 1jyn n ALA 732 N 1.36 -1.11 -2.48 -1.55 0.00 -1.26 -4.93 120.51 110.54 1jyn n ALA 732 Ca -0.01 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1jyn n ALA 732 Cb 0.45 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 1jyn n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jyn s ALA 733 N -2.55 3.22 0.27 0.00 0.00 -1.26 -5.00 121.76 116.43 1jyn s ALA 733 Ca 0.65 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 1jyn s ALA 733 Cb -0.23 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 1jyn s ALA 733 CO 0.59 -0.15 1.17 -1.54 0.00 0.00 0.00 175.76 175.83 1jyn s SER 734 N 0.54 7.11 -0.77 0.00 1.04 -1.26 -4.95 113.70 115.41 1jyn s SER 734 Ca 0.50 2.36 -0.05 0.00 0.48 0.00 0.00 55.95 59.25 1jyn s SER 734 Cb -0.23 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.32 1jyn s SER 734 CO 0.29 -0.29 2.69 1.41 0.98 0.00 0.00 173.24 178.33 1jyn n HIS 735 N 1.40 1.88 0.00 5.02 8.25 -1.26 -4.85 115.22 125.65 1jyn n HIS 735 Ca 0.00 -2.26 0.00 0.00 -0.26 0.00 0.00 57.72 55.20 1jyn n HIS 735 Cb 0.44 -1.59 0.00 0.00 1.12 0.00 0.00 29.99 29.96 1jyn n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jyn n ALA 736 N 1.36 0.00 -2.97 -1.41 0.00 -1.26 -5.14 120.51 111.08 1jyn n ALA 736 Ca 0.54 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.80 1jyn n ALA 736 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 1jyn n ALA 736 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1jyn s ILE 737 N -2.00 0.58 0.53 0.00 -1.16 -1.26 -4.11 121.20 113.77 1jyn s ILE 737 Ca 0.00 -0.27 -0.19 0.00 -0.51 0.00 0.00 60.65 59.68 1jyn s ILE 737 Cb 0.00 -0.52 -0.07 0.00 0.61 0.00 0.00 42.46 42.49 1jyn s ILE 737 CO 0.00 0.18 1.07 -2.84 -2.81 0.00 0.00 174.94 170.54 1jyn s PRO 738 N 0.13 3.56 -0.03 3.50 0.02 -1.26 -4.94 135.00 135.98 1jyn s PRO 738 Ca -0.01 1.40 0.01 0.00 0.02 0.00 0.00 61.00 62.42 1jyn s PRO 738 Cb -0.06 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 1jyn s PRO 738 CO -0.00 -0.63 -0.04 -1.01 -0.33 0.00 0.00 177.00 174.98 1jyn s HIS 739 N -2.03 2.98 -0.08 6.54 3.76 -0.11 -4.75 115.29 121.60 1jyn s HIS 739 Ca 0.68 0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 55.62 1jyn s HIS 739 Cb -0.18 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 1jyn s HIS 739 CO 0.25 0.40 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.35 1jyn s LEU 740 N -1.22 3.42 -0.08 0.89 2.96 -1.26 -1.10 118.68 122.29 1jyn s LEU 740 Ca 0.16 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1jyn s LEU 740 Cb -0.11 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1jyn s LEU 740 CO 0.06 0.36 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.44 1jyn s THR 741 N -0.78 1.16 0.14 3.68 2.01 0.68 -4.99 115.64 117.54 1jyn s THR 741 Ca 0.12 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.74 1jyn s THR 741 Cb -0.11 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1jyn s THR 741 CO 0.02 0.37 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.28 1jyn s THR 742 N 0.83 2.96 0.23 -0.82 2.01 -1.26 -1.39 115.64 118.20 1jyn s THR 742 Ca -0.11 -1.58 -0.07 0.00 0.31 0.00 0.00 61.69 60.23 1jyn s THR 742 Cb -0.15 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1jyn s THR 742 CO 0.02 0.01 0.33 -0.94 -0.69 0.00 0.00 174.62 173.35 1jyn s SER 743 N -2.42 0.05 0.42 3.53 1.04 -0.77 -5.00 113.70 110.56 1jyn s SER 743 Ca 0.21 -1.14 0.13 0.00 0.48 0.00 0.00 55.95 55.63 1jyn s SER 743 Cb -0.10 0.50 1.00 0.00 0.10 0.00 0.00 66.02 67.53 1jyn s SER 743 CO 0.12 -1.02 1.96 -0.08 0.98 0.00 0.00 173.24 175.20 1jyn h GLU 744 N 2.40 0.44 0.00 4.02 4.81 -2.03 -2.92 114.58 121.30 1jyn h GLU 744 Ca -0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1jyn h GLU 744 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1jyn h GLU 744 CO 0.43 0.29 -1.22 -1.33 -0.73 0.00 0.00 179.01 176.45 1jyn n MET 745 N -4.48 0.22 -3.77 1.92 2.81 -1.26 -4.77 117.12 107.79 1jyn n MET 745 Ca 0.11 -0.05 -0.10 0.00 -1.81 0.00 0.00 57.70 55.86 1jyn n MET 745 Cb 0.40 -1.53 -0.05 0.00 -0.71 0.00 0.00 33.22 31.33 1jyn n MET 745 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1jyn s ASP 746 N -3.57 -0.12 -0.19 7.83 1.01 -1.10 -0.45 116.67 120.08 1jyn s ASP 746 Ca 0.03 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.77 1jyn s ASP 746 Cb 0.15 0.47 0.03 0.00 1.01 0.00 0.00 42.92 44.58 1jyn s ASP 746 CO 0.86 -0.89 -0.18 -0.36 0.21 0.00 0.00 175.17 174.80 1jyn s PHE 747 N -3.87 2.81 -0.11 4.23 0.08 0.50 -1.84 117.98 119.78 1jyn s PHE 747 Ca 0.08 -1.73 0.00 0.00 0.12 0.00 0.00 56.93 55.41 1jyn s PHE 747 Cb 0.02 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1jyn s PHE 747 CO -0.07 -0.81 -0.12 0.00 -0.10 0.00 0.00 175.22 174.13 1jyn s ILE 749 N -0.04 1.65 -0.03 0.00 1.09 -0.46 -0.23 121.20 123.18 1jyn s ILE 749 Ca -0.02 -0.90 0.03 0.00 -1.10 0.00 0.00 60.65 58.66 1jyn s ILE 749 Cb -0.14 -1.37 -0.00 0.00 -1.06 0.00 0.00 42.46 39.89 1jyn s ILE 749 CO 0.04 0.46 -0.12 -0.70 -0.10 0.00 0.00 174.94 174.51 1jyn s GLU 750 N -0.51 1.23 -0.23 2.79 2.12 -0.26 0.04 118.70 123.88 1jyn s GLU 750 Ca 0.08 -0.44 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 1jyn s GLU 750 Cb -0.08 -1.13 0.12 0.00 0.26 0.00 0.00 34.13 33.30 1jyn s GLU 750 CO -0.01 0.19 0.32 -1.17 -0.54 0.00 0.00 175.26 174.05 1jyn s LEU 751 N 0.02 -0.42 0.00 2.70 2.96 0.17 -0.94 118.68 123.17 1jyn s LEU 751 Ca -0.01 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1jyn s LEU 751 Cb -0.09 0.81 0.00 0.00 0.50 0.00 0.00 46.19 47.42 1jyn s LEU 751 CO 0.01 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1jyn n GLY 752 N 5.34 3.38 0.40 7.98 0.00 -1.26 0.66 105.19 121.70 1jyn n GLY 752 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 5.19 1.14 -4.43 1.61 6.94 -1.26 -4.84 115.26 119.60 1jyn n ASN 753 Ca 0.00 -2.02 -0.27 0.00 -0.02 0.00 0.00 54.58 52.27 1jyn n ASN 753 Cb 0.00 -0.16 -0.11 0.00 -2.36 0.00 0.00 39.78 37.14 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 -1.72 1.55 -0.00 -3.83 1.02 0.21 -1.24 119.74 115.73 1jyn s LYS 754 Ca 0.13 -1.54 -0.05 0.00 0.02 0.00 0.00 55.97 54.53 1jyn s LYS 754 Cb 0.07 -1.85 -0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1jyn s LYS 754 CO 0.08 0.39 0.10 1.03 -0.92 0.00 0.00 175.35 176.04 1jyn s ARG 755 N -2.76 0.38 0.01 1.68 0.52 -0.98 0.42 118.95 118.22 1jyn s ARG 755 Ca 0.22 -0.35 0.04 0.00 -0.52 0.00 0.00 55.73 55.12 1jyn s ARG 755 Cb -0.08 0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 1jyn s ARG 755 CO 0.10 -0.08 -0.12 -1.58 0.02 0.00 0.00 175.30 173.65 1jyn s TRP 756 N -1.14 1.02 -0.10 -0.53 0.51 0.11 -1.54 118.94 117.27 1jyn s TRP 756 Ca -0.12 -0.25 0.01 0.00 -2.12 0.00 0.00 56.10 53.61 1jyn s TRP 756 Cb -0.07 -0.64 0.02 0.00 -0.81 0.00 0.00 33.47 31.97 1jyn s TRP 756 CO 0.01 -0.00 -0.10 -1.14 -0.51 0.00 0.00 176.95 175.20 1jyn s GLN 757 N -0.61 1.70 -0.19 4.98 0.74 -0.01 -1.36 119.66 124.91 1jyn s GLN 757 Ca 0.02 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 55.04 1jyn s GLN 757 Cb -0.06 -1.58 -0.01 0.00 1.10 0.00 0.00 33.01 32.46 1jyn s GLN 757 CO 0.00 -0.14 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.49 1jyn s PHE 758 N 1.26 2.95 -0.18 1.67 0.40 0.41 -1.06 117.98 123.44 1jyn s PHE 758 Ca -0.03 -0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 55.26 1jyn s PHE 758 Cb -0.14 -2.04 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 1jyn s PHE 758 CO -0.04 -0.39 1.13 1.21 0.70 0.00 0.00 175.22 177.84 1jyn s ASN 759 N 1.09 7.05 0.29 1.36 3.84 -0.25 -0.37 114.94 127.96 1jyn s ASN 759 Ca 0.01 1.55 0.26 0.00 0.21 0.00 0.00 52.86 54.89 1jyn s ASN 759 Cb -0.15 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 38.85 1jyn s ASN 759 CO -0.00 -0.67 1.75 0.03 -2.79 0.00 0.00 177.10 175.42 1jyn h ARG 760 N 7.69 0.00 0.14 0.43 3.08 -1.06 0.79 114.38 125.45 1jyn h ARG 760 Ca -0.24 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.54 1jyn h ARG 760 Cb 1.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.15 1jyn h ARG 760 CO 0.95 0.00 -1.33 0.37 -1.07 0.00 0.00 179.97 178.89 1jyn h GLN 761 N 0.00 0.29 0.01 0.04 4.15 -1.87 -3.39 115.11 114.34 1jyn h GLN 761 Ca 0.00 -0.49 -0.28 0.00 0.77 0.00 0.00 58.65 58.65 1jyn h GLN 761 Cb 0.66 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1jyn h GLN 761 CO 0.00 1.24 -1.55 0.66 -1.93 0.00 0.00 178.83 177.25 1jyn h SER 762 N -0.25 0.04 0.00 -0.69 4.64 -1.92 -3.45 113.55 111.92 1jyn h SER 762 Ca -0.27 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1jyn h SER 762 Cb 1.80 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1jyn h SER 762 CO 0.10 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.73 1jyn n GLY 763 N 1.53 0.68 3.55 -0.77 0.00 0.28 -4.77 105.19 105.69 1jyn n GLY 763 Ca -0.13 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 2.42 -0.29 1.61 0.08 -1.23 -4.90 117.98 113.68 1jyn s PHE 764 Ca 0.00 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.32 1jyn s PHE 764 Cb 0.00 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 1jyn s PHE 764 CO 0.00 0.59 1.55 -1.17 -0.10 0.00 0.00 175.22 176.09 1jyn s LEU 765 N -3.62 3.77 -0.01 -0.37 2.96 -1.26 -1.09 118.68 119.06 1jyn s LEU 765 Ca 0.32 1.35 0.22 0.00 -0.22 0.00 0.00 54.13 55.81 1jyn s LEU 765 Cb 0.00 -3.53 -0.31 0.00 0.50 0.00 0.00 46.19 42.85 1jyn s LEU 765 CO 0.17 -1.33 0.55 -1.54 -1.32 0.00 0.00 176.35 172.88 1jyn n SER 766 N 8.67 0.14 -3.49 3.68 3.41 -0.22 -1.49 113.62 124.33 1jyn n SER 766 Ca 0.18 -0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1jyn n SER 766 Cb 0.46 1.81 -0.04 0.00 -0.26 0.00 0.00 64.21 66.19 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 -3.46 1.03 -0.01 4.33 2.00 -1.09 -4.50 119.66 117.96 1jyn s GLN 767 Ca -0.06 -0.10 -0.04 0.00 -2.00 0.00 0.00 55.36 53.15 1jyn s GLN 767 Cb 0.14 0.48 -0.00 0.00 0.80 0.00 0.00 33.01 34.43 1jyn s GLN 767 CO 0.90 -0.40 0.09 -1.64 -0.50 0.00 0.00 175.29 173.74 1jyn s MET 768 N -2.39 0.32 0.00 1.67 -1.94 -1.26 -0.83 119.30 114.87 1jyn s MET 768 Ca -0.03 -0.26 0.07 0.00 -1.71 0.00 0.00 55.69 53.76 1jyn s MET 768 Cb -0.01 0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.95 1jyn s MET 768 CO -0.02 -0.07 -0.20 -1.58 -0.01 0.00 0.00 175.02 173.14 1jyn s TRP 769 N -0.91 1.81 -0.14 -0.03 0.51 -0.59 0.38 118.94 119.96 1jyn s TRP 769 Ca -0.10 -0.35 0.00 0.00 -2.12 0.00 0.00 56.10 53.53 1jyn s TRP 769 Cb -0.06 -1.13 0.02 0.00 -0.81 0.00 0.00 33.47 31.49 1jyn s TRP 769 CO 0.01 0.01 -0.13 0.42 -0.51 0.00 0.00 176.95 176.74 1jyn s ILE 770 N -0.59 1.49 0.00 2.03 1.01 -0.64 -2.32 121.20 122.18 1jyn s ILE 770 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1jyn s ILE 770 Cb -0.08 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1jyn s ILE 770 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1jyn n GLY 771 N 4.71 2.36 0.66 6.18 0.00 -0.38 -0.13 105.19 118.60 1jyn n GLY 771 Ca -0.17 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.47 1jyn n GLY 771 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyn n ASP 772 N 3.51 1.83 -4.76 1.61 8.00 -1.26 -4.82 116.55 120.66 1jyn n ASP 772 Ca 0.00 -3.86 -0.36 0.00 0.71 0.00 0.00 54.79 51.28 1jyn n ASP 772 Cb 0.00 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 40.49 1jyn n ASP 772 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jyn s LYS 773 N -3.23 4.03 0.38 -1.24 3.01 0.82 -5.02 119.74 118.48 1jyn s LYS 773 Ca 0.39 -0.16 -0.28 0.00 -1.01 0.00 0.00 55.97 54.91 1jyn s LYS 773 Cb 0.37 -3.37 -0.10 0.00 -1.01 0.00 0.00 37.83 33.72 1jyn s LYS 773 CO -0.06 0.40 1.44 0.15 0.51 0.00 0.00 175.35 177.80 1jyn s LYS 774 N 0.05 4.10 -0.01 1.68 1.02 -1.26 -1.61 119.74 123.70 1jyn s LYS 774 Ca 0.11 2.48 0.13 0.00 0.02 0.00 0.00 55.97 58.70 1jyn s LYS 774 Cb -0.12 -2.94 -0.18 0.00 -0.52 0.00 0.00 37.83 34.07 1jyn s LYS 774 CO 0.00 -0.51 0.37 1.04 -0.92 0.00 0.00 175.35 175.33 1jyn n GLN 775 N 0.43 1.15 -4.37 1.68 1.13 0.16 -4.80 117.38 112.76 1jyn n GLN 775 Ca 0.01 -0.08 -0.28 0.00 -1.94 0.00 0.00 57.00 54.71 1jyn n GLN 775 Cb 0.40 -1.25 -0.13 0.00 0.11 0.00 0.00 30.24 29.38 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 -3.50 2.31 -0.18 1.08 1.43 -1.26 -0.35 118.68 118.21 1jyn s LEU 776 Ca -0.02 -0.73 0.15 0.00 -1.03 0.00 0.00 54.13 52.51 1jyn s LEU 776 Cb 0.09 -1.13 -0.22 0.00 0.03 0.00 0.00 46.19 44.96 1jyn s LEU 776 CO 0.54 0.15 0.05 0.18 0.23 0.00 0.00 176.35 177.50 1jyn n LEU 777 N 0.97 0.09 -4.04 1.79 4.77 0.11 -4.69 117.00 116.00 1jyn n LEU 777 Ca -0.18 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 1jyn n LEU 777 Cb 0.53 0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.91 1jyn n LEU 777 CO 0.23 0.45 -0.40 0.42 -1.33 0.00 0.00 177.39 176.76 1jyn s THR 778 N -2.43 0.46 0.96 -5.08 -4.23 -1.18 -4.94 115.64 99.21 1jyn s THR 778 Ca -0.09 -0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 59.37 1jyn s THR 778 Cb 0.05 -0.52 0.17 0.00 1.34 0.00 0.00 72.50 73.54 1jyn s THR 778 CO 0.72 -0.33 1.11 -2.84 -0.54 0.00 0.00 174.62 172.74 1jyn s PRO 779 N -1.37 0.71 -0.37 3.99 0.02 -1.26 -3.58 135.00 133.14 1jyn s PRO 779 Ca -0.09 1.27 -0.27 0.00 0.02 0.00 0.00 61.00 61.93 1jyn s PRO 779 Cb -0.09 -1.71 0.02 0.00 0.02 0.00 0.00 34.50 32.74 1jyn s PRO 779 CO 0.00 -2.75 1.01 -1.17 -0.33 0.00 0.00 177.00 173.76 1jyn s LEU 780 N -6.64 3.92 0.10 -5.54 2.96 -0.55 -4.48 118.68 108.44 1jyn s LEU 780 Ca 0.66 0.74 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 1jyn s LEU 780 Cb -0.22 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1jyn s LEU 780 CO 0.59 -0.93 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.49 1jyn s ARG 781 N 3.69 0.82 0.70 1.98 0.52 -0.65 -4.25 118.95 121.75 1jyn s ARG 781 Ca 0.42 -1.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.22 1jyn s ARG 781 Cb -0.11 -0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.09 1jyn s ARG 781 CO 0.19 0.01 1.17 -0.51 0.02 0.00 0.00 175.30 176.19 1jyn s ASP 782 N -2.82 4.58 -0.03 0.23 1.11 -1.26 -0.50 116.67 117.98 1jyn s ASP 782 Ca 0.09 2.24 -0.00 0.00 0.18 0.00 0.00 52.55 55.05 1jyn s ASP 782 Cb 0.02 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.47 1jyn s ASP 782 CO -0.03 -2.00 0.02 -1.58 1.18 0.00 0.00 175.17 172.77 1jyn s GLN 783 N -3.92 0.09 0.00 8.23 0.74 0.53 -4.76 119.66 120.56 1jyn s GLN 783 Ca 0.72 0.18 0.02 0.00 0.05 0.00 0.00 55.36 56.34 1jyn s GLN 783 Cb -0.26 -0.40 0.02 0.00 1.10 0.00 0.00 33.01 33.46 1jyn s GLN 783 CO 0.43 -0.19 0.60 1.19 -0.55 0.00 0.00 175.29 176.76 1jyn n PHE 784 N 4.42 0.01 -4.42 1.67 3.72 -1.26 -1.27 117.46 120.32 1jyn n PHE 784 Ca -0.22 -0.03 -0.21 0.00 -0.05 0.00 0.00 57.45 56.94 1jyn n PHE 784 Cb 0.50 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.22 1.17 0.05 4.37 -4.23 -1.26 -2.98 115.64 112.54 1jyn s THR 785 Ca 0.03 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1jyn s THR 785 Cb 0.02 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1jyn s THR 785 CO 0.03 -0.07 -0.05 0.00 -0.54 0.00 0.00 174.62 173.99 1jyn s ARG 786 N -3.88 0.56 -0.13 3.99 1.70 -1.26 -4.78 118.95 115.15 1jyn s ARG 786 Ca 0.35 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 54.34 1jyn s ARG 786 Cb 0.08 -0.03 -0.05 0.00 -0.57 0.00 0.00 34.95 34.38 1jyn s ARG 786 CO 0.14 -0.04 1.77 0.00 -1.08 0.00 0.00 175.30 176.09 1jyn s ALA 787 N -2.62 3.34 0.34 7.88 0.00 -1.26 -4.85 121.76 124.59 1jyn s ALA 787 Ca -0.02 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 1jyn s ALA 787 Cb -0.01 -3.85 -0.12 0.00 0.00 0.00 0.00 23.12 19.14 1jyn s ALA 787 CO -0.04 -1.86 1.46 -0.35 0.00 0.00 0.00 175.76 174.98 1jyn n PRO 788 N 7.65 2.51 -1.67 0.00 -0.04 -1.26 -1.11 135.00 141.09 1jyn n PRO 788 Ca 0.20 0.89 -0.30 0.00 -0.04 0.00 0.00 63.50 64.25 1jyn n PRO 788 Cb 0.44 -2.59 0.08 0.00 -0.04 0.00 0.00 33.50 31.38 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 -1.30 2.71 0.36 1.53 1.43 -1.26 -4.56 118.68 117.58 1jyn s LEU 789 Ca 0.57 1.25 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 1jyn s LEU 789 Cb -0.51 -3.92 0.79 0.00 0.03 0.00 0.00 46.19 42.57 1jyn s LEU 789 CO 0.59 -1.75 1.92 0.44 0.23 0.00 0.00 176.35 177.78 1jyn h ASP 790 N -0.94 0.65 1.02 2.29 3.32 -1.87 -0.44 116.42 120.45 1jyn h ASP 790 Ca -0.46 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1jyn h ASP 790 Cb 1.26 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1jyn h ASP 790 CO 0.61 0.38 -0.13 0.78 -1.72 0.00 0.00 179.24 179.15 1jyn h ASN 791 N 0.71 0.00 1.11 6.45 2.35 -1.85 0.40 115.58 124.75 1jyn h ASN 791 Ca 0.37 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.94 1jyn h ASN 791 Cb 0.49 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 1jyn h ASN 791 CO -0.15 0.13 -0.85 0.44 -1.65 0.00 0.00 177.43 175.36 1jyn h ASP 792 N 0.00 0.00 0.22 5.81 3.32 -1.40 -3.35 116.42 121.02 1jyn h ASP 792 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1jyn h ASP 792 Cb 0.68 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1jyn h ASP 792 CO 0.02 0.85 -1.79 0.40 -1.72 0.00 0.00 179.24 177.00 1jyn h ILE 793 N 0.00 0.88 0.00 0.35 2.04 -1.04 -0.17 117.51 119.57 1jyn h ILE 793 Ca -0.01 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1jyn h ILE 793 Cb 1.64 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 1jyn h ILE 793 CO 0.11 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.72 1jyn n GLY 794 N 1.86 3.16 0.44 5.37 0.00 0.10 -1.35 105.19 114.76 1jyn n GLY 794 Ca -0.25 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 0.14 -2.03 1.61 0.24 -1.26 -4.92 118.33 112.11 1jyn n VAL 795 Ca 0.00 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.63 1jyn n VAL 795 Cb 0.00 0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.64 6.52 0.04 -1.34 0.15 -0.46 -4.79 113.70 112.19 1jyn s SER 796 Ca 0.33 2.76 -0.01 0.00 0.70 0.00 0.00 55.95 59.72 1jyn s SER 796 Cb 0.17 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1jyn s SER 796 CO 0.27 -0.71 -0.01 -1.61 1.20 0.00 0.00 173.24 172.38 1jyn s GLU 797 N -2.01 0.52 0.36 5.44 2.02 -0.81 -4.91 118.70 119.31 1jyn s GLU 797 Ca 0.52 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.58 1jyn s GLU 797 Cb -0.41 0.18 0.67 0.00 0.10 0.00 0.00 34.13 34.68 1jyn s GLU 797 CO 0.54 -0.10 2.00 0.00 0.02 0.00 0.00 175.26 177.72 1jyn h ALA 798 N 3.67 1.59 -0.00 5.21 0.00 -2.00 -1.50 119.26 126.23 1jyn h ALA 798 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jyn h ALA 798 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jyn h ALA 798 CO 0.56 0.36 -0.03 -2.37 0.00 0.00 0.00 179.25 177.77 1jyn n THR 799 N -4.45 0.00 -2.89 0.00 5.66 -1.26 -4.42 114.28 106.91 1jyn n THR 799 Ca 0.07 -0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.01 1jyn n THR 799 Cb 0.08 -0.45 -0.01 0.00 -1.55 0.00 0.00 70.33 68.40 1jyn n THR 799 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1jyn s ARG 800 N -2.99 1.02 0.31 1.09 3.52 -0.60 -5.13 118.95 116.16 1jyn s ARG 800 Ca 0.14 -1.06 -0.29 0.00 -0.13 0.00 0.00 55.73 54.39 1jyn s ARG 800 Cb 0.19 -0.18 -0.10 0.00 -1.56 0.00 0.00 34.95 33.30 1jyn s ARG 800 CO 0.54 -1.31 1.31 0.42 -0.81 0.00 0.00 175.30 175.44 1jyn s ILE 801 N 0.93 2.79 -0.47 4.11 -1.09 -1.02 -1.92 121.20 124.53 1jyn s ILE 801 Ca 0.28 0.77 -0.10 0.00 -2.23 0.00 0.00 60.65 59.38 1jyn s ILE 801 Cb -0.01 -3.49 0.12 0.00 -1.58 0.00 0.00 42.46 37.50 1jyn s ILE 801 CO -0.07 0.17 0.35 -0.62 -1.23 0.00 0.00 174.94 173.55 1jyn s ASP 802 N -0.37 5.74 0.40 3.58 2.15 -1.26 -4.89 116.67 122.03 1jyn s ASP 802 Ca 0.50 -1.85 0.27 0.00 0.43 0.00 0.00 52.55 51.90 1jyn s ASP 802 Cb -0.39 -2.03 1.44 0.00 -0.30 0.00 0.00 42.92 41.64 1jyn s ASP 802 CO 0.50 -0.69 1.83 1.55 -0.17 0.00 0.00 175.17 178.19 1jyn h PRO 803 N 8.49 0.00 0.00 4.34 0.13 -1.95 -1.75 132.00 141.25 1jyn h PRO 803 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1jyn h PRO 803 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jyn h PRO 803 CO 0.87 0.00 -0.56 -0.97 -0.23 0.00 0.00 178.00 177.11 1jyn h ASN 804 N 0.00 0.00 -4.02 1.44 -1.24 -1.95 -3.37 115.58 106.44 1jyn h ASN 804 Ca 0.00 -0.03 -0.53 0.00 0.71 0.00 0.00 56.30 56.45 1jyn h ASN 804 Cb 0.06 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.21 1jyn h ASN 804 CO 0.00 0.02 0.56 0.00 -1.29 0.00 0.00 177.43 176.71 1jyn s ALA 805 N -3.27 2.93 0.18 1.57 0.00 -0.66 -4.75 121.76 117.75 1jyn s ALA 805 Ca 0.04 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 1jyn s ALA 805 Cb 0.09 -3.48 0.14 0.00 0.00 0.00 0.00 23.12 19.87 1jyn s ALA 805 CO 0.73 -1.02 1.67 -1.49 0.00 0.00 0.00 175.76 175.64 1jyn h TRP 806 N 1.82 -0.17 -0.89 0.00 4.06 -1.83 -0.48 115.95 118.47 1jyn h TRP 806 Ca -0.50 0.04 0.12 0.00 2.06 0.00 0.00 58.89 60.61 1jyn h TRP 806 Cb 1.27 0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 29.51 1jyn h TRP 806 CO 0.50 -0.17 0.57 -0.24 -3.56 0.00 0.00 178.44 175.54 1jyn h VAL 807 N 0.03 0.89 0.01 1.49 3.04 -1.37 -0.24 116.25 120.10 1jyn h VAL 807 Ca 0.23 -0.26 -0.20 0.00 -1.01 0.00 0.00 66.70 65.45 1jyn h VAL 807 Cb 0.34 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.66 1jyn h VAL 807 CO -0.45 0.14 -0.92 -0.33 -1.01 0.00 0.00 177.57 175.01 1jyn h GLU 808 N 0.76 0.11 -0.30 4.17 4.39 -1.55 0.12 114.58 122.29 1jyn h GLU 808 Ca 0.43 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.91 1jyn h GLU 808 Cb 0.59 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1jyn h GLU 808 CO -0.19 0.95 -0.12 0.00 -1.16 0.00 0.00 179.01 178.48 1jyn h ARG 809 N 0.05 0.61 -0.24 2.33 3.08 0.06 -0.10 114.38 120.17 1jyn h ARG 809 Ca -0.04 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1jyn h ARG 809 Cb 1.58 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.60 1jyn h ARG 809 CO 0.13 0.83 0.09 -1.49 -1.07 0.00 0.00 179.97 178.47 1jyn h TRP 810 N 0.36 0.37 0.11 3.04 6.55 -1.03 -1.52 115.95 123.84 1jyn h TRP 810 Ca 0.07 -0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.90 1jyn h TRP 810 Cb 0.64 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 28.79 1jyn h TRP 810 CO 0.06 0.40 -0.29 0.87 -1.05 0.00 0.00 178.44 178.42 1jyn h LYS 811 N 0.23 -0.49 -0.11 0.49 1.57 -0.65 -1.68 116.57 115.95 1jyn h LYS 811 Ca 0.08 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1jyn h LYS 811 Cb 0.19 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1jyn h LYS 811 CO -0.01 -0.33 -0.03 0.00 -0.57 0.00 0.00 179.45 178.52 1jyn h ALA 812 N 0.19 1.77 0.00 3.86 0.00 -0.96 -0.10 119.26 124.02 1jyn h ALA 812 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jyn h ALA 812 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jyn h ALA 812 CO -0.17 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1jyn n ALA 813 N -2.51 2.11 -0.58 0.00 0.00 -0.58 -4.92 120.51 114.04 1jyn n ALA 813 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1jyn n ALA 813 Cb 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 0.98 0.70 0.37 0.00 0.00 -0.05 -4.84 105.19 102.35 1jyn n GLY 814 Ca 0.05 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 1.09 0.00 1.61 3.86 -1.53 0.14 115.15 120.32 1jyn h HIS 815 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1jyn h HIS 815 Cb 0.00 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.12 1jyn h HIS 815 CO 0.00 0.48 -0.09 0.66 0.86 0.00 0.00 177.93 179.84 1jyn n TYR 816 N -4.56 0.51 0.08 2.45 4.01 -1.26 -3.65 117.16 114.73 1jyn n TYR 816 Ca 0.17 0.15 0.02 0.00 -0.16 0.00 0.00 57.90 58.08 1jyn n TYR 816 Cb 0.30 -0.71 0.03 0.00 -0.31 0.00 0.00 39.34 38.65 1jyn n TYR 816 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jyn n GLN 817 N -1.93 0.93 -1.82 -0.72 10.64 0.24 -5.05 117.38 119.67 1jyn n GLN 817 Ca 0.06 -1.13 -0.41 0.00 -1.83 0.00 0.00 57.00 53.68 1jyn n GLN 817 Cb 0.39 -1.09 -0.01 0.00 -0.86 0.00 0.00 30.24 28.68 1jyn n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jyn s ALA 818 N -0.61 3.61 -0.15 2.61 0.00 0.23 -5.01 121.76 122.44 1jyn s ALA 818 Ca 0.06 1.55 -0.05 0.00 0.00 0.00 0.00 51.96 53.52 1jyn s ALA 818 Cb 0.04 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1jyn s ALA 818 CO 0.06 -1.01 0.03 -1.21 0.00 0.00 0.00 175.76 173.62 1jyn s GLU 819 N -1.64 3.67 0.11 0.00 0.41 -1.24 -4.88 118.70 115.13 1jyn s GLU 819 Ca 0.55 -0.40 -0.31 0.00 -0.41 0.00 0.00 54.97 54.41 1jyn s GLU 819 Cb -0.46 -3.04 -0.09 0.00 -1.78 0.00 0.00 34.13 28.76 1jyn s GLU 819 CO 0.58 0.37 1.56 0.00 -0.49 0.00 0.00 175.26 177.29 1jyn s ALA 820 N 0.05 3.70 -0.16 5.21 0.00 -1.26 -3.54 121.76 125.75 1jyn s ALA 820 Ca 0.03 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 1jyn s ALA 820 Cb -0.13 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1jyn s ALA 820 CO 0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 175.76 174.87 1jyn s ALA 821 N 1.79 3.05 0.03 0.00 0.00 0.24 -4.92 121.76 121.95 1jyn s ALA 821 Ca 0.70 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1jyn s ALA 821 Cb -0.40 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 1jyn s ALA 821 CO 0.31 0.16 1.21 -1.17 0.00 0.00 0.00 175.76 176.27 1jyn s LEU 822 N 0.45 4.34 -0.13 0.00 2.96 -1.26 -0.76 118.68 124.27 1jyn s LEU 822 Ca -0.02 1.97 0.12 0.00 -0.22 0.00 0.00 54.13 55.98 1jyn s LEU 822 Cb -0.14 -3.57 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 1jyn s LEU 822 CO 0.02 -0.51 0.05 0.18 -1.32 0.00 0.00 176.35 174.77 1jyn n LEU 823 N 4.35 0.00 -3.58 -0.68 4.77 0.18 -4.93 117.00 117.10 1jyn n LEU 823 Ca 0.10 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1jyn n LEU 823 Cb 0.46 0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 1jyn n LEU 823 CO 0.56 0.33 0.46 -1.58 -1.33 0.00 0.00 177.39 175.83 1jyn s GLN 824 N -2.35 0.90 -0.26 3.23 0.74 -0.89 -4.93 119.66 116.11 1jyn s GLN 824 Ca -0.07 0.65 -0.02 0.00 0.05 0.00 0.00 55.36 55.97 1jyn s GLN 824 Cb 0.04 0.43 0.15 0.00 1.10 0.00 0.00 33.01 34.73 1jyn s GLN 824 CO 0.56 -0.19 0.44 0.00 -0.55 0.00 0.00 175.29 175.55 1jyn s THR 826 N 2.64 0.96 -0.01 0.00 -4.23 0.25 -4.97 115.64 110.28 1jyn s THR 826 Ca 0.15 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1jyn s THR 826 Cb -0.15 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.50 1jyn s THR 826 CO -0.17 -0.44 -0.05 0.00 -0.54 0.00 0.00 174.62 173.42 1jyn s ALA 827 N -3.47 0.43 0.01 3.99 0.00 -1.26 -0.57 121.76 120.90 1jyn s ALA 827 Ca 0.25 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1jyn s ALA 827 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1jyn s ALA 827 CO 0.06 0.09 -0.06 -0.51 0.00 0.00 0.00 175.76 175.34 1jyn s ASP 828 N 0.01 0.68 -0.33 0.00 1.01 0.07 -4.97 116.67 113.13 1jyn s ASP 828 Ca 0.00 -0.22 -0.13 0.00 0.71 0.00 0.00 52.55 52.92 1jyn s ASP 828 Cb -0.03 -0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 1jyn s ASP 828 CO -0.00 -0.01 0.23 -0.89 0.21 0.00 0.00 175.17 174.71 1jyn s THR 829 N -0.48 5.27 0.06 -1.27 2.01 -1.26 0.46 115.64 120.43 1jyn s THR 829 Ca -0.01 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1jyn s THR 829 Cb -0.04 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1jyn s THR 829 CO -0.00 0.02 0.08 0.18 -0.69 0.00 0.00 174.62 174.20 1jyn n LEU 830 N 5.10 0.00 0.06 4.42 4.77 0.25 -4.99 117.00 126.61 1jyn n LEU 830 Ca -0.13 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1jyn n LEU 830 Cb 0.50 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1jyn n LEU 830 CO 0.36 -0.53 0.72 0.00 -1.33 0.00 0.00 177.39 176.61 1jyn h ALA 831 N 0.03 -0.28 0.00 -1.18 0.00 -2.02 -3.32 119.26 112.48 1jyn h ALA 831 Ca -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jyn h ALA 831 Cb 0.11 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1jyn h ALA 831 CO 0.03 -0.71 -0.47 -0.40 0.00 0.00 0.00 179.25 177.70 1jyn n ASP 832 N -5.34 1.27 -3.79 0.00 5.75 -1.26 -5.02 116.55 108.15 1jyn n ASP 832 Ca -0.05 -2.74 -0.06 0.00 -0.01 0.00 0.00 54.79 51.94 1jyn n ASP 832 Cb 0.25 -0.36 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.55 -1.35 -0.07 2.12 0.00 -1.25 -1.61 121.76 118.04 1jyn s ALA 833 Ca 0.25 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1jyn s ALA 833 Cb 0.25 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 1jyn s ALA 833 CO -0.04 -1.04 -0.18 0.08 0.00 0.00 0.00 175.76 174.58 1jyn s VAL 834 N -3.64 2.71 -0.15 0.00 1.01 0.11 0.86 120.40 121.29 1jyn s VAL 834 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1jyn s VAL 834 Cb -0.04 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 1jyn s VAL 834 CO 0.06 0.57 -0.15 -0.22 0.00 0.00 0.00 175.10 175.35 1jyn s LEU 835 N -0.27 2.51 -0.12 3.92 2.96 0.17 -1.49 118.68 126.36 1jyn s LEU 835 Ca 0.01 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1jyn s LEU 835 Cb -0.13 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1jyn s LEU 835 CO 0.03 0.10 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.43 1jyn s ILE 836 N 0.75 3.43 -0.08 6.68 -1.09 -0.01 -0.75 121.20 130.13 1jyn s ILE 836 Ca -0.06 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 57.87 1jyn s ILE 836 Cb -0.15 -2.45 -0.00 0.00 -1.58 0.00 0.00 42.46 38.27 1jyn s ILE 836 CO 0.01 0.53 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.12 1jyn s THR 837 N 0.07 2.02 0.13 2.92 2.01 0.27 0.09 115.64 123.15 1jyn s THR 837 Ca -0.03 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1jyn s THR 837 Cb -0.14 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1jyn s THR 837 CO 0.04 0.56 -0.05 0.42 -0.69 0.00 0.00 174.62 174.89 1jyn s THR 838 N 0.12 0.78 -0.10 -0.82 -4.23 -0.29 -0.58 115.64 110.52 1jyn s THR 838 Ca -0.12 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.33 1jyn s THR 838 Cb -0.16 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.84 1jyn s THR 838 CO 0.06 -0.71 0.27 0.00 -0.54 0.00 0.00 174.62 173.70 1jyn s ALA 839 N -3.58 -0.65 0.03 3.99 0.00 -0.79 -0.71 121.76 120.06 1jyn s ALA 839 Ca 0.17 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1jyn s ALA 839 Cb 0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1jyn s ALA 839 CO -0.01 -0.14 -0.04 -1.01 0.00 0.00 0.00 175.76 174.57 1jyn s HIS 840 N 0.35 0.39 0.00 0.00 3.76 0.05 0.48 115.29 120.32 1jyn s HIS 840 Ca -0.02 -0.68 0.08 0.00 -0.15 0.00 0.00 55.06 54.29 1jyn s HIS 840 Cb -0.03 -0.27 -0.02 0.00 1.11 0.00 0.00 32.58 33.36 1jyn s HIS 840 CO -0.01 -0.23 -0.24 0.00 -0.85 0.00 0.00 174.74 173.41 1jyn s ALA 841 N -2.16 2.02 -0.20 -1.40 0.00 0.06 -0.79 121.76 119.28 1jyn s ALA 841 Ca -0.08 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1jyn s ALA 841 Cb -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1jyn s ALA 841 CO -0.03 0.49 -0.02 -1.58 0.00 0.00 0.00 175.76 174.61 1jyn s TRP 842 N -0.64 3.01 0.19 0.00 0.51 -0.37 0.81 118.94 122.46 1jyn s TRP 842 Ca 0.10 -0.53 0.03 0.00 -2.12 0.00 0.00 56.10 53.57 1jyn s TRP 842 Cb -0.09 -2.06 -0.05 0.00 -0.81 0.00 0.00 33.47 30.46 1jyn s TRP 842 CO 0.00 -0.27 -0.01 -0.65 -0.51 0.00 0.00 176.95 175.51 1jyn s GLN 843 N 0.98 1.20 -0.16 4.98 -0.21 -1.23 -0.05 119.66 125.16 1jyn s GLN 843 Ca 0.01 -1.58 -0.05 0.00 0.02 0.00 0.00 55.36 53.76 1jyn s GLN 843 Cb -0.14 -0.43 0.08 0.00 1.00 0.00 0.00 33.01 33.51 1jyn s GLN 843 CO 0.01 -0.10 0.28 -1.58 -2.12 0.00 0.00 175.29 171.78 1jyn s HIS 844 N -3.54 -0.47 -1.51 0.91 2.46 0.15 -3.67 115.29 109.62 1jyn s HIS 844 Ca 0.25 0.86 -0.12 0.00 0.47 0.00 0.00 55.06 56.52 1jyn s HIS 844 Cb 0.06 -0.06 0.08 0.00 -0.13 0.00 0.00 32.58 32.52 1jyn s HIS 844 CO 0.06 -0.46 0.95 1.04 -2.47 0.00 0.00 174.74 173.86 1jyn n GLN 845 N 5.35 -5.41 0.00 2.88 6.02 -1.26 -0.76 117.38 124.20 1jyn n GLN 845 Ca -0.06 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1jyn n GLN 845 Cb 0.50 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.32 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 -1.68 2.04 3.77 1.08 0.00 -1.26 -5.03 105.19 104.11 1jyn n GLY 846 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.54 3.90 -0.37 1.61 2.47 0.06 -5.04 119.74 121.83 1jyn s LYS 847 Ca 0.00 -0.20 -0.20 0.00 -1.56 0.00 0.00 55.97 54.00 1jyn s LYS 847 Cb 0.00 -3.32 0.01 0.00 -1.46 0.00 0.00 37.83 33.06 1jyn s LYS 847 CO 0.00 0.47 0.64 0.99 0.16 0.00 0.00 175.35 177.61 1jyn s THR 848 N -0.13 4.88 -0.18 3.43 2.01 -1.26 0.30 115.64 124.68 1jyn s THR 848 Ca 0.10 0.52 -0.24 0.00 0.31 0.00 0.00 61.69 62.38 1jyn s THR 848 Cb -0.11 -4.10 -0.22 0.00 0.01 0.00 0.00 72.50 68.08 1jyn s THR 848 CO 0.00 -0.36 0.40 -0.07 -0.69 0.00 0.00 174.62 173.91 1jyn h LEU 849 N 9.43 0.01 -7.98 4.42 3.38 -0.83 -3.42 115.31 120.33 1jyn h LEU 849 Ca -0.26 -0.68 -0.18 0.00 0.09 0.00 0.00 57.88 56.85 1jyn h LEU 849 Cb 1.11 -0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.64 1jyn h LEU 849 CO 0.84 1.34 -0.70 -0.36 0.09 0.00 0.00 178.44 179.65 1jyn s PHE 850 N -2.32 0.27 -0.05 1.13 0.08 -1.13 -0.99 117.98 114.96 1jyn s PHE 850 Ca -0.25 -0.49 0.05 0.00 0.12 0.00 0.00 56.93 56.35 1jyn s PHE 850 Cb 0.03 -0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.28 1jyn s PHE 850 CO 0.63 -0.17 -0.20 0.42 -0.10 0.00 0.00 175.22 175.80 1jyn s ILE 851 N -1.35 1.67 -0.18 0.64 1.01 0.84 -1.23 121.20 122.60 1jyn s ILE 851 Ca -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1jyn s ILE 851 Cb -0.09 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1jyn s ILE 851 CO -0.01 0.47 -0.19 -0.55 0.00 0.00 0.00 174.94 174.67 1jyn s SER 852 N 0.03 3.21 -0.13 3.58 0.15 0.03 -0.66 113.70 119.91 1jyn s SER 852 Ca -0.06 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 55.90 1jyn s SER 852 Cb -0.13 -1.46 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1jyn s SER 852 CO 0.03 -0.02 -0.17 -0.13 1.20 0.00 0.00 173.24 174.15 1jyn s ARG 853 N 1.29 3.24 0.16 5.44 0.52 -0.16 -0.77 118.95 128.67 1jyn s ARG 853 Ca 0.04 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.49 1jyn s ARG 853 Cb -0.14 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1jyn s ARG 853 CO -0.12 0.14 0.06 0.15 0.02 0.00 0.00 175.30 175.54 1jyn s LYS 854 N 0.50 1.06 0.04 3.54 1.02 0.12 -1.15 119.74 124.86 1jyn s LYS 854 Ca -0.11 -1.52 0.04 0.00 0.02 0.00 0.00 55.97 54.39 1jyn s LYS 854 Cb -0.16 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.20 1jyn s LYS 854 CO 0.05 -0.25 -0.11 0.95 -0.92 0.00 0.00 175.35 175.07 1jyn s THR 855 N -3.94 0.83 -0.16 2.17 -4.23 -0.85 -1.13 115.64 108.32 1jyn s THR 855 Ca 0.28 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1jyn s THR 855 Cb 0.07 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 73.14 1jyn s THR 855 CO 0.05 -0.12 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.53 1jyn s TYR 856 N -0.94 2.47 -0.24 3.99 1.51 0.11 -0.91 117.35 123.34 1jyn s TYR 856 Ca -0.02 -1.42 -0.01 0.00 -1.01 0.00 0.00 57.07 54.60 1jyn s TYR 856 Cb -0.08 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1jyn s TYR 856 CO 0.01 -0.73 -0.08 0.50 -1.11 0.00 0.00 175.55 174.14 1jyn s ARG 857 N 1.37 2.89 -0.28 -0.62 3.52 0.72 -0.83 118.95 125.73 1jyn s ARG 857 Ca 0.05 -0.94 -0.07 0.00 -0.13 0.00 0.00 55.73 54.64 1jyn s ARG 857 Cb -0.13 -2.94 -0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1jyn s ARG 857 CO -0.12 -0.36 0.07 0.42 -0.81 0.00 0.00 175.30 174.50 1jyn s ILE 858 N 1.33 4.05 0.56 4.11 1.01 -0.56 -0.37 121.20 131.33 1jyn s ILE 858 Ca 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1jyn s ILE 858 Cb -0.16 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.35 1jyn s ILE 858 CO -0.05 0.18 0.56 1.51 0.00 0.00 0.00 174.94 177.13 1jyn s ASP 859 N 1.54 4.82 0.00 3.58 1.47 -1.06 -0.72 116.67 126.30 1jyn s ASP 859 Ca 0.04 -1.09 0.10 0.00 1.18 0.00 0.00 52.55 52.78 1jyn s ASP 859 Cb -0.16 0.37 0.55 0.00 -0.34 0.00 0.00 42.92 43.34 1jyn s ASP 859 CO 0.03 -1.20 1.16 0.61 0.68 0.00 0.00 175.17 176.45 1jyn n GLY 860 N -1.96 -0.53 0.50 2.12 0.00 -0.63 -0.84 105.19 103.86 1jyn n GLY 860 Ca 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1jyn n GLY 860 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jyn n SER 861 N -1.20 1.73 0.00 1.61 3.41 -1.26 -4.65 113.62 113.27 1jyn n SER 861 Ca 0.06 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1jyn n SER 861 Cb 0.07 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.30 0.73 3.86 5.00 0.00 -0.02 -5.03 105.19 111.03 1jyn n GLY 862 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.40 3.84 -0.26 1.61 -0.21 -1.26 -4.73 119.66 118.26 1jyn s GLN 863 Ca 0.00 0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.67 1jyn s GLN 863 Cb 0.00 -2.85 0.03 0.00 1.00 0.00 0.00 33.01 31.19 1jyn s GLN 863 CO 0.00 0.45 -0.06 1.41 -2.12 0.00 0.00 175.29 174.97 1jyn s MET 864 N -2.27 2.69 -0.23 2.91 -2.45 -0.46 -2.57 119.30 116.93 1jyn s MET 864 Ca 0.40 -1.07 -0.18 0.00 -1.25 0.00 0.00 55.69 53.59 1jyn s MET 864 Cb -0.13 -3.01 -0.03 0.00 1.25 0.00 0.00 34.83 32.91 1jyn s MET 864 CO 0.20 -0.46 0.49 0.00 1.05 0.00 0.00 175.02 176.30 1jyn s ALA 865 N 1.29 3.56 -0.16 4.11 0.00 0.50 -0.67 121.76 130.38 1jyn s ALA 865 Ca -0.02 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1jyn s ALA 865 Cb -0.18 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1jyn s ALA 865 CO -0.04 -0.55 -0.10 0.42 0.00 0.00 0.00 175.76 175.50 1jyn s ILE 866 N 1.87 3.15 -0.14 0.00 1.01 0.86 -0.20 121.20 127.74 1jyn s ILE 866 Ca 0.22 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1jyn s ILE 866 Cb -0.15 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1jyn s ILE 866 CO 0.09 0.49 -0.08 -0.89 0.00 0.00 0.00 174.94 174.56 1jyn s THR 867 N 0.78 3.55 -0.08 2.92 2.01 -0.08 -1.30 115.64 123.44 1jyn s THR 867 Ca -0.04 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1jyn s THR 867 Cb -0.15 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.84 1jyn s THR 867 CO 0.01 0.51 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 1jyn s VAL 868 N 0.34 1.53 -0.18 3.82 1.01 0.11 -2.00 120.40 125.02 1jyn s VAL 868 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1jyn s VAL 868 Cb -0.15 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.92 1jyn s VAL 868 CO 0.04 0.44 -0.08 -1.81 0.00 0.00 0.00 175.10 173.69 1jyn s ASP 869 N 0.50 3.10 -0.00 3.32 1.01 -0.30 -0.96 116.67 123.34 1jyn s ASP 869 Ca -0.16 -0.77 0.07 0.00 0.71 0.00 0.00 52.55 52.40 1jyn s ASP 869 Cb -0.16 -1.09 -0.03 0.00 1.01 0.00 0.00 42.92 42.65 1jyn s ASP 869 CO 0.06 -0.16 -0.20 -0.69 0.21 0.00 0.00 175.17 174.39 1jyn s VAL 870 N 1.51 2.57 -0.10 -1.27 1.01 -0.28 -0.99 120.40 122.85 1jyn s VAL 870 Ca -0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1jyn s VAL 870 Cb -0.16 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1jyn s VAL 870 CO -0.08 0.49 -0.14 -1.61 0.00 0.00 0.00 175.10 173.76 1jyn s GLU 871 N -0.96 3.04 -0.17 2.72 2.02 0.17 -0.48 118.70 125.03 1jyn s GLU 871 Ca 0.12 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1jyn s GLU 871 Cb -0.10 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.62 1jyn s GLU 871 CO 0.02 0.37 -0.20 0.08 0.02 0.00 0.00 175.26 175.54 1jyn s VAL 872 N -0.06 2.08 0.22 2.63 1.01 0.62 -0.11 120.40 126.78 1jyn s VAL 872 Ca -0.03 -0.95 -0.32 0.00 0.00 0.00 0.00 61.98 60.68 1jyn s VAL 872 Cb -0.14 -1.86 -0.13 0.00 0.00 0.00 0.00 36.38 34.25 1jyn s VAL 872 CO 0.04 0.54 1.50 0.00 0.00 0.00 0.00 175.10 177.18 1jyn n ALA 873 N 4.45 1.42 0.28 5.51 0.00 -0.16 -4.61 120.51 127.40 1jyn n ALA 873 Ca -0.21 0.42 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1jyn n ALA 873 Cb 0.50 -2.33 0.79 0.00 0.00 0.00 0.00 19.45 18.41 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 4.99 0.00 -0.21 0.00 4.64 -1.93 -2.42 113.55 118.62 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 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1jyn h SER 874 CO 0.82 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.96 1jyn n ASP 875 N -3.45 2.22 -4.93 4.97 5.75 -1.26 -4.88 116.55 114.96 1jyn n ASP 875 Ca -0.02 -1.79 -0.27 0.00 -0.01 0.00 0.00 54.79 52.71 1jyn n ASP 875 Cb 0.23 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.74 5.16 0.40 2.12 -1.32 -0.91 -5.03 115.64 114.32 1jyn s THR 876 Ca 0.34 -0.33 -0.27 0.00 -1.21 0.00 0.00 61.69 60.22 1jyn s THR 876 Cb 0.19 -3.76 -0.10 0.00 -1.51 0.00 0.00 72.50 67.33 1jyn s THR 876 CO 0.28 -0.27 1.41 -2.16 -2.21 0.00 0.00 174.62 171.67 1jyn s PRO 877 N -3.55 3.97 0.23 7.08 0.04 -1.26 -4.87 135.00 136.63 1jyn s PRO 877 Ca 0.39 2.40 -0.31 0.00 0.04 0.00 0.00 61.00 63.52 1jyn s PRO 877 Cb -0.11 -2.84 -0.14 0.00 0.04 0.00 0.00 34.50 31.46 1jyn s PRO 877 CO 0.30 -0.58 1.38 0.72 0.04 0.00 0.00 177.00 178.86 1jyn n HIS 878 N 0.22 2.04 -2.16 0.56 8.25 -1.26 -4.91 115.22 117.96 1jyn n HIS 878 Ca 0.03 0.46 -0.30 0.00 -0.26 0.00 0.00 57.72 57.65 1jyn n HIS 878 Cb 0.41 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 29.09 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 -0.38 3.60 0.43 -0.41 0.04 -1.26 -4.87 135.00 132.15 1jyn s PRO 879 Ca 0.69 0.57 0.12 0.00 0.04 0.00 0.00 61.00 62.42 1jyn s PRO 879 Cb -0.68 -2.19 0.93 0.00 0.04 0.00 0.00 34.50 32.60 1jyn s PRO 879 CO 0.50 -0.43 1.97 0.00 0.04 0.00 0.00 177.00 179.08 1jyn h ALA 880 N -0.06 1.64 -2.77 8.56 0.00 -1.89 -3.41 119.26 121.34 1jyn h ALA 880 Ca -0.45 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.36 1jyn h ALA 880 Cb 1.19 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1jyn h ALA 880 CO 0.62 0.26 0.31 -0.98 0.00 0.00 0.00 179.25 179.46 1jyn s ARG 881 N -4.73 1.37 -0.26 0.00 1.70 -1.22 -0.41 118.95 115.40 1jyn s ARG 881 Ca -0.05 -0.66 -0.01 0.00 -0.47 0.00 0.00 55.73 54.54 1jyn s ARG 881 Cb 0.16 0.53 0.08 0.00 -0.57 0.00 0.00 34.95 35.15 1jyn s ARG 881 CO 0.71 -0.62 0.06 0.42 -1.08 0.00 0.00 175.30 174.79 1jyn s ILE 882 N -3.63 0.81 0.00 4.99 1.01 -0.24 -4.15 121.20 120.00 1jyn s ILE 882 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1jyn s ILE 882 Cb -0.03 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1jyn s ILE 882 CO -0.03 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.07 1jyn n GLY 883 N 4.90 2.07 3.35 6.18 0.00 -0.40 -0.92 105.19 120.38 1jyn n GLY 883 Ca -0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 2.55 0.10 0.99 1.43 0.30 -0.35 118.68 123.70 1jyn s LEU 884 Ca 0.00 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 1jyn s LEU 884 Cb 0.00 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.55 1jyn s LEU 884 CO 0.00 -0.17 0.27 0.54 0.23 0.00 0.00 176.35 177.21 1jyn s ASN 885 N -3.33 -0.01 0.10 2.29 4.22 0.34 -0.97 114.94 117.58 1jyn s ASN 885 Ca 0.23 -0.51 -0.25 0.00 -2.14 0.00 0.00 52.86 50.19 1jyn s ASN 885 Cb -0.01 0.38 0.08 0.00 1.28 0.00 0.00 41.25 42.99 1jyn s ASN 885 CO 0.07 -0.76 0.73 0.00 -2.04 0.00 0.00 177.10 175.11 1jyn s GLN 887 N -3.48 3.03 0.46 0.00 0.74 -1.24 -1.58 119.66 117.59 1jyn s GLN 887 Ca 0.03 -0.91 -0.22 0.00 0.05 0.00 0.00 55.36 54.32 1jyn s GLN 887 Cb -0.01 -3.48 -0.08 0.00 1.10 0.00 0.00 33.01 30.54 1jyn s GLN 887 CO -0.10 -0.51 1.05 -0.51 -0.55 0.00 0.00 175.29 174.67 1jyn s LEU 888 N 1.52 3.95 0.25 3.68 1.43 -0.17 0.08 118.68 129.41 1jyn s LEU 888 Ca 0.02 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 1jyn s LEU 888 Cb -0.18 -4.42 0.31 0.00 0.03 0.00 0.00 46.19 41.93 1jyn s LEU 888 CO 0.04 -0.71 1.60 0.00 0.23 0.00 0.00 176.35 177.51 1jyn h ALA 889 N 1.88 0.92 -2.73 4.21 0.00 -0.97 -2.07 119.26 120.50 1jyn h ALA 889 Ca -0.49 -0.50 -0.50 0.00 0.00 0.00 0.00 54.91 53.42 1jyn h ALA 889 Cb 1.22 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1jyn h ALA 889 CO 0.60 0.68 0.45 -1.14 0.00 0.00 0.00 179.25 179.85 1jyn s GLN 890 N -3.89 4.51 -0.14 0.00 2.00 -1.26 -3.98 119.66 116.90 1jyn s GLN 890 Ca -0.04 1.72 0.01 0.00 -2.00 0.00 0.00 55.36 55.05 1jyn s GLN 890 Cb 0.12 -3.01 0.02 0.00 0.80 0.00 0.00 33.01 30.94 1jyn s GLN 890 CO 0.79 0.12 -0.17 0.08 -0.50 0.00 0.00 175.29 175.61 1jyn s VAL 891 N -1.30 1.76 0.20 1.34 1.01 -1.26 -3.49 120.40 118.67 1jyn s VAL 891 Ca 0.48 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1jyn s VAL 891 Cb -0.29 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1jyn s VAL 891 CO 0.37 0.49 -0.21 0.00 0.00 0.00 0.00 175.10 175.75 1jyn s ALA 892 N 1.13 2.39 0.26 5.51 0.00 -1.26 -5.05 121.76 124.74 1jyn s ALA 892 Ca -0.02 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.32 1jyn s ALA 892 Cb -0.14 -0.26 0.33 0.00 0.00 0.00 0.00 23.12 23.05 1jyn s ALA 892 CO -0.06 0.32 1.64 0.93 0.00 0.00 0.00 175.76 178.59 1jyn h GLU 893 N 2.97 0.40 -5.34 0.00 5.08 -2.00 -3.42 114.58 112.29 1jyn h GLU 893 Ca -0.43 -0.20 -0.44 0.00 -1.00 0.00 0.00 59.36 57.29 1jyn h GLU 893 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 1jyn h GLU 893 CO 0.52 0.75 -0.68 1.03 -1.00 0.00 0.00 179.01 179.64 1jyn s ARG 894 N -4.19 1.43 -0.11 2.33 1.81 -1.26 -0.79 118.95 118.17 1jyn s ARG 894 Ca -0.06 -1.71 -0.00 0.00 -1.72 0.00 0.00 55.73 52.24 1jyn s ARG 894 Cb 0.13 -0.93 0.02 0.00 -0.45 0.00 0.00 34.95 33.72 1jyn s ARG 894 CO 0.80 0.00 -0.08 0.08 -0.68 0.00 0.00 175.30 175.42 1jyn s VAL 895 N -3.17 1.01 -0.08 3.52 1.01 0.18 -4.55 120.40 118.32 1jyn s VAL 895 Ca 0.28 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1jyn s VAL 895 Cb 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1jyn s VAL 895 CO 0.10 0.36 -0.19 0.21 0.00 0.00 0.00 175.10 175.57 1jyn s ASN 896 N 1.59 2.55 0.05 3.32 3.84 -0.96 -1.66 114.94 123.66 1jyn s ASN 896 Ca 0.02 -0.45 -0.09 0.00 0.21 0.00 0.00 52.86 52.55 1jyn s ASN 896 Cb -0.13 -1.15 0.00 0.00 -0.55 0.00 0.00 41.25 39.42 1jyn s ASN 896 CO -0.07 0.11 0.18 -1.66 -2.79 0.00 0.00 177.10 172.88 1jyn s TRP 897 N 0.45 0.09 -0.36 0.43 -2.14 -0.23 0.37 118.94 117.54 1jyn s TRP 897 Ca -0.17 -0.37 -0.07 0.00 2.66 0.00 0.00 56.10 58.16 1jyn s TRP 897 Cb -0.17 -0.05 0.05 0.00 -3.10 0.00 0.00 33.47 30.21 1jyn s TRP 897 CO 0.07 -0.45 0.15 -1.17 -2.66 0.00 0.00 176.95 172.88 1jyn s LEU 898 N -2.27 4.58 0.00 -4.66 2.96 0.10 0.04 118.68 119.43 1jyn s LEU 898 Ca -0.03 -1.30 0.00 0.00 -0.22 0.00 0.00 54.13 52.58 1jyn s LEU 898 Cb 0.00 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1jyn s LEU 898 CO -0.06 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.19 1jyn n GLY 899 N 4.81 -0.91 3.73 7.98 0.00 -0.68 -0.17 105.19 119.96 1jyn n GLY 899 Ca -0.11 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 4.42 0.00 0.99 1.43 -0.88 -2.17 118.68 122.47 1jyn s LEU 900 Ca 0.00 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1jyn s LEU 900 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1jyn s LEU 900 CO 0.00 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1jyn n GLY 901 N 2.46 0.56 0.15 -3.19 0.00 -0.09 -4.45 105.19 100.63 1jyn n GLY 901 Ca 0.06 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -7.46 1.61 0.13 -1.93 -1.36 132.00 122.99 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 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1jyn h PRO 902 CO 0.00 0.00 0.33 -0.65 -0.23 0.00 0.00 178.00 177.45 1jyn s GLN 903 N -3.21 2.17 0.30 0.86 -0.21 -1.26 -4.99 119.66 113.31 1jyn s GLN 903 Ca 0.06 -0.00 -0.29 0.00 0.02 0.00 0.00 55.36 55.15 1jyn s GLN 903 Cb 0.09 -2.05 -0.13 0.00 1.00 0.00 0.00 33.01 31.92 1jyn s GLN 903 CO 0.68 -1.38 1.25 -1.91 -2.12 0.00 0.00 175.29 171.81 1jyn n GLU 904 N -3.11 1.88 -3.72 2.91 2.13 -1.26 -4.87 120.64 114.59 1jyn n GLU 904 Ca 0.08 0.66 -0.13 0.00 0.66 0.00 0.00 57.16 58.43 1jyn n GLU 904 Cb 0.60 -2.21 -0.10 0.00 0.27 0.00 0.00 31.44 30.01 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 -0.21 -0.46 0.32 4.31 2.20 0.74 -4.94 114.94 116.91 1jyn s ASN 905 Ca 0.60 0.86 0.08 0.00 -0.94 0.00 0.00 52.86 53.46 1jyn s ASN 905 Cb -0.63 0.85 -0.06 0.00 -2.00 0.00 0.00 41.25 39.41 1jyn s ASN 905 CO 0.58 -0.16 -0.06 -0.31 -2.94 0.00 0.00 177.10 174.21 1jyn s TYR 906 N 0.45 2.21 0.31 1.54 1.51 -0.95 -3.78 117.35 118.64 1jyn s TYR 906 Ca -0.02 -0.61 0.08 0.00 -1.01 0.00 0.00 57.07 55.51 1jyn s TYR 906 Cb -0.04 -1.30 0.86 0.00 -0.11 0.00 0.00 41.96 41.37 1jyn s TYR 906 CO -0.02 0.43 1.72 -1.35 -1.11 0.00 0.00 175.55 175.21 1jyn h PRO 907 N 2.11 0.50 -0.48 -1.71 0.11 -1.86 0.33 132.00 131.00 1jyn h PRO 907 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jyn h PRO 907 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jyn h PRO 907 CO 0.70 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 1jyn n ASP 908 N -4.94 3.32 -3.09 -2.05 5.75 -1.26 -4.28 116.55 110.01 1jyn n ASP 908 Ca 0.26 -1.97 -0.17 0.00 -0.01 0.00 0.00 54.79 52.90 1jyn n ASP 908 Cb 0.74 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 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 1.36 0.89 0.00 0.11 0.63 0.11 -1.08 116.66 118.68 1jyn n ARG 909 Ca 0.20 -3.00 0.00 0.00 -0.92 0.00 0.00 57.85 54.14 1jyn n ARG 909 Cb 0.56 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.01 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 0.69 0.92 0.16 6.15 -0.00 -0.85 -2.25 117.00 121.83 1jyn n LEU 910 Ca 0.20 -0.92 0.03 0.00 -0.00 0.00 0.00 56.01 55.32 1jyn n LEU 910 Cb 0.63 0.00 0.40 0.00 -0.00 0.00 0.00 43.42 44.45 1jyn n LEU 910 CO 0.16 0.23 0.84 0.71 -0.00 0.00 0.00 177.39 179.33 1jyn h THR 911 N 1.43 1.19 0.00 1.47 1.35 -1.90 -2.10 112.91 114.35 1jyn h THR 911 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1jyn h THR 911 Cb 0.70 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1jyn h THR 911 CO 0.00 0.27 0.00 0.00 -0.25 0.00 0.00 175.52 175.54 1jyn h ALA 912 N 1.67 1.00 -2.45 6.62 0.00 -1.87 -3.45 119.26 120.77 1jyn h ALA 912 Ca 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 1jyn h ALA 912 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.31 1jyn h ALA 912 CO 0.03 0.00 0.40 0.00 0.00 0.00 0.00 179.25 179.68 1jyn s ALA 913 N -3.31 2.70 0.09 0.00 0.00 -0.79 -5.00 121.76 115.45 1jyn s ALA 913 Ca 0.06 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.73 1jyn s ALA 913 Cb 0.08 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1jyn s ALA 913 CO 0.61 -0.78 -0.22 0.00 0.00 0.00 0.00 175.76 175.36 1jyn s PHE 915 N -1.02 3.54 0.06 0.00 2.19 -1.26 -0.91 117.98 120.57 1jyn s PHE 915 Ca 0.08 1.23 -0.14 0.00 0.33 0.00 0.00 56.93 58.43 1jyn s PHE 915 Cb -0.10 -2.84 0.05 0.00 -1.31 0.00 0.00 43.02 38.82 1jyn s PHE 915 CO 0.04 0.02 0.67 -3.47 1.83 0.00 0.00 175.22 174.31 1jyn n ASP 916 N 4.09 -0.89 -4.64 6.13 -0.08 -0.92 -4.92 116.55 115.31 1jyn n ASP 916 Ca -0.00 -1.37 -0.39 0.00 -1.51 0.00 0.00 54.79 51.51 1jyn n ASP 916 Cb 0.51 1.43 -0.08 0.00 2.34 0.00 0.00 41.12 45.32 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 4.12 0.24 -0.67 6.06 -1.26 -1.69 118.95 123.73 1jyn s ARG 917 Ca 0.15 0.25 0.11 0.00 -2.50 0.00 0.00 55.73 53.75 1jyn s ARG 917 Cb -0.01 -3.60 -0.05 0.00 0.06 0.00 0.00 34.95 31.35 1jyn s ARG 917 CO 0.02 -0.20 -0.18 -1.58 -2.50 0.00 0.00 175.30 170.86 1jyn s TRP 918 N 1.83 2.37 -0.26 5.12 0.52 0.11 -4.97 118.94 123.66 1jyn s TRP 918 Ca 0.20 -0.32 -0.03 0.00 0.02 0.00 0.00 56.10 55.98 1jyn s TRP 918 Cb -0.15 -1.08 0.15 0.00 -1.15 0.00 0.00 33.47 31.23 1jyn s TRP 918 CO 0.09 0.63 0.46 0.34 0.02 0.00 0.00 176.95 178.49 1jyn s ASP 919 N -3.23 -0.37 0.19 2.95 -1.08 -1.26 -1.07 116.67 112.80 1jyn s ASP 919 Ca 0.27 0.52 0.07 0.00 -0.52 0.00 0.00 52.55 52.88 1jyn s ASP 919 Cb -0.06 1.51 -0.05 0.00 -1.46 0.00 0.00 42.92 42.86 1jyn s ASP 919 CO 0.14 -0.28 -0.13 -0.76 0.52 0.00 0.00 175.17 174.66 1jyn s LEU 920 N 2.66 2.54 0.46 -1.34 1.43 -0.67 -4.97 118.68 118.80 1jyn s LEU 920 Ca 0.14 -1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 1jyn s LEU 920 Cb -0.15 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 1jyn s LEU 920 CO -0.17 -0.22 1.23 -2.16 0.23 0.00 0.00 176.35 175.25 1jyn s PRO 921 N -3.68 3.69 0.31 1.29 0.04 -1.26 -0.64 135.00 134.75 1jyn s PRO 921 Ca 0.21 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.26 1jyn s PRO 921 Cb 0.00 -2.46 0.86 0.00 0.04 0.00 0.00 34.50 32.95 1jyn s PRO 921 CO 0.05 -0.65 1.67 1.25 0.04 0.00 0.00 177.00 179.36 1jyn h LEU 922 N 2.09 0.30 -2.28 -3.56 5.85 -1.21 -0.44 115.31 116.05 1jyn h LEU 922 Ca -0.50 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1jyn h LEU 922 Cb 1.26 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1jyn h LEU 922 CO 0.60 -0.10 -0.04 0.77 -0.34 0.00 0.00 178.44 179.33 1jyn h SER 923 N 0.32 0.00 0.76 1.25 4.64 -1.90 -0.46 113.55 118.15 1jyn h SER 923 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1jyn h SER 923 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1jyn h SER 923 CO -0.60 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 175.87 1jyn n ASP 924 N -3.36 0.06 -0.66 4.97 8.00 -0.18 -2.60 116.55 122.79 1jyn n ASP 924 Ca -0.02 0.51 0.09 0.00 0.71 0.00 0.00 54.79 56.08 1jyn n ASP 924 Cb 0.17 -0.52 0.30 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.56 1.85 -5.19 -1.24 2.81 -0.18 -4.74 117.12 108.87 1jyn n MET 925 Ca 0.05 -1.29 -0.31 0.00 -1.81 0.00 0.00 57.70 54.34 1jyn n MET 925 Cb 0.25 -1.37 -0.17 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.66 2.38 -0.25 2.03 5.04 -1.07 -4.49 117.35 119.34 1jyn s TYR 926 Ca 0.31 -0.81 -0.08 0.00 -2.44 0.00 0.00 57.07 54.05 1jyn s TYR 926 Cb 0.17 -1.58 -0.03 0.00 0.35 0.00 0.00 41.96 40.86 1jyn s TYR 926 CO 0.24 -0.28 0.09 0.99 -1.34 0.00 0.00 175.55 175.25 1jyn s THR 927 N 0.05 4.57 -1.40 4.34 2.01 -1.26 -4.97 115.64 118.99 1jyn s THR 927 Ca -0.09 -0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 1jyn s THR 927 Cb -0.15 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.30 1jyn s THR 927 CO 0.05 0.34 2.30 -0.81 -0.69 0.00 0.00 174.62 175.81 1jyn n PRO 928 N 4.78 3.76 -1.80 4.92 -0.04 -1.26 -4.87 135.00 140.48 1jyn n PRO 928 Ca -0.16 -3.07 -0.41 0.00 -0.04 0.00 0.00 63.50 59.82 1jyn n PRO 928 Cb 0.52 -2.89 -0.01 0.00 -0.04 0.00 0.00 33.50 31.08 1jyn n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jyn s TYR 929 N 0.85 2.65 0.17 0.54 2.02 -1.26 -4.87 117.35 117.45 1jyn s TYR 929 Ca 0.51 1.05 -0.15 0.00 -0.37 0.00 0.00 57.07 58.11 1jyn s TYR 929 Cb 0.15 -4.03 0.12 0.00 -0.40 0.00 0.00 41.96 37.80 1jyn s TYR 929 CO -0.05 -3.15 1.72 0.28 -1.57 0.00 0.00 175.55 172.78 1jyn h VAL 930 N 3.11 0.78 -3.34 0.71 2.07 -1.97 -3.28 116.25 114.32 1jyn h VAL 930 Ca -0.50 -0.07 -0.69 0.00 0.82 0.00 0.00 66.70 66.27 1jyn h VAL 930 Cb 1.23 0.55 -0.18 0.00 -1.52 0.00 0.00 31.29 31.37 1jyn h VAL 930 CO 0.69 0.04 -0.01 0.12 0.02 0.00 0.00 177.57 178.42 1jyn s PHE 931 N -6.16 3.08 0.42 1.57 5.36 -1.26 -0.42 117.98 120.58 1jyn s PHE 931 Ca -0.13 -0.48 -0.26 0.00 -0.96 0.00 0.00 56.93 55.10 1jyn s PHE 931 Cb 0.14 -3.38 -0.09 0.00 -0.34 0.00 0.00 43.02 39.35 1jyn s PHE 931 CO 0.72 -0.94 1.38 -2.14 -1.46 0.00 0.00 175.22 172.77 1jyn s PRO 932 N 2.50 3.84 0.30 10.12 0.02 -1.24 -4.95 135.00 145.60 1jyn s PRO 932 Ca 0.15 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.39 1jyn s PRO 932 Cb -0.19 -2.73 0.04 0.00 0.02 0.00 0.00 34.50 31.65 1jyn s PRO 932 CO 0.13 -0.66 0.58 -1.13 -0.33 0.00 0.00 177.00 175.59 1jyn n SER 933 N 0.00 -1.67 -4.66 2.53 3.41 -1.26 -4.72 113.62 107.25 1jyn n SER 933 Ca 0.04 -2.28 -0.44 0.00 -0.26 0.00 0.00 58.87 55.93 1jyn n SER 933 Cb 0.42 2.82 -0.02 0.00 -0.26 0.00 0.00 64.21 67.18 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 -0.42 1.85 -3.68 4.33 4.07 -0.27 -4.94 120.64 121.58 1jyn n GLU 934 Ca -0.06 0.65 -0.07 0.00 -0.06 0.00 0.00 57.16 57.63 1jyn n GLU 934 Cb 0.46 -2.19 -0.02 0.00 -0.06 0.00 0.00 31.44 29.63 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 -0.20 -0.30 0.00 4.31 2.20 -1.26 -4.91 114.94 114.78 1jyn s ASN 935 Ca 0.61 -0.32 0.00 0.00 -0.94 0.00 0.00 52.86 52.21 1jyn s ASN 935 Cb -0.64 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.16 1jyn s ASN 935 CO 0.58 -0.98 0.00 0.61 -2.94 0.00 0.00 177.10 174.37 1jyn n GLY 936 N -0.41 0.78 3.74 0.45 0.00 -1.26 -4.77 105.19 103.71 1jyn n GLY 936 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.52 -0.07 0.99 2.96 -1.26 -4.63 118.68 120.19 1jyn s LEU 937 Ca 0.00 2.47 0.03 0.00 -0.22 0.00 0.00 54.13 56.41 1jyn s LEU 937 Cb 0.00 -4.60 0.01 0.00 0.50 0.00 0.00 46.19 42.09 1jyn s LEU 937 CO 0.00 -1.96 -0.16 -0.13 -1.32 0.00 0.00 176.35 172.78 1jyn s ARG 938 N -3.53 1.99 0.57 1.98 3.00 -0.53 -0.18 118.95 122.25 1jyn s ARG 938 Ca 0.78 -0.55 0.08 0.00 0.00 0.00 0.00 55.73 56.04 1jyn s ARG 938 Cb -0.33 -1.62 0.07 0.00 0.00 0.00 0.00 34.95 33.07 1jyn s ARG 938 CO 0.39 0.11 0.63 0.00 0.00 0.00 0.00 175.30 176.44 1jyn n GLY 940 N -2.05 -0.50 3.75 0.00 0.00 -1.20 -2.07 105.19 103.11 1jyn n GLY 940 Ca 0.08 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.15 5.14 -0.06 2.61 2.01 0.06 -3.76 115.64 118.49 1jyn s THR 941 Ca 0.51 0.94 0.16 0.00 0.31 0.00 0.00 61.69 63.61 1jyn s THR 941 Cb -0.25 -3.80 -0.24 0.00 0.01 0.00 0.00 72.50 68.21 1jyn s THR 941 CO 0.63 0.38 0.29 0.54 -0.69 0.00 0.00 174.62 175.77 1jyn n ARG 942 N 3.25 0.76 -3.74 4.92 5.12 0.76 -1.44 116.66 126.28 1jyn n ARG 942 Ca -0.09 -0.12 -0.13 0.00 -1.93 0.00 0.00 57.85 55.59 1jyn n ARG 942 Cb 0.52 -1.40 -0.10 0.00 -1.16 0.00 0.00 32.46 30.31 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 -2.96 0.42 -0.04 5.56 2.12 -1.16 -1.28 118.70 121.36 1jyn s GLU 943 Ca -0.07 0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.82 1jyn s GLU 943 Cb 0.09 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.68 1jyn s GLU 943 CO 0.68 -0.06 -0.07 -1.17 -0.54 0.00 0.00 175.26 174.10 1jyn s LEU 944 N 0.32 1.52 -0.09 2.70 2.96 -0.06 -0.72 118.68 125.31 1jyn s LEU 944 Ca -0.01 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1jyn s LEU 944 Cb -0.03 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.14 1jyn s LEU 944 CO -0.01 -0.01 -0.18 0.20 -1.32 0.00 0.00 176.35 175.03 1jyn s ASN 945 N 0.65 2.49 -0.20 3.68 0.01 0.16 -0.77 114.94 120.96 1jyn s ASN 945 Ca -0.10 -0.44 -0.04 0.00 -0.71 0.00 0.00 52.86 51.57 1jyn s ASN 945 Cb -0.13 -1.14 0.10 0.00 0.41 0.00 0.00 41.25 40.49 1jyn s ASN 945 CO 0.01 0.09 0.32 -0.47 -1.51 0.00 0.00 177.10 175.54 1jyn s TYR 946 N 0.53 -0.59 0.00 2.20 5.04 -0.56 -2.28 117.35 121.69 1jyn s TYR 946 Ca -0.16 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1jyn s TYR 946 Cb -0.17 -0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.09 1jyn s TYR 946 CO 0.06 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 1jyn n GLY 947 N 5.35 2.32 0.21 8.97 0.00 -1.26 -1.44 105.19 119.35 1jyn n GLY 947 Ca -0.05 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 13.37 0.91 -3.43 1.61 -0.04 -1.26 -4.92 135.00 141.24 1jyn n PRO 948 Ca 0.00 -0.43 -0.31 0.00 -0.04 0.00 0.00 63.50 62.73 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 3.45 -0.02 0.54 3.76 -0.52 -2.85 115.29 117.26 1jyn s HIS 949 Ca 0.30 0.75 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 1jyn s HIS 949 Cb 0.20 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.74 1jyn s HIS 949 CO 0.46 0.26 0.01 -1.14 -0.85 0.00 0.00 174.74 173.48 1jyn s GLN 950 N -3.02 0.12 -0.07 1.40 0.74 -0.60 -1.50 119.66 116.72 1jyn s GLN 950 Ca 0.45 0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.99 1jyn s GLN 950 Cb -0.11 -0.28 -0.00 0.00 1.10 0.00 0.00 33.01 33.71 1jyn s GLN 950 CO 0.24 -0.10 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.09 1jyn s TRP 951 N 0.72 2.26 0.05 1.67 0.51 0.05 -0.92 118.94 123.28 1jyn s TRP 951 Ca -0.07 -0.79 0.06 0.00 -2.12 0.00 0.00 56.10 53.18 1jyn s TRP 951 Cb -0.09 -1.51 -0.03 0.00 -0.81 0.00 0.00 33.47 31.03 1jyn s TRP 951 CO -0.02 -0.30 -0.17 1.03 -0.51 0.00 0.00 176.95 176.98 1jyn s ARG 952 N 0.16 1.10 0.00 4.98 0.52 -0.35 -0.88 118.95 124.48 1jyn s ARG 952 Ca -0.11 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 1jyn s ARG 952 Cb -0.15 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.13 1jyn s ARG 952 CO 0.06 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.08 1jyn n GLY 953 N 1.67 -0.58 2.85 -3.53 0.00 -0.40 -0.58 105.19 104.61 1jyn n GLY 953 Ca -0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.05 0.32 1.61 2.15 -1.24 -4.27 116.67 111.19 1jyn s ASP 954 Ca 0.00 -1.56 0.05 0.00 0.43 0.00 0.00 52.55 51.47 1jyn s ASP 954 Cb 0.00 1.09 -0.02 0.00 -0.30 0.00 0.00 42.92 43.69 1jyn s ASP 954 CO 0.00 -0.18 0.32 2.22 -0.17 0.00 0.00 175.17 177.35 1jyn n PHE 955 N 3.88 -0.91 -4.40 -5.34 1.16 -0.52 -4.88 117.46 106.44 1jyn n PHE 955 Ca 0.15 -2.54 -0.29 0.00 -1.87 0.00 0.00 57.45 52.89 1jyn n PHE 955 Cb 0.51 0.34 -0.12 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 -3.15 1.68 0.19 3.97 -1.52 0.20 -0.76 119.66 120.28 1jyn s GLN 956 Ca 0.35 -1.21 -0.14 0.00 -1.95 0.00 0.00 55.36 52.41 1jyn s GLN 956 Cb 0.01 -2.04 0.01 0.00 -0.22 0.00 0.00 33.01 30.77 1jyn s GLN 956 CO 0.25 0.48 0.44 -0.59 -0.25 0.00 0.00 175.29 175.62 1jyn s PHE 957 N -1.07 0.13 0.07 0.91 -0.71 -0.40 0.36 117.98 117.26 1jyn s PHE 957 Ca 0.16 -0.48 0.01 0.00 -1.04 0.00 0.00 56.93 55.57 1jyn s PHE 957 Cb -0.10 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 1jyn s PHE 957 CO 0.08 -0.87 -0.05 0.54 -1.34 0.00 0.00 175.22 173.58 1jyn s ASN 958 N -2.93 0.84 -0.22 1.98 2.20 -0.26 -1.45 114.94 115.10 1jyn s ASN 958 Ca 0.14 -0.95 -0.13 0.00 -0.94 0.00 0.00 52.86 50.98 1jyn s ASN 958 Cb 0.00 0.13 0.07 0.00 -2.00 0.00 0.00 41.25 39.45 1jyn s ASN 958 CO 0.00 -0.49 0.55 -0.51 -2.94 0.00 0.00 177.10 173.71 1jyn s ILE 959 N -3.47 -0.01 0.14 0.54 2.07 -1.26 -1.47 121.20 117.74 1jyn s ILE 959 Ca 0.07 0.04 -0.24 0.00 -1.41 0.00 0.00 60.65 59.12 1jyn s ILE 959 Cb 0.04 -0.80 0.08 0.00 0.13 0.00 0.00 42.46 41.92 1jyn s ILE 959 CO -0.06 0.02 1.09 -0.94 -1.91 0.00 0.00 174.94 173.14 1jyn s SER 960 N 1.43 -0.01 -0.01 4.50 1.04 -0.52 -4.59 113.70 115.56 1jyn s SER 960 Ca -0.09 -0.56 0.10 0.00 0.48 0.00 0.00 55.95 55.88 1jyn s SER 960 Cb -0.07 0.42 0.29 0.00 0.10 0.00 0.00 66.02 66.77 1jyn s SER 960 CO -0.15 -0.84 1.22 0.54 0.98 0.00 0.00 173.24 174.99 1jyn n ARG 961 N -0.72 1.80 -4.59 4.02 5.12 -1.26 0.71 116.66 121.73 1jyn n ARG 961 Ca -0.02 -1.17 -0.29 0.00 -1.93 0.00 0.00 57.85 54.44 1jyn n ARG 961 Cb 0.59 -1.28 -0.17 0.00 -1.16 0.00 0.00 32.46 30.44 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 -1.58 2.16 0.67 -1.55 2.02 -1.26 -0.95 117.35 116.85 1jyn s TYR 962 Ca 0.22 -1.01 -0.15 0.00 -0.37 0.00 0.00 57.07 55.76 1jyn s TYR 962 Cb 0.12 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1jyn s TYR 962 CO 0.14 -0.49 1.11 -1.54 -1.57 0.00 0.00 175.55 173.20 1jyn s SER 963 N 0.86 5.08 0.36 2.29 1.04 -1.26 -4.84 113.70 117.24 1jyn s SER 963 Ca -0.08 1.98 0.06 0.00 0.48 0.00 0.00 55.95 58.38 1jyn s SER 963 Cb -0.15 -2.55 0.73 0.00 0.10 0.00 0.00 66.02 64.15 1jyn s SER 963 CO -0.00 -1.65 1.94 1.56 0.98 0.00 0.00 173.24 176.07 1jyn h GLN 964 N -0.05 0.75 -0.64 4.02 1.08 -1.99 -0.70 115.11 117.58 1jyn h GLN 964 Ca -0.46 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 56.64 1jyn h GLN 964 Cb 1.24 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.48 1jyn h GLN 964 CO 0.54 0.50 0.20 0.37 -0.95 0.00 0.00 178.83 179.49 1jyn h GLN 965 N 0.77 1.00 -0.36 1.46 4.15 -1.99 -1.71 115.11 118.43 1jyn h GLN 965 Ca 0.34 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1jyn h GLN 965 Cb 0.32 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1jyn h GLN 965 CO -0.12 0.87 0.10 0.37 -1.93 0.00 0.00 178.83 178.13 1jyn h GLN 966 N 0.93 0.56 -0.16 1.69 4.15 -1.61 -1.35 115.11 119.31 1jyn h GLN 966 Ca 0.21 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 1jyn h GLN 966 Cb 0.29 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1jyn h GLN 966 CO -0.01 0.59 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.31 1jyn h LEU 967 N 0.43 0.23 -0.36 -2.39 3.38 -0.89 -1.69 115.31 114.01 1jyn h LEU 967 Ca 0.11 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1jyn h LEU 967 Cb 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jyn h LEU 967 CO -0.00 0.37 -0.33 -0.03 0.09 0.00 0.00 178.44 178.54 1jyn h MET 968 N 0.24 0.00 -0.02 1.13 4.05 -1.05 -3.20 114.93 116.07 1jyn h MET 968 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1jyn h MET 968 Cb 0.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1jyn h MET 968 CO 0.02 0.33 -0.16 0.39 0.23 0.00 0.00 176.91 177.72 1jyn n GLU 969 N -3.26 1.75 -4.45 0.39 1.02 -0.53 -4.90 120.64 110.67 1jyn n GLU 969 Ca 0.02 -1.36 -0.34 0.00 -0.02 0.00 0.00 57.16 55.46 1jyn n GLU 969 Cb 0.60 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.18 3.78 -0.52 2.62 2.01 -0.82 -5.01 115.64 115.51 1jyn s THR 970 Ca 0.27 -0.40 0.24 0.00 0.31 0.00 0.00 61.69 62.11 1jyn s THR 970 Cb 0.20 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 70.14 1jyn s THR 970 CO 0.40 0.50 1.31 0.77 -0.69 0.00 0.00 174.62 176.91 1jyn h SER 971 N 6.70 0.00 -3.71 3.53 4.64 -1.90 -3.38 113.55 119.42 1jyn h SER 971 Ca -0.30 -0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 60.68 1jyn h SER 971 Cb 1.19 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.00 1jyn h SER 971 CO 0.62 0.06 -0.64 -1.00 -0.87 0.00 0.00 176.83 175.00 1jyn s HIS 972 N -3.22 -0.08 0.41 4.77 3.76 -1.26 -4.46 115.29 115.21 1jyn s HIS 972 Ca 0.05 0.21 0.12 0.00 -0.15 0.00 0.00 55.06 55.29 1jyn s HIS 972 Cb 0.11 0.00 0.95 0.00 1.11 0.00 0.00 32.58 34.75 1jyn s HIS 972 CO 0.72 -0.05 1.95 0.07 -0.85 0.00 0.00 174.74 176.58 1jyn h ARG 973 N 6.22 0.50 0.00 1.40 0.11 -0.94 -1.66 114.38 120.01 1jyn h ARG 973 Ca -0.27 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1jyn h ARG 973 Cb 1.19 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1jyn h ARG 973 CO 0.46 0.33 0.00 -2.39 0.10 0.00 0.00 179.97 178.47 1jyn n HIS 974 N -4.48 0.00 1.21 4.08 1.44 -1.26 -2.29 115.22 113.92 1jyn n HIS 974 Ca 0.12 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.96 1jyn n HIS 974 Cb 0.39 -0.36 0.28 0.00 0.12 0.00 0.00 29.99 30.42 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 -1.36 2.22 -4.79 2.39 4.77 -0.62 -4.93 117.00 114.68 1jyn n LEU 975 Ca 0.08 -0.74 -0.36 0.00 -0.03 0.00 0.00 56.01 54.96 1jyn n LEU 975 Cb 0.18 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1jyn n LEU 975 CO 0.16 0.37 0.72 -0.76 -1.33 0.00 0.00 177.39 176.55 1jyn s LEU 976 N -2.06 4.08 -0.05 2.23 1.43 -0.97 -5.05 118.68 118.28 1jyn s LEU 976 Ca 0.31 1.96 0.02 0.00 -1.03 0.00 0.00 54.13 55.40 1jyn s LEU 976 Cb 0.20 -4.28 0.01 0.00 0.03 0.00 0.00 46.19 42.16 1jyn s LEU 976 CO 0.35 -0.50 -0.11 -1.38 0.23 0.00 0.00 176.35 174.94 1jyn s HIS 977 N -1.77 1.26 0.33 0.29 -3.43 -1.26 -5.11 115.29 105.61 1jyn s HIS 977 Ca 0.59 -0.42 -0.29 0.00 -0.80 0.00 0.00 55.06 54.14 1jyn s HIS 977 Cb -0.19 -0.93 -0.11 0.00 -1.43 0.00 0.00 32.58 29.91 1jyn s HIS 977 CO 0.24 -0.22 1.56 0.00 -2.00 0.00 0.00 174.74 174.33 1jyn n ALA 978 N 3.69 2.54 -1.96 -1.38 0.00 -1.26 -4.84 120.51 117.31 1jyn n ALA 978 Ca -0.22 0.36 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 1jyn n ALA 978 Cb 0.52 -2.45 0.07 0.00 0.00 0.00 0.00 19.45 17.59 1jyn n ALA 978 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jyn s GLU 979 N -1.18 2.14 0.40 0.00 2.02 -0.12 -5.04 118.70 116.92 1jyn s GLU 979 Ca 0.59 -0.60 -0.25 0.00 0.02 0.00 0.00 54.97 54.74 1jyn s GLU 979 Cb -0.48 -2.29 -0.08 0.00 0.10 0.00 0.00 34.13 31.37 1jyn s GLU 979 CO 0.55 -1.16 1.18 -2.00 0.02 0.00 0.00 175.26 173.85 1jyn s GLU 980 N -5.10 4.04 2.02 1.61 2.12 -1.26 -4.77 118.70 117.36 1jyn s GLU 980 Ca 0.61 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.79 1jyn s GLU 980 Cb -0.09 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.62 1jyn s GLU 980 CO 0.43 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1jyn n GLY 981 N 0.63 -0.91 2.91 -1.50 0.00 -1.26 -4.82 105.19 100.24 1jyn n GLY 981 Ca 0.04 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 0.68 -0.07 2.61 2.01 -0.78 -4.70 115.64 115.40 1jyn s THR 982 Ca 0.00 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 1jyn s THR 982 Cb 0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1jyn s THR 982 CO 0.00 0.26 0.82 0.26 -0.69 0.00 0.00 174.62 175.28 1jyn s TRP 983 N 1.00 3.57 -0.10 4.92 0.52 0.22 -1.00 118.94 128.07 1jyn s TRP 983 Ca -0.09 1.40 0.04 0.00 0.02 0.00 0.00 56.10 57.46 1jyn s TRP 983 Cb -0.14 -2.95 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 1jyn s TRP 983 CO -0.00 -0.02 -0.22 -1.17 0.02 0.00 0.00 176.95 175.56 1jyn s LEU 984 N 1.18 2.02 -0.19 2.99 2.96 -0.61 -1.43 118.68 125.59 1jyn s LEU 984 Ca 0.42 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1jyn s LEU 984 Cb -0.18 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.21 1jyn s LEU 984 CO 0.20 0.13 -0.17 0.20 -1.32 0.00 0.00 176.35 175.39 1jyn s ASN 985 N 0.45 3.31 -0.18 3.68 0.01 -0.55 -1.98 114.94 119.69 1jyn s ASN 985 Ca -0.17 -0.77 0.01 0.00 -0.71 0.00 0.00 52.86 51.22 1jyn s ASN 985 Cb -0.17 -1.43 0.03 0.00 0.41 0.00 0.00 41.25 40.10 1jyn s ASN 985 CO 0.07 -0.05 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.85 1jyn s ILE 986 N 1.30 1.71 -0.12 0.60 1.01 -0.14 -1.10 121.20 124.45 1jyn s ILE 986 Ca 0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 1jyn s ILE 986 Cb -0.14 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1jyn s ILE 986 CO -0.11 0.30 0.02 -1.81 0.00 0.00 0.00 174.94 173.34 1jyn s ASP 987 N 1.39 5.35 0.12 3.58 1.01 0.16 -0.54 116.67 127.74 1jyn s ASP 987 Ca 0.01 0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.30 1jyn s ASP 987 Cb -0.15 -1.69 -0.11 0.00 1.01 0.00 0.00 42.92 41.98 1jyn s ASP 987 CO -0.09 0.30 1.31 1.23 0.21 0.00 0.00 175.17 178.12 1jyn h GLY 988 N 5.77 0.65 -5.00 0.21 0.00 -1.31 0.60 103.07 103.99 1jyn h GLY 988 Ca -0.44 -1.03 -0.16 0.00 0.00 0.00 0.00 47.33 45.70 1jyn h GLY 988 CO 0.60 0.91 -0.54 -1.36 0.00 0.00 0.00 176.54 176.15 1jyn s PHE 989 N -3.50 0.01 -0.05 5.60 0.40 -1.03 -4.67 117.98 114.73 1jyn s PHE 989 Ca -0.08 -0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1jyn s PHE 989 Cb 0.09 -0.03 0.02 0.00 0.51 0.00 0.00 43.02 43.60 1jyn s PHE 989 CO 0.88 -0.21 0.13 -1.58 0.70 0.00 0.00 175.22 175.14 1jyn s HIS 990 N -0.93 -0.14 0.69 0.36 2.46 -1.26 -1.08 115.29 115.39 1jyn s HIS 990 Ca -0.10 0.37 -0.14 0.00 0.47 0.00 0.00 55.06 55.66 1jyn s HIS 990 Cb -0.06 -0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.39 1jyn s HIS 990 CO 0.01 -0.10 1.12 1.41 -2.47 0.00 0.00 174.74 174.71 1jyn s MET 991 N 0.52 2.61 1.00 2.88 1.75 0.45 -4.77 119.30 123.74 1jyn s MET 991 Ca -0.04 1.43 -0.12 0.00 -1.25 0.00 0.00 55.69 55.71 1jyn s MET 991 Cb -0.05 -1.92 0.19 0.00 2.84 0.00 0.00 34.83 35.89 1jyn s MET 991 CO -0.02 -1.41 1.08 0.20 -0.65 0.00 0.00 175.02 174.22 1jyn s GLY 992 N -2.57 1.60 0.03 2.11 0.00 -0.53 -4.72 107.32 103.23 1jyn s GLY 992 Ca 0.68 -0.04 0.22 0.00 0.00 0.00 0.00 44.72 45.57 1jyn s GLY 992 CO 0.44 0.53 0.74 0.29 0.00 0.00 0.00 173.10 175.10 1jyn n ILE 993 N -4.31 0.12 -4.38 0.90 -5.35 -1.26 -4.94 119.36 100.14 1jyn n ILE 993 Ca 0.06 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1jyn n ILE 993 Cb 0.55 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 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 1.31 -1.38 0.00 3.28 0.00 -1.26 -4.75 105.19 102.39 1jyn n GLY 994 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.38 0.45 -0.02 0.00 -1.25 -0.38 105.19 103.60 1jyn n GLY 995 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 0.03 -5.13 1.61 3.32 -1.80 -0.91 116.42 113.53 1jyn h ASP 996 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1jyn h ASP 996 Cb 0.00 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1jyn h ASP 996 CO 0.00 0.01 0.11 1.51 -1.72 0.00 0.00 179.24 179.15 1jyn s ASP 997 N -5.71 0.06 -0.16 6.45 1.47 -1.26 -4.05 116.67 113.47 1jyn s ASP 997 Ca -0.05 -1.02 0.14 0.00 1.18 0.00 0.00 52.55 52.80 1jyn s ASP 997 Cb 0.21 0.74 0.37 0.00 -0.34 0.00 0.00 42.92 43.91 1jyn s ASP 997 CO 0.77 -1.43 1.19 -1.20 0.68 0.00 0.00 175.17 175.18 1jyn n SER 998 N -0.96 1.70 0.00 2.11 7.64 -1.26 -4.69 113.62 118.16 1jyn n SER 998 Ca -0.04 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.42 1jyn n SER 998 Cb 0.60 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.96 0.00 -3.85 1.43 2.14 -1.26 -4.21 117.44 110.73 1jyn n TRP 999 Ca 0.16 -0.05 -0.11 0.00 2.07 0.00 0.00 57.50 59.56 1jyn n TRP 999 Cb 0.73 -0.01 -0.09 0.00 -0.81 0.00 0.00 31.31 31.14 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 -0.11 0.00 0.26 -0.67 1.04 -1.26 -4.41 113.70 108.54 1jyn s SER 1000Ca 0.00 -0.24 -0.31 0.00 0.48 0.00 0.00 55.95 55.88 1jyn s SER 1000Cb 0.00 0.26 -0.13 0.00 0.10 0.00 0.00 66.02 66.25 1jyn s SER 1000CO 0.00 -0.47 1.53 -2.65 0.98 0.00 0.00 173.24 172.64 1jyn n PRO 1001N 1.07 2.41 0.00 4.02 -0.02 -1.26 -4.82 135.00 136.41 1jyn n PRO 1001Ca -0.21 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1jyn n PRO 1001Cb 0.57 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 2.41 0.65 -4.68 2.55 3.41 -1.26 -5.01 113.62 111.68 1jyn n SER 1002Ca 0.11 -1.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.98 1jyn n SER 1002Cb 0.34 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.31 4.40 0.57 -3.33 1.01 -1.26 -4.43 120.40 117.05 1jyn s VAL 1003Ca 0.00 1.71 -0.19 0.00 0.00 0.00 0.00 61.98 63.49 1jyn s VAL 1003Cb 0.00 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1jyn s VAL 1003CO 0.00 -0.01 1.19 -0.55 0.00 0.00 0.00 175.10 175.72 1jyn s SER 1004N 1.41 5.41 0.36 3.32 0.15 -1.26 -4.88 113.70 118.21 1jyn s SER 1004Ca 0.54 2.34 0.12 0.00 0.70 0.00 0.00 55.95 59.65 1jyn s SER 1004Cb -0.23 -2.60 0.93 0.00 -1.71 0.00 0.00 66.02 62.42 1jyn s SER 1004CO 0.20 -1.44 1.79 0.00 1.20 0.00 0.00 173.24 174.99 1jyn h ALA 1005N 1.08 1.96 0.00 5.45 0.00 -1.96 -0.26 119.26 125.53 1jyn h ALA 1005Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jyn h ALA 1005Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jyn h ALA 1005CO 0.56 -0.33 0.00 -0.85 0.00 0.00 0.00 179.25 178.63 1jyn n GLU 1006N -4.67 0.17 -0.13 0.00 0.00 -1.26 -2.26 120.64 112.50 1jyn n GLU 1006Ca 0.23 0.14 0.06 0.00 0.00 0.00 0.00 57.16 57.59 1jyn n GLU 1006Cb 0.69 -1.50 0.13 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 -1.36 0.33 -3.43 -1.84 3.72 -0.12 -4.97 117.46 109.79 1jyn n PHE 1007Ca 0.07 -0.34 -0.35 0.00 -0.05 0.00 0.00 57.45 56.77 1jyn n PHE 1007Cb 0.16 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.99 3.92 -1.30 -1.08 -0.21 -0.96 -1.45 119.66 117.60 1jyn s GLN 1008Ca 0.21 0.40 -0.15 0.00 0.02 0.00 0.00 55.36 55.85 1jyn s GLN 1008Cb 0.12 -2.99 0.11 0.00 1.00 0.00 0.00 33.01 31.25 1jyn s GLN 1008CO 0.16 0.53 1.75 1.28 -2.12 0.00 0.00 175.29 176.89 1jyn n LEU 1009N 0.96 5.63 -0.91 2.90 4.77 -1.26 -4.71 117.00 124.38 1jyn n LEU 1009Ca -0.07 -4.24 0.08 0.00 -0.03 0.00 0.00 56.01 51.76 1jyn n LEU 1009Cb 0.52 -1.65 0.26 0.00 -2.33 0.00 0.00 43.42 40.22 1jyn n LEU 1009CO 0.42 0.69 0.71 -1.54 -1.33 0.00 0.00 177.39 176.34 1jyn n SER 1010N 6.45 3.90 0.23 -1.43 3.41 -1.26 -4.39 113.62 120.53 1jyn n SER 1010Ca 0.44 -3.03 0.16 0.00 -0.26 0.00 0.00 58.87 56.19 1jyn n SER 1010Cb 0.42 -0.55 0.72 0.00 -0.26 0.00 0.00 64.21 64.54 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 1.82 1.00 0.00 7.33 0.00 -1.98 -3.47 119.26 123.97 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 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jyn h ALA 1011CO 0.23 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1jyn n GLY 1012N -0.33 1.79 3.19 0.00 0.00 -1.26 -4.89 105.19 103.68 1jyn n GLY 1012Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 2.27 0.01 1.61 0.52 -1.26 -0.28 118.95 121.82 1jyn s ARG 1013Ca 0.00 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 1jyn s ARG 1013Cb 0.00 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.57 1jyn s ARG 1013CO 0.00 0.26 -0.10 0.71 0.02 0.00 0.00 175.30 176.19 1jyn s TYR 1014N 0.08 0.85 -0.03 -0.53 2.02 0.37 -4.97 117.35 115.14 1jyn s TYR 1014Ca -0.08 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1jyn s TYR 1014Cb -0.14 -0.53 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 1jyn s TYR 1014CO 0.04 -0.01 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.33 1jyn s HIS 1015N -0.50 1.08 0.10 2.71 5.65 -1.26 -1.13 115.29 121.94 1jyn s HIS 1015Ca 0.01 -0.28 -0.09 0.00 0.25 0.00 0.00 55.06 54.95 1jyn s HIS 1015Cb -0.05 -0.77 -0.00 0.00 -1.18 0.00 0.00 32.58 30.58 1jyn s HIS 1015CO 0.00 -0.12 0.21 1.52 -0.65 0.00 0.00 174.74 175.70 1jyn s TYR 1016N 0.20 0.18 -0.10 3.88 1.13 -0.14 -5.02 117.35 117.48 1jyn s TYR 1016Ca -0.04 -0.60 -0.09 0.00 -1.41 0.00 0.00 57.07 54.94 1jyn s TYR 1016Cb -0.09 -0.05 0.03 0.00 -1.10 0.00 0.00 41.96 40.74 1jyn s TYR 1016CO 0.01 -0.57 0.26 -1.14 -2.51 0.00 0.00 175.55 171.60 1jyn s GLN 1017N -3.87 0.30 0.06 -3.49 0.74 -1.26 0.04 119.66 112.17 1jyn s GLN 1017Ca 0.07 0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.87 1jyn s GLN 1017Cb 0.05 0.14 -0.03 0.00 1.10 0.00 0.00 33.01 34.26 1jyn s GLN 1017CO -0.10 -0.04 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.02 1jyn s LEU 1018N 0.19 2.35 -0.12 3.68 1.43 -0.42 -4.30 118.68 121.50 1jyn s LEU 1018Ca -0.00 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1jyn s LEU 1018Cb -0.02 -0.15 -0.00 0.00 0.03 0.00 0.00 46.19 46.05 1jyn s LEU 1018CO -0.00 -0.29 -0.19 -0.69 0.23 0.00 0.00 176.35 175.41 1jyn s VAL 1019N -2.15 2.43 -0.20 -1.59 1.01 0.25 -0.10 120.40 120.05 1jyn s VAL 1019Ca -0.02 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1jyn s VAL 1019Cb -0.05 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1jyn s VAL 1019CO -0.01 0.54 -0.03 0.86 0.00 0.00 0.00 175.10 176.46 1jyn s TRP 1020N 0.45 2.98 0.16 5.22 -0.11 0.15 -1.21 118.94 126.59 1jyn s TRP 1020Ca -0.14 -0.66 0.02 0.00 1.22 0.00 0.00 56.10 56.54 1jyn s TRP 1020Cb -0.17 -2.07 -0.01 0.00 -1.50 0.00 0.00 33.47 29.73 1jyn s TRP 1020CO 0.06 -0.36 0.16 0.00 -4.62 0.00 0.00 176.95 172.19 1jyn n GLN 1022N -0.29 2.07 0.00 0.00 7.27 -1.26 -1.56 117.38 123.60 1jyn n GLN 1022Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1jyn n GLN 1022Cb 0.28 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.93 1jyn n GLN 1022CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49