#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkf s VAL 12 N 0.00 0.05 -0.04 -3.33 -7.23 -1.24 -4.98 120.40 103.62 1jkf s VAL 12 Ca 0.00 -0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1jkf s VAL 12 Cb 0.00 -0.13 0.02 0.00 0.56 0.00 0.00 36.38 36.83 1jkf s VAL 12 CO 0.00 -0.21 0.10 -1.59 -0.31 0.00 0.00 175.10 173.09 1jkf s LYS 13 N -0.62 0.08 -0.13 4.82 -2.85 -1.26 -4.90 119.74 114.89 1jkf s LYS 13 Ca -0.07 0.21 -0.00 0.00 -1.00 0.00 0.00 55.97 55.11 1jkf s LYS 13 Cb -0.04 -0.06 -0.02 0.00 -2.06 0.00 0.00 37.83 35.66 1jkf s LYS 13 CO -0.00 -0.08 -0.12 0.54 0.10 0.00 0.00 175.35 175.79 1jkf s VAL 14 N 0.52 3.13 -1.08 1.79 0.11 -1.26 -5.05 120.40 118.55 1jkf s VAL 14 Ca -0.04 -0.64 -0.22 0.00 -2.93 0.00 0.00 61.98 58.15 1jkf s VAL 14 Cb -0.05 -2.32 -0.01 0.00 -1.53 0.00 0.00 36.38 32.47 1jkf s VAL 14 CO -0.02 0.52 1.79 -0.69 -3.33 0.00 0.00 175.10 173.37 1jkf s VAL 15 N 0.33 3.71 0.03 2.04 1.01 -1.26 -4.90 120.40 121.36 1jkf s VAL 15 Ca -0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1jkf s VAL 15 Cb -0.16 -4.63 -0.02 0.00 0.00 0.00 0.00 36.38 31.57 1jkf s VAL 15 CO 0.05 -1.40 -0.02 0.28 0.00 0.00 0.00 175.10 174.02 1jkf s THR 16 N 8.04 0.14 -1.75 3.92 -1.32 -1.26 -5.06 115.64 118.35 1jkf s THR 16 Ca 0.61 -1.13 0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1jkf s THR 16 Cb -0.01 -0.60 0.21 0.00 -1.51 0.00 0.00 72.50 70.58 1jkf s THR 16 CO 0.03 -0.62 1.48 -0.90 -2.21 0.00 0.00 174.62 172.40 1jkf n ASP 17 N 1.20 1.15 -0.27 8.08 5.75 -1.26 -4.05 116.55 127.15 1jkf n ASP 17 Ca -0.21 -0.95 0.15 0.00 -0.01 0.00 0.00 54.79 53.76 1jkf n ASP 17 Cb 0.57 0.20 0.71 0.00 -1.03 0.00 0.00 41.12 41.57 1jkf n ASP 17 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jkf n LYS 18 N -0.61 1.38 -4.23 0.11 5.02 -1.26 -4.83 118.16 113.74 1jkf n LYS 18 Ca 0.11 -0.54 -0.23 0.00 -2.02 0.00 0.00 58.31 55.63 1jkf n LYS 18 Cb 0.37 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.72 1jkf n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jkf s THR 20 N 1.04 1.13 -0.36 0.00 -4.23 -0.97 -4.96 115.64 107.29 1jkf s THR 20 Ca -0.08 -0.48 -0.24 0.00 -1.18 0.00 0.00 61.69 59.70 1jkf s THR 20 Cb -0.14 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.68 1jkf s THR 20 CO -0.00 0.35 0.84 -0.31 -0.54 0.00 0.00 174.62 174.96 1jkf s TYR 21 N 0.61 3.10 0.00 3.99 1.51 -1.26 -1.81 117.35 123.50 1jkf s TYR 21 Ca -0.14 0.66 0.00 0.00 -1.01 0.00 0.00 57.07 56.58 1jkf s TYR 21 Cb -0.15 -3.49 0.00 0.00 -0.11 0.00 0.00 41.96 38.21 1jkf s TYR 21 CO 0.04 -0.76 0.00 1.17 -1.11 0.00 0.00 175.55 174.88 1jkf n LYS 22 N 6.55 0.00 -2.29 -0.62 4.81 0.13 -4.84 118.16 121.89 1jkf n LYS 22 Ca 0.05 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.06 1jkf n LYS 22 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1jkf n LYS 22 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jkf n ASP 23 N 0.00 4.86 -3.54 3.14 10.43 -1.26 -4.29 116.55 125.89 1jkf n ASP 23 Ca 0.00 -3.04 -0.24 0.00 2.57 0.00 0.00 54.79 54.08 1jkf n ASP 23 Cb 0.00 -1.53 0.05 0.00 1.84 0.00 0.00 41.12 41.48 1jkf n ASP 23 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1jkf n ASN 24 N 4.65 -4.85 -3.65 -2.24 5.15 -1.26 -4.95 115.26 108.11 1jkf n ASN 24 Ca 0.42 -0.87 -0.05 0.00 -0.60 0.00 0.00 54.58 53.48 1jkf n ASN 24 Cb 0.38 -4.16 -0.06 0.00 -0.53 0.00 0.00 39.78 35.40 1jkf n ASN 24 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1jkf s GLU 25 N -5.44 0.59 -0.07 1.20 2.02 -1.26 -2.91 118.70 112.83 1jkf s GLU 25 Ca 0.36 1.26 -0.21 0.00 0.02 0.00 0.00 54.97 56.41 1jkf s GLU 25 Cb -0.10 0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 1jkf s GLU 25 CO 0.81 -0.18 0.59 -1.17 0.02 0.00 0.00 175.26 175.33 1jkf s LEU 26 N 2.21 4.33 -0.22 1.80 0.20 -0.80 0.18 118.68 126.38 1jkf s LEU 26 Ca -0.08 1.05 -0.01 0.00 0.69 0.00 0.00 54.13 55.78 1jkf s LEU 26 Cb -0.09 -2.90 0.01 0.00 -0.43 0.00 0.00 46.19 42.79 1jkf s LEU 26 CO -0.18 -0.01 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.00 1jkf s LEU 27 N 0.46 2.75 -0.07 -0.68 2.01 -0.75 -0.98 118.68 121.42 1jkf s LEU 27 Ca 0.32 -0.67 0.05 0.00 0.01 0.00 0.00 54.13 53.84 1jkf s LEU 27 Cb -0.17 -1.62 -0.01 0.00 0.01 0.00 0.00 46.19 44.41 1jkf s LEU 27 CO 0.15 -0.05 -0.22 -0.89 1.01 0.00 0.00 176.35 176.34 1jkf s THR 28 N 1.35 1.88 -0.21 5.49 2.01 1.00 -2.30 115.64 124.86 1jkf s THR 28 Ca 0.03 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 1jkf s THR 28 Cb -0.15 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1jkf s THR 28 CO -0.07 0.52 0.30 -0.54 -0.69 0.00 0.00 174.62 174.14 1jkf s LYS 29 N 0.04 4.16 -0.04 4.92 1.02 -0.79 0.13 119.74 129.18 1jkf s LYS 29 Ca -0.08 0.02 0.03 0.00 0.02 0.00 0.00 55.97 55.96 1jkf s LYS 29 Cb -0.14 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1jkf s LYS 29 CO 0.05 0.06 -0.11 -0.47 -0.92 0.00 0.00 175.35 173.95 1jkf s TYR 30 N 1.04 1.25 -0.48 3.18 5.04 0.29 -4.92 117.35 122.75 1jkf s TYR 30 Ca 0.15 -0.37 -0.20 0.00 -2.44 0.00 0.00 57.07 54.21 1jkf s TYR 30 Cb -0.14 -0.89 0.04 0.00 0.35 0.00 0.00 41.96 41.32 1jkf s TYR 30 CO 0.06 -0.17 0.62 0.45 -1.34 0.00 0.00 175.55 175.17 1jkf s SER 31 N 0.34 6.25 -1.16 4.32 0.15 -1.26 0.18 113.70 122.52 1jkf s SER 31 Ca -0.07 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.72 1jkf s SER 31 Cb -0.12 -2.30 0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1jkf s SER 31 CO 0.02 -0.84 1.47 -0.47 1.20 0.00 0.00 173.24 174.62 1jkf s TYR 32 N 2.69 3.11 0.26 3.44 6.04 -0.72 -4.93 117.35 127.24 1jkf s TYR 32 Ca 0.18 -1.69 -0.30 0.00 0.04 0.00 0.00 57.07 55.30 1jkf s TYR 32 Cb -0.17 -4.48 -0.09 0.00 -1.04 0.00 0.00 41.96 36.17 1jkf s TYR 32 CO 0.15 -1.60 1.08 -1.21 -1.54 0.00 0.00 175.55 172.43 1jkf s GLU 33 N 2.96 4.67 0.00 4.97 2.02 -1.26 -3.35 118.70 128.70 1jkf s GLU 33 Ca 0.44 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1jkf s GLU 33 Cb -0.01 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1jkf s GLU 33 CO -0.01 0.24 0.00 -1.71 0.02 0.00 0.00 175.26 173.80 1jkf n ASN 34 N 1.35 0.00 -3.64 -0.19 5.15 -1.01 -4.98 115.26 111.94 1jkf n ASN 34 Ca -0.01 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.92 1jkf n ASN 34 Cb 0.45 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.63 1jkf n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jkf s ALA 35 N -1.10 -2.15 -0.13 5.20 0.00 -1.26 -1.22 121.76 121.09 1jkf s ALA 35 Ca 0.00 1.95 -0.07 0.00 0.00 0.00 0.00 51.96 53.84 1jkf s ALA 35 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1jkf s ALA 35 CO 0.00 -0.25 0.12 0.08 0.00 0.00 0.00 175.76 175.71 1jkf s VAL 36 N 0.58 5.30 -0.02 0.00 1.01 0.13 -4.90 120.40 122.51 1jkf s VAL 36 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1jkf s VAL 36 Cb -0.04 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1jkf s VAL 36 CO -0.11 0.58 -0.04 0.54 0.00 0.00 0.00 175.10 176.07 1jkf s VAL 37 N -0.69 0.36 0.22 2.92 0.11 -1.26 0.22 120.40 122.28 1jkf s VAL 37 Ca 0.13 -0.13 0.09 0.00 -2.93 0.00 0.00 61.98 59.15 1jkf s VAL 37 Cb -0.12 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1jkf s VAL 37 CO 0.03 0.14 -0.08 0.42 -3.33 0.00 0.00 175.10 172.28 1jkf s THR 38 N 0.32 3.20 -0.20 5.04 -4.23 -0.17 -4.91 115.64 114.69 1jkf s THR 38 Ca -0.03 -1.81 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1jkf s THR 38 Cb -0.07 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.16 1jkf s THR 38 CO -0.00 -0.22 -0.15 -0.75 -0.54 0.00 0.00 174.62 172.96 1jkf s LYS 39 N -3.16 2.97 0.30 3.99 2.20 -1.26 -0.26 119.74 124.51 1jkf s LYS 39 Ca 0.27 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 1jkf s LYS 39 Cb -0.08 -2.73 -0.10 0.00 -1.51 0.00 0.00 37.83 33.41 1jkf s LYS 39 CO 0.17 -0.27 1.22 -0.08 -0.36 0.00 0.00 175.35 176.03 1jkf s THR 40 N 1.31 3.08 -0.56 3.43 -1.32 0.14 -4.86 115.64 116.87 1jkf s THR 40 Ca 0.03 1.08 -0.27 0.00 -1.21 0.00 0.00 61.69 61.32 1jkf s THR 40 Cb -0.14 -3.68 -0.26 0.00 -1.51 0.00 0.00 72.50 66.90 1jkf s THR 40 CO -0.09 0.25 1.82 0.00 -2.21 0.00 0.00 174.62 174.39 1jkf n ALA 41 N 1.10 1.37 0.02 11.08 0.00 -1.26 0.27 120.51 133.10 1jkf n ALA 41 Ca -0.00 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.67 1jkf n ALA 41 Cb 0.43 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.28 1jkf n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jkf n SER 42 N 11.74 -0.44 0.00 0.00 2.88 -1.26 -5.06 113.62 121.48 1jkf n SER 42 Ca 0.46 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1jkf n SER 42 Cb 0.43 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.68 1jkf n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jkf n GLY 43 N -1.06 -0.82 2.36 0.46 0.00 0.14 -5.15 105.19 101.12 1jkf n GLY 43 Ca 0.00 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 1jkf n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jkf n ARG 44 N 0.00 0.00 -4.20 1.61 0.63 -1.26 -4.14 116.66 109.30 1jkf n ARG 44 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1jkf n ARG 44 Cb 0.00 -0.70 -0.11 0.00 0.45 0.00 0.00 32.46 32.10 1jkf n ARG 44 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1jkf s PHE 45 N -0.75 3.14 -0.33 -0.14 0.40 -1.26 0.24 117.98 119.28 1jkf s PHE 45 Ca 0.44 -0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.57 1jkf s PHE 45 Cb -0.63 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 40.90 1jkf s PHE 45 CO 0.39 0.05 0.14 -0.51 0.70 0.00 0.00 175.22 176.00 1jkf s ASP 46 N 0.38 5.44 -0.41 1.36 1.01 0.64 -4.93 116.67 120.15 1jkf s ASP 46 Ca -0.01 -0.83 -0.14 0.00 0.71 0.00 0.00 52.55 52.28 1jkf s ASP 46 Cb -0.13 -1.95 0.03 0.00 1.01 0.00 0.00 42.92 41.88 1jkf s ASP 46 CO 0.02 -0.27 0.30 -0.69 0.21 0.00 0.00 175.17 174.73 1jkf s VAL 47 N 1.53 5.15 -0.47 -1.27 1.01 -1.26 -1.00 120.40 124.09 1jkf s VAL 47 Ca 0.02 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1jkf s VAL 47 Cb -0.18 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1jkf s VAL 47 CO 0.05 -0.34 0.39 -0.89 0.00 0.00 0.00 175.10 174.31 1jkf s THR 48 N 1.65 5.18 1.13 3.92 2.01 0.59 -4.92 115.64 125.21 1jkf s THR 48 Ca 0.04 -1.07 -0.17 0.00 0.31 0.00 0.00 61.69 60.81 1jkf s THR 48 Cb -0.20 -4.09 0.20 0.00 0.01 0.00 0.00 72.50 68.42 1jkf s THR 48 CO 0.09 -0.57 0.36 -2.65 -0.69 0.00 0.00 174.62 171.16 1jkf n PRO 49 N 5.19 -2.58 -3.66 4.92 -0.02 -1.26 0.20 135.00 137.79 1jkf n PRO 49 Ca -0.12 -0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 60.50 1jkf n PRO 49 Cb 0.44 -1.65 -0.04 0.00 -0.02 0.00 0.00 33.50 32.22 1jkf n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jkf s THR 50 N -2.14 0.06 0.15 3.45 2.01 -0.36 -4.49 115.64 114.32 1jkf s THR 50 Ca 0.49 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 1jkf s THR 50 Cb -0.10 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.18 1jkf s THR 50 CO 0.48 -0.27 0.41 -0.69 -0.69 0.00 0.00 174.62 173.87 1jkf s VAL 51 N -3.82 0.06 0.00 3.82 1.01 -1.26 -2.40 120.40 117.81 1jkf s VAL 51 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1jkf s VAL 51 Cb 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1jkf s VAL 51 CO -0.10 -0.28 0.00 1.67 0.00 0.00 0.00 175.10 176.39 1jkf n GLN 52 N -0.25 0.00 -2.25 2.72 -0.06 -1.21 -4.97 117.38 111.36 1jkf n GLN 52 Ca -0.14 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.53 1jkf n GLN 52 Cb 0.63 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.80 1jkf n GLN 52 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1jkf s ASP 53 N 0.00 6.09 0.01 1.69 1.11 -1.26 -1.75 116.67 122.56 1jkf s ASP 53 Ca 0.00 1.81 -0.02 0.00 0.18 0.00 0.00 52.55 54.52 1jkf s ASP 53 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 1jkf s ASP 53 CO 0.00 -0.96 0.02 -0.31 1.18 0.00 0.00 175.17 175.10 1jkf s TYR 54 N -2.35 0.17 -0.26 4.23 1.51 0.13 -1.52 117.35 119.26 1jkf s TYR 54 Ca 0.64 -0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1jkf s TYR 54 Cb -0.15 -0.13 0.04 0.00 -0.11 0.00 0.00 41.96 41.61 1jkf s TYR 54 CO 0.31 -0.19 -0.07 0.08 -1.11 0.00 0.00 175.55 174.57 1jkf s VAL 55 N -1.27 2.69 0.04 0.71 1.01 0.15 0.10 120.40 123.83 1jkf s VAL 55 Ca -0.14 -1.24 -0.12 0.00 0.00 0.00 0.00 61.98 60.49 1jkf s VAL 55 Cb -0.08 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1jkf s VAL 55 CO -0.00 0.10 0.39 -0.36 0.00 0.00 0.00 175.10 175.23 1jkf s PHE 56 N 1.26 3.64 -0.15 5.22 0.08 0.35 0.81 117.98 129.19 1jkf s PHE 56 Ca -0.03 0.86 0.01 0.00 0.12 0.00 0.00 56.93 57.90 1jkf s PHE 56 Cb -0.18 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1jkf s PHE 56 CO -0.04 0.58 -0.17 0.21 -0.10 0.00 0.00 175.22 175.70 1jkf s LYS 57 N -1.53 2.56 -0.25 0.44 2.20 0.17 -0.00 119.74 123.33 1jkf s LYS 57 Ca 0.28 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 55.19 1jkf s LYS 57 Cb -0.15 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1jkf s LYS 57 CO 0.15 -0.16 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.79 1jkf s LEU 58 N 1.22 3.21 -0.33 5.43 0.20 -0.15 -1.87 118.68 126.38 1jkf s LEU 58 Ca 0.00 -0.71 -0.28 0.00 0.69 0.00 0.00 54.13 53.83 1jkf s LEU 58 Cb -0.14 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1jkf s LEU 58 CO -0.08 -0.11 1.97 -0.62 -0.29 0.00 0.00 176.35 177.22 1jkf s ASP 59 N 1.40 5.62 0.00 3.68 -1.08 -0.11 -1.90 116.67 124.27 1jkf s ASP 59 Ca 0.02 1.40 0.16 0.00 -0.52 0.00 0.00 52.55 53.61 1jkf s ASP 59 Cb -0.16 -2.52 0.95 0.00 -1.46 0.00 0.00 42.92 39.73 1jkf s ASP 59 CO -0.03 -1.91 1.45 0.18 0.52 0.00 0.00 175.17 175.38 1jkf n LEU 60 N 11.26 0.00 -4.18 -1.34 4.77 -1.14 -4.71 117.00 121.66 1jkf n LEU 60 Ca 0.26 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 1jkf n LEU 60 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1jkf n LEU 60 CO 0.68 0.00 -0.30 -1.59 -1.33 0.00 0.00 177.39 174.85 1jkf s LYS 61 N -2.00 2.36 0.09 3.23 0.00 -1.26 -4.91 119.74 117.24 1jkf s LYS 61 Ca 0.24 -1.37 -0.30 0.00 0.00 0.00 0.00 55.97 54.53 1jkf s LYS 61 Cb 0.11 -3.31 -0.06 0.00 0.00 0.00 0.00 37.83 34.57 1jkf s LYS 61 CO 0.18 -0.72 1.15 -1.59 0.00 0.00 0.00 175.35 174.37 1jkf s LYS 62 N 1.25 4.49 0.55 1.78 -2.85 -1.26 -4.98 119.74 118.71 1jkf s LYS 62 Ca -0.02 1.72 -0.19 0.00 -1.00 0.00 0.00 55.97 56.48 1jkf s LYS 62 Cb -0.20 -3.34 -0.09 0.00 -2.06 0.00 0.00 37.83 32.14 1jkf s LYS 62 CO -0.01 -0.14 0.58 -2.30 0.10 0.00 0.00 175.35 173.58 1jkf n PRO 63 N 3.49 0.59 0.10 1.78 -0.02 -1.26 -4.86 135.00 134.82 1jkf n PRO 63 Ca 0.07 0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1jkf n PRO 63 Cb 0.47 -1.73 0.01 0.00 -0.02 0.00 0.00 33.50 32.23 1jkf n PRO 63 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jkf h GLU 64 N 0.39 0.00 -2.72 -0.52 5.08 -1.95 -3.43 114.58 111.44 1jkf h GLU 64 Ca -0.45 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.58 1jkf h GLU 64 Cb 1.39 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.28 1jkf h GLU 64 CO 0.48 0.76 -0.64 0.15 -1.00 0.00 0.00 179.01 178.76 1jkf s LYS 65 N -3.03 0.14 -0.23 2.33 3.01 -1.26 -4.85 119.74 115.85 1jkf s LYS 65 Ca 0.01 0.27 -0.17 0.00 -1.01 0.00 0.00 55.97 55.07 1jkf s LYS 65 Cb 0.10 -1.03 -0.03 0.00 -1.01 0.00 0.00 37.83 35.86 1jkf s LYS 65 CO 0.78 -0.57 0.48 -1.17 0.51 0.00 0.00 175.35 175.38 1jkf s LEU 66 N 2.30 4.10 -0.08 3.17 0.20 -0.83 -4.71 118.68 122.83 1jkf s LEU 66 Ca 0.05 0.55 -0.26 0.00 0.69 0.00 0.00 54.13 55.16 1jkf s LEU 66 Cb -0.15 -2.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.96 1jkf s LEU 66 CO -0.10 -0.20 0.81 -0.83 -0.29 0.00 0.00 176.35 175.73 1jkf s GLY 67 N 1.32 2.53 -0.08 7.98 0.00 -0.94 -0.33 107.32 117.80 1jkf s GLY 67 Ca 0.21 0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.18 1jkf s GLY 67 CO 0.09 1.45 -0.24 -0.42 0.00 0.00 0.00 173.10 173.98 1jkf s ILE 68 N 1.26 2.11 -0.34 0.90 1.09 0.34 -0.03 121.20 126.52 1jkf s ILE 68 Ca 0.41 -1.03 0.03 0.00 -1.10 0.00 0.00 60.65 58.97 1jkf s ILE 68 Cb -0.18 -1.78 0.10 0.00 -1.06 0.00 0.00 42.46 39.54 1jkf s ILE 68 CO 0.19 0.56 0.07 -0.04 -0.10 0.00 0.00 174.94 175.62 1jkf s MET 69 N 0.09 1.33 -0.08 2.79 -1.94 -0.11 -2.05 119.30 119.33 1jkf s MET 69 Ca -0.11 -1.73 -0.25 0.00 -1.71 0.00 0.00 55.69 51.88 1jkf s MET 69 Cb -0.16 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1jkf s MET 69 CO 0.06 -0.96 0.79 -0.51 -0.01 0.00 0.00 175.02 174.40 1jkf s LEU 70 N 1.01 4.29 -0.24 -0.03 1.02 -0.83 -2.00 118.68 121.90 1jkf s LEU 70 Ca 0.11 1.28 -0.17 0.00 0.02 0.00 0.00 54.13 55.36 1jkf s LEU 70 Cb -0.19 -3.22 -0.03 0.00 0.02 0.00 0.00 46.19 42.77 1jkf s LEU 70 CO -0.11 -0.22 0.48 -0.63 0.02 0.00 0.00 176.35 175.88 1jkf s ILE 71 N 1.21 5.11 0.00 -0.59 1.01 -0.63 -0.28 121.20 127.03 1jkf s ILE 71 Ca 0.41 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1jkf s ILE 71 Cb -0.18 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1jkf s ILE 71 CO 0.19 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1jkf n GLY 72 N 4.29 1.60 0.09 6.18 0.00 0.54 -0.85 105.19 117.04 1jkf n GLY 72 Ca -0.05 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1jkf n GLY 72 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jkf n LEU 73 N -0.00 0.34 -0.22 0.99 -0.00 0.13 -1.79 117.00 116.45 1jkf n LEU 73 Ca 0.00 0.65 0.11 0.00 -0.00 0.00 0.00 56.01 56.77 1jkf n LEU 73 Cb 0.11 -0.67 0.06 0.00 -0.00 0.00 0.00 43.42 42.92 1jkf n LEU 73 CO 0.00 -0.71 0.27 0.61 -0.00 0.00 0.00 177.39 177.55 1jkf n GLY 74 N -1.15 -0.59 2.79 -3.96 0.00 -1.26 -3.29 105.19 97.73 1jkf n GLY 74 Ca -0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1jkf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkf n GLY 75 N 1.44 -2.62 0.23 -0.02 0.00 -0.74 -4.69 105.19 98.81 1jkf n GLY 75 Ca 0.07 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 1jkf n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jkf h ASN 76 N -2.30 0.69 -0.12 1.61 4.21 -1.91 -1.97 115.58 115.80 1jkf h ASN 76 Ca -0.33 -0.14 -0.06 0.00 1.21 0.00 0.00 56.30 56.99 1jkf h ASN 76 Cb 0.99 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.01 1jkf h ASN 76 CO 0.21 0.64 -0.17 0.78 -1.29 0.00 0.00 177.43 177.60 1jkf h ASN 77 N 0.71 0.35 -0.16 5.81 2.35 -1.91 -2.44 115.58 120.29 1jkf h ASN 77 Ca 0.18 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1jkf h ASN 77 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1jkf h ASN 77 CO -0.02 0.81 0.11 1.23 -1.65 0.00 0.00 177.43 177.90 1jkf h GLY 78 N -0.09 0.23 0.97 2.83 0.00 -1.73 0.18 103.07 105.45 1jkf h GLY 78 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1jkf h GLY 78 CO 0.04 0.09 0.04 1.48 0.00 0.00 0.00 176.54 178.19 1jkf h SER 79 N 0.21 0.75 0.96 0.19 4.64 -1.34 -2.25 113.55 116.71 1jkf h SER 79 Ca 0.06 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1jkf h SER 79 Cb -0.02 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1jkf h SER 79 CO -0.01 0.85 0.00 1.07 -0.87 0.00 0.00 176.83 177.86 1jkf n THR 80 N -4.42 0.75 0.10 2.95 5.66 -0.92 -2.02 114.28 116.38 1jkf n THR 80 Ca 0.00 0.07 -0.11 0.00 -3.05 0.00 0.00 64.05 60.96 1jkf n THR 80 Cb 0.27 -0.97 -0.07 0.00 -1.55 0.00 0.00 70.33 68.01 1jkf n THR 80 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1jkf h LEU 81 N 0.00 -0.26 -0.61 1.09 6.46 -0.39 -1.23 115.31 120.37 1jkf h LEU 81 Ca 0.00 -0.26 0.11 0.00 -0.12 0.00 0.00 57.88 57.61 1jkf h LEU 81 Cb 0.48 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.40 1jkf h LEU 81 CO 0.00 0.23 0.15 0.58 -0.62 0.00 0.00 178.44 178.78 1jkf h VAL 82 N -0.87 0.67 -0.07 1.05 2.07 -1.29 -0.03 116.25 117.77 1jkf h VAL 82 Ca -0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1jkf h VAL 82 Cb 0.51 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1jkf h VAL 82 CO 0.05 0.05 -0.08 0.00 0.02 0.00 0.00 177.57 177.61 1jkf h ALA 83 N 1.47 1.73 0.00 1.67 0.00 -1.40 -0.60 119.26 122.13 1jkf h ALA 83 Ca 0.32 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1jkf h ALA 83 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1jkf h ALA 83 CO -0.38 0.20 -0.64 0.66 0.00 0.00 0.00 179.25 179.09 1jkf h SER 84 N 0.10 0.00 0.04 0.00 4.64 0.24 0.52 113.55 119.09 1jkf h SER 84 Ca 0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1jkf h SER 84 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1jkf h SER 84 CO 0.01 0.64 -0.45 0.58 -0.87 0.00 0.00 176.83 176.74 1jkf h VAL 85 N 0.00 1.56 -0.47 0.95 2.07 -0.76 -2.76 116.25 116.84 1jkf h VAL 85 Ca -0.01 -2.22 -0.04 0.00 0.82 0.00 0.00 66.70 65.25 1jkf h VAL 85 Cb 1.19 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.91 1jkf h VAL 85 CO 0.08 0.62 0.11 -0.07 0.02 0.00 0.00 177.57 178.33 1jkf h LEU 86 N -0.47 0.65 -0.24 2.57 4.07 -1.10 -0.48 115.31 120.31 1jkf h LEU 86 Ca -0.07 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.75 1jkf h LEU 86 Cb 1.26 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1jkf h LEU 86 CO 0.09 0.65 0.01 0.00 -1.08 0.00 0.00 178.44 178.11 1jkf h ALA 87 N 1.44 0.32 0.03 1.53 0.00 -0.94 -2.43 119.26 119.21 1jkf h ALA 87 Ca 0.15 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1jkf h ALA 87 Cb 0.26 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jkf h ALA 87 CO -0.00 0.04 -0.84 -0.91 0.00 0.00 0.00 179.25 177.54 1jkf h ASN 88 N 0.20 0.69 -0.26 0.00 2.35 -1.35 -2.32 115.58 114.89 1jkf h ASN 88 Ca 0.07 -0.78 -0.01 0.00 -0.55 0.00 0.00 56.30 55.03 1jkf h ASN 88 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1jkf h ASN 88 CO 0.01 1.38 0.12 0.50 -1.65 0.00 0.00 177.43 177.79 1jkf h LYS 89 N 0.08 0.38 -0.53 0.81 3.64 -1.16 -3.05 116.57 116.74 1jkf h LYS 89 Ca -0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1jkf h LYS 89 Cb 1.54 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1jkf h LYS 89 CO 0.16 0.39 0.00 0.72 -2.27 0.00 0.00 179.45 178.45 1jkf n HIS 90 N -4.80 0.79 -0.88 1.91 8.25 -0.92 -4.93 115.22 114.64 1jkf n HIS 90 Ca -0.03 -0.35 -0.02 0.00 -0.26 0.00 0.00 57.72 57.06 1jkf n HIS 90 Cb 0.11 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 1jkf n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jkf n ASN 91 N 0.83 -4.69 -4.47 0.41 4.13 -1.00 -4.85 115.26 105.62 1jkf n ASN 91 Ca 0.17 0.05 -0.12 0.00 1.68 0.00 0.00 54.58 56.36 1jkf n ASN 91 Cb 0.50 -3.01 -0.10 0.00 -1.54 0.00 0.00 39.78 35.63 1jkf n ASN 91 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1jkf n VAL 92 N -1.65 0.00 -2.14 2.41 3.14 -0.91 -4.78 118.33 114.40 1jkf n VAL 92 Ca -0.02 -0.29 -0.36 0.00 -2.96 0.00 0.00 64.34 60.71 1jkf n VAL 92 Cb 0.41 -1.44 0.01 0.00 -1.06 0.00 0.00 33.84 31.77 1jkf n VAL 92 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1jkf s GLU 93 N 7.91 3.26 0.10 1.45 -1.05 -1.26 -4.65 118.70 124.46 1jkf s GLU 93 Ca 0.77 1.75 0.07 0.00 -0.15 0.00 0.00 54.97 57.41 1jkf s GLU 93 Cb -0.16 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 1jkf s GLU 93 CO 0.17 -0.96 -0.17 -0.59 0.95 0.00 0.00 175.26 174.66 1jkf s PHE 94 N -1.64 1.51 0.41 4.83 -0.71 -0.83 -4.96 117.98 116.58 1jkf s PHE 94 Ca 0.73 -0.46 -0.22 0.00 -1.04 0.00 0.00 56.93 55.94 1jkf s PHE 94 Cb -0.28 -0.82 -0.10 0.00 -1.21 0.00 0.00 43.02 40.61 1jkf s PHE 94 CO 0.31 0.15 0.96 -0.65 -1.34 0.00 0.00 175.22 174.66 1jkf s GLN 95 N -2.05 4.27 0.12 1.99 -1.52 -1.26 -0.86 119.66 120.35 1jkf s GLN 95 Ca 0.04 1.21 -0.06 0.00 -1.95 0.00 0.00 55.36 54.61 1jkf s GLN 95 Cb -0.09 -2.34 -0.02 0.00 -0.22 0.00 0.00 33.01 30.34 1jkf s GLN 95 CO 0.03 0.00 0.18 0.99 -0.25 0.00 0.00 175.29 176.24 1jkf s THR 96 N -2.00 0.11 0.64 -0.19 2.01 0.11 -4.59 115.64 111.72 1jkf s THR 96 Ca 0.59 -1.48 0.35 0.00 0.31 0.00 0.00 61.69 61.46 1jkf s THR 96 Cb -0.13 -1.71 0.37 0.00 0.01 0.00 0.00 72.50 71.05 1jkf s THR 96 CO 0.17 -0.50 2.15 0.50 -0.69 0.00 0.00 174.62 176.25 1jkf h LYS 97 N 2.73 0.00 -0.33 4.92 3.64 -2.03 -0.62 116.57 124.87 1jkf h LYS 97 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1jkf h LYS 97 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1jkf h LYS 97 CO 0.54 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.11 1jkf n GLU 98 N -3.33 3.33 0.00 1.90 4.71 -1.26 -5.08 120.64 120.91 1jkf n GLU 98 Ca -0.01 -2.89 0.00 0.00 -0.01 0.00 0.00 57.16 54.25 1jkf n GLU 98 Cb 0.24 -1.92 0.00 0.00 -1.01 0.00 0.00 31.44 28.76 1jkf n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jkf n GLY 99 N -0.24 -0.58 3.73 0.62 0.00 -0.24 -4.99 105.19 103.49 1jkf n GLY 99 Ca 0.22 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 1jkf n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkf s VAL 100 N 0.00 5.12 -0.02 1.61 0.11 -1.26 0.03 120.40 125.99 1jkf s VAL 100 Ca 0.00 1.06 0.06 0.00 -2.93 0.00 0.00 61.98 60.17 1jkf s VAL 100 Cb 0.00 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 1jkf s VAL 100 CO 0.00 0.34 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.36 1jkf s LYS 101 N 0.44 1.84 0.36 1.54 1.02 -0.04 -4.97 119.74 119.93 1jkf s LYS 101 Ca 0.28 -0.77 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 1jkf s LYS 101 Cb -0.16 -1.73 -0.10 0.00 -0.52 0.00 0.00 37.83 35.32 1jkf s LYS 101 CO 0.13 0.44 0.87 -0.65 -0.92 0.00 0.00 175.35 175.21 1jkf s GLN 102 N -0.42 4.22 0.79 1.68 -1.52 -1.26 -1.97 119.66 121.18 1jkf s GLN 102 Ca 0.06 1.00 -0.11 0.00 -1.95 0.00 0.00 55.36 54.36 1jkf s GLN 102 Cb -0.09 -2.41 0.07 0.00 -0.22 0.00 0.00 33.01 30.35 1jkf s GLN 102 CO -0.00 0.11 1.09 -1.25 -0.25 0.00 0.00 175.29 174.98 1jkf s PRO 103 N -2.84 2.12 0.00 2.91 0.04 -1.26 -4.97 135.00 131.01 1jkf s PRO 103 Ca 0.56 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1jkf s PRO 103 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1jkf s PRO 103 CO 0.17 -1.65 0.00 0.27 0.04 0.00 0.00 177.00 175.82 1jkf n ASN 104 N -3.49 0.00 -1.26 6.66 2.04 -1.26 -4.95 115.26 113.00 1jkf n ASN 104 Ca 0.08 -0.73 0.04 0.00 -0.44 0.00 0.00 54.58 53.52 1jkf n ASN 104 Cb 0.55 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.88 1jkf n ASN 104 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1jkf n TYR 105 N 0.00 0.07 -1.44 -2.53 4.01 -1.26 -4.90 117.16 111.11 1jkf n TYR 105 Ca 0.00 -0.89 -0.41 0.00 -0.16 0.00 0.00 57.90 56.45 1jkf n TYR 105 Cb 0.00 -0.19 0.01 0.00 -0.31 0.00 0.00 39.34 38.86 1jkf n TYR 105 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jkf n PHE 106 N -0.06 -0.70 -0.24 -0.72 0.99 -1.26 -1.92 117.46 113.55 1jkf n PHE 106 Ca 0.11 0.56 0.00 0.00 -0.00 0.00 0.00 57.45 58.11 1jkf n PHE 106 Cb 0.99 -1.96 0.00 0.00 -1.00 0.00 0.00 39.48 37.51 1jkf n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jkf n GLY 107 N 1.83 1.01 3.71 1.37 0.00 -1.26 -4.82 105.19 107.03 1jkf n GLY 107 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1jkf n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jkf s SER 108 N -2.95 5.67 0.01 1.61 0.15 -0.81 -4.29 113.70 113.10 1jkf s SER 108 Ca 0.00 0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.68 1jkf s SER 108 Cb 0.00 -1.83 -0.35 0.00 -1.71 0.00 0.00 66.02 62.14 1jkf s SER 108 CO 0.00 0.30 0.95 -0.03 1.20 0.00 0.00 173.24 175.66 1jkf h MET 109 N 5.77 0.50 -0.44 5.44 4.05 -1.89 -1.51 114.93 126.84 1jkf h MET 109 Ca -0.46 -0.86 -0.04 0.00 -0.28 0.00 0.00 59.70 58.06 1jkf h MET 109 Cb 1.19 0.32 -0.02 0.00 -0.80 0.00 0.00 31.60 32.29 1jkf h MET 109 CO 0.62 1.41 0.11 1.79 0.23 0.00 0.00 176.91 181.07 1jkf h THR 110 N 0.07 1.23 0.00 -0.77 1.35 -1.93 -3.02 112.91 109.84 1jkf h THR 110 Ca -0.25 -0.80 -0.15 0.00 -0.55 0.00 0.00 66.41 64.65 1jkf h THR 110 Cb 2.10 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 1jkf h THR 110 CO 0.25 0.28 -0.94 1.56 -0.25 0.00 0.00 175.52 176.42 1jkf h GLN 111 N 0.58 0.00 0.00 4.72 1.08 -1.90 -3.31 115.11 116.28 1jkf h GLN 111 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1jkf h GLN 111 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1jkf h GLN 111 CO 0.00 0.52 -0.39 0.00 -0.95 0.00 0.00 178.83 178.01 1jkf s SER 113 N -1.01 4.91 0.35 0.00 1.04 -1.14 -4.95 113.70 112.89 1jkf s SER 113 Ca 0.00 0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.98 1jkf s SER 113 Cb 0.00 -1.19 -0.07 0.00 0.10 0.00 0.00 66.02 64.86 1jkf s SER 113 CO 0.00 -1.54 0.05 0.42 0.98 0.00 0.00 173.24 173.15 1jkf s THR 114 N -3.22 1.38 0.03 2.02 -4.23 -1.26 -1.70 115.64 108.65 1jkf s THR 114 Ca 0.59 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1jkf s THR 114 Cb -0.11 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1jkf s THR 114 CO 0.45 0.00 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.68 1jkf s LEU 115 N -3.54 2.16 0.08 4.79 1.43 -0.05 -4.74 118.68 118.80 1jkf s LEU 115 Ca 0.36 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1jkf s LEU 115 Cb 0.09 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 45.94 1jkf s LEU 115 CO 0.16 -0.06 1.09 -0.75 0.23 0.00 0.00 176.35 177.02 1jkf s LYS 116 N -1.04 4.53 -0.21 1.70 2.20 -1.26 0.32 119.74 125.98 1jkf s LYS 116 Ca -0.03 1.63 0.04 0.00 -0.36 0.00 0.00 55.97 57.25 1jkf s LYS 116 Cb -0.07 -3.36 -0.16 0.00 -1.51 0.00 0.00 37.83 32.73 1jkf s LYS 116 CO 0.00 -0.07 -0.15 1.28 -0.36 0.00 0.00 175.35 176.06 1jkf n LEU 117 N 3.41 2.43 0.00 5.43 4.77 0.52 -4.92 117.00 128.63 1jkf n LEU 117 Ca 0.06 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1jkf n LEU 117 Cb 0.48 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1jkf n LEU 117 CO 0.54 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 1jkf n GLY 118 N 2.35 -1.12 1.78 -0.72 0.00 -1.18 -5.04 105.19 101.25 1jkf n GLY 118 Ca -0.37 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1jkf n GLY 118 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jkf n ILE 119 N 6.43 0.00 -4.11 -0.61 -5.35 -1.26 -0.09 119.36 114.36 1jkf n ILE 119 Ca 0.00 -0.88 -0.06 0.00 -0.27 0.00 0.00 62.75 61.54 1jkf n ILE 119 Cb 0.00 -0.77 -0.01 0.00 -1.74 0.00 0.00 39.64 37.12 1jkf n ILE 119 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1jkf n ASP 120 N -2.67 1.24 -0.34 7.28 5.75 -1.12 -4.81 116.55 121.88 1jkf n ASP 120 Ca 0.07 -1.46 0.05 0.00 -0.01 0.00 0.00 54.79 53.44 1jkf n ASP 120 Cb 0.27 0.19 0.13 0.00 -1.03 0.00 0.00 41.12 40.68 1jkf n ASP 120 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jkf h ALA 121 N 1.13 0.60 -0.01 2.12 0.00 -2.02 0.14 119.26 121.23 1jkf h ALA 121 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jkf h ALA 121 Cb 0.26 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1jkf h ALA 121 CO 0.11 -0.40 -0.15 0.39 0.00 0.00 0.00 179.25 179.20 1jkf n GLU 122 N -5.60 0.74 -0.41 0.00 4.71 -1.26 -4.92 120.64 113.90 1jkf n GLU 122 Ca 0.15 -0.32 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 1jkf n GLU 122 Cb 0.47 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1jkf n GLU 122 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jkf n GLY 123 N 1.30 0.76 3.78 0.62 0.00 0.49 -5.06 105.19 107.07 1jkf n GLY 123 Ca 0.14 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1jkf n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jkf s ASN 124 N -2.31 6.51 0.57 1.61 0.01 -1.26 -4.72 114.94 115.34 1jkf s ASN 124 Ca 0.00 0.60 -0.18 0.00 -0.71 0.00 0.00 52.86 52.57 1jkf s ASN 124 Cb 0.00 -2.17 -0.13 0.00 0.41 0.00 0.00 41.25 39.36 1jkf s ASN 124 CO 0.00 0.21 0.01 0.47 -1.51 0.00 0.00 177.10 176.28 1jkf n ASP 125 N 2.85 -3.12 -3.62 -1.22 10.43 -1.26 -2.79 116.55 117.83 1jkf n ASP 125 Ca -0.14 0.63 -0.23 0.00 2.57 0.00 0.00 54.79 57.62 1jkf n ASP 125 Cb 0.53 -0.94 -0.17 0.00 1.84 0.00 0.00 41.12 42.38 1jkf n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1jkf s VAL 126 N -1.93 -0.13 0.32 2.53 1.01 0.86 -4.84 120.40 118.22 1jkf s VAL 126 Ca 0.59 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.65 1jkf s VAL 126 Cb -0.45 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1jkf s VAL 126 CO 0.64 -0.14 0.33 -0.31 0.00 0.00 0.00 175.10 175.62 1jkf s TYR 127 N 2.17 3.02 0.03 5.22 1.51 -1.26 -0.36 117.35 127.69 1jkf s TYR 127 Ca 0.03 -0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1jkf s TYR 127 Cb -0.15 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1jkf s TYR 127 CO -0.08 0.20 0.07 0.00 -1.11 0.00 0.00 175.55 174.64 1jkf s ALA 128 N -2.23 -0.01 0.02 3.71 0.00 0.15 -4.88 121.76 118.53 1jkf s ALA 128 Ca 0.40 -0.58 -0.37 0.00 0.00 0.00 0.00 51.96 51.41 1jkf s ALA 128 Cb -0.07 0.23 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 1jkf s ALA 128 CO 0.28 -0.29 1.48 -2.30 0.00 0.00 0.00 175.76 174.92 1jkf n PRO 129 N 0.88 1.34 0.25 0.00 -0.02 -1.26 -0.88 135.00 135.32 1jkf n PRO 129 Ca -0.20 0.49 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1jkf n PRO 129 Cb 0.58 -2.16 0.33 0.00 -0.02 0.00 0.00 33.50 32.22 1jkf n PRO 129 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1jkf h PHE 130 N 5.50 0.00 -0.10 6.00 3.57 -1.56 0.89 116.94 131.24 1jkf h PHE 130 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1jkf h PHE 130 Cb 1.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1jkf h PHE 130 CO 0.65 0.00 0.00 0.27 -2.23 0.00 0.00 178.31 177.00 1jkf n ASN 131 N -2.32 2.66 -0.01 0.41 6.94 -1.25 -4.61 115.26 117.09 1jkf n ASN 131 Ca -0.01 -2.66 -0.13 0.00 -0.02 0.00 0.00 54.58 51.76 1jkf n ASN 131 Cb 0.58 -0.32 -0.14 0.00 -2.36 0.00 0.00 39.78 37.54 1jkf n ASN 131 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jkf n SER 132 N -0.76 1.33 0.00 0.53 3.41 0.31 -4.51 113.62 113.93 1jkf n SER 132 Ca 0.13 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1jkf n SER 132 Cb 0.57 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1jkf n SER 132 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jkf n LEU 133 N -3.20 0.00 -4.79 1.04 4.32 -1.25 -3.73 117.00 109.39 1jkf n LEU 133 Ca -0.23 0.83 -0.22 0.00 -0.02 0.00 0.00 56.01 56.37 1jkf n LEU 133 Cb 1.05 -0.33 -0.05 0.00 -1.62 0.00 0.00 43.42 42.47 1jkf n LEU 133 CO 0.44 -0.33 -0.16 -0.76 -1.22 0.00 0.00 177.39 175.36 1jkf s LEU 134 N -3.68 3.48 -0.22 2.23 1.43 -1.26 -4.55 118.68 116.11 1jkf s LEU 134 Ca 0.00 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1jkf s LEU 134 Cb 0.00 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1jkf s LEU 134 CO 0.00 -0.25 1.08 -2.16 0.23 0.00 0.00 176.35 175.25 1jkf s PRO 135 N -3.89 4.26 0.11 1.29 0.04 -1.26 -4.87 135.00 130.68 1jkf s PRO 135 Ca 0.38 1.41 0.10 0.00 0.04 0.00 0.00 61.00 62.93 1jkf s PRO 135 Cb -0.05 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1jkf s PRO 135 CO 0.24 -0.64 -0.24 -1.64 0.04 0.00 0.00 177.00 174.77 1jkf s MET 136 N 3.22 1.58 0.26 4.56 -1.94 -1.26 -4.81 119.30 120.91 1jkf s MET 136 Ca 0.46 -1.26 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 1jkf s MET 136 Cb -0.16 -1.98 -0.09 0.00 2.01 0.00 0.00 34.83 34.60 1jkf s MET 136 CO 0.08 0.47 1.25 0.54 -0.01 0.00 0.00 175.02 177.35 1jkf s VAL 137 N -1.06 3.14 0.19 -6.03 0.11 -1.26 -5.00 120.40 110.49 1jkf s VAL 137 Ca 0.15 1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.95 1jkf s VAL 137 Cb -0.10 -3.67 -0.08 0.00 -1.53 0.00 0.00 36.38 31.00 1jkf s VAL 137 CO 0.07 0.21 0.92 -0.55 -3.33 0.00 0.00 175.10 172.42 1jkf s SER 138 N -0.21 7.56 0.54 3.54 0.15 -1.26 -4.90 113.70 119.12 1jkf s SER 138 Ca 0.51 1.85 0.24 0.00 0.70 0.00 0.00 55.95 59.25 1jkf s SER 138 Cb -0.36 -2.59 1.41 0.00 -1.71 0.00 0.00 66.02 62.77 1jkf s SER 138 CO 0.43 0.09 2.05 1.55 1.20 0.00 0.00 173.24 178.57 1jkf h PRO 139 N 4.64 0.00 0.00 5.44 0.13 -1.95 0.26 132.00 140.53 1jkf h PRO 139 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jkf h PRO 139 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jkf h PRO 139 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 1jkf n ASN 140 N -4.31 0.13 -1.05 1.44 5.03 -1.26 -1.25 115.26 113.99 1jkf n ASN 140 Ca 0.05 0.54 0.08 0.00 0.87 0.00 0.00 54.58 56.13 1jkf n ASN 140 Cb 0.43 -0.57 0.28 0.00 -1.02 0.00 0.00 39.78 38.90 1jkf n ASN 140 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1jkf n ASP 141 N -1.66 4.13 -4.75 6.41 8.00 0.92 -4.83 116.55 124.77 1jkf n ASP 141 Ca 0.02 -2.91 -0.40 0.00 0.71 0.00 0.00 54.79 52.21 1jkf n ASP 141 Cb 0.11 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1jkf n ASP 141 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jkf s PHE 142 N -2.64 3.94 -0.42 1.24 2.99 -0.38 -1.97 117.98 120.74 1jkf s PHE 142 Ca 0.43 1.90 0.03 0.00 0.00 0.00 0.00 56.93 59.29 1jkf s PHE 142 Cb 0.34 -3.00 0.11 0.00 0.00 0.00 0.00 43.02 40.47 1jkf s PHE 142 CO 0.11 0.37 0.15 0.08 -0.00 0.00 0.00 175.22 175.93 1jkf s VAL 143 N -1.20 2.50 0.17 -0.44 1.01 0.55 -4.91 120.40 118.08 1jkf s VAL 143 Ca 0.42 -2.70 0.03 0.00 0.00 0.00 0.00 61.98 59.72 1jkf s VAL 143 Cb -0.26 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1jkf s VAL 143 CO 0.32 -0.69 0.31 -0.69 0.00 0.00 0.00 175.10 174.36 1jkf s VAL 144 N 0.45 5.30 0.00 2.92 1.01 -1.26 -0.50 120.40 128.32 1jkf s VAL 144 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1jkf s VAL 144 Cb -0.22 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1jkf s VAL 144 CO -0.05 -0.15 0.00 -0.24 0.00 0.00 0.00 175.10 174.66 1jkf n SER 145 N -0.76 0.00 0.00 3.32 2.88 -0.87 -4.95 113.62 113.24 1jkf n SER 145 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1jkf n SER 145 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1jkf n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jkf n GLY 146 N 0.00 0.73 3.61 0.46 0.00 -1.26 -1.96 105.19 106.76 1jkf n GLY 146 Ca 0.00 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 43.98 1jkf n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jkf s TRP 147 N -2.84 2.20 -0.30 1.61 0.51 0.61 -1.97 118.94 118.77 1jkf s TRP 147 Ca 0.00 -0.84 -0.17 0.00 -2.12 0.00 0.00 56.10 52.97 1jkf s TRP 147 Cb 0.00 -1.59 0.19 0.00 -0.81 0.00 0.00 33.47 31.26 1jkf s TRP 147 CO 0.00 0.25 1.18 0.34 -0.51 0.00 0.00 176.95 178.21 1jkf s ASP 148 N -3.69 -0.21 0.00 2.95 2.15 -1.12 0.21 116.67 116.96 1jkf s ASP 148 Ca 0.28 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.58 1jkf s ASP 148 Cb 0.07 1.17 0.00 0.00 -0.30 0.00 0.00 42.92 43.87 1jkf s ASP 148 CO 0.14 -0.05 0.12 2.30 -0.17 0.00 0.00 175.17 177.52 1jkf n ILE 149 N 3.99 0.00 -3.78 4.11 -6.64 -1.26 -3.98 119.36 111.80 1jkf n ILE 149 Ca -0.12 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.72 1jkf n ILE 149 Cb 0.56 -0.27 -0.15 0.00 -1.44 0.00 0.00 39.64 38.34 1jkf n ILE 149 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1jkf s ASN 150 N -1.39 0.00 -0.04 7.28 3.84 -1.26 -1.86 114.94 121.51 1jkf s ASN 150 Ca 0.00 0.11 0.06 0.00 0.21 0.00 0.00 52.86 53.24 1jkf s ASN 150 Cb 0.00 0.02 0.25 0.00 -0.55 0.00 0.00 41.25 40.97 1jkf s ASN 150 CO 0.00 -0.11 1.04 -0.46 -2.79 0.00 0.00 177.10 174.78 1jkf n ASN 151 N 3.94 1.98 -4.62 -4.21 0.23 -1.26 -4.88 115.26 106.44 1jkf n ASN 151 Ca -0.24 -2.16 -0.34 0.00 -0.53 0.00 0.00 54.58 51.30 1jkf n ASN 151 Cb 0.53 -0.37 0.11 0.00 -2.08 0.00 0.00 39.78 37.96 1jkf n ASN 151 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jkf n ALA 152 N 0.21 -0.52 -1.97 -2.53 0.00 -1.26 -4.85 120.51 109.58 1jkf n ALA 152 Ca 0.09 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1jkf n ALA 152 Cb 0.40 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 17.81 1jkf n ALA 152 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jkf s ASP 153 N -1.91 4.66 0.29 0.00 -4.77 -1.26 -4.54 116.67 109.14 1jkf s ASP 153 Ca 0.71 -0.08 0.24 0.00 -3.30 0.00 0.00 52.55 50.12 1jkf s ASP 153 Cb -0.30 -0.49 1.02 0.00 -1.09 0.00 0.00 42.92 42.06 1jkf s ASP 153 CO 0.53 -1.63 1.73 -0.07 0.70 0.00 0.00 175.17 176.44 1jkf h LEU 154 N -0.40 0.00 0.02 2.11 4.07 -1.38 0.22 115.31 119.95 1jkf h LEU 154 Ca -0.40 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.49 1jkf h LEU 154 Cb 1.28 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.03 1jkf h LEU 154 CO 0.47 0.00 -0.27 0.22 -1.08 0.00 0.00 178.44 177.78 1jkf h TYR 155 N 0.00 0.23 0.00 1.13 3.20 -1.79 -0.63 116.97 119.10 1jkf h TYR 155 Ca 0.00 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 1jkf h TYR 155 Cb 0.36 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1jkf h TYR 155 CO 0.00 1.02 -0.14 0.93 -1.64 0.00 0.00 178.16 178.33 1jkf h GLU 156 N -0.63 0.00 -0.15 1.82 5.08 -1.76 0.28 114.58 119.23 1jkf h GLU 156 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1jkf h GLU 156 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1jkf h GLU 156 CO 0.05 0.14 -0.16 0.00 -1.00 0.00 0.00 179.01 178.04 1jkf h ALA 157 N 1.86 0.22 -0.09 3.43 0.00 -0.47 -1.99 119.26 122.23 1jkf h ALA 157 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1jkf h ALA 157 Cb 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jkf h ALA 157 CO 0.02 0.12 -0.00 0.52 0.00 0.00 0.00 179.25 179.90 1jkf h MET 158 N -0.00 0.12 0.09 0.00 2.86 0.32 -2.68 114.93 115.64 1jkf h MET 158 Ca 0.02 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1jkf h MET 158 Cb 0.70 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1jkf h MET 158 CO 0.04 0.14 -0.04 1.96 1.06 0.00 0.00 176.91 180.07 1jkf h GLN 159 N 0.12 -0.11 0.00 1.72 4.20 -0.55 -2.99 115.11 117.51 1jkf h GLN 159 Ca 0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1jkf h GLN 159 Cb 0.10 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1jkf h GLN 159 CO 0.00 0.27 0.00 0.07 -0.67 0.00 0.00 178.83 178.50 1jkf h ARG 160 N -0.51 0.00 0.03 1.46 0.11 -1.21 -3.13 114.38 111.12 1jkf h ARG 160 Ca -0.01 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.81 1jkf h ARG 160 Cb 0.43 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 1jkf h ARG 160 CO 0.02 0.00 -1.35 0.77 0.10 0.00 0.00 179.97 179.51 1jkf h SER 161 N 0.00 0.12 -6.24 0.08 0.02 -1.49 -3.48 113.55 102.55 1jkf h SER 161 Ca 0.00 -0.16 -0.44 0.00 -0.84 0.00 0.00 61.79 60.35 1jkf h SER 161 Cb 0.51 -0.04 0.06 0.00 0.14 0.00 0.00 62.40 63.07 1jkf h SER 161 CO 0.00 1.13 -0.91 0.00 -1.14 0.00 0.00 176.83 175.91 1jkf n GLN 162 N -3.30 -2.26 -0.09 3.45 6.02 -1.13 -4.73 117.38 115.34 1jkf n GLN 162 Ca -0.09 0.48 -0.16 0.00 -0.01 0.00 0.00 57.00 57.22 1jkf n GLN 162 Cb 1.00 -4.43 -0.07 0.00 1.02 0.00 0.00 30.24 27.76 1jkf n GLN 162 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1jkf n VAL 163 N -4.21 0.96 -2.61 5.09 0.31 -1.26 -4.93 118.33 111.68 1jkf n VAL 163 Ca -0.17 -0.30 -0.27 0.00 -0.01 0.00 0.00 64.34 63.59 1jkf n VAL 163 Cb 0.63 -1.45 0.01 0.00 -0.91 0.00 0.00 33.84 32.12 1jkf n VAL 163 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jkf s LEU 164 N -6.52 3.53 0.35 7.52 2.01 -1.26 -5.04 118.68 119.27 1jkf s LEU 164 Ca -0.24 0.81 -0.28 0.00 0.01 0.00 0.00 54.13 54.43 1jkf s LEU 164 Cb 0.08 -3.73 -0.10 0.00 0.01 0.00 0.00 46.19 42.45 1jkf s LEU 164 CO 0.34 -0.71 1.36 -1.61 1.01 0.00 0.00 176.35 176.74 1jkf s GLU 165 N -4.79 4.27 0.18 1.70 0.41 -1.26 -4.82 118.70 114.40 1jkf s GLU 165 Ca 0.49 2.32 -0.24 0.00 -0.41 0.00 0.00 54.97 57.14 1jkf s GLU 165 Cb -0.10 -3.03 0.08 0.00 -1.78 0.00 0.00 34.13 29.29 1jkf s GLU 165 CO 0.44 -0.30 1.57 -0.92 -0.49 0.00 0.00 175.26 175.56 1jkf h TYR 166 N 3.25 -1.19 0.10 1.61 3.20 -1.97 0.10 116.97 122.08 1jkf h TYR 166 Ca -0.50 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.47 1jkf h TYR 166 Cb 1.23 0.61 -0.02 0.00 1.54 0.00 0.00 36.73 40.09 1jkf h TYR 166 CO 0.55 -0.41 -0.15 0.22 -1.64 0.00 0.00 178.16 176.73 1jkf h ASP 167 N -0.18 -0.42 -0.50 -2.11 -0.00 -1.92 -0.84 116.42 110.45 1jkf h ASP 167 Ca 0.21 0.05 0.10 0.00 -0.00 0.00 0.00 57.03 57.38 1jkf h ASP 167 Cb 0.56 0.16 -0.08 0.00 -0.00 0.00 0.00 39.33 39.96 1jkf h ASP 167 CO -0.72 -0.23 -0.01 0.25 -0.00 0.00 0.00 179.24 178.53 1jkf h LEU 168 N -0.31 -0.24 -1.37 2.28 5.85 -1.54 0.46 115.31 120.45 1jkf h LEU 168 Ca 0.02 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1jkf h LEU 168 Cb 0.32 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1jkf h LEU 168 CO -0.08 -0.08 0.51 -0.61 -0.34 0.00 0.00 178.44 177.84 1jkf h GLN 169 N 0.10 0.70 -0.44 1.25 4.15 -0.43 -1.84 115.11 118.60 1jkf h GLN 169 Ca 0.25 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.48 1jkf h GLN 169 Cb 0.38 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1jkf h GLN 169 CO -0.43 0.46 -0.29 1.96 -1.93 0.00 0.00 178.83 178.60 1jkf h GLN 170 N 0.72 0.96 0.00 1.69 1.08 0.13 -2.71 115.11 116.97 1jkf h GLN 170 Ca 0.36 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1jkf h GLN 170 Cb 0.43 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1jkf h GLN 170 CO -0.13 1.12 0.00 0.54 -0.95 0.00 0.00 178.83 179.40 1jkf n ARG 171 N -4.09 0.01 -0.02 1.46 1.74 -0.05 -2.65 116.66 113.07 1jkf n ARG 171 Ca -0.01 0.19 0.05 0.00 -0.77 0.00 0.00 57.85 57.31 1jkf n ARG 171 Cb 0.50 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.48 1jkf n ARG 171 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jkf n LEU 172 N -1.53 1.98 0.28 0.55 4.77 -1.08 -4.70 117.00 117.27 1jkf n LEU 172 Ca 0.04 -1.15 -0.17 0.00 -0.03 0.00 0.00 56.01 54.71 1jkf n LEU 172 Cb 0.22 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1jkf n LEU 172 CO 0.17 0.41 0.63 0.50 -1.33 0.00 0.00 177.39 177.77 1jkf h LYS 173 N 1.92 -0.79 -0.31 3.23 3.64 -1.25 0.64 116.57 123.65 1jkf h LYS 173 Ca 0.00 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1jkf h LYS 173 Cb 0.46 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 1jkf h LYS 173 CO 0.00 -0.53 -0.31 0.00 -2.27 0.00 0.00 179.45 176.34 1jkf h ALA 174 N -0.42 -0.22 -0.06 5.00 0.00 -1.84 0.16 119.26 121.88 1jkf h ALA 174 Ca -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jkf h ALA 174 Cb 0.69 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1jkf h ALA 174 CO 0.02 -0.74 -0.03 0.87 0.00 0.00 0.00 179.25 179.37 1jkf h LYS 175 N -0.29 0.12 0.00 0.00 1.79 -1.86 -3.23 116.57 113.10 1jkf h LYS 175 Ca 0.15 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1jkf h LYS 175 Cb 0.53 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1jkf h LYS 175 CO -0.47 0.51 0.00 -1.33 -1.08 0.00 0.00 179.45 177.08 1jkf n MET 176 N -4.79 0.02 0.11 3.15 2.81 0.22 -1.56 117.12 117.07 1jkf n MET 176 Ca -0.07 0.20 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 1jkf n MET 176 Cb 0.25 -1.53 0.46 0.00 -0.71 0.00 0.00 33.22 31.70 1jkf n MET 176 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1jkf n SER 177 N -1.56 0.62 0.11 7.83 7.64 0.55 -2.53 113.62 126.28 1jkf n SER 177 Ca 0.04 0.62 0.06 0.00 1.01 0.00 0.00 58.87 60.61 1jkf n SER 177 Cb 0.22 -0.77 0.01 0.00 -1.01 0.00 0.00 64.21 62.67 1jkf n SER 177 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jkf h LEU 178 N 0.00 0.00 -8.80 -3.43 3.38 -1.41 -3.45 115.31 101.60 1jkf h LEU 178 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1jkf h LEU 178 Cb 0.45 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 1jkf h LEU 178 CO 0.00 0.28 0.55 -0.69 0.09 0.00 0.00 178.44 178.68 1jkf s VAL 179 N -3.11 4.60 -0.19 1.22 1.01 -1.12 -5.01 120.40 117.78 1jkf s VAL 179 Ca 0.01 1.05 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 1jkf s VAL 179 Cb 0.08 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1jkf s VAL 179 CO 0.76 -0.56 -0.15 -0.75 0.00 0.00 0.00 175.10 174.39 1jkf s LYS 180 N 3.44 3.07 0.61 2.72 2.20 -1.26 -2.19 119.74 128.33 1jkf s LYS 180 Ca 0.36 -0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 55.00 1jkf s LYS 180 Cb -0.12 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 1jkf s LYS 180 CO 0.20 -0.22 1.22 -1.25 -0.36 0.00 0.00 175.35 174.94 1jkf s PRO 181 N 1.34 2.83 0.60 4.03 0.04 -1.26 -4.91 135.00 137.66 1jkf s PRO 181 Ca 0.05 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.86 1jkf s PRO 181 Cb -0.14 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1jkf s PRO 181 CO -0.10 -1.33 0.97 -0.51 0.04 0.00 0.00 177.00 176.08 1jkf s LEU 182 N -4.21 3.27 0.51 -3.56 1.43 -0.83 -4.83 118.68 110.46 1jkf s LEU 182 Ca 0.78 1.20 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 1jkf s LEU 182 Cb -0.32 -4.17 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 1jkf s LEU 182 CO 0.35 -0.89 1.27 -2.84 0.23 0.00 0.00 176.35 174.47 1jkf s PRO 183 N -5.09 3.39 0.46 1.29 0.02 -1.26 -2.79 135.00 131.02 1jkf s PRO 183 Ca 0.54 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.61 1jkf s PRO 183 Cb -0.11 -2.31 0.03 0.00 0.02 0.00 0.00 34.50 32.14 1jkf s PRO 183 CO 0.51 -0.93 0.25 0.45 -0.33 0.00 0.00 177.00 176.95 1jkf n SER 184 N -0.83 2.71 -4.72 2.53 2.88 0.20 -4.55 113.62 111.84 1jkf n SER 184 Ca 0.09 -2.71 -0.35 0.00 -1.33 0.00 0.00 58.87 54.57 1jkf n SER 184 Cb 0.46 0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1jkf n SER 184 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1jkf s ILE 185 N -2.41 5.39 -0.18 2.46 -5.25 -1.26 -0.99 121.20 118.96 1jkf s ILE 185 Ca 0.19 0.22 -0.03 0.00 -0.99 0.00 0.00 60.65 60.05 1jkf s ILE 185 Cb -0.02 -3.49 0.06 0.00 2.95 0.00 0.00 42.46 41.96 1jkf s ILE 185 CO 0.12 0.42 0.03 -0.47 -1.79 0.00 0.00 174.94 173.25 1jkf s TYR 186 N 0.51 1.04 -0.20 1.37 6.14 -1.26 -4.86 117.35 120.08 1jkf s TYR 186 Ca 0.09 -0.81 -0.06 0.00 0.64 0.00 0.00 57.07 56.92 1jkf s TYR 186 Cb -0.12 -1.02 -0.03 0.00 0.42 0.00 0.00 41.96 41.21 1jkf s TYR 186 CO -0.00 -0.59 0.04 0.71 0.64 0.00 0.00 175.55 176.35 1jkf s TYR 187 N 1.85 3.12 0.19 4.97 4.12 -1.26 -4.81 117.35 125.53 1jkf s TYR 187 Ca -0.00 -0.22 -0.11 0.00 0.02 0.00 0.00 57.07 56.75 1jkf s TYR 187 Cb -0.17 -2.11 0.11 0.00 -1.52 0.00 0.00 41.96 38.28 1jkf s TYR 187 CO -0.08 -0.10 1.79 -1.00 0.02 0.00 0.00 175.55 176.19 1jkf h PRO 188 N 7.29 0.94 0.00 -1.71 0.13 -1.98 -3.23 132.00 133.43 1jkf h PRO 188 Ca -0.36 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jkf h PRO 188 Cb 1.18 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1jkf h PRO 188 CO 0.63 0.72 0.00 -0.25 -0.23 0.00 0.00 178.00 178.88 1jkf n ASP 189 N -4.50 0.25 0.05 1.44 9.92 -1.26 -2.50 116.55 119.95 1jkf n ASP 189 Ca 0.05 0.59 0.11 0.00 -0.53 0.00 0.00 54.79 55.01 1jkf n ASP 189 Cb 0.10 -0.63 0.06 0.00 -0.64 0.00 0.00 41.12 40.01 1jkf n ASP 189 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1jkf n PHE 190 N -1.81 0.47 -2.18 1.24 3.01 -1.22 -4.77 117.46 112.20 1jkf n PHE 190 Ca 0.01 0.14 -0.38 0.00 1.01 0.00 0.00 57.45 58.23 1jkf n PHE 190 Cb 0.11 -0.60 -0.03 0.00 -0.01 0.00 0.00 39.48 38.95 1jkf n PHE 190 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1jkf s ILE 191 N -3.23 3.47 -0.78 4.37 1.01 -1.04 -1.31 121.20 123.69 1jkf s ILE 191 Ca 0.03 0.15 0.25 0.00 0.00 0.00 0.00 60.65 61.09 1jkf s ILE 191 Cb 0.13 -4.22 0.13 0.00 0.01 0.00 0.00 42.46 38.51 1jkf s ILE 191 CO 0.78 -1.18 1.54 0.00 0.00 0.00 0.00 174.94 176.08 1jkf n ALA 192 N 11.96 2.79 0.00 9.38 0.00 -0.84 -4.92 120.51 138.88 1jkf n ALA 192 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jkf n ALA 192 Cb 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1jkf n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jkf n ALA 193 N -1.71 0.00 -4.12 0.00 0.00 -0.90 -4.99 120.51 108.78 1jkf n ALA 193 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 1jkf n ALA 193 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1jkf n ALA 193 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jkf n ASN 194 N 1.67 -1.68 -3.32 0.00 5.03 -1.26 -3.07 115.26 112.63 1jkf n ASN 194 Ca 0.00 -1.23 -0.26 0.00 0.87 0.00 0.00 54.58 53.96 1jkf n ASN 194 Cb 0.00 -1.97 -0.07 0.00 -1.02 0.00 0.00 39.78 36.72 1jkf n ASN 194 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1jkf n GLN 195 N -4.72 2.38 -0.02 3.52 -0.06 -1.26 -3.81 117.38 113.41 1jkf n GLN 195 Ca -0.22 -4.50 -0.05 0.00 -2.00 0.00 0.00 57.00 50.23 1jkf n GLN 195 Cb 0.64 -2.12 0.17 0.00 -4.06 0.00 0.00 30.24 24.87 1jkf n GLN 195 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1jkf h ASP 196 N 3.96 0.58 -2.31 1.69 3.45 -2.03 -3.46 116.42 118.30 1jkf h ASP 196 Ca 0.17 -0.19 -0.55 0.00 0.43 0.00 0.00 57.03 56.89 1jkf h ASP 196 Cb 0.67 -0.16 -0.09 0.00 -0.56 0.00 0.00 39.33 39.20 1jkf h ASP 196 CO 0.78 0.80 -0.62 -1.61 -1.57 0.00 0.00 179.24 177.02 1jkf s GLU 197 N -4.58 2.45 0.55 3.56 0.41 -1.26 -5.12 118.70 114.72 1jkf s GLU 197 Ca -0.08 -1.28 -0.18 0.00 -0.41 0.00 0.00 54.97 53.02 1jkf s GLU 197 Cb 0.14 -2.28 -0.06 0.00 -1.78 0.00 0.00 34.13 30.15 1jkf s GLU 197 CO 0.80 0.39 1.05 1.03 -0.49 0.00 0.00 175.26 178.04 1jkf s ARG 198 N -3.59 3.52 -1.02 1.61 3.00 -1.26 -4.96 118.95 116.25 1jkf s ARG 198 Ca 0.31 1.27 -0.17 0.00 0.00 0.00 0.00 55.73 57.15 1jkf s ARG 198 Cb -0.07 -2.06 0.15 0.00 0.00 0.00 0.00 34.95 32.97 1jkf s ARG 198 CO 0.21 -0.65 1.21 0.00 0.00 0.00 0.00 175.30 176.06 1jkf s ALA 199 N -2.25 3.66 -0.03 2.13 0.00 -1.25 -4.09 121.76 119.93 1jkf s ALA 199 Ca 0.65 -3.03 0.01 0.00 0.00 0.00 0.00 51.96 49.59 1jkf s ALA 199 Cb -0.16 -4.03 0.02 0.00 0.00 0.00 0.00 23.12 18.94 1jkf s ALA 199 CO 0.30 -2.85 1.01 0.27 0.00 0.00 0.00 175.76 174.49 1jkf n ASN 200 N 5.99 2.04 -3.42 0.00 2.04 -0.78 -4.83 115.26 116.29 1jkf n ASN 200 Ca 0.28 -2.02 -0.27 0.00 -0.44 0.00 0.00 54.58 52.12 1jkf n ASN 200 Cb 0.47 -0.02 -0.11 0.00 -2.53 0.00 0.00 39.78 37.59 1jkf n ASN 200 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1jkf s ASN 201 N -1.04 2.27 0.04 0.53 2.47 -1.16 -4.72 114.94 113.33 1jkf s ASN 201 Ca 0.01 -2.47 0.03 0.00 0.42 0.00 0.00 52.86 50.86 1jkf s ASN 201 Cb 0.01 -0.34 -0.02 0.00 -1.45 0.00 0.00 41.25 39.45 1jkf s ASN 201 CO 0.01 -0.25 -0.10 0.00 -3.72 0.00 0.00 177.10 173.03 1jkf h ILE 203 N 4.52 1.51 -0.10 0.00 3.07 -1.30 -3.42 117.51 121.78 1jkf h ILE 203 Ca -0.36 -2.30 -0.00 0.00 1.55 0.00 0.00 64.86 63.75 1jkf h ILE 203 Cb 1.20 3.01 -0.00 0.00 -0.27 0.00 0.00 36.82 40.76 1jkf h ILE 203 CO 0.42 0.51 0.05 -0.46 -1.05 0.00 0.00 178.15 177.62 1jkf n ASN 204 N -4.54 1.22 -3.86 2.16 6.94 -1.26 -4.86 115.26 111.05 1jkf n ASN 204 Ca -0.17 -2.37 -0.26 0.00 -0.02 0.00 0.00 54.58 51.76 1jkf n ASN 204 Cb 0.55 -1.69 -0.17 0.00 -2.36 0.00 0.00 39.78 36.11 1jkf n ASN 204 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1jkf s LEU 205 N 16.63 1.03 -0.04 -4.53 1.43 -1.24 -4.24 118.68 127.72 1jkf s LEU 205 Ca 0.80 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 1jkf s LEU 205 Cb -0.06 -0.72 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 1jkf s LEU 205 CO 0.18 -0.15 1.86 1.51 0.23 0.00 0.00 176.35 179.98 1jkf s ASP 206 N 1.78 6.41 -0.37 2.29 3.84 -0.85 -4.69 116.67 125.08 1jkf s ASP 206 Ca 0.05 2.35 -0.09 0.00 -0.00 0.00 0.00 52.55 54.86 1jkf s ASP 206 Cb -0.13 -2.53 -0.08 0.00 -1.38 0.00 0.00 42.92 38.80 1jkf s ASP 206 CO -0.07 -1.13 1.38 -0.62 -0.00 0.00 0.00 175.17 174.73 1jkf n GLU 207 N 7.55 0.03 0.00 2.11 4.71 -1.26 -0.91 120.64 132.87 1jkf n GLU 207 Ca 0.20 -0.58 0.00 0.00 -0.01 0.00 0.00 57.16 56.77 1jkf n GLU 207 Cb 0.42 -2.00 0.00 0.00 -1.01 0.00 0.00 31.44 28.85 1jkf n GLU 207 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1jkf n LYS 208 N 5.73 0.00 0.00 3.49 5.02 -1.26 -5.05 118.16 126.10 1jkf n LYS 208 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1jkf n LYS 208 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1jkf n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jkf n GLY 209 N -0.91 1.33 3.70 0.72 0.00 -0.08 -5.15 105.19 104.80 1jkf n GLY 209 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1jkf n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jkf s ASN 210 N -0.54 1.51 0.00 1.61 0.02 -1.25 -4.81 114.94 111.47 1jkf s ASN 210 Ca 0.00 0.48 0.00 0.00 -1.02 0.00 0.00 52.86 52.32 1jkf s ASN 210 Cb 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 41.25 40.65 1jkf s ASN 210 CO 0.00 -3.75 0.00 1.33 0.02 0.00 0.00 177.10 174.70 1jkf n VAL 211 N -4.48 0.00 -1.24 1.60 0.24 -1.26 -2.01 118.33 111.18 1jkf n VAL 211 Ca 0.14 0.31 0.06 0.00 -2.04 0.00 0.00 64.34 62.82 1jkf n VAL 211 Cb 0.60 -0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 1jkf n VAL 211 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1jkf n THR 212 N -1.54 -1.66 -1.18 3.34 5.66 -1.26 -3.49 114.28 114.15 1jkf n THR 212 Ca 0.00 1.01 -0.04 0.00 -3.05 0.00 0.00 64.05 61.97 1jkf n THR 212 Cb 0.00 -1.62 0.25 0.00 -1.55 0.00 0.00 70.33 67.40 1jkf n THR 212 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jkf n THR 213 N -3.09 2.70 -3.88 1.09 -2.24 -1.26 -4.83 114.28 102.77 1jkf n THR 213 Ca -0.04 -2.07 -0.23 0.00 -2.27 0.00 0.00 64.05 59.44 1jkf n THR 213 Cb 0.47 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1jkf n THR 213 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1jkf s ARG 214 N -3.07 3.45 -0.32 -0.78 3.52 -1.26 -4.41 118.95 116.08 1jkf s ARG 214 Ca 0.49 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1jkf s ARG 214 Cb 0.41 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1jkf s ARG 214 CO 0.08 0.42 0.00 0.41 -0.81 0.00 0.00 175.30 175.40 1jkf n GLY 215 N -1.16 0.47 0.37 8.12 0.00 -1.26 -4.93 105.19 106.80 1jkf n GLY 215 Ca -0.08 -0.86 0.15 0.00 0.00 0.00 0.00 46.02 45.24 1jkf n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jkf h LYS 216 N 0.00 0.62 -0.13 1.61 1.57 -1.79 0.71 116.57 119.15 1jkf h LYS 216 Ca -0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1jkf h LYS 216 Cb 0.55 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1jkf h LYS 216 CO 0.09 0.41 -0.05 2.35 -0.57 0.00 0.00 179.45 181.68 1jkf h TRP 217 N 0.64 0.30 -0.39 -1.35 2.91 -1.85 -2.02 115.95 114.19 1jkf h TRP 217 Ca 0.55 -0.07 0.11 0.00 1.13 0.00 0.00 58.89 60.61 1jkf h TRP 217 Cb 1.02 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.59 1jkf h TRP 217 CO -0.00 0.58 0.28 1.79 -1.03 0.00 0.00 178.44 180.06 1jkf h THR 218 N -0.07 0.81 -0.25 2.65 1.35 -1.36 0.26 112.91 116.31 1jkf h THR 218 Ca 0.03 -0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.85 1jkf h THR 218 Cb 0.50 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1jkf h THR 218 CO 0.02 0.00 0.01 0.45 -0.25 0.00 0.00 175.52 175.75 1jkf h HIS 219 N 0.01 0.47 -0.36 4.73 3.86 -0.58 0.47 115.15 123.74 1jkf h HIS 219 Ca 0.18 -0.08 0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1jkf h HIS 219 Cb 0.73 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 1jkf h HIS 219 CO -0.00 0.59 0.10 1.25 0.86 0.00 0.00 177.93 180.73 1jkf h LEU 220 N 0.22 0.06 -0.27 2.43 7.12 0.18 0.13 115.31 125.18 1jkf h LEU 220 Ca 0.07 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 1jkf h LEU 220 Cb 0.40 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1jkf h LEU 220 CO 0.01 0.07 0.15 1.56 -0.13 0.00 0.00 178.44 180.10 1jkf h GLN 221 N 0.23 0.38 -0.21 1.25 4.20 -0.92 0.11 115.11 120.14 1jkf h GLN 221 Ca 0.17 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.89 1jkf h GLN 221 Cb 0.18 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.82 1jkf h GLN 221 CO -0.20 0.33 -0.23 -0.09 -0.67 0.00 0.00 178.83 177.97 1jkf h ARG 222 N 0.32 -0.24 -0.92 1.46 9.65 -0.24 0.33 114.38 124.74 1jkf h ARG 222 Ca 0.09 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.05 1jkf h ARG 222 Cb 0.06 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 1jkf h ARG 222 CO -0.02 -0.16 0.59 0.82 2.80 0.00 0.00 179.97 184.01 1jkf h ILE 223 N -0.25 1.09 0.06 1.20 1.08 -0.32 0.20 117.51 120.58 1jkf h ILE 223 Ca 0.13 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1jkf h ILE 223 Cb 0.44 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 1jkf h ILE 223 CO -0.36 0.20 -0.03 0.03 -0.69 0.00 0.00 178.15 177.30 1jkf h ARG 224 N 1.09 -0.08 -0.96 2.37 3.08 0.51 -2.25 114.38 118.14 1jkf h ARG 224 Ca 0.39 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.54 1jkf h ARG 224 Cb 0.12 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 1jkf h ARG 224 CO -0.16 0.09 0.60 -0.09 -1.07 0.00 0.00 179.97 179.34 1jkf h ARG 225 N -0.24 0.97 -0.46 0.04 9.65 0.20 -1.51 114.38 123.03 1jkf h ARG 225 Ca -0.01 -0.06 0.09 0.00 -1.10 0.00 0.00 59.98 58.91 1jkf h ARG 225 Cb 0.21 -0.22 -0.09 0.00 -1.39 0.00 0.00 29.97 28.48 1jkf h ARG 225 CO 0.01 0.64 -0.14 -0.44 2.80 0.00 0.00 179.97 182.85 1jkf h ASP 226 N 1.00 -0.51 -0.69 -3.80 3.45 -0.14 0.61 116.42 116.35 1jkf h ASP 226 Ca 0.45 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 58.05 1jkf h ASP 226 Cb 0.36 0.32 -0.03 0.00 -0.56 0.00 0.00 39.33 39.41 1jkf h ASP 226 CO -0.23 -0.18 0.39 0.40 -1.57 0.00 0.00 179.24 178.05 1jkf h ILE 227 N -0.03 1.21 0.39 0.35 2.04 -0.74 -1.43 117.51 119.29 1jkf h ILE 227 Ca 0.22 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1jkf h ILE 227 Cb 0.37 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1jkf h ILE 227 CO -0.49 0.22 -0.19 1.56 0.00 0.00 0.00 178.15 179.25 1jkf h GLN 228 N 0.94 -0.50 -0.53 2.37 4.20 -0.56 -1.31 115.11 119.71 1jkf h GLN 228 Ca 0.24 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.07 1jkf h GLN 228 Cb 0.01 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 1jkf h GLN 228 CO -0.04 -0.26 0.15 -0.91 -0.67 0.00 0.00 178.83 177.10 1jkf h ASN 229 N -0.67 0.10 -0.78 1.46 -0.26 -0.83 -1.50 115.58 113.09 1jkf h ASN 229 Ca -0.05 0.08 0.05 0.00 -0.56 0.00 0.00 56.30 55.82 1jkf h ASN 229 Cb 0.48 0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.77 1jkf h ASN 229 CO 0.09 0.08 0.48 0.15 -1.06 0.00 0.00 177.43 177.16 1jkf h PHE 230 N 0.30 0.88 -0.23 1.19 3.57 -1.16 0.63 116.94 122.11 1jkf h PHE 230 Ca 0.26 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1jkf h PHE 230 Cb 0.33 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1jkf h PHE 230 CO -0.20 0.45 -0.00 -0.22 -2.23 0.00 0.00 178.31 176.11 1jkf h LYS 231 N 0.88 0.07 -0.08 1.11 3.64 -0.24 -3.05 116.57 118.91 1jkf h LYS 231 Ca 0.34 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.56 1jkf h LYS 231 Cb 0.14 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1jkf h LYS 231 CO -0.16 0.05 -0.55 1.05 -2.27 0.00 0.00 179.45 177.57 1jkf h GLU 232 N 0.07 0.51 0.00 1.90 4.11 -1.00 0.67 114.58 120.84 1jkf h GLU 232 Ca 0.11 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1jkf h GLU 232 Cb 0.14 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1jkf h GLU 232 CO -0.19 1.08 0.12 0.39 0.07 0.00 0.00 179.01 180.48 1jkf n GLU 233 N -4.21 0.09 0.00 1.06 1.02 0.18 -0.42 120.64 118.36 1jkf n GLU 233 Ca -0.09 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1jkf n GLU 233 Cb 0.63 -1.91 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1jkf n GLU 233 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jkf n ASN 234 N -1.98 0.50 -3.30 1.62 3.02 -1.16 -5.01 115.26 108.95 1jkf n ASN 234 Ca -0.01 -0.75 -0.16 0.00 -0.03 0.00 0.00 54.58 53.63 1jkf n ASN 234 Cb 0.14 0.56 0.08 0.00 -0.61 0.00 0.00 39.78 39.96 1jkf n ASN 234 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkf n ALA 235 N -0.55 -2.03 -2.55 5.41 0.00 0.44 -5.01 120.51 116.22 1jkf n ALA 235 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 1jkf n ALA 235 Cb 0.02 -2.97 -0.12 0.00 0.00 0.00 0.00 19.45 16.38 1jkf n ALA 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jkf s LEU 236 N -6.01 3.02 -0.20 0.00 1.02 0.18 -5.03 118.68 111.67 1jkf s LEU 236 Ca 0.09 -0.11 -0.16 0.00 0.02 0.00 0.00 54.13 53.97 1jkf s LEU 236 Cb -0.01 -1.67 -0.08 0.00 0.02 0.00 0.00 46.19 44.45 1jkf s LEU 236 CO 0.70 0.34 -0.27 0.47 0.02 0.00 0.00 176.35 177.61 1jkf n ASP 237 N 2.11 1.91 -4.81 2.29 8.00 -1.26 -4.59 116.55 120.21 1jkf n ASP 237 Ca -0.17 0.40 -0.39 0.00 0.71 0.00 0.00 54.79 55.34 1jkf n ASP 237 Cb 0.53 -0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 1jkf n ASP 237 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1jkf s LYS 238 N -2.64 4.18 0.04 -1.24 2.20 -1.26 -5.06 119.74 115.95 1jkf s LYS 238 Ca -0.29 0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1jkf s LYS 238 Cb 0.07 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1jkf s LYS 238 CO 0.42 0.60 -0.04 0.08 -0.36 0.00 0.00 175.35 176.05 1jkf s VAL 239 N -0.93 0.23 -0.14 4.02 1.01 -1.26 -2.22 120.40 121.11 1jkf s VAL 239 Ca 0.28 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1jkf s VAL 239 Cb -0.19 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.35 1jkf s VAL 239 CO 0.18 -0.73 0.25 -0.63 0.00 0.00 0.00 175.10 174.17 1jkf s ILE 240 N -2.65 -0.40 0.33 2.22 1.01 0.95 -4.18 121.20 118.48 1jkf s ILE 240 Ca -0.04 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 1jkf s ILE 240 Cb -0.01 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 1jkf s ILE 240 CO -0.05 0.06 0.60 -0.69 0.00 0.00 0.00 174.94 174.85 1jkf s VAL 241 N 2.40 5.00 -0.22 2.92 1.01 -0.86 -0.94 120.40 129.72 1jkf s VAL 241 Ca 0.03 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1jkf s VAL 241 Cb -0.13 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.56 1jkf s VAL 241 CO -0.09 -0.42 0.54 -0.22 0.00 0.00 0.00 175.10 174.90 1jkf s LEU 242 N -3.79 -0.49 -0.33 3.92 0.20 -0.85 -2.46 118.68 114.88 1jkf s LEU 242 Ca 0.44 1.18 -0.26 0.00 0.69 0.00 0.00 54.13 56.18 1jkf s LEU 242 Cb -0.10 1.82 0.01 0.00 -0.43 0.00 0.00 46.19 47.49 1jkf s LEU 242 CO 0.32 -0.21 0.92 0.86 -0.29 0.00 0.00 176.35 177.95 1jkf s TRP 243 N 1.53 3.15 -0.21 5.38 -0.11 0.14 -1.61 118.94 127.22 1jkf s TRP 243 Ca -0.10 0.92 0.20 0.00 1.22 0.00 0.00 56.10 58.35 1jkf s TRP 243 Cb -0.07 -3.51 0.48 0.00 -1.50 0.00 0.00 33.47 28.87 1jkf s TRP 243 CO -0.16 -0.71 1.14 -2.37 -4.62 0.00 0.00 176.95 170.23 1jkf n THR 244 N 5.78 1.26 -1.92 5.86 5.66 -0.03 -0.97 114.28 129.92 1jkf n THR 244 Ca 0.07 -2.74 0.00 0.00 -3.05 0.00 0.00 64.05 58.33 1jkf n THR 244 Cb 0.48 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 1jkf n THR 244 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jkf n ALA 245 N -0.42 0.00 -0.55 1.79 0.00 -0.95 -4.55 120.51 115.82 1jkf n ALA 245 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1jkf n ALA 245 Cb 0.89 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.50 1jkf n ALA 245 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jkf n ASN 246 N 0.00 -3.03 -4.23 0.00 2.04 -1.25 -4.90 115.26 103.88 1jkf n ASN 246 Ca 0.00 -0.47 -0.33 0.00 -0.44 0.00 0.00 54.58 53.34 1jkf n ASN 246 Cb 0.00 -0.60 -0.15 0.00 -2.53 0.00 0.00 39.78 36.49 1jkf n ASN 246 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1jkf s THR 247 N -1.66 2.57 0.50 5.53 2.01 -1.17 -4.91 115.64 118.51 1jkf s THR 247 Ca 0.36 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 1jkf s THR 247 Cb -0.06 -2.09 0.10 0.00 0.01 0.00 0.00 72.50 70.46 1jkf s THR 247 CO 0.30 0.51 0.68 -0.62 -0.69 0.00 0.00 174.62 174.80 1jkf n GLU 248 N 4.25 0.12 -3.13 4.92 1.02 -1.26 -2.00 120.64 124.56 1jkf n GLU 248 Ca -0.19 -1.85 -0.39 0.00 -0.02 0.00 0.00 57.16 54.70 1jkf n GLU 248 Cb 0.51 -0.46 -0.06 0.00 -0.02 0.00 0.00 31.44 31.42 1jkf n GLU 248 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1jkf s ARG 249 N -4.24 4.38 0.81 3.49 0.52 -0.42 -4.48 118.95 119.00 1jkf s ARG 249 Ca 0.45 0.90 -0.14 0.00 -0.52 0.00 0.00 55.73 56.42 1jkf s ARG 249 Cb -0.03 -3.30 0.04 0.00 0.52 0.00 0.00 34.95 32.19 1jkf s ARG 249 CO 0.30 0.47 0.88 0.66 0.02 0.00 0.00 175.30 177.63 1jkf n TYR 250 N 2.20 0.23 -4.34 -0.53 4.02 -1.26 -4.85 117.16 112.62 1jkf n TYR 250 Ca -0.07 0.36 -0.35 0.00 -0.01 0.00 0.00 57.90 57.84 1jkf n TYR 250 Cb 0.50 -2.00 -0.10 0.00 -0.02 0.00 0.00 39.34 37.73 1jkf n TYR 250 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1jkf s VAL 251 N -2.12 4.32 -0.70 -0.72 -7.23 -1.26 -4.99 120.40 107.70 1jkf s VAL 251 Ca 0.68 -0.24 -0.26 0.00 -1.81 0.00 0.00 61.98 60.35 1jkf s VAL 251 Cb -0.29 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.81 1jkf s VAL 251 CO 0.56 0.59 1.65 -0.70 -0.31 0.00 0.00 175.10 176.88 1jkf s GLU 252 N -0.68 2.86 -0.13 4.82 2.12 -1.26 -4.96 118.70 121.47 1jkf s GLU 252 Ca 0.11 0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 1jkf s GLU 252 Cb -0.12 -4.42 -0.05 0.00 0.26 0.00 0.00 34.13 29.80 1jkf s GLU 252 CO 0.02 -2.56 1.82 0.54 -0.54 0.00 0.00 175.26 174.54 1jkf s VAL 253 N 7.82 3.38 -0.04 3.70 0.11 -1.26 -4.96 120.40 129.16 1jkf s VAL 253 Ca 0.55 0.44 0.05 0.00 -2.93 0.00 0.00 61.98 60.10 1jkf s VAL 253 Cb -0.10 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.37 1jkf s VAL 253 CO 0.16 -0.13 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.15 1jkf s SER 254 N 4.90 2.46 -0.80 3.54 0.01 -1.26 -5.04 113.70 117.50 1jkf s SER 254 Ca 0.81 -0.40 -0.23 0.00 1.31 0.00 0.00 55.95 57.45 1jkf s SER 254 Cb -0.32 -0.54 -0.18 0.00 0.21 0.00 0.00 66.02 65.19 1jkf s SER 254 CO 0.33 0.21 2.39 -0.81 0.41 0.00 0.00 173.24 175.77 1jkf n PRO 255 N 2.90 0.47 0.00 12.44 -0.04 -1.26 -1.91 135.00 147.59 1jkf n PRO 255 Ca -0.17 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1jkf n PRO 255 Cb 0.53 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1jkf n PRO 255 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jkf n GLY 256 N 6.30 1.28 0.14 0.55 0.00 -1.26 -5.00 105.19 107.20 1jkf n GLY 256 Ca 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 1jkf n GLY 256 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jkf n VAL 257 N 0.00 1.48 -2.58 1.61 0.24 -0.80 -4.74 118.33 113.54 1jkf n VAL 257 Ca 0.00 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1jkf n VAL 257 Cb 0.00 -2.18 0.02 0.00 -1.47 0.00 0.00 33.84 30.21 1jkf n VAL 257 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1jkf n ASN 258 N -4.35 2.69 -0.10 -1.34 2.04 -1.21 -1.78 115.26 111.20 1jkf n ASN 258 Ca -0.25 -2.98 -0.14 0.00 -0.44 0.00 0.00 54.58 50.77 1jkf n ASN 258 Cb 0.61 -0.49 -0.10 0.00 -2.53 0.00 0.00 39.78 37.28 1jkf n ASN 258 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1jkf n ASP 259 N -0.32 2.33 -4.47 0.53 3.85 -1.26 -2.06 116.55 115.16 1jkf n ASP 259 Ca 0.20 -0.11 -0.23 0.00 -0.71 0.00 0.00 54.79 53.94 1jkf n ASP 259 Cb 0.79 -0.28 -0.10 0.00 -1.35 0.00 0.00 41.12 40.17 1jkf n ASP 259 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1jkf s THR 260 N -2.42 1.86 0.00 2.12 -4.23 -1.26 -3.06 115.64 108.65 1jkf s THR 260 Ca -0.27 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.08 1jkf s THR 260 Cb 0.07 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1jkf s THR 260 CO 0.49 -0.26 0.53 0.80 -0.54 0.00 0.00 174.62 175.64 1jkf n MET 261 N -0.66 0.00 -0.07 3.99 0.00 -1.25 -1.83 117.12 117.30 1jkf n MET 261 Ca -0.05 0.25 0.05 0.00 -0.00 0.00 0.00 57.70 57.94 1jkf n MET 261 Cb 0.63 -1.03 0.09 0.00 0.00 0.00 0.00 33.22 32.91 1jkf n MET 261 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1jkf n GLU 262 N -0.83 -0.01 -0.02 2.12 4.71 -1.26 0.12 120.64 125.47 1jkf n GLU 262 Ca 0.00 0.28 -0.16 0.00 -0.01 0.00 0.00 57.16 57.27 1jkf n GLU 262 Cb 0.00 -0.47 -0.11 0.00 -1.01 0.00 0.00 31.44 29.84 1jkf n GLU 262 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1jkf h ASN 263 N 0.00 0.34 -0.00 1.62 -0.26 -1.76 -2.94 115.58 112.58 1jkf h ASN 263 Ca 0.14 -0.77 0.01 0.00 -0.56 0.00 0.00 56.30 55.12 1jkf h ASN 263 Cb 0.34 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1jkf h ASN 263 CO -0.17 1.06 -0.13 0.25 -1.06 0.00 0.00 177.43 177.38 1jkf h LEU 264 N -0.36 -0.41 -0.86 1.61 5.85 0.17 0.47 115.31 121.79 1jkf h LEU 264 Ca -0.05 0.05 0.20 0.00 0.84 0.00 0.00 57.88 58.92 1jkf h LEU 264 Cb 1.12 0.16 -0.16 0.00 0.37 0.00 0.00 40.66 42.15 1jkf h LEU 264 CO 0.07 -0.13 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.92 1jkf h LEU 265 N -0.16 -0.53 -0.08 2.25 3.38 -1.69 0.40 115.31 118.88 1jkf h LEU 265 Ca 0.00 0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1jkf h LEU 265 Cb 0.18 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1jkf h LEU 265 CO -0.09 -0.26 -0.18 -0.61 0.09 0.00 0.00 178.44 177.39 1jkf h GLN 266 N 0.05 -0.24 -0.95 1.13 5.75 -1.04 -2.23 115.11 117.58 1jkf h GLN 266 Ca 0.46 0.02 0.13 0.00 -0.15 0.00 0.00 58.65 59.11 1jkf h GLN 266 Cb 0.83 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.36 1jkf h GLN 266 CO -0.81 -0.16 0.61 0.77 -2.65 0.00 0.00 178.83 176.59 1jkf h SER 267 N -0.25 0.82 0.67 -0.69 0.02 0.21 -1.71 113.55 112.61 1jkf h SER 267 Ca 0.08 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1jkf h SER 267 Cb 0.36 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1jkf h SER 267 CO -0.22 0.43 -0.50 0.40 -1.14 0.00 0.00 176.83 175.80 1jkf h ILE 268 N 0.88 0.01 -1.02 3.27 2.04 -0.77 0.30 117.51 122.22 1jkf h ILE 268 Ca 0.47 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.58 1jkf h ILE 268 Cb 0.56 0.01 -0.12 0.00 -0.74 0.00 0.00 36.82 36.53 1jkf h ILE 268 CO -0.24 0.00 0.62 0.11 0.00 0.00 0.00 178.15 178.64 1jkf h LYS 269 N -1.12 0.52 0.00 2.37 1.57 -1.07 1.32 116.57 120.15 1jkf h LYS 269 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1jkf h LYS 269 Cb 0.93 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1jkf h LYS 269 CO 0.03 0.34 0.00 0.09 -0.57 0.00 0.00 179.45 179.34 1jkf n ASN 270 N -4.80 0.00 -3.35 0.86 5.03 -0.48 -4.74 115.26 107.77 1jkf n ASN 270 Ca 0.26 0.47 -0.18 0.00 0.87 0.00 0.00 54.58 56.01 1jkf n ASN 270 Cb 0.78 -0.49 0.08 0.00 -1.02 0.00 0.00 39.78 39.14 1jkf n ASN 270 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1jkf n ASP 271 N -1.49 -3.33 -4.73 6.41 10.43 0.45 -4.91 116.55 119.39 1jkf n ASP 271 Ca 0.06 -0.56 -0.36 0.00 2.57 0.00 0.00 54.79 56.49 1jkf n ASP 271 Cb 0.26 -4.87 0.08 0.00 1.84 0.00 0.00 41.12 38.43 1jkf n ASP 271 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1jkf s HIS 272 N -3.33 2.05 -0.06 1.24 2.46 0.34 -4.88 115.29 113.11 1jkf s HIS 272 Ca 0.17 1.52 0.20 0.00 0.47 0.00 0.00 55.06 57.43 1jkf s HIS 272 Cb -0.08 -3.64 0.50 0.00 -0.13 0.00 0.00 32.58 29.23 1jkf s HIS 272 CO 0.69 -2.87 1.64 1.05 -2.47 0.00 0.00 174.74 172.79 1jkf h GLU 273 N 0.29 0.00 0.00 2.88 9.09 -1.90 -3.07 114.58 121.87 1jkf h GLU 273 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1jkf h GLU 273 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1jkf h GLU 273 CO 0.52 0.31 0.00 0.39 0.05 0.00 0.00 179.01 180.28 1jkf n GLU 274 N -3.29 0.40 -3.05 1.06 1.02 -1.26 -4.59 120.64 110.94 1jkf n GLU 274 Ca 0.01 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.81 1jkf n GLU 274 Cb 0.57 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 1jkf n GLU 274 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jkf s ILE 275 N -2.36 4.93 0.31 -3.67 -1.09 -1.16 -4.87 121.20 113.29 1jkf s ILE 275 Ca 0.23 1.20 0.09 0.00 -2.23 0.00 0.00 60.65 59.93 1jkf s ILE 275 Cb 0.13 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1jkf s ILE 275 CO 0.27 -0.04 0.07 0.00 -1.23 0.00 0.00 174.94 174.02 1jkf s ALA 276 N 2.63 3.34 0.24 9.38 0.00 -1.26 -4.95 121.76 131.14 1jkf s ALA 276 Ca 0.28 -1.78 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 1jkf s ALA 276 Cb -0.15 -0.70 0.29 0.00 0.00 0.00 0.00 23.12 22.55 1jkf s ALA 276 CO 0.09 0.12 1.55 -1.35 0.00 0.00 0.00 175.76 176.17 1jkf h PRO 277 N 1.70 -0.00 -0.29 0.00 0.11 -1.93 0.45 132.00 132.03 1jkf h PRO 277 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1jkf h PRO 277 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1jkf h PRO 277 CO 0.63 -0.00 0.05 0.66 -0.21 0.00 0.00 178.00 179.12 1jkf h SER 278 N -0.00 0.38 -0.30 -2.05 4.64 -1.96 -1.82 113.55 112.44 1jkf h SER 278 Ca 0.37 -0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1jkf h SER 278 Cb 0.62 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 1jkf h SER 278 CO -1.00 0.41 -0.01 0.74 -0.87 0.00 0.00 176.83 176.10 1jkf h THR 279 N 0.41 0.78 0.34 2.95 2.02 -0.40 -0.54 112.91 118.47 1jkf h THR 279 Ca 0.10 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1jkf h THR 279 Cb 0.20 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1jkf h THR 279 CO -0.00 0.01 -0.16 0.40 0.37 0.00 0.00 175.52 176.14 1jkf h ILE 280 N 0.08 0.67 -0.98 3.11 5.03 -0.93 0.18 117.51 124.67 1jkf h ILE 280 Ca 0.14 -0.37 0.19 0.00 -0.12 0.00 0.00 64.86 64.71 1jkf h ILE 280 Cb 0.19 0.86 -0.09 0.00 -3.03 0.00 0.00 36.82 34.75 1jkf h ILE 280 CO -0.25 0.07 0.61 -0.26 -0.68 0.00 0.00 178.15 177.65 1jkf h PHE 281 N -0.67 0.88 0.24 1.37 -1.00 -1.22 0.64 116.94 117.19 1jkf h PHE 281 Ca -0.05 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1jkf h PHE 281 Cb 0.47 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1jkf h PHE 281 CO -0.00 0.21 -0.12 0.00 -1.61 0.00 0.00 178.31 176.79 1jkf h ALA 282 N 1.63 -0.32 -0.91 2.45 0.00 -0.91 0.58 119.26 121.77 1jkf h ALA 282 Ca 0.54 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1jkf h ALA 282 Cb 1.00 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1jkf h ALA 282 CO -0.30 -0.51 0.58 0.00 0.00 0.00 0.00 179.25 179.02 1jkf h ALA 283 N -0.03 1.23 0.65 0.00 0.00 0.10 -0.77 119.26 120.45 1jkf h ALA 283 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jkf h ALA 283 Cb 0.47 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jkf h ALA 283 CO 0.05 0.39 -0.31 0.00 0.00 0.00 0.00 179.25 179.38 1jkf h ALA 284 N 1.40 -0.87 -0.85 0.00 0.00 0.26 -1.37 119.26 117.82 1jkf h ALA 284 Ca 0.38 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.29 1jkf h ALA 284 Cb 0.09 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 1jkf h ALA 284 CO -0.15 -0.91 0.00 0.77 0.00 0.00 0.00 179.25 178.97 1jkf h SER 285 N -1.04 -0.42 -0.22 0.00 0.02 -0.44 0.20 113.55 111.65 1jkf h SER 285 Ca -0.09 0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1jkf h SER 285 Cb 0.71 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1jkf h SER 285 CO 0.15 -0.24 0.13 0.40 -1.14 0.00 0.00 176.83 176.12 1jkf h ILE 286 N 0.07 1.10 -0.84 3.27 2.04 -1.00 0.19 117.51 122.34 1jkf h ILE 286 Ca 0.48 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 66.14 1jkf h ILE 286 Cb 0.90 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1jkf h ILE 286 CO -0.77 0.09 0.55 -0.07 0.00 0.00 0.00 178.15 177.95 1jkf h LEU 287 N 0.26 0.88 -0.32 1.44 4.07 0.15 0.40 115.31 122.20 1jkf h LEU 287 Ca 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1jkf h LEU 287 Cb 0.04 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.57 1jkf h LEU 287 CO -0.01 0.60 0.00 -0.62 -1.08 0.00 0.00 178.44 177.33 1jkf n GLU 288 N -4.45 1.21 -3.21 1.13 -0.58 -0.39 -4.90 120.64 109.45 1jkf n GLU 288 Ca 0.11 -0.31 -0.23 0.00 -0.42 0.00 0.00 57.16 56.30 1jkf n GLU 288 Cb 0.12 -1.36 0.04 0.00 -0.57 0.00 0.00 31.44 29.68 1jkf n GLU 288 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jkf n GLY 289 N 0.92 -0.52 3.44 0.62 0.00 0.14 -4.99 105.19 104.80 1jkf n GLY 289 Ca 0.16 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 1jkf n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkf s VAL 290 N -3.19 3.36 0.14 1.61 0.11 0.58 -4.94 120.40 118.06 1jkf s VAL 290 Ca 0.39 -0.57 -0.35 0.00 -2.93 0.00 0.00 61.98 58.53 1jkf s VAL 290 Cb -0.18 -2.41 -0.15 0.00 -1.53 0.00 0.00 36.38 32.11 1jkf s VAL 290 CO 0.48 0.53 1.37 -2.65 -3.33 0.00 0.00 175.10 171.50 1jkf n PRO 291 N 3.21 1.50 -4.63 1.54 -0.02 -1.26 -4.08 135.00 131.26 1jkf n PRO 291 Ca -0.18 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.51 1jkf n PRO 291 Cb 0.53 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 1jkf n PRO 291 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1jkf s TYR 292 N 0.39 2.73 -0.19 6.00 6.14 -0.83 -2.02 117.35 129.57 1jkf s TYR 292 Ca 0.79 -1.13 -0.02 0.00 0.64 0.00 0.00 57.07 57.35 1jkf s TYR 292 Cb -0.83 -1.85 -0.00 0.00 0.42 0.00 0.00 41.96 39.70 1jkf s TYR 292 CO 0.46 -0.51 -0.10 0.42 0.64 0.00 0.00 175.55 176.46 1jkf s ILE 293 N 0.77 2.99 -0.79 3.14 1.01 -1.03 -2.64 121.20 124.65 1jkf s ILE 293 Ca -0.07 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 1jkf s ILE 293 Cb -0.16 -2.32 0.12 0.00 0.01 0.00 0.00 42.46 40.12 1jkf s ILE 293 CO 0.00 0.47 0.97 0.21 0.00 0.00 0.00 174.94 176.59 1jkf s ASN 294 N 1.18 6.46 0.00 3.58 3.04 -0.65 0.27 114.94 128.82 1jkf s ASN 294 Ca 0.02 -1.77 0.29 0.00 0.04 0.00 0.00 52.86 51.44 1jkf s ASN 294 Cb -0.14 -2.36 1.51 0.00 -1.54 0.00 0.00 41.25 38.71 1jkf s ASN 294 CO -0.03 -1.10 2.02 0.61 -3.04 0.00 0.00 177.10 175.56 1jkf n GLY 295 N 5.26 -1.22 3.57 1.21 0.00 -0.14 0.91 105.19 114.78 1jkf n GLY 295 Ca 0.10 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1jkf n GLY 295 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jkf s SER 296 N -2.51 4.18 0.25 1.61 0.15 -1.25 -0.86 113.70 115.28 1jkf s SER 296 Ca 0.29 -0.69 -0.30 0.00 0.70 0.00 0.00 55.95 55.96 1jkf s SER 296 Cb 0.20 -0.66 -0.09 0.00 -1.71 0.00 0.00 66.02 63.75 1jkf s SER 296 CO 0.43 0.06 1.17 -2.16 1.20 0.00 0.00 173.24 173.95 1jkf s PRO 297 N -3.20 4.54 0.00 5.44 0.04 -1.26 -2.01 135.00 138.55 1jkf s PRO 297 Ca 0.27 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1jkf s PRO 297 Cb -0.07 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1jkf s PRO 297 CO 0.16 0.03 0.00 0.00 0.04 0.00 0.00 177.00 177.23 1jkf n GLN 298 N 1.60 0.00 -1.35 4.56 10.64 -1.26 -4.36 117.38 127.21 1jkf n GLN 298 Ca 0.01 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.92 1jkf n GLN 298 Cb 0.44 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.74 1jkf n GLN 298 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1jkf n ASN 299 N 0.00 6.80 0.07 2.61 6.94 -1.26 -4.52 115.26 125.90 1jkf n ASN 299 Ca 0.00 -2.78 0.05 0.00 -0.02 0.00 0.00 54.58 51.82 1jkf n ASN 299 Cb 0.00 -1.40 0.47 0.00 -2.36 0.00 0.00 39.78 36.49 1jkf n ASN 299 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1jkf h THR 300 N 2.32 1.09 -0.12 5.53 1.35 -1.94 -3.13 112.91 118.02 1jkf h THR 300 Ca 0.48 -0.20 -0.55 0.00 -0.55 0.00 0.00 66.41 65.59 1jkf h THR 300 Cb 0.85 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1jkf h THR 300 CO 0.94 0.09 2.57 0.49 -0.25 0.00 0.00 175.52 179.37 1jkf n PHE 301 N -4.47 1.79 -1.10 4.73 0.99 -1.26 -4.70 117.46 113.44 1jkf n PHE 301 Ca 0.01 -2.64 -0.32 0.00 -0.00 0.00 0.00 57.45 54.51 1jkf n PHE 301 Cb 0.08 -2.19 0.12 0.00 -1.00 0.00 0.00 39.48 36.50 1jkf n PHE 301 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1jkf s VAL 302 N 1.50 2.53 0.26 -4.37 -7.23 -1.18 -4.65 120.40 107.26 1jkf s VAL 302 Ca 0.68 0.20 -0.03 0.00 -1.81 0.00 0.00 61.98 61.01 1jkf s VAL 302 Cb 0.22 -2.51 0.30 0.00 0.56 0.00 0.00 36.38 34.95 1jkf s VAL 302 CO -0.05 -0.20 1.63 1.55 -0.31 0.00 0.00 175.10 177.73 1jkf h PRO 303 N -1.15 0.13 -0.78 4.82 0.13 -1.84 0.28 132.00 133.58 1jkf h PRO 303 Ca -0.45 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1jkf h PRO 303 Cb 1.26 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1jkf h PRO 303 CO 0.47 0.09 0.39 0.78 -0.23 0.00 0.00 178.00 179.49 1jkf h GLY 304 N 0.13 1.21 0.83 1.56 0.00 -1.34 0.11 103.07 105.58 1jkf h GLY 304 Ca 0.47 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 1jkf h GLY 304 CO -0.68 0.01 -0.17 -2.00 0.00 0.00 0.00 176.54 173.69 1jkf h LEU 305 N 0.60 0.50 -0.67 3.11 5.85 -1.27 -2.98 115.31 120.46 1jkf h LEU 305 Ca 0.41 -0.46 0.13 0.00 0.84 0.00 0.00 57.88 58.79 1jkf h LEU 305 Cb 0.51 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 1jkf h LEU 305 CO -0.32 0.86 0.20 0.58 -0.34 0.00 0.00 178.44 179.41 1jkf h VAL 306 N 0.16 0.64 -0.01 1.05 2.07 0.05 -1.18 116.25 119.03 1jkf h VAL 306 Ca 0.04 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1jkf h VAL 306 Cb 0.71 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1jkf h VAL 306 CO 0.04 0.06 -0.51 -0.61 0.02 0.00 0.00 177.57 176.57 1jkf h GLN 307 N 0.33 -0.62 -0.87 1.57 5.75 -0.73 -0.02 115.11 120.52 1jkf h GLN 307 Ca 0.36 0.04 0.21 0.00 -0.15 0.00 0.00 58.65 59.11 1jkf h GLN 307 Cb 0.54 0.14 -0.16 0.00 1.07 0.00 0.00 27.48 29.07 1jkf h GLN 307 CO -0.41 -0.41 -0.01 1.25 -2.65 0.00 0.00 178.83 176.60 1jkf h LEU 308 N -0.64 -0.45 -0.40 -2.39 6.46 -1.10 0.35 115.31 117.14 1jkf h LEU 308 Ca 0.01 0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1jkf h LEU 308 Cb 0.69 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 1jkf h LEU 308 CO -0.34 -0.26 0.24 0.00 -0.62 0.00 0.00 178.44 177.45 1jkf h ALA 309 N 1.85 0.51 -0.89 1.25 0.00 -0.33 -0.07 119.26 121.57 1jkf h ALA 309 Ca 0.50 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1jkf h ALA 309 Cb 0.93 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1jkf h ALA 309 CO -0.80 -0.00 0.58 0.93 0.00 0.00 0.00 179.25 179.95 1jkf h GLU 310 N 0.52 1.09 0.51 0.00 5.08 0.13 0.29 114.58 122.21 1jkf h GLU 310 Ca 0.14 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1jkf h GLU 310 Cb -0.00 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.01 1jkf h GLU 310 CO -0.03 0.72 -0.25 1.25 -1.00 0.00 0.00 179.01 179.71 1jkf h HIS 311 N 1.13 -0.64 0.00 4.33 2.76 -0.35 -3.11 115.15 119.28 1jkf h HIS 311 Ca 0.35 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1jkf h HIS 311 Cb -0.01 0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1jkf h HIS 311 CO -0.02 -0.31 0.00 0.93 -1.30 0.00 0.00 177.93 177.23 1jkf h GLU 312 N -0.99 0.00 -3.55 5.26 4.39 -0.87 -3.46 114.58 115.35 1jkf h GLU 312 Ca -0.07 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 1jkf h GLU 312 Cb 0.61 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.34 1jkf h GLU 312 CO 0.12 0.00 -0.35 0.41 -1.16 0.00 0.00 179.01 178.03 1jkf n GLY 313 N -0.43 0.13 3.10 -3.84 0.00 0.98 -5.02 105.19 100.12 1jkf n GLY 313 Ca -0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1jkf n GLY 313 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jkf s THR 314 N -3.16 1.49 0.27 2.61 -1.32 -0.95 -5.03 115.64 109.55 1jkf s THR 314 Ca 0.10 -0.69 -0.27 0.00 -1.21 0.00 0.00 61.69 59.62 1jkf s THR 314 Cb -0.05 -1.32 -0.15 0.00 -1.51 0.00 0.00 72.50 69.47 1jkf s THR 314 CO 0.34 0.43 0.76 0.49 -2.21 0.00 0.00 174.62 174.44 1jkf n PHE 315 N 3.68 0.37 -3.79 9.09 0.99 -1.26 -4.79 117.46 121.75 1jkf n PHE 315 Ca -0.21 0.80 -0.10 0.00 -0.00 0.00 0.00 57.45 57.93 1jkf n PHE 315 Cb 0.52 -2.11 -0.07 0.00 -1.00 0.00 0.00 39.48 36.83 1jkf n PHE 315 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 1jkf s ILE 316 N -1.08 0.11 0.08 4.37 -4.36 -0.81 -1.96 121.20 117.54 1jkf s ILE 316 Ca 0.61 -0.87 -0.21 0.00 -0.26 0.00 0.00 60.65 59.92 1jkf s ILE 316 Cb -0.78 -1.09 0.07 0.00 1.25 0.00 0.00 42.46 41.91 1jkf s ILE 316 CO 0.58 -0.48 0.97 0.00 0.24 0.00 0.00 174.94 176.26 1jkf n ALA 317 N 0.29 -2.65 0.00 2.27 0.00 -1.08 -1.58 120.51 117.76 1jkf n ALA 317 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1jkf n ALA 317 Cb 0.61 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.38 1jkf n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkf n GLY 318 N -0.69 -1.82 0.00 0.00 0.00 -1.26 -1.64 105.19 99.78 1jkf n GLY 318 Ca 0.01 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1jkf n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jkf n ASP 319 N 0.00 0.00 -0.60 1.61 9.92 0.26 -3.53 116.55 124.20 1jkf n ASP 319 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jkf n ASP 319 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1jkf n ASP 319 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1jkf n ASP 320 N 0.00 -4.34 -4.74 -2.24 8.00 -0.85 -1.69 116.55 110.68 1jkf n ASP 320 Ca 0.00 0.44 -0.41 0.00 0.71 0.00 0.00 54.79 55.53 1jkf n ASP 320 Cb 0.00 -0.98 -0.05 0.00 -0.02 0.00 0.00 41.12 40.08 1jkf n ASP 320 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jkf s LEU 321 N -1.47 4.54 -0.39 0.64 1.02 -0.04 -1.01 118.68 121.98 1jkf s LEU 321 Ca 0.00 2.03 -0.29 0.00 0.02 0.00 0.00 54.13 55.89 1jkf s LEU 321 Cb 0.00 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.61 1jkf s LEU 321 CO 0.00 -0.08 1.29 -0.75 0.02 0.00 0.00 176.35 176.84 1jkf s LYS 322 N -0.72 3.75 0.59 1.70 2.20 0.35 -4.45 119.74 123.17 1jkf s LYS 322 Ca 0.46 0.96 -0.20 0.00 -0.36 0.00 0.00 55.97 56.83 1jkf s LYS 322 Cb -0.28 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1jkf s LYS 322 CO 0.34 -1.34 1.30 -1.54 -0.36 0.00 0.00 175.35 173.75 1jkf s SER 323 N 3.10 4.99 0.00 1.43 1.04 -1.26 -4.82 113.70 118.17 1jkf s SER 323 Ca 0.56 2.63 0.10 0.00 0.48 0.00 0.00 55.95 59.72 1jkf s SER 323 Cb -0.13 -2.62 0.60 0.00 0.10 0.00 0.00 66.02 63.97 1jkf s SER 323 CO 0.28 -1.75 1.03 0.61 0.98 0.00 0.00 173.24 174.39 1jkf n GLY 324 N 0.76 -0.43 0.20 7.32 0.00 -1.26 -1.42 105.19 110.35 1jkf n GLY 324 Ca 0.13 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1jkf n GLY 324 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jkf n GLN 325 N -0.87 0.48 0.03 1.61 -0.06 -1.26 -3.54 117.38 113.77 1jkf n GLN 325 Ca 0.08 0.15 0.08 0.00 -2.00 0.00 0.00 57.00 55.31 1jkf n GLN 325 Cb 0.03 -1.34 0.36 0.00 -4.06 0.00 0.00 30.24 25.23 1jkf n GLN 325 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1jkf n THR 326 N -3.45 0.92 -0.02 1.69 -2.24 -0.90 -0.58 114.28 109.71 1jkf n THR 326 Ca -0.38 0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1jkf n THR 326 Cb 0.85 -1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1jkf n THR 326 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1jkf h LYS 327 N 0.00 0.00 -0.25 -0.78 1.57 -1.42 -3.24 116.57 112.44 1jkf h LYS 327 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1jkf h LYS 327 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1jkf h LYS 327 CO 0.00 0.00 0.55 1.25 -0.57 0.00 0.00 179.45 180.68 1jkf h LEU 328 N -0.34 0.00 -0.07 2.94 5.85 -1.56 0.54 115.31 122.66 1jkf h LEU 328 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 1jkf h LEU 328 Cb 0.05 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.10 1jkf h LEU 328 CO 0.00 0.00 -0.98 0.11 -0.34 0.00 0.00 178.44 177.23 1jkf h LYS 329 N 0.00 0.64 0.71 1.25 1.57 -0.97 -2.92 116.57 116.86 1jkf h LYS 329 Ca 0.12 -0.66 -0.03 0.00 -1.87 0.00 0.00 60.65 58.20 1jkf h LYS 329 Cb 1.21 0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.71 1jkf h LYS 329 CO -0.00 1.26 -0.34 1.03 -0.57 0.00 0.00 179.45 180.83 1jkf h SER 330 N 0.38 -0.81 -0.80 0.86 0.87 0.02 -1.28 113.55 112.79 1jkf h SER 330 Ca -0.11 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1jkf h SER 330 Cb 1.62 0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 63.69 1jkf h SER 330 CO 0.19 -0.46 -0.47 0.52 -0.53 0.00 0.00 176.83 176.08 1jkf n VAL 331 N -5.23 -0.55 -0.01 2.23 0.31 -0.71 -1.28 118.33 113.10 1jkf n VAL 331 Ca -0.12 2.23 -0.09 0.00 -0.01 0.00 0.00 64.34 66.35 1jkf n VAL 331 Cb 0.37 -2.78 -0.03 0.00 -0.91 0.00 0.00 33.84 30.50 1jkf n VAL 331 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1jkf h LEU 332 N 0.00 -0.56 -1.40 7.52 7.12 -1.56 -1.52 115.31 124.92 1jkf h LEU 332 Ca 0.13 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.21 1jkf h LEU 332 Cb 0.33 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 1jkf h LEU 332 CO -0.76 -0.23 0.09 0.00 -0.13 0.00 0.00 178.44 177.41 1jkf h ALA 333 N 0.83 1.52 0.36 1.25 0.00 -0.57 -2.25 119.26 120.40 1jkf h ALA 333 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1jkf h ALA 333 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jkf h ALA 333 CO -0.27 0.36 -0.17 0.37 0.00 0.00 0.00 179.25 179.54 1jkf h GLN 334 N 0.48 -0.46 -1.22 0.00 5.75 -0.87 -2.40 115.11 116.40 1jkf h GLN 334 Ca 0.12 0.03 0.45 0.00 -0.15 0.00 0.00 58.65 59.10 1jkf h GLN 334 Cb 0.18 0.11 -0.16 0.00 1.07 0.00 0.00 27.48 28.68 1jkf h GLN 334 CO -0.00 -0.31 0.74 0.35 -2.65 0.00 0.00 178.83 176.96 1jkf h PHE 335 N -0.82 0.65 0.48 3.99 3.57 -1.28 0.31 116.94 123.85 1jkf h PHE 335 Ca -0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1jkf h PHE 335 Cb 0.37 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1jkf h PHE 335 CO 0.04 -0.36 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.45 1jkf h LEU 336 N 0.01 -0.55 -0.88 0.59 4.07 -1.29 -2.67 115.31 114.60 1jkf h LEU 336 Ca 0.87 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 58.68 1jkf h LEU 336 Cb 2.57 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 44.43 1jkf h LEU 336 CO -0.59 -0.24 -0.02 -0.37 -1.08 0.00 0.00 178.44 176.14 1jkf h VAL 337 N -0.86 1.25 -0.13 1.22 -1.51 -0.16 -1.76 116.25 114.29 1jkf h VAL 337 Ca -0.07 -1.04 0.04 0.00 -1.23 0.00 0.00 66.70 64.40 1jkf h VAL 337 Cb 0.58 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1jkf h VAL 337 CO 0.11 0.37 0.26 0.44 -1.23 0.00 0.00 177.57 177.52 1jkf h ASP 338 N 0.76 0.00 -0.42 4.19 3.45 -0.49 0.41 116.42 124.31 1jkf h ASP 338 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1jkf h ASP 338 Cb 0.48 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 1jkf h ASP 338 CO 0.02 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.69 1jkf n ALA 339 N -2.14 2.26 -0.57 3.45 0.00 -0.84 -4.99 120.51 117.67 1jkf n ALA 339 Ca 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1jkf n ALA 339 Cb 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1jkf n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkf n GLY 340 N 0.85 0.76 3.80 0.00 0.00 0.14 -5.06 105.19 105.68 1jkf n GLY 340 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1jkf n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkf s ILE 341 N -2.75 4.40 -0.79 -0.61 1.09 -0.72 -4.98 121.20 116.83 1jkf s ILE 341 Ca 0.00 1.55 -0.08 0.00 -1.10 0.00 0.00 60.65 61.03 1jkf s ILE 341 Cb 0.00 -3.97 0.21 0.00 -1.06 0.00 0.00 42.46 37.64 1jkf s ILE 341 CO 0.00 0.25 0.69 -0.75 -0.10 0.00 0.00 174.94 175.03 1jkf s LYS 342 N -1.83 3.26 -0.09 2.79 2.20 -1.16 -3.89 119.74 121.00 1jkf s LYS 342 Ca 0.44 -2.68 -0.36 0.00 -0.36 0.00 0.00 55.97 53.02 1jkf s LYS 342 Cb -0.19 -4.13 -0.13 0.00 -1.51 0.00 0.00 37.83 31.87 1jkf s LYS 342 CO 0.23 -1.24 1.79 -2.30 -0.36 0.00 0.00 175.35 173.47 1jkf n PRO 343 N 3.45 1.88 -0.00 4.03 -0.02 -1.26 -2.30 135.00 140.78 1jkf n PRO 343 Ca 0.14 0.69 0.05 0.00 -2.02 0.00 0.00 63.50 62.36 1jkf n PRO 343 Cb 0.42 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 1jkf n PRO 343 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1jkf n VAL 344 N 4.68 0.00 -3.77 -1.45 3.14 -0.63 -4.92 118.33 115.37 1jkf n VAL 344 Ca 0.23 -0.26 -0.13 0.00 -2.96 0.00 0.00 64.34 61.22 1jkf n VAL 344 Cb 0.25 0.90 -0.08 0.00 -1.06 0.00 0.00 33.84 33.85 1jkf n VAL 344 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1jkf s SER 345 N -2.12 -0.15 -0.28 6.55 0.15 -0.77 -4.98 113.70 112.10 1jkf s SER 345 Ca 0.03 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.64 1jkf s SER 345 Cb 0.08 0.32 0.14 0.00 -1.71 0.00 0.00 66.02 64.84 1jkf s SER 345 CO 0.42 -0.49 0.32 -0.63 1.20 0.00 0.00 173.24 174.05 1jkf s ILE 346 N -1.73 -0.46 0.73 6.45 1.01 -1.26 -2.55 121.20 123.40 1jkf s ILE 346 Ca -0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1jkf s ILE 346 Cb -0.04 -0.96 0.10 0.00 0.01 0.00 0.00 42.46 41.57 1jkf s ILE 346 CO 0.02 -0.39 1.02 0.00 0.00 0.00 0.00 174.94 175.59 1jkf s ALA 347 N 2.41 3.28 0.22 9.38 0.00 -0.19 -4.91 121.76 131.95 1jkf s ALA 347 Ca 0.09 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 1jkf s ALA 347 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1jkf s ALA 347 CO -0.30 -1.46 0.29 -1.12 0.00 0.00 0.00 175.76 173.17 1jkf s SER 348 N -4.64 0.04 0.00 0.00 0.01 -1.26 -2.97 113.70 104.89 1jkf s SER 348 Ca 0.64 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1jkf s SER 348 Cb -0.08 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1jkf s SER 348 CO 0.45 -0.97 0.00 0.00 0.41 0.00 0.00 173.24 173.13 1jkf n TYR 349 N -0.31 0.00 -1.03 2.43 9.36 0.09 -4.89 117.16 122.81 1jkf n TYR 349 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1jkf n TYR 349 Cb 0.64 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 1jkf n TYR 349 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1jkf n ASN 350 N 0.00 -1.37 0.00 2.98 5.15 -1.01 -4.87 115.26 116.14 1jkf n ASN 350 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1jkf n ASN 350 Cb 0.00 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 1jkf n ASN 350 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1jkf n HIS 351 N 0.28 0.00 -1.50 1.20 -0.00 0.16 -4.93 115.22 110.42 1jkf n HIS 351 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1jkf n HIS 351 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1jkf n HIS 351 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jkf n GLY 409 N 0.00 0.73 3.21 1.57 0.00 -1.26 -4.99 105.19 104.44 1jkf n GLY 409 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 1jkf n GLY 409 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkf s ASP 410 N -4.00 -0.44 -0.38 1.61 -0.00 -1.26 -0.62 116.67 111.59 1jkf s ASP 410 Ca 0.00 0.78 -0.10 0.00 -0.00 0.00 0.00 52.55 53.23 1jkf s ASP 410 Cb 0.00 0.67 0.01 0.00 -0.00 0.00 0.00 42.92 43.60 1jkf s ASP 410 CO 0.00 -0.18 0.36 -1.20 -0.00 0.00 0.00 175.17 174.15 1jkf n SER 411 N 4.13 -8.00 -4.37 0.27 7.64 -1.22 -4.79 113.62 107.28 1jkf n SER 411 Ca -0.23 0.90 -0.20 0.00 1.01 0.00 0.00 58.87 60.35 1jkf n SER 411 Cb 0.55 -5.38 -0.10 0.00 -1.01 0.00 0.00 64.21 58.27 1jkf n SER 411 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1jkf s LYS 412 N -2.22 1.41 -0.15 1.43 1.02 0.24 -4.90 119.74 116.56 1jkf s LYS 412 Ca 0.15 -1.62 0.01 0.00 0.02 0.00 0.00 55.97 54.54 1jkf s LYS 412 Cb -0.04 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.99 1jkf s LYS 412 CO 0.78 0.23 -0.18 0.54 -0.92 0.00 0.00 175.35 175.79 1jkf s VAL 413 N -2.78 1.84 0.07 3.17 0.11 -1.26 -2.36 120.40 119.19 1jkf s VAL 413 Ca 0.24 -0.82 0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1jkf s VAL 413 Cb -0.02 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1jkf s VAL 413 CO 0.09 0.51 -0.19 0.00 -3.33 0.00 0.00 175.10 172.18 1jkf s ALA 414 N 1.14 2.61 -0.24 1.54 0.00 0.22 0.36 121.76 127.40 1jkf s ALA 414 Ca -0.01 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 1jkf s ALA 414 Cb -0.14 -0.68 0.12 0.00 0.00 0.00 0.00 23.12 22.42 1jkf s ALA 414 CO -0.07 0.58 0.46 1.41 0.00 0.00 0.00 175.76 178.14 1jkf s MET 415 N -1.73 0.40 -0.10 0.00 0.00 -1.25 0.14 119.30 116.76 1jkf s MET 415 Ca 0.16 0.93 0.04 0.00 0.00 0.00 0.00 55.69 56.82 1jkf s MET 415 Cb -0.10 0.18 -0.00 0.00 0.00 0.00 0.00 34.83 34.91 1jkf s MET 415 CO 0.07 -0.41 -0.24 -0.51 0.00 0.00 0.00 175.02 173.93 1jkf s ASP 416 N 2.66 3.08 -0.08 1.11 1.11 -0.53 -0.73 116.67 123.29 1jkf s ASP 416 Ca 0.05 -0.55 0.04 0.00 0.18 0.00 0.00 52.55 52.27 1jkf s ASP 416 Cb -0.13 -1.36 -0.01 0.00 1.07 0.00 0.00 42.92 42.48 1jkf s ASP 416 CO -0.16 0.16 -0.20 -0.70 1.18 0.00 0.00 175.17 175.46 1jkf s GLU 417 N 0.31 2.78 -0.17 8.23 2.12 -1.16 -0.95 118.70 129.86 1jkf s GLU 417 Ca -0.18 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.32 1jkf s GLU 417 Cb -0.18 -2.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 1jkf s GLU 417 CO 0.09 0.38 -0.06 0.71 -0.54 0.00 0.00 175.26 175.83 1jkf s TYR 418 N -0.14 2.94 -0.35 5.30 1.51 0.16 -1.02 117.35 125.75 1jkf s TYR 418 Ca -0.03 -0.61 -0.07 0.00 -1.01 0.00 0.00 57.07 55.35 1jkf s TYR 418 Cb -0.14 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1jkf s TYR 418 CO 0.04 -0.26 0.13 -0.47 -1.11 0.00 0.00 175.55 173.88 1jkf s TYR 419 N 0.75 3.28 0.23 2.71 5.04 -1.06 -1.07 117.35 127.23 1jkf s TYR 419 Ca -0.03 -1.48 0.10 0.00 -2.44 0.00 0.00 57.07 53.22 1jkf s TYR 419 Cb -0.15 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.69 1jkf s TYR 419 CO 0.02 -0.76 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.27 1jkf s SER 420 N 1.53 4.22 -0.07 4.32 0.01 0.11 -1.61 113.70 122.22 1jkf s SER 420 Ca -0.00 -0.69 -0.15 0.00 1.31 0.00 0.00 55.95 56.42 1jkf s SER 420 Cb -0.20 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.30 1jkf s SER 420 CO 0.02 0.06 0.38 -1.61 0.41 0.00 0.00 173.24 172.50 1jkf s GLU 421 N -3.25 4.06 0.22 12.44 2.02 -0.97 0.30 118.70 133.52 1jkf s GLU 421 Ca 0.28 0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.61 1jkf s GLU 421 Cb -0.07 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.87 1jkf s GLU 421 CO 0.17 0.48 0.15 1.28 0.02 0.00 0.00 175.26 177.36 1jkf n LEU 422 N 2.62 0.00 -4.79 1.80 4.77 -0.62 -2.99 117.00 117.78 1jkf n LEU 422 Ca -0.12 -1.14 -0.35 0.00 -0.03 0.00 0.00 56.01 54.37 1jkf n LEU 422 Cb 0.52 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1jkf n LEU 422 CO 0.39 -0.37 0.72 0.00 -1.33 0.00 0.00 177.39 176.79 1jkf s MET 423 N -2.88 3.96 -1.11 3.23 0.23 -1.26 -4.01 119.30 117.46 1jkf s MET 423 Ca 0.12 1.41 -0.03 0.00 -1.03 0.00 0.00 55.69 56.16 1jkf s MET 423 Cb -0.01 -2.27 0.00 0.00 -1.53 0.00 0.00 34.83 31.02 1jkf s MET 423 CO 0.07 -0.30 0.94 1.28 -2.03 0.00 0.00 175.02 174.99 1jkf n LEU 424 N -0.60 -3.62 0.00 0.18 4.77 -1.26 -2.66 117.00 113.81 1jkf n LEU 424 Ca 0.08 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1jkf n LEU 424 Cb 0.51 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 1jkf n LEU 424 CO 0.41 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1jkf n GLY 425 N -1.36 0.80 3.76 -0.72 0.00 -1.26 -5.01 105.19 101.40 1jkf n GLY 425 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1jkf n GLY 425 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkf s GLY 426 N -2.00 1.61 0.07 -0.02 0.00 -1.09 -4.92 107.32 100.97 1jkf s GLY 426 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.46 1jkf s GLY 426 CO 0.00 0.25 0.01 0.30 0.00 0.00 0.00 173.10 173.66 1jkf s HIS 427 N -3.09 0.56 -0.04 1.90 3.76 -1.26 -1.58 115.29 115.53 1jkf s HIS 427 Ca 0.63 -1.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1jkf s HIS 427 Cb -0.16 -0.37 0.02 0.00 1.11 0.00 0.00 32.58 33.18 1jkf s HIS 427 CO 0.55 -0.43 -0.04 1.21 -0.85 0.00 0.00 174.74 175.18 1jkf s ASN 428 N -2.94 0.82 -0.27 1.40 3.84 0.15 -4.76 114.94 113.17 1jkf s ASN 428 Ca 0.11 -0.11 -0.01 0.00 0.21 0.00 0.00 52.86 53.06 1jkf s ASN 428 Cb 0.08 -0.40 0.04 0.00 -0.55 0.00 0.00 41.25 40.42 1jkf s ASN 428 CO -0.07 -0.05 -0.04 -0.60 -2.79 0.00 0.00 177.10 173.54 1jkf s ARG 429 N 0.87 2.55 -0.11 0.43 3.52 -1.26 0.07 118.95 125.03 1jkf s ARG 429 Ca -0.11 -1.17 0.03 0.00 -0.13 0.00 0.00 55.73 54.35 1jkf s ARG 429 Cb -0.14 -3.05 -0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1jkf s ARG 429 CO -0.00 -0.53 -0.21 0.42 -0.81 0.00 0.00 175.30 174.17 1jkf s ILE 430 N 1.25 2.27 -0.09 4.11 1.01 -0.24 -4.99 121.20 124.52 1jkf s ILE 430 Ca -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1jkf s ILE 430 Cb -0.19 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1jkf s ILE 430 CO -0.03 0.55 -0.15 -0.94 0.00 0.00 0.00 174.94 174.37 1jkf s SER 431 N 0.41 2.23 -0.24 3.58 1.04 -1.26 0.39 113.70 119.85 1jkf s SER 431 Ca -0.16 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 55.82 1jkf s SER 431 Cb -0.17 -1.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.91 1jkf s SER 431 CO 0.07 0.04 0.07 -0.63 0.98 0.00 0.00 173.24 173.77 1jkf s ILE 432 N 0.79 4.42 -0.15 -1.02 1.01 -0.13 -5.00 121.20 121.13 1jkf s ILE 432 Ca -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1jkf s ILE 432 Cb -0.16 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 1jkf s ILE 432 CO 0.02 0.36 -0.11 -2.28 0.00 0.00 0.00 174.94 172.93 1jkf s HIS 433 N 1.38 2.86 -0.07 3.97 2.46 -1.26 -1.45 115.29 123.18 1jkf s HIS 433 Ca 0.05 -0.73 -0.01 0.00 0.47 0.00 0.00 55.06 54.84 1jkf s HIS 433 Cb -0.15 -1.91 0.03 0.00 -0.13 0.00 0.00 32.58 30.41 1jkf s HIS 433 CO 0.04 -0.30 -0.02 1.21 -2.47 0.00 0.00 174.74 173.20 1jkf s ASN 434 N 0.65 1.44 -0.05 9.88 3.84 0.38 -4.98 114.94 126.09 1jkf s ASN 434 Ca -0.06 -0.12 0.01 0.00 0.21 0.00 0.00 52.86 52.90 1jkf s ASN 434 Cb -0.15 -0.48 0.02 0.00 -0.55 0.00 0.00 41.25 40.09 1jkf s ASN 434 CO 0.03 -0.14 -0.05 0.54 -2.79 0.00 0.00 177.10 174.68 1jkf s VAL 435 N 1.62 0.64 -0.05 -5.21 0.11 -1.26 0.71 120.40 116.97 1jkf s VAL 435 Ca 0.00 -0.16 -0.31 0.00 -2.93 0.00 0.00 61.98 58.58 1jkf s VAL 435 Cb -0.13 -0.66 0.13 0.00 -1.53 0.00 0.00 36.38 34.19 1jkf s VAL 435 CO -0.04 0.26 1.29 0.00 -3.33 0.00 0.00 175.10 173.27 1jkf s GLU 437 N -2.40 3.69 0.00 0.00 2.02 -1.26 -0.60 118.70 120.16 1jkf s GLU 437 Ca 0.14 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.51 1jkf s GLU 437 Cb 0.04 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.41 1jkf s GLU 437 CO -0.04 -1.10 0.70 -0.25 0.02 0.00 0.00 175.26 174.59 1jkf n ASP 438 N 7.02 0.00 -0.44 -0.19 10.43 -1.24 -1.65 116.55 130.47 1jkf n ASP 438 Ca 0.07 0.70 0.41 0.00 2.57 0.00 0.00 54.79 58.53 1jkf n ASP 438 Cb 0.48 -0.31 0.68 0.00 1.84 0.00 0.00 41.12 43.82 1jkf n ASP 438 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1jkf h SER 439 N 0.00 0.00 0.62 -2.24 0.02 -1.23 0.62 113.55 111.33 1jkf h SER 439 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jkf h SER 439 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jkf h SER 439 CO 0.00 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.58 1jkf n LEU 440 N -3.73 0.00 -0.07 5.07 7.94 -0.66 -1.24 117.00 124.32 1jkf n LEU 440 Ca 0.33 0.49 -0.11 0.00 -1.11 0.00 0.00 56.01 55.61 1jkf n LEU 440 Cb 1.66 -0.49 -0.06 0.00 0.53 0.00 0.00 43.42 45.07 1jkf n LEU 440 CO 0.36 -0.18 -0.94 0.18 -1.11 0.00 0.00 177.39 175.71 1jkf n LEU 441 N -1.49 2.46 0.06 -1.96 4.77 0.21 -4.48 117.00 116.57 1jkf n LEU 441 Ca 0.05 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1jkf n LEU 441 Cb 0.21 -0.44 0.31 0.00 -2.33 0.00 0.00 43.42 41.17 1jkf n LEU 441 CO 0.17 0.61 0.86 0.00 -1.33 0.00 0.00 177.39 177.69 1jkf h ALA 442 N -0.13 1.36 0.42 -1.18 0.00 -1.23 -2.97 119.26 115.52 1jkf h ALA 442 Ca -0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1jkf h ALA 442 Cb 1.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jkf h ALA 442 CO -0.09 0.44 -0.20 1.15 0.00 0.00 0.00 179.25 180.55 1jkf h THR 443 N 0.35 0.47 -0.68 0.00 2.02 -1.43 -1.98 112.91 111.66 1jkf h THR 443 Ca 0.07 -0.54 0.09 0.00 0.77 0.00 0.00 66.41 66.80 1jkf h THR 443 Cb 0.45 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1jkf h THR 443 CO 0.03 0.08 0.45 1.55 0.37 0.00 0.00 175.52 177.99 1jkf h PRO 444 N -0.92 0.53 0.00 6.66 0.13 -1.78 0.21 132.00 136.83 1jkf h PRO 444 Ca -0.06 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 1jkf h PRO 444 Cb 0.56 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1jkf h PRO 444 CO 0.09 0.35 -0.25 1.25 -0.23 0.00 0.00 178.00 179.21 1jkf h LEU 445 N 0.54 0.00 -0.29 1.56 6.46 -1.47 -0.98 115.31 121.13 1jkf h LEU 445 Ca 0.31 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.87 1jkf h LEU 445 Cb 0.49 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1jkf h LEU 445 CO -0.10 0.25 -0.83 0.40 -0.62 0.00 0.00 178.44 177.54 1jkf h ILE 446 N 0.00 1.40 -0.03 4.05 2.04 0.15 -2.36 117.51 122.76 1jkf h ILE 446 Ca -0.00 -2.30 -0.00 0.00 1.00 0.00 0.00 64.86 63.55 1jkf h ILE 446 Cb 0.49 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1jkf h ILE 446 CO 0.03 0.69 0.02 0.40 0.00 0.00 0.00 178.15 179.29 1jkf h ILE 447 N 0.25 1.04 -0.10 -0.67 2.04 -0.18 -2.06 117.51 117.83 1jkf h ILE 447 Ca -0.05 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1jkf h ILE 447 Cb 1.44 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1jkf h ILE 447 CO 0.14 0.03 -0.07 0.44 0.00 0.00 0.00 178.15 178.69 1jkf h ASP 448 N 0.01 -0.23 0.01 1.72 3.32 -1.17 0.08 116.42 120.15 1jkf h ASP 448 Ca 0.01 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1jkf h ASP 448 Cb 0.04 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1jkf h ASP 448 CO -0.00 -0.10 -0.44 -0.07 -1.72 0.00 0.00 179.24 176.90 1jkf h LEU 449 N -0.08 -1.35 -0.81 1.55 3.38 -1.27 0.20 115.31 116.93 1jkf h LEU 449 Ca 0.07 0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.34 1jkf h LEU 449 Cb 0.18 0.52 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 1jkf h LEU 449 CO -0.15 -0.48 0.38 -0.07 0.09 0.00 0.00 178.44 178.22 1jkf h LEU 450 N -0.60 0.43 -1.09 1.67 3.38 -1.07 0.12 115.31 118.14 1jkf h LEU 450 Ca 0.04 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1jkf h LEU 450 Cb 0.67 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1jkf h LEU 450 CO -0.32 0.18 -0.41 0.58 0.09 0.00 0.00 178.44 178.56 1jkf h VAL 451 N 0.55 1.10 0.01 1.22 2.07 -0.10 -2.73 116.25 118.37 1jkf h VAL 451 Ca 0.44 -1.49 -0.28 0.00 0.82 0.00 0.00 66.70 66.18 1jkf h VAL 451 Cb 0.63 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 1jkf h VAL 451 CO -0.37 0.40 -1.62 0.24 0.02 0.00 0.00 177.57 176.23 1jkf h MET 452 N 0.00 0.02 -0.00 1.57 2.86 0.92 -3.08 114.93 117.23 1jkf h MET 452 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1jkf h MET 452 Cb 0.82 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1jkf h MET 452 CO 0.05 0.61 -0.00 0.25 1.06 0.00 0.00 176.91 178.88 1jkf n THR 453 N -3.11 0.00 -0.03 2.22 -2.24 0.26 -1.70 114.28 109.67 1jkf n THR 453 Ca -0.15 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1jkf n THR 453 Cb 1.04 -0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1jkf n THR 453 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jkf h GLU 454 N 0.00 0.15 -0.14 -0.78 4.22 -1.54 -3.10 114.58 113.39 1jkf h GLU 454 Ca 0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 59.36 59.18 1jkf h GLU 454 Cb 0.31 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1jkf h GLU 454 CO 0.00 1.12 0.05 0.35 -2.18 0.00 0.00 179.01 178.35 1jkf h PHE 455 N -0.58 0.21 -0.58 0.92 3.57 -1.44 -2.99 116.94 116.05 1jkf h PHE 455 Ca -0.26 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.30 1jkf h PHE 455 Cb 1.52 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.14 1jkf h PHE 455 CO 0.15 0.30 0.25 0.00 -2.23 0.00 0.00 178.31 176.77 1jkf n THR 457 N -4.94 0.81 0.05 0.00 5.66 -1.13 -0.14 114.28 114.58 1jkf n THR 457 Ca 0.07 0.71 0.07 0.00 -3.05 0.00 0.00 64.05 61.86 1jkf n THR 457 Cb 0.22 -1.71 0.15 0.00 -1.55 0.00 0.00 70.33 67.45 1jkf n THR 457 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1jkf n ARG 458 N -2.01 2.23 -4.24 1.09 1.74 -0.06 -4.97 116.66 110.45 1jkf n ARG 458 Ca -0.01 -1.93 -0.30 0.00 -0.77 0.00 0.00 57.85 54.84 1jkf n ARG 458 Cb 0.23 -1.32 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 1jkf n ARG 458 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jkf s VAL 459 N -1.07 3.53 0.10 1.55 1.01 0.80 -0.94 120.40 125.38 1jkf s VAL 459 Ca 0.26 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1jkf s VAL 459 Cb 0.14 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.92 1jkf s VAL 459 CO 0.20 0.15 0.43 -0.94 0.00 0.00 0.00 175.10 174.94 1jkf s SER 460 N -2.13 -0.30 0.43 3.32 1.04 -0.78 -4.44 113.70 110.84 1jkf s SER 460 Ca 0.22 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.54 1jkf s SER 460 Cb -0.11 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1jkf s SER 460 CO 0.14 -0.80 0.14 0.00 0.98 0.00 0.00 173.24 173.71 1jkf n TYR 461 N 0.03 0.20 -3.74 5.02 0.18 0.61 0.42 117.16 119.87 1jkf n TYR 461 Ca -0.17 -2.73 -0.12 0.00 1.88 0.00 0.00 57.90 56.76 1jkf n TYR 461 Cb 0.62 -0.02 -0.12 0.00 -0.38 0.00 0.00 39.34 39.44 1jkf n TYR 461 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1jkf s LYS 462 N -3.64 0.30 -0.43 -3.48 2.20 0.24 0.45 119.74 115.39 1jkf s LYS 462 Ca 0.20 0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 56.11 1jkf s LYS 462 Cb 0.01 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.36 1jkf s LYS 462 CO 0.14 -0.12 0.89 0.15 -0.36 0.00 0.00 175.35 176.06 1jkf s LYS 463 N 0.87 3.61 -0.19 4.03 1.02 -1.26 0.34 119.74 128.16 1jkf s LYS 463 Ca -0.06 0.24 -0.18 0.00 0.02 0.00 0.00 55.97 55.99 1jkf s LYS 463 Cb -0.07 -3.89 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 1jkf s LYS 463 CO -0.06 -1.11 0.50 0.08 -0.92 0.00 0.00 175.35 173.84 1jkf s VAL 464 N 3.56 5.12 -0.26 3.17 1.01 -0.57 -4.02 120.40 128.41 1jkf s VAL 464 Ca 0.36 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 1jkf s VAL 464 Cb -0.11 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1jkf s VAL 464 CO 0.23 0.20 0.65 -0.62 0.00 0.00 0.00 175.10 175.56 1jkf s ASP 465 N 1.10 6.60 0.47 3.32 -1.08 -1.26 -4.11 116.67 121.71 1jkf s ASP 465 Ca 0.24 0.71 0.25 0.00 -0.52 0.00 0.00 52.55 53.22 1jkf s ASP 465 Cb -0.15 -2.35 1.37 0.00 -1.46 0.00 0.00 42.92 40.33 1jkf s ASP 465 CO 0.09 -0.41 1.74 1.55 0.52 0.00 0.00 175.17 178.67 1jkf h PRO 466 N 7.92 0.00 -0.92 4.34 0.13 -1.96 -2.88 132.00 138.62 1jkf h PRO 466 Ca -0.26 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.40 1jkf h PRO 466 Cb 1.12 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.83 1jkf h PRO 466 CO 0.79 0.00 -0.91 1.33 -0.23 0.00 0.00 178.00 178.98 1jkf n VAL 467 N -2.50 2.01 -2.67 1.56 0.24 -1.26 -4.87 118.33 110.84 1jkf n VAL 467 Ca -0.02 -3.98 -0.04 0.00 -2.04 0.00 0.00 64.34 58.27 1jkf n VAL 467 Cb 0.22 -0.41 0.05 0.00 -1.47 0.00 0.00 33.84 32.23 1jkf n VAL 467 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1jkf n LYS 468 N -0.53 0.11 -1.22 7.34 4.81 -1.08 -5.14 118.16 122.44 1jkf n LYS 468 Ca 0.30 -0.74 -0.47 0.00 -0.87 0.00 0.00 58.31 56.53 1jkf n LYS 468 Cb 0.83 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.82 1jkf n LYS 468 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1jkf n GLU 469 N 2.15 0.00 -3.36 1.64 2.13 -1.26 -3.45 120.64 118.49 1jkf n GLU 469 Ca 0.07 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.79 1jkf n GLU 469 Cb 0.67 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.20 1jkf n GLU 469 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1jkf n ASP 470 N 1.26 -6.57 -1.42 4.31 -0.08 -1.26 -4.96 116.55 107.83 1jkf n ASP 470 Ca 0.16 -0.43 0.04 0.00 -1.51 0.00 0.00 54.79 53.06 1jkf n ASP 470 Cb 0.08 -3.79 0.31 0.00 2.34 0.00 0.00 41.12 40.06 1jkf n ASP 470 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jkf n ALA 471 N -2.08 3.66 -2.80 -1.67 0.00 -1.22 -5.01 120.51 111.39 1jkf n ALA 471 Ca -0.13 -2.27 -0.32 0.00 0.00 0.00 0.00 53.44 50.72 1jkf n ALA 471 Cb 0.58 -0.94 -0.16 0.00 0.00 0.00 0.00 19.45 18.93 1jkf n ALA 471 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jkf s GLY 472 N -1.47 1.35 -0.41 0.00 0.00 -1.26 -4.89 107.32 100.65 1jkf s GLY 472 Ca 0.49 -1.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 1jkf s GLY 472 CO 0.11 -0.58 0.27 1.25 0.00 0.00 0.00 173.10 174.15 1jkf s LYS 473 N -0.11 2.86 -0.23 2.90 2.36 -1.26 -4.95 119.74 121.32 1jkf s LYS 473 Ca -0.05 -1.15 -0.40 0.00 -2.55 0.00 0.00 55.97 51.83 1jkf s LYS 473 Cb -0.14 -3.88 -0.16 0.00 -1.05 0.00 0.00 37.83 32.60 1jkf s LYS 473 CO 0.04 -0.80 1.66 1.19 1.55 0.00 0.00 175.35 179.00 1jkf n PHE 474 N 5.07 1.92 -3.93 4.03 3.01 -1.26 -4.84 117.46 121.47 1jkf n PHE 474 Ca -0.11 0.60 -0.22 0.00 1.01 0.00 0.00 57.45 58.73 1jkf n PHE 474 Cb 0.46 -2.42 -0.05 0.00 -0.01 0.00 0.00 39.48 37.46 1jkf n PHE 474 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1jkf s GLU 475 N 2.96 2.49 -0.02 -1.08 0.41 0.17 -4.85 118.70 118.78 1jkf s GLU 475 Ca 0.97 -1.50 -0.01 0.00 -0.41 0.00 0.00 54.97 54.02 1jkf s GLU 475 Cb -1.09 -2.28 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 1jkf s GLU 475 CO 0.64 0.03 0.05 -0.80 -0.49 0.00 0.00 175.26 174.69 1jkf s ASN 476 N -3.94 5.51 0.02 -0.19 0.02 -1.26 -0.29 114.94 114.81 1jkf s ASN 476 Ca 0.41 0.13 -0.32 0.00 -1.02 0.00 0.00 52.86 52.05 1jkf s ASN 476 Cb -0.03 -1.56 -0.16 0.00 0.02 0.00 0.00 41.25 39.52 1jkf s ASN 476 CO 0.25 0.30 0.84 0.49 0.02 0.00 0.00 177.10 179.00 1jkf n PHE 477 N 1.42 0.43 -1.67 2.20 3.72 -1.26 -4.70 117.46 117.60 1jkf n PHE 477 Ca -0.15 0.88 -0.50 0.00 -0.05 0.00 0.00 57.45 57.63 1jkf n PHE 477 Cb 0.53 -1.74 -0.05 0.00 -0.94 0.00 0.00 39.48 37.28 1jkf n PHE 477 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1jkf n TYR 478 N 1.11 2.11 -0.03 1.38 9.36 -1.26 -4.79 117.16 125.05 1jkf n TYR 478 Ca 0.17 0.30 -0.00 0.00 3.32 0.00 0.00 57.90 61.68 1jkf n TYR 478 Cb 0.08 -2.53 -0.00 0.00 -0.63 0.00 0.00 39.34 36.26 1jkf n TYR 478 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1jkf n PRO 479 N 4.78 -0.03 -2.52 2.98 -0.01 -1.26 -3.59 135.00 135.35 1jkf n PRO 479 Ca 0.21 0.12 -0.40 0.00 -0.01 0.00 0.00 63.50 63.42 1jkf n PRO 479 Cb 0.24 -0.18 -0.02 0.00 -0.01 0.00 0.00 33.50 33.53 1jkf n PRO 479 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 1jkf s VAL 480 N -5.06 3.95 -0.78 -1.45 -7.23 -1.26 -1.93 120.40 106.65 1jkf s VAL 480 Ca -0.01 -1.17 -0.24 0.00 -1.81 0.00 0.00 61.98 58.75 1jkf s VAL 480 Cb 0.01 -5.03 -0.17 0.00 0.56 0.00 0.00 36.38 31.74 1jkf s VAL 480 CO 0.05 -1.88 2.43 0.18 -0.31 0.00 0.00 175.10 175.57 1jkf n LEU 481 N 9.20 1.01 -0.00 1.32 4.77 -0.62 -4.64 117.00 128.04 1jkf n LEU 481 Ca 0.40 -0.66 0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1jkf n LEU 481 Cb 0.49 -1.26 0.82 0.00 -2.33 0.00 0.00 43.42 41.13 1jkf n LEU 481 CO 0.70 -1.68 1.05 0.35 -1.33 0.00 0.00 177.39 176.48 1jkf n THR 482 N 7.64 0.00 0.28 -5.08 -2.24 -1.26 -3.21 114.28 110.42 1jkf n THR 482 Ca 0.52 -0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.46 1jkf n THR 482 Cb 0.33 -0.50 0.81 0.00 -2.10 0.00 0.00 70.33 68.87 1jkf n THR 482 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1jkf h PHE 483 N 0.00 0.00 0.00 4.78 -1.00 -1.98 -2.84 116.94 115.91 1jkf h PHE 483 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1jkf h PHE 483 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1jkf h PHE 483 CO 0.00 0.07 -0.25 -0.07 -1.61 0.00 0.00 178.31 176.45 1jkf h LEU 484 N 0.00 0.00 -0.62 1.54 -0.00 -1.94 -3.40 115.31 110.89 1jkf h LEU 484 Ca -0.00 -0.08 0.15 0.00 -0.00 0.00 0.00 57.88 57.95 1jkf h LEU 484 Cb 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.87 1jkf h LEU 484 CO 0.01 0.04 -0.07 -1.20 -0.00 0.00 0.00 178.44 177.22 1jkf n SER 485 N -2.23 -0.14 -0.32 -0.43 7.64 -1.07 -0.08 113.62 116.98 1jkf n SER 485 Ca 0.05 1.06 0.33 0.00 1.01 0.00 0.00 58.87 61.32 1jkf n SER 485 Cb 0.44 -0.36 0.51 0.00 -1.01 0.00 0.00 64.21 63.79 1jkf n SER 485 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jkf n TYR 486 N -4.90 0.00 0.79 1.43 4.19 -1.26 0.26 117.16 117.67 1jkf n TYR 486 Ca 0.12 0.00 0.09 0.00 3.31 0.00 0.00 57.90 61.42 1jkf n TYR 486 Cb 0.40 -0.30 0.03 0.00 0.49 0.00 0.00 39.34 39.95 1jkf n TYR 486 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 1jkf n TRP 487 N -3.33 0.00 -4.34 2.98 8.01 0.88 -4.86 117.44 116.78 1jkf n TRP 487 Ca 0.27 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 56.23 1jkf n TRP 487 Cb 1.60 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 30.82 1jkf n TRP 487 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1jkf s LEU 488 N -1.96 3.01 -0.17 -0.99 2.01 0.14 0.13 118.68 120.86 1jkf s LEU 488 Ca 0.17 -0.78 -0.21 0.00 0.01 0.00 0.00 54.13 53.32 1jkf s LEU 488 Cb 0.15 -1.52 -0.22 0.00 0.01 0.00 0.00 46.19 44.61 1jkf s LEU 488 CO 0.38 -0.02 0.39 0.50 1.01 0.00 0.00 176.35 178.61 1jkf h LYS 489 N 1.97 0.07 -3.51 1.70 3.64 -0.98 -3.41 116.57 116.05 1jkf h LYS 489 Ca -0.43 -0.12 -0.72 0.00 -1.27 0.00 0.00 60.65 58.11 1jkf h LYS 489 Cb 1.25 0.05 -0.34 0.00 -0.41 0.00 0.00 32.23 32.78 1jkf h LYS 489 CO 0.61 1.06 -0.18 0.00 -2.27 0.00 0.00 179.45 178.66 1jkf s ALA 490 N -2.38 3.91 -0.61 5.00 0.00 -0.68 -5.03 121.76 121.97 1jkf s ALA 490 Ca -0.25 -3.49 -0.26 0.00 0.00 0.00 0.00 51.96 47.96 1jkf s ALA 490 Cb 0.04 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 1jkf s ALA 490 CO 0.66 -2.15 2.30 -2.14 0.00 0.00 0.00 175.76 174.43 1jkf s PRO 491 N -0.52 2.07 0.96 0.00 0.02 -1.26 -4.36 135.00 131.92 1jkf s PRO 491 Ca 0.21 0.96 -0.15 0.00 0.02 0.00 0.00 61.00 62.04 1jkf s PRO 491 Cb -0.14 -4.64 -0.04 0.00 0.02 0.00 0.00 34.50 29.70 1jkf s PRO 491 CO -0.07 -3.50 -0.08 -0.11 -0.33 0.00 0.00 177.00 172.90 1jkf n LEU 492 N 16.04 -2.57 -3.61 -5.54 0.00 -1.23 -4.73 117.00 115.36 1jkf n LEU 492 Ca 0.37 0.28 -0.11 0.00 0.00 0.00 0.00 56.01 56.55 1jkf n LEU 492 Cb 0.51 -1.03 -0.04 0.00 0.00 0.00 0.00 43.42 42.86 1jkf n LEU 492 CO 0.66 -4.61 0.19 0.28 0.00 0.00 0.00 177.39 173.91 1jkf s THR 493 N -2.23 0.06 0.35 1.96 -1.32 -1.26 -4.89 115.64 108.32 1jkf s THR 493 Ca 0.50 -0.49 -0.28 0.00 -1.21 0.00 0.00 61.69 60.21 1jkf s THR 493 Cb -0.20 -1.12 -0.12 0.00 -1.51 0.00 0.00 72.50 69.55 1jkf s THR 493 CO 0.74 -0.27 1.31 -1.14 -2.21 0.00 0.00 174.62 173.05 1jkf n ARG 494 N -0.14 2.19 -0.12 7.08 0.63 -1.26 -4.84 116.66 120.19 1jkf n ARG 494 Ca -0.16 0.77 0.07 0.00 -0.92 0.00 0.00 57.85 57.60 1jkf n ARG 494 Cb 0.63 -2.37 0.13 0.00 0.45 0.00 0.00 32.46 31.30 1jkf n ARG 494 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1jkf n PRO 495 N 0.51 -0.03 -0.10 -0.14 -0.02 -1.26 -1.60 135.00 132.37 1jkf n PRO 495 Ca 0.04 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.10 1jkf n PRO 495 Cb 0.37 -0.84 0.12 0.00 -0.02 0.00 0.00 33.50 33.13 1jkf n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkf n GLY 496 N -1.15 1.26 3.89 -1.23 0.00 -1.26 -5.01 105.19 101.68 1jkf n GLY 496 Ca 0.10 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1jkf n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jkf s PHE 497 N -1.06 3.48 -0.25 1.61 0.40 -0.63 -5.07 117.98 116.47 1jkf s PHE 497 Ca 0.21 0.28 -0.20 0.00 -0.60 0.00 0.00 56.93 56.62 1jkf s PHE 497 Cb 0.13 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1jkf s PHE 497 CO 0.18 0.60 0.62 -1.01 0.70 0.00 0.00 175.22 176.31 1jkf s HIS 498 N -1.39 3.28 0.88 0.36 3.76 -1.26 -4.76 115.29 116.16 1jkf s HIS 498 Ca 0.30 0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 55.86 1jkf s HIS 498 Cb -0.13 -2.83 -0.06 0.00 1.11 0.00 0.00 32.58 30.68 1jkf s HIS 498 CO 0.22 -0.32 -0.02 -0.35 -0.85 0.00 0.00 174.74 173.43 1jkf n PRO 499 N 5.68 -0.05 -4.63 8.40 -0.04 -1.26 -5.00 135.00 138.09 1jkf n PRO 499 Ca -0.01 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1jkf n PRO 499 Cb 0.49 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 1jkf n PRO 499 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jkf s VAL 500 N -2.13 1.58 0.00 0.52 1.01 -1.26 -5.12 120.40 115.00 1jkf s VAL 500 Ca 0.53 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1jkf s VAL 500 Cb -0.25 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1jkf s VAL 500 CO 0.71 0.46 0.00 0.59 0.00 0.00 0.00 175.10 176.85 1jkf n ASN 501 N 4.00 1.83 -0.18 3.32 5.03 -1.26 -4.90 115.26 123.10 1jkf n ASN 501 Ca -0.20 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.34 1jkf n ASN 501 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1jkf n ASN 501 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jkf n GLY 502 N 4.56 0.67 0.07 7.41 0.00 -1.26 -4.65 105.19 112.00 1jkf n GLY 502 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.36 1jkf n GLY 502 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jkf n LEU 503 N -0.12 -0.09 -0.19 0.99 7.94 -1.26 0.50 117.00 124.78 1jkf n LEU 503 Ca 0.00 0.33 -0.05 0.00 -1.11 0.00 0.00 56.01 55.18 1jkf n LEU 503 Cb 0.06 -0.09 0.04 0.00 0.53 0.00 0.00 43.42 43.96 1jkf n LEU 503 CO 0.00 -0.31 1.08 0.78 -1.11 0.00 0.00 177.39 177.83 1jkf h ASN 504 N 0.00 0.57 -0.01 1.96 4.21 -1.98 0.83 115.58 121.15 1jkf h ASN 504 Ca 0.08 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.59 1jkf h ASN 504 Cb 0.13 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1jkf h ASN 504 CO -0.20 0.40 0.00 0.11 -1.29 0.00 0.00 177.43 176.45 1jkf h LYS 505 N 0.68 0.02 -0.80 0.81 1.57 -0.25 -2.59 116.57 116.02 1jkf h LYS 505 Ca 0.22 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.18 1jkf h LYS 505 Cb -0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1jkf h LYS 505 CO -0.09 0.31 0.55 1.96 -0.57 0.00 0.00 179.45 181.61 1jkf h GLN 506 N -0.26 0.28 0.02 3.15 4.20 -1.00 -0.94 115.11 120.55 1jkf h GLN 506 Ca 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1jkf h GLN 506 Cb 0.30 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1jkf h GLN 506 CO 0.00 0.18 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.09 1jkf h ARG 507 N 0.29 0.08 -0.48 1.46 2.43 -0.73 -3.23 114.38 114.20 1jkf h ARG 507 Ca 0.40 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 1jkf h ARG 507 Cb 1.14 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 1jkf h ARG 507 CO -0.11 0.96 0.08 1.79 -1.51 0.00 0.00 179.97 181.19 1jkf h THR 508 N -0.76 0.73 -0.80 0.20 1.35 -0.99 0.24 112.91 112.88 1jkf h THR 508 Ca -0.02 -0.07 0.15 0.00 -0.55 0.00 0.00 66.41 65.91 1jkf h THR 508 Cb 1.03 0.49 -0.15 0.00 -1.73 0.00 0.00 68.15 67.80 1jkf h THR 508 CO 0.03 0.04 -0.27 0.00 -0.25 0.00 0.00 175.52 175.07 1jkf h ALA 509 N 1.37 0.34 -0.41 6.62 0.00 -1.30 0.87 119.26 126.77 1jkf h ALA 509 Ca 0.24 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1jkf h ALA 509 Cb 0.32 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1jkf h ALA 509 CO -0.32 -0.50 0.09 -0.07 0.00 0.00 0.00 179.25 178.45 1jkf h LEU 510 N -0.04 0.63 -0.49 0.00 3.38 -0.98 -1.49 115.31 116.32 1jkf h LEU 510 Ca 0.35 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1jkf h LEU 510 Cb 0.59 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1jkf h LEU 510 CO -0.83 0.71 0.29 -0.33 0.09 0.00 0.00 178.44 178.37 1jkf h GLU 511 N 0.52 0.57 -0.55 1.13 5.08 0.28 -2.43 114.58 119.19 1jkf h GLU 511 Ca 0.13 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1jkf h GLU 511 Cb 0.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1jkf h GLU 511 CO 0.00 0.38 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.44 1jkf h ASN 512 N 0.59 0.95 -0.55 1.42 -0.26 0.68 -0.65 115.58 117.76 1jkf h ASN 512 Ca 0.20 -0.27 0.06 0.00 -0.56 0.00 0.00 56.30 55.72 1jkf h ASN 512 Cb 0.01 -0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 36.96 1jkf h ASN 512 CO -0.09 1.03 0.26 0.15 -1.06 0.00 0.00 177.43 177.72 1jkf h PHE 513 N 0.88 0.48 -0.17 1.19 -0.00 -1.06 0.10 116.94 118.36 1jkf h PHE 513 Ca 0.15 0.02 -0.13 0.00 -0.00 0.00 0.00 57.97 58.02 1jkf h PHE 513 Cb 0.57 -0.13 -0.01 0.00 -0.00 0.00 0.00 35.95 36.38 1jkf h PHE 513 CO 0.04 0.20 -0.43 -0.07 -0.00 0.00 0.00 178.31 178.05 1jkf h LEU 514 N 0.50 0.44 0.26 0.59 3.38 -1.17 -2.48 115.31 116.82 1jkf h LEU 514 Ca 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1jkf h LEU 514 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jkf h LEU 514 CO -0.20 0.82 -0.13 0.03 0.09 0.00 0.00 178.44 179.05 1jkf h ARG 515 N 0.34 -0.34 -0.75 1.13 3.08 -0.03 -3.12 114.38 114.69 1jkf h ARG 515 Ca 0.03 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.24 1jkf h ARG 515 Cb 0.90 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.93 1jkf h ARG 515 CO 0.08 -0.17 0.29 1.25 -1.07 0.00 0.00 179.97 180.35 1jkf h LEU 516 N -0.42 0.27 -1.85 3.04 6.46 -0.73 0.32 115.31 122.39 1jkf h LEU 516 Ca -0.04 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1jkf h LEU 516 Cb 0.32 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1jkf h LEU 516 CO 0.06 0.10 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.77 1jkf h LEU 517 N 0.43 0.00 -3.28 2.25 3.38 -1.38 0.14 115.31 116.84 1jkf h LEU 517 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1jkf h LEU 517 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jkf h LEU 517 CO -0.41 0.14 0.00 2.30 0.09 0.00 0.00 178.44 180.56 1jkf n ILE 518 N -3.82 2.16 -1.08 1.22 -5.35 -0.68 -4.80 119.36 107.01 1jkf n ILE 518 Ca -0.02 -1.38 -0.03 0.00 -0.27 0.00 0.00 62.75 61.05 1jkf n ILE 518 Cb 0.24 -0.05 -0.01 0.00 -1.74 0.00 0.00 39.64 38.08 1jkf n ILE 518 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jkf n GLY 519 N 0.61 0.61 3.91 3.28 0.00 0.03 -4.73 105.19 108.90 1jkf n GLY 519 Ca 0.25 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1jkf n GLY 519 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkf s LEU 520 N -0.66 4.36 0.92 0.99 1.43 0.02 -4.94 118.68 120.80 1jkf s LEU 520 Ca 0.00 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1jkf s LEU 520 Cb 0.00 -2.76 0.14 0.00 0.03 0.00 0.00 46.19 43.60 1jkf s LEU 520 CO 0.00 0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.75 1jkf s PRO 521 N -2.18 1.07 0.14 1.29 0.04 -1.26 -2.97 135.00 131.12 1jkf s PRO 521 Ca 0.31 0.51 -0.31 0.00 0.04 0.00 0.00 61.00 61.54 1jkf s PRO 521 Cb -0.13 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1jkf s PRO 521 CO 0.23 -2.29 1.64 0.45 0.04 0.00 0.00 177.00 177.07 1jkf s SER 522 N -3.72 6.55 0.28 6.66 0.15 -1.26 -4.83 113.70 117.52 1jkf s SER 522 Ca 0.64 2.62 -0.30 0.00 0.70 0.00 0.00 55.95 59.61 1jkf s SER 522 Cb -0.16 -2.58 -0.13 0.00 -1.71 0.00 0.00 66.02 61.43 1jkf s SER 522 CO 0.55 -0.88 1.28 0.00 1.20 0.00 0.00 173.24 175.39 1jkf n GLN 523 N 4.67 1.87 0.00 5.44 1.13 -1.26 -4.91 117.38 124.32 1jkf n GLN 523 Ca 0.15 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.87 1jkf n GLN 523 Cb 0.39 -2.23 0.00 0.00 0.11 0.00 0.00 30.24 28.51 1jkf n GLN 523 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1jkf n ASN 524 N 1.52 2.01 -1.00 1.08 0.23 -1.26 -5.03 115.26 112.81 1jkf n ASN 524 Ca 0.09 -0.15 -0.11 0.00 -0.53 0.00 0.00 54.58 53.89 1jkf n ASN 524 Cb 0.32 0.69 -0.05 0.00 -2.08 0.00 0.00 39.78 38.67 1jkf n ASN 524 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jkf n GLU 525 N -0.89 -1.54 0.23 -3.83 -0.58 -1.26 -4.78 120.64 107.99 1jkf n GLU 525 Ca 0.00 0.74 0.12 0.00 -0.42 0.00 0.00 57.16 57.59 1jkf n GLU 525 Cb 0.00 -4.92 0.37 0.00 -0.57 0.00 0.00 31.44 26.32 1jkf n GLU 525 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1jkf h LEU 526 N 0.00 0.00 -3.81 -4.62 3.38 -2.00 -3.47 115.31 104.78 1jkf h LEU 526 Ca -0.22 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.30 1jkf h LEU 526 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1jkf h LEU 526 CO 0.32 0.12 -0.78 0.54 0.09 0.00 0.00 178.44 178.73 1jkf n ARG 527 N -3.18 -0.45 0.08 1.13 1.74 -1.26 -4.78 116.66 109.93 1jkf n ARG 527 Ca 0.02 -0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.14 1jkf n ARG 527 Cb 0.47 -1.62 0.39 0.00 -1.02 0.00 0.00 32.46 30.68 1jkf n ARG 527 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jkf n PHE 528 N -3.95 0.45 0.98 -1.55 3.72 -1.26 -3.09 117.46 112.76 1jkf n PHE 528 Ca -0.10 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1jkf n PHE 528 Cb 0.43 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 1jkf n PHE 528 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1jkf n GLU 529 N -1.93 0.98 0.00 -1.08 0.00 -1.26 -3.47 120.64 113.88 1jkf n GLU 529 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1jkf n GLU 529 Cb 0.15 -1.06 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1jkf n GLU 529 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1jkf n GLU 530 N 0.46 0.00 0.00 3.44 2.13 -1.19 -4.89 120.64 120.59 1jkf n GLU 530 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 1jkf n GLU 530 Cb 0.46 0.00 0.56 0.00 0.27 0.00 0.00 31.44 32.73 1jkf n GLU 530 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1jkf n ARG 531 N -0.72 0.45 -2.68 5.31 0.63 -1.18 -4.37 116.66 114.11 1jkf n ARG 531 Ca 0.00 0.05 -0.02 0.00 -0.92 0.00 0.00 57.85 56.96 1jkf n ARG 531 Cb 0.00 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.44 1jkf n ARG 531 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1jkf s LEU 532 N -2.32 -0.19 0.00 6.15 -0.00 -1.23 -5.06 118.68 116.03 1jkf s LEU 532 Ca 0.24 -0.20 0.27 0.00 -0.00 0.00 0.00 54.13 54.45 1jkf s LEU 532 Cb 0.14 0.25 0.93 0.00 -0.00 0.00 0.00 46.19 47.51 1jkf s LEU 532 CO 0.28 -0.01 1.68 0.18 -0.00 0.00 0.00 176.35 178.48