#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1j s THR 10 N 0.00 5.02 0.16 1.39 -4.23 -1.26 -5.09 115.64 111.63 1p1j s THR 10 Ca 0.00 0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 1p1j s THR 10 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 1p1j s THR 10 CO 0.00 0.48 0.15 -0.94 -0.54 0.00 0.00 174.62 173.77 1p1j s SER 11 N -1.29 0.19 -0.03 3.99 1.04 -1.26 -4.84 113.70 111.50 1p1j s SER 11 Ca 0.27 -1.16 0.04 0.00 0.48 0.00 0.00 55.95 55.58 1p1j s SER 11 Cb -0.16 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 1p1j s SER 11 CO 0.15 -0.81 -0.13 -0.69 0.98 0.00 0.00 173.24 172.74 1p1j s VAL 12 N -4.05 1.09 -0.17 5.02 1.01 -1.24 -5.02 120.40 117.04 1p1j s VAL 12 Ca 0.26 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1p1j s VAL 12 Cb 0.06 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.56 1p1j s VAL 12 CO 0.04 0.32 0.03 -0.75 0.00 0.00 0.00 175.10 174.74 1p1j s LYS 13 N -0.01 0.69 -0.17 2.72 2.47 -1.26 -5.00 119.74 119.18 1p1j s LYS 13 Ca -0.01 -0.34 -0.12 0.00 -1.56 0.00 0.00 55.97 53.94 1p1j s LYS 13 Cb -0.09 -1.92 -0.05 0.00 -1.46 0.00 0.00 37.83 34.31 1p1j s LYS 13 CO 0.01 -0.57 0.22 0.08 0.16 0.00 0.00 175.35 175.24 1p1j s VAL 14 N 1.87 5.36 -0.54 4.02 1.01 -1.26 -5.04 120.40 125.82 1p1j s VAL 14 Ca 0.00 0.38 -0.27 0.00 0.00 0.00 0.00 61.98 62.09 1p1j s VAL 14 Cb -0.16 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1p1j s VAL 14 CO -0.07 0.44 1.07 -0.69 0.00 0.00 0.00 175.10 175.84 1p1j s VAL 15 N 0.23 4.22 -0.13 2.92 1.01 -1.26 -4.97 120.40 122.42 1p1j s VAL 15 Ca 0.13 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 1p1j s VAL 15 Cb -0.12 -4.61 0.06 0.00 0.00 0.00 0.00 36.38 31.71 1p1j s VAL 15 CO 0.02 -1.14 0.64 0.28 0.00 0.00 0.00 175.10 174.90 1p1j s THR 16 N 4.40 0.00 -2.37 3.92 -1.32 -1.26 -5.01 115.64 114.00 1p1j s THR 16 Ca 0.39 -0.04 0.24 0.00 -1.21 0.00 0.00 61.69 61.07 1p1j s THR 16 Cb -0.09 -0.93 0.49 0.00 -1.51 0.00 0.00 72.50 70.46 1p1j s THR 16 CO 0.25 -0.02 1.63 -0.90 -2.21 0.00 0.00 174.62 173.36 1p1j n ASP 17 N 1.70 1.62 0.13 8.08 5.68 -1.26 -3.68 116.55 128.82 1p1j n ASP 17 Ca -0.17 -1.63 0.12 0.00 -0.50 0.00 0.00 54.79 52.62 1p1j n ASP 17 Cb 0.56 -0.06 0.22 0.00 -1.14 0.00 0.00 41.12 40.70 1p1j n ASP 17 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1p1j h LYS 18 N 2.31 0.00 -5.54 0.11 1.57 -1.94 -3.45 116.57 109.63 1p1j h LYS 18 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1p1j h LYS 18 Cb 0.50 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.54 1p1j h LYS 18 CO 0.00 0.00 -0.77 0.00 -0.57 0.00 0.00 179.45 178.11 1p1j s THR 20 N 0.12 0.82 -0.07 0.00 -4.23 -0.21 -4.93 115.64 107.14 1p1j s THR 20 Ca -0.07 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1p1j s THR 20 Cb -0.15 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 1p1j s THR 20 CO 0.05 0.18 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.94 1p1j s TYR 21 N -0.35 2.97 -0.29 3.99 1.51 -1.26 -0.83 117.35 123.09 1p1j s TYR 21 Ca 0.03 0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 56.03 1p1j s TYR 21 Cb -0.05 -1.72 0.12 0.00 -0.11 0.00 0.00 41.96 40.20 1p1j s TYR 21 CO -0.00 0.35 0.63 0.21 -1.11 0.00 0.00 175.55 175.64 1p1j s LYS 22 N -0.84 0.58 -0.99 -0.62 2.20 -0.13 -4.98 119.74 114.96 1p1j s LYS 22 Ca 0.13 1.37 -0.14 0.00 -0.36 0.00 0.00 55.97 56.96 1p1j s LYS 22 Cb -0.11 0.67 0.01 0.00 -1.51 0.00 0.00 37.83 36.89 1p1j s LYS 22 CO 0.02 -0.19 0.66 -0.25 -0.36 0.00 0.00 175.35 175.23 1p1j n ASP 23 N 5.19 -4.92 -1.88 1.43 9.92 -1.26 -0.91 116.55 124.12 1p1j n ASP 23 Ca -0.14 -1.02 -0.18 0.00 -0.53 0.00 0.00 54.79 52.92 1p1j n ASP 23 Cb 0.51 -2.18 -0.05 0.00 -0.64 0.00 0.00 41.12 38.76 1p1j n ASP 23 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1p1j n ASN 24 N -2.41 -5.01 -4.15 -2.24 3.02 -1.26 -4.96 115.26 98.24 1p1j n ASN 24 Ca -0.20 0.29 -0.25 0.00 -0.03 0.00 0.00 54.58 54.40 1p1j n ASN 24 Cb 0.62 -4.36 -0.15 0.00 -0.61 0.00 0.00 39.78 35.28 1p1j n ASN 24 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1p1j s GLU 25 N -4.15 1.44 -0.18 3.52 0.41 -0.09 -0.81 118.70 118.86 1p1j s GLU 25 Ca 0.00 -0.60 -0.03 0.00 -0.41 0.00 0.00 54.97 53.92 1p1j s GLU 25 Cb 0.00 -1.37 -0.02 0.00 -1.78 0.00 0.00 34.13 30.96 1p1j s GLU 25 CO 0.00 0.34 -0.06 -1.17 -0.49 0.00 0.00 175.26 173.89 1p1j s LEU 26 N -0.32 3.01 -0.18 1.80 2.96 -0.39 -0.95 118.68 124.60 1p1j s LEU 26 Ca 0.05 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1p1j s LEU 26 Cb -0.07 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1p1j s LEU 26 CO -0.00 0.09 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.23 1p1j s LEU 27 N 0.80 2.54 -0.08 -0.68 1.02 -0.01 -0.49 118.68 121.78 1p1j s LEU 27 Ca -0.02 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.68 1p1j s LEU 27 Cb -0.15 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.47 1p1j s LEU 27 CO 0.02 0.04 -0.16 -0.89 0.02 0.00 0.00 176.35 175.38 1p1j s THR 28 N 1.11 1.41 0.15 5.49 2.01 0.55 -1.05 115.64 125.31 1p1j s THR 28 Ca 0.00 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 1p1j s THR 28 Cb -0.14 -1.26 -0.08 0.00 0.01 0.00 0.00 72.50 71.03 1p1j s THR 28 CO -0.04 0.42 0.71 -0.54 -0.69 0.00 0.00 174.62 174.47 1p1j s LYS 29 N 0.59 4.40 -0.15 4.92 1.02 -0.07 0.13 119.74 130.57 1p1j s LYS 29 Ca -0.15 0.98 -0.10 0.00 0.02 0.00 0.00 55.97 56.71 1p1j s LYS 29 Cb -0.16 -3.18 0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1p1j s LYS 29 CO 0.05 0.56 0.39 -0.47 -0.92 0.00 0.00 175.35 174.95 1p1j s TYR 30 N -1.21 -0.51 -0.37 3.18 5.04 -0.30 -4.90 117.35 118.28 1p1j s TYR 30 Ca 0.35 1.14 -0.11 0.00 -2.44 0.00 0.00 57.07 56.01 1p1j s TYR 30 Cb -0.21 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.32 1p1j s TYR 30 CO 0.23 -0.28 0.21 0.45 -1.34 0.00 0.00 175.55 174.82 1p1j s SER 31 N 0.94 5.76 -0.29 4.32 0.15 -1.26 -0.05 113.70 123.27 1p1j s SER 31 Ca -0.06 -0.95 -0.21 0.00 0.70 0.00 0.00 55.95 55.43 1p1j s SER 31 Cb -0.06 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1p1j s SER 31 CO -0.07 -0.38 0.68 -0.47 1.20 0.00 0.00 173.24 174.19 1p1j s TYR 32 N 1.57 3.23 -0.05 3.44 6.14 0.20 -4.93 117.35 126.95 1p1j s TYR 32 Ca 0.02 0.72 0.01 0.00 0.64 0.00 0.00 57.07 58.47 1p1j s TYR 32 Cb -0.19 -3.01 -0.03 0.00 0.42 0.00 0.00 41.96 39.15 1p1j s TYR 32 CO 0.07 -0.45 -0.06 -1.21 0.64 0.00 0.00 175.55 174.54 1p1j s GLU 33 N 2.67 2.72 0.00 4.97 2.02 -1.26 -1.40 118.70 128.43 1p1j s GLU 33 Ca 0.28 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1p1j s GLU 33 Cb -0.15 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1p1j s GLU 33 CO 0.11 0.65 0.00 -1.71 0.02 0.00 0.00 175.26 174.33 1p1j n ASN 34 N 2.02 0.00 -3.63 -0.19 5.15 -0.78 -5.00 115.26 112.83 1p1j n ASN 34 Ca -0.17 -0.65 -0.15 0.00 -0.60 0.00 0.00 54.58 53.00 1p1j n ASN 34 Cb 0.53 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.70 1p1j n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1p1j s ALA 35 N -1.19 -1.55 -0.14 5.20 0.00 -1.26 -0.12 121.76 122.71 1p1j s ALA 35 Ca 0.00 1.53 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 1p1j s ALA 35 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1p1j s ALA 35 CO 0.00 -0.31 0.13 0.08 0.00 0.00 0.00 175.76 175.65 1p1j s VAL 36 N -0.21 5.38 0.02 0.00 1.01 -0.47 -4.92 120.40 121.21 1p1j s VAL 36 Ca -0.04 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.17 1p1j s VAL 36 Cb -0.03 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1p1j s VAL 36 CO 0.04 0.58 -0.20 -0.69 0.00 0.00 0.00 175.10 174.83 1p1j s VAL 37 N -0.71 1.57 0.05 2.92 1.01 -1.26 -0.97 120.40 123.01 1p1j s VAL 37 Ca 0.13 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1p1j s VAL 37 Cb -0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1p1j s VAL 37 CO 0.03 0.29 -0.13 0.42 0.00 0.00 0.00 175.10 175.71 1p1j s THR 38 N -0.65 0.98 -0.18 3.92 -4.23 -0.73 -4.99 115.64 109.76 1p1j s THR 38 Ca 0.07 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1p1j s THR 38 Cb -0.08 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.84 1p1j s THR 38 CO 0.01 -0.14 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.03 1p1j s LYS 39 N -1.38 3.09 0.65 3.99 2.20 -1.26 -0.40 119.74 126.63 1p1j s LYS 39 Ca -0.02 -0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 54.67 1p1j s LYS 39 Cb -0.09 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 1p1j s LYS 39 CO 0.01 -0.17 1.07 0.99 -0.36 0.00 0.00 175.35 176.89 1p1j s THR 40 N 1.24 3.72 0.47 3.43 2.01 0.15 -4.90 115.64 121.76 1p1j s THR 40 Ca 0.03 0.72 0.15 0.00 0.31 0.00 0.00 61.69 62.90 1p1j s THR 40 Cb -0.14 -3.29 0.21 0.00 0.01 0.00 0.00 72.50 69.29 1p1j s THR 40 CO -0.09 -0.57 2.04 0.00 -0.69 0.00 0.00 174.62 175.31 1p1j h ALA 41 N -0.08 1.79 0.00 7.40 0.00 -2.00 0.58 119.26 126.95 1p1j h ALA 41 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1p1j h ALA 41 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1p1j h ALA 41 CO 0.56 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.84 1p1j n SER 42 N -4.39 0.00 0.00 0.00 3.41 -1.26 -4.84 113.62 106.54 1p1j n SER 42 Ca -0.03 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1p1j n SER 42 Cb 0.20 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1p1j n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p1j n GLY 43 N 0.22 0.72 3.76 5.00 0.00 0.19 -5.06 105.19 110.03 1p1j n GLY 43 Ca 0.11 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1p1j n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p1j s ARG 44 N -1.88 3.73 -0.32 1.61 3.52 -1.24 -4.87 118.95 119.51 1p1j s ARG 44 Ca 0.00 -0.23 -0.13 0.00 -0.13 0.00 0.00 55.73 55.24 1p1j s ARG 44 Cb 0.00 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1p1j s ARG 44 CO 0.00 0.52 0.27 -0.06 -0.81 0.00 0.00 175.30 175.23 1p1j s PHE 45 N -0.31 3.22 -0.35 5.12 0.40 -1.26 0.31 117.98 125.11 1p1j s PHE 45 Ca 0.10 -0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.24 1p1j s PHE 45 Cb -0.12 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 40.89 1p1j s PHE 45 CO 0.01 -0.32 0.43 -0.51 0.70 0.00 0.00 175.22 175.53 1p1j s ASP 46 N 1.73 6.23 -0.23 1.36 -0.00 0.47 -4.95 116.67 121.28 1p1j s ASP 46 Ca 0.09 -0.19 -0.05 0.00 -0.00 0.00 0.00 52.55 52.40 1p1j s ASP 46 Cb -0.17 -2.23 -0.02 0.00 -0.00 0.00 0.00 42.92 40.51 1p1j s ASP 46 CO 0.11 -0.41 0.01 -0.69 -0.00 0.00 0.00 175.17 174.18 1p1j s VAL 47 N 2.17 3.82 -0.36 -1.27 1.01 -1.26 -1.77 120.40 122.73 1p1j s VAL 47 Ca 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1p1j s VAL 47 Cb -0.16 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.54 1p1j s VAL 47 CO 0.12 0.39 0.11 -0.89 0.00 0.00 0.00 175.10 174.84 1p1j s THR 48 N 1.43 3.22 0.44 3.92 2.01 -0.14 -4.97 115.64 121.56 1p1j s THR 48 Ca 0.05 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 60.10 1p1j s THR 48 Cb -0.15 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 1p1j s THR 48 CO 0.00 -0.41 1.40 -2.65 -0.69 0.00 0.00 174.62 172.27 1p1j n PRO 49 N 4.63 2.19 -4.31 4.92 -0.02 -1.26 -1.37 135.00 139.77 1p1j n PRO 49 Ca -0.07 0.78 -0.21 0.00 -2.02 0.00 0.00 63.50 61.98 1p1j n PRO 49 Cb 0.42 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 1p1j n PRO 49 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p1j s THR 50 N -1.19 1.71 -0.06 3.45 -4.23 0.83 -4.88 115.64 111.28 1p1j s THR 50 Ca 0.61 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1p1j s THR 50 Cb -0.46 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.61 1p1j s THR 50 CO 0.58 -0.34 0.20 0.54 -0.54 0.00 0.00 174.62 175.06 1p1j s VAL 51 N -2.07 0.02 -0.15 2.29 0.11 -1.26 -1.86 120.40 117.48 1p1j s VAL 51 Ca 0.14 -0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 1p1j s VAL 51 Cb -0.05 -0.33 0.07 0.00 -1.53 0.00 0.00 36.38 34.54 1p1j s VAL 51 CO 0.06 -0.07 0.31 -1.58 -3.33 0.00 0.00 175.10 170.49 1p1j s GLN 52 N -0.20 0.21 0.21 1.54 2.00 -0.49 -5.00 119.66 117.95 1p1j s GLN 52 Ca -0.03 0.81 -0.13 0.00 -2.00 0.00 0.00 55.36 54.01 1p1j s GLN 52 Cb -0.03 0.06 -0.07 0.00 0.80 0.00 0.00 33.01 33.77 1p1j s GLN 52 CO 0.01 -0.26 0.59 -0.51 -0.50 0.00 0.00 175.29 174.62 1p1j s ASP 53 N 2.31 6.75 0.17 6.67 1.01 -1.26 -0.63 116.67 131.68 1p1j s ASP 53 Ca -0.01 1.06 -0.01 0.00 0.71 0.00 0.00 52.55 54.30 1p1j s ASP 53 Cb -0.12 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1p1j s ASP 53 CO -0.10 -0.02 0.09 -0.31 0.21 0.00 0.00 175.17 175.04 1p1j s TYR 54 N -1.69 1.03 -0.12 4.23 1.51 0.93 -0.36 117.35 122.89 1p1j s TYR 54 Ca 0.44 -1.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1p1j s TYR 54 Cb -0.13 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1p1j s TYR 54 CO 0.20 -0.56 -0.03 0.08 -1.11 0.00 0.00 175.55 174.13 1p1j s VAL 55 N -4.08 0.73 -0.03 0.71 1.01 -0.95 -1.15 120.40 116.63 1p1j s VAL 55 Ca 0.31 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1p1j s VAL 55 Cb 0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1p1j s VAL 55 CO 0.07 0.20 0.22 -0.36 0.00 0.00 0.00 175.10 175.23 1p1j s PHE 56 N 1.81 3.59 -0.11 5.22 0.08 0.12 -2.23 117.98 126.46 1p1j s PHE 56 Ca 0.03 0.54 0.03 0.00 0.12 0.00 0.00 56.93 57.65 1p1j s PHE 56 Cb -0.14 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1p1j s PHE 56 CO -0.07 0.66 -0.21 0.21 -0.10 0.00 0.00 175.22 175.71 1p1j s LYS 57 N -1.54 2.81 -0.16 0.44 2.20 0.34 -0.33 119.74 123.49 1p1j s LYS 57 Ca 0.23 -0.79 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1p1j s LYS 57 Cb -0.13 -2.22 0.02 0.00 -1.51 0.00 0.00 37.83 33.99 1p1j s LYS 57 CO 0.13 0.06 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.83 1p1j s LEU 58 N 0.65 1.95 -0.26 5.43 2.96 0.35 -0.99 118.68 128.76 1p1j s LEU 58 Ca -0.12 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 1p1j s LEU 58 Cb -0.16 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1p1j s LEU 58 CO 0.03 -0.01 1.41 -0.62 -1.32 0.00 0.00 176.35 175.83 1p1j s ASP 59 N 1.30 6.59 0.20 3.68 -1.08 -0.19 -1.27 116.67 125.90 1p1j s ASP 59 Ca 0.03 1.38 0.26 0.00 -0.52 0.00 0.00 52.55 53.70 1p1j s ASP 59 Cb -0.13 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.61 1p1j s ASP 59 CO -0.11 -1.12 1.77 0.18 0.52 0.00 0.00 175.17 176.41 1p1j n LEU 60 N 7.85 0.78 -4.50 -1.34 4.77 0.01 -4.63 117.00 119.94 1p1j n LEU 60 Ca 0.16 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 56.29 1p1j n LEU 60 Cb 0.46 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1p1j n LEU 60 CO 0.63 -0.17 1.03 -0.75 -1.33 0.00 0.00 177.39 176.80 1p1j s LYS 61 N -3.10 3.24 0.32 3.23 2.20 -1.25 -4.92 119.74 119.46 1p1j s LYS 61 Ca 0.11 -0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 54.90 1p1j s LYS 61 Cb 0.13 -4.40 -0.08 0.00 -1.51 0.00 0.00 37.83 31.97 1p1j s LYS 61 CO 0.60 -2.00 0.68 -1.59 -0.36 0.00 0.00 175.35 172.68 1p1j s LYS 62 N 4.74 3.86 0.36 4.03 -2.85 -1.26 -5.03 119.74 123.60 1p1j s LYS 62 Ca 0.31 0.46 -0.28 0.00 -1.00 0.00 0.00 55.97 55.46 1p1j s LYS 62 Cb -0.10 -2.49 -0.11 0.00 -2.06 0.00 0.00 37.83 33.07 1p1j s LYS 62 CO 0.08 0.15 1.45 -1.25 0.10 0.00 0.00 175.35 175.89 1p1j s PRO 63 N -3.21 4.17 0.36 1.78 0.04 -1.26 -4.89 135.00 131.97 1p1j s PRO 63 Ca 0.51 2.49 0.09 0.00 0.04 0.00 0.00 61.00 64.13 1p1j s PRO 63 Cb -0.10 -3.00 0.68 0.00 0.04 0.00 0.00 34.50 32.12 1p1j s PRO 63 CO 0.23 -0.46 1.84 0.93 0.04 0.00 0.00 177.00 179.57 1p1j h GLU 64 N 3.24 0.20 -4.09 4.56 5.08 -1.95 -3.42 114.58 118.20 1p1j h GLU 64 Ca -0.50 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 57.51 1p1j h GLU 64 Cb 1.23 -0.02 -0.28 0.00 0.50 0.00 0.00 28.75 30.19 1p1j h GLU 64 CO 0.66 0.45 -0.74 0.15 -1.00 0.00 0.00 179.01 178.52 1p1j s LYS 65 N -4.47 0.26 -0.16 2.33 -0.14 -1.26 -4.85 119.74 111.44 1p1j s LYS 65 Ca -0.05 -0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.44 1p1j s LYS 65 Cb 0.15 -0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.06 1p1j s LYS 65 CO 0.74 0.07 -0.16 -1.17 -0.76 0.00 0.00 175.35 174.06 1p1j s LEU 66 N -0.12 2.38 0.08 3.17 2.96 -0.55 -4.68 118.68 121.92 1p1j s LEU 66 Ca 0.01 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 1p1j s LEU 66 Cb -0.01 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 1p1j s LEU 66 CO -0.00 0.06 1.03 -0.83 -1.32 0.00 0.00 176.35 175.29 1p1j s GLY 67 N 0.94 2.84 -0.12 7.98 0.00 -0.10 -0.67 107.32 118.20 1p1j s GLY 67 Ca -0.03 0.65 0.01 0.00 0.00 0.00 0.00 44.72 45.36 1p1j s GLY 67 CO -0.03 1.67 -0.14 -0.42 0.00 0.00 0.00 173.10 174.18 1p1j s ILE 68 N 0.47 1.46 -0.24 0.90 -1.09 0.43 -1.11 121.20 122.02 1p1j s ILE 68 Ca 0.51 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1p1j s ILE 68 Cb -0.25 -1.36 0.05 0.00 -1.58 0.00 0.00 42.46 39.32 1p1j s ILE 68 CO 0.30 0.44 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.29 1p1j s MET 69 N 1.15 2.51 -0.21 2.79 -1.94 -0.49 -0.85 119.30 122.27 1p1j s MET 69 Ca -0.03 -1.17 -0.10 0.00 -1.71 0.00 0.00 55.69 52.68 1p1j s MET 69 Cb -0.14 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.81 1p1j s MET 69 CO -0.04 -0.46 0.14 -0.51 -0.01 0.00 0.00 175.02 174.13 1p1j s LEU 70 N 1.18 4.16 -0.31 -0.03 1.43 -0.33 -1.76 118.68 123.02 1p1j s LEU 70 Ca -0.04 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 1p1j s LEU 70 Cb -0.18 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 1p1j s LEU 70 CO -0.07 0.14 0.68 -0.63 0.23 0.00 0.00 176.35 176.71 1p1j s ILE 71 N 0.58 4.89 0.00 -0.59 1.01 -0.49 -1.07 121.20 125.53 1p1j s ILE 71 Ca 0.08 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1p1j s ILE 71 Cb -0.12 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1p1j s ILE 71 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.36 1p1j n GLY 72 N 4.38 1.69 0.38 6.18 0.00 0.13 -0.33 105.19 117.62 1p1j n GLY 72 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1p1j n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p1j h LEU 73 N 0.00 0.50 -0.91 0.99 5.85 -1.30 -1.84 115.31 118.60 1p1j h LEU 73 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1p1j h LEU 73 Cb 0.03 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1p1j h LEU 73 CO 0.00 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 178.97 1p1j n GLY 74 N -1.49 0.15 1.50 3.75 0.00 -1.26 -2.35 105.19 105.49 1p1j n GLY 74 Ca 0.15 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1p1j n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p1j n GLY 75 N 0.92 -0.67 0.23 -0.02 0.00 -0.69 -4.73 105.19 100.23 1p1j n GLY 75 Ca 0.09 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1p1j n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p1j h ASN 76 N -0.54 -0.50 -0.24 1.61 -0.26 -1.90 -1.07 115.58 112.68 1p1j h ASN 76 Ca -0.16 0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.57 1p1j h ASN 76 Cb 0.46 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.88 1p1j h ASN 76 CO 0.12 -0.30 -0.05 0.78 -1.06 0.00 0.00 177.43 176.93 1p1j h ASN 77 N -0.46 0.46 -0.38 5.81 -0.26 -1.90 -1.78 115.58 117.07 1p1j h ASN 77 Ca -0.02 -0.36 0.01 0.00 -0.56 0.00 0.00 56.30 55.38 1p1j h ASN 77 Cb 0.40 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 1p1j h ASN 77 CO -0.00 0.71 0.23 1.23 -1.06 0.00 0.00 177.43 178.53 1p1j h GLY 78 N 0.21 0.53 1.44 2.83 0.00 -1.71 0.11 103.07 106.49 1p1j h GLY 78 Ca 0.06 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1p1j h GLY 78 CO 0.02 0.15 -0.36 1.48 0.00 0.00 0.00 176.54 177.83 1p1j h SER 79 N 0.46 0.65 -0.04 0.19 4.64 -0.80 -2.47 113.55 116.19 1p1j h SER 79 Ca 0.15 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1p1j h SER 79 Cb -0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1p1j h SER 79 CO -0.06 0.95 -0.32 0.74 -0.87 0.00 0.00 176.83 177.27 1p1j h THR 80 N 0.52 1.28 -0.11 2.95 2.02 -0.99 -1.27 112.91 117.31 1p1j h THR 80 Ca 0.05 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 1p1j h THR 80 Cb 0.87 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1p1j h THR 80 CO 0.07 0.44 0.05 0.25 0.37 0.00 0.00 175.52 176.71 1p1j h LEU 81 N 0.44 0.14 -0.72 2.58 7.12 -0.55 0.37 115.31 124.69 1p1j h LEU 81 Ca 0.05 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 57.92 1p1j h LEU 81 Cb 0.77 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.83 1p1j h LEU 81 CO 0.06 0.23 0.38 0.58 -0.13 0.00 0.00 178.44 179.56 1p1j h VAL 82 N 0.04 1.23 -0.68 1.05 2.07 -1.30 -2.04 116.25 116.62 1p1j h VAL 82 Ca 0.04 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1p1j h VAL 82 Cb 0.13 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1p1j h VAL 82 CO -0.00 0.26 0.37 0.00 0.02 0.00 0.00 177.57 178.21 1p1j h ALA 83 N 1.19 0.87 -0.61 1.67 0.00 -0.95 -1.56 119.26 119.86 1p1j h ALA 83 Ca 0.25 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1p1j h ALA 83 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1p1j h ALA 83 CO -0.04 0.38 0.11 0.66 0.00 0.00 0.00 179.25 180.37 1p1j h SER 84 N 0.93 0.93 -0.05 0.00 4.64 -0.58 0.10 113.55 119.53 1p1j h SER 84 Ca 0.24 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1p1j h SER 84 Cb 0.04 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1p1j h SER 84 CO -0.04 0.92 0.01 0.58 -0.87 0.00 0.00 176.83 177.43 1p1j h VAL 85 N 0.93 1.22 -0.50 0.95 2.07 -1.06 -1.70 116.25 118.16 1p1j h VAL 85 Ca 0.19 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1p1j h VAL 85 Cb 0.38 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1p1j h VAL 85 CO 0.01 0.18 0.21 -0.07 0.02 0.00 0.00 177.57 177.92 1p1j h LEU 86 N -0.18 0.68 -0.33 2.57 3.38 -1.13 0.27 115.31 120.56 1p1j h LEU 86 Ca 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1p1j h LEU 86 Cb 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1p1j h LEU 86 CO 0.00 0.65 0.19 0.00 0.09 0.00 0.00 178.44 179.37 1p1j h ALA 87 N 1.06 0.43 -0.13 1.53 0.00 -0.77 -1.77 119.26 119.61 1p1j h ALA 87 Ca 0.17 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1p1j h ALA 87 Cb 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1p1j h ALA 87 CO -0.02 -0.05 -0.50 -0.91 0.00 0.00 0.00 179.25 177.78 1p1j h ASN 88 N 0.42 0.66 -0.83 0.00 4.21 -1.23 0.66 115.58 119.47 1p1j h ASN 88 Ca 0.12 -0.62 0.02 0.00 1.21 0.00 0.00 56.30 57.03 1p1j h ASN 88 Cb 0.05 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.01 1p1j h ASN 88 CO -0.02 1.17 0.54 0.50 -1.29 0.00 0.00 177.43 178.33 1p1j h LYS 89 N 0.19 1.04 -0.55 0.81 3.64 -0.92 -2.79 116.57 117.99 1p1j h LYS 89 Ca -0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1p1j h LYS 89 Cb 1.13 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1p1j h LYS 89 CO 0.10 0.69 0.00 0.72 -2.27 0.00 0.00 179.45 178.69 1p1j n HIS 90 N -4.54 1.44 -4.01 1.91 8.25 -0.67 -4.98 115.22 112.62 1p1j n HIS 90 Ca 0.10 -0.67 -0.33 0.00 -0.26 0.00 0.00 57.72 56.56 1p1j n HIS 90 Cb 0.06 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 1p1j n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1p1j n ASN 91 N 0.73 -1.99 -4.54 0.41 3.02 -0.66 -4.85 115.26 107.37 1p1j n ASN 91 Ca 0.24 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 1p1j n ASN 91 Cb 0.92 -2.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.60 1p1j n ASN 91 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1p1j s VAL 92 N -3.85 4.10 0.65 2.41 1.01 0.14 -4.95 120.40 119.90 1p1j s VAL 92 Ca 0.22 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1p1j s VAL 92 Cb -0.10 -5.01 -0.01 0.00 0.00 0.00 0.00 36.38 31.26 1p1j s VAL 92 CO 0.93 -1.86 1.11 -1.83 0.00 0.00 0.00 175.10 173.45 1p1j s GLU 93 N 4.47 2.85 0.06 2.72 -1.05 -1.26 -4.40 118.70 122.09 1p1j s GLU 93 Ca 0.44 1.40 -0.04 0.00 -0.15 0.00 0.00 54.97 56.62 1p1j s GLU 93 Cb -0.01 -1.96 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 1p1j s GLU 93 CO -0.09 -1.21 0.06 -0.59 0.95 0.00 0.00 175.26 174.38 1p1j s PHE 94 N -2.30 0.35 0.14 4.83 -0.71 -0.63 -4.96 117.98 114.69 1p1j s PHE 94 Ca 0.67 -0.81 -0.17 0.00 -1.04 0.00 0.00 56.93 55.59 1p1j s PHE 94 Cb -0.21 -0.24 -0.07 0.00 -1.21 0.00 0.00 43.02 41.29 1p1j s PHE 94 CO 0.40 -0.42 0.59 -0.65 -1.34 0.00 0.00 175.22 173.80 1p1j s GLN 95 N -3.61 4.09 0.24 1.99 -1.52 -1.26 -0.66 119.66 118.92 1p1j s GLN 95 Ca 0.04 0.62 -0.07 0.00 -1.95 0.00 0.00 55.36 54.00 1p1j s GLN 95 Cb 0.05 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.83 1p1j s GLN 95 CO -0.09 0.50 0.33 0.95 -0.25 0.00 0.00 175.29 176.73 1p1j s THR 96 N -1.39 0.00 -0.94 -0.19 -4.23 -0.92 -4.49 115.64 103.47 1p1j s THR 96 Ca 0.37 -1.68 0.15 0.00 -1.18 0.00 0.00 61.69 59.35 1p1j s THR 96 Cb -0.16 -2.36 0.13 0.00 1.34 0.00 0.00 72.50 71.45 1p1j s THR 96 CO 0.19 0.00 1.49 2.29 -0.54 0.00 0.00 174.62 178.05 1p1j n LYS 97 N -0.35 0.02 -0.43 3.99 2.85 -1.26 -1.26 118.16 121.72 1p1j n LYS 97 Ca 0.00 0.27 0.11 0.00 -1.05 0.00 0.00 58.31 57.65 1p1j n LYS 97 Cb 0.64 -1.54 0.33 0.00 -0.65 0.00 0.00 35.03 33.81 1p1j n LYS 97 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1p1j n GLU 98 N -1.58 2.96 0.00 -1.58 4.71 -1.26 -5.06 120.64 118.82 1p1j n GLU 98 Ca 0.03 -2.72 0.00 0.00 -0.01 0.00 0.00 57.16 54.46 1p1j n GLU 98 Cb 0.18 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1p1j n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p1j n GLY 99 N 1.54 -2.32 3.70 0.62 0.00 -0.39 -4.96 105.19 103.39 1p1j n GLY 99 Ca 0.25 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1p1j n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p1j s VAL 100 N -0.46 3.89 0.02 1.61 1.01 -1.26 -2.17 120.40 123.04 1p1j s VAL 100 Ca 0.00 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.34 1p1j s VAL 100 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1p1j s VAL 100 CO 0.00 0.05 -0.11 -0.54 0.00 0.00 0.00 175.10 174.50 1p1j s LYS 101 N 1.69 2.37 -0.12 2.72 -0.14 0.17 -4.94 119.74 121.48 1p1j s LYS 101 Ca 0.60 -0.82 -0.10 0.00 -1.36 0.00 0.00 55.97 54.29 1p1j s LYS 101 Cb -0.30 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.43 1p1j s LYS 101 CO 0.27 0.58 0.21 -0.65 -0.76 0.00 0.00 175.35 175.00 1p1j s GLN 102 N -1.40 3.81 0.63 1.68 -1.52 -1.26 -1.61 119.66 119.99 1p1j s GLN 102 Ca 0.16 -0.02 -0.18 0.00 -1.95 0.00 0.00 55.36 53.37 1p1j s GLN 102 Cb -0.11 -3.28 -0.02 0.00 -0.22 0.00 0.00 33.01 29.38 1p1j s GLN 102 CO 0.06 0.58 1.22 -2.14 -0.25 0.00 0.00 175.29 174.76 1p1j s PRO 103 N -0.51 2.75 0.38 2.91 0.02 -1.26 -5.02 135.00 134.26 1p1j s PRO 103 Ca 0.15 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 1p1j s PRO 103 Cb -0.13 -1.90 0.03 0.00 0.02 0.00 0.00 34.50 32.53 1p1j s PRO 103 CO 0.04 -1.38 0.66 0.54 -0.33 0.00 0.00 177.00 176.53 1p1j s ASN 104 N -1.68 0.49 -0.31 2.53 6.03 -1.26 -4.92 114.94 115.82 1p1j s ASN 104 Ca 0.77 -1.35 0.08 0.00 -1.03 0.00 0.00 52.86 51.33 1p1j s ASN 104 Cb -0.31 0.78 0.48 0.00 -3.03 0.00 0.00 41.25 39.17 1p1j s ASN 104 CO 0.37 -1.55 1.41 -1.22 -2.03 0.00 0.00 177.10 174.08 1p1j n TYR 105 N -0.56 1.44 -1.58 1.54 4.01 -1.26 -4.95 117.16 115.79 1p1j n TYR 105 Ca -0.04 -1.84 -0.41 0.00 -0.16 0.00 0.00 57.90 55.44 1p1j n TYR 105 Cb 0.61 -0.50 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1p1j n TYR 105 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1p1j n PHE 106 N -1.02 0.88 0.00 -0.72 0.99 -1.26 -1.53 117.46 114.79 1p1j n PHE 106 Ca 0.36 0.57 0.00 0.00 -0.00 0.00 0.00 57.45 58.38 1p1j n PHE 106 Cb 0.94 -2.18 0.00 0.00 -1.00 0.00 0.00 39.48 37.23 1p1j n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1p1j n GLY 107 N 1.30 0.74 3.63 1.37 0.00 -1.26 -4.84 105.19 106.13 1p1j n GLY 107 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1p1j n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p1j s SER 108 N -2.20 6.27 0.15 1.61 0.15 -0.58 -4.48 113.70 114.61 1p1j s SER 108 Ca 0.00 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 1p1j s SER 108 Cb 0.00 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 1p1j s SER 108 CO 0.00 -0.10 1.41 -0.03 1.20 0.00 0.00 173.24 175.72 1p1j h MET 109 N 7.83 0.64 -0.02 5.44 4.05 -1.89 0.03 114.93 131.01 1p1j h MET 109 Ca -0.34 -0.47 -0.13 0.00 -0.28 0.00 0.00 59.70 58.47 1p1j h MET 109 Cb 1.17 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.03 1p1j h MET 109 CO 0.66 1.09 -0.62 1.79 0.23 0.00 0.00 176.91 180.07 1p1j h THR 110 N 0.46 1.43 0.00 -0.77 1.35 -1.92 -2.76 112.91 110.70 1p1j h THR 110 Ca -0.02 -2.09 -0.18 0.00 -0.55 0.00 0.00 66.41 63.57 1p1j h THR 110 Cb 1.26 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 69.76 1p1j h THR 110 CO 0.13 0.60 -1.89 0.00 -0.25 0.00 0.00 175.52 174.11 1p1j n GLN 111 N -3.82 0.65 -0.04 4.72 1.13 -1.21 -3.43 117.38 115.38 1p1j n GLN 111 Ca -0.02 0.02 0.02 0.00 -1.94 0.00 0.00 57.00 55.08 1p1j n GLN 111 Cb 0.62 -1.63 0.02 0.00 0.11 0.00 0.00 30.24 29.36 1p1j n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1p1j s SER 113 N -1.06 4.69 0.28 0.00 1.04 -1.04 -4.97 113.70 112.63 1p1j s SER 113 Ca 0.05 -0.70 0.07 0.00 0.48 0.00 0.00 55.95 55.85 1p1j s SER 113 Cb 0.04 -0.80 -0.06 0.00 0.10 0.00 0.00 66.02 65.30 1p1j s SER 113 CO 0.00 -0.19 -0.08 0.42 0.98 0.00 0.00 173.24 174.37 1p1j s THR 114 N -2.38 1.74 0.01 2.02 -4.23 -1.26 -1.27 115.64 110.27 1p1j s THR 114 Ca 0.35 -2.16 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1p1j s THR 114 Cb -0.04 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 1p1j s THR 114 CO 0.22 -0.33 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.09 1p1j s LEU 115 N -3.44 2.09 -0.05 4.79 1.43 0.11 -4.76 118.68 118.85 1p1j s LEU 115 Ca 0.29 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 1p1j s LEU 115 Cb 0.03 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 1p1j s LEU 115 CO 0.12 0.07 1.14 -0.75 0.23 0.00 0.00 176.35 177.16 1p1j s LYS 116 N -0.66 4.39 -0.01 1.70 2.20 -1.26 -0.82 119.74 125.29 1p1j s LYS 116 Ca 0.02 1.61 0.19 0.00 -0.36 0.00 0.00 55.97 57.43 1p1j s LYS 116 Cb -0.06 -3.52 -0.21 0.00 -1.51 0.00 0.00 37.83 32.54 1p1j s LYS 116 CO 0.00 -0.37 0.58 1.28 -0.36 0.00 0.00 175.35 176.49 1p1j n LEU 117 N 4.89 0.40 0.00 5.43 4.77 -0.10 -4.96 117.00 127.44 1p1j n LEU 117 Ca 0.10 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1p1j n LEU 117 Cb 0.47 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1p1j n LEU 117 CO 0.54 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1p1j n GLY 118 N 1.40 -0.54 3.53 -0.72 0.00 -1.24 -5.04 105.19 102.59 1p1j n GLY 118 Ca -0.12 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 1p1j n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p1j s ILE 119 N -3.62 2.41 0.08 -0.61 -4.36 -1.26 -0.94 121.20 112.90 1p1j s ILE 119 Ca 0.00 -2.24 -0.00 0.00 -0.26 0.00 0.00 60.65 58.15 1p1j s ILE 119 Cb 0.00 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.17 1p1j s ILE 119 CO 0.00 -0.27 0.11 -0.90 0.24 0.00 0.00 174.94 174.12 1p1j n ASP 120 N -0.76 0.15 0.31 4.36 5.68 0.44 -4.86 116.55 121.87 1p1j n ASP 120 Ca -0.05 -1.13 0.18 0.00 -0.50 0.00 0.00 54.79 53.30 1p1j n ASP 120 Cb 0.62 -0.07 0.98 0.00 -1.14 0.00 0.00 41.12 41.51 1p1j n ASP 120 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p1j h ALA 121 N -0.50 1.20 -0.01 2.12 0.00 -2.02 -1.55 119.26 118.51 1p1j h ALA 121 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1p1j h ALA 121 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p1j h ALA 121 CO 0.04 0.03 -0.23 0.39 0.00 0.00 0.00 179.25 179.48 1p1j n GLU 122 N -3.41 1.17 -0.51 0.00 -0.58 -1.26 -4.94 120.64 111.11 1p1j n GLU 122 Ca -0.02 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 1p1j n GLU 122 Cb 0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1p1j n GLU 122 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p1j n GLY 123 N 1.32 0.73 3.80 0.62 0.00 -0.58 -5.07 105.19 106.01 1p1j n GLY 123 Ca 0.13 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1p1j n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1j s ASN 124 N -2.13 5.72 0.31 1.61 0.01 -1.26 -4.76 114.94 114.43 1p1j s ASN 124 Ca 0.00 0.12 -0.28 0.00 -0.71 0.00 0.00 52.86 51.99 1p1j s ASN 124 Cb 0.00 -1.63 -0.13 0.00 0.41 0.00 0.00 41.25 39.89 1p1j s ASN 124 CO 0.00 0.24 1.10 0.47 -1.51 0.00 0.00 177.10 177.40 1p1j n ASP 125 N 0.90 1.79 -4.03 -1.22 10.43 -1.26 -0.42 116.55 122.74 1p1j n ASP 125 Ca -0.11 1.19 -0.30 0.00 2.57 0.00 0.00 54.79 58.14 1p1j n ASP 125 Cb 0.52 -1.35 -0.17 0.00 1.84 0.00 0.00 41.12 41.96 1p1j n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1p1j s VAL 126 N -1.06 1.56 0.09 2.53 1.01 -0.11 -4.79 120.40 119.62 1p1j s VAL 126 Ca 0.58 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1p1j s VAL 126 Cb -0.66 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1p1j s VAL 126 CO 0.61 0.46 -0.01 -0.31 0.00 0.00 0.00 175.10 175.85 1p1j s TYR 127 N 1.33 2.98 0.09 5.22 1.51 -1.26 -0.92 117.35 126.29 1p1j s TYR 127 Ca 0.01 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1p1j s TYR 127 Cb -0.13 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1p1j s TYR 127 CO -0.08 0.48 -0.09 0.00 -1.11 0.00 0.00 175.55 174.75 1p1j s ALA 128 N -1.31 0.98 0.38 3.71 0.00 0.00 -4.91 121.76 120.62 1p1j s ALA 128 Ca 0.26 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 1p1j s ALA 128 Cb -0.12 0.06 -0.11 0.00 0.00 0.00 0.00 23.12 22.95 1p1j s ALA 128 CO 0.18 -0.08 1.38 -2.30 0.00 0.00 0.00 175.76 174.95 1p1j n PRO 129 N 0.60 2.33 -0.35 0.00 -0.02 -1.26 0.08 135.00 136.39 1p1j n PRO 129 Ca -0.16 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 1p1j n PRO 129 Cb 0.58 -2.51 0.31 0.00 -0.02 0.00 0.00 33.50 31.86 1p1j n PRO 129 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1p1j h PHE 130 N 2.61 1.08 -0.35 6.00 3.57 -1.43 -0.93 116.94 127.49 1p1j h PHE 130 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1p1j h PHE 130 Cb 1.27 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1p1j h PHE 130 CO 0.51 0.26 0.00 0.27 -2.23 0.00 0.00 178.31 177.12 1p1j n ASN 131 N -4.74 3.70 -0.00 0.41 6.94 -1.22 -4.07 115.26 116.28 1p1j n ASN 131 Ca 0.23 -2.51 0.07 0.00 -0.02 0.00 0.00 54.58 52.34 1p1j n ASN 131 Cb 0.55 -0.59 -0.08 0.00 -2.36 0.00 0.00 39.78 37.30 1p1j n ASN 131 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1p1j n SER 132 N 0.40 0.86 -0.09 0.53 3.41 -0.35 -4.56 113.62 113.81 1p1j n SER 132 Ca 0.16 -0.67 -0.13 0.00 -0.26 0.00 0.00 58.87 57.98 1p1j n SER 132 Cb 0.78 1.12 -0.04 0.00 -0.26 0.00 0.00 64.21 65.81 1p1j n SER 132 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p1j h LEU 133 N 0.00 0.65 -8.11 1.04 4.07 -1.71 -3.28 115.31 107.98 1p1j h LEU 133 Ca 0.00 -0.45 -0.16 0.00 0.08 0.00 0.00 57.88 57.36 1p1j h LEU 133 Cb 0.39 -0.18 -0.18 0.00 1.08 0.00 0.00 40.66 41.76 1p1j h LEU 133 CO 0.00 0.96 -0.69 -0.76 -1.08 0.00 0.00 178.44 176.87 1p1j s LEU 134 N -9.08 2.35 0.07 1.67 1.43 -1.26 -4.67 118.68 109.20 1p1j s LEU 134 Ca -0.13 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 1p1j s LEU 134 Cb 0.08 0.13 -0.10 0.00 0.03 0.00 0.00 46.19 46.33 1p1j s LEU 134 CO 0.81 -0.43 1.93 -0.81 0.23 0.00 0.00 176.35 178.08 1p1j n PRO 135 N 0.92 2.86 -4.22 1.29 -0.04 -1.26 -4.91 135.00 129.64 1p1j n PRO 135 Ca -0.19 1.05 -0.19 0.00 -0.04 0.00 0.00 63.50 64.12 1p1j n PRO 135 Cb 0.58 -2.98 -0.12 0.00 -0.04 0.00 0.00 33.50 30.94 1p1j n PRO 135 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1p1j s MET 136 N 3.79 0.96 0.38 0.54 -1.94 -1.26 -4.97 119.30 116.80 1p1j s MET 136 Ca 0.86 -1.11 -0.25 0.00 -1.71 0.00 0.00 55.69 53.48 1p1j s MET 136 Cb -0.45 -0.96 -0.09 0.00 2.01 0.00 0.00 34.83 35.34 1p1j s MET 136 CO 0.40 0.20 1.09 0.08 -0.01 0.00 0.00 175.02 176.79 1p1j s VAL 137 N -1.62 3.52 0.09 -6.03 1.01 -1.26 -5.03 120.40 111.08 1p1j s VAL 137 Ca 0.04 1.26 -0.13 0.00 0.00 0.00 0.00 61.98 63.15 1p1j s VAL 137 Cb -0.08 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1p1j s VAL 137 CO 0.03 0.10 0.47 -0.55 0.00 0.00 0.00 175.10 175.15 1p1j s SER 138 N -1.31 6.78 0.62 3.32 0.15 -1.26 -4.87 113.70 117.13 1p1j s SER 138 Ca 0.55 0.97 0.38 0.00 0.70 0.00 0.00 55.95 58.56 1p1j s SER 138 Cb -0.26 -2.25 2.08 0.00 -1.71 0.00 0.00 66.02 63.88 1p1j s SER 138 CO 0.33 0.19 2.28 1.55 1.20 0.00 0.00 173.24 178.78 1p1j h PRO 139 N 3.93 0.00 0.00 5.44 0.13 -1.95 0.78 132.00 140.33 1p1j h PRO 139 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1p1j h PRO 139 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p1j h PRO 139 CO 0.65 0.01 0.00 -0.91 -0.23 0.00 0.00 178.00 177.52 1p1j h ASN 140 N 0.00 0.00 -0.55 1.44 2.35 -1.93 -1.67 115.58 115.22 1p1j h ASN 140 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1p1j h ASN 140 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1p1j h ASN 140 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 1p1j n ASP 141 N -2.76 4.73 -4.73 5.81 10.43 0.27 -4.88 116.55 125.42 1p1j n ASP 141 Ca -0.01 -2.61 -0.41 0.00 2.57 0.00 0.00 54.79 54.33 1p1j n ASP 141 Cb 0.15 -0.57 -0.04 0.00 1.84 0.00 0.00 41.12 42.50 1p1j n ASP 141 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1p1j s PHE 142 N -2.14 3.78 -0.32 1.24 2.99 -0.63 -1.48 117.98 121.42 1p1j s PHE 142 Ca 0.49 1.77 -0.04 0.00 0.00 0.00 0.00 56.93 59.14 1p1j s PHE 142 Cb 0.34 -3.09 0.04 0.00 0.00 0.00 0.00 43.02 40.31 1p1j s PHE 142 CO 0.20 0.09 0.06 0.08 -0.00 0.00 0.00 175.22 175.64 1p1j s VAL 143 N -0.00 3.44 -0.12 -0.44 1.01 0.16 -4.90 120.40 119.55 1p1j s VAL 143 Ca 0.47 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1p1j s VAL 143 Cb -0.24 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1p1j s VAL 143 CO 0.30 -0.14 0.00 -0.69 0.00 0.00 0.00 175.10 174.57 1p1j s VAL 144 N 1.34 4.28 0.00 2.92 1.01 -1.26 -0.43 120.40 128.26 1p1j s VAL 144 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1p1j s VAL 144 Cb -0.20 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1p1j s VAL 144 CO 0.01 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.42 1p1j n SER 145 N 2.73 0.00 0.00 3.32 2.88 -0.03 -4.98 113.62 117.54 1p1j n SER 145 Ca -0.18 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1p1j n SER 145 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1p1j n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p1j n GLY 146 N 0.00 -0.15 3.40 0.46 0.00 -1.26 -1.19 105.19 106.45 1p1j n GLY 146 Ca 0.00 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 1p1j n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p1j s TRP 147 N -2.36 2.12 -0.28 1.61 0.51 -0.23 -0.94 118.94 119.38 1p1j s TRP 147 Ca 0.00 -0.40 -0.21 0.00 -2.12 0.00 0.00 56.10 53.37 1p1j s TRP 147 Cb 0.00 -1.02 0.08 0.00 -0.81 0.00 0.00 33.47 31.73 1p1j s TRP 147 CO 0.00 0.49 0.76 0.34 -0.51 0.00 0.00 176.95 178.02 1p1j s ASP 148 N -2.89 -0.78 0.00 2.95 2.15 -0.58 0.22 116.67 117.75 1p1j s ASP 148 Ca 0.21 1.38 0.12 0.00 0.43 0.00 0.00 52.55 54.70 1p1j s ASP 148 Cb -0.06 1.37 0.59 0.00 -0.30 0.00 0.00 42.92 44.51 1p1j s ASP 148 CO 0.10 -0.23 1.34 2.30 -0.17 0.00 0.00 175.17 178.51 1p1j n ILE 149 N 3.32 0.86 -4.84 4.11 -5.35 -1.26 -3.91 119.36 112.29 1p1j n ILE 149 Ca -0.16 0.21 -0.33 0.00 -0.27 0.00 0.00 62.75 62.20 1p1j n ILE 149 Cb 0.57 -1.01 -0.14 0.00 -1.74 0.00 0.00 39.64 37.32 1p1j n ILE 149 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1p1j s ASN 150 N -2.73 4.02 0.00 7.28 2.47 -1.26 -0.41 114.94 124.31 1p1j s ASN 150 Ca 0.10 -0.26 0.20 0.00 0.42 0.00 0.00 52.86 53.32 1p1j s ASN 150 Cb 0.08 -1.20 0.86 0.00 -1.45 0.00 0.00 41.25 39.53 1p1j s ASN 150 CO 0.20 0.26 1.59 -0.46 -3.72 0.00 0.00 177.10 174.98 1p1j n ASN 151 N 2.87 1.13 -4.70 -4.21 0.23 -1.26 -4.81 115.26 104.51 1p1j n ASN 151 Ca -0.18 -1.62 -0.43 0.00 -0.53 0.00 0.00 54.58 51.82 1p1j n ASN 151 Cb 0.52 -0.07 -0.01 0.00 -2.08 0.00 0.00 39.78 38.14 1p1j n ASN 151 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p1j n ALA 152 N -0.03 1.53 -1.25 -2.53 0.00 -1.26 -4.71 120.51 112.26 1p1j n ALA 152 Ca 0.15 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.68 1p1j n ALA 152 Cb 0.24 -2.31 0.17 0.00 0.00 0.00 0.00 19.45 17.56 1p1j n ALA 152 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1p1j s ASP 153 N 0.03 2.65 0.39 0.00 3.84 -1.26 -4.48 116.67 117.84 1p1j s ASP 153 Ca 0.61 1.07 0.28 0.00 -0.00 0.00 0.00 52.55 54.51 1p1j s ASP 153 Cb -0.57 -1.69 1.18 0.00 -1.38 0.00 0.00 42.92 40.45 1p1j s ASP 153 CO 0.56 -3.10 1.84 -0.07 -0.00 0.00 0.00 175.17 174.40 1p1j h LEU 154 N -1.87 0.00 -0.02 2.11 4.07 -0.84 -0.48 115.31 118.27 1p1j h LEU 154 Ca -0.53 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.33 1p1j h LEU 154 Cb 1.33 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.08 1p1j h LEU 154 CO 0.57 0.00 -0.36 0.22 -1.08 0.00 0.00 178.44 177.79 1p1j h TYR 155 N 0.00 0.41 -0.33 1.13 3.20 -1.81 -1.58 116.97 117.99 1p1j h TYR 155 Ca 0.00 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 1p1j h TYR 155 Cb 0.41 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1p1j h TYR 155 CO 0.00 0.99 0.13 0.93 -1.64 0.00 0.00 178.16 178.57 1p1j h GLU 156 N -0.29 0.46 -0.47 1.82 5.08 -1.80 -1.35 114.58 118.03 1p1j h GLU 156 Ca -0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1p1j h GLU 156 Cb 1.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1p1j h GLU 156 CO 0.07 0.38 0.09 0.00 -1.00 0.00 0.00 179.01 178.56 1p1j h ALA 157 N 1.69 0.62 -0.54 3.43 0.00 -0.99 -1.11 119.26 122.36 1p1j h ALA 157 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1p1j h ALA 157 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1p1j h ALA 157 CO -0.01 0.34 0.25 0.52 0.00 0.00 0.00 179.25 180.34 1p1j h MET 158 N 0.64 0.79 -0.53 0.00 2.86 -0.49 0.23 114.93 118.44 1p1j h MET 158 Ca 0.14 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1p1j h MET 158 Cb 0.36 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1p1j h MET 158 CO 0.01 0.66 0.30 1.96 1.06 0.00 0.00 176.91 180.90 1p1j h GLN 159 N 0.73 0.58 -0.52 1.72 4.20 -1.06 -2.10 115.11 118.66 1p1j h GLN 159 Ca 0.19 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1p1j h GLN 159 Cb 0.14 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1p1j h GLN 159 CO -0.02 0.38 0.19 -0.09 -0.67 0.00 0.00 178.83 178.63 1p1j h ARG 160 N 0.60 0.79 -0.04 1.46 2.43 -0.91 -3.18 114.38 115.53 1p1j h ARG 160 Ca 0.22 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 1p1j h ARG 160 Cb 0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1p1j h ARG 160 CO -0.11 0.70 -0.48 0.77 -1.51 0.00 0.00 179.97 179.34 1p1j h SER 161 N 0.70 0.09 -6.16 -3.80 0.02 -0.64 -3.47 113.55 100.29 1p1j h SER 161 Ca 0.17 -0.04 -0.45 0.00 -0.84 0.00 0.00 61.79 60.63 1p1j h SER 161 Cb 0.22 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.75 1p1j h SER 161 CO -0.01 0.56 -0.74 0.00 -1.14 0.00 0.00 176.83 175.49 1p1j n GLN 162 N -3.97 -6.12 -0.13 3.45 6.02 -0.82 -4.68 117.38 111.13 1p1j n GLN 162 Ca -0.02 0.66 -0.26 0.00 -0.01 0.00 0.00 57.00 57.37 1p1j n GLN 162 Cb 0.51 -5.57 -0.11 0.00 1.02 0.00 0.00 30.24 26.09 1p1j n GLN 162 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1p1j n VAL 163 N -4.73 1.54 -3.36 5.09 0.31 -1.26 -4.76 118.33 111.16 1p1j n VAL 163 Ca 0.00 -0.37 -0.31 0.00 -0.01 0.00 0.00 64.34 63.65 1p1j n VAL 163 Cb 0.55 -1.83 -0.05 0.00 -0.91 0.00 0.00 33.84 31.60 1p1j n VAL 163 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1p1j s LEU 164 N -7.39 4.13 0.23 7.52 1.43 -1.26 -5.03 118.68 118.30 1p1j s LEU 164 Ca -0.36 0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1p1j s LEU 164 Cb 0.12 -3.70 -0.15 0.00 0.03 0.00 0.00 46.19 42.49 1p1j s LEU 164 CO 0.54 -0.12 1.09 -0.62 0.23 0.00 0.00 176.35 177.47 1p1j n GLU 165 N -0.33 1.27 -0.13 1.70 -0.58 -1.26 -4.76 120.64 116.54 1p1j n GLU 165 Ca 0.00 0.45 -0.04 0.00 -0.42 0.00 0.00 57.16 57.16 1p1j n GLU 165 Cb 0.53 -1.88 0.03 0.00 -0.57 0.00 0.00 31.44 29.54 1p1j n GLU 165 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1p1j h TYR 166 N 2.70 -0.16 -0.51 -0.32 3.20 -1.96 -1.59 116.97 118.33 1p1j h TYR 166 Ca -0.41 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 1p1j h TYR 166 Cb 1.34 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.72 1p1j h TYR 166 CO 0.51 -0.16 0.27 0.22 -1.64 0.00 0.00 178.16 177.36 1p1j h ASP 167 N 0.04 0.63 -0.38 -2.11 1.82 -1.90 -1.50 116.42 113.02 1p1j h ASP 167 Ca 0.21 -0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.75 1p1j h ASP 167 Cb 0.32 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 1p1j h ASP 167 CO -0.42 0.52 0.01 0.25 -1.61 0.00 0.00 179.24 177.99 1p1j h LEU 168 N 0.71 0.64 -0.96 2.28 5.85 -1.59 -1.42 115.31 120.82 1p1j h LEU 168 Ca 0.18 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1p1j h LEU 168 Cb 0.04 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1p1j h LEU 168 CO -0.03 0.79 0.62 1.56 -0.34 0.00 0.00 178.44 181.05 1p1j h GLN 169 N 0.48 1.14 -0.37 1.25 4.20 -0.68 -1.32 115.11 119.81 1p1j h GLN 169 Ca 0.11 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1p1j h GLN 169 Cb 0.46 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1p1j h GLN 169 CO 0.02 0.76 -0.20 1.96 -0.67 0.00 0.00 178.83 180.69 1p1j h GLN 170 N 1.18 0.71 0.00 1.46 1.08 -0.98 0.11 115.11 118.66 1p1j h GLN 170 Ca 0.40 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1p1j h GLN 170 Cb 0.07 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1p1j h GLN 170 CO -0.14 0.86 -0.27 0.00 -0.95 0.00 0.00 178.83 178.32 1p1j h ARG 171 N 0.63 0.00 -0.01 1.46 3.08 -0.62 -2.98 114.38 115.94 1p1j h ARG 171 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1p1j h ARG 171 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1p1j h ARG 171 CO 0.05 0.27 -0.49 1.28 -1.07 0.00 0.00 179.97 180.01 1p1j n LEU 172 N -3.41 1.49 -0.12 3.04 4.77 -0.56 -4.61 117.00 117.61 1p1j n LEU 172 Ca 0.00 -0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 55.37 1p1j n LEU 172 Cb 0.47 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1p1j n LEU 172 CO 0.35 0.29 0.61 0.50 -1.33 0.00 0.00 177.39 177.81 1p1j h LYS 173 N 1.57 -0.28 -0.57 3.23 3.64 -0.82 -0.09 116.57 123.26 1p1j h LYS 173 Ca 0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1p1j h LYS 173 Cb 0.63 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1p1j h LYS 173 CO 0.00 -0.18 0.23 0.00 -2.27 0.00 0.00 179.45 177.23 1p1j h ALA 174 N 0.62 0.73 0.02 5.00 0.00 -1.81 0.16 119.26 123.98 1p1j h ALA 174 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p1j h ALA 174 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1p1j h ALA 174 CO -0.55 -0.16 -0.01 0.87 0.00 0.00 0.00 179.25 179.40 1p1j h LYS 175 N 0.44 -0.03 -0.24 0.00 1.57 -1.81 -3.31 116.57 113.19 1p1j h LYS 175 Ca 0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1p1j h LYS 175 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1p1j h LYS 175 CO -0.25 0.60 0.11 0.52 -0.57 0.00 0.00 179.45 179.85 1p1j h MET 176 N -0.69 0.33 0.00 3.15 2.86 -0.93 -1.97 114.93 117.68 1p1j h MET 176 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1p1j h MET 176 Cb 0.64 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1p1j h MET 176 CO 0.01 0.27 -0.05 0.77 1.06 0.00 0.00 176.91 178.97 1p1j h SER 177 N 0.34 0.00 0.79 1.22 0.02 -1.04 -2.02 113.55 112.85 1p1j h SER 177 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1p1j h SER 177 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1p1j h SER 177 CO -0.01 0.05 -0.47 0.18 -1.14 0.00 0.00 176.83 175.43 1p1j n LEU 178 N -3.49 0.56 -4.58 5.07 4.77 -0.74 -4.69 117.00 113.90 1p1j n LEU 178 Ca -0.02 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1p1j n LEU 178 Cb 0.16 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1p1j n LEU 178 CO 0.26 0.01 0.53 -0.69 -1.33 0.00 0.00 177.39 176.17 1p1j s VAL 179 N -3.09 4.76 -0.11 4.08 1.01 -0.78 -5.01 120.40 121.27 1p1j s VAL 179 Ca 0.09 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1p1j s VAL 179 Cb 0.15 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1p1j s VAL 179 CO 0.68 -0.44 -0.23 -0.54 0.00 0.00 0.00 175.10 174.57 1p1j s LYS 180 N 3.03 2.99 0.40 2.72 1.02 -1.26 -0.99 119.74 127.65 1p1j s LYS 180 Ca 0.30 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.17 1p1j s LYS 180 Cb -0.13 -2.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 1p1j s LYS 180 CO 0.17 0.14 1.33 -2.14 -0.92 0.00 0.00 175.35 173.93 1p1j s PRO 181 N 0.44 3.97 0.53 -1.68 0.02 -1.26 -4.91 135.00 132.10 1p1j s PRO 181 Ca -0.17 2.22 -0.19 0.00 0.02 0.00 0.00 61.00 62.88 1p1j s PRO 181 Cb -0.17 -2.78 -0.07 0.00 0.02 0.00 0.00 34.50 31.50 1p1j s PRO 181 CO 0.07 -0.52 1.06 -0.51 -0.33 0.00 0.00 177.00 176.77 1p1j s LEU 182 N -2.41 3.73 0.64 -5.54 1.43 -0.11 -4.72 118.68 111.70 1p1j s LEU 182 Ca 0.57 1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 55.44 1p1j s LEU 182 Cb -0.39 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.26 1p1j s LEU 182 CO 0.51 -0.97 1.22 -2.16 0.23 0.00 0.00 176.35 175.18 1p1j s PRO 183 N -3.47 2.68 0.01 1.29 0.04 -1.26 -1.52 135.00 132.76 1p1j s PRO 183 Ca 0.67 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1p1j s PRO 183 Cb -0.18 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 1p1j s PRO 183 CO 0.26 -1.44 0.00 0.45 0.04 0.00 0.00 177.00 176.31 1p1j n SER 184 N -1.99 1.32 -4.58 6.66 2.88 -0.04 -4.66 113.62 113.20 1p1j n SER 184 Ca 0.14 -1.06 -0.39 0.00 -1.33 0.00 0.00 58.87 56.23 1p1j n SER 184 Cb 0.50 0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 1p1j n SER 184 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1p1j s ILE 185 N -1.40 5.25 -0.33 2.46 1.01 -1.26 -0.41 121.20 126.52 1p1j s ILE 185 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1p1j s ILE 185 Cb 0.00 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.92 1p1j s ILE 185 CO 0.00 0.16 0.03 -0.47 0.00 0.00 0.00 174.94 174.66 1p1j s TYR 186 N 1.89 3.59 -0.50 3.97 6.04 -1.26 -4.87 117.35 126.21 1p1j s TYR 186 Ca 0.10 -2.69 -0.11 0.00 0.04 0.00 0.00 57.07 54.42 1p1j s TYR 186 Cb -0.16 -2.66 0.13 0.00 -1.04 0.00 0.00 41.96 38.22 1p1j s TYR 186 CO 0.11 -0.92 0.40 0.71 -1.54 0.00 0.00 175.55 174.30 1p1j s TYR 187 N 1.01 3.39 0.27 4.97 4.12 -1.26 -4.76 117.35 125.09 1p1j s TYR 187 Ca 0.05 -1.73 0.04 0.00 0.02 0.00 0.00 57.07 55.45 1p1j s TYR 187 Cb -0.20 -3.59 0.73 0.00 -1.52 0.00 0.00 41.96 37.38 1p1j s TYR 187 CO -0.06 -1.00 1.34 -2.30 0.02 0.00 0.00 175.55 173.55 1p1j n PRO 188 N 4.96 -0.07 0.05 -1.71 -0.02 -1.26 -1.84 135.00 135.11 1p1j n PRO 188 Ca -0.09 1.26 0.09 0.00 -2.02 0.00 0.00 63.50 62.75 1p1j n PRO 188 Cb 0.41 -2.05 0.39 0.00 -0.02 0.00 0.00 33.50 32.23 1p1j n PRO 188 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1p1j n ASP 189 N -5.19 0.26 0.06 2.55 2.03 -1.26 -3.35 116.55 111.65 1p1j n ASP 189 Ca 0.22 0.56 0.12 0.00 0.52 0.00 0.00 54.79 56.21 1p1j n ASP 189 Cb 0.73 -0.62 0.18 0.00 -0.72 0.00 0.00 41.12 40.69 1p1j n ASP 189 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1p1j n PHE 190 N -1.79 0.54 -4.47 -0.67 3.01 -0.77 -4.88 117.46 108.43 1p1j n PHE 190 Ca 0.03 0.16 -0.23 0.00 1.01 0.00 0.00 57.45 58.42 1p1j n PHE 190 Cb 0.20 -0.64 -0.09 0.00 -0.01 0.00 0.00 39.48 38.93 1p1j n PHE 190 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1p1j s ILE 191 N -3.16 0.87 0.34 4.37 -4.36 -1.21 -1.36 121.20 116.68 1p1j s ILE 191 Ca 0.07 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.18 1p1j s ILE 191 Cb 0.14 -2.57 -0.12 0.00 1.25 0.00 0.00 42.46 41.15 1p1j s ILE 191 CO 0.72 0.00 1.17 0.00 0.24 0.00 0.00 174.94 177.07 1p1j n ALA 192 N -0.77 0.73 0.25 2.27 0.00 -1.26 -4.87 120.51 116.85 1p1j n ALA 192 Ca -0.04 0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.82 1p1j n ALA 192 Cb 0.66 -2.17 0.60 0.00 0.00 0.00 0.00 19.45 18.55 1p1j n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p1j h ALA 193 N 2.23 1.91 0.00 0.00 0.00 -1.94 -1.92 119.26 119.53 1p1j h ALA 193 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1p1j h ALA 193 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1p1j h ALA 193 CO 0.61 0.06 0.00 0.27 0.00 0.00 0.00 179.25 180.19 1p1j n ASN 194 N -4.47 0.00 -0.17 0.00 0.23 -1.26 -2.11 115.26 107.47 1p1j n ASN 194 Ca -0.03 -0.34 0.12 0.00 -0.53 0.00 0.00 54.58 53.80 1p1j n ASN 194 Cb 0.13 -0.05 0.24 0.00 -2.08 0.00 0.00 39.78 38.03 1p1j n ASN 194 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p1j n GLN 195 N -1.05 0.54 -0.14 -3.83 1.13 -0.72 -4.45 117.38 108.87 1p1j n GLN 195 Ca 0.10 -0.35 -0.06 0.00 -1.94 0.00 0.00 57.00 54.75 1p1j n GLN 195 Cb 0.06 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 28.92 1p1j n GLN 195 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1p1j h ASP 196 N 0.86 -0.86 -0.08 1.08 3.58 -1.62 -1.00 116.42 118.38 1p1j h ASP 196 Ca 0.00 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.65 1p1j h ASP 196 Cb 0.53 0.44 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 1p1j h ASP 196 CO 0.00 -0.27 0.09 -0.08 -2.88 0.00 0.00 179.24 176.10 1p1j h GLU 197 N -0.17 0.00 0.00 0.28 4.81 -1.85 -2.21 114.58 115.45 1p1j h GLU 197 Ca 0.20 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1p1j h GLU 197 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1p1j h GLU 197 CO -0.54 0.00 -0.44 -0.09 -0.73 0.00 0.00 179.01 177.21 1p1j h ARG 198 N 0.00 0.00 -6.55 1.92 2.43 -1.47 -3.43 114.38 107.28 1p1j h ARG 198 Ca 0.04 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.66 1p1j h ARG 198 Cb 0.21 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 1p1j h ARG 198 CO -0.00 0.44 1.00 0.00 -1.51 0.00 0.00 179.97 179.90 1p1j s ALA 199 N -3.30 2.96 0.00 2.80 0.00 -0.83 -4.03 121.76 119.37 1p1j s ALA 199 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1p1j s ALA 199 Cb 0.09 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1p1j s ALA 199 CO 0.71 -2.71 0.70 0.27 0.00 0.00 0.00 175.76 174.73 1p1j n ASN 200 N 8.64 0.00 -3.20 0.00 2.04 0.45 -4.93 115.26 118.26 1p1j n ASN 200 Ca 0.09 -1.46 -0.23 0.00 -0.44 0.00 0.00 54.58 52.54 1p1j n ASN 200 Cb 0.49 -0.09 -0.07 0.00 -2.53 0.00 0.00 39.78 37.58 1p1j n ASN 200 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1p1j n ASN 201 N 0.00 0.47 -4.44 0.53 4.05 0.36 -4.68 115.26 111.56 1p1j n ASN 201 Ca 0.00 -2.78 -0.30 0.00 0.45 0.00 0.00 54.58 51.95 1p1j n ASN 201 Cb 0.59 -0.64 -0.13 0.00 1.23 0.00 0.00 39.78 40.84 1p1j n ASN 201 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1p1j n ILE 203 N 1.34 0.33 -2.51 0.00 -5.35 0.45 -4.62 119.36 108.99 1p1j n ILE 203 Ca -0.16 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.36 1p1j n ILE 203 Cb 0.52 -0.18 0.01 0.00 -1.74 0.00 0.00 39.64 38.25 1p1j n ILE 203 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1p1j n ASN 204 N -2.47 5.34 -4.48 7.28 6.94 -1.26 -4.96 115.26 121.65 1p1j n ASN 204 Ca -0.03 -3.15 -0.32 0.00 -0.02 0.00 0.00 54.58 51.06 1p1j n ASN 204 Cb 0.58 -1.45 -0.13 0.00 -2.36 0.00 0.00 39.78 36.42 1p1j n ASN 204 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1p1j s LEU 205 N -0.50 2.73 0.00 -4.53 1.43 -1.26 -1.23 118.68 115.33 1p1j s LEU 205 Ca 0.38 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1p1j s LEU 205 Cb 0.08 -1.58 0.12 0.00 0.03 0.00 0.00 46.19 44.84 1p1j s LEU 205 CO 0.02 0.30 0.77 -0.90 0.23 0.00 0.00 176.35 176.77 1p1j n ASP 206 N 1.94 0.33 -0.11 2.29 3.85 0.59 -4.82 116.55 120.61 1p1j n ASP 206 Ca -0.16 -1.44 0.18 0.00 -0.71 0.00 0.00 54.79 52.65 1p1j n ASP 206 Cb 0.52 -0.56 0.57 0.00 -1.35 0.00 0.00 41.12 40.30 1p1j n ASP 206 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1p1j h GLU 207 N 0.00 0.26 -0.49 0.11 4.11 -2.01 0.20 114.58 116.77 1p1j h GLU 207 Ca -0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1p1j h GLU 207 Cb 0.75 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1p1j h GLU 207 CO 0.20 0.17 0.00 1.63 0.07 0.00 0.00 179.01 181.08 1p1j n LYS 208 N -4.44 2.18 -1.97 1.06 5.02 -1.26 -4.90 118.16 113.85 1p1j n LYS 208 Ca 0.13 -1.45 -0.11 0.00 -2.02 0.00 0.00 58.31 54.86 1p1j n LYS 208 Cb 0.57 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 1p1j n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p1j n GLY 209 N 0.91 0.27 3.61 0.72 0.00 0.71 -5.02 105.19 106.39 1p1j n GLY 209 Ca 0.13 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1p1j n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1j s ASN 210 N -2.60 4.71 0.24 1.61 0.01 -1.26 -4.76 114.94 112.89 1p1j s ASN 210 Ca 0.00 -0.14 -0.31 0.00 -0.71 0.00 0.00 52.86 51.70 1p1j s ASN 210 Cb 0.00 -1.11 -0.13 0.00 0.41 0.00 0.00 41.25 40.42 1p1j s ASN 210 CO 0.00 0.27 1.41 0.52 -1.51 0.00 0.00 177.10 177.79 1p1j n VAL 211 N 1.45 0.95 -3.86 1.60 0.31 -1.26 -0.30 118.33 117.22 1p1j n VAL 211 Ca -0.15 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 1p1j n VAL 211 Cb 0.52 -1.48 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 1p1j n VAL 211 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1p1j s THR 212 N -0.06 0.07 -2.24 2.52 -1.32 -0.36 -4.82 115.64 109.43 1p1j s THR 212 Ca 0.68 -0.57 0.22 0.00 -1.21 0.00 0.00 61.69 60.80 1p1j s THR 212 Cb -0.65 -0.40 0.50 0.00 -1.51 0.00 0.00 72.50 70.44 1p1j s THR 212 CO 0.50 -0.31 1.45 0.35 -2.21 0.00 0.00 174.62 174.40 1p1j n THR 213 N 1.71 0.64 -3.11 5.08 -2.24 -1.26 -4.75 114.28 110.35 1p1j n THR 213 Ca -0.21 -0.76 -0.35 0.00 -2.27 0.00 0.00 64.05 60.46 1p1j n THR 213 Cb 0.56 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 1p1j n THR 213 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p1j s ARG 214 N -1.36 4.18 0.00 -0.78 3.52 -1.26 -4.24 118.95 119.00 1p1j s ARG 214 Ca 0.40 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 1p1j s ARG 214 Cb 0.22 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 1p1j s ARG 214 CO 0.30 0.32 0.00 0.41 -0.81 0.00 0.00 175.30 175.52 1p1j n GLY 215 N 0.38 0.81 0.28 8.12 0.00 -1.26 -4.97 105.19 108.55 1p1j n GLY 215 Ca -0.00 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.35 1p1j n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p1j h LYS 216 N 0.00 0.20 -0.24 1.61 1.57 -1.75 -1.67 116.57 116.29 1p1j h LYS 216 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1p1j h LYS 216 Cb 0.99 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1p1j h LYS 216 CO 0.00 0.14 -0.36 2.35 -0.57 0.00 0.00 179.45 181.02 1p1j h TRP 217 N 0.21 0.63 -0.34 -1.35 2.91 -1.87 -1.41 115.95 114.73 1p1j h TRP 217 Ca 0.06 -0.17 -0.10 0.00 1.13 0.00 0.00 58.89 59.81 1p1j h TRP 217 Cb -0.01 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.49 1p1j h TRP 217 CO 0.00 0.82 -0.21 1.15 -1.03 0.00 0.00 178.44 179.17 1p1j h THR 218 N 0.45 1.26 -0.54 2.65 2.02 -1.70 -0.74 112.91 116.32 1p1j h THR 218 Ca 0.05 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 1p1j h THR 218 Cb 0.83 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1p1j h THR 218 CO 0.07 0.42 0.13 0.45 0.37 0.00 0.00 175.52 176.96 1p1j h HIS 219 N 0.57 0.91 -0.46 3.16 3.86 -1.07 -0.93 115.15 121.19 1p1j h HIS 219 Ca 0.09 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1p1j h HIS 219 Cb 0.67 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 1p1j h HIS 219 CO 0.03 0.79 0.29 1.25 0.86 0.00 0.00 177.93 181.16 1p1j h LEU 220 N 0.77 0.50 -1.17 2.43 7.12 -0.83 -1.39 115.31 122.73 1p1j h LEU 220 Ca 0.17 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 58.11 1p1j h LEU 220 Cb 0.34 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 1p1j h LEU 220 CO 0.00 0.36 -0.14 1.56 -0.13 0.00 0.00 178.44 180.09 1p1j h GLN 221 N 0.59 0.41 -0.36 1.25 1.08 -0.81 -2.05 115.11 115.22 1p1j h GLN 221 Ca 0.17 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1p1j h GLN 221 Cb -0.04 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1p1j h GLN 221 CO -0.05 0.55 -0.04 -0.09 -0.95 0.00 0.00 178.83 178.25 1p1j h ARG 222 N 0.38 0.67 -0.66 1.46 9.65 -0.63 -2.06 114.38 123.20 1p1j h ARG 222 Ca 0.07 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 1p1j h ARG 222 Cb 0.47 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 1p1j h ARG 222 CO 0.03 0.80 0.30 0.82 2.80 0.00 0.00 179.97 184.72 1p1j h ILE 223 N 0.47 1.23 -0.78 1.20 1.08 -0.94 0.19 117.51 119.95 1p1j h ILE 223 Ca 0.10 -0.67 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1p1j h ILE 223 Cb 0.52 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1p1j h ILE 223 CO 0.03 0.27 0.52 0.03 -0.69 0.00 0.00 178.15 178.30 1p1j h ARG 224 N 0.91 1.02 -0.31 2.37 3.08 -1.29 -1.54 114.38 118.61 1p1j h ARG 224 Ca 0.22 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1p1j h ARG 224 Cb 0.15 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1p1j h ARG 224 CO -0.03 0.67 -0.31 -0.09 -1.07 0.00 0.00 179.97 179.15 1p1j h ARG 225 N 1.05 0.66 -0.85 0.04 9.65 -0.83 -2.19 114.38 121.90 1p1j h ARG 225 Ca 0.29 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1p1j h ARG 225 Cb -0.10 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.41 1p1j h ARG 225 CO -0.07 0.89 0.54 -0.44 2.80 0.00 0.00 179.97 183.69 1p1j h ASP 226 N 0.57 0.89 -0.17 -3.80 3.45 0.04 0.30 116.42 117.69 1p1j h ASP 226 Ca 0.07 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 1p1j h ASP 226 Cb 0.81 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 1p1j h ASP 226 CO 0.07 0.60 0.05 0.40 -1.57 0.00 0.00 179.24 178.79 1p1j h ILE 227 N 1.04 1.19 -0.51 0.35 2.04 -0.99 -0.35 117.51 120.29 1p1j h ILE 227 Ca 0.35 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1p1j h ILE 227 Cb 0.05 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1p1j h ILE 227 CO -0.13 0.18 0.32 1.56 0.00 0.00 0.00 178.15 180.08 1p1j h GLN 228 N 0.09 0.63 -0.11 2.37 4.20 -0.83 -1.33 115.11 120.13 1p1j h GLN 228 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1p1j h GLN 228 Cb 0.23 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1p1j h GLN 228 CO -0.00 0.42 0.07 -0.91 -0.67 0.00 0.00 178.83 177.74 1p1j h ASN 229 N 0.65 0.13 -0.56 1.46 -0.26 -0.27 -2.18 115.58 114.55 1p1j h ASN 229 Ca 0.19 -0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 1p1j h ASN 229 Cb -0.04 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.14 1p1j h ASN 229 CO -0.06 0.12 0.30 0.15 -1.06 0.00 0.00 177.43 176.88 1p1j h PHE 230 N 0.13 0.55 0.19 1.19 3.57 -0.82 -1.06 116.94 120.69 1p1j h PHE 230 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1p1j h PHE 230 Cb 0.01 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1p1j h PHE 230 CO -0.06 0.27 -0.21 -0.22 -2.23 0.00 0.00 178.31 175.85 1p1j h LYS 231 N 0.57 -0.43 -0.14 1.11 3.64 -0.98 -2.90 116.57 117.44 1p1j h LYS 231 Ca 0.25 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1p1j h LYS 231 Cb 0.14 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1p1j h LYS 231 CO -0.16 -0.29 -0.36 1.05 -2.27 0.00 0.00 179.45 177.42 1p1j h GLU 232 N -0.45 0.30 0.00 1.90 4.11 -1.21 -1.31 114.58 117.93 1p1j h GLU 232 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1p1j h GLU 232 Cb 0.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1p1j h GLU 232 CO -0.07 0.63 0.00 0.93 0.07 0.00 0.00 179.01 180.57 1p1j h GLU 233 N 0.26 0.00 -0.07 1.06 5.08 -1.07 -2.54 114.58 117.31 1p1j h GLU 233 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1p1j h GLU 233 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1p1j h GLU 233 CO 0.06 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 1p1j n ASN 234 N -2.62 2.28 -4.05 1.42 3.02 -1.07 -4.99 115.26 109.25 1p1j n ASN 234 Ca 0.00 -2.22 -0.29 0.00 -0.03 0.00 0.00 54.58 52.05 1p1j n ASN 234 Cb 0.21 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1p1j n ASN 234 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p1j n ALA 235 N -0.49 -1.78 -2.94 5.41 0.00 -0.96 -4.95 120.51 114.81 1p1j n ALA 235 Ca 0.05 -0.19 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 1p1j n ALA 235 Cb 0.37 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1p1j n ALA 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p1j s LEU 236 N -7.09 4.34 -0.10 0.00 1.43 -0.53 -5.03 118.68 111.70 1p1j s LEU 236 Ca 0.23 0.19 0.10 0.00 -1.03 0.00 0.00 54.13 53.62 1p1j s LEU 236 Cb -0.12 -2.92 -0.14 0.00 0.03 0.00 0.00 46.19 43.03 1p1j s LEU 236 CO 0.91 0.06 0.06 0.47 0.23 0.00 0.00 176.35 178.08 1p1j n ASP 237 N -0.45 2.21 -4.12 2.29 10.43 -1.26 -4.70 116.55 120.95 1p1j n ASP 237 Ca -0.07 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.08 1p1j n ASP 237 Cb 0.54 0.85 -0.14 0.00 1.84 0.00 0.00 41.12 44.20 1p1j n ASP 237 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1p1j s LYS 238 N -2.33 1.08 0.01 -1.24 1.02 -1.26 -5.09 119.74 111.94 1p1j s LYS 238 Ca -0.05 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.33 1p1j s LYS 238 Cb 0.04 -1.07 -0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1p1j s LYS 238 CO 0.47 0.28 0.00 0.08 -0.92 0.00 0.00 175.35 175.26 1p1j s VAL 239 N -0.51 0.09 -0.01 3.17 1.01 -1.26 -0.93 120.40 121.97 1p1j s VAL 239 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1p1j s VAL 239 Cb -0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1p1j s VAL 239 CO 0.00 -0.41 -0.08 -0.63 0.00 0.00 0.00 175.10 173.98 1p1j s ILE 240 N -1.24 0.64 -0.10 2.22 1.01 -0.27 -4.20 121.20 119.26 1p1j s ILE 240 Ca -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1p1j s ILE 240 Cb -0.08 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1p1j s ILE 240 CO -0.00 0.18 -0.07 -0.69 0.00 0.00 0.00 174.94 174.36 1p1j s VAL 241 N -0.14 3.68 -0.03 2.92 1.01 -0.21 -1.39 120.40 126.24 1p1j s VAL 241 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1p1j s VAL 241 Cb -0.04 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1p1j s VAL 241 CO -0.00 0.56 -0.03 -0.22 0.00 0.00 0.00 175.10 175.41 1p1j s LEU 242 N -0.35 1.50 -0.31 3.92 0.20 -0.72 -1.32 118.68 121.60 1p1j s LEU 242 Ca 0.05 -0.08 -0.23 0.00 0.69 0.00 0.00 54.13 54.56 1p1j s LEU 242 Cb -0.12 -0.30 -0.00 0.00 -0.43 0.00 0.00 46.19 45.33 1p1j s LEU 242 CO 0.02 -0.03 0.76 0.86 -0.29 0.00 0.00 176.35 177.67 1p1j s TRP 243 N 0.61 3.20 -0.29 5.38 -0.11 0.51 -1.39 118.94 126.85 1p1j s TRP 243 Ca -0.07 0.77 0.19 0.00 1.22 0.00 0.00 56.10 58.21 1p1j s TRP 243 Cb -0.10 -3.19 0.48 0.00 -1.50 0.00 0.00 33.47 29.16 1p1j s TRP 243 CO -0.01 -0.56 1.06 -2.37 -4.62 0.00 0.00 176.95 170.46 1p1j n THR 244 N 5.52 1.34 -3.76 5.86 5.66 0.55 -1.43 114.28 128.01 1p1j n THR 244 Ca 0.03 -3.18 -0.25 0.00 -3.05 0.00 0.00 64.05 57.60 1p1j n THR 244 Cb 0.48 0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 70.00 1p1j n THR 244 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p1j s ALA 245 N -3.54 4.34 0.23 1.79 0.00 -0.73 -4.40 121.76 119.44 1p1j s ALA 245 Ca 0.30 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1p1j s ALA 245 Cb 0.38 -0.83 -0.16 0.00 0.00 0.00 0.00 23.12 22.52 1p1j s ALA 245 CO -0.01 -0.43 0.81 0.09 0.00 0.00 0.00 175.76 176.22 1p1j n ASN 246 N -1.73 0.15 -4.72 0.00 5.03 -1.26 -4.85 115.26 107.87 1p1j n ASN 246 Ca 0.01 1.15 -0.42 0.00 0.87 0.00 0.00 54.58 56.19 1p1j n ASN 246 Cb 0.64 -1.12 -0.03 0.00 -1.02 0.00 0.00 39.78 38.24 1p1j n ASN 246 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1p1j s THR 247 N -0.93 2.63 0.42 3.41 2.01 -1.26 -5.00 115.64 116.92 1p1j s THR 247 Ca 0.63 0.45 0.04 0.00 0.31 0.00 0.00 61.69 63.12 1p1j s THR 247 Cb -0.83 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1p1j s THR 247 CO 0.58 0.04 0.60 -1.61 -0.69 0.00 0.00 174.62 173.53 1p1j s GLU 248 N 1.06 2.96 0.74 4.92 2.02 -1.26 -4.76 118.70 124.37 1p1j s GLU 248 Ca 0.69 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 54.73 1p1j s GLU 248 Cb -0.44 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.16 1p1j s GLU 248 CO 0.32 -0.23 1.11 -0.98 0.02 0.00 0.00 175.26 175.50 1p1j s ARG 249 N -4.42 2.58 0.68 1.61 1.70 -0.47 -4.31 118.95 116.31 1p1j s ARG 249 Ca 0.50 0.42 -0.12 0.00 -0.47 0.00 0.00 55.73 56.06 1p1j s ARG 249 Cb -0.10 -1.99 0.00 0.00 -0.57 0.00 0.00 34.95 32.29 1p1j s ARG 249 CO 0.35 -1.22 1.07 0.71 -1.08 0.00 0.00 175.30 175.12 1p1j s TYR 250 N -3.37 2.93 0.17 5.89 1.51 -1.26 -4.73 117.35 118.50 1p1j s TYR 250 Ca 0.59 1.48 0.07 0.00 -1.01 0.00 0.00 57.07 58.21 1p1j s TYR 250 Cb -0.12 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 1p1j s TYR 250 CO 0.52 -1.35 0.02 0.14 -1.11 0.00 0.00 175.55 173.77 1p1j s VAL 251 N -2.79 3.84 0.21 0.71 -7.23 -1.26 -5.02 120.40 108.86 1p1j s VAL 251 Ca 0.61 -1.38 -0.25 0.00 -1.81 0.00 0.00 61.98 59.15 1p1j s VAL 251 Cb -0.16 -2.94 -0.08 0.00 0.56 0.00 0.00 36.38 33.76 1p1j s VAL 251 CO 0.49 -0.11 0.82 -0.70 -0.31 0.00 0.00 175.10 175.29 1p1j s GLU 252 N -2.98 4.58 -0.31 4.82 2.12 -1.26 -4.99 118.70 120.68 1p1j s GLU 252 Ca 0.28 1.20 -0.10 0.00 0.36 0.00 0.00 54.97 56.71 1p1j s GLU 252 Cb -0.09 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1p1j s GLU 252 CO 0.19 0.50 0.16 0.08 -0.54 0.00 0.00 175.26 175.65 1p1j s VAL 253 N -1.27 4.66 0.03 3.70 1.01 -1.26 -4.91 120.40 122.35 1p1j s VAL 253 Ca 0.40 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1p1j s VAL 253 Cb -0.22 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1p1j s VAL 253 CO 0.26 0.06 -0.10 -0.94 0.00 0.00 0.00 175.10 174.39 1p1j s SER 254 N 1.62 1.19 0.34 3.32 1.04 -1.26 -5.03 113.70 114.92 1p1j s SER 254 Ca 0.05 -0.38 -0.28 0.00 0.48 0.00 0.00 55.95 55.82 1p1j s SER 254 Cb -0.17 -0.06 -0.12 0.00 0.10 0.00 0.00 66.02 65.76 1p1j s SER 254 CO 0.07 -0.01 1.28 -0.81 0.98 0.00 0.00 173.24 174.74 1p1j n PRO 255 N 2.09 2.10 0.00 4.02 -0.04 -1.26 -1.68 135.00 140.23 1p1j n PRO 255 Ca -0.18 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1p1j n PRO 255 Cb 0.56 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1p1j n PRO 255 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p1j n GLY 256 N 0.79 2.35 0.45 0.55 0.00 -1.26 -4.85 105.19 103.22 1p1j n GLY 256 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1p1j n GLY 256 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p1j n VAL 257 N -2.00 0.39 -2.10 1.61 0.31 -0.68 -4.85 118.33 111.01 1p1j n VAL 257 Ca 0.00 0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.65 1p1j n VAL 257 Cb 0.00 -1.49 0.08 0.00 -0.91 0.00 0.00 33.84 31.52 1p1j n VAL 257 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1p1j n ASN 258 N -2.93 1.19 0.09 4.52 2.04 -1.18 -2.65 115.26 116.34 1p1j n ASN 258 Ca -0.02 -2.64 0.03 0.00 -0.44 0.00 0.00 54.58 51.50 1p1j n ASN 258 Cb 0.08 -0.37 -0.02 0.00 -2.53 0.00 0.00 39.78 36.94 1p1j n ASN 258 CO 0.00 0.00 0.00 -2.24 -0.44 0.00 0.00 177.26 174.58 1p1j h ASP 259 N 0.85 0.00 -4.30 0.53 -0.00 -1.92 -0.79 116.42 110.80 1p1j h ASP 259 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.03 56.61 1p1j h ASP 259 Cb 1.53 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 40.71 1p1j h ASP 259 CO 0.05 0.45 -0.68 0.42 -0.00 0.00 0.00 179.24 179.48 1p1j s THR 260 N -3.01 0.86 0.19 1.15 -4.23 -1.26 -3.27 115.64 106.07 1p1j s THR 260 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1p1j s THR 260 Cb 0.08 -2.00 0.11 0.00 1.34 0.00 0.00 72.50 72.03 1p1j s THR 260 CO 0.78 -0.60 1.81 -0.03 -0.54 0.00 0.00 174.62 176.04 1p1j h MET 261 N 2.74 0.62 0.05 3.99 1.85 -1.84 0.77 114.93 123.10 1p1j h MET 261 Ca -0.37 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 58.68 1p1j h MET 261 Cb 1.20 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.09 1p1j h MET 261 CO 0.64 0.41 -0.03 0.93 -0.40 0.00 0.00 176.91 178.46 1p1j h GLU 262 N 0.63 -0.07 -0.82 0.39 3.07 -1.97 -2.42 114.58 113.40 1p1j h GLU 262 Ca 0.25 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 1p1j h GLU 262 Cb 0.11 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1p1j h GLU 262 CO -0.14 0.11 0.40 -0.91 -1.40 0.00 0.00 179.01 177.07 1p1j h ASN 263 N -0.24 1.06 0.14 1.42 -0.26 -1.79 -2.39 115.58 113.53 1p1j h ASN 263 Ca -0.01 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1p1j h ASN 263 Cb 0.21 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1p1j h ASN 263 CO 0.01 0.89 -0.13 0.25 -1.06 0.00 0.00 177.43 177.39 1p1j h LEU 264 N 1.15 -0.35 -0.96 1.61 5.85 -0.61 0.13 115.31 122.14 1p1j h LEU 264 Ca 0.28 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.07 1p1j h LEU 264 Cb 0.10 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1p1j h LEU 264 CO -0.04 -0.20 0.63 -0.07 -0.34 0.00 0.00 178.44 178.41 1p1j h LEU 265 N -0.30 1.05 -0.56 2.25 3.38 -1.33 -1.76 115.31 118.04 1p1j h LEU 265 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1p1j h LEU 265 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1p1j h LEU 265 CO -0.03 0.73 -0.27 -0.61 0.09 0.00 0.00 178.44 178.35 1p1j h GLN 266 N 1.22 0.87 -0.48 1.13 5.75 -1.10 -2.55 115.11 119.96 1p1j h GLN 266 Ca 0.38 -0.39 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1p1j h GLN 266 Cb -0.02 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 1p1j h GLN 266 CO -0.12 1.03 0.18 0.77 -2.65 0.00 0.00 178.83 178.05 1p1j h SER 267 N 0.74 0.62 -0.25 -0.69 0.02 -0.14 0.28 113.55 114.13 1p1j h SER 267 Ca 0.09 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1p1j h SER 267 Cb 0.82 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1p1j h SER 267 CO 0.07 0.57 0.02 0.40 -1.14 0.00 0.00 176.83 176.75 1p1j h ILE 268 N 0.68 1.24 0.00 3.27 2.04 -1.13 0.19 117.51 123.80 1p1j h ILE 268 Ca 0.16 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1p1j h ILE 268 Cb 0.15 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1p1j h ILE 268 CO -0.02 0.27 -0.09 0.11 0.00 0.00 0.00 178.15 178.42 1p1j h LYS 269 N 0.22 0.00 -0.19 2.37 1.57 -0.98 -0.96 116.57 118.59 1p1j h LYS 269 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1p1j h LYS 269 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1p1j h LYS 269 CO 0.01 0.09 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 1p1j n ASN 270 N -4.00 1.77 -3.04 0.86 5.03 0.03 -4.79 115.26 111.11 1p1j n ASN 270 Ca -0.02 -1.75 -0.22 0.00 0.87 0.00 0.00 54.58 53.46 1p1j n ASN 270 Cb 0.18 -0.12 0.02 0.00 -1.02 0.00 0.00 39.78 38.84 1p1j n ASN 270 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1p1j n ASP 271 N 0.40 -5.35 -4.71 6.41 10.43 -0.37 -4.89 116.55 118.47 1p1j n ASP 271 Ca 0.16 -0.27 -0.41 0.00 2.57 0.00 0.00 54.79 56.83 1p1j n ASP 271 Cb 0.34 -4.36 0.00 0.00 1.84 0.00 0.00 41.12 38.95 1p1j n ASP 271 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 1p1j n HIS 272 N -4.27 2.30 0.38 1.24 -0.00 -0.03 -4.87 115.22 109.98 1p1j n HIS 272 Ca -0.10 0.51 0.06 0.00 0.46 0.00 0.00 57.72 58.66 1p1j n HIS 272 Cb 0.60 -2.41 0.28 0.00 -0.12 0.00 0.00 29.99 28.34 1p1j n HIS 272 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1p1j n GLU 273 N 0.27 0.03 -0.11 1.57 1.02 -1.26 -2.07 120.64 120.08 1p1j n GLU 273 Ca 0.05 0.33 0.10 0.00 -0.02 0.00 0.00 57.16 57.62 1p1j n GLU 273 Cb 0.38 -1.56 0.32 0.00 -0.02 0.00 0.00 31.44 30.56 1p1j n GLU 273 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p1j n GLU 274 N -1.61 1.83 -3.45 3.49 1.02 -1.26 -4.75 120.64 115.91 1p1j n GLU 274 Ca 0.03 -1.26 -0.43 0.00 -0.02 0.00 0.00 57.16 55.47 1p1j n GLU 274 Cb 0.14 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1p1j n GLU 274 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p1j s ILE 275 N -1.70 5.18 0.59 -3.67 -1.09 -0.88 -4.81 121.20 114.81 1p1j s ILE 275 Ca 0.31 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1p1j s ILE 275 Cb 0.17 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1p1j s ILE 275 CO 0.25 -0.40 0.84 0.00 -1.23 0.00 0.00 174.94 174.40 1p1j s ALA 276 N 1.65 3.67 0.21 9.38 0.00 -1.26 -4.96 121.76 130.46 1p1j s ALA 276 Ca 0.04 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 1p1j s ALA 276 Cb -0.21 -2.24 0.18 0.00 0.00 0.00 0.00 23.12 20.86 1p1j s ALA 276 CO 0.08 -0.88 1.88 -1.35 0.00 0.00 0.00 175.76 175.49 1p1j h PRO 277 N -0.10 0.98 -0.40 0.00 0.11 -1.92 -1.53 132.00 129.13 1p1j h PRO 277 Ca -0.43 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1p1j h PRO 277 Cb 1.30 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1p1j h PRO 277 CO 0.55 0.65 0.16 0.66 -0.21 0.00 0.00 178.00 179.81 1p1j h SER 278 N 1.01 0.50 -0.59 -2.05 4.64 -1.94 -0.53 113.55 114.60 1p1j h SER 278 Ca 0.29 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1p1j h SER 278 Cb -0.08 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 1p1j h SER 278 CO -0.08 0.46 0.37 0.74 -0.87 0.00 0.00 176.83 177.45 1p1j h THR 279 N 0.56 1.09 -0.24 2.95 2.02 -1.60 0.12 112.91 117.81 1p1j h THR 279 Ca 0.14 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1p1j h THR 279 Cb 0.11 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1p1j h THR 279 CO -0.01 0.13 0.02 0.40 0.37 0.00 0.00 175.52 176.43 1p1j h ILE 280 N 0.74 1.25 -0.67 3.11 1.08 -0.77 -1.11 117.51 121.12 1p1j h ILE 280 Ca 0.23 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1p1j h ILE 280 Cb -0.01 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1p1j h ILE 280 CO -0.08 0.27 0.38 -0.26 -0.69 0.00 0.00 178.15 177.76 1p1j h PHE 281 N 0.20 0.92 -0.17 1.37 -1.00 -0.80 0.33 116.94 117.78 1p1j h PHE 281 Ca 0.07 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1p1j h PHE 281 Cb 0.38 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1p1j h PHE 281 CO 0.03 0.64 0.06 0.00 -1.61 0.00 0.00 178.31 177.43 1p1j h ALA 282 N 1.19 0.22 -0.51 2.45 0.00 -0.92 -1.05 119.26 120.64 1p1j h ALA 282 Ca 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1p1j h ALA 282 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1p1j h ALA 282 CO -0.04 -0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.35 1p1j h ALA 283 N 0.89 0.65 -0.52 0.00 0.00 -0.94 -0.28 119.26 119.06 1p1j h ALA 283 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1p1j h ALA 283 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1p1j h ALA 283 CO -0.00 0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.55 1p1j h ALA 284 N 1.22 0.67 -0.34 0.00 0.00 -0.79 -0.70 119.26 119.32 1p1j h ALA 284 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1p1j h ALA 284 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1p1j h ALA 284 CO -0.09 0.19 0.14 0.77 0.00 0.00 0.00 179.25 180.26 1p1j h SER 285 N 0.70 0.47 -0.53 0.00 0.02 -0.82 -1.83 113.55 111.56 1p1j h SER 285 Ca 0.18 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1p1j h SER 285 Cb 0.04 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1p1j h SER 285 CO -0.03 0.50 0.33 0.40 -1.14 0.00 0.00 176.83 176.88 1p1j h ILE 286 N 0.40 1.08 0.00 3.27 2.04 -0.85 0.54 117.51 123.99 1p1j h ILE 286 Ca 0.11 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1p1j h ILE 286 Cb 0.17 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1p1j h ILE 286 CO -0.01 0.12 -0.18 -0.07 0.00 0.00 0.00 178.15 178.01 1p1j h LEU 287 N 0.65 0.00 -0.64 1.44 3.38 -0.94 -1.89 115.31 117.32 1p1j h LEU 287 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1p1j h LEU 287 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1p1j h LEU 287 CO -0.08 0.18 -0.18 -0.62 0.09 0.00 0.00 178.44 177.84 1p1j n GLU 288 N -3.64 1.10 -1.55 1.13 -0.58 -0.70 -4.93 120.64 111.47 1p1j n GLU 288 Ca -0.01 -0.64 -0.06 0.00 -0.42 0.00 0.00 57.16 56.03 1p1j n GLU 288 Cb 0.31 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1p1j n GLU 288 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p1j n GLY 289 N 1.29 0.55 3.55 0.62 0.00 -0.67 -5.02 105.19 105.51 1p1j n GLY 289 Ca 0.14 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1p1j n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p1j s VAL 290 N -2.25 4.56 0.30 1.61 1.01 0.09 -4.91 120.40 120.81 1p1j s VAL 290 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1p1j s VAL 290 Cb 0.00 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.16 1p1j s VAL 290 CO 0.00 0.41 1.24 -2.65 0.00 0.00 0.00 175.10 174.09 1p1j n PRO 291 N 4.12 1.86 -4.55 2.72 -0.02 -1.26 -4.10 135.00 133.77 1p1j n PRO 291 Ca -0.16 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.68 1p1j n PRO 291 Cb 0.52 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 1p1j n PRO 291 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1p1j s TYR 292 N -0.81 2.12 -0.14 6.00 6.14 -0.63 -1.05 117.35 128.99 1p1j s TYR 292 Ca 0.60 -1.00 0.02 0.00 0.64 0.00 0.00 57.07 57.33 1p1j s TYR 292 Cb -0.63 -1.50 0.00 0.00 0.42 0.00 0.00 41.96 40.25 1p1j s TYR 292 CO 0.58 -0.49 -0.19 0.42 0.64 0.00 0.00 175.55 176.51 1p1j s ILE 293 N 0.90 2.35 -0.55 3.14 1.01 -0.43 -1.73 121.20 125.88 1p1j s ILE 293 Ca -0.08 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 1p1j s ILE 293 Cb -0.15 -1.96 0.08 0.00 0.01 0.00 0.00 42.46 40.44 1p1j s ILE 293 CO -0.01 0.54 0.66 0.21 0.00 0.00 0.00 174.94 176.34 1p1j s ASN 294 N 0.72 6.20 0.00 3.58 3.04 0.39 -0.36 114.94 128.50 1p1j s ASN 294 Ca -0.08 -1.21 0.20 0.00 0.04 0.00 0.00 52.86 51.81 1p1j s ASN 294 Cb -0.16 -2.29 0.97 0.00 -1.54 0.00 0.00 41.25 38.23 1p1j s ASN 294 CO 0.01 -1.01 1.65 0.61 -3.04 0.00 0.00 177.10 175.32 1p1j n GLY 295 N 5.23 -0.46 3.70 1.21 0.00 -0.51 0.84 105.19 115.20 1p1j n GLY 295 Ca -0.08 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1p1j n GLY 295 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p1j s SER 296 N -1.59 4.29 0.07 1.61 0.01 -1.26 -2.25 113.70 114.59 1p1j s SER 296 Ca 0.30 -1.11 0.26 0.00 1.31 0.00 0.00 55.95 56.70 1p1j s SER 296 Cb 0.15 -0.48 0.62 0.00 0.21 0.00 0.00 66.02 66.52 1p1j s SER 296 CO 0.24 -0.47 1.52 -0.81 0.41 0.00 0.00 173.24 174.13 1p1j n PRO 297 N -1.14 0.15 -1.42 12.44 -0.04 -1.26 -0.21 135.00 143.51 1p1j n PRO 297 Ca -0.02 0.06 -0.36 0.00 -0.04 0.00 0.00 63.50 63.14 1p1j n PRO 297 Cb 0.65 -1.61 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 1p1j n PRO 297 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p1j n GLN 298 N -1.84 0.62 -1.17 0.54 0.00 -1.26 -4.82 117.38 109.44 1p1j n GLN 298 Ca 0.05 0.27 -0.24 0.00 0.00 0.00 0.00 57.00 57.07 1p1j n GLN 298 Cb 0.39 -2.32 -0.10 0.00 0.00 0.00 0.00 30.24 28.21 1p1j n GLN 298 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1p1j n ASN 299 N -1.89 6.83 -0.21 2.61 6.94 -1.26 -4.71 115.26 123.57 1p1j n ASN 299 Ca 0.14 -2.56 0.01 0.00 -0.02 0.00 0.00 54.58 52.15 1p1j n ASN 299 Cb 0.49 -1.47 0.11 0.00 -2.36 0.00 0.00 39.78 36.55 1p1j n ASN 299 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1p1j h THR 300 N 2.43 0.50 0.00 5.53 2.02 -1.94 -3.28 112.91 118.16 1p1j h THR 300 Ca 0.50 -0.05 -0.68 0.00 0.77 0.00 0.00 66.41 66.95 1p1j h THR 300 Cb 0.94 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1p1j h THR 300 CO 0.93 0.03 3.13 0.49 0.37 0.00 0.00 175.52 180.47 1p1j n PHE 301 N -5.26 3.06 -0.94 3.16 3.01 -1.26 -4.79 117.46 114.43 1p1j n PHE 301 Ca 0.10 -2.81 -0.31 0.00 1.01 0.00 0.00 57.45 55.44 1p1j n PHE 301 Cb 0.37 -2.40 0.14 0.00 -0.01 0.00 0.00 39.48 37.58 1p1j n PHE 301 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1p1j s VAL 302 N 3.28 2.57 0.33 -4.37 -7.23 -1.24 -4.64 120.40 109.10 1p1j s VAL 302 Ca 0.52 0.18 0.10 0.00 -1.81 0.00 0.00 61.98 60.97 1p1j s VAL 302 Cb 0.15 -2.43 0.32 0.00 0.56 0.00 0.00 36.38 34.98 1p1j s VAL 302 CO -0.06 -0.24 1.75 1.55 -0.31 0.00 0.00 175.10 177.79 1p1j h PRO 303 N -1.65 0.58 0.00 4.82 0.13 -1.83 0.68 132.00 134.72 1p1j h PRO 303 Ca -0.46 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1p1j h PRO 303 Cb 1.26 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1p1j h PRO 303 CO 0.47 0.38 -0.21 0.78 -0.23 0.00 0.00 178.00 179.20 1p1j h GLY 304 N 0.59 0.00 1.50 1.56 0.00 -1.12 -1.19 103.07 104.41 1p1j h GLY 304 Ca 0.62 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.65 1p1j h GLY 304 CO -0.43 0.00 -1.33 -2.00 0.00 0.00 0.00 176.54 172.78 1p1j h LEU 305 N 0.00 0.58 -0.70 3.11 5.85 -1.13 -2.24 115.31 120.78 1p1j h LEU 305 Ca -0.00 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 58.03 1p1j h LEU 305 Cb 0.39 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1p1j h LEU 305 CO 0.03 1.49 0.17 0.58 -0.34 0.00 0.00 178.44 180.37 1p1j h VAL 306 N 0.10 1.26 -0.56 1.05 2.07 -1.07 -1.15 116.25 117.95 1p1j h VAL 306 Ca -0.18 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1p1j h VAL 306 Cb 2.05 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1p1j h VAL 306 CO 0.23 0.37 0.32 -0.61 0.02 0.00 0.00 177.57 177.90 1p1j h GLN 307 N 1.05 0.77 -0.65 1.57 4.15 -1.24 -0.18 115.11 120.58 1p1j h GLN 307 Ca 0.22 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 1p1j h GLN 307 Cb 0.37 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1p1j h GLN 307 CO 0.00 0.57 0.40 1.25 -1.93 0.00 0.00 178.83 179.13 1p1j h LEU 308 N 0.75 0.77 -0.71 -2.39 5.85 -0.91 0.13 115.31 118.80 1p1j h LEU 308 Ca 0.20 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1p1j h LEU 308 Cb 0.02 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1p1j h LEU 308 CO -0.03 0.59 0.22 0.00 -0.34 0.00 0.00 178.44 178.87 1p1j h ALA 309 N 1.21 0.94 -0.64 1.25 0.00 -0.78 0.35 119.26 121.59 1p1j h ALA 309 Ca 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1p1j h ALA 309 Cb -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1p1j h ALA 309 CO -0.05 0.62 0.20 0.93 0.00 0.00 0.00 179.25 180.96 1p1j h GLU 310 N 1.06 0.98 -0.28 0.00 5.08 -0.55 0.37 114.58 121.24 1p1j h GLU 310 Ca 0.23 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1p1j h GLU 310 Cb 0.31 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1p1j h GLU 310 CO -0.01 0.86 -0.08 1.25 -1.00 0.00 0.00 179.01 180.04 1p1j h HIS 311 N 0.91 0.62 0.00 4.33 2.76 -0.60 -3.17 115.15 120.00 1p1j h HIS 311 Ca 0.21 -0.14 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1p1j h HIS 311 Cb 0.29 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1p1j h HIS 311 CO 0.02 0.75 -0.25 0.93 -1.30 0.00 0.00 177.93 178.08 1p1j h GLU 312 N 0.30 0.00 -0.45 5.26 4.39 -0.86 -3.48 114.58 119.75 1p1j h GLU 312 Ca 0.07 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1p1j h GLU 312 Cb 0.56 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1p1j h GLU 312 CO 0.03 0.25 -0.08 0.41 -1.16 0.00 0.00 179.01 178.46 1p1j n GLY 313 N 1.14 0.25 3.77 -3.84 0.00 0.13 -5.02 105.19 101.62 1p1j n GLY 313 Ca 0.03 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1p1j n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1j s THR 314 N -2.16 4.97 0.29 2.61 2.01 -1.01 -4.94 115.64 117.41 1p1j s THR 314 Ca 0.00 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1p1j s THR 314 Cb 0.00 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.26 1p1j s THR 314 CO 0.00 0.59 1.24 -0.36 -0.69 0.00 0.00 174.62 175.40 1p1j s PHE 315 N -0.80 3.26 0.05 4.92 2.99 -1.26 -4.74 117.98 122.40 1p1j s PHE 315 Ca 0.13 1.48 0.01 0.00 0.00 0.00 0.00 56.93 58.54 1p1j s PHE 315 Cb -0.12 -3.53 -0.03 0.00 0.00 0.00 0.00 43.02 39.34 1p1j s PHE 315 CO 0.03 -1.42 -0.05 0.96 -0.00 0.00 0.00 175.22 174.74 1p1j s ILE 316 N -0.94 0.37 0.06 0.64 -4.36 -0.53 -1.60 121.20 114.84 1p1j s ILE 316 Ca 0.49 -1.43 -0.28 0.00 -0.26 0.00 0.00 60.65 59.16 1p1j s ILE 316 Cb -0.37 -1.02 0.09 0.00 1.25 0.00 0.00 42.46 42.42 1p1j s ILE 316 CO 0.47 -0.70 1.08 0.00 0.24 0.00 0.00 174.94 176.02 1p1j s ALA 317 N -2.62 -1.89 0.00 2.27 0.00 -0.71 -1.81 121.76 117.00 1p1j s ALA 317 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1p1j s ALA 317 Cb -0.01 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1p1j s ALA 317 CO -0.04 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1p1j n GLY 318 N -0.43 0.45 0.57 0.00 0.00 -1.26 -0.46 105.19 104.06 1p1j n GLY 318 Ca -0.07 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1p1j n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p1j n ASP 319 N 0.00 -0.76 -1.41 1.61 10.43 0.25 -3.45 116.55 123.22 1p1j n ASP 319 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1p1j n ASP 319 Cb 0.00 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 42.58 1p1j n ASP 319 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1p1j n ASP 320 N -0.09 -4.93 -4.74 -2.24 2.03 0.71 -2.41 116.55 104.87 1p1j n ASP 320 Ca 0.00 0.68 -0.42 0.00 0.52 0.00 0.00 54.79 55.57 1p1j n ASP 320 Cb 0.00 -2.65 -0.01 0.00 -0.72 0.00 0.00 41.12 37.74 1p1j n ASP 320 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1p1j n LEU 321 N 0.73 4.33 -4.32 -2.67 4.77 -0.96 0.53 117.00 119.42 1p1j n LEU 321 Ca 0.00 1.17 -0.46 0.00 -0.03 0.00 0.00 56.01 56.69 1p1j n LEU 321 Cb 0.00 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1p1j n LEU 321 CO 0.00 0.07 0.45 -0.75 -1.33 0.00 0.00 177.39 175.83 1p1j s LYS 322 N -0.98 3.62 -0.16 3.23 2.20 0.12 -4.51 119.74 123.25 1p1j s LYS 322 Ca 0.61 -2.55 0.08 0.00 -0.36 0.00 0.00 55.97 53.75 1p1j s LYS 322 Cb -0.51 -4.41 -0.15 0.00 -1.51 0.00 0.00 37.83 31.25 1p1j s LYS 322 CO 0.53 -1.28 -0.04 -1.13 -0.36 0.00 0.00 175.35 173.07 1p1j n SER 323 N 3.81 1.93 0.00 1.43 3.41 -1.26 -4.60 113.62 118.34 1p1j n SER 323 Ca 0.15 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1p1j n SER 323 Cb 0.46 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1p1j n SER 323 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p1j n GLY 324 N 2.33 0.78 0.28 5.00 0.00 -1.26 -4.78 105.19 107.54 1p1j n GLY 324 Ca -0.27 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.71 1p1j n GLY 324 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1p1j h GLN 325 N 0.00 0.62 0.00 1.61 4.15 -1.97 -0.72 115.11 118.81 1p1j h GLN 325 Ca 0.00 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 1p1j h GLN 325 Cb 0.00 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1p1j h GLN 325 CO 0.00 0.41 -0.83 1.15 -1.93 0.00 0.00 178.83 177.63 1p1j h THR 326 N 0.64 1.55 -0.14 2.39 2.02 -1.95 -1.76 112.91 115.67 1p1j h THR 326 Ca 0.38 -2.72 -0.02 0.00 0.77 0.00 0.00 66.41 64.82 1p1j h THR 326 Cb 0.42 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1p1j h THR 326 CO -0.28 0.78 0.02 0.50 0.37 0.00 0.00 175.52 176.91 1p1j h LYS 327 N 0.03 0.23 -0.75 6.66 3.64 -1.62 -0.96 116.57 123.80 1p1j h LYS 327 Ca -0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1p1j h LYS 327 Cb 1.45 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.21 1p1j h LYS 327 CO 0.11 0.41 0.38 1.25 -2.27 0.00 0.00 179.45 179.34 1p1j h LEU 328 N 0.01 0.95 -0.93 5.20 5.85 -1.15 -2.33 115.31 122.92 1p1j h LEU 328 Ca 0.04 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1p1j h LEU 328 Cb 0.29 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1p1j h LEU 328 CO 0.00 0.79 0.26 0.50 -0.34 0.00 0.00 178.44 179.65 1p1j h LYS 329 N 1.06 1.04 0.00 1.25 3.64 -1.03 0.22 116.57 122.75 1p1j h LYS 329 Ca 0.26 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1p1j h LYS 329 Cb 0.07 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1p1j h LYS 329 CO -0.04 0.86 0.00 -1.13 -2.27 0.00 0.00 179.45 176.87 1p1j n SER 330 N -4.29 0.00 -0.10 4.20 3.41 -0.39 -1.31 113.62 115.15 1p1j n SER 330 Ca 0.06 -0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.36 1p1j n SER 330 Cb 0.19 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 1p1j n SER 330 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1p1j n VAL 331 N -1.22 1.08 -0.04 -3.33 0.31 -0.50 -2.39 118.33 112.25 1p1j n VAL 331 Ca 0.09 -0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1p1j n VAL 331 Cb 0.12 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 1p1j n VAL 331 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1p1j h LEU 332 N -0.70 0.23 -0.91 7.52 3.38 -0.50 -1.74 115.31 122.58 1p1j h LEU 332 Ca -0.49 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 1p1j h LEU 332 Cb 1.43 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1p1j h LEU 332 CO -0.30 0.53 0.54 0.00 0.09 0.00 0.00 178.44 179.30 1p1j h ALA 333 N 0.70 1.17 -0.36 1.53 0.00 -1.43 -1.40 119.26 119.46 1p1j h ALA 333 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1p1j h ALA 333 Cb 0.43 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1p1j h ALA 333 CO 0.01 0.64 0.10 0.37 0.00 0.00 0.00 179.25 180.36 1p1j h GLN 334 N 1.26 0.57 -0.12 0.00 5.75 -1.72 -2.45 115.11 118.40 1p1j h GLN 334 Ca 0.33 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1p1j h GLN 334 Cb -0.03 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1p1j h GLN 334 CO -0.06 0.61 0.00 0.35 -2.65 0.00 0.00 178.83 177.08 1p1j h PHE 335 N 0.44 -0.00 -0.17 3.99 3.57 -0.90 0.19 116.94 124.06 1p1j h PHE 335 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1p1j h PHE 335 Cb 0.29 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1p1j h PHE 335 CO 0.01 -0.01 0.08 -0.07 -2.23 0.00 0.00 178.31 176.09 1p1j h LEU 336 N 0.05 0.11 -0.66 0.59 3.38 -1.19 -1.71 115.31 115.88 1p1j h LEU 336 Ca 0.06 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1p1j h LEU 336 Cb 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1p1j h LEU 336 CO -0.09 0.09 -0.18 0.58 0.09 0.00 0.00 178.44 178.92 1p1j h VAL 337 N 0.17 1.27 0.00 1.22 2.07 -1.33 -0.39 116.25 119.26 1p1j h VAL 337 Ca 0.07 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1p1j h VAL 337 Cb 0.02 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1p1j h VAL 337 CO -0.05 0.44 -0.11 0.44 0.02 0.00 0.00 177.57 178.31 1p1j h ASP 338 N 0.75 0.00 0.19 0.57 3.45 -0.76 -1.62 116.42 119.01 1p1j h ASP 338 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1p1j h ASP 338 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1p1j h ASP 338 CO 0.05 0.11 -0.13 0.00 -1.57 0.00 0.00 179.24 177.70 1p1j n ALA 339 N -2.34 2.83 -0.70 3.45 0.00 -0.66 -4.92 120.51 118.16 1p1j n ALA 339 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1p1j n ALA 339 Cb 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1p1j n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1j n GLY 340 N 1.26 0.61 3.88 0.00 0.00 -0.61 -5.05 105.19 105.28 1p1j n GLY 340 Ca 0.15 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1p1j n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p1j s ILE 341 N -2.00 5.30 -0.52 -0.61 1.01 -0.20 -5.01 121.20 119.17 1p1j s ILE 341 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 1p1j s ILE 341 Cb 0.00 -3.55 0.13 0.00 0.01 0.00 0.00 42.46 39.05 1p1j s ILE 341 CO 0.00 0.45 0.37 -0.75 0.00 0.00 0.00 174.94 175.02 1p1j s LYS 342 N -1.50 2.51 0.35 2.79 2.20 -1.10 -3.59 119.74 121.39 1p1j s LYS 342 Ca 0.24 -1.97 -0.28 0.00 -0.36 0.00 0.00 55.97 53.59 1p1j s LYS 342 Cb -0.13 -3.88 -0.11 0.00 -1.51 0.00 0.00 37.83 32.20 1p1j s LYS 342 CO 0.13 -1.18 1.41 -2.14 -0.36 0.00 0.00 175.35 173.21 1p1j s PRO 343 N 0.97 4.22 0.00 4.03 0.02 -1.26 -0.33 135.00 142.64 1p1j s PRO 343 Ca 0.09 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1p1j s PRO 343 Cb -0.23 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1p1j s PRO 343 CO -0.03 -0.38 0.00 1.33 -0.33 0.00 0.00 177.00 177.59 1p1j n VAL 344 N 0.76 0.00 -3.70 3.83 0.24 -0.04 -4.81 118.33 114.62 1p1j n VAL 344 Ca 0.01 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 1p1j n VAL 344 Cb 0.40 0.53 -0.13 0.00 -1.47 0.00 0.00 33.84 33.17 1p1j n VAL 344 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1p1j s SER 345 N -1.21 -0.03 -0.23 -1.34 0.15 -0.89 -1.21 113.70 108.93 1p1j s SER 345 Ca 0.00 0.60 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 1p1j s SER 345 Cb 0.00 0.59 0.07 0.00 -1.71 0.00 0.00 66.02 64.97 1p1j s SER 345 CO 0.00 -0.20 0.02 -0.63 1.20 0.00 0.00 173.24 173.63 1p1j s ILE 346 N 1.79 0.94 -0.22 6.45 1.01 0.23 -0.80 121.20 130.60 1p1j s ILE 346 Ca -0.05 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 1p1j s ILE 346 Cb -0.11 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1p1j s ILE 346 CO -0.09 -0.26 0.08 0.00 0.00 0.00 0.00 174.94 174.67 1p1j s ALA 347 N 1.65 3.32 -0.21 9.38 0.00 -0.70 -2.08 121.76 133.13 1p1j s ALA 347 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1p1j s ALA 347 Cb -0.18 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.95 1p1j s ALA 347 CO -0.10 -0.15 -0.07 -1.12 0.00 0.00 0.00 175.76 174.32 1p1j s SER 348 N 0.99 3.54 0.10 0.00 0.01 -0.23 -1.46 113.70 116.64 1p1j s SER 348 Ca 0.04 -1.00 0.06 0.00 1.31 0.00 0.00 55.95 56.36 1p1j s SER 348 Cb -0.14 -1.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 1p1j s SER 348 CO 0.03 -0.20 -0.03 -0.31 0.41 0.00 0.00 173.24 173.15 1p1j s TYR 349 N 1.43 2.91 -0.11 2.43 2.02 0.21 -0.95 117.35 125.29 1p1j s TYR 349 Ca -0.03 -0.07 -0.10 0.00 -0.37 0.00 0.00 57.07 56.50 1p1j s TYR 349 Cb -0.17 -1.50 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1p1j s TYR 349 CO -0.07 0.47 0.30 -0.80 -1.57 0.00 0.00 175.55 173.88 1p1j s ASN 350 N -2.31 -0.32 -0.01 2.29 0.01 0.55 -1.10 114.94 114.06 1p1j s ASN 350 Ca 0.25 0.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.01 1p1j s ASN 350 Cb -0.11 0.61 0.01 0.00 0.41 0.00 0.00 41.25 42.16 1p1j s ASN 350 CO 0.17 -0.11 0.00 -1.38 -1.51 0.00 0.00 177.10 174.27 1p1j s HIS 351 N 0.27 0.03 0.12 2.20 -3.43 -0.71 -0.20 115.29 113.56 1p1j s HIS 351 Ca -0.01 0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.15 1p1j s HIS 351 Cb -0.03 -0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.07 1p1j s HIS 351 CO -0.01 -0.02 0.31 -0.48 -2.00 0.00 0.00 174.74 172.55 1p1j s LEU 352 N 0.25 0.84 -0.14 5.38 2.34 -0.88 -1.03 118.68 125.45 1p1j s LEU 352 Ca -0.02 -0.53 0.14 0.00 0.06 0.00 0.00 54.13 53.79 1p1j s LEU 352 Cb -0.03 1.47 0.34 0.00 -0.56 0.00 0.00 46.19 47.41 1p1j s LEU 352 CO -0.01 -0.82 1.17 0.61 -1.06 0.00 0.00 176.35 176.24 1p1j n GLY 353 N -0.17 4.16 3.02 -3.48 0.00 0.52 -0.85 105.19 108.39 1p1j n GLY 353 Ca -0.14 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 1p1j n GLY 353 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p1j n ASN 354 N -0.93 1.47 0.25 1.61 0.23 -1.18 -4.39 115.26 112.33 1p1j n ASN 354 Ca 0.15 -2.11 0.12 0.00 -0.53 0.00 0.00 54.58 52.21 1p1j n ASN 354 Cb 0.73 -0.38 0.65 0.00 -2.08 0.00 0.00 39.78 38.70 1p1j n ASN 354 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1p1j h ASN 355 N -0.07 0.00 0.10 0.53 -1.24 -1.97 -0.23 115.58 112.70 1p1j h ASN 355 Ca -0.22 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.78 1p1j h ASN 355 Cb 0.96 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.01 1p1j h ASN 355 CO 0.29 0.15 -0.05 -0.78 -1.29 0.00 0.00 177.43 175.76 1p1j h ASP 356 N 0.00 -0.11 -0.70 1.15 -0.00 -1.98 0.52 116.42 115.29 1p1j h ASP 356 Ca -0.00 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.03 56.88 1p1j h ASP 356 Cb 0.47 0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 39.80 1p1j h ASP 356 CO 0.02 0.03 0.23 1.23 -0.00 0.00 0.00 179.24 180.75 1p1j h GLY 357 N -0.25 1.18 0.95 -0.78 0.00 -1.70 -0.19 103.07 102.28 1p1j h GLY 357 Ca -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.65 1p1j h GLY 357 CO 0.02 0.64 0.29 -1.82 0.00 0.00 0.00 176.54 175.67 1p1j h TYR 358 N 1.06 0.54 -0.50 5.60 3.20 -0.74 -1.46 116.97 124.67 1p1j h TYR 358 Ca 0.23 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 1p1j h TYR 358 Cb 0.28 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1p1j h TYR 358 CO 0.02 0.33 -0.13 -0.97 -1.64 0.00 0.00 178.16 175.77 1p1j h ASN 359 N 0.58 0.95 0.47 -2.11 -0.73 -0.60 -2.83 115.58 111.31 1p1j h ASN 359 Ca 0.18 -0.32 0.00 0.00 1.87 0.00 0.00 56.30 58.03 1p1j h ASN 359 Cb -0.03 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.30 1p1j h ASN 359 CO -0.06 1.08 0.00 0.18 -0.37 0.00 0.00 177.43 178.26 1p1j n LEU 360 N -4.14 0.00 0.15 0.34 4.77 -0.11 -2.69 117.00 115.32 1p1j n LEU 360 Ca 0.01 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1p1j n LEU 360 Cb 0.40 -0.39 0.51 0.00 -2.33 0.00 0.00 43.42 41.61 1p1j n LEU 360 CO 0.45 -0.16 0.88 0.77 -1.33 0.00 0.00 177.39 178.00 1p1j h SER 361 N 0.00 0.00 -3.36 -1.43 4.64 -1.02 -3.33 113.55 109.05 1p1j h SER 361 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1p1j h SER 361 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 1p1j h SER 361 CO 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 176.09 1p1j s ALA 362 N -3.35 3.38 0.26 5.18 0.00 -1.09 -4.97 121.76 121.17 1p1j s ALA 362 Ca 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1p1j s ALA 362 Cb 0.09 -3.00 0.56 0.00 0.00 0.00 0.00 23.12 20.78 1p1j s ALA 362 CO 0.43 -0.23 1.66 -1.00 0.00 0.00 0.00 175.76 176.61 1p1j h PRO 363 N 6.92 0.20 -0.42 0.00 0.13 -1.90 -0.44 132.00 136.48 1p1j h PRO 363 Ca -0.38 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1p1j h PRO 363 Cb 1.18 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1p1j h PRO 363 CO 0.77 0.13 0.01 0.87 -0.23 0.00 0.00 178.00 179.55 1p1j h LYS 364 N 0.20 0.68 -0.06 0.86 1.57 -1.94 -0.58 116.57 117.32 1p1j h LYS 364 Ca 0.47 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.93 1p1j h LYS 364 Cb 0.88 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.11 1p1j h LYS 364 CO -0.61 0.69 -0.58 1.96 -0.57 0.00 0.00 179.45 180.34 1p1j h GLN 365 N 0.65 0.49 -0.82 3.15 7.50 -1.65 -3.24 115.11 121.20 1p1j h GLN 365 Ca 0.13 -0.45 0.07 0.00 0.50 0.00 0.00 58.65 58.90 1p1j h GLN 365 Cb 0.39 0.11 -0.06 0.00 0.05 0.00 0.00 27.48 27.97 1p1j h GLN 365 CO 0.01 1.09 0.50 0.35 -1.50 0.00 0.00 178.83 179.28 1p1j h PHE 366 N 0.05 0.91 -0.82 2.96 3.57 -0.90 -2.52 116.94 120.19 1p1j h PHE 366 Ca -0.06 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.63 1p1j h PHE 366 Cb 1.25 -0.29 -0.10 0.00 2.79 0.00 0.00 35.95 39.60 1p1j h PHE 366 CO 0.13 0.44 0.36 -0.09 -2.23 0.00 0.00 178.31 176.92 1p1j h ARG 367 N 0.89 0.47 -0.56 1.11 9.65 -1.12 0.79 114.38 125.61 1p1j h ARG 367 Ca 0.37 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.25 1p1j h ARG 367 Cb 0.21 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 1p1j h ARG 367 CO -0.19 0.31 0.33 0.77 2.80 0.00 0.00 179.97 184.00 1p1j h SER 368 N 0.49 0.53 0.19 -3.80 0.02 -1.53 -2.34 113.55 107.11 1p1j h SER 368 Ca 0.47 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.30 1p1j h SER 368 Cb 0.74 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1p1j h SER 368 CO -0.42 0.36 -0.46 0.50 -1.14 0.00 0.00 176.83 175.67 1p1j h LYS 369 N 0.65 0.33 -0.76 3.45 1.63 -1.12 -3.04 116.57 117.70 1p1j h LYS 369 Ca 0.23 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1p1j h LYS 369 Cb 0.05 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 1p1j h LYS 369 CO -0.11 0.72 0.46 1.49 -3.45 0.00 0.00 179.45 178.56 1p1j h GLU 370 N 0.27 1.04 -0.18 1.90 4.81 -0.40 -2.33 114.58 119.68 1p1j h GLU 370 Ca 0.02 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1p1j h GLU 370 Cb 0.91 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1p1j h GLU 370 CO 0.08 0.74 -0.00 0.82 -0.73 0.00 0.00 179.01 179.91 1p1j h ILE 371 N 1.05 1.26 -0.61 2.32 2.04 -1.38 -1.92 117.51 120.27 1p1j h ILE 371 Ca 0.27 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1p1j h ILE 371 Cb -0.03 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1p1j h ILE 371 CO -0.05 0.26 0.26 0.77 0.00 0.00 0.00 178.15 179.40 1p1j h SER 372 N 0.07 0.83 0.34 1.72 4.64 -1.43 -1.88 113.55 117.84 1p1j h SER 372 Ca 0.05 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 1p1j h SER 372 Cb 0.40 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1p1j h SER 372 CO 0.01 0.76 -0.60 0.11 -0.87 0.00 0.00 176.83 176.24 1p1j h LYS 373 N 0.85 0.26 0.01 4.77 1.57 -1.45 -3.27 116.57 119.31 1p1j h LYS 373 Ca 0.21 -0.18 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 1p1j h LYS 373 Cb 0.17 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1p1j h LYS 373 CO -0.02 0.78 -0.94 0.77 -0.57 0.00 0.00 179.45 179.47 1p1j h SER 374 N 0.19 0.45 0.87 0.86 0.02 -1.21 -3.33 113.55 111.41 1p1j h SER 374 Ca -0.01 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1p1j h SER 374 Cb 1.11 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1p1j h SER 374 CO 0.09 1.17 0.00 0.77 -1.14 0.00 0.00 176.83 177.73 1p1j h SER 375 N 0.19 0.00 0.00 3.07 4.64 -1.39 -3.33 113.55 116.73 1p1j h SER 375 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1p1j h SER 375 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1p1j h SER 375 CO 0.16 0.00 0.14 1.62 -0.87 0.00 0.00 176.83 177.87 1p1j h VAL 376 N 0.00 0.00 -0.00 0.95 3.04 -1.67 -2.38 116.25 116.18 1p1j h VAL 376 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1p1j h VAL 376 Cb 0.44 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1p1j h VAL 376 CO 0.00 0.00 -0.69 2.30 -1.01 0.00 0.00 177.57 178.17 1p1j n ILE 377 N -2.78 0.00 -0.18 3.17 -5.35 -1.25 -4.66 119.36 108.30 1p1j n ILE 377 Ca -0.02 -0.16 -0.01 0.00 -0.27 0.00 0.00 62.75 62.29 1p1j n ILE 377 Cb 0.19 1.05 0.07 0.00 -1.74 0.00 0.00 39.64 39.21 1p1j n ILE 377 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1p1j h ASP 378 N 0.45 -0.32 -0.06 7.28 3.32 -1.67 -1.53 116.42 123.89 1p1j h ASP 378 Ca 0.00 0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1p1j h ASP 378 Cb 0.44 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1p1j h ASP 378 CO 0.00 -0.12 -0.25 -2.24 -1.72 0.00 0.00 179.24 174.91 1p1j h ASP 379 N 0.08 0.49 -0.53 6.45 2.03 -1.83 -2.26 116.42 120.86 1p1j h ASP 379 Ca 0.28 -0.17 -0.03 0.00 -0.73 0.00 0.00 57.03 56.39 1p1j h ASP 379 Cb 0.44 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.78 1p1j h ASP 379 CO -0.50 0.74 0.23 0.40 -1.03 0.00 0.00 179.24 179.08 1p1j h ILE 380 N 0.43 1.21 -0.54 4.15 2.04 -1.60 -1.95 117.51 121.25 1p1j h ILE 380 Ca 0.06 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1p1j h ILE 380 Cb 0.67 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1p1j h ILE 380 CO 0.05 0.24 -0.04 0.40 0.00 0.00 0.00 178.15 178.80 1p1j h ILE 381 N 0.71 1.27 0.00 -0.67 1.08 -1.17 -2.86 117.51 115.88 1p1j h ILE 381 Ca 0.18 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1p1j h ILE 381 Cb 0.17 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1p1j h ILE 381 CO -0.02 0.42 0.00 0.00 -0.69 0.00 0.00 178.15 177.86 1p1j h ALA 382 N 0.94 1.00 0.00 1.87 0.00 -1.17 -3.02 119.26 118.88 1p1j h ALA 382 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1p1j h ALA 382 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1p1j h ALA 382 CO 0.04 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1p1j n SER 383 N -2.57 0.31 -3.73 0.00 3.41 -0.75 -4.62 113.62 105.67 1p1j n SER 383 Ca 0.01 0.53 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 1p1j n SER 383 Cb 0.25 -0.62 -0.15 0.00 -0.26 0.00 0.00 64.21 63.44 1p1j n SER 383 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1p1j s ASN 384 N -3.59 3.98 0.00 4.04 3.84 -1.14 -4.96 114.94 117.11 1p1j s ASN 384 Ca 0.12 -1.77 0.20 0.00 0.21 0.00 0.00 52.86 51.62 1p1j s ASN 384 Cb 0.16 -0.88 0.75 0.00 -0.55 0.00 0.00 41.25 40.72 1p1j s ASN 384 CO 0.53 -0.40 1.54 -0.90 -2.79 0.00 0.00 177.10 175.08 1p1j n ASP 385 N 4.68 1.54 0.10 -4.21 3.85 -1.26 -1.50 116.55 119.76 1p1j n ASP 385 Ca -0.00 -1.70 -0.23 0.00 -0.71 0.00 0.00 54.79 52.14 1p1j n ASP 385 Cb 0.41 -0.10 -0.15 0.00 -1.35 0.00 0.00 41.12 39.92 1p1j n ASP 385 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1p1j h ILE 386 N 2.03 1.38 0.09 2.12 2.04 -1.97 -3.38 117.51 119.83 1p1j h ILE 386 Ca 0.00 -2.62 -0.27 0.00 1.00 0.00 0.00 64.86 62.96 1p1j h ILE 386 Cb 0.45 3.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.63 1p1j h ILE 386 CO 0.00 0.77 -1.43 -0.07 0.00 0.00 0.00 178.15 177.42 1p1j h LEU 387 N -0.09 0.31 -8.17 1.44 3.38 -1.95 -3.45 115.31 106.78 1p1j h LEU 387 Ca -0.21 -0.82 -0.70 0.00 0.09 0.00 0.00 57.88 56.25 1p1j h LEU 387 Cb 1.93 -0.10 -0.29 0.00 0.09 0.00 0.00 40.66 42.29 1p1j h LEU 387 CO 0.22 1.61 -0.58 -0.31 0.09 0.00 0.00 178.44 179.47 1p1j s TYR 388 N -2.46 3.28 0.35 1.13 1.51 -0.56 -4.72 117.35 115.88 1p1j s TYR 388 Ca -0.22 -1.48 -0.14 0.00 -1.01 0.00 0.00 57.07 54.22 1p1j s TYR 388 Cb 0.05 -2.41 0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1p1j s TYR 388 CO 0.74 -0.76 0.70 0.54 -1.11 0.00 0.00 175.55 175.66 1p1j s ASN 389 N 1.52 0.13 0.29 2.29 2.20 -1.12 -4.08 114.94 116.17 1p1j s ASN 389 Ca -0.01 -1.12 -0.02 0.00 -0.94 0.00 0.00 52.86 50.78 1p1j s ASN 389 Cb -0.20 0.78 0.43 0.00 -2.00 0.00 0.00 41.25 40.26 1p1j s ASN 389 CO 0.02 -1.54 1.91 0.44 -2.94 0.00 0.00 177.10 175.00 1p1j h ASP 390 N 2.03 0.89 -0.13 3.54 3.45 -1.93 0.30 116.42 124.58 1p1j h ASP 390 Ca -0.29 -0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.06 1p1j h ASP 390 Cb 1.25 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1p1j h ASP 390 CO 0.37 0.72 -0.06 0.11 -1.57 0.00 0.00 179.24 178.81 1p1j h LYS 391 N 1.00 0.27 -0.00 3.56 1.57 -1.98 -3.31 116.57 117.68 1p1j h LYS 391 Ca 0.25 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1p1j h LYS 391 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1p1j h LYS 391 CO -0.04 0.61 -0.72 1.28 -0.57 0.00 0.00 179.45 180.01 1p1j n LEU 392 N -4.68 0.73 0.00 2.94 4.77 -1.20 -5.06 117.00 114.50 1p1j n LEU 392 Ca -0.06 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1p1j n LEU 392 Cb 0.29 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1p1j n LEU 392 CO 0.37 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1p1j n GLY 393 N 1.50 2.12 0.23 -0.72 0.00 0.10 -4.89 105.19 103.53 1p1j n GLY 393 Ca 0.05 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.68 1p1j n GLY 393 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1p1j n LYS 394 N 2.24 1.41 -4.42 1.61 2.85 -1.09 -2.78 118.16 117.97 1p1j n LYS 394 Ca 0.00 -2.76 -0.30 0.00 -1.05 0.00 0.00 58.31 54.21 1p1j n LYS 394 Cb 0.00 -1.54 -0.12 0.00 -0.65 0.00 0.00 35.03 32.72 1p1j n LYS 394 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1p1j s LYS 395 N -2.96 1.92 -0.21 -1.58 2.20 -1.26 -4.86 119.74 112.99 1p1j s LYS 395 Ca 0.34 -1.09 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 1p1j s LYS 395 Cb 0.30 -2.16 0.04 0.00 -1.51 0.00 0.00 37.83 34.51 1p1j s LYS 395 CO 0.01 0.51 -0.11 0.08 -0.36 0.00 0.00 175.35 175.47 1p1j s VAL 396 N -1.07 1.77 0.22 4.02 1.01 -1.26 -4.86 120.40 120.23 1p1j s VAL 396 Ca 0.17 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 1p1j s VAL 396 Cb -0.11 -1.83 -0.11 0.00 0.00 0.00 0.00 36.38 34.34 1p1j s VAL 396 CO 0.09 0.16 1.55 -1.81 0.00 0.00 0.00 175.10 175.09 1p1j s ASP 397 N 1.33 6.54 -0.08 3.32 -0.00 -0.35 -4.89 116.67 122.54 1p1j s ASP 397 Ca -0.02 2.73 -0.03 0.00 -0.00 0.00 0.00 52.55 55.23 1p1j s ASP 397 Cb -0.17 -2.61 0.05 0.00 -0.00 0.00 0.00 42.92 40.19 1p1j s ASP 397 CO -0.08 -0.83 0.16 -2.28 -0.00 0.00 0.00 175.17 172.14 1p1j s HIS 398 N 0.57 -0.18 0.00 4.23 2.46 -1.26 -0.60 115.29 120.51 1p1j s HIS 398 Ca 0.66 0.61 0.06 0.00 0.47 0.00 0.00 55.06 56.86 1p1j s HIS 398 Cb -0.45 -0.24 -0.02 0.00 -0.13 0.00 0.00 32.58 31.75 1p1j s HIS 398 CO 0.38 -0.26 -0.19 0.00 -2.47 0.00 0.00 174.74 172.20 1p1j s ILE 400 N -0.56 1.82 -0.02 0.00 -1.09 -1.26 -1.07 121.20 119.02 1p1j s ILE 400 Ca 0.07 -0.88 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1p1j s ILE 400 Cb -0.08 -1.59 0.01 0.00 -1.58 0.00 0.00 42.46 39.22 1p1j s ILE 400 CO 0.00 0.51 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.47 1p1j s VAL 401 N 0.45 0.55 -0.09 2.92 1.01 -0.13 -5.01 120.40 120.11 1p1j s VAL 401 Ca -0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1p1j s VAL 401 Cb -0.17 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1p1j s VAL 401 CO 0.07 0.18 0.01 -0.63 0.00 0.00 0.00 175.10 174.74 1p1j s ILE 402 N 0.24 0.35 0.04 2.22 1.01 -1.26 -0.33 121.20 123.47 1p1j s ILE 402 Ca -0.03 0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.75 1p1j s ILE 402 Cb -0.07 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 1p1j s ILE 402 CO -0.00 0.18 -0.25 -0.54 0.00 0.00 0.00 174.94 174.32 1p1j s LYS 403 N 1.97 1.87 -0.29 2.79 -0.14 0.71 -4.88 119.74 121.78 1p1j s LYS 403 Ca 0.04 -1.07 -0.23 0.00 -1.36 0.00 0.00 55.97 53.35 1p1j s LYS 403 Cb -0.13 -2.01 -0.00 0.00 -1.68 0.00 0.00 37.83 34.00 1p1j s LYS 403 CO -0.06 0.52 0.75 -0.47 -0.76 0.00 0.00 175.35 175.34 1p1j s TYR 404 N -0.80 3.24 -0.36 3.18 5.04 -1.26 -2.06 117.35 124.32 1p1j s TYR 404 Ca 0.12 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 1p1j s TYR 404 Cb -0.10 -3.10 0.12 0.00 0.35 0.00 0.00 41.96 39.23 1p1j s TYR 404 CO 0.02 -0.48 0.17 -1.64 -1.34 0.00 0.00 175.55 172.28 1p1j s MET 405 N 2.82 0.84 0.29 4.97 -1.94 -0.03 -4.91 119.30 121.34 1p1j s MET 405 Ca 0.31 -1.42 0.04 0.00 -1.71 0.00 0.00 55.69 52.91 1p1j s MET 405 Cb -0.15 -1.90 0.76 0.00 2.01 0.00 0.00 34.83 35.55 1p1j s MET 405 CO 0.11 -1.10 1.66 -0.22 -0.01 0.00 0.00 175.02 175.46 1p1j h LYS 406 N 7.40 0.26 -0.84 2.03 3.64 -1.83 -2.96 116.57 124.27 1p1j h LYS 406 Ca -0.05 -0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.53 1p1j h LYS 406 Cb 0.97 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 1p1j h LYS 406 CO 0.43 0.17 0.58 -1.35 -2.27 0.00 0.00 179.45 177.01 1p1j h PRO 407 N 0.27 0.17 -0.00 1.90 0.11 -1.93 -1.71 132.00 130.80 1p1j h PRO 407 Ca 0.57 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1p1j h PRO 407 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1p1j h PRO 407 CO -0.62 0.11 -0.02 1.33 -0.21 0.00 0.00 178.00 178.60 1p1j n VAL 408 N -4.39 0.00 -2.03 3.15 0.24 -1.13 -4.98 118.33 109.19 1p1j n VAL 408 Ca 0.17 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1p1j n VAL 408 Cb 0.80 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1p1j n VAL 408 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p1j n GLY 409 N 1.47 2.93 0.00 7.63 0.00 -0.64 -1.99 105.19 114.59 1p1j n GLY 409 Ca 0.08 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1p1j n GLY 409 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p1j n ASP 410 N 1.96 0.00 -4.41 1.61 -0.08 -1.26 -0.36 116.55 114.01 1p1j n ASP 410 Ca 0.00 0.35 -0.44 0.00 -1.51 0.00 0.00 54.79 53.19 1p1j n ASP 410 Cb 0.00 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1p1j n ASP 410 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1p1j n SER 411 N -1.44 5.13 -4.73 1.67 7.64 -0.84 -2.12 113.62 118.92 1p1j n SER 411 Ca 0.07 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.56 1p1j n SER 411 Cb 0.26 -1.60 -0.01 0.00 -1.01 0.00 0.00 64.21 61.85 1p1j n SER 411 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1p1j n LYS 412 N 5.97 2.49 -3.78 1.43 0.00 0.44 -4.70 118.16 120.02 1p1j n LYS 412 Ca 0.40 0.88 -0.36 0.00 0.00 0.00 0.00 58.31 59.22 1p1j n LYS 412 Cb 0.43 -2.59 -0.13 0.00 0.00 0.00 0.00 35.03 32.74 1p1j n LYS 412 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1p1j s VAL 413 N -0.56 4.13 -0.18 3.15 1.01 -0.19 0.18 120.40 127.94 1p1j s VAL 413 Ca 0.60 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1p1j s VAL 413 Cb -0.53 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1p1j s VAL 413 CO 0.56 0.35 -0.02 0.00 0.00 0.00 0.00 175.10 175.99 1p1j s ALA 414 N 1.59 3.00 -0.13 5.51 0.00 -0.28 -1.75 121.76 129.69 1p1j s ALA 414 Ca 0.06 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1p1j s ALA 414 Cb -0.15 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.33 1p1j s ALA 414 CO 0.02 0.01 -0.13 -1.64 0.00 0.00 0.00 175.76 174.02 1p1j s MET 415 N 0.73 2.15 0.12 0.00 -1.94 -0.26 -0.13 119.30 119.97 1p1j s MET 415 Ca -0.01 -0.51 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1p1j s MET 415 Cb -0.14 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.70 1p1j s MET 415 CO 0.02 -0.19 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.21 1p1j s ASP 416 N 1.37 1.82 -0.05 3.03 1.11 -0.36 -0.62 116.67 122.97 1p1j s ASP 416 Ca 0.01 -0.86 -0.01 0.00 0.18 0.00 0.00 52.55 51.87 1p1j s ASP 416 Cb -0.13 -0.04 0.03 0.00 1.07 0.00 0.00 42.92 43.85 1p1j s ASP 416 CO -0.08 -0.22 0.02 -0.70 1.18 0.00 0.00 175.17 175.38 1p1j s GLU 417 N -2.97 0.33 -0.35 8.23 2.12 -0.54 -0.30 118.70 125.23 1p1j s GLU 417 Ca 0.10 0.19 -0.08 0.00 0.36 0.00 0.00 54.97 55.54 1p1j s GLU 417 Cb -0.03 -0.73 0.03 0.00 0.26 0.00 0.00 34.13 33.67 1p1j s GLU 417 CO 0.02 -0.28 0.13 0.71 -0.54 0.00 0.00 175.26 175.30 1p1j s TYR 418 N 1.85 3.24 -0.24 5.30 1.51 0.41 -1.71 117.35 127.71 1p1j s TYR 418 Ca 0.02 -1.26 -0.05 0.00 -1.01 0.00 0.00 57.07 54.77 1p1j s TYR 418 Cb -0.12 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 1p1j s TYR 418 CO -0.04 -0.69 0.01 -0.47 -1.11 0.00 0.00 175.55 173.25 1p1j s TYR 419 N 1.45 3.03 0.17 2.71 5.04 0.02 -1.10 117.35 128.67 1p1j s TYR 419 Ca -0.00 -0.73 0.08 0.00 -2.44 0.00 0.00 57.07 53.98 1p1j s TYR 419 Cb -0.19 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.90 1p1j s TYR 419 CO 0.04 -0.47 -0.16 -1.12 -1.34 0.00 0.00 175.55 172.50 1p1j s SER 420 N 1.54 2.52 -0.05 4.32 0.01 0.08 -0.86 113.70 121.26 1p1j s SER 420 Ca 0.06 -0.92 -0.12 0.00 1.31 0.00 0.00 55.95 56.28 1p1j s SER 420 Cb -0.15 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 1p1j s SER 420 CO -0.00 -0.11 0.31 -1.61 0.41 0.00 0.00 173.24 172.24 1p1j s GLU 421 N -3.12 3.79 0.54 12.44 2.02 0.55 -0.80 118.70 134.11 1p1j s GLU 421 Ca 0.17 0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.40 1p1j s GLU 421 Cb -0.04 -3.23 0.02 0.00 0.10 0.00 0.00 34.13 30.99 1p1j s GLU 421 CO 0.06 0.68 0.20 1.28 0.02 0.00 0.00 175.26 177.50 1p1j n LEU 422 N 2.01 0.00 -4.74 1.80 4.77 -0.05 -2.71 117.00 118.08 1p1j n LEU 422 Ca -0.16 -3.13 -0.32 0.00 -0.03 0.00 0.00 56.01 52.37 1p1j n LEU 422 Cb 0.53 0.18 0.09 0.00 -2.33 0.00 0.00 43.42 41.89 1p1j n LEU 422 CO 0.35 -0.53 0.73 0.00 -1.33 0.00 0.00 177.39 176.62 1p1j s MET 423 N -4.09 2.20 -1.56 3.23 0.23 -1.26 -3.60 119.30 114.45 1p1j s MET 423 Ca 0.15 1.43 -0.13 0.00 -1.03 0.00 0.00 55.69 56.11 1p1j s MET 423 Cb -0.01 -1.87 0.10 0.00 -1.53 0.00 0.00 34.83 31.51 1p1j s MET 423 CO 0.09 -1.72 0.86 1.28 -2.03 0.00 0.00 175.02 173.51 1p1j n LEU 424 N -3.10 -2.30 0.00 0.18 4.77 -1.26 -1.90 117.00 113.38 1p1j n LEU 424 Ca 0.11 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1p1j n LEU 424 Cb 0.52 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1p1j n LEU 424 CO 0.50 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1p1j n GLY 425 N -1.62 0.77 3.92 -0.72 0.00 -1.25 -5.04 105.19 101.24 1p1j n GLY 425 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1p1j n GLY 425 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1j s GLY 426 N -1.93 1.66 0.13 -0.02 0.00 -0.80 -4.91 107.32 101.45 1p1j s GLY 426 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 1p1j s GLY 426 CO 0.00 -0.32 0.20 0.30 0.00 0.00 0.00 173.10 173.28 1p1j s HIS 427 N -3.62 0.39 -0.04 1.90 3.76 -1.26 -0.87 115.29 115.55 1p1j s HIS 427 Ca 0.65 -0.79 0.03 0.00 -0.15 0.00 0.00 55.06 54.80 1p1j s HIS 427 Cb -0.09 -0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.47 1p1j s HIS 427 CO 0.49 -0.61 -0.12 1.21 -0.85 0.00 0.00 174.74 174.86 1p1j s ASN 428 N -2.94 1.65 -0.17 1.40 3.84 0.02 -4.81 114.94 113.93 1p1j s ASN 428 Ca 0.13 -0.27 -0.01 0.00 0.21 0.00 0.00 52.86 52.93 1p1j s ASN 428 Cb 0.05 -0.57 0.04 0.00 -0.55 0.00 0.00 41.25 40.22 1p1j s ASN 428 CO -0.04 0.07 -0.05 -0.60 -2.79 0.00 0.00 177.10 173.70 1p1j s ARG 429 N 0.34 1.41 -0.27 0.43 3.52 -1.26 -0.74 118.95 122.37 1p1j s ARG 429 Ca -0.08 -0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1p1j s ARG 429 Cb -0.12 -2.06 0.01 0.00 -1.56 0.00 0.00 34.95 31.23 1p1j s ARG 429 CO 0.02 -0.45 0.02 0.42 -0.81 0.00 0.00 175.30 174.50 1p1j s ILE 430 N 1.63 3.55 -0.12 4.11 1.01 -0.26 -4.97 121.20 126.14 1p1j s ILE 430 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1p1j s ILE 430 Cb -0.16 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1p1j s ILE 430 CO -0.08 0.14 -0.01 -0.44 0.00 0.00 0.00 174.94 174.56 1p1j s SER 431 N 1.44 5.11 0.01 3.58 0.01 -1.26 -0.44 113.70 122.15 1p1j s SER 431 Ca 0.02 0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.34 1p1j s SER 431 Cb -0.17 -1.63 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 1p1j s SER 431 CO -0.00 0.28 -0.10 -0.63 0.41 0.00 0.00 173.24 173.20 1p1j s ILE 432 N -0.28 0.76 -0.18 1.44 1.01 0.58 -4.99 121.20 119.54 1p1j s ILE 432 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1p1j s ILE 432 Cb -0.12 -0.68 0.04 0.00 0.01 0.00 0.00 42.46 41.71 1p1j s ILE 432 CO 0.02 0.06 -0.09 -2.28 0.00 0.00 0.00 174.94 172.64 1p1j s HIS 433 N -0.54 2.11 -0.23 3.97 5.65 -1.26 -1.23 115.29 123.76 1p1j s HIS 433 Ca 0.01 -1.33 0.01 0.00 0.25 0.00 0.00 55.06 54.00 1p1j s HIS 433 Cb -0.05 -1.51 0.06 0.00 -1.18 0.00 0.00 32.58 29.89 1p1j s HIS 433 CO 0.00 -0.68 -0.07 1.21 -0.65 0.00 0.00 174.74 174.55 1p1j s ASN 434 N 1.50 3.77 -0.45 9.88 3.84 0.82 -4.99 114.94 129.30 1p1j s ASN 434 Ca 0.01 -1.11 -0.23 0.00 0.21 0.00 0.00 52.86 51.73 1p1j s ASN 434 Cb -0.15 -1.22 0.03 0.00 -0.55 0.00 0.00 41.25 39.35 1p1j s ASN 434 CO -0.08 -0.21 0.80 -0.69 -2.79 0.00 0.00 177.10 174.13 1p1j s VAL 435 N 1.37 4.62 -0.40 -5.21 1.01 -1.26 -1.13 120.40 119.40 1p1j s VAL 435 Ca -0.05 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1p1j s VAL 435 Cb -0.18 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.90 1p1j s VAL 435 CO -0.07 -0.73 0.26 0.00 0.00 0.00 0.00 175.10 174.56 1p1j s GLU 437 N 1.56 3.62 0.25 0.00 2.02 -1.26 -0.42 118.70 124.47 1p1j s GLU 437 Ca 0.03 -1.38 -0.11 0.00 0.02 0.00 0.00 54.97 53.53 1p1j s GLU 437 Cb -0.21 -5.40 0.35 0.00 0.10 0.00 0.00 34.13 28.98 1p1j s GLU 437 CO 0.06 -2.38 1.58 -0.44 0.02 0.00 0.00 175.26 174.10 1p1j h ASP 438 N 9.11 -0.92 0.25 -0.19 5.19 -1.77 -1.41 116.42 126.68 1p1j h ASP 438 Ca 0.28 0.27 -0.12 0.00 -0.62 0.00 0.00 57.03 56.84 1p1j h ASP 438 Cb 0.96 0.57 -0.01 0.00 0.18 0.00 0.00 39.33 41.03 1p1j h ASP 438 CO 1.42 -0.29 -0.45 0.28 -3.12 0.00 0.00 179.24 177.08 1p1j h SER 439 N -0.01 0.26 1.11 6.45 0.02 -1.89 0.40 113.55 119.89 1p1j h SER 439 Ca 0.40 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 61.15 1p1j h SER 439 Cb 0.63 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1p1j h SER 439 CO -0.90 0.68 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.01 1p1j h LEU 440 N 0.20 0.00 0.21 5.07 3.38 -1.71 -0.50 115.31 121.97 1p1j h LEU 440 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1p1j h LEU 440 Cb 0.88 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.65 1p1j h LEU 440 CO 0.07 0.39 -1.39 -0.07 0.09 0.00 0.00 178.44 177.53 1p1j h LEU 441 N 0.00 0.70 -0.09 1.67 3.38 -1.07 -3.39 115.31 116.51 1p1j h LEU 441 Ca -0.00 -0.93 -0.20 0.00 0.09 0.00 0.00 57.88 56.84 1p1j h LEU 441 Cb 1.05 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1p1j h LEU 441 CO 0.05 1.66 -0.72 0.00 0.09 0.00 0.00 178.44 179.52 1p1j h ALA 442 N 0.11 0.21 -0.42 1.53 0.00 -0.87 -3.34 119.26 116.48 1p1j h ALA 442 Ca -0.25 -0.58 0.08 0.00 0.00 0.00 0.00 54.91 54.16 1p1j h ALA 442 Cb 2.02 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 1p1j h ALA 442 CO 0.22 0.54 -0.06 1.15 0.00 0.00 0.00 179.25 181.10 1p1j h THR 443 N 0.30 0.61 0.00 0.00 2.02 -1.27 -0.65 112.91 113.92 1p1j h THR 443 Ca -0.06 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1p1j h THR 443 Cb 1.37 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1p1j h THR 443 CO 0.15 0.01 -0.10 1.55 0.37 0.00 0.00 175.52 177.49 1p1j h PRO 444 N 0.04 0.00 -0.00 6.66 0.13 -1.75 -1.03 132.00 136.05 1p1j h PRO 444 Ca 0.21 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.11 1p1j h PRO 444 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1p1j h PRO 444 CO -0.40 0.10 -0.94 -0.07 -0.23 0.00 0.00 178.00 176.46 1p1j h LEU 445 N 0.00 0.55 -0.46 1.56 3.38 -1.31 -0.41 115.31 118.61 1p1j h LEU 445 Ca -0.00 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1p1j h LEU 445 Cb 0.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1p1j h LEU 445 CO 0.01 1.24 0.18 0.40 0.09 0.00 0.00 178.44 180.36 1p1j h ILE 446 N 0.24 1.21 -0.34 1.22 2.04 -0.42 -0.01 117.51 121.45 1p1j h ILE 446 Ca -0.08 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1p1j h ILE 446 Cb 1.58 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1p1j h ILE 446 CO 0.16 0.24 0.15 0.40 0.00 0.00 0.00 178.15 179.10 1p1j h ILE 447 N 0.61 0.95 -0.45 -0.67 2.04 -1.08 -1.77 117.51 117.13 1p1j h ILE 447 Ca 0.15 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1p1j h ILE 447 Cb 0.20 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1p1j h ILE 447 CO -0.01 0.06 0.23 0.44 0.00 0.00 0.00 178.15 178.87 1p1j h ASP 448 N 0.31 0.35 -0.88 1.72 3.32 -0.57 -0.34 116.42 120.33 1p1j h ASP 448 Ca 0.15 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1p1j h ASP 448 Cb 0.09 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1p1j h ASP 448 CO -0.13 0.25 0.56 -0.07 -1.72 0.00 0.00 179.24 178.13 1p1j h LEU 449 N 0.47 0.91 -0.21 1.55 3.38 -0.66 0.67 115.31 121.43 1p1j h LEU 449 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1p1j h LEU 449 Cb 0.08 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1p1j h LEU 449 CO -0.13 0.61 -0.16 -0.07 0.09 0.00 0.00 178.44 178.78 1p1j h LEU 450 N 1.06 0.50 -0.09 1.67 3.38 -0.76 -0.61 115.31 120.46 1p1j h LEU 450 Ca 0.37 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1p1j h LEU 450 Cb 0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1p1j h LEU 450 CO -0.14 0.84 0.05 0.58 0.09 0.00 0.00 178.44 179.86 1p1j h VAL 451 N 0.16 1.07 -0.28 1.22 2.07 -0.76 -1.64 116.25 118.08 1p1j h VAL 451 Ca 0.04 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1p1j h VAL 451 Cb 0.68 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1p1j h VAL 451 CO 0.04 0.06 -0.28 0.24 0.02 0.00 0.00 177.57 177.65 1p1j h MET 452 N 0.06 0.57 -0.42 1.57 2.86 -0.89 -1.80 114.93 116.89 1p1j h MET 452 Ca 0.03 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1p1j h MET 452 Cb 0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1p1j h MET 452 CO -0.01 0.79 0.07 1.15 1.06 0.00 0.00 176.91 179.98 1p1j h THR 453 N 0.50 1.24 -0.57 2.22 2.02 -0.98 -1.59 112.91 115.74 1p1j h THR 453 Ca 0.07 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1p1j h THR 453 Cb 0.74 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1p1j h THR 453 CO 0.06 0.30 0.32 -0.08 0.37 0.00 0.00 175.52 176.49 1p1j h GLU 454 N 0.55 0.79 -0.48 6.66 4.22 -1.16 -2.21 114.58 122.96 1p1j h GLU 454 Ca 0.13 -0.09 0.05 0.00 0.08 0.00 0.00 59.36 59.53 1p1j h GLU 454 Cb 0.37 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1p1j h GLU 454 CO 0.01 0.60 0.20 0.35 -2.18 0.00 0.00 179.01 177.99 1p1j h PHE 455 N 0.77 0.37 0.00 0.92 3.57 -1.07 -1.58 116.94 119.92 1p1j h PHE 455 Ca 0.20 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1p1j h PHE 455 Cb 0.03 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1p1j h PHE 455 CO -0.01 0.16 -0.09 0.00 -2.23 0.00 0.00 178.31 176.13 1p1j n THR 457 N -3.90 0.79 0.18 0.00 -2.24 -0.60 -2.37 114.28 106.13 1p1j n THR 457 Ca -0.02 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1p1j n THR 457 Cb 0.18 -1.02 0.22 0.00 -2.10 0.00 0.00 70.33 67.61 1p1j n THR 457 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1p1j n ARG 458 N -2.10 2.48 -4.34 -0.78 1.74 -0.56 -4.93 116.66 108.16 1p1j n ARG 458 Ca 0.03 -2.29 -0.34 0.00 -0.77 0.00 0.00 57.85 54.48 1p1j n ARG 458 Cb 0.25 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.09 1p1j n ARG 458 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p1j s VAL 459 N -1.36 4.19 0.22 1.55 1.01 -1.00 -1.03 120.40 123.98 1p1j s VAL 459 Ca 0.38 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1p1j s VAL 459 Cb 0.22 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1p1j s VAL 459 CO 0.30 0.54 0.13 -0.94 0.00 0.00 0.00 175.10 175.13 1p1j s SER 460 N -0.20 0.46 0.13 3.32 1.04 -0.16 -4.49 113.70 113.80 1p1j s SER 460 Ca 0.05 -1.42 -0.25 0.00 0.48 0.00 0.00 55.95 54.81 1p1j s SER 460 Cb -0.13 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.42 1p1j s SER 460 CO 0.02 -0.84 0.87 -0.72 0.98 0.00 0.00 173.24 173.56 1p1j s TYR 461 N -4.03 -0.23 -0.09 5.02 -0.85 -0.44 -0.50 117.35 116.23 1p1j s TYR 461 Ca 0.39 -0.04 -0.14 0.00 -0.52 0.00 0.00 57.07 56.76 1p1j s TYR 461 Cb 0.07 0.62 0.03 0.00 0.38 0.00 0.00 41.96 43.05 1p1j s TYR 461 CO 0.13 -0.81 0.35 -1.59 -1.52 0.00 0.00 175.55 172.11 1p1j s LYS 462 N -3.37 0.53 0.42 -3.49 -2.85 -0.94 -0.10 119.74 109.93 1p1j s LYS 462 Ca 0.09 0.22 -0.25 0.00 -1.00 0.00 0.00 55.97 55.04 1p1j s LYS 462 Cb -0.02 0.25 -0.08 0.00 -2.06 0.00 0.00 37.83 35.92 1p1j s LYS 462 CO -0.01 -0.11 1.17 0.15 0.10 0.00 0.00 175.35 176.65 1p1j s LYS 463 N -0.44 3.96 -0.17 1.78 1.02 -1.26 -2.24 119.74 122.39 1p1j s LYS 463 Ca -0.06 1.83 -0.08 0.00 0.02 0.00 0.00 55.97 57.68 1p1j s LYS 463 Cb -0.04 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1p1j s LYS 463 CO 0.02 -0.39 0.09 0.08 -0.92 0.00 0.00 175.35 174.23 1p1j s VAL 464 N -1.45 5.09 -0.29 3.17 1.01 0.52 -4.75 120.40 123.69 1p1j s VAL 464 Ca 0.59 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 1p1j s VAL 464 Cb -0.30 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1p1j s VAL 464 CO 0.38 0.50 0.51 -0.62 0.00 0.00 0.00 175.10 175.87 1p1j s ASP 465 N -0.02 6.39 0.54 3.32 -1.08 -1.26 -4.51 116.67 120.05 1p1j s ASP 465 Ca 0.08 0.32 0.25 0.00 -0.52 0.00 0.00 52.55 52.68 1p1j s ASP 465 Cb -0.12 -2.28 1.42 0.00 -1.46 0.00 0.00 42.92 40.49 1p1j s ASP 465 CO 0.00 -0.36 2.01 1.55 0.52 0.00 0.00 175.17 178.90 1p1j h PRO 466 N 8.19 0.00 -0.34 4.34 0.13 -1.97 -2.31 132.00 140.05 1p1j h PRO 466 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1p1j h PRO 466 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1p1j h PRO 466 CO 0.74 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.84 1p1j n VAL 467 N -4.29 1.49 -3.32 1.56 0.24 -1.26 -4.88 118.33 107.87 1p1j n VAL 467 Ca 0.08 -1.31 -0.10 0.00 -2.04 0.00 0.00 64.34 60.97 1p1j n VAL 467 Cb 0.55 0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 1p1j n VAL 467 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1p1j s LYS 468 N -1.67 0.39 0.58 7.34 2.20 -0.87 -5.15 119.74 122.56 1p1j s LYS 468 Ca 0.31 0.18 -0.20 0.00 -0.36 0.00 0.00 55.97 55.90 1p1j s LYS 468 Cb 0.21 -0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1p1j s LYS 468 CO 0.14 -0.96 1.29 0.39 -0.36 0.00 0.00 175.35 175.85 1p1j n GLU 469 N 5.35 1.45 -4.17 4.03 1.02 -1.26 -3.33 120.64 123.73 1p1j n GLU 469 Ca -0.00 0.54 -0.33 0.00 -0.02 0.00 0.00 57.16 57.35 1p1j n GLU 469 Cb 0.49 -2.51 -0.04 0.00 -0.02 0.00 0.00 31.44 29.36 1p1j n GLU 469 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1p1j n ASP 470 N -1.18 -1.70 -4.89 1.62 9.92 -1.26 -4.96 116.55 114.10 1p1j n ASP 470 Ca 0.12 -1.06 -0.29 0.00 -0.53 0.00 0.00 54.79 53.03 1p1j n ASP 470 Cb 0.46 -2.62 -0.03 0.00 -0.64 0.00 0.00 41.12 38.28 1p1j n ASP 470 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p1j s ALA 471 N -3.64 3.48 0.38 2.24 0.00 -1.21 -4.95 121.76 118.06 1p1j s ALA 471 Ca 0.42 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1p1j s ALA 471 Cb -0.23 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1p1j s ALA 471 CO 0.93 0.10 0.00 0.41 0.00 0.00 0.00 175.76 177.20 1p1j n GLY 472 N -1.16 -2.49 3.47 0.00 0.00 -1.26 -4.80 105.19 98.95 1p1j n GLY 472 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1p1j n GLY 472 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1j s LYS 473 N -2.97 1.66 0.36 1.61 0.00 -1.26 -5.01 119.74 114.13 1p1j s LYS 473 Ca 0.00 -1.83 -0.27 0.00 0.00 0.00 0.00 55.97 53.87 1p1j s LYS 473 Cb 0.00 -1.49 -0.09 0.00 0.00 0.00 0.00 37.83 36.25 1p1j s LYS 473 CO 0.00 0.15 1.22 -0.06 0.00 0.00 0.00 175.35 176.65 1p1j s PHE 474 N -2.75 3.11 0.17 1.78 0.40 -1.26 -4.57 117.98 114.85 1p1j s PHE 474 Ca 0.30 1.52 0.03 0.00 -0.60 0.00 0.00 56.93 58.18 1p1j s PHE 474 Cb 0.01 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 40.00 1p1j s PHE 474 CO 0.14 -1.46 -0.05 -1.21 0.70 0.00 0.00 175.22 173.34 1p1j s GLU 475 N -2.01 1.12 0.59 0.44 2.02 0.86 -4.86 118.70 116.86 1p1j s GLU 475 Ca 0.53 -1.52 0.03 0.00 0.02 0.00 0.00 54.97 54.03 1p1j s GLU 475 Cb -0.35 -0.51 0.07 0.00 0.10 0.00 0.00 34.13 33.45 1p1j s GLU 475 CO 0.45 -0.02 0.82 -0.80 0.02 0.00 0.00 175.26 175.72 1p1j s ASN 476 N -3.19 5.01 0.76 -0.19 0.01 -1.26 -1.32 114.94 114.76 1p1j s ASN 476 Ca 0.21 -0.30 -0.15 0.00 -0.71 0.00 0.00 52.86 51.91 1p1j s ASN 476 Cb 0.04 -0.40 0.04 0.00 0.41 0.00 0.00 41.25 41.34 1p1j s ASN 476 CO 0.03 -1.35 1.08 0.49 -1.51 0.00 0.00 177.10 175.84 1p1j n PHE 477 N -2.42 0.96 -1.83 2.20 3.72 -1.26 -4.89 117.46 113.94 1p1j n PHE 477 Ca 0.11 0.39 -0.42 0.00 -0.05 0.00 0.00 57.45 57.49 1p1j n PHE 477 Cb 0.60 -2.10 -0.02 0.00 -0.94 0.00 0.00 39.48 37.03 1p1j n PHE 477 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1p1j s TYR 478 N -1.94 2.84 0.23 1.38 6.14 -1.26 -4.85 117.35 119.90 1p1j s TYR 478 Ca 0.73 0.77 0.06 0.00 0.64 0.00 0.00 57.07 59.27 1p1j s TYR 478 Cb -0.32 -4.02 0.68 0.00 0.42 0.00 0.00 41.96 38.72 1p1j s TYR 478 CO 0.50 -3.48 1.11 -2.30 0.64 0.00 0.00 175.55 172.03 1p1j n PRO 479 N 2.53 -0.05 -2.53 4.97 -0.02 -1.26 -4.13 135.00 134.51 1p1j n PRO 479 Ca 0.09 1.03 -0.42 0.00 -2.02 0.00 0.00 63.50 62.18 1p1j n PRO 479 Cb 0.38 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 1p1j n PRO 479 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1p1j s VAL 480 N -5.44 3.95 -1.27 -1.45 1.01 -1.26 -1.45 120.40 114.49 1p1j s VAL 480 Ca -0.08 0.84 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 1p1j s VAL 480 Cb 0.22 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.97 1p1j s VAL 480 CO 0.55 -1.29 1.84 0.18 0.00 0.00 0.00 175.10 176.38 1p1j n LEU 481 N 8.76 4.64 0.11 3.92 4.77 -0.75 -4.77 117.00 133.69 1p1j n LEU 481 Ca 0.10 -3.72 0.10 0.00 -0.03 0.00 0.00 56.01 52.45 1p1j n LEU 481 Cb 0.49 -1.72 0.46 0.00 -2.33 0.00 0.00 43.42 40.32 1p1j n LEU 481 CO 0.71 -0.26 0.80 0.35 -1.33 0.00 0.00 177.39 177.66 1p1j n THR 482 N 6.60 1.03 0.30 -5.08 -2.24 -1.26 -1.98 114.28 111.65 1p1j n THR 482 Ca 0.48 0.43 0.19 0.00 -2.27 0.00 0.00 64.05 62.89 1p1j n THR 482 Cb 0.45 -1.38 0.98 0.00 -2.10 0.00 0.00 70.33 68.29 1p1j n THR 482 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1p1j h PHE 483 N 0.00 0.00 -0.22 4.78 0.05 -1.98 -1.07 116.94 118.50 1p1j h PHE 483 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1p1j h PHE 483 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.14 1p1j h PHE 483 CO 0.00 0.00 0.00 1.28 -0.18 0.00 0.00 178.31 179.41 1p1j n LEU 484 N -2.87 1.43 0.02 1.54 4.77 -0.84 -4.37 117.00 116.68 1p1j n LEU 484 Ca -0.02 -0.67 0.16 0.00 -0.03 0.00 0.00 56.01 55.45 1p1j n LEU 484 Cb 0.11 -0.14 0.63 0.00 -2.33 0.00 0.00 43.42 41.68 1p1j n LEU 484 CO 0.19 0.33 1.17 0.28 -1.33 0.00 0.00 177.39 178.03 1p1j h SER 485 N 1.70 0.10 -0.84 -1.43 0.02 -1.41 -2.07 113.55 109.62 1p1j h SER 485 Ca 0.00 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.15 1p1j h SER 485 Cb 0.38 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1p1j h SER 485 CO 0.00 0.06 0.56 0.22 -1.14 0.00 0.00 176.83 176.53 1p1j h TYR 486 N 0.11 0.42 -0.15 3.45 5.03 -1.84 -1.75 116.97 122.24 1p1j h TYR 486 Ca 0.22 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1p1j h TYR 486 Cb 0.73 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1p1j h TYR 486 CO -0.00 0.13 0.00 0.91 -1.32 0.00 0.00 178.16 177.88 1p1j n TRP 487 N -4.46 0.17 -4.82 -3.82 8.01 -0.78 -4.83 117.44 106.91 1p1j n TRP 487 Ca 0.17 -0.09 -0.25 0.00 -1.31 0.00 0.00 57.50 56.03 1p1j n TRP 487 Cb 0.68 0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.83 1p1j n TRP 487 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1p1j s LEU 488 N -1.80 2.05 0.04 -0.99 1.43 -0.66 -0.70 118.68 118.06 1p1j s LEU 488 Ca 0.33 -0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 1p1j s LEU 488 Cb 0.21 -0.91 -0.14 0.00 0.03 0.00 0.00 46.19 45.38 1p1j s LEU 488 CO 0.31 0.21 1.40 0.11 0.23 0.00 0.00 176.35 178.60 1p1j h LYS 489 N 5.59 0.30 -3.12 1.70 1.57 0.10 -3.39 116.57 119.32 1p1j h LYS 489 Ca -0.38 -0.13 -0.62 0.00 -1.87 0.00 0.00 60.65 57.65 1p1j h LYS 489 Cb 1.15 -0.01 -0.41 0.00 0.08 0.00 0.00 32.23 33.04 1p1j h LYS 489 CO 0.48 0.63 -0.65 0.00 -0.57 0.00 0.00 179.45 179.34 1p1j s ALA 490 N -4.57 3.21 -0.04 3.86 0.00 -1.01 -4.56 121.76 118.65 1p1j s ALA 490 Ca -0.14 -3.36 -0.35 0.00 0.00 0.00 0.00 51.96 48.11 1p1j s ALA 490 Cb 0.05 -2.08 -0.14 0.00 0.00 0.00 0.00 23.12 20.96 1p1j s ALA 490 CO 0.73 -2.06 1.72 -2.30 0.00 0.00 0.00 175.76 173.85 1p1j n PRO 491 N 2.66 1.87 -2.25 0.00 -0.02 -1.26 -4.50 135.00 131.50 1p1j n PRO 491 Ca 0.14 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 1p1j n PRO 491 Cb 0.35 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1p1j n PRO 491 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1p1j s LEU 492 N 2.74 4.19 0.25 2.45 2.96 -1.22 -4.78 118.68 125.26 1p1j s LEU 492 Ca 0.89 2.40 0.03 0.00 -0.22 0.00 0.00 54.13 57.23 1p1j s LEU 492 Cb -0.79 -4.01 -0.05 0.00 0.50 0.00 0.00 46.19 41.84 1p1j s LEU 492 CO 0.50 -0.72 0.01 0.42 -1.32 0.00 0.00 176.35 175.24 1p1j s THR 493 N -1.39 1.04 0.28 3.68 -4.23 -1.26 -4.75 115.64 109.01 1p1j s THR 493 Ca 0.57 -2.03 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 1p1j s THR 493 Cb -0.32 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 70.98 1p1j s THR 493 CO 0.40 -0.24 1.13 -0.60 -0.54 0.00 0.00 174.62 174.77 1p1j s ARG 494 N -3.88 4.60 0.09 3.99 3.52 -1.26 -4.91 118.95 121.10 1p1j s ARG 494 Ca 0.31 1.85 -0.37 0.00 -0.13 0.00 0.00 55.73 57.39 1p1j s ARG 494 Cb 0.06 -3.18 -0.17 0.00 -1.56 0.00 0.00 34.95 30.10 1p1j s ARG 494 CO 0.10 0.15 1.34 -0.35 -0.81 0.00 0.00 175.30 175.74 1p1j n PRO 495 N 1.24 1.16 0.00 5.12 -0.04 -1.26 -1.21 135.00 140.01 1p1j n PRO 495 Ca -0.01 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1p1j n PRO 495 Cb 0.44 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1p1j n PRO 495 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p1j n GLY 496 N 2.54 3.15 3.83 0.55 0.00 -1.26 -5.04 105.19 108.96 1p1j n GLY 496 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1p1j n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p1j s PHE 497 N -2.65 3.72 0.21 1.61 0.40 -0.35 -5.09 117.98 115.84 1p1j s PHE 497 Ca 0.00 0.99 -0.09 0.00 -0.60 0.00 0.00 56.93 57.23 1p1j s PHE 497 Cb 0.00 -2.29 -0.07 0.00 0.51 0.00 0.00 43.02 41.17 1p1j s PHE 497 CO 0.00 0.64 0.51 -1.01 0.70 0.00 0.00 175.22 176.06 1p1j s HIS 498 N -1.05 3.43 0.66 0.36 3.76 -1.26 -4.61 115.29 116.59 1p1j s HIS 498 Ca 0.24 0.80 -0.12 0.00 -0.15 0.00 0.00 55.06 55.83 1p1j s HIS 498 Cb -0.17 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.31 1p1j s HIS 498 CO 0.13 0.30 1.05 -1.25 -0.85 0.00 0.00 174.74 174.12 1p1j s PRO 499 N -2.79 3.20 -0.18 8.40 0.04 -1.26 -5.05 135.00 137.36 1p1j s PRO 499 Ca 0.46 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1p1j s PRO 499 Cb -0.11 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1p1j s PRO 499 CO 0.22 -0.89 -0.14 0.08 0.04 0.00 0.00 177.00 176.31 1p1j s VAL 500 N -3.01 1.73 -0.54 -0.36 1.01 -1.26 -4.80 120.40 113.16 1p1j s VAL 500 Ca 0.58 -0.88 0.22 0.00 0.00 0.00 0.00 61.98 61.89 1p1j s VAL 500 Cb -0.13 -1.68 -0.22 0.00 0.00 0.00 0.00 36.38 34.35 1p1j s VAL 500 CO 0.52 0.34 0.82 0.59 0.00 0.00 0.00 175.10 177.37 1p1j n ASN 501 N 4.69 0.54 -4.67 3.32 4.13 -1.26 -4.91 115.26 117.11 1p1j n ASN 501 Ca -0.17 -0.38 -0.49 0.00 1.68 0.00 0.00 54.58 55.22 1p1j n ASN 501 Cb 0.48 1.23 -0.05 0.00 -1.54 0.00 0.00 39.78 39.90 1p1j n ASN 501 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p1j n GLY 502 N 1.37 1.36 0.21 7.41 0.00 -1.26 -4.85 105.19 109.43 1p1j n GLY 502 Ca 0.01 0.87 -0.03 0.00 0.00 0.00 0.00 46.02 46.87 1p1j n GLY 502 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p1j h LEU 503 N 9.48 0.31 -0.98 0.99 5.85 -1.82 -1.70 115.31 127.44 1p1j h LEU 503 Ca -0.47 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 1p1j h LEU 503 Cb 1.28 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1p1j h LEU 503 CO 0.95 0.21 0.00 0.78 -0.34 0.00 0.00 178.44 180.05 1p1j h ASN 504 N 0.46 0.70 -0.21 1.25 2.35 -1.89 -1.08 115.58 117.16 1p1j h ASN 504 Ca 0.25 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1p1j h ASN 504 Cb 0.21 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1p1j h ASN 504 CO -0.21 0.77 -0.24 0.11 -1.65 0.00 0.00 177.43 176.22 1p1j h LYS 505 N 0.69 0.68 -0.48 0.81 1.57 -1.85 -0.56 116.57 117.43 1p1j h LYS 505 Ca 0.14 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1p1j h LYS 505 Cb 0.42 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1p1j h LYS 505 CO 0.02 0.86 -0.03 1.96 -0.57 0.00 0.00 179.45 181.68 1p1j h GLN 506 N 0.59 0.81 -0.04 3.15 4.20 -0.77 -1.53 115.11 121.53 1p1j h GLN 506 Ca 0.08 -0.24 -0.21 0.00 0.06 0.00 0.00 58.65 58.34 1p1j h GLN 506 Cb 0.72 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1p1j h GLN 506 CO 0.06 0.84 -0.85 -0.09 -0.67 0.00 0.00 178.83 178.11 1p1j h ARG 507 N 0.75 0.43 -0.91 1.46 2.43 -0.95 -3.09 114.38 114.50 1p1j h ARG 507 Ca 0.14 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1p1j h ARG 507 Cb 0.50 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1p1j h ARG 507 CO 0.03 1.07 0.55 1.15 -1.51 0.00 0.00 179.97 181.25 1p1j h THR 508 N 0.27 1.25 -0.21 0.20 2.02 -0.84 0.74 112.91 116.33 1p1j h THR 508 Ca -0.06 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.59 1p1j h THR 508 Cb 1.47 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1p1j h THR 508 CO 0.15 0.27 0.07 0.00 0.37 0.00 0.00 175.52 176.37 1p1j h ALA 509 N 1.34 0.23 -0.46 6.16 0.00 -1.24 0.13 119.26 125.42 1p1j h ALA 509 Ca 0.33 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1p1j h ALA 509 Cb -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1p1j h ALA 509 CO -0.06 -0.35 0.15 -0.07 0.00 0.00 0.00 179.25 178.91 1p1j h LEU 510 N 0.17 0.67 0.04 0.00 3.38 -1.36 -1.82 115.31 116.39 1p1j h LEU 510 Ca 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1p1j h LEU 510 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1p1j h LEU 510 CO -0.10 0.70 -0.06 -0.08 0.09 0.00 0.00 178.44 178.99 1p1j h GLU 511 N 0.61 -0.12 0.00 1.13 4.81 -0.42 -1.91 114.58 118.68 1p1j h GLU 511 Ca 0.15 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1p1j h GLU 511 Cb 0.26 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1p1j h GLU 511 CO -0.01 -0.08 -0.19 -0.91 -0.73 0.00 0.00 179.01 177.10 1p1j h ASN 512 N -0.12 0.00 -0.10 1.04 -0.26 -0.70 -1.22 115.58 114.22 1p1j h ASN 512 Ca 0.01 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1p1j h ASN 512 Cb 0.12 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1p1j h ASN 512 CO -0.03 0.19 -0.07 0.15 -1.06 0.00 0.00 177.43 176.61 1p1j h PHE 513 N 0.00 0.27 -0.64 1.19 3.04 -0.91 -0.73 116.94 119.16 1p1j h PHE 513 Ca -0.00 -0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.83 1p1j h PHE 513 Cb 0.40 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 1p1j h PHE 513 CO 0.00 0.62 0.22 -0.07 -2.02 0.00 0.00 178.31 177.06 1p1j h LEU 514 N -0.17 0.88 -0.16 0.59 3.38 -1.10 -2.43 115.31 116.31 1p1j h LEU 514 Ca 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1p1j h LEU 514 Cb 0.57 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1p1j h LEU 514 CO 0.02 0.81 0.07 0.03 0.09 0.00 0.00 178.44 179.45 1p1j h ARG 515 N 0.93 0.23 -0.04 1.13 3.08 -1.11 -2.93 114.38 115.67 1p1j h ARG 515 Ca 0.21 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 1p1j h ARG 515 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1p1j h ARG 515 CO -0.01 0.30 -0.20 1.37 -1.07 0.00 0.00 179.97 180.37 1p1j h LEU 516 N 0.10 0.06 -1.63 3.04 8.10 -0.95 0.82 115.31 124.84 1p1j h LEU 516 Ca 0.05 -0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.99 1p1j h LEU 516 Cb 0.16 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 1p1j h LEU 516 CO -0.00 0.26 -0.20 -0.07 -4.11 0.00 0.00 178.44 174.31 1p1j h LEU 517 N 0.06 0.00 -3.46 0.17 3.38 -1.25 -2.07 115.31 112.13 1p1j h LEU 517 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1p1j h LEU 517 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1p1j h LEU 517 CO 0.03 0.20 0.01 2.30 0.09 0.00 0.00 178.44 181.07 1p1j n ILE 518 N -3.87 2.61 -0.92 1.22 -5.35 -0.75 -4.77 119.36 107.52 1p1j n ILE 518 Ca -0.02 -1.60 0.00 0.00 -0.27 0.00 0.00 62.75 60.86 1p1j n ILE 518 Cb 0.30 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1p1j n ILE 518 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p1j n GLY 519 N 0.17 0.47 3.76 3.28 0.00 -0.78 -4.72 105.19 107.37 1p1j n GLY 519 Ca 0.26 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1p1j n GLY 519 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1j s LEU 520 N 0.00 3.82 0.96 0.99 1.43 0.21 -4.97 118.68 121.12 1p1j s LEU 520 Ca 0.00 0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 1p1j s LEU 520 Cb 0.00 -2.13 0.17 0.00 0.03 0.00 0.00 46.19 44.26 1p1j s LEU 520 CO 0.00 0.31 1.19 -2.16 0.23 0.00 0.00 176.35 175.92 1p1j s PRO 521 N -1.49 0.74 0.69 1.29 0.04 -1.26 -2.87 135.00 132.14 1p1j s PRO 521 Ca 0.20 -0.00 -0.16 0.00 0.04 0.00 0.00 61.00 61.07 1p1j s PRO 521 Cb -0.12 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1p1j s PRO 521 CO 0.10 -2.42 1.24 -1.12 0.04 0.00 0.00 177.00 174.85 1p1j s SER 522 N -4.35 4.39 0.10 6.66 0.01 -1.26 -4.82 113.70 114.43 1p1j s SER 522 Ca 0.68 2.47 -0.31 0.00 1.31 0.00 0.00 55.95 60.10 1p1j s SER 522 Cb -0.10 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 1p1j s SER 522 CO 0.53 -2.14 1.32 -1.10 0.41 0.00 0.00 173.24 172.26 1p1j s GLN 523 N -3.65 4.36 -0.01 12.44 -1.52 -1.26 -4.90 119.66 125.13 1p1j s GLN 523 Ca 0.78 1.96 0.04 0.00 -1.95 0.00 0.00 55.36 56.20 1p1j s GLN 523 Cb -0.33 -3.28 -0.07 0.00 -0.22 0.00 0.00 33.01 29.11 1p1j s GLN 523 CO 0.42 -0.37 0.11 0.27 -0.25 0.00 0.00 175.29 175.47 1p1j n ASN 524 N 3.92 3.53 -1.50 5.90 0.23 -1.26 -5.01 115.26 121.07 1p1j n ASN 524 Ca 0.10 -0.07 -0.19 0.00 -0.53 0.00 0.00 54.58 53.89 1p1j n ASN 524 Cb 0.44 1.18 -0.08 0.00 -2.08 0.00 0.00 39.78 39.24 1p1j n ASN 524 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p1j n GLU 525 N -1.59 -1.46 0.11 -3.83 -0.58 -1.26 -4.85 120.64 107.17 1p1j n GLU 525 Ca -0.01 1.14 -0.03 0.00 -0.42 0.00 0.00 57.16 57.85 1p1j n GLU 525 Cb 0.11 -5.51 0.17 0.00 -0.57 0.00 0.00 31.44 25.63 1p1j n GLU 525 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1p1j h LEU 526 N 0.00 0.17 -2.58 -4.62 3.38 -2.00 -3.47 115.31 106.19 1p1j h LEU 526 Ca -0.39 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 1p1j h LEU 526 Cb 1.28 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 1p1j h LEU 526 CO 0.57 0.70 -0.96 0.54 0.09 0.00 0.00 178.44 179.38 1p1j n ARG 527 N -3.89 -1.37 0.31 1.13 1.74 -1.26 -4.75 116.66 108.57 1p1j n ARG 527 Ca -0.02 0.19 0.19 0.00 -0.77 0.00 0.00 57.85 57.45 1p1j n ARG 527 Cb 0.58 -3.61 0.98 0.00 -1.02 0.00 0.00 32.46 29.40 1p1j n ARG 527 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1p1j h PHE 528 N -2.02 0.00 -0.17 -1.55 0.04 -1.97 -1.34 116.94 109.94 1p1j h PHE 528 Ca -0.67 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.12 1p1j h PHE 528 Cb 1.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.53 1p1j h PHE 528 CO 0.46 0.02 0.11 0.93 -0.60 0.00 0.00 178.31 179.23 1p1j h GLU 529 N 0.00 0.17 0.00 1.51 3.07 -1.88 -1.69 114.58 115.76 1p1j h GLU 529 Ca -0.00 -0.01 -0.40 0.00 -0.50 0.00 0.00 59.36 58.45 1p1j h GLU 529 Cb 0.19 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.00 1p1j h GLU 529 CO 0.00 0.11 -2.46 -1.91 -1.40 0.00 0.00 179.01 173.35 1p1j n GLU 530 N -4.51 0.62 0.16 2.33 2.13 -0.59 -4.63 120.64 116.15 1p1j n GLU 530 Ca -0.00 0.17 0.02 0.00 0.66 0.00 0.00 57.16 58.01 1p1j n GLU 530 Cb 0.12 -1.50 0.24 0.00 0.27 0.00 0.00 31.44 30.57 1p1j n GLU 530 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p1j h ARG 531 N -0.20 0.00 -6.17 5.31 3.08 -1.32 -3.44 114.38 111.64 1p1j h ARG 531 Ca -0.59 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 58.86 1p1j h ARG 531 Cb 1.82 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.80 1p1j h ARG 531 CO -0.15 0.50 -0.57 -0.51 -1.07 0.00 0.00 179.97 178.17 1p1j s LEU 532 N -7.21 3.87 0.00 3.04 1.43 -0.64 -5.05 118.68 114.11 1p1j s LEU 532 Ca -0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1p1j s LEU 532 Cb 0.11 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1p1j s LEU 532 CO 0.72 0.11 0.47 0.18 0.23 0.00 0.00 176.35 178.07