#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dj3 n ASP 12 N 0.00 8.01 0.04 0.00 8.00 -1.26 -4.65 116.55 126.69 1dj3 n ASP 12 Ca 0.00 -2.79 0.01 0.00 0.71 0.00 0.00 54.79 52.73 1dj3 n ASP 12 Cb 0.00 -1.51 0.34 0.00 -0.02 0.00 0.00 41.12 39.94 1dj3 n ASP 12 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1dj3 h ARG 13 N 4.99 0.43 -0.18 -1.24 -0.00 -1.96 -2.46 114.38 113.97 1dj3 h ARG 13 Ca 0.78 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.98 60.13 1dj3 h ARG 13 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 1dj3 h ARG 13 CO 1.70 0.47 -0.11 -0.39 0.00 0.00 0.00 179.97 181.64 1dj3 h VAL 14 N 0.41 1.18 -0.43 2.04 -1.51 -2.00 -2.88 116.25 113.07 1dj3 h VAL 14 Ca 0.09 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1dj3 h VAL 14 Cb 0.31 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1dj3 h VAL 14 CO 0.01 0.25 0.00 -1.20 -1.23 0.00 0.00 177.57 175.40 1dj3 n SER 15 N -4.27 3.44 0.06 4.19 7.64 -1.06 -4.26 113.62 119.36 1dj3 n SER 15 Ca -0.00 -1.97 0.08 0.00 1.01 0.00 0.00 58.87 57.99 1dj3 n SER 15 Cb 0.26 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.13 1dj3 n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1dj3 n SER 16 N 1.40 0.66 -4.75 6.43 7.64 -0.95 -4.97 113.62 119.07 1dj3 n SER 16 Ca 0.19 0.26 -0.39 0.00 1.01 0.00 0.00 58.87 59.95 1dj3 n SER 16 Cb 0.58 0.70 0.03 0.00 -1.01 0.00 0.00 64.21 64.51 1dj3 n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1dj3 s LEU 17 N -5.30 3.93 0.88 -3.43 1.43 -1.24 -5.02 118.68 109.93 1dj3 s LEU 17 Ca -0.03 2.77 -0.14 0.00 -1.03 0.00 0.00 54.13 55.71 1dj3 s LEU 17 Cb 0.10 -4.19 0.13 0.00 0.03 0.00 0.00 46.19 42.26 1dj3 s LEU 17 CO 0.82 -1.43 1.22 -0.94 0.23 0.00 0.00 176.35 176.25 1dj3 s SER 18 N -0.87 3.83 0.29 2.29 1.04 -1.26 -4.95 113.70 114.07 1dj3 s SER 18 Ca 0.68 0.63 0.03 0.00 0.48 0.00 0.00 55.95 57.77 1dj3 s SER 18 Cb -0.40 -0.98 0.73 0.00 0.10 0.00 0.00 66.02 65.47 1dj3 s SER 18 CO 0.49 -2.32 1.64 -1.13 0.98 0.00 0.00 173.24 172.91 1dj3 h ASN 19 N -1.34 -0.01 -3.46 7.02 -1.24 -1.92 -3.31 115.58 111.32 1dj3 h ASN 19 Ca -0.46 0.20 -0.62 0.00 0.71 0.00 0.00 56.30 56.13 1dj3 h ASN 19 Cb 1.30 0.27 -0.40 0.00 0.73 0.00 0.00 38.32 40.22 1dj3 h ASN 19 CO 0.56 -0.17 -0.73 -0.69 -1.29 0.00 0.00 177.43 175.10 1dj3 s VAL 20 N -5.93 1.54 0.49 2.57 1.01 -1.26 -0.43 120.40 118.39 1dj3 s VAL 20 Ca -0.12 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 59.93 1dj3 s VAL 20 Cb 0.26 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1dj3 s VAL 20 CO 0.77 -0.68 0.42 -0.44 0.00 0.00 0.00 175.10 175.17 1dj3 s SER 21 N 1.09 4.83 -0.10 3.32 0.01 -0.19 -0.38 113.70 122.27 1dj3 s SER 21 Ca 0.12 -1.00 -0.30 0.00 1.31 0.00 0.00 55.95 56.08 1dj3 s SER 21 Cb -0.19 -0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.07 1dj3 s SER 21 CO -0.14 -0.91 0.75 -0.83 0.41 0.00 0.00 173.24 172.51 1dj3 s GLY 22 N -4.24 -0.51 -0.20 3.44 0.00 -0.85 -0.46 107.32 104.51 1dj3 s GLY 22 Ca 0.43 1.57 -0.05 0.00 0.00 0.00 0.00 44.72 46.67 1dj3 s GLY 22 CO 0.26 1.10 -0.00 0.14 0.00 0.00 0.00 173.10 174.59 1dj3 s VAL 23 N -0.93 3.91 0.01 1.40 1.01 0.46 -1.13 120.40 125.13 1dj3 s VAL 23 Ca -0.08 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1dj3 s VAL 23 Cb -0.01 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1dj3 s VAL 23 CO 0.07 0.43 -0.16 -0.76 0.00 0.00 0.00 175.10 174.68 1dj3 s LEU 24 N 1.00 2.10 0.11 3.92 1.43 0.00 -0.58 118.68 126.66 1dj3 s LEU 24 Ca 0.02 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1dj3 s LEU 24 Cb -0.14 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1dj3 s LEU 24 CO 0.02 0.14 0.96 -0.83 0.23 0.00 0.00 176.35 176.87 1dj3 s GLY 25 N -0.74 3.01 0.00 -3.19 0.00 -1.24 -0.30 107.32 104.86 1dj3 s GLY 25 Ca 0.05 0.58 0.19 0.00 0.00 0.00 0.00 44.72 45.53 1dj3 s GLY 25 CO 0.00 1.46 1.03 -1.14 0.00 0.00 0.00 173.10 174.45 1dj3 n SER 26 N 2.80 2.24 0.00 1.64 3.41 -0.94 -1.71 113.62 121.07 1dj3 n SER 26 Ca 0.02 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1dj3 n SER 26 Cb 0.49 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1dj3 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dj3 n GLN 27 N 0.59 0.00 -4.45 4.33 6.02 -1.26 -4.55 117.38 118.06 1dj3 n GLN 27 Ca 0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.86 1dj3 n GLN 27 Cb 0.44 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.59 1dj3 n GLN 27 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1dj3 s TRP 28 N 3.85 2.05 0.00 1.08 0.51 -1.26 -2.53 118.94 122.64 1dj3 s TRP 28 Ca 0.00 -0.62 0.00 0.00 -2.12 0.00 0.00 56.10 53.36 1dj3 s TRP 28 Cb 0.00 -1.13 0.00 0.00 -0.81 0.00 0.00 33.47 31.53 1dj3 s TRP 28 CO 0.00 0.39 0.00 0.41 -0.51 0.00 0.00 176.95 177.24 1dj3 n GLY 29 N -0.61 0.96 3.53 0.98 0.00 -1.25 -4.59 105.19 104.20 1dj3 n GLY 29 Ca -0.06 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1dj3 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dj3 s ASP 30 N -4.00 6.37 0.00 1.61 1.11 -1.26 -4.40 116.67 116.10 1dj3 s ASP 30 Ca 0.00 -0.26 0.22 0.00 0.18 0.00 0.00 52.55 52.69 1dj3 s ASP 30 Cb 0.00 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 1dj3 s ASP 30 CO 0.00 -0.97 1.04 -0.62 1.18 0.00 0.00 175.17 175.80 1dj3 n GLU 31 N 6.78 0.02 -0.74 8.23 4.71 -1.26 -4.97 120.64 133.41 1dj3 n GLU 31 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1dj3 n GLU 31 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1dj3 n GLU 31 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dj3 n GLY 32 N 1.50 1.04 0.12 0.62 0.00 -1.26 -4.72 105.19 102.48 1dj3 n GLY 32 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1dj3 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dj3 h LYS 33 N 0.00 0.31 -0.85 1.61 1.57 -1.95 -3.12 116.57 114.13 1dj3 h LYS 33 Ca 0.00 -0.07 0.20 0.00 -1.87 0.00 0.00 60.65 58.91 1dj3 h LYS 33 Cb 0.30 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.42 1dj3 h LYS 33 CO 0.00 0.42 -0.02 0.78 -0.57 0.00 0.00 179.45 180.06 1dj3 h GLY 34 N 0.14 0.94 0.19 3.86 0.00 -1.92 0.47 103.07 106.76 1dj3 h GLY 34 Ca 0.06 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.62 1dj3 h GLY 34 CO -0.00 -0.36 -0.06 1.70 0.00 0.00 0.00 176.54 177.81 1dj3 h LYS 35 N 0.07 0.04 -0.48 4.80 3.64 -1.72 0.98 116.57 123.89 1dj3 h LYS 35 Ca 0.47 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 1dj3 h LYS 35 Cb 0.87 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1dj3 h LYS 35 CO -0.78 0.03 0.22 1.25 -2.27 0.00 0.00 179.45 177.90 1dj3 h LEU 36 N 0.04 0.64 -1.20 5.20 5.85 -1.05 -2.14 115.31 122.65 1dj3 h LEU 36 Ca 0.21 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1dj3 h LEU 36 Cb 0.32 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1dj3 h LEU 36 CO -0.41 0.60 0.54 0.58 -0.34 0.00 0.00 178.44 179.42 1dj3 h VAL 37 N 0.63 1.18 -0.42 1.05 2.07 -0.39 -0.36 116.25 120.00 1dj3 h VAL 37 Ca 0.16 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1dj3 h VAL 37 Cb 0.15 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1dj3 h VAL 37 CO -0.02 0.20 -0.14 -0.78 0.02 0.00 0.00 177.57 176.85 1dj3 h ASP 38 N 1.08 0.77 -0.20 0.57 3.58 -0.50 0.16 116.42 121.88 1dj3 h ASP 38 Ca 0.31 -0.24 -0.18 0.00 0.42 0.00 0.00 57.03 57.34 1dj3 h ASP 38 Cb -0.06 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.78 1dj3 h ASP 38 CO -0.08 0.92 -0.58 0.58 -2.88 0.00 0.00 179.24 177.20 1dj3 h VAL 39 N 0.70 1.30 0.00 2.25 2.07 -0.76 -3.27 116.25 118.53 1dj3 h VAL 39 Ca 0.11 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1dj3 h VAL 39 Cb 0.63 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1dj3 h VAL 39 CO 0.04 0.57 -0.32 -0.07 0.02 0.00 0.00 177.57 177.82 1dj3 h LEU 40 N 0.47 0.00 -0.57 2.57 3.38 -1.02 -3.39 115.31 116.75 1dj3 h LEU 40 Ca -0.02 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1dj3 h LEU 40 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 1dj3 h LEU 40 CO 0.12 0.02 0.12 0.00 0.09 0.00 0.00 178.44 178.79 1dj3 h ALA 41 N 2.21 0.67 0.00 1.53 0.00 -0.73 -2.40 119.26 120.53 1dj3 h ALA 41 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dj3 h ALA 41 Cb 0.90 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dj3 h ALA 41 CO 0.00 -0.31 0.02 -0.35 0.00 0.00 0.00 179.25 178.62 1dj3 n PRO 42 N -5.13 0.14 0.00 0.00 -0.04 -1.26 -0.71 135.00 128.00 1dj3 n PRO 42 Ca 0.08 0.64 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 1dj3 n PRO 42 Cb 0.30 -1.98 0.32 0.00 -0.04 0.00 0.00 33.50 32.10 1dj3 n PRO 42 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1dj3 n ARG 43 N -2.26 1.31 -4.34 0.54 3.00 -0.90 -4.92 116.66 109.09 1dj3 n ARG 43 Ca -0.01 -0.88 -0.28 0.00 -0.00 0.00 0.00 57.85 56.67 1dj3 n ARG 43 Cb 0.05 -1.48 -0.11 0.00 0.00 0.00 0.00 32.46 30.92 1dj3 n ARG 43 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1dj3 s PHE 44 N -2.30 2.47 0.04 -0.14 0.40 0.11 -4.94 117.98 113.63 1dj3 s PHE 44 Ca 0.28 -0.29 0.10 0.00 -0.60 0.00 0.00 56.93 56.41 1dj3 s PHE 44 Cb 0.20 -1.27 -0.19 0.00 0.51 0.00 0.00 43.02 42.27 1dj3 s PHE 44 CO 0.45 0.44 1.11 -0.44 0.70 0.00 0.00 175.22 177.48 1dj3 h ASP 45 N 3.43 0.00 -4.05 1.36 5.19 -1.26 -3.43 116.42 117.66 1dj3 h ASP 45 Ca -0.48 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.72 1dj3 h ASP 45 Cb 1.19 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.44 1dj3 h ASP 45 CO 0.47 0.93 -0.68 -0.63 -3.12 0.00 0.00 179.24 176.22 1dj3 s ILE 46 N -2.71 0.03 -0.11 0.35 1.01 -0.41 -1.80 121.20 117.56 1dj3 s ILE 46 Ca -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1dj3 s ILE 46 Cb 0.09 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.47 1dj3 s ILE 46 CO 0.81 -0.12 -0.11 -0.69 0.00 0.00 0.00 174.94 174.84 1dj3 s VAL 47 N -0.35 1.20 -0.01 2.92 1.01 -0.64 0.28 120.40 124.81 1dj3 s VAL 47 Ca -0.04 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1dj3 s VAL 47 Cb -0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1dj3 s VAL 47 CO -0.00 0.39 -0.16 0.00 0.00 0.00 0.00 175.10 175.33 1dj3 s ALA 48 N 1.37 1.29 -0.25 5.51 0.00 -0.69 -0.80 121.76 128.19 1dj3 s ALA 48 Ca -0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1dj3 s ALA 48 Cb -0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1dj3 s ALA 48 CO -0.05 0.31 0.38 0.50 0.00 0.00 0.00 175.76 176.90 1dj3 s ARG 49 N -0.41 4.07 -0.00 0.00 3.52 0.21 -0.85 118.95 125.49 1dj3 s ARG 49 Ca 0.06 0.10 0.20 0.00 -0.13 0.00 0.00 55.73 55.96 1dj3 s ARG 49 Cb -0.06 -3.61 -0.21 0.00 -1.56 0.00 0.00 34.95 29.50 1dj3 s ARG 49 CO -0.00 -0.20 0.58 0.00 -0.81 0.00 0.00 175.30 174.87 1dj3 s GLN 51 N -3.14 1.74 0.33 0.00 -1.52 -1.26 -3.22 119.66 112.59 1dj3 s GLN 51 Ca -0.06 -2.02 0.00 0.00 -1.95 0.00 0.00 55.36 51.34 1dj3 s GLN 51 Cb 0.10 0.03 0.00 0.00 -0.22 0.00 0.00 33.01 32.93 1dj3 s GLN 51 CO 0.85 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 175.74 1dj3 n GLY 52 N -0.66 -1.95 0.00 3.09 0.00 -1.26 -4.69 105.19 99.71 1dj3 n GLY 52 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1dj3 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dj3 n GLY 53 N -3.25 6.90 0.00 -0.02 0.00 -1.26 -2.43 105.19 105.14 1dj3 n GLY 53 Ca 0.01 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.25 1dj3 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dj3 n ALA 54 N -3.00 2.10 0.11 4.61 0.00 -1.26 -3.51 120.51 119.56 1dj3 n ALA 54 Ca 0.00 -0.10 0.18 0.00 0.00 0.00 0.00 53.44 53.51 1dj3 n ALA 54 Cb 0.00 -1.31 0.74 0.00 0.00 0.00 0.00 19.45 18.88 1dj3 n ALA 54 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1dj3 h ASN 55 N 0.00 0.00 0.00 0.00 7.08 -1.95 -3.41 115.58 117.31 1dj3 h ASN 55 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1dj3 h ASN 55 Cb 0.10 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.34 1dj3 h ASN 55 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.35 1dj3 n ALA 56 N -2.48 0.00 0.00 4.14 0.00 -1.23 -5.10 120.51 115.84 1dj3 n ALA 56 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1dj3 n ALA 56 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1dj3 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dj3 n GLY 57 N 2.61 0.98 3.74 0.00 0.00 -1.24 -4.90 105.19 106.38 1dj3 n GLY 57 Ca 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1dj3 n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dj3 s HIS 58 N 0.00 3.62 -0.26 1.61 3.76 -0.24 -4.86 115.29 118.92 1dj3 s HIS 58 Ca 0.00 1.13 -0.05 0.00 -0.15 0.00 0.00 55.06 55.99 1dj3 s HIS 58 Cb 0.00 -2.63 -0.00 0.00 1.11 0.00 0.00 32.58 31.05 1dj3 s HIS 58 CO 0.00 0.25 0.02 0.99 -0.85 0.00 0.00 174.74 175.15 1dj3 s THR 59 N 0.22 3.70 0.13 1.30 2.01 -1.26 -0.33 115.64 121.41 1dj3 s THR 59 Ca 0.31 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1dj3 s THR 59 Cb -0.17 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1dj3 s THR 59 CO 0.16 0.25 -0.11 0.27 -0.69 0.00 0.00 174.62 174.50 1dj3 s ILE 60 N 1.49 1.19 -0.02 1.82 -4.36 -0.33 -4.28 121.20 116.72 1dj3 s ILE 60 Ca 0.04 -1.87 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 1dj3 s ILE 60 Cb -0.16 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 1dj3 s ILE 60 CO -0.00 -0.60 -0.17 -0.31 0.24 0.00 0.00 174.94 174.10 1dj3 s TYR 61 N -2.75 1.62 0.00 1.37 2.02 -1.26 -0.91 117.35 117.44 1dj3 s TYR 61 Ca 0.12 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1dj3 s TYR 61 Cb -0.01 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 1dj3 s TYR 61 CO 0.01 -0.08 0.00 0.27 -1.57 0.00 0.00 175.55 174.19 1dj3 n ASN 62 N 2.83 -0.00 -0.09 2.29 0.23 -1.09 -4.13 115.26 115.30 1dj3 n ASN 62 Ca -0.16 -0.07 -0.11 0.00 -0.53 0.00 0.00 54.58 53.71 1dj3 n ASN 62 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 1dj3 n ASN 62 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1dj3 h SER 63 N -0.00 0.49 0.51 0.53 0.02 -2.01 -3.00 113.55 110.09 1dj3 h SER 63 Ca 0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1dj3 h SER 63 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1dj3 h SER 63 CO 0.00 0.71 0.00 -0.62 -1.14 0.00 0.00 176.83 175.78 1dj3 n GLU 64 N -4.57 0.20 -0.90 3.45 4.71 -1.26 -4.88 120.64 117.39 1dj3 n GLU 64 Ca -0.03 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1dj3 n GLU 64 Cb 0.28 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1dj3 n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dj3 n GLY 65 N 0.56 0.80 3.71 0.62 0.00 -1.13 -5.05 105.19 104.70 1dj3 n GLY 65 Ca 0.08 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1dj3 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dj3 s LYS 66 N -1.97 4.57 0.14 1.61 2.20 -1.26 -4.82 119.74 120.21 1dj3 s LYS 66 Ca 0.00 1.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 1dj3 s LYS 66 Cb 0.00 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 1dj3 s LYS 66 CO 0.00 0.01 0.99 0.21 -0.36 0.00 0.00 175.35 176.19 1dj3 s LYS 67 N 0.81 4.70 -0.04 4.03 2.20 -1.26 -2.68 119.74 127.49 1dj3 s LYS 67 Ca 0.50 1.51 0.01 0.00 -0.36 0.00 0.00 55.97 57.63 1dj3 s LYS 67 Cb -0.21 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1dj3 s LYS 67 CO 0.27 0.23 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.37 1dj3 s PHE 68 N -0.21 0.87 -0.33 4.03 0.40 -0.09 -5.02 117.98 117.63 1dj3 s PHE 68 Ca 0.47 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1dj3 s PHE 68 Cb -0.25 -0.71 0.10 0.00 0.51 0.00 0.00 43.02 42.67 1dj3 s PHE 68 CO 0.31 -0.18 0.04 0.00 0.70 0.00 0.00 175.22 176.08 1dj3 s ALA 69 N 0.74 2.74 0.48 5.36 0.00 -1.26 -1.19 121.76 128.64 1dj3 s ALA 69 Ca -0.11 -2.37 -0.07 0.00 0.00 0.00 0.00 51.96 49.41 1dj3 s ALA 69 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1dj3 s ALA 69 CO 0.01 -1.63 0.81 -0.51 0.00 0.00 0.00 175.76 174.44 1dj3 s LEU 70 N 0.99 3.62 0.08 0.00 1.02 0.56 -4.89 118.68 120.05 1dj3 s LEU 70 Ca 0.08 1.03 0.00 0.00 0.02 0.00 0.00 54.13 55.26 1dj3 s LEU 70 Cb -0.19 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 42.04 1dj3 s LEU 70 CO -0.09 -0.58 0.00 1.41 0.02 0.00 0.00 176.35 177.11 1dj3 n HIS 71 N -2.14 -0.41 -0.12 0.29 8.25 -1.26 -1.08 115.22 118.74 1dj3 n HIS 71 Ca 0.02 0.07 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 1dj3 n HIS 71 Cb 0.55 0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.72 1dj3 n HIS 71 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1dj3 n LEU 72 N -3.00 2.66 -4.73 2.41 4.77 -1.26 -4.38 117.00 113.45 1dj3 n LEU 72 Ca 0.00 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1dj3 n LEU 72 Cb 0.00 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.24 1dj3 n LEU 72 CO 0.00 0.81 1.28 -0.69 -1.33 0.00 0.00 177.39 177.46 1dj3 s VAL 73 N -2.48 2.15 0.68 4.08 1.01 -1.26 -4.89 120.40 119.69 1dj3 s VAL 73 Ca -0.34 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1dj3 s VAL 73 Cb 0.10 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1dj3 s VAL 73 CO 0.53 0.01 1.19 -2.84 0.00 0.00 0.00 175.10 173.99 1dj3 s PRO 74 N 0.35 2.52 0.03 2.72 0.02 -1.26 -4.86 135.00 134.51 1dj3 s PRO 74 Ca 0.68 1.70 0.11 0.00 0.02 0.00 0.00 61.00 63.50 1dj3 s PRO 74 Cb -0.48 -1.89 0.46 0.00 0.02 0.00 0.00 34.50 32.62 1dj3 s PRO 74 CO 0.40 -1.53 1.33 0.43 -0.33 0.00 0.00 177.00 177.30 1dj3 n SER 75 N -2.34 0.07 0.00 2.53 7.64 -1.26 -2.42 113.62 117.84 1dj3 n SER 75 Ca 0.13 0.52 0.15 0.00 1.01 0.00 0.00 58.87 60.68 1dj3 n SER 75 Cb 0.50 -0.54 0.87 0.00 -1.01 0.00 0.00 64.21 64.04 1dj3 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dj3 n GLY 76 N -0.57 -0.93 0.19 0.23 0.00 -1.26 -3.86 105.19 99.00 1dj3 n GLY 76 Ca 0.02 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1dj3 n GLY 76 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1dj3 h ILE 77 N 0.00 0.00 -0.04 -0.61 6.09 -1.82 -2.47 117.51 118.66 1dj3 h ILE 77 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1dj3 h ILE 77 Cb 0.01 0.60 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1dj3 h ILE 77 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 1dj3 n LEU 78 N -2.39 0.70 -4.22 2.19 4.77 -1.25 -4.79 117.00 112.01 1dj3 n LEU 78 Ca -0.01 -0.26 -0.33 0.00 -0.03 0.00 0.00 56.01 55.37 1dj3 n LEU 78 Cb 0.05 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 1dj3 n LEU 78 CO 0.12 0.13 -0.51 -1.00 -1.33 0.00 0.00 177.39 174.80 1dj3 s HIS 79 N -1.95 2.71 0.14 -1.77 3.76 -0.93 -5.05 115.29 112.20 1dj3 s HIS 79 Ca 0.37 -1.17 -0.23 0.00 -0.15 0.00 0.00 55.06 53.89 1dj3 s HIS 79 Cb 0.18 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 32.04 1dj3 s HIS 79 CO 0.30 -0.52 1.64 0.93 -0.85 0.00 0.00 174.74 176.23 1dj3 h GLU 80 N 7.25 -0.23 -0.83 1.40 4.39 -1.88 -2.44 114.58 122.23 1dj3 h GLU 80 Ca -0.31 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1dj3 h GLU 80 Cb 1.19 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1dj3 h GLU 80 CO 0.55 -0.16 0.00 0.41 -1.16 0.00 0.00 179.01 178.66 1dj3 n GLY 81 N -1.35 1.17 3.33 -3.84 0.00 -1.26 -4.80 105.19 98.44 1dj3 n GLY 81 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1dj3 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dj3 s THR 82 N -1.09 2.58 -0.24 2.61 2.01 -0.92 -4.75 115.64 115.83 1dj3 s THR 82 Ca 0.00 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 1dj3 s THR 82 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1dj3 s THR 82 CO 0.00 0.56 0.09 -0.22 -0.69 0.00 0.00 174.62 174.35 1dj3 s LEU 83 N -0.03 3.58 0.07 4.42 2.96 -0.74 -4.90 118.68 124.03 1dj3 s LEU 83 Ca -0.05 -0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.52 1dj3 s LEU 83 Cb -0.14 -1.96 -0.07 0.00 0.50 0.00 0.00 46.19 44.52 1dj3 s LEU 83 CO 0.05 -0.01 0.59 0.00 -1.32 0.00 0.00 176.35 175.65 1dj3 s VAL 85 N -0.98 0.80 -0.53 0.00 1.01 0.02 -0.70 120.40 120.02 1dj3 s VAL 85 Ca 0.30 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1dj3 s VAL 85 Cb -0.20 -0.73 0.13 0.00 0.00 0.00 0.00 36.38 35.59 1dj3 s VAL 85 CO 0.19 0.26 0.41 -0.69 0.00 0.00 0.00 175.10 175.27 1dj3 s VAL 86 N 0.33 4.42 1.22 2.92 1.01 -0.45 -0.62 120.40 129.23 1dj3 s VAL 86 Ca -0.06 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 59.85 1dj3 s VAL 86 Cb -0.10 -3.88 0.26 0.00 0.00 0.00 0.00 36.38 32.66 1dj3 s VAL 86 CO 0.01 -0.82 0.69 0.61 0.00 0.00 0.00 175.10 175.59 1dj3 n GLY 87 N 4.74 -2.53 0.22 4.51 0.00 0.00 -1.43 105.19 110.71 1dj3 n GLY 87 Ca -0.05 -1.16 0.15 0.00 0.00 0.00 0.00 46.02 44.96 1dj3 n GLY 87 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1dj3 h ASN 88 N -2.73 0.00 1.53 1.61 -1.07 -1.22 -2.61 115.58 111.09 1dj3 h ASN 88 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.81 1dj3 h ASN 88 Cb 1.32 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.57 1dj3 h ASN 88 CO 0.42 0.00 0.00 1.23 0.07 0.00 0.00 177.43 179.15 1dj3 h GLY 89 N 1.82 0.00 -0.84 9.14 0.00 -0.75 -3.37 103.07 109.07 1dj3 h GLY 89 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1dj3 h GLY 89 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 176.54 176.78 1dj3 s ALA 90 N -3.33 1.27 -0.05 3.60 0.00 -0.98 -4.30 121.76 117.97 1dj3 s ALA 90 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1dj3 s ALA 90 Cb 0.08 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1dj3 s ALA 90 CO 0.60 -2.92 -0.03 0.14 0.00 0.00 0.00 175.76 173.55 1dj3 s VAL 91 N -3.24 0.51 -0.24 0.00 -7.23 -1.02 -3.29 120.40 105.89 1dj3 s VAL 91 Ca 0.69 -0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.75 1dj3 s VAL 91 Cb -0.11 -0.57 -0.00 0.00 0.56 0.00 0.00 36.38 36.26 1dj3 s VAL 91 CO 0.55 0.24 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.93 1dj3 s ILE 92 N 1.20 3.45 -1.10 -0.62 1.01 -0.50 -4.40 121.20 120.24 1dj3 s ILE 92 Ca -0.07 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 1dj3 s ILE 92 Cb -0.14 -2.64 0.19 0.00 0.01 0.00 0.00 42.46 39.88 1dj3 s ILE 92 CO -0.02 0.33 1.25 -2.28 0.00 0.00 0.00 174.94 174.22 1dj3 s HIS 93 N 1.47 3.59 0.31 3.97 5.65 -1.26 -1.33 115.29 127.69 1dj3 s HIS 93 Ca 0.04 -2.06 0.09 0.00 0.25 0.00 0.00 55.06 53.38 1dj3 s HIS 93 Cb -0.15 -4.17 0.93 0.00 -1.18 0.00 0.00 32.58 28.01 1dj3 s HIS 93 CO -0.02 -1.30 1.45 0.28 -0.65 0.00 0.00 174.74 174.50 1dj3 n VAL 94 N 4.39 -0.39 -0.01 0.89 0.31 -1.26 -1.19 118.33 121.08 1dj3 n VAL 94 Ca 0.29 1.97 -0.11 0.00 -0.01 0.00 0.00 64.34 66.48 1dj3 n VAL 94 Cb 0.44 -3.00 -0.06 0.00 -0.91 0.00 0.00 33.84 30.31 1dj3 n VAL 94 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1dj3 h PRO 95 N 0.00 0.13 -0.21 5.55 0.11 -1.91 -2.39 132.00 133.27 1dj3 h PRO 95 Ca 0.66 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.69 1dj3 h PRO 95 Cb 1.55 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.62 1dj3 h PRO 95 CO -0.80 0.17 -0.15 0.78 -0.21 0.00 0.00 178.00 177.79 1dj3 h GLY 96 N 0.05 0.38 0.98 -0.55 0.00 -1.56 -2.64 103.07 99.72 1dj3 h GLY 96 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1dj3 h GLY 96 CO -0.00 0.24 -0.28 -2.75 0.00 0.00 0.00 176.54 173.75 1dj3 h PHE 97 N 0.33 -0.72 -0.35 5.60 3.57 -1.02 -1.30 116.94 123.05 1dj3 h PHE 97 Ca 0.06 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1dj3 h PHE 97 Cb 0.47 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1dj3 h PHE 97 CO 0.01 -0.44 0.18 0.74 -2.23 0.00 0.00 178.31 176.57 1dj3 h PHE 98 N -0.75 0.46 -0.33 0.41 0.05 -1.41 0.22 116.94 115.58 1dj3 h PHE 98 Ca -0.07 -0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.65 1dj3 h PHE 98 Cb 0.59 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.37 1dj3 h PHE 98 CO -0.05 0.33 -0.07 0.78 -0.18 0.00 0.00 178.31 179.12 1dj3 h GLY 99 N 0.56 0.58 1.28 -1.45 0.00 -1.21 0.17 103.07 103.00 1dj3 h GLY 99 Ca 0.12 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 1dj3 h GLY 99 CO -0.02 0.35 -0.56 -2.09 0.00 0.00 0.00 176.54 174.23 1dj3 h GLU 100 N 0.51 0.75 -0.20 4.80 4.81 0.04 -2.21 114.58 123.08 1dj3 h GLU 100 Ca 0.10 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1dj3 h GLU 100 Cb 0.43 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1dj3 h GLU 100 CO 0.02 1.11 0.02 0.82 -0.73 0.00 0.00 179.01 180.25 1dj3 h ILE 101 N 0.57 1.24 -0.88 2.32 1.08 -0.35 -2.46 117.51 119.03 1dj3 h ILE 101 Ca 0.01 -0.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.70 1dj3 h ILE 101 Cb 1.14 1.36 -0.04 0.00 -3.07 0.00 0.00 36.82 36.21 1dj3 h ILE 101 CO 0.12 0.24 0.58 0.44 -0.69 0.00 0.00 178.15 178.84 1dj3 h ASP 102 N 0.13 1.00 0.76 1.72 3.32 -0.69 -0.32 116.42 122.35 1dj3 h ASP 102 Ca 0.06 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1dj3 h ASP 102 Cb 0.35 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1dj3 h ASP 102 CO 0.01 0.72 -0.12 1.23 -1.72 0.00 0.00 179.24 179.36 1dj3 h GLY 103 N 1.18 0.00 0.96 2.75 0.00 -1.21 -2.45 103.07 104.31 1dj3 h GLY 103 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.34 1dj3 h GLY 103 CO -0.07 0.00 -1.73 1.41 0.00 0.00 0.00 176.54 176.14 1dj3 h LEU 104 N 0.00 0.26 -1.14 3.11 4.07 -0.82 -3.30 115.31 117.49 1dj3 h LEU 104 Ca -0.00 -0.49 -0.07 0.00 0.08 0.00 0.00 57.88 57.40 1dj3 h LEU 104 Cb 0.53 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1dj3 h LEU 104 CO 0.01 1.43 -0.20 1.56 -1.08 0.00 0.00 178.44 180.16 1dj3 h GLN 105 N 0.05 0.36 0.00 1.13 1.08 -0.97 -0.65 115.11 116.11 1dj3 h GLN 105 Ca -0.31 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 56.73 1dj3 h GLN 105 Cb 2.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.41 1dj3 h GLN 105 CO 0.11 0.55 -0.21 0.66 -0.95 0.00 0.00 178.83 178.99 1dj3 h SER 106 N 0.33 0.00 -0.72 1.46 4.64 -1.59 -3.06 113.55 114.61 1dj3 h SER 106 Ca 0.06 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.99 1dj3 h SER 106 Cb 0.54 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.41 1dj3 h SER 106 CO 0.04 0.21 0.49 0.59 -0.87 0.00 0.00 176.83 177.29 1dj3 n ASN 107 N -3.24 3.87 0.00 4.97 5.03 -0.97 -4.87 115.26 120.04 1dj3 n ASN 107 Ca 0.02 -3.19 0.00 0.00 0.87 0.00 0.00 54.58 52.28 1dj3 n ASN 107 Cb 0.52 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.50 1dj3 n ASN 107 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dj3 n GLY 108 N -0.65 0.41 3.48 7.41 0.00 -1.16 -4.97 105.19 109.71 1dj3 n GLY 108 Ca 0.44 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 1dj3 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dj3 s VAL 109 N -2.20 5.03 0.53 1.61 1.01 -0.29 -5.00 120.40 121.08 1dj3 s VAL 109 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1dj3 s VAL 109 Cb 0.00 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1dj3 s VAL 109 CO 0.00 -0.50 1.03 -0.94 0.00 0.00 0.00 175.10 174.69 1dj3 s SER 110 N 1.96 6.20 0.00 3.32 1.04 -1.26 -2.94 113.70 122.02 1dj3 s SER 110 Ca 0.14 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1dj3 s SER 110 Cb -0.17 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1dj3 s SER 110 CO 0.14 -0.88 0.00 0.00 0.98 0.00 0.00 173.24 173.48 1dj3 n ASP 112 N -0.84 3.63 -0.17 0.00 9.92 -1.26 -1.37 116.55 126.45 1dj3 n ASP 112 Ca 0.00 0.67 -0.02 0.00 -0.53 0.00 0.00 54.79 54.91 1dj3 n ASP 112 Cb 0.00 -1.49 -0.01 0.00 -0.64 0.00 0.00 41.12 38.98 1dj3 n ASP 112 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dj3 n GLY 113 N 5.02 0.56 0.00 0.44 0.00 -1.26 -4.87 105.19 105.09 1dj3 n GLY 113 Ca 0.25 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1dj3 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dj3 n ARG 114 N -2.54 1.02 -3.76 1.61 1.74 -0.47 -5.01 116.66 109.25 1dj3 n ARG 114 Ca -0.02 -0.89 -0.17 0.00 -0.77 0.00 0.00 57.85 55.99 1dj3 n ARG 114 Cb 0.12 -0.88 -0.17 0.00 -1.02 0.00 0.00 32.46 30.52 1dj3 n ARG 114 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dj3 s ILE 115 N -0.44 -0.03 -0.05 0.55 1.01 -1.22 -1.39 121.20 119.63 1dj3 s ILE 115 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.91 1dj3 s ILE 115 Cb 0.00 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.30 1dj3 s ILE 115 CO 0.00 0.13 -0.00 -0.76 0.00 0.00 0.00 174.94 174.31 1dj3 s LEU 116 N 1.42 3.52 -0.24 2.97 1.43 0.12 -4.70 118.68 123.21 1dj3 s LEU 116 Ca -0.05 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1dj3 s LEU 116 Cb -0.13 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.25 1dj3 s LEU 116 CO -0.03 0.34 -0.13 -0.69 0.23 0.00 0.00 176.35 176.07 1dj3 s VAL 117 N -0.96 2.07 -0.04 -1.59 1.01 -0.63 -1.34 120.40 118.92 1dj3 s VAL 117 Ca 0.16 -1.41 -0.36 0.00 0.00 0.00 0.00 61.98 60.37 1dj3 s VAL 117 Cb -0.11 -2.11 -0.14 0.00 0.00 0.00 0.00 36.38 34.01 1dj3 s VAL 117 CO 0.06 0.11 1.65 -0.24 0.00 0.00 0.00 175.10 176.68 1dj3 n SER 118 N 4.51 2.68 0.26 3.32 2.88 -0.51 -2.71 113.62 124.05 1dj3 n SER 118 Ca -0.16 1.06 0.14 0.00 -1.33 0.00 0.00 58.87 58.58 1dj3 n SER 118 Cb 0.44 -1.28 0.72 0.00 -0.75 0.00 0.00 64.21 63.34 1dj3 n SER 118 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1dj3 h ASP 119 N 6.89 0.00 -0.10 -3.46 -0.00 -1.88 -2.33 116.42 115.55 1dj3 h ASP 119 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 1dj3 h ASP 119 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.62 1dj3 h ASP 119 CO 0.90 0.11 0.00 0.54 -0.00 0.00 0.00 179.24 180.79 1dj3 n ARG 120 N -3.47 1.76 -2.61 4.15 1.74 -1.26 -1.65 116.66 115.32 1dj3 n ARG 120 Ca -0.01 -1.13 -0.41 0.00 -0.77 0.00 0.00 57.85 55.53 1dj3 n ARG 120 Cb 0.27 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1dj3 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dj3 s ALA 121 N -1.89 3.32 0.82 7.54 0.00 -0.88 -4.83 121.76 125.85 1dj3 s ALA 121 Ca 0.35 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 1dj3 s ALA 121 Cb 0.20 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 20.09 1dj3 s ALA 121 CO 0.30 -0.10 1.09 -1.01 0.00 0.00 0.00 175.76 176.04 1dj3 s HIS 122 N -0.26 2.63 -0.18 0.00 3.76 -1.21 -1.17 115.29 118.86 1dj3 s HIS 122 Ca 0.48 1.25 -0.07 0.00 -0.15 0.00 0.00 55.06 56.58 1dj3 s HIS 122 Cb -0.27 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 1dj3 s HIS 122 CO 0.33 -1.96 0.04 -0.51 -0.85 0.00 0.00 174.74 171.78 1dj3 s LEU 123 N -5.94 3.67 -0.43 0.89 1.43 0.29 -1.41 118.68 117.18 1dj3 s LEU 123 Ca 0.62 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 1dj3 s LEU 123 Cb -0.16 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.20 1dj3 s LEU 123 CO 0.55 0.17 0.30 -0.22 0.23 0.00 0.00 176.35 177.38 1dj3 s LEU 124 N 0.41 5.24 0.48 1.79 2.96 -0.44 -4.71 118.68 124.40 1dj3 s LEU 124 Ca 0.01 -1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 52.61 1dj3 s LEU 124 Cb -0.13 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 1dj3 s LEU 124 CO 0.01 -0.54 0.71 -0.36 -1.32 0.00 0.00 176.35 174.85 1dj3 s PHE 125 N 1.54 3.24 0.58 5.38 0.40 -1.26 -4.02 117.98 123.84 1dj3 s PHE 125 Ca 0.03 0.32 0.28 0.00 -0.60 0.00 0.00 56.93 56.96 1dj3 s PHE 125 Cb -0.22 -2.39 1.69 0.00 0.51 0.00 0.00 43.02 42.60 1dj3 s PHE 125 CO 0.05 -0.44 2.16 -0.44 0.70 0.00 0.00 175.22 177.25 1dj3 h ASP 126 N 0.29 0.00 -0.01 1.36 5.19 -2.00 -1.69 116.42 119.57 1dj3 h ASP 126 Ca -0.46 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 55.98 1dj3 h ASP 126 Cb 1.25 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.71 1dj3 h ASP 126 CO 0.58 0.00 -0.28 0.25 -3.12 0.00 0.00 179.24 176.67 1dj3 h LEU 127 N 0.00 -0.84 -1.34 1.55 5.85 -2.00 -1.07 115.31 117.46 1dj3 h LEU 127 Ca 0.05 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1dj3 h LEU 127 Cb 0.29 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1dj3 h LEU 127 CO -0.00 -0.35 0.51 0.45 -0.34 0.00 0.00 178.44 178.71 1dj3 h HIS 128 N -0.43 0.81 0.10 1.25 3.86 -1.65 -0.27 115.15 118.82 1dj3 h HIS 128 Ca 0.06 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1dj3 h HIS 128 Cb 0.51 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1dj3 h HIS 128 CO -0.32 0.41 -0.05 1.96 0.86 0.00 0.00 177.93 180.79 1dj3 h GLN 129 N 0.78 -0.12 -0.37 2.45 7.50 -1.24 0.25 115.11 124.35 1dj3 h GLN 129 Ca 0.34 0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.42 1dj3 h GLN 129 Cb 0.33 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 1dj3 h GLN 129 CO -0.12 -0.03 -0.13 1.79 -1.50 0.00 0.00 178.83 178.84 1dj3 h THR 130 N -0.19 1.25 -0.42 -0.54 1.35 -0.65 -2.42 112.91 111.30 1dj3 h THR 130 Ca -0.01 -1.13 -0.05 0.00 -0.55 0.00 0.00 66.41 64.67 1dj3 h THR 130 Cb 0.15 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 1dj3 h THR 130 CO 0.02 0.38 0.05 0.58 -0.25 0.00 0.00 175.52 176.29 1dj3 h VAL 131 N 0.59 1.25 -0.57 6.82 2.07 -0.89 -0.93 116.25 124.60 1dj3 h VAL 131 Ca 0.10 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.76 1dj3 h VAL 131 Cb 0.56 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1dj3 h VAL 131 CO 0.04 0.32 0.28 -0.78 0.02 0.00 0.00 177.57 177.44 1dj3 h ASP 132 N 0.55 0.37 -0.60 0.57 -0.00 -0.29 -2.05 116.42 114.97 1dj3 h ASP 132 Ca 0.12 0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 57.16 1dj3 h ASP 132 Cb 0.41 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.69 1dj3 h ASP 132 CO 0.01 0.25 0.24 1.23 -0.00 0.00 0.00 179.24 180.97 1dj3 h GLY 133 N 0.52 0.96 1.27 -0.78 0.00 -1.11 -2.73 103.07 101.21 1dj3 h GLY 133 Ca 0.26 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1dj3 h GLY 133 CO -0.20 0.49 0.37 1.41 0.00 0.00 0.00 176.54 178.61 1dj3 h LEU 134 N 0.83 0.50 -0.11 3.11 3.38 -0.53 -2.41 115.31 120.07 1dj3 h LEU 134 Ca 0.20 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1dj3 h LEU 134 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1dj3 h LEU 134 CO -0.02 0.33 0.04 0.03 0.09 0.00 0.00 178.44 178.92 1dj3 h ARG 135 N 0.57 0.10 -0.11 1.13 2.47 -1.07 -3.06 114.38 114.41 1dj3 h ARG 135 Ca 0.24 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.79 1dj3 h ARG 135 Cb 0.21 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1dj3 h ARG 135 CO -0.07 0.07 -0.63 0.93 0.56 0.00 0.00 179.97 180.83 1dj3 h GLU 136 N 0.10 0.40 -0.85 0.04 4.39 -1.52 -2.44 114.58 114.70 1dj3 h GLU 136 Ca 0.05 -0.28 0.16 0.00 0.34 0.00 0.00 59.36 59.63 1dj3 h GLU 136 Cb 0.02 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1dj3 h GLU 136 CO -0.05 0.90 0.56 0.00 -1.16 0.00 0.00 179.01 179.26 1dj3 h ALA 137 N 1.03 2.03 0.00 3.43 0.00 -1.34 -2.05 119.26 122.37 1dj3 h ALA 137 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1dj3 h ALA 137 Cb 1.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1dj3 h ALA 137 CO 0.11 -0.27 -1.93 -0.85 0.00 0.00 0.00 179.25 176.30 1dj3 n GLU 138 N -4.52 0.66 -0.40 0.00 0.28 -1.19 -4.86 120.64 110.60 1dj3 n GLU 138 Ca 0.17 -0.14 -0.19 0.00 -0.16 0.00 0.00 57.16 56.84 1dj3 n GLU 138 Cb 0.56 -1.56 0.17 0.00 1.43 0.00 0.00 31.44 32.04 1dj3 n GLU 138 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1dj3 n LEU 139 N -2.37 0.00 0.00 -1.84 0.00 -0.77 -4.73 117.00 107.29 1dj3 n LEU 139 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 56.01 55.31 1dj3 n LEU 139 Cb 0.64 -0.62 0.00 0.00 0.00 0.00 0.00 43.42 43.44 1dj3 n LEU 139 CO 0.45 -2.02 0.32 0.00 0.00 0.00 0.00 177.39 176.14 1dj3 n ALA 140 N -4.45 0.72 -1.20 1.96 0.00 -1.26 -4.73 120.51 111.55 1dj3 n ALA 140 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1dj3 n ALA 140 Cb 0.37 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1dj3 n ALA 140 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dj3 n ASN 141 N -1.04 -1.60 -4.76 0.00 2.85 -1.25 -5.03 115.26 104.44 1dj3 n ASN 141 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 1dj3 n ASN 141 Cb 0.11 -0.80 0.03 0.00 1.24 0.00 0.00 39.78 40.35 1dj3 n ASN 141 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1dj3 s SER 142 N -1.28 5.50 0.26 1.20 1.04 -1.26 -4.97 113.70 114.20 1dj3 s SER 142 Ca 0.00 2.58 0.12 0.00 0.48 0.00 0.00 55.95 59.13 1dj3 s SER 142 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 1dj3 s SER 142 CO 0.00 -1.40 -0.19 -0.36 0.98 0.00 0.00 173.24 172.27 1dj3 s PHE 143 N -1.41 2.33 0.00 5.02 0.08 -1.26 -4.94 117.98 117.80 1dj3 s PHE 143 Ca 0.70 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.43 1dj3 s PHE 143 Cb -0.36 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 1dj3 s PHE 143 CO 0.42 0.67 0.00 -0.89 -0.10 0.00 0.00 175.22 175.31 1dj3 n ILE 144 N -0.45 -0.15 0.00 0.64 2.08 -1.26 -5.01 119.36 115.21 1dj3 n ILE 144 Ca -0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1dj3 n ILE 144 Cb 0.59 -0.67 0.00 0.00 -0.75 0.00 0.00 39.64 38.81 1dj3 n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1dj3 n GLY 145 N 1.61 2.82 1.47 7.39 0.00 -1.26 -4.99 105.19 112.23 1dj3 n GLY 145 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1dj3 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dj3 n THR 146 N 0.00 1.66 -0.83 2.61 -2.24 -1.26 -4.67 114.28 109.54 1dj3 n THR 146 Ca 0.00 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 1dj3 n THR 146 Cb 0.00 -1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 66.81 1dj3 n THR 146 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dj3 n THR 147 N 1.39 2.68 0.89 4.28 -2.24 -1.26 -4.62 114.28 115.41 1dj3 n THR 147 Ca 0.00 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 1dj3 n THR 147 Cb 0.45 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 1dj3 n THR 147 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1dj3 n LYS 148 N 3.64 0.89 -1.93 -0.78 4.76 -1.26 -4.83 118.16 118.64 1dj3 n LYS 148 Ca 0.47 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.52 1dj3 n LYS 148 Cb 0.29 -1.07 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 1dj3 n LYS 148 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1dj3 s ARG 149 N 0.09 2.55 0.00 1.97 1.70 -1.26 -4.45 118.95 119.55 1dj3 s ARG 149 Ca 0.00 0.82 0.00 0.00 -0.47 0.00 0.00 55.73 56.08 1dj3 s ARG 149 Cb 0.00 -4.42 0.00 0.00 -0.57 0.00 0.00 34.95 29.96 1dj3 s ARG 149 CO 0.00 -2.81 0.83 0.41 -1.08 0.00 0.00 175.30 172.65 1dj3 n GLY 150 N 5.75 1.43 0.24 3.88 0.00 -1.26 -4.17 105.19 111.06 1dj3 n GLY 150 Ca 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 1dj3 n GLY 150 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dj3 h ILE 151 N 0.62 0.61 0.01 -0.61 1.08 -1.89 -2.20 117.51 115.13 1dj3 h ILE 151 Ca 0.00 -0.18 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1dj3 h ILE 151 Cb 0.65 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 1dj3 h ILE 151 CO 0.00 0.04 -0.45 1.23 -0.69 0.00 0.00 178.15 178.27 1dj3 h GLY 152 N -0.64 -1.17 1.01 5.37 0.00 -1.97 -2.32 103.07 103.35 1dj3 h GLY 152 Ca -0.05 0.65 0.09 0.00 0.00 0.00 0.00 47.33 48.02 1dj3 h GLY 152 CO 0.09 -0.28 0.44 -2.55 0.00 0.00 0.00 176.54 174.24 1dj3 h PRO 153 N -0.58 0.52 -0.20 4.80 0.11 -1.89 -2.45 132.00 132.32 1dj3 h PRO 153 Ca 0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1dj3 h PRO 153 Cb 0.61 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1dj3 h PRO 153 CO -0.30 0.35 0.01 0.00 -0.21 0.00 0.00 178.00 177.85 1dj3 h TYR 155 N 0.11 0.00 -0.08 0.00 0.05 -1.21 -1.84 116.97 113.99 1dj3 h TYR 155 Ca 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1dj3 h TYR 155 Cb 0.36 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 1dj3 h TYR 155 CO 0.03 0.11 -0.14 1.03 -1.05 0.00 0.00 178.16 178.14 1dj3 h SER 156 N 0.00 0.27 -0.89 3.88 0.87 -1.01 -1.46 113.55 115.21 1dj3 h SER 156 Ca -0.00 -0.54 0.08 0.00 -1.23 0.00 0.00 61.79 60.10 1dj3 h SER 156 Cb 0.32 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1dj3 h SER 156 CO 0.01 0.75 0.57 0.28 -0.53 0.00 0.00 176.83 177.92 1dj3 h SER 157 N -0.21 0.84 0.50 6.23 0.02 -0.61 0.38 113.55 120.70 1dj3 h SER 157 Ca 0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1dj3 h SER 157 Cb 0.70 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1dj3 h SER 157 CO 0.03 0.52 -0.24 0.50 -1.14 0.00 0.00 176.83 176.50 1dj3 h LYS 158 N 0.95 -0.65 -0.98 3.45 3.64 -1.26 0.18 116.57 121.90 1dj3 h LYS 158 Ca 0.39 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.88 1dj3 h LYS 158 Cb 0.29 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1dj3 h LYS 158 CO -0.16 -0.38 0.63 0.28 -2.27 0.00 0.00 179.45 177.55 1dj3 h VAL 159 N -0.77 1.08 0.00 2.00 2.07 -0.49 0.82 116.25 120.96 1dj3 h VAL 159 Ca -0.07 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1dj3 h VAL 159 Cb 0.56 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1dj3 h VAL 159 CO 0.11 0.21 0.00 0.74 0.02 0.00 0.00 177.57 178.65 1dj3 h THR 160 N 1.14 0.00 -0.28 2.57 2.02 -0.02 -3.46 112.91 114.88 1dj3 h THR 160 Ca 0.42 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 1dj3 h THR 160 Cb 0.18 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1dj3 h THR 160 CO -0.17 0.00 -0.11 0.54 0.37 0.00 0.00 175.52 176.15 1dj3 n ARG 161 N -3.05 -0.86 -0.02 6.66 1.74 0.55 -4.87 116.66 116.81 1dj3 n ARG 161 Ca 0.01 0.60 0.08 0.00 -0.77 0.00 0.00 57.85 57.76 1dj3 n ARG 161 Cb 0.30 -4.46 0.08 0.00 -1.02 0.00 0.00 32.46 27.36 1dj3 n ARG 161 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1dj3 n ASN 162 N -0.07 2.45 -4.90 0.55 0.23 -0.81 -5.00 115.26 107.70 1dj3 n ASN 162 Ca -0.06 -1.71 -0.28 0.00 -0.53 0.00 0.00 54.58 52.00 1dj3 n ASN 162 Cb 0.31 -0.03 0.05 0.00 -2.08 0.00 0.00 39.78 38.02 1dj3 n ASN 162 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1dj3 s GLY 163 N -1.32 1.62 0.23 4.83 0.00 -1.03 -4.68 107.32 106.97 1dj3 s GLY 163 Ca 0.20 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.41 1dj3 s GLY 163 CO 0.21 -0.21 0.34 1.08 0.00 0.00 0.00 173.10 174.51 1dj3 s LEU 164 N -5.23 4.27 0.37 0.66 1.02 -1.26 -4.94 118.68 113.57 1dj3 s LEU 164 Ca 0.57 0.04 0.06 0.00 0.02 0.00 0.00 54.13 54.82 1dj3 s LEU 164 Cb -0.11 -2.81 -0.07 0.00 0.02 0.00 0.00 46.19 43.22 1dj3 s LEU 164 CO 0.48 -0.06 0.03 -0.13 0.02 0.00 0.00 176.35 176.70 1dj3 s ARG 165 N -3.90 1.80 0.42 1.70 0.52 -1.26 -0.55 118.95 117.68 1dj3 s ARG 165 Ca 0.34 -2.01 0.14 0.00 -0.52 0.00 0.00 55.73 53.68 1dj3 s ARG 165 Cb -0.09 -1.27 1.00 0.00 0.52 0.00 0.00 34.95 35.11 1dj3 s ARG 165 CO 0.29 -0.11 1.93 0.28 0.02 0.00 0.00 175.30 177.71 1dj3 h VAL 166 N 1.95 0.83 0.00 3.52 2.07 -1.03 -1.86 116.25 121.73 1dj3 h VAL 166 Ca -0.42 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1dj3 h VAL 166 Cb 1.24 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1dj3 h VAL 166 CO 0.75 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 178.32 1dj3 h ASP 168 N 0.00 0.00 0.64 0.00 3.45 -1.64 -2.23 116.42 116.64 1dj3 h ASP 168 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1dj3 h ASP 168 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1dj3 h ASP 168 CO 0.01 0.07 0.00 0.18 -1.57 0.00 0.00 179.24 177.93 1dj3 n LEU 169 N -3.89 0.48 -0.04 1.55 4.77 -1.04 -1.72 117.00 117.10 1dj3 n LEU 169 Ca -0.02 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1dj3 n LEU 169 Cb 0.16 -0.56 0.45 0.00 -2.33 0.00 0.00 43.42 41.14 1dj3 n LEU 169 CO 0.30 -0.49 0.71 0.54 -1.33 0.00 0.00 177.39 177.12 1dj3 n ARG 170 N -2.03 0.21 -3.26 3.23 1.74 -0.84 -4.21 116.66 111.49 1dj3 n ARG 170 Ca 0.02 -0.09 -0.25 0.00 -0.77 0.00 0.00 57.85 56.77 1dj3 n ARG 170 Cb 0.21 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 1dj3 n ARG 170 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1dj3 n HIS 171 N -1.32 0.72 0.29 -1.55 8.25 -0.70 -4.93 115.22 115.99 1dj3 n HIS 171 Ca 0.08 -3.72 0.18 0.00 -0.26 0.00 0.00 57.72 54.01 1dj3 n HIS 171 Cb 0.32 -0.39 0.93 0.00 1.12 0.00 0.00 29.99 31.97 1dj3 n HIS 171 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1dj3 h MET 172 N 4.11 0.00 0.31 -0.41 2.86 -1.73 -1.67 114.93 118.39 1dj3 h MET 172 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1dj3 h MET 172 Cb 0.82 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1dj3 h MET 172 CO 0.56 0.00 -0.32 -0.44 1.06 0.00 0.00 176.91 177.77 1dj3 h ASP 173 N 0.00 -0.86 1.01 1.22 3.32 -1.91 -2.98 116.42 116.22 1dj3 h ASP 173 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1dj3 h ASP 173 Cb 0.11 0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1dj3 h ASP 173 CO 0.00 -0.45 -0.63 0.71 -1.72 0.00 0.00 179.24 177.15 1dj3 h THR 174 N -0.66 0.00 -0.95 0.35 1.35 -1.87 -3.36 112.91 107.76 1dj3 h THR 174 Ca -0.02 -0.64 0.17 0.00 -0.55 0.00 0.00 66.41 65.38 1dj3 h THR 174 Cb 0.61 1.25 -0.08 0.00 -1.73 0.00 0.00 68.15 68.19 1dj3 h THR 174 CO -0.07 0.00 0.60 0.15 -0.25 0.00 0.00 175.52 175.96 1dj3 h PHE 175 N 0.00 0.91 0.54 4.73 3.04 -1.15 -1.80 116.94 123.21 1dj3 h PHE 175 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1dj3 h PHE 175 Cb 0.82 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 1dj3 h PHE 175 CO 0.00 0.28 -0.46 0.78 -2.02 0.00 0.00 178.31 176.89 1dj3 h GLY 176 N 0.72 -1.23 1.26 2.40 0.00 -1.70 -0.23 103.07 104.28 1dj3 h GLY 176 Ca 0.51 0.55 0.00 0.00 0.00 0.00 0.00 47.33 48.39 1dj3 h GLY 176 CO -0.27 -0.38 0.00 2.09 0.00 0.00 0.00 176.54 177.98 1dj3 n ASP 177 N -5.24 0.00 -0.08 0.19 5.68 -1.01 -2.06 116.55 114.04 1dj3 n ASP 177 Ca -0.12 -0.31 -0.09 0.00 -0.50 0.00 0.00 54.79 53.77 1dj3 n ASP 177 Cb 0.43 -0.13 -0.15 0.00 -1.14 0.00 0.00 41.12 40.13 1dj3 n ASP 177 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1dj3 n LYS 178 N -1.13 0.67 0.11 0.11 5.02 -0.71 -4.23 118.16 118.00 1dj3 n LYS 178 Ca 0.12 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.23 1dj3 n LYS 178 Cb 0.10 -1.59 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 1dj3 n LYS 178 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1dj3 h LEU 179 N 0.00 0.73 -2.25 -0.35 5.85 -0.64 -3.32 115.31 115.32 1dj3 h LEU 179 Ca -0.47 -0.93 -0.01 0.00 0.84 0.00 0.00 57.88 57.32 1dj3 h LEU 179 Cb 2.16 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.95 1dj3 h LEU 179 CO 0.04 1.70 -0.04 -2.24 -0.34 0.00 0.00 178.44 177.56 1dj3 h ASP 180 N 0.06 0.00 -0.53 1.25 3.04 -1.63 -2.95 116.42 115.66 1dj3 h ASP 180 Ca -0.27 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.53 1dj3 h ASP 180 Cb 2.08 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 40.34 1dj3 h ASP 180 CO 0.23 0.04 0.34 1.62 -2.04 0.00 0.00 179.24 179.43 1dj3 h VAL 181 N 0.00 1.12 0.00 4.15 3.04 -1.74 0.22 116.25 123.04 1dj3 h VAL 181 Ca -0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1dj3 h VAL 181 Cb 0.10 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 29.74 1dj3 h VAL 181 CO 0.01 0.13 -0.20 0.00 -1.01 0.00 0.00 177.57 176.49 1dj3 n LEU 182 N -4.74 0.71 -0.01 3.16 -0.00 -1.13 -2.22 117.00 112.77 1dj3 n LEU 182 Ca 0.03 0.45 -0.17 0.00 -0.00 0.00 0.00 56.01 56.32 1dj3 n LEU 182 Cb 0.03 -0.29 -0.09 0.00 -0.00 0.00 0.00 43.42 43.07 1dj3 n LEU 182 CO 0.34 -0.12 0.28 -0.26 -0.00 0.00 0.00 177.39 177.64 1dj3 h PHE 183 N 0.00 0.79 -0.60 1.47 0.04 -1.15 -2.54 116.94 114.95 1dj3 h PHE 183 Ca 0.00 -0.38 -0.07 0.00 2.80 0.00 0.00 57.97 60.32 1dj3 h PHE 183 Cb 0.71 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1dj3 h PHE 183 CO 0.00 1.18 0.09 1.49 -0.60 0.00 0.00 178.31 180.47 1dj3 h GLU 184 N 0.18 1.01 0.81 1.51 4.81 -0.58 -2.85 114.58 119.47 1dj3 h GLU 184 Ca -0.06 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1dj3 h GLU 184 Cb 1.31 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1dj3 h GLU 184 CO 0.13 0.95 -0.49 0.22 -0.73 0.00 0.00 179.01 179.09 1dj3 h ASP 185 N 0.91 -1.25 -0.97 1.04 3.58 -1.46 -2.38 116.42 115.89 1dj3 h ASP 185 Ca 0.18 0.07 0.20 0.00 0.42 0.00 0.00 57.03 57.90 1dj3 h ASP 185 Cb 0.44 0.36 -0.09 0.00 1.72 0.00 0.00 39.33 41.77 1dj3 h ASP 185 CO 0.01 -0.76 0.62 0.00 -2.88 0.00 0.00 179.24 176.23 1dj3 h ALA 186 N -1.19 1.96 -0.45 -0.78 0.00 -1.48 -0.62 119.26 116.71 1dj3 h ALA 186 Ca -0.11 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1dj3 h ALA 186 Cb 0.98 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1dj3 h ALA 186 CO 0.11 -0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.11 1dj3 h ALA 187 N 1.62 0.60 -0.52 0.00 0.00 -1.30 -1.95 119.26 117.71 1dj3 h ALA 187 Ca 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1dj3 h ALA 187 Cb 1.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1dj3 h ALA 187 CO -0.28 0.35 0.33 0.00 0.00 0.00 0.00 179.25 179.65 1dj3 h ALA 188 N 0.94 1.60 -0.27 0.00 0.00 -0.60 -3.30 119.26 117.63 1dj3 h ALA 188 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dj3 h ALA 188 Cb 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dj3 h ALA 188 CO 0.01 0.36 0.00 -2.13 0.00 0.00 0.00 179.25 177.49 1dj3 n ARG 189 N -4.44 0.00 -3.33 0.00 3.00 -0.97 -4.85 116.66 106.07 1dj3 n ARG 189 Ca 0.05 0.46 -0.38 0.00 -0.00 0.00 0.00 57.85 57.97 1dj3 n ARG 189 Cb 0.06 -1.13 -0.06 0.00 0.00 0.00 0.00 32.46 31.33 1dj3 n ARG 189 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1dj3 s PHE 190 N -1.58 3.64 -0.39 -0.14 0.40 -0.75 -4.95 117.98 114.21 1dj3 s PHE 190 Ca 0.00 1.03 0.27 0.00 -0.60 0.00 0.00 56.93 57.63 1dj3 s PHE 190 Cb 0.00 -2.50 0.84 0.00 0.51 0.00 0.00 43.02 41.87 1dj3 s PHE 190 CO 0.00 0.38 1.77 1.05 0.70 0.00 0.00 175.22 179.11 1dj3 h GLU 191 N 5.72 0.00 -1.35 0.44 4.11 -1.88 -3.10 114.58 118.51 1dj3 h GLU 191 Ca -0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.93 1dj3 h GLU 191 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1dj3 h GLU 191 CO 0.69 0.00 0.05 0.41 0.07 0.00 0.00 179.01 180.23 1dj3 n GLY 192 N 0.68 2.38 3.45 1.06 0.00 -1.26 -4.60 105.19 106.90 1dj3 n GLY 192 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1dj3 n GLY 192 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dj3 s PHE 193 N -0.24 -1.06 -0.07 1.61 2.19 -1.17 -5.07 117.98 114.18 1dj3 s PHE 193 Ca 0.04 1.92 0.12 0.00 0.33 0.00 0.00 56.93 59.33 1dj3 s PHE 193 Cb 0.03 0.55 -0.17 0.00 -1.31 0.00 0.00 43.02 42.12 1dj3 s PHE 193 CO 0.00 -0.57 0.16 1.63 1.83 0.00 0.00 175.22 178.28 1dj3 n LYS 194 N 5.40 1.21 -2.82 10.12 4.76 -1.26 -4.61 118.16 130.96 1dj3 n LYS 194 Ca -0.10 -0.06 -0.02 0.00 -2.87 0.00 0.00 58.31 55.25 1dj3 n LYS 194 Cb 0.49 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1dj3 n LYS 194 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1dj3 n TYR 195 N -2.18 -3.40 -2.73 2.13 9.36 -1.26 -4.95 117.16 114.13 1dj3 n TYR 195 Ca -0.11 1.48 -0.39 0.00 3.32 0.00 0.00 57.90 62.21 1dj3 n TYR 195 Cb 0.60 -3.60 -0.06 0.00 -0.63 0.00 0.00 39.34 35.66 1dj3 n TYR 195 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1dj3 s SER 196 N -1.71 7.45 0.53 2.98 0.15 -1.26 -4.91 113.70 116.93 1dj3 s SER 196 Ca 0.05 1.94 0.29 0.00 0.70 0.00 0.00 55.95 58.94 1dj3 s SER 196 Cb -0.01 -2.60 1.48 0.00 -1.71 0.00 0.00 66.02 63.18 1dj3 s SER 196 CO 0.69 0.01 2.07 0.50 1.20 0.00 0.00 173.24 177.71 1dj3 h LYS 197 N 3.66 0.00 -0.01 5.44 3.64 -2.00 -1.86 116.57 125.44 1dj3 h LYS 197 Ca -0.46 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.70 1dj3 h LYS 197 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1dj3 h LYS 197 CO 0.66 0.11 -0.91 0.78 -2.27 0.00 0.00 179.45 177.82 1dj3 h GLY 198 N 1.02 0.44 2.00 5.01 0.00 -2.01 -2.98 103.07 106.55 1dj3 h GLY 198 Ca -0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1dj3 h GLY 198 CO 0.01 0.67 -0.29 -0.33 0.00 0.00 0.00 176.54 176.61 1dj3 h MET 199 N 0.23 0.00 -0.20 4.80 2.86 -1.73 -2.87 114.93 118.02 1dj3 h MET 199 Ca -0.07 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1dj3 h MET 199 Cb 1.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.20 1dj3 h MET 199 CO 0.16 0.29 -0.19 1.25 1.06 0.00 0.00 176.91 179.47 1dj3 h LEU 200 N 0.00 0.52 -0.77 1.22 5.85 -1.40 -2.96 115.31 117.76 1dj3 h LEU 200 Ca -0.00 -0.47 0.16 0.00 0.84 0.00 0.00 57.88 58.41 1dj3 h LEU 200 Cb 0.57 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.35 1dj3 h LEU 200 CO 0.04 0.88 0.26 0.11 -0.34 0.00 0.00 178.44 179.39 1dj3 h LYS 201 N 0.16 0.35 0.72 1.25 1.79 -1.36 -2.17 116.57 117.31 1dj3 h LYS 201 Ca 0.03 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1dj3 h LYS 201 Cb 0.73 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1dj3 h LYS 201 CO 0.05 0.23 -0.35 1.49 -1.08 0.00 0.00 179.45 179.79 1dj3 h GLU 202 N 0.36 -0.94 -0.97 3.15 4.22 -1.53 -2.43 114.58 116.44 1dj3 h GLU 202 Ca 0.44 0.06 0.31 0.00 0.08 0.00 0.00 59.36 60.25 1dj3 h GLU 202 Cb 0.73 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 30.04 1dj3 h GLU 202 CO -0.47 -0.60 0.44 0.93 -2.18 0.00 0.00 179.01 177.13 1dj3 h GLU 203 N -1.10 0.22 -0.01 1.92 4.39 -1.28 0.71 114.58 119.44 1dj3 h GLU 203 Ca -0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1dj3 h GLU 203 Cb 0.77 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1dj3 h GLU 203 CO 0.16 0.15 -0.00 0.28 -1.16 0.00 0.00 179.01 178.44 1dj3 h VAL 204 N 0.23 1.27 0.00 3.13 2.07 -1.32 -2.01 116.25 119.62 1dj3 h VAL 204 Ca 0.69 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1dj3 h VAL 204 Cb 1.57 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1dj3 h VAL 204 CO -0.66 0.21 -0.07 -0.33 0.02 0.00 0.00 177.57 176.74 1dj3 h GLU 205 N -0.33 0.00 0.18 1.57 3.07 -0.23 -0.65 114.58 118.20 1dj3 h GLU 205 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1dj3 h GLU 205 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1dj3 h GLU 205 CO 0.00 0.07 -0.09 -0.09 -1.40 0.00 0.00 179.01 177.51 1dj3 h ARG 206 N 0.00 -0.24 0.00 2.33 2.43 0.38 -3.15 114.38 116.14 1dj3 h ARG 206 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1dj3 h ARG 206 Cb 0.52 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1dj3 h ARG 206 CO 0.01 0.12 0.00 0.66 -1.51 0.00 0.00 179.97 179.25 1dj3 n TYR 207 N -4.93 0.31 0.06 2.20 4.02 -0.77 -1.80 117.16 116.25 1dj3 n TYR 207 Ca -0.07 0.12 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1dj3 n TYR 207 Cb 0.23 -0.69 0.01 0.00 -0.02 0.00 0.00 39.34 38.88 1dj3 n TYR 207 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1dj3 h LYS 208 N 0.00 0.38 0.08 -0.72 3.64 -1.16 0.19 116.57 118.97 1dj3 h LYS 208 Ca 0.00 -0.34 -0.27 0.00 -1.27 0.00 0.00 60.65 58.77 1dj3 h LYS 208 Cb 0.36 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1dj3 h LYS 208 CO 0.00 0.99 -1.14 -0.22 -2.27 0.00 0.00 179.45 176.81 1dj3 h LYS 209 N 0.24 0.52 -0.73 1.90 3.64 -1.37 -3.20 116.57 117.58 1dj3 h LYS 209 Ca -0.04 -0.66 -0.05 0.00 -1.27 0.00 0.00 60.65 58.63 1dj3 h LYS 209 Cb 1.38 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 33.38 1dj3 h LYS 209 CO 0.13 1.27 0.24 0.74 -2.27 0.00 0.00 179.45 179.56 1dj3 h PHE 210 N 0.24 1.15 -0.48 1.91 0.05 -1.27 -2.60 116.94 115.93 1dj3 h PHE 210 Ca -0.14 -0.11 0.03 0.00 3.82 0.00 0.00 57.97 61.57 1dj3 h PHE 210 Cb 1.81 -0.34 -0.03 0.00 2.00 0.00 0.00 35.95 39.40 1dj3 h PHE 210 CO 0.09 0.90 0.32 0.00 -0.18 0.00 0.00 178.31 179.44 1dj3 h ALA 211 N 1.18 1.77 -0.29 2.45 0.00 -0.98 -0.07 119.26 123.32 1dj3 h ALA 211 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1dj3 h ALA 211 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dj3 h ALA 211 CO -0.01 0.18 0.13 1.49 0.00 0.00 0.00 179.25 181.03 1dj3 h GLU 212 N 0.55 0.44 -0.13 0.00 4.81 -1.46 -1.64 114.58 117.15 1dj3 h GLU 212 Ca 0.19 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1dj3 h GLU 212 Cb 0.09 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1dj3 h GLU 212 CO -0.05 0.44 -0.50 0.00 -0.73 0.00 0.00 179.01 178.17 1dj3 h ARG 213 N 0.33 0.57 0.00 1.92 2.47 -1.39 -3.30 114.38 114.99 1dj3 h ARG 213 Ca 0.10 -0.44 -0.07 0.00 -1.26 0.00 0.00 59.98 58.31 1dj3 h ARG 213 Cb 0.16 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1dj3 h ARG 213 CO -0.01 1.06 -0.36 1.25 0.56 0.00 0.00 179.97 182.47 1dj3 h LEU 214 N 0.20 0.00 -0.89 3.04 5.85 -1.06 -3.36 115.31 119.09 1dj3 h LEU 214 Ca -0.02 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.87 1dj3 h LEU 214 Cb 1.13 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.99 1dj3 h LEU 214 CO 0.10 0.36 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.23 1dj3 h GLU 215 N 0.00 -0.01 0.00 1.25 4.22 -1.37 0.17 114.58 118.83 1dj3 h GLU 215 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1dj3 h GLU 215 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1dj3 h GLU 215 CO 0.05 -0.01 0.00 -1.00 -2.18 0.00 0.00 179.01 175.87 1dj3 h PRO 216 N -0.01 0.00 0.13 0.92 0.13 -1.81 -2.81 132.00 128.55 1dj3 h PRO 216 Ca 0.41 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.22 1dj3 h PRO 216 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1dj3 h PRO 216 CO -0.92 0.00 -1.60 0.74 -0.23 0.00 0.00 178.00 175.99 1dj3 h PHE 217 N 0.00 0.50 -3.60 1.56 0.04 -0.94 -3.47 116.94 111.04 1dj3 h PHE 217 Ca 0.00 -0.37 -0.56 0.00 2.80 0.00 0.00 57.97 59.84 1dj3 h PHE 217 Cb 0.21 -0.02 0.12 0.00 2.20 0.00 0.00 35.95 38.46 1dj3 h PHE 217 CO 0.00 1.45 0.51 -0.89 -0.60 0.00 0.00 178.31 178.78 1dj3 n ILE 218 N -3.47 2.60 -3.59 -0.55 5.41 -1.02 -1.61 119.36 117.14 1dj3 n ILE 218 Ca -0.19 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 62.98 1dj3 n ILE 218 Cb 1.05 -1.59 -0.04 0.00 -0.71 0.00 0.00 39.64 38.34 1dj3 n ILE 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1dj3 s ALA 219 N -1.20 -1.97 -0.85 -1.39 0.00 -1.10 -4.83 121.76 110.42 1dj3 s ALA 219 Ca 0.61 1.61 -0.25 0.00 0.00 0.00 0.00 51.96 53.93 1dj3 s ALA 219 Cb -0.50 -0.75 -0.08 0.00 0.00 0.00 0.00 23.12 21.78 1dj3 s ALA 219 CO 0.58 -0.34 2.14 0.34 0.00 0.00 0.00 175.76 178.47 1dj3 s ASP 220 N -1.26 4.63 0.21 0.00 -1.08 -1.26 -3.00 116.67 114.92 1dj3 s ASP 220 Ca 0.02 -0.34 -0.09 0.00 -0.52 0.00 0.00 52.55 51.62 1dj3 s ASP 220 Cb -0.01 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 1dj3 s ASP 220 CO -0.01 -3.20 1.72 0.74 0.52 0.00 0.00 175.17 174.94 1dj3 h THR 221 N 7.43 0.68 0.14 1.71 2.02 -1.93 -0.29 112.91 122.67 1dj3 h THR 221 Ca 0.05 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1dj3 h THR 221 Cb 1.01 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1dj3 h THR 221 CO 1.13 0.06 -0.07 0.58 0.37 0.00 0.00 175.52 177.59 1dj3 h VAL 222 N 0.33 0.89 0.20 3.16 2.07 -1.87 -1.94 116.25 119.09 1dj3 h VAL 222 Ca 0.33 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1dj3 h VAL 222 Cb 0.46 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1dj3 h VAL 222 CO -0.37 0.03 -0.10 -0.74 0.02 0.00 0.00 177.57 176.41 1dj3 h HIS 223 N -0.24 -0.25 -0.14 1.57 6.17 -1.86 -2.29 115.15 118.10 1dj3 h HIS 223 Ca -0.02 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.10 1dj3 h HIS 223 Cb 0.19 0.08 -0.07 0.00 2.52 0.00 0.00 27.41 30.14 1dj3 h HIS 223 CO -0.05 -0.11 -0.35 0.28 0.71 0.00 0.00 177.93 178.41 1dj3 h VAL 224 N -0.34 0.23 -0.09 5.26 2.07 -1.03 0.16 116.25 122.52 1dj3 h VAL 224 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1dj3 h VAL 224 Cb 0.26 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1dj3 h VAL 224 CO 0.05 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.43 1dj3 h LEU 225 N -0.43 -0.40 -0.79 2.57 3.38 -1.35 0.13 115.31 118.42 1dj3 h LEU 225 Ca 0.09 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1dj3 h LEU 225 Cb 0.58 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1dj3 h LEU 225 CO -0.37 -0.18 0.43 0.78 0.09 0.00 0.00 178.44 179.19 1dj3 h ASN 226 N -0.18 0.98 -0.61 -0.43 -0.26 -1.16 -1.79 115.58 112.13 1dj3 h ASN 226 Ca 0.08 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1dj3 h ASN 226 Cb 0.29 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 1dj3 h ASN 226 CO -0.19 0.79 0.32 -0.08 -1.06 0.00 0.00 177.43 177.21 1dj3 h GLU 227 N 1.09 0.86 -0.60 0.81 4.57 -0.33 -2.34 114.58 118.62 1dj3 h GLU 227 Ca 0.28 -0.11 0.09 0.00 -1.18 0.00 0.00 59.36 58.44 1dj3 h GLU 227 Cb 0.03 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.39 1dj3 h GLU 227 CO -0.04 0.66 0.24 0.77 -1.18 0.00 0.00 179.01 179.46 1dj3 h SER 228 N 0.82 0.26 -0.66 1.04 0.02 -0.15 -1.06 113.55 113.83 1dj3 h SER 228 Ca 0.21 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1dj3 h SER 228 Cb 0.07 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1dj3 h SER 228 CO -0.03 0.16 0.30 0.40 -1.14 0.00 0.00 176.83 176.52 1dj3 h ILE 229 N 0.44 1.23 0.00 3.27 2.04 -0.87 -0.83 117.51 122.78 1dj3 h ILE 229 Ca 0.30 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1dj3 h ILE 229 Cb 0.35 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1dj3 h ILE 229 CO -0.28 0.28 -0.24 0.03 0.00 0.00 0.00 178.15 177.93 1dj3 h ARG 230 N 0.97 0.00 -0.52 2.37 3.08 -0.72 -2.01 114.38 117.55 1dj3 h ARG 230 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1dj3 h ARG 230 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1dj3 h ARG 230 CO -0.03 0.24 0.00 1.04 -1.07 0.00 0.00 179.97 180.15 1dj3 n GLN 231 N -4.17 2.35 -2.83 0.04 6.02 -0.62 -4.94 117.38 113.23 1dj3 n GLN 231 Ca -0.02 -1.79 -0.21 0.00 -0.01 0.00 0.00 57.00 54.97 1dj3 n GLN 231 Cb 0.30 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 30.10 1dj3 n GLN 231 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1dj3 n LYS 232 N 0.83 -3.91 -2.93 -1.09 4.01 -0.75 -4.99 118.16 109.33 1dj3 n LYS 232 Ca 0.16 0.90 -0.41 0.00 -0.51 0.00 0.00 58.31 58.46 1dj3 n LYS 232 Cb 0.48 -5.64 -0.04 0.00 -0.51 0.00 0.00 35.03 29.32 1dj3 n LYS 232 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1dj3 s LYS 233 N -5.48 4.33 0.30 1.97 -0.14 -0.42 -5.02 119.74 115.29 1dj3 s LYS 233 Ca 0.22 0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 55.51 1dj3 s LYS 233 Cb -0.09 -3.54 -0.10 0.00 -1.68 0.00 0.00 37.83 32.42 1dj3 s LYS 233 CO 0.27 -0.22 1.24 0.15 -0.76 0.00 0.00 175.35 176.02 1dj3 s LYS 234 N 1.77 4.46 -0.04 1.68 1.02 -1.26 -4.51 119.74 122.86 1dj3 s LYS 234 Ca 0.38 2.06 -0.00 0.00 0.02 0.00 0.00 55.97 58.43 1dj3 s LYS 234 Cb -0.17 -3.12 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1dj3 s LYS 234 CO 0.14 -0.06 0.01 -1.50 -0.92 0.00 0.00 175.35 173.02 1dj3 s ILE 235 N -1.05 0.20 -0.22 2.17 1.10 0.42 -0.86 121.20 122.97 1dj3 s ILE 235 Ca 0.48 0.12 -0.05 0.00 -0.51 0.00 0.00 60.65 60.69 1dj3 s ILE 235 Cb -0.37 -0.33 -0.02 0.00 0.15 0.00 0.00 42.46 41.90 1dj3 s ILE 235 CO 0.48 0.18 -0.00 -0.22 -2.11 0.00 0.00 174.94 173.26 1dj3 s LEU 236 N 1.34 3.14 -0.16 8.50 2.96 0.14 -1.02 118.68 133.59 1dj3 s LEU 236 Ca -0.05 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 1dj3 s LEU 236 Cb -0.13 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1dj3 s LEU 236 CO -0.02 0.01 0.53 -0.69 -1.32 0.00 0.00 176.35 174.85 1dj3 s VAL 237 N 1.34 5.12 -0.38 1.68 1.01 0.39 -1.70 120.40 127.87 1dj3 s VAL 237 Ca 0.04 1.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 1dj3 s VAL 237 Cb -0.15 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1dj3 s VAL 237 CO 0.00 0.23 0.58 -0.70 0.00 0.00 0.00 175.10 175.22 1dj3 s GLU 238 N 1.22 3.51 0.36 2.72 2.12 -0.03 -0.40 118.70 128.21 1dj3 s GLU 238 Ca 0.26 -0.19 -0.27 0.00 0.36 0.00 0.00 54.97 55.13 1dj3 s GLU 238 Cb -0.16 -3.86 -0.10 0.00 0.26 0.00 0.00 34.13 30.28 1dj3 s GLU 238 CO 0.11 -0.79 1.28 0.20 -0.54 0.00 0.00 175.26 175.52 1dj3 s GLY 239 N 1.84 2.96 -0.03 -1.50 0.00 0.25 -4.05 107.32 106.79 1dj3 s GLY 239 Ca 0.21 1.21 -0.09 0.00 0.00 0.00 0.00 44.72 46.05 1dj3 s GLY 239 CO 0.15 1.82 0.46 -1.33 0.00 0.00 0.00 173.10 174.20 1dj3 h GLY 240 N 3.07 -0.32 0.00 0.20 0.00 -1.87 -3.46 103.07 100.68 1dj3 h GLY 240 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1dj3 h GLY 240 CO 0.64 -0.12 0.00 -1.06 0.00 0.00 0.00 176.54 176.00 1dj3 n GLN 241 N -4.12 1.69 -3.85 4.80 6.02 -1.26 -4.90 117.38 115.75 1dj3 n GLN 241 Ca -0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.75 1dj3 n GLN 241 Cb 0.12 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.37 1dj3 n GLN 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dj3 s ALA 242 N -2.00 3.99 -0.06 -1.58 0.00 -1.26 -3.58 121.76 117.27 1dj3 s ALA 242 Ca 0.00 -1.27 0.31 0.00 0.00 0.00 0.00 51.96 50.99 1dj3 s ALA 242 Cb 0.00 -1.73 1.10 0.00 0.00 0.00 0.00 23.12 22.49 1dj3 s ALA 242 CO 0.00 0.18 1.88 1.79 0.00 0.00 0.00 175.76 179.61 1dj3 h THR 243 N 1.10 0.00 0.00 0.00 1.35 -1.48 -2.10 112.91 111.78 1dj3 h THR 243 Ca -0.51 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1dj3 h THR 243 Cb 1.24 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1dj3 h THR 243 CO 0.59 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 176.09 1dj3 n MET 244 N -3.05 0.21 0.00 4.72 2.81 -1.05 -1.71 117.12 119.04 1dj3 n MET 244 Ca 0.02 0.09 0.09 0.00 -1.81 0.00 0.00 57.70 56.08 1dj3 n MET 244 Cb 0.36 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1dj3 n MET 244 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1dj3 n LEU 245 N -1.36 2.01 -4.70 4.03 7.94 -0.79 -1.87 117.00 122.25 1dj3 n LEU 245 Ca 0.09 -0.85 -0.43 0.00 -1.11 0.00 0.00 56.01 53.71 1dj3 n LEU 245 Cb 0.21 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.15 1dj3 n LEU 245 CO 0.18 0.37 0.94 -0.67 -1.11 0.00 0.00 177.39 177.11 1dj3 n ASP 246 N 0.31 2.89 0.16 1.96 -0.08 -0.69 -1.09 116.55 120.01 1dj3 n ASP 246 Ca 0.08 1.20 0.14 0.00 -1.51 0.00 0.00 54.79 54.71 1dj3 n ASP 246 Cb 0.40 -1.49 0.70 0.00 2.34 0.00 0.00 41.12 43.06 1dj3 n ASP 246 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1dj3 h ILE 247 N 2.66 0.81 0.00 5.18 6.09 -1.43 0.41 117.51 131.22 1dj3 h ILE 247 Ca -0.46 0.00 -0.44 0.00 -1.37 0.00 0.00 64.86 62.58 1dj3 h ILE 247 Cb 1.28 0.88 -0.07 0.00 0.47 0.00 0.00 36.82 39.38 1dj3 h ILE 247 CO 0.64 0.00 -2.49 0.47 -3.07 0.00 0.00 178.15 173.71 1dj3 n ASP 248 N -4.35 1.90 0.08 2.19 9.92 -1.26 -4.72 116.55 120.30 1dj3 n ASP 248 Ca 0.02 0.28 0.09 0.00 -0.53 0.00 0.00 54.79 54.66 1dj3 n ASP 248 Cb 0.31 -0.75 -0.03 0.00 -0.64 0.00 0.00 41.12 40.01 1dj3 n ASP 248 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1dj3 n PHE 249 N -4.11 0.87 -0.68 1.24 3.01 -1.22 -4.91 117.46 111.65 1dj3 n PHE 249 Ca -0.52 0.26 -0.14 0.00 1.01 0.00 0.00 57.45 58.06 1dj3 n PHE 249 Cb 0.88 -0.94 0.12 0.00 -0.01 0.00 0.00 39.48 39.53 1dj3 n PHE 249 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dj3 n GLY 250 N 1.23 -2.73 3.01 1.37 0.00 0.14 -4.85 105.19 103.36 1dj3 n GLY 250 Ca -0.02 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1dj3 n GLY 250 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dj3 n THR 251 N -3.67 3.44 -1.81 2.61 -2.24 -0.78 -4.89 114.28 106.93 1dj3 n THR 251 Ca 0.07 -3.19 -0.40 0.00 -2.27 0.00 0.00 64.05 58.27 1dj3 n THR 251 Cb 0.27 -2.51 0.02 0.00 -2.10 0.00 0.00 70.33 66.01 1dj3 n THR 251 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1dj3 s TYR 252 N 3.81 2.45 -1.54 4.78 5.04 -1.26 -0.29 117.35 130.33 1dj3 s TYR 252 Ca 0.50 1.29 0.29 0.00 -2.44 0.00 0.00 57.07 56.72 1dj3 s TYR 252 Cb 0.11 -3.88 1.37 0.00 0.35 0.00 0.00 41.96 39.91 1dj3 s TYR 252 CO -0.02 -2.87 1.95 -0.35 -1.34 0.00 0.00 175.55 172.92 1dj3 n PRO 253 N -0.32 0.56 -1.56 4.97 -0.04 -1.26 -4.35 135.00 132.99 1dj3 n PRO 253 Ca 0.06 -0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 1dj3 n PRO 253 Cb 0.42 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 1dj3 n PRO 253 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1dj3 n PHE 254 N -1.12 2.77 -3.99 0.54 3.01 0.60 -4.80 117.46 114.46 1dj3 n PHE 254 Ca 0.14 -2.27 -0.12 0.00 1.01 0.00 0.00 57.45 56.21 1dj3 n PHE 254 Cb 0.26 -2.17 -0.03 0.00 -0.01 0.00 0.00 39.48 37.53 1dj3 n PHE 254 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1dj3 n VAL 255 N 5.89 0.00 -3.81 -4.37 0.24 -1.25 -4.26 118.33 110.76 1dj3 n VAL 255 Ca 0.50 -1.48 -0.22 0.00 -2.04 0.00 0.00 64.34 61.09 1dj3 n VAL 255 Cb 0.41 0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 33.65 1dj3 n VAL 255 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1dj3 s THR 256 N -2.77 5.22 -1.72 3.34 -1.32 -0.25 -5.00 115.64 113.14 1dj3 s THR 256 Ca 0.24 -0.82 0.28 0.00 -1.21 0.00 0.00 61.69 60.18 1dj3 s THR 256 Cb -0.01 -3.85 0.64 0.00 -1.51 0.00 0.00 72.50 67.78 1dj3 s THR 256 CO 0.17 -0.37 1.98 -1.54 -2.21 0.00 0.00 174.62 172.66 1dj3 n SER 257 N -1.42 0.00 -5.00 8.08 3.41 -1.26 -3.25 113.62 114.18 1dj3 n SER 257 Ca -0.08 -0.51 -0.17 0.00 -0.26 0.00 0.00 58.87 57.85 1dj3 n SER 257 Cb 0.56 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1dj3 n SER 257 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1dj3 s SER 258 N -2.28 5.67 -0.65 4.04 0.15 -1.26 -4.87 113.70 114.51 1dj3 s SER 258 Ca 0.34 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 1dj3 s SER 258 Cb 0.19 -0.73 0.17 0.00 -1.71 0.00 0.00 66.02 63.94 1dj3 s SER 258 CO 0.37 -0.71 0.50 -0.44 1.20 0.00 0.00 173.24 174.15 1dj3 s SER 259 N -4.32 5.60 0.00 5.45 0.01 -1.26 -2.30 113.70 116.88 1dj3 s SER 259 Ca 0.53 -2.73 0.19 0.00 1.31 0.00 0.00 55.95 55.25 1dj3 s SER 259 Cb -0.10 -1.94 0.91 0.00 0.21 0.00 0.00 66.02 65.10 1dj3 s SER 259 CO 0.33 -0.44 1.59 -2.65 0.41 0.00 0.00 173.24 172.48 1dj3 n PRO 260 N 3.72 0.19 -1.24 12.44 -0.02 -1.26 -4.17 135.00 144.65 1dj3 n PRO 260 Ca 0.08 0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 61.39 1dj3 n PRO 260 Cb 0.40 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.59 1dj3 n PRO 260 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1dj3 s SER 261 N -2.70 1.85 0.28 2.55 1.04 -1.26 -4.56 113.70 110.89 1dj3 s SER 261 Ca 0.15 0.77 -0.03 0.00 0.48 0.00 0.00 55.95 57.32 1dj3 s SER 261 Cb 0.13 -1.15 0.37 0.00 0.10 0.00 0.00 66.02 65.47 1dj3 s SER 261 CO 0.31 -3.56 1.92 0.00 0.98 0.00 0.00 173.24 172.88 1dj3 h ALA 262 N -2.20 1.32 -0.85 5.32 0.00 -1.88 -1.50 119.26 119.47 1dj3 h ALA 262 Ca -0.48 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.48 1dj3 h ALA 262 Cb 1.30 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1dj3 h ALA 262 CO 0.44 0.58 0.55 0.78 0.00 0.00 0.00 179.25 181.61 1dj3 h GLY 263 N 1.15 1.03 2.00 0.00 0.00 -1.91 -0.52 103.07 104.82 1dj3 h GLY 263 Ca 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1dj3 h GLY 263 CO -0.05 0.07 -0.03 -1.33 0.00 0.00 0.00 176.54 175.20 1dj3 h GLY 264 N 0.59 0.00 2.00 4.60 0.00 -1.43 -1.23 103.07 107.60 1dj3 h GLY 264 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1dj3 h GLY 264 CO -0.18 0.00 -0.03 0.16 0.00 0.00 0.00 176.54 176.49 1dj3 h ILE 265 N 0.00 0.06 0.00 2.60 3.07 -1.16 0.10 117.51 122.19 1dj3 h ILE 265 Ca -0.00 -0.86 -0.00 0.00 1.55 0.00 0.00 64.86 65.55 1dj3 h ILE 265 Cb 0.11 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 1dj3 h ILE 265 CO 0.00 0.03 -0.00 0.00 -1.05 0.00 0.00 178.15 177.14 1dj3 h THR 267 N -1.00 0.51 0.00 0.00 1.35 -1.50 0.34 112.91 112.61 1dj3 h THR 267 Ca -0.00 -0.75 -0.06 0.00 -0.55 0.00 0.00 66.41 65.05 1dj3 h THR 267 Cb 0.71 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1dj3 h THR 267 CO 0.00 0.15 -1.36 0.61 -0.25 0.00 0.00 175.52 174.67 1dj3 n GLY 268 N -0.32 -1.29 0.04 5.82 0.00 0.34 -4.35 105.19 105.43 1dj3 n GLY 268 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 1dj3 n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dj3 n LEU 269 N -2.65 0.17 -0.12 0.99 4.77 -0.91 -0.46 117.00 118.78 1dj3 n LEU 269 Ca -0.05 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1dj3 n LEU 269 Cb 0.65 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1dj3 n LEU 269 CO 0.42 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1dj3 n GLY 270 N 2.58 1.10 3.54 -0.72 0.00 0.12 -4.36 105.19 107.45 1dj3 n GLY 270 Ca -0.12 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1dj3 n GLY 270 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dj3 s ILE 271 N -2.25 3.13 0.26 -0.61 -4.36 -1.22 -4.88 121.20 111.27 1dj3 s ILE 271 Ca 0.00 -1.39 -0.30 0.00 -0.26 0.00 0.00 60.65 58.70 1dj3 s ILE 271 Cb 0.00 -2.45 -0.10 0.00 1.25 0.00 0.00 42.46 41.16 1dj3 s ILE 271 CO 0.00 0.10 1.36 0.00 0.24 0.00 0.00 174.94 176.63 1dj3 s ALA 272 N -1.20 3.56 0.56 2.27 0.00 -1.26 -4.61 121.76 121.07 1dj3 s ALA 272 Ca 0.20 1.24 0.26 0.00 0.00 0.00 0.00 51.96 53.65 1dj3 s ALA 272 Cb -0.11 -3.51 1.51 0.00 0.00 0.00 0.00 23.12 21.02 1dj3 s ALA 272 CO 0.12 -0.64 2.07 -1.35 0.00 0.00 0.00 175.76 175.96 1dj3 h PRO 273 N 4.66 0.00 0.00 0.00 0.11 -1.98 -0.35 132.00 134.44 1dj3 h PRO 273 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1dj3 h PRO 273 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dj3 h PRO 273 CO 0.74 0.00 -0.13 0.07 -0.21 0.00 0.00 178.00 178.47 1dj3 h ARG 274 N 0.00 0.00 0.00 1.05 0.11 -2.04 -3.17 114.38 110.33 1dj3 h ARG 274 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1dj3 h ARG 274 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1dj3 h ARG 274 CO -0.00 0.13 -0.36 -0.24 0.10 0.00 0.00 179.97 179.60 1dj3 h VAL 275 N 0.00 0.00 -2.95 0.08 3.04 -1.43 -3.45 116.25 111.54 1dj3 h VAL 275 Ca -0.00 -0.60 -0.57 0.00 -1.01 0.00 0.00 66.70 64.52 1dj3 h VAL 275 Cb 0.79 1.37 -0.04 0.00 -2.01 0.00 0.00 31.29 31.40 1dj3 h VAL 275 CO 0.02 0.00 0.97 -0.63 -1.01 0.00 0.00 177.57 176.91 1dj3 s ILE 276 N -3.17 4.11 0.00 3.17 1.01 -1.20 -4.42 121.20 120.71 1dj3 s ILE 276 Ca 0.07 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.03 1dj3 s ILE 276 Cb 0.12 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1dj3 s ILE 276 CO 0.68 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1dj3 n GLY 277 N 4.01 0.69 3.76 6.18 0.00 0.48 -5.01 105.19 115.30 1dj3 n GLY 277 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1dj3 n GLY 277 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dj3 s ASP 278 N -1.00 5.97 -0.23 1.61 1.01 -1.26 -4.93 116.67 117.84 1dj3 s ASP 278 Ca 0.00 2.62 -0.02 0.00 0.71 0.00 0.00 52.55 55.86 1dj3 s ASP 278 Cb 0.00 -2.63 0.07 0.00 1.01 0.00 0.00 42.92 41.37 1dj3 s ASP 278 CO 0.00 -1.08 0.05 -0.76 0.21 0.00 0.00 175.17 173.59 1dj3 s LEU 279 N -2.88 1.49 -0.22 1.23 1.43 -1.26 -2.00 118.68 116.46 1dj3 s LEU 279 Ca 0.63 -1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 1dj3 s LEU 279 Cb -0.37 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1dj3 s LEU 279 CO 0.46 -0.34 0.72 -0.63 0.23 0.00 0.00 176.35 176.79 1dj3 s ILE 280 N 1.79 4.93 -0.33 -0.59 1.01 -0.28 -0.83 121.20 126.90 1dj3 s ILE 280 Ca 0.02 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.88 1dj3 s ILE 280 Cb -0.17 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1dj3 s ILE 280 CO -0.14 0.02 0.34 -0.83 0.00 0.00 0.00 174.94 174.33 1dj3 s GLY 281 N 1.31 1.91 -0.44 6.18 0.00 -1.09 -0.82 107.32 114.38 1dj3 s GLY 281 Ca 0.31 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 1dj3 s GLY 281 CO 0.09 0.95 1.20 0.14 0.00 0.00 0.00 173.10 175.49 1dj3 s VAL 282 N 1.97 4.16 -0.26 1.40 1.01 0.59 -1.56 120.40 127.71 1dj3 s VAL 282 Ca 0.11 1.20 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 1dj3 s VAL 282 Cb -0.17 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1dj3 s VAL 282 CO 0.11 -0.88 -0.02 -0.69 0.00 0.00 0.00 175.10 173.62 1dj3 s VAL 283 N 4.61 3.16 0.57 2.92 1.01 -0.08 -2.20 120.40 130.38 1dj3 s VAL 283 Ca 0.51 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1dj3 s VAL 283 Cb -0.09 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1dj3 s VAL 283 CO 0.30 0.16 1.07 -0.75 0.00 0.00 0.00 175.10 175.87 1dj3 s LYS 284 N 1.37 3.37 0.59 2.72 2.20 -1.26 -1.31 119.74 127.41 1dj3 s LYS 284 Ca 0.01 1.30 0.30 0.00 -0.36 0.00 0.00 55.97 57.22 1dj3 s LYS 284 Cb -0.17 -2.03 1.81 0.00 -1.51 0.00 0.00 37.83 35.93 1dj3 s LYS 284 CO -0.03 -0.78 2.24 0.00 -0.36 0.00 0.00 175.35 176.43 1dj3 h ALA 285 N 0.72 1.48 -2.60 3.13 0.00 -1.42 -3.43 119.26 117.14 1dj3 h ALA 285 Ca -0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1dj3 h ALA 285 Cb 1.23 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 1dj3 h ALA 285 CO 0.57 0.02 -0.61 1.52 0.00 0.00 0.00 179.25 180.74 1dj3 s TYR 286 N -4.57 0.31 0.25 0.00 1.13 -1.26 -4.05 117.35 109.15 1dj3 s TYR 286 Ca -0.05 -0.67 -0.12 0.00 -1.41 0.00 0.00 57.07 54.82 1dj3 s TYR 286 Cb 0.15 -0.22 -0.08 0.00 -1.10 0.00 0.00 41.96 40.71 1dj3 s TYR 286 CO 0.55 -0.32 0.61 0.95 -2.51 0.00 0.00 175.55 174.82 1dj3 s THR 287 N -2.67 4.84 -0.11 -3.49 -4.23 -1.05 -4.88 115.64 104.05 1dj3 s THR 287 Ca -0.05 0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1dj3 s THR 287 Cb -0.01 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.25 1dj3 s THR 287 CO -0.05 -0.06 0.11 0.42 -0.54 0.00 0.00 174.62 174.50 1dj3 s THR 288 N -1.82 -0.16 -0.21 3.99 -4.23 -1.26 -1.72 115.64 110.23 1dj3 s THR 288 Ca 0.48 0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1dj3 s THR 288 Cb -0.11 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 1dj3 s THR 288 CO 0.20 -0.03 0.01 -0.60 -0.54 0.00 0.00 174.62 173.66 1dj3 s ARG 289 N 2.20 3.60 -0.39 3.99 3.52 -0.76 -3.93 118.95 127.18 1dj3 s ARG 289 Ca 0.04 -0.52 -0.19 0.00 -0.13 0.00 0.00 55.73 54.92 1dj3 s ARG 289 Cb -0.14 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1dj3 s ARG 289 CO -0.07 -0.06 0.57 0.54 -0.81 0.00 0.00 175.30 175.48 1dj3 s VAL 290 N 1.21 4.93 0.00 7.11 0.11 -1.26 -2.00 120.40 130.50 1dj3 s VAL 290 Ca 0.03 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1dj3 s VAL 290 Cb -0.15 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 1dj3 s VAL 290 CO 0.01 -0.38 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 1dj3 n GLY 291 N 4.88 0.86 3.77 6.54 0.00 -1.26 -5.02 105.19 114.96 1dj3 n GLY 291 Ca -0.03 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1dj3 n GLY 291 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dj3 s SER 292 N 0.00 5.11 0.00 1.61 1.04 -1.26 -4.93 113.70 115.28 1dj3 s SER 292 Ca 0.00 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.43 1dj3 s SER 292 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1dj3 s SER 292 CO 0.00 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.20 1dj3 n GLY 293 N -0.51 1.64 3.74 7.32 0.00 -1.26 -4.94 105.19 111.17 1dj3 n GLY 293 Ca 0.10 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 1dj3 n GLY 293 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dj3 s PRO 294 N -1.74 4.33 -0.36 1.61 0.02 -1.26 -5.00 135.00 132.61 1dj3 s PRO 294 Ca 0.00 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.20 1dj3 s PRO 294 Cb 0.00 -3.17 0.15 0.00 0.02 0.00 0.00 34.50 31.50 1dj3 s PRO 294 CO 0.00 -0.35 0.32 0.12 -0.33 0.00 0.00 177.00 176.75 1dj3 s PHE 295 N 0.25 -0.01 0.06 6.54 2.19 -1.26 -5.04 117.98 120.71 1dj3 s PHE 295 Ca 0.59 -0.99 -0.38 0.00 0.33 0.00 0.00 56.93 56.49 1dj3 s PHE 295 Cb -0.39 -0.57 -0.21 0.00 -1.31 0.00 0.00 43.02 40.55 1dj3 s PHE 295 CO 0.39 -0.92 1.55 -1.35 1.83 0.00 0.00 175.22 176.72 1dj3 h PRO 296 N 7.20 -1.31 -0.17 10.12 0.11 -1.95 -3.08 132.00 142.93 1dj3 h PRO 296 Ca 0.03 0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1dj3 h PRO 296 Cb 1.03 0.30 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1dj3 h PRO 296 CO 0.24 -0.87 0.00 0.25 -0.21 0.00 0.00 178.00 177.41 1dj3 n THR 297 N -5.67 0.00 -1.70 -1.15 -2.24 -1.26 -4.92 114.28 97.34 1dj3 n THR 297 Ca -0.17 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 1dj3 n THR 297 Cb 0.53 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1dj3 n THR 297 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1dj3 n GLU 298 N -0.38 2.55 -3.61 -0.78 2.13 -1.17 -2.03 120.64 117.35 1dj3 n GLU 298 Ca 0.00 0.92 -0.40 0.00 0.66 0.00 0.00 57.16 58.34 1dj3 n GLU 298 Cb 0.04 -2.75 -0.11 0.00 0.27 0.00 0.00 31.44 28.90 1dj3 n GLU 298 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1dj3 s LEU 299 N 1.34 4.81 0.12 4.31 1.43 0.80 -4.91 118.68 126.58 1dj3 s LEU 299 Ca 0.78 -1.17 0.23 0.00 -1.03 0.00 0.00 54.13 52.94 1dj3 s LEU 299 Cb -0.57 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 43.76 1dj3 s LEU 299 CO 0.35 -0.43 1.09 0.18 0.23 0.00 0.00 176.35 177.78 1dj3 n LEU 300 N 4.95 0.69 0.00 1.79 4.32 -1.26 -4.31 117.00 123.19 1dj3 n LEU 300 Ca -0.11 0.18 -0.22 0.00 -0.02 0.00 0.00 56.01 55.83 1dj3 n LEU 300 Cb 0.45 -0.10 0.15 0.00 -1.62 0.00 0.00 43.42 42.29 1dj3 n LEU 300 CO 0.37 -0.07 0.64 0.61 -1.22 0.00 0.00 177.39 177.72 1dj3 n GLY 301 N 1.29 -0.85 0.40 -0.72 0.00 -1.26 -4.87 105.19 99.17 1dj3 n GLY 301 Ca 0.01 -1.79 0.23 0.00 0.00 0.00 0.00 46.02 44.47 1dj3 n GLY 301 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dj3 h GLU 302 N 0.00 0.39 -0.77 1.61 4.39 -1.99 0.26 114.58 118.48 1dj3 h GLU 302 Ca -0.33 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.47 1dj3 h GLU 302 Cb 0.97 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1dj3 h GLU 302 CO 0.26 0.26 0.51 0.93 -1.16 0.00 0.00 179.01 179.80 1dj3 h GLU 303 N 0.40 0.57 -0.13 2.33 5.08 -1.93 0.15 114.58 121.05 1dj3 h GLU 303 Ca 0.62 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.76 1dj3 h GLU 303 Cb 1.54 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.67 1dj3 h GLU 303 CO -0.34 0.37 -0.66 0.78 -1.00 0.00 0.00 179.01 178.16 1dj3 h GLY 304 N 0.58 0.75 1.28 -3.84 0.00 -0.66 -3.01 103.07 98.17 1dj3 h GLY 304 Ca 0.37 -1.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1dj3 h GLY 304 CO -0.14 0.94 0.38 -0.55 0.00 0.00 0.00 176.54 177.18 1dj3 h ASP 305 N 0.36 0.84 -0.36 0.19 5.19 -0.94 -0.87 116.42 120.84 1dj3 h ASP 305 Ca -0.04 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1dj3 h ASP 305 Cb 1.29 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1dj3 h ASP 305 CO 0.14 0.67 0.14 0.58 -3.12 0.00 0.00 179.24 177.65 1dj3 h VAL 306 N 0.95 1.19 0.52 -1.35 2.07 -0.77 -2.40 116.25 116.46 1dj3 h VAL 306 Ca 0.24 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1dj3 h VAL 306 Cb 0.02 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1dj3 h VAL 306 CO -0.04 0.21 -0.25 -0.07 0.02 0.00 0.00 177.57 177.44 1dj3 h LEU 307 N 0.44 -0.59 -0.71 2.57 3.38 -1.33 -2.34 115.31 116.73 1dj3 h LEU 307 Ca 0.12 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.21 1dj3 h LEU 307 Cb 0.20 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 40.97 1dj3 h LEU 307 CO -0.01 -0.34 -0.13 -0.09 0.09 0.00 0.00 178.44 177.97 1dj3 h ARG 308 N -0.83 0.03 -0.19 1.13 2.43 -1.14 0.35 114.38 116.15 1dj3 h ARG 308 Ca -0.07 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1dj3 h ARG 308 Cb 0.59 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1dj3 h ARG 308 CO 0.12 0.02 -0.17 0.87 -1.51 0.00 0.00 179.97 179.30 1dj3 h LYS 309 N 0.03 0.46 -0.66 0.20 1.57 -1.47 0.14 116.57 116.83 1dj3 h LYS 309 Ca 0.36 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1dj3 h LYS 309 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1dj3 h LYS 309 CO -0.70 0.80 0.19 0.00 -0.57 0.00 0.00 179.45 179.17 1dj3 h ALA 310 N 0.65 0.87 0.00 3.86 0.00 -0.82 -2.89 119.26 120.93 1dj3 h ALA 310 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1dj3 h ALA 310 Cb 0.70 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dj3 h ALA 310 CO 0.04 0.55 -0.29 0.78 0.00 0.00 0.00 179.25 180.34 1dj3 h GLY 311 N 0.97 0.00 -3.78 0.00 0.00 -0.38 -3.47 103.07 96.41 1dj3 h GLY 311 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.32 1dj3 h GLY 311 CO -0.00 0.00 -0.39 1.03 0.00 0.00 0.00 176.54 177.18 1dj3 n MET 312 N -2.51 -4.37 -2.09 4.80 0.00 0.13 -4.92 117.12 108.16 1dj3 n MET 312 Ca 0.04 0.47 -0.34 0.00 0.00 0.00 0.00 57.70 57.86 1dj3 n MET 312 Cb 0.48 -4.40 -0.04 0.00 0.00 0.00 0.00 33.22 29.25 1dj3 n MET 312 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1dj3 n GLU 313 N -2.99 2.07 -3.88 0.03 -0.58 0.25 -4.86 120.64 110.68 1dj3 n GLU 313 Ca -0.02 -2.63 -0.11 0.00 -0.42 0.00 0.00 57.16 53.98 1dj3 n GLU 313 Cb 0.54 -3.56 -0.11 0.00 -0.57 0.00 0.00 31.44 27.74 1dj3 n GLU 313 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1dj3 s PHE 314 N 8.26 0.02 0.22 -0.32 0.40 -1.26 -1.35 117.98 123.94 1dj3 s PHE 314 Ca 0.62 -0.04 -0.32 0.00 -0.60 0.00 0.00 56.93 56.60 1dj3 s PHE 314 Cb 0.03 -0.04 -0.14 0.00 0.51 0.00 0.00 43.02 43.38 1dj3 s PHE 314 CO 0.11 -0.18 1.43 0.41 0.70 0.00 0.00 175.22 177.69 1dj3 n GLY 315 N 2.09 0.81 0.26 4.36 0.00 0.20 -4.76 105.19 108.16 1dj3 n GLY 315 Ca -0.19 0.53 0.11 0.00 0.00 0.00 0.00 46.02 46.47 1dj3 n GLY 315 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1dj3 h THR 316 N 3.16 0.78 0.00 2.61 1.35 -1.96 0.70 112.91 119.54 1dj3 h THR 316 Ca -0.45 -0.38 -0.20 0.00 -0.55 0.00 0.00 66.41 64.83 1dj3 h THR 316 Cb 1.27 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.89 1dj3 h THR 316 CO 0.78 0.10 -1.68 0.41 -0.25 0.00 0.00 175.52 174.88 1dj3 n THR 317 N -3.99 0.67 0.50 6.82 -1.04 -1.26 -4.72 114.28 111.27 1dj3 n THR 317 Ca -0.02 -0.19 0.13 0.00 -2.04 0.00 0.00 64.05 61.93 1dj3 n THR 317 Cb 0.19 -1.53 0.31 0.00 -1.82 0.00 0.00 70.33 67.48 1dj3 n THR 317 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1dj3 h THR 318 N -0.36 0.00 0.00 12.58 1.35 -1.95 -3.47 112.91 121.05 1dj3 h THR 318 Ca -0.30 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1dj3 h THR 318 Cb 1.30 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1dj3 h THR 318 CO -0.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.72 1dj3 n GLY 319 N 1.26 0.08 3.74 5.82 0.00 0.24 -4.80 105.19 111.52 1dj3 n GLY 319 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1dj3 n GLY 319 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dj3 s ARG 320 N -1.50 4.58 0.09 1.61 0.52 -1.26 -4.27 118.95 118.71 1dj3 s ARG 320 Ca 0.00 1.76 -0.31 0.00 -0.52 0.00 0.00 55.73 56.66 1dj3 s ARG 320 Cb 0.00 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 32.13 1dj3 s ARG 320 CO 0.00 0.06 1.51 -1.25 0.02 0.00 0.00 175.30 175.64 1dj3 s PRO 321 N -0.49 4.25 0.18 3.54 0.04 -1.26 -0.63 135.00 140.64 1dj3 s PRO 321 Ca 0.49 2.19 -0.28 0.00 0.04 0.00 0.00 61.00 63.44 1dj3 s PRO 321 Cb -0.30 -3.40 -0.08 0.00 0.04 0.00 0.00 34.50 30.76 1dj3 s PRO 321 CO 0.36 -0.59 0.88 1.03 0.04 0.00 0.00 177.00 178.72 1dj3 s ARG 322 N 1.84 4.71 0.46 4.56 0.52 -0.46 -4.91 118.95 125.67 1dj3 s ARG 322 Ca 0.68 1.35 -0.24 0.00 -0.52 0.00 0.00 55.73 57.00 1dj3 s ARG 322 Cb -0.38 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.72 1dj3 s ARG 322 CO 0.30 0.46 1.33 1.03 0.02 0.00 0.00 175.30 178.44 1dj3 s ARG 323 N -0.86 3.65 0.37 3.54 0.52 -0.85 -4.87 118.95 120.46 1dj3 s ARG 323 Ca 0.40 2.20 0.05 0.00 -0.52 0.00 0.00 55.73 57.86 1dj3 s ARG 323 Cb -0.24 -2.55 -0.06 0.00 0.52 0.00 0.00 34.95 32.61 1dj3 s ARG 323 CO 0.29 -0.77 0.04 0.00 0.02 0.00 0.00 175.30 174.88 1dj3 n GLY 325 N -0.84 0.22 3.84 0.00 0.00 -0.70 -0.14 105.19 107.58 1dj3 n GLY 325 Ca -0.05 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1dj3 n GLY 325 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dj3 s TRP 326 N -2.12 3.36 0.10 1.61 0.52 -0.86 -2.53 118.94 119.03 1dj3 s TRP 326 Ca 0.27 1.37 -0.31 0.00 0.02 0.00 0.00 56.10 57.45 1dj3 s TRP 326 Cb -0.00 -2.81 -0.09 0.00 -1.15 0.00 0.00 33.47 29.42 1dj3 s TRP 326 CO -0.01 -0.94 1.68 -1.17 0.02 0.00 0.00 176.95 176.54 1dj3 s LEU 327 N -5.26 4.37 -0.52 2.99 2.96 -1.26 -3.92 118.68 118.05 1dj3 s LEU 327 Ca 0.57 2.59 -0.19 0.00 -0.22 0.00 0.00 54.13 56.87 1dj3 s LEU 327 Cb -0.13 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.06 1dj3 s LEU 327 CO 0.53 -0.91 0.64 -0.62 -1.32 0.00 0.00 176.35 174.67 1dj3 s ASP 328 N 2.23 6.22 0.21 3.68 3.68 -1.26 -1.72 116.67 129.71 1dj3 s ASP 328 Ca 0.75 -0.96 0.10 0.00 2.13 0.00 0.00 52.55 54.57 1dj3 s ASP 328 Cb -0.42 -2.29 0.10 0.00 -1.45 0.00 0.00 42.92 38.85 1dj3 s ASP 328 CO 0.33 -0.92 1.45 0.40 0.13 0.00 0.00 175.17 176.56 1dj3 h ILE 329 N 5.87 1.44 0.53 4.11 2.04 -1.37 -2.28 117.51 127.86 1dj3 h ILE 329 Ca -0.28 -2.67 -0.02 0.00 1.00 0.00 0.00 64.86 62.89 1dj3 h ILE 329 Cb 1.09 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1dj3 h ILE 329 CO 0.98 0.74 -0.31 0.58 0.00 0.00 0.00 178.15 180.14 1dj3 h VAL 330 N 0.00 0.36 -0.85 1.67 2.07 -1.74 0.26 116.25 118.02 1dj3 h VAL 330 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1dj3 h VAL 330 Cb 1.42 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1dj3 h VAL 330 CO 0.10 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.09 1dj3 h ALA 331 N -0.37 1.10 -0.16 1.67 0.00 -1.91 -1.98 119.26 117.61 1dj3 h ALA 331 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1dj3 h ALA 331 Cb 0.64 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dj3 h ALA 331 CO 0.08 0.67 0.08 1.25 0.00 0.00 0.00 179.25 181.32 1dj3 h LEU 332 N 1.22 0.22 -0.50 0.00 5.85 -1.15 0.16 115.31 121.11 1dj3 h LEU 332 Ca 0.29 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1dj3 h LEU 332 Cb 0.13 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1dj3 h LEU 332 CO -0.04 0.29 0.32 0.50 -0.34 0.00 0.00 178.44 179.18 1dj3 h LYS 333 N 0.13 0.64 -0.78 1.25 3.64 -0.34 0.39 116.57 121.49 1dj3 h LYS 333 Ca 0.06 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1dj3 h LYS 333 Cb 0.13 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1dj3 h LYS 333 CO -0.01 0.42 0.51 -0.92 -2.27 0.00 0.00 179.45 177.18 1dj3 h TYR 334 N 0.66 0.95 -0.41 1.91 3.20 -1.19 -2.05 116.97 120.04 1dj3 h TYR 334 Ca 0.19 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1dj3 h TYR 334 Cb -0.06 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 1dj3 h TYR 334 CO -0.05 0.57 -0.26 0.00 -1.64 0.00 0.00 178.16 176.79 1dj3 h ASP 337 N 0.96 -0.22 -0.98 0.00 3.45 -1.37 0.26 116.42 118.52 1dj3 h ASP 337 Ca 0.35 -0.09 0.19 0.00 0.43 0.00 0.00 57.03 57.90 1dj3 h ASP 337 Cb 0.11 0.06 -0.11 0.00 -0.56 0.00 0.00 39.33 38.83 1dj3 h ASP 337 CO -0.15 -0.04 0.58 0.40 -1.57 0.00 0.00 179.24 178.45 1dj3 h ILE 338 N -0.39 0.69 0.02 0.35 2.04 -1.35 -3.07 117.51 115.80 1dj3 h ILE 338 Ca -0.03 -0.25 -0.37 0.00 1.00 0.00 0.00 64.86 65.22 1dj3 h ILE 338 Cb 0.30 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 1dj3 h ILE 338 CO 0.04 0.13 -2.28 0.59 0.00 0.00 0.00 178.15 176.64 1dj3 n ASN 339 N -4.80 1.23 -1.71 1.72 3.02 -1.00 -4.78 115.26 108.94 1dj3 n ASN 339 Ca 0.23 0.03 -0.02 0.00 -0.03 0.00 0.00 54.58 54.78 1dj3 n ASN 339 Cb 0.56 0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.76 1dj3 n ASN 339 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dj3 n GLY 340 N 1.97 0.54 3.74 7.41 0.00 0.91 -4.90 105.19 114.87 1dj3 n GLY 340 Ca -0.36 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1dj3 n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dj3 s PHE 341 N -3.06 3.15 0.01 1.61 0.08 -1.23 -4.64 117.98 113.90 1dj3 s PHE 341 Ca 0.06 1.18 -0.18 0.00 0.12 0.00 0.00 56.93 58.11 1dj3 s PHE 341 Cb -0.01 -3.69 -0.29 0.00 -0.57 0.00 0.00 43.02 38.46 1dj3 s PHE 341 CO 0.12 -2.15 1.04 0.66 -0.10 0.00 0.00 175.22 174.78 1dj3 h SER 342 N 4.98 0.70 -0.96 1.36 4.64 -1.35 -3.48 113.55 119.44 1dj3 h SER 342 Ca -0.46 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.01 1dj3 h SER 342 Cb 1.22 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1dj3 h SER 342 CO 0.76 1.48 0.00 -1.54 -0.87 0.00 0.00 176.83 176.66 1dj3 n SER 343 N -3.97 0.00 -3.82 4.97 3.41 -1.23 -4.44 113.62 108.54 1dj3 n SER 343 Ca -0.13 -0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 57.87 1dj3 n SER 343 Cb 0.89 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.76 1dj3 n SER 343 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dj3 s LEU 344 N 0.00 1.23 -0.32 1.04 1.43 -0.36 -2.66 118.68 119.04 1dj3 s LEU 344 Ca 0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1dj3 s LEU 344 Cb 0.00 1.11 0.09 0.00 0.03 0.00 0.00 46.19 47.42 1dj3 s LEU 344 CO 0.00 -0.63 0.04 0.21 0.23 0.00 0.00 176.35 176.20 1dj3 s ASN 345 N -2.33 4.48 -0.64 2.29 3.04 -0.60 -1.22 114.94 119.95 1dj3 s ASN 345 Ca -0.02 -1.88 -0.26 0.00 0.04 0.00 0.00 52.86 50.75 1dj3 s ASN 345 Cb 0.01 -1.40 0.04 0.00 -1.54 0.00 0.00 41.25 38.36 1dj3 s ASN 345 CO -0.06 -0.36 1.12 -0.22 -3.04 0.00 0.00 177.10 174.54 1dj3 s LEU 346 N 1.13 3.70 0.61 3.21 1.98 0.11 -0.91 118.68 128.52 1dj3 s LEU 346 Ca 0.07 -0.41 -0.00 0.00 -2.89 0.00 0.00 54.13 50.90 1dj3 s LEU 346 Cb -0.19 -2.74 0.06 0.00 0.66 0.00 0.00 46.19 43.98 1dj3 s LEU 346 CO -0.12 -1.53 0.86 0.42 -1.89 0.00 0.00 176.35 174.09 1dj3 s THR 347 N 4.79 2.50 -1.54 3.68 -4.23 -0.43 -0.36 115.64 120.06 1dj3 s THR 347 Ca 0.33 -0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1dj3 s THR 347 Cb -0.11 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.84 1dj3 s THR 347 CO 0.17 0.00 0.17 0.29 -0.54 0.00 0.00 174.62 174.72 1dj3 n LYS 348 N -2.53 -1.62 0.14 3.99 5.02 -1.05 -1.31 118.16 120.80 1dj3 n LYS 348 Ca 0.09 0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.58 1dj3 n LYS 348 Cb 0.60 -3.95 0.13 0.00 -0.02 0.00 0.00 35.03 31.79 1dj3 n LYS 348 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1dj3 h LEU 349 N -1.73 0.00 -1.66 -0.35 5.85 -1.29 -3.09 115.31 113.04 1dj3 h LEU 349 Ca -0.65 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1dj3 h LEU 349 Cb 1.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1dj3 h LEU 349 CO 0.70 0.59 0.00 -2.24 -0.34 0.00 0.00 178.44 177.15 1dj3 h ASP 350 N 0.00 0.00 1.33 1.25 -0.00 -1.84 -2.53 116.42 114.64 1dj3 h ASP 350 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.95 1dj3 h ASP 350 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.55 1dj3 h ASP 350 CO 0.08 0.00 -0.37 0.58 -0.00 0.00 0.00 179.24 179.53 1dj3 h VAL 351 N 0.00 0.69 0.00 4.15 2.07 -1.89 -3.18 116.25 118.09 1dj3 h VAL 351 Ca 0.00 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1dj3 h VAL 351 Cb 0.22 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1dj3 h VAL 351 CO 0.00 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.13 1dj3 n LEU 352 N -3.28 0.00 -4.77 2.57 4.77 -0.95 -4.86 117.00 110.47 1dj3 n LEU 352 Ca 0.01 0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 1dj3 n LEU 352 Cb 0.61 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1dj3 n LEU 352 CO 0.38 -0.03 1.09 -0.44 -1.33 0.00 0.00 177.39 177.06 1dj3 s SER 353 N -2.72 6.30 0.00 -1.43 0.01 -1.20 -2.54 113.70 112.12 1dj3 s SER 353 Ca 0.22 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.44 1dj3 s SER 353 Cb 0.18 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1dj3 s SER 353 CO 0.45 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1dj3 n GLY 354 N 0.53 3.30 3.66 3.44 0.00 0.19 -4.93 105.19 111.39 1dj3 n GLY 354 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1dj3 n GLY 354 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dj3 s LEU 355 N 0.00 4.13 0.29 0.99 1.43 -1.05 -4.87 118.68 119.59 1dj3 s LEU 355 Ca 0.00 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1dj3 s LEU 355 Cb 0.00 -3.39 0.44 0.00 0.03 0.00 0.00 46.19 43.27 1dj3 s LEU 355 CO 0.00 -0.55 1.81 1.55 0.23 0.00 0.00 176.35 179.39 1dj3 h PRO 356 N 7.44 0.69 -4.57 1.29 0.13 -1.90 -2.69 132.00 132.40 1dj3 h PRO 356 Ca -0.24 -0.17 -0.36 0.00 -0.87 0.00 0.00 66.00 64.37 1dj3 h PRO 356 Cb 1.09 -0.09 -0.28 0.00 0.13 0.00 0.00 31.00 31.86 1dj3 h PRO 356 CO 0.91 0.70 -0.77 -1.21 -0.23 0.00 0.00 178.00 177.40 1dj3 s GLU 357 N -5.00 0.59 -0.19 0.86 2.02 -1.26 -1.44 118.70 114.28 1dj3 s GLU 357 Ca -0.09 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 1dj3 s GLU 357 Cb 0.15 -0.56 0.06 0.00 0.10 0.00 0.00 34.13 33.88 1dj3 s GLU 357 CO 0.79 0.15 -0.01 0.96 0.02 0.00 0.00 175.26 177.18 1dj3 s ILE 358 N -0.30 0.89 0.39 -1.63 -4.36 -1.01 -4.87 121.20 110.31 1dj3 s ILE 358 Ca 0.02 -0.72 -0.08 0.00 -0.26 0.00 0.00 60.65 59.61 1dj3 s ILE 358 Cb -0.04 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.36 1dj3 s ILE 358 CO -0.00 -0.10 0.72 -0.54 0.24 0.00 0.00 174.94 175.25 1dj3 s LYS 359 N 1.70 3.68 -0.07 0.37 1.02 -1.26 -1.74 119.74 123.43 1dj3 s LYS 359 Ca -0.02 0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.25 1dj3 s LYS 359 Cb -0.17 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1dj3 s LYS 359 CO -0.07 -0.01 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.77 1dj3 s LEU 360 N -4.00 1.27 -0.40 3.17 1.43 -1.12 -4.22 118.68 114.82 1dj3 s LEU 360 Ca 0.48 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 1dj3 s LEU 360 Cb -0.10 -0.63 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 1dj3 s LEU 360 CO 0.34 -0.07 1.56 -0.83 0.23 0.00 0.00 176.35 177.59 1dj3 s GLY 361 N 1.17 0.95 -0.18 -3.19 0.00 -0.70 -2.25 107.32 103.12 1dj3 s GLY 361 Ca -0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 1dj3 s GLY 361 CO -0.02 2.97 -0.27 -0.62 0.00 0.00 0.00 173.10 175.16 1dj3 n VAL 362 N 7.20 1.26 -3.81 1.40 0.31 -0.95 -0.90 118.33 122.84 1dj3 n VAL 362 Ca 0.19 -0.12 -0.21 0.00 -0.01 0.00 0.00 64.34 64.18 1dj3 n VAL 362 Cb 0.48 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 1dj3 n VAL 362 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1dj3 s SER 363 N -6.57 5.10 -0.15 4.52 0.01 -1.17 -4.36 113.70 111.08 1dj3 s SER 363 Ca -0.27 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 1dj3 s SER 363 Cb 0.09 -0.82 0.04 0.00 0.21 0.00 0.00 66.02 65.53 1dj3 s SER 363 CO 0.36 -0.42 -0.03 -0.31 0.41 0.00 0.00 173.24 173.25 1dj3 s TYR 364 N -2.37 1.36 0.07 2.43 1.51 -1.26 -2.52 117.35 116.56 1dj3 s TYR 364 Ca 0.42 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1dj3 s TYR 364 Cb -0.04 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1dj3 s TYR 364 CO 0.26 -0.55 0.09 -0.80 -1.11 0.00 0.00 175.55 173.45 1dj3 s ASN 365 N 1.75 5.63 0.97 2.29 -0.87 -0.39 -1.01 114.94 123.31 1dj3 s ASN 365 Ca 0.02 0.04 -0.13 0.00 -1.57 0.00 0.00 52.86 51.22 1dj3 s ASN 365 Cb -0.15 -1.55 0.17 0.00 -0.02 0.00 0.00 41.25 39.70 1dj3 s ASN 365 CO -0.07 0.19 1.12 -1.10 -2.57 0.00 0.00 177.10 174.66 1dj3 s GLN 366 N -2.31 0.68 0.54 -0.60 -1.52 -0.31 -1.18 119.66 114.95 1dj3 s GLN 366 Ca 0.29 0.34 0.34 0.00 -1.95 0.00 0.00 55.36 54.39 1dj3 s GLN 366 Cb -0.12 -1.78 1.87 0.00 -0.22 0.00 0.00 33.01 32.76 1dj3 s GLN 366 CO 0.22 -2.52 2.05 0.00 -0.25 0.00 0.00 175.29 174.78 1dj3 h MET 367 N -1.74 0.00 0.00 2.91 -0.00 -1.92 -2.53 114.93 111.66 1dj3 h MET 367 Ca -0.52 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 58.84 1dj3 h MET 367 Cb 1.33 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.87 1dj3 h MET 367 CO 0.59 0.00 -2.27 -0.40 -0.00 0.00 0.00 176.91 174.82 1dj3 n ASP 368 N -2.75 2.13 0.00 -0.10 5.68 -1.26 -5.03 116.55 115.22 1dj3 n ASP 368 Ca -0.02 -0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1dj3 n ASP 368 Cb 0.10 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1dj3 n ASP 368 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dj3 n GLY 369 N 2.39 0.24 3.45 6.12 0.00 -0.95 -5.14 105.19 111.29 1dj3 n GLY 369 Ca -0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1dj3 n GLY 369 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dj3 s GLU 370 N 0.00 3.64 0.13 1.61 0.41 -1.26 -4.75 118.70 118.48 1dj3 s GLU 370 Ca 0.00 -0.49 -0.31 0.00 -0.41 0.00 0.00 54.97 53.76 1dj3 s GLU 370 Cb 0.00 -3.24 -0.09 0.00 -1.78 0.00 0.00 34.13 29.02 1dj3 s GLU 370 CO 0.00 -0.12 1.53 0.21 -0.49 0.00 0.00 175.26 176.40 1dj3 s LYS 371 N 1.39 4.24 0.06 1.61 2.20 -1.26 -1.17 119.74 126.82 1dj3 s LYS 371 Ca 0.05 2.27 -0.21 0.00 -0.36 0.00 0.00 55.97 57.72 1dj3 s LYS 371 Cb -0.15 -3.27 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1dj3 s LYS 371 CO 0.02 -0.59 0.63 -0.51 -0.36 0.00 0.00 175.35 174.55 1dj3 s LEU 372 N 1.44 4.50 0.33 5.43 1.43 -0.18 -4.97 118.68 126.66 1dj3 s LEU 372 Ca 0.69 1.32 0.17 0.00 -1.03 0.00 0.00 54.13 55.29 1dj3 s LEU 372 Cb -0.41 -3.01 0.16 0.00 0.03 0.00 0.00 46.19 42.96 1dj3 s LEU 372 CO 0.31 0.18 1.50 1.56 0.23 0.00 0.00 176.35 180.13 1dj3 h GLN 373 N 4.96 0.00 -4.14 1.70 7.50 -1.94 -3.43 115.11 119.75 1dj3 h GLN 373 Ca -0.47 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 58.54 1dj3 h GLN 373 Cb 1.21 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 28.60 1dj3 h GLN 373 CO 0.67 0.35 -0.52 -1.54 -1.50 0.00 0.00 178.83 176.29 1dj3 s SER 374 N -6.38 0.24 0.13 1.46 1.04 -1.26 -5.13 113.70 103.79 1dj3 s SER 374 Ca 0.05 -0.99 -0.31 0.00 0.48 0.00 0.00 55.95 55.18 1dj3 s SER 374 Cb 0.07 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 1dj3 s SER 374 CO 0.72 -0.75 1.53 0.12 0.98 0.00 0.00 173.24 175.84 1dj3 s PHE 375 N -3.97 2.99 0.31 5.02 5.36 -1.26 -4.97 117.98 121.46 1dj3 s PHE 375 Ca 0.16 0.66 -0.29 0.00 -0.96 0.00 0.00 56.93 56.50 1dj3 s PHE 375 Cb 0.06 -3.86 -0.11 0.00 -0.34 0.00 0.00 43.02 38.77 1dj3 s PHE 375 CO -0.03 -3.21 1.50 -2.14 -1.46 0.00 0.00 175.22 169.88 1dj3 s PRO 376 N 1.44 4.18 -0.06 10.12 0.02 -1.26 -4.99 135.00 144.45 1dj3 s PRO 376 Ca 0.69 2.47 -0.00 0.00 0.02 0.00 0.00 61.00 64.18 1dj3 s PRO 376 Cb -0.41 -3.04 -0.00 0.00 0.02 0.00 0.00 34.50 31.07 1dj3 s PRO 376 CO 0.31 -0.51 -0.01 0.78 -0.33 0.00 0.00 177.00 177.24 1dj3 h GLY 377 N 4.27 0.00 -3.48 0.52 0.00 -1.96 -3.47 103.07 98.95 1dj3 h GLY 377 Ca -0.48 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.33 1dj3 h GLY 377 CO 0.74 0.00 0.57 0.51 0.00 0.00 0.00 176.54 178.35 1dj3 s ASP 378 N -4.54 6.61 0.43 0.19 -4.77 -1.26 -4.62 116.67 108.71 1dj3 s ASP 378 Ca -0.01 2.51 0.19 0.00 -3.30 0.00 0.00 52.55 51.95 1dj3 s ASP 378 Cb 0.00 -2.63 0.98 0.00 -1.09 0.00 0.00 42.92 40.18 1dj3 s ASP 378 CO 0.01 -0.63 1.90 0.17 0.70 0.00 0.00 175.17 177.33 1dj3 h LEU 379 N 2.98 0.00 -0.44 2.11 -0.00 -1.91 -2.81 115.31 115.24 1dj3 h LEU 379 Ca -0.49 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.48 1dj3 h LEU 379 Cb 1.23 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.82 1dj3 h LEU 379 CO 0.64 0.27 -0.04 0.44 -0.00 0.00 0.00 178.44 179.75 1dj3 h ASP 380 N 0.00 -0.26 0.37 0.17 3.32 -1.95 0.22 116.42 118.29 1dj3 h ASP 380 Ca -0.00 0.11 -0.30 0.00 0.02 0.00 0.00 57.03 56.87 1dj3 h ASP 380 Cb 0.57 0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.36 1dj3 h ASP 380 CO 0.03 -0.09 -1.29 0.74 -1.72 0.00 0.00 179.24 176.92 1dj3 h THR 381 N 0.07 1.37 -0.71 0.35 2.02 -1.94 -3.34 112.91 110.73 1dj3 h THR 381 Ca 0.22 -2.75 -0.07 0.00 0.77 0.00 0.00 66.41 64.58 1dj3 h THR 381 Cb 0.33 2.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.57 1dj3 h THR 381 CO -0.40 0.82 0.16 0.25 0.37 0.00 0.00 175.52 176.72 1dj3 h LEU 382 N 0.16 1.08 0.00 2.58 5.85 -1.19 -2.60 115.31 121.19 1dj3 h LEU 382 Ca -0.18 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1dj3 h LEU 382 Cb 1.98 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1dj3 h LEU 382 CO 0.23 1.04 0.00 1.21 -0.34 0.00 0.00 178.44 180.58 1dj3 n GLU 383 N -4.22 0.59 -2.31 1.25 4.07 0.72 -3.46 120.64 117.27 1dj3 n GLU 383 Ca 0.05 0.03 -0.16 0.00 -0.06 0.00 0.00 57.16 57.01 1dj3 n GLU 383 Cb 0.27 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.18 1dj3 n GLU 383 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1dj3 n GLN 384 N -1.13 2.96 -4.05 5.31 7.27 -0.98 -5.05 117.38 121.72 1dj3 n GLN 384 Ca 0.16 -3.96 -0.26 0.00 0.07 0.00 0.00 57.00 53.01 1dj3 n GLN 384 Cb 0.13 -2.04 -0.05 0.00 2.41 0.00 0.00 30.24 30.69 1dj3 n GLN 384 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1dj3 s VAL 385 N -4.37 4.72 -0.43 1.69 -7.23 -1.22 -3.83 120.40 109.72 1dj3 s VAL 385 Ca 0.43 -1.01 -0.07 0.00 -1.81 0.00 0.00 61.98 59.52 1dj3 s VAL 385 Cb 0.38 -3.43 0.11 0.00 0.56 0.00 0.00 36.38 34.00 1dj3 s VAL 385 CO 0.00 -0.13 0.26 -1.58 -0.31 0.00 0.00 175.10 173.34 1dj3 s GLN 386 N -3.23 2.33 0.33 4.82 0.74 -0.33 -4.96 119.66 119.36 1dj3 s GLN 386 Ca 0.32 -1.71 -0.28 0.00 0.05 0.00 0.00 55.36 53.74 1dj3 s GLN 386 Cb -0.10 -3.75 -0.10 0.00 1.10 0.00 0.00 33.01 30.17 1dj3 s GLN 386 CO 0.25 -1.08 1.18 0.08 -0.55 0.00 0.00 175.29 175.17 1dj3 s VAL 387 N 1.29 3.17 -0.40 1.34 1.01 -1.26 -1.26 120.40 124.29 1dj3 s VAL 387 Ca 0.06 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 1dj3 s VAL 387 Cb -0.24 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.54 1dj3 s VAL 387 CO -0.01 0.23 0.20 0.20 0.00 0.00 0.00 175.10 175.71 1dj3 s ASN 388 N -0.83 5.30 0.93 3.32 0.02 -1.05 -4.95 114.94 117.69 1dj3 s ASN 388 Ca 0.49 -1.84 -0.15 0.00 -1.02 0.00 0.00 52.86 50.34 1dj3 s ASN 388 Cb -0.34 -1.85 0.17 0.00 0.02 0.00 0.00 41.25 39.25 1dj3 s ASN 388 CO 0.44 -0.52 1.27 -0.31 0.02 0.00 0.00 177.10 178.01 1dj3 s TYR 389 N 1.22 1.90 -0.33 2.20 2.02 -1.26 -2.23 117.35 120.86 1dj3 s TYR 389 Ca 0.05 0.45 0.01 0.00 -0.37 0.00 0.00 57.07 57.21 1dj3 s TYR 389 Cb -0.23 -3.92 0.14 0.00 -0.40 0.00 0.00 41.96 37.56 1dj3 s TYR 389 CO -0.03 -2.49 0.33 -2.00 -1.57 0.00 0.00 175.55 169.79 1dj3 s GLU 390 N -5.78 0.48 0.21 -0.62 2.12 -0.95 -4.85 118.70 109.31 1dj3 s GLU 390 Ca 0.71 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 1dj3 s GLU 390 Cb -0.06 -0.73 -0.09 0.00 0.26 0.00 0.00 34.13 33.51 1dj3 s GLU 390 CO 0.52 -1.12 1.33 0.54 -0.54 0.00 0.00 175.26 176.00 1dj3 s VAL 391 N 1.85 3.11 0.16 3.70 0.11 -1.26 -2.77 120.40 125.29 1dj3 s VAL 391 Ca 0.13 0.91 0.09 0.00 -2.93 0.00 0.00 61.98 60.18 1dj3 s VAL 391 Cb -0.15 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1dj3 s VAL 391 CO -0.17 0.14 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.78 1dj3 s LEU 392 N -0.15 2.42 0.12 2.54 1.43 -0.71 -4.97 118.68 119.36 1dj3 s LEU 392 Ca 0.57 -0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 52.53 1dj3 s LEU 392 Cb -0.37 -0.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 1dj3 s LEU 392 CO 0.39 -0.01 1.69 -2.84 0.23 0.00 0.00 176.35 175.80 1dj3 s PRO 393 N -2.66 4.18 0.00 1.29 0.02 -1.26 -2.40 135.00 134.17 1dj3 s PRO 393 Ca 0.14 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1dj3 s PRO 393 Cb -0.06 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1dj3 s PRO 393 CO 0.06 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1dj3 n GLY 394 N 4.00 0.34 3.37 0.52 0.00 -0.52 -4.76 105.19 108.14 1dj3 n GLY 394 Ca 0.16 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1dj3 n GLY 394 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dj3 s TRP 395 N 0.10 -0.36 -0.69 1.61 -2.14 -1.01 -4.89 118.94 111.56 1dj3 s TRP 395 Ca 0.00 0.33 0.05 0.00 2.66 0.00 0.00 56.10 59.14 1dj3 s TRP 395 Cb 0.00 0.31 0.17 0.00 -3.10 0.00 0.00 33.47 30.85 1dj3 s TRP 395 CO 0.00 -0.64 0.47 -0.51 -2.66 0.00 0.00 176.95 173.61 1dj3 s ASP 396 N -2.13 4.79 -0.29 -2.66 1.11 -1.26 0.55 116.67 116.79 1dj3 s ASP 396 Ca -0.04 -3.76 -0.10 0.00 0.18 0.00 0.00 52.55 48.83 1dj3 s ASP 396 Cb -0.00 -1.64 0.12 0.00 1.07 0.00 0.00 42.92 42.47 1dj3 s ASP 396 CO -0.04 -0.10 0.62 -0.55 1.18 0.00 0.00 175.17 176.28 1dj3 s SER 397 N -1.31 -1.02 -0.28 0.27 0.15 -1.26 -4.88 113.70 105.37 1dj3 s SER 397 Ca 0.24 1.50 -0.28 0.00 0.70 0.00 0.00 55.95 58.10 1dj3 s SER 397 Cb -0.07 2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 66.38 1dj3 s SER 397 CO -0.15 -0.22 2.00 -0.62 1.20 0.00 0.00 173.24 175.46 1dj3 s ASP 398 N 2.86 5.67 -0.01 5.45 2.15 -1.26 -4.83 116.67 126.71 1dj3 s ASP 398 Ca -0.05 1.59 0.17 0.00 0.43 0.00 0.00 52.55 54.69 1dj3 s ASP 398 Cb -0.12 -2.52 0.50 0.00 -0.30 0.00 0.00 42.92 40.48 1dj3 s ASP 398 CO -0.18 -1.83 1.42 2.30 -0.17 0.00 0.00 175.17 176.70 1dj3 n ILE 399 N 7.59 1.06 0.45 4.11 -5.35 -1.26 -4.59 119.36 121.37 1dj3 n ILE 399 Ca 0.26 -1.02 0.01 0.00 -0.27 0.00 0.00 62.75 61.73 1dj3 n ILE 399 Cb 0.46 0.47 0.07 0.00 -1.74 0.00 0.00 39.64 38.90 1dj3 n ILE 399 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1dj3 n SER 400 N 1.09 0.00 -0.00 7.28 3.41 -1.26 -1.78 113.62 122.36 1dj3 n SER 400 Ca 0.19 -0.37 0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1dj3 n SER 400 Cb 0.55 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1dj3 n SER 400 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dj3 n SER 401 N -0.67 2.59 -4.66 4.04 3.41 -1.26 -4.86 113.62 112.21 1dj3 n SER 401 Ca 0.02 -0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 1dj3 n SER 401 Cb 0.01 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 1dj3 n SER 401 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dj3 s VAL 402 N -1.76 3.61 -0.13 -3.33 1.01 -0.73 -4.89 120.40 114.17 1dj3 s VAL 402 Ca -0.00 0.73 0.14 0.00 0.00 0.00 0.00 61.98 62.84 1dj3 s VAL 402 Cb 0.02 -3.49 -0.19 0.00 0.00 0.00 0.00 36.38 32.71 1dj3 s VAL 402 CO 0.10 -0.09 0.09 0.54 0.00 0.00 0.00 175.10 175.74 1dj3 n ARG 403 N 7.19 1.42 -3.70 2.72 5.12 -1.26 -4.75 116.66 123.39 1dj3 n ARG 403 Ca 0.17 -0.03 -0.27 0.00 -1.93 0.00 0.00 57.85 55.80 1dj3 n ARG 403 Cb 0.43 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.32 1dj3 n ARG 403 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1dj3 s SER 404 N -4.72 6.38 0.08 0.55 0.01 -1.26 -4.41 113.70 110.33 1dj3 s SER 404 Ca -0.07 0.39 -0.17 0.00 1.31 0.00 0.00 55.95 57.41 1dj3 s SER 404 Cb 0.05 -2.00 -0.10 0.00 0.21 0.00 0.00 66.02 64.18 1dj3 s SER 404 CO 0.62 -0.05 1.40 0.22 0.41 0.00 0.00 173.24 175.85 1dj3 h TYR 405 N 1.96 0.70 0.00 2.43 3.20 -1.95 -3.21 116.97 120.10 1dj3 h TYR 405 Ca -0.48 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.17 1dj3 h TYR 405 Cb 1.19 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 1dj3 h TYR 405 CO 0.55 0.91 -0.03 0.66 -1.64 0.00 0.00 178.16 178.60 1dj3 h SER 406 N 0.30 0.00 0.61 -2.11 4.64 -1.96 -2.63 113.55 112.40 1dj3 h SER 406 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1dj3 h SER 406 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1dj3 h SER 406 CO 0.06 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.43 1dj3 n GLU 407 N -3.58 0.12 -2.01 4.77 1.02 -1.21 -4.84 120.64 114.91 1dj3 n GLU 407 Ca -0.02 0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 1dj3 n GLU 407 Cb 0.13 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1dj3 n GLU 407 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dj3 s LEU 408 N -2.83 3.43 0.66 -4.62 1.43 -0.99 -5.02 118.68 110.75 1dj3 s LEU 408 Ca 0.14 1.71 -0.17 0.00 -1.03 0.00 0.00 54.13 54.79 1dj3 s LEU 408 Cb 0.14 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1dj3 s LEU 408 CO 0.37 -1.10 1.21 -2.84 0.23 0.00 0.00 176.35 174.22 1dj3 s PRO 409 N -4.32 2.55 0.29 1.29 0.02 -1.26 -4.84 135.00 128.71 1dj3 s PRO 409 Ca 0.61 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 63.40 1dj3 s PRO 409 Cb -0.14 -1.88 0.41 0.00 0.02 0.00 0.00 34.50 32.91 1dj3 s PRO 409 CO 0.40 -1.53 1.90 0.37 -0.33 0.00 0.00 177.00 177.81 1dj3 h GLN 410 N 0.26 0.98 0.00 5.54 4.15 -1.95 -1.36 115.11 122.72 1dj3 h GLN 410 Ca -0.49 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 58.72 1dj3 h GLN 410 Cb 1.30 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1dj3 h GLN 410 CO 0.52 0.74 -0.42 0.00 -1.93 0.00 0.00 178.83 177.75 1dj3 h ALA 411 N 1.40 1.07 0.17 3.38 0.00 -1.90 -1.94 119.26 121.45 1dj3 h ALA 411 Ca 0.24 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 1dj3 h ALA 411 Cb 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.83 1dj3 h ALA 411 CO -0.03 0.53 -1.28 0.00 0.00 0.00 0.00 179.25 178.46 1dj3 h ALA 412 N 1.58 -0.07 -0.54 0.00 0.00 -1.70 -2.89 119.26 115.63 1dj3 h ALA 412 Ca -0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 54.05 1dj3 h ALA 412 Cb 0.87 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1dj3 h ALA 412 CO 0.05 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.04 1dj3 h ARG 413 N 0.17 0.90 -0.06 0.00 3.08 -1.24 -2.03 114.38 115.21 1dj3 h ARG 413 Ca -0.21 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.60 1dj3 h ARG 413 Cb 1.97 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.92 1dj3 h ARG 413 CO 0.24 0.87 0.04 -0.09 -1.07 0.00 0.00 179.97 179.97 1dj3 h ARG 414 N 0.79 0.05 0.46 0.04 9.65 -1.43 -2.15 114.38 121.80 1dj3 h ARG 414 Ca 0.17 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1dj3 h ARG 414 Cb 0.41 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1dj3 h ARG 414 CO 0.01 0.04 -0.22 -0.92 2.80 0.00 0.00 179.97 181.68 1dj3 h TYR 415 N 0.06 -0.57 -1.00 2.20 3.20 -1.14 -1.65 116.97 118.06 1dj3 h TYR 415 Ca 0.02 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1dj3 h TYR 415 Cb 0.02 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1dj3 h TYR 415 CO -0.00 -0.25 0.65 -0.39 -1.64 0.00 0.00 178.16 176.54 1dj3 h VAL 416 N -0.93 1.19 -0.75 1.81 -1.51 -1.28 -2.30 116.25 112.48 1dj3 h VAL 416 Ca -0.06 -0.44 -0.04 0.00 -1.23 0.00 0.00 66.70 64.93 1dj3 h VAL 416 Cb 0.58 -0.20 -0.03 0.00 -2.13 0.00 0.00 31.29 29.50 1dj3 h VAL 416 CO 0.10 0.23 0.33 -0.33 -1.23 0.00 0.00 177.57 176.67 1dj3 h GLU 417 N 1.28 1.09 -0.01 5.19 5.08 -1.40 0.18 114.58 125.99 1dj3 h GLU 417 Ca 0.39 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1dj3 h GLU 417 Cb -0.03 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1dj3 h GLU 417 CO -0.12 0.86 -0.49 -0.09 -1.00 0.00 0.00 179.01 178.18 1dj3 h ARG 418 N 1.07 0.03 0.38 2.33 9.65 -0.85 -1.84 114.38 125.15 1dj3 h ARG 418 Ca 0.25 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 1dj3 h ARG 418 Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1dj3 h ARG 418 CO -0.03 0.51 -0.18 0.82 2.80 0.00 0.00 179.97 183.89 1dj3 h ILE 419 N 0.03 0.27 0.00 1.20 2.04 -0.79 -1.97 117.51 118.28 1dj3 h ILE 419 Ca -0.00 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1dj3 h ILE 419 Cb 0.87 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1dj3 h ILE 419 CO 0.06 0.06 0.09 1.05 0.00 0.00 0.00 178.15 179.42 1dj3 h GLU 420 N -1.05 0.00 0.00 2.37 4.11 -0.99 0.35 114.58 119.38 1dj3 h GLU 420 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1dj3 h GLU 420 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1dj3 h GLU 420 CO 0.09 0.00 -0.12 1.49 0.07 0.00 0.00 179.01 180.53 1dj3 h GLU 421 N 0.00 0.00 -0.14 1.06 4.81 -1.28 -2.42 114.58 116.61 1dj3 h GLU 421 Ca 0.00 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1dj3 h GLU 421 Cb 0.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1dj3 h GLU 421 CO 0.00 1.00 -0.59 -0.07 -0.73 0.00 0.00 179.01 178.62 1dj3 h LEU 422 N -1.00 0.51 -0.32 1.64 3.38 -0.47 -3.14 115.31 115.93 1dj3 h LEU 422 Ca -0.03 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 1dj3 h LEU 422 Cb 1.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1dj3 h LEU 422 CO -0.02 0.99 -0.63 0.00 0.09 0.00 0.00 178.44 178.87 1dj3 h ALA 423 N 1.02 0.69 0.00 1.53 0.00 -0.50 -3.48 119.26 118.53 1dj3 h ALA 423 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1dj3 h ALA 423 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1dj3 h ALA 423 CO 0.10 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1dj3 n GLY 424 N 0.90 3.01 3.75 0.00 0.00 -0.91 -4.88 105.19 107.06 1dj3 n GLY 424 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1dj3 n GLY 424 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dj3 s VAL 425 N -1.72 5.17 0.77 1.61 -7.23 -1.23 -4.95 120.40 112.82 1dj3 s VAL 425 Ca 0.00 0.09 -0.13 0.00 -1.81 0.00 0.00 61.98 60.14 1dj3 s VAL 425 Cb 0.00 -3.30 0.06 0.00 0.56 0.00 0.00 36.38 33.70 1dj3 s VAL 425 CO 0.00 0.52 1.14 -2.16 -0.31 0.00 0.00 175.10 174.29 1dj3 s PRO 426 N -0.21 2.06 -0.22 4.82 0.04 -1.26 -4.42 135.00 135.81 1dj3 s PRO 426 Ca 0.09 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 1dj3 s PRO 426 Cb -0.12 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1dj3 s PRO 426 CO 0.01 -1.83 0.10 0.08 0.04 0.00 0.00 177.00 175.40 1dj3 s VAL 427 N -2.49 4.92 -0.20 -0.36 1.01 -1.26 -1.22 120.40 120.79 1dj3 s VAL 427 Ca 0.67 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1dj3 s VAL 427 Cb -0.22 -3.26 -0.12 0.00 0.00 0.00 0.00 36.38 32.77 1dj3 s VAL 427 CO 0.50 0.39 0.29 1.41 0.00 0.00 0.00 175.10 177.69 1dj3 n HIS 428 N 4.14 0.00 -3.92 5.22 8.25 -0.36 -4.58 115.22 123.97 1dj3 n HIS 428 Ca -0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.15 1dj3 n HIS 428 Cb 0.52 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 31.36 1dj3 n HIS 428 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1dj3 s TYR 429 N -2.28 0.20 -0.19 4.41 1.51 -1.05 -2.13 117.35 117.81 1dj3 s TYR 429 Ca -0.00 0.01 -0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1dj3 s TYR 429 Cb 0.06 -0.24 0.05 0.00 -0.11 0.00 0.00 41.96 41.72 1dj3 s TYR 429 CO 0.38 -0.07 -0.04 0.42 -1.11 0.00 0.00 175.55 175.14 1dj3 s ILE 430 N 0.56 1.16 -0.08 2.71 1.01 -0.29 0.08 121.20 126.35 1dj3 s ILE 430 Ca -0.05 -0.82 -0.25 0.00 0.00 0.00 0.00 60.65 59.52 1dj3 s ILE 430 Cb -0.08 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1dj3 s ILE 430 CO -0.01 -0.01 0.80 -0.83 0.00 0.00 0.00 174.94 174.89 1dj3 s GLY 431 N 1.59 2.54 -0.12 6.18 0.00 0.52 -0.98 107.32 117.06 1dj3 s GLY 431 Ca -0.02 0.20 0.15 0.00 0.00 0.00 0.00 44.72 45.05 1dj3 s GLY 431 CO -0.07 1.44 1.17 3.33 0.00 0.00 0.00 173.10 178.97 1dj3 n VAL 432 N 4.08 1.35 0.00 1.40 0.24 -1.02 -0.96 118.33 123.43 1dj3 n VAL 432 Ca 0.02 -2.13 0.00 0.00 -2.04 0.00 0.00 64.34 60.19 1dj3 n VAL 432 Cb 0.51 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1dj3 n VAL 432 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dj3 n GLY 433 N -0.67 2.14 0.27 7.63 0.00 -1.24 -4.04 105.19 109.28 1dj3 n GLY 433 Ca 0.13 -0.54 0.16 0.00 0.00 0.00 0.00 46.02 45.77 1dj3 n GLY 433 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dj3 h PRO 434 N 0.00 0.00 -7.12 1.61 0.13 -1.97 -3.43 132.00 121.22 1dj3 h PRO 434 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1dj3 h PRO 434 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1dj3 h PRO 434 CO 0.00 0.04 0.47 0.20 -0.23 0.00 0.00 178.00 178.48 1dj3 s GLY 435 N -4.20 2.69 0.46 1.56 0.00 -1.26 -4.59 107.32 101.98 1dj3 s GLY 435 Ca 0.00 1.03 0.13 0.00 0.00 0.00 0.00 44.72 45.88 1dj3 s GLY 435 CO 0.55 1.43 2.07 -0.09 0.00 0.00 0.00 173.10 177.06 1dj3 h ARG 436 N 0.57 0.28 0.00 2.90 2.43 -1.83 -1.93 114.38 116.80 1dj3 h ARG 436 Ca -0.50 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.51 1dj3 h ARG 436 Cb 1.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1dj3 h ARG 436 CO 0.54 0.18 -0.70 0.22 -1.51 0.00 0.00 179.97 178.70 1dj3 h ASP 437 N 0.28 0.00 0.00 -3.80 1.82 -1.91 -3.41 116.42 109.41 1dj3 h ASP 437 Ca 0.13 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.34 1dj3 h ASP 437 Cb 0.16 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.18 1dj3 h ASP 437 CO -0.03 0.69 2.67 0.00 -1.61 0.00 0.00 179.24 180.96 1dj3 n ALA 438 N -2.27 5.42 -3.72 -0.78 0.00 -0.72 -4.83 120.51 113.60 1dj3 n ALA 438 Ca 0.01 -2.30 -0.16 0.00 0.00 0.00 0.00 53.44 50.99 1dj3 n ALA 438 Cb 0.81 -3.02 -0.16 0.00 0.00 0.00 0.00 19.45 17.08 1dj3 n ALA 438 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1dj3 s LEU 439 N 0.11 1.16 -0.15 0.00 2.96 -1.26 -2.42 118.68 119.07 1dj3 s LEU 439 Ca 0.48 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1dj3 s LEU 439 Cb 0.13 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1dj3 s LEU 439 CO -0.04 -0.11 0.13 -0.63 -1.32 0.00 0.00 176.35 174.39 1dj3 s ILE 440 N 1.01 5.44 -0.22 6.68 1.01 -0.15 -4.94 121.20 130.04 1dj3 s ILE 440 Ca -0.10 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 1dj3 s ILE 440 Cb -0.13 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1dj3 s ILE 440 CO -0.02 0.56 0.09 -0.31 0.00 0.00 0.00 174.94 175.26 1dj3 s TYR 441 N -0.54 3.21 -1.36 3.97 2.02 -1.26 -1.13 117.35 122.25 1dj3 s TYR 441 Ca 0.12 -0.04 0.11 0.00 -0.37 0.00 0.00 57.07 56.90 1dj3 s TYR 441 Cb -0.12 -2.19 0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1dj3 s TYR 441 CO 0.02 -0.04 0.84 1.17 -1.57 0.00 0.00 175.55 175.97