#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj3 s LYS 4 N 0.00 1.95 -0.04 5.31 1.02 -1.26 -5.11 119.74 121.61 3hj3 s LYS 4 Ca 0.00 -1.54 0.06 0.00 0.02 0.00 0.00 55.97 54.51 3hj3 s LYS 4 Cb 0.00 0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 37.80 3hj3 s LYS 4 CO 0.00 -0.85 -0.22 1.21 -0.92 0.00 0.00 175.35 174.57 3hj3 s ASN 5 N -3.13 3.38 -0.25 2.83 2.47 -1.26 -5.03 114.94 113.94 3hj3 s ASN 5 Ca 0.24 -0.39 -0.01 0.00 0.42 0.00 0.00 52.86 53.12 3hj3 s ASN 5 Cb -0.02 -0.61 0.08 0.00 -1.45 0.00 0.00 41.25 39.25 3hj3 s ASN 5 CO 0.15 0.31 0.04 -0.69 -3.72 0.00 0.00 177.10 173.19 3hj3 s VAL 6 N -0.55 1.00 -0.07 -5.21 1.01 -1.25 -0.46 120.40 114.86 3hj3 s VAL 6 Ca 0.08 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.95 3hj3 s VAL 6 Cb -0.11 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.74 3hj3 s VAL 6 CO 0.00 -0.37 -0.10 -0.94 0.00 0.00 0.00 175.10 173.69 3hj3 s SER 7 N 1.60 1.78 0.28 3.32 1.04 -0.87 -0.05 113.70 120.81 3hj3 s SER 7 Ca 0.02 -0.28 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 3hj3 s SER 7 Cb -0.18 -0.79 -0.10 0.00 0.10 0.00 0.00 66.02 65.06 3hj3 s SER 7 CO -0.14 -0.01 1.15 0.27 0.98 0.00 0.00 173.24 175.49 3hj3 s ILE 8 N 0.93 3.33 -0.17 -1.02 -4.36 -0.30 -2.65 121.20 116.96 3hj3 s ILE 8 Ca -0.10 1.32 -0.03 0.00 -0.26 0.00 0.00 60.65 61.59 3hj3 s ILE 8 Cb -0.15 -3.84 -0.02 0.00 1.25 0.00 0.00 42.46 39.70 3hj3 s ILE 8 CO 0.01 0.31 -0.07 -0.69 0.24 0.00 0.00 174.94 174.74 3hj3 s VAL 9 N -1.07 3.46 0.05 8.37 1.01 -1.02 -0.72 120.40 130.48 3hj3 s VAL 9 Ca 0.46 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 3hj3 s VAL 9 Cb -0.34 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3hj3 s VAL 9 CO 0.43 0.47 0.09 0.54 0.00 0.00 0.00 175.10 176.63 3hj3 s VAL 10 N 0.77 0.15 -0.27 2.92 0.11 0.54 -4.53 120.40 120.09 3hj3 s VAL 10 Ca -0.03 -1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 57.79 3hj3 s VAL 10 Cb -0.15 -1.03 0.09 0.00 -1.53 0.00 0.00 36.38 33.76 3hj3 s VAL 10 CO 0.02 -0.66 0.10 0.00 -3.33 0.00 0.00 175.10 171.23 3hj3 s ALA 11 N -2.94 0.93 0.19 1.54 0.00 -1.26 -0.25 121.76 119.97 3hj3 s ALA 11 Ca -0.02 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.88 3hj3 s ALA 11 Cb 0.01 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3hj3 s ALA 11 CO -0.06 -1.54 -0.16 0.00 0.00 0.00 0.00 175.76 174.00 3hj3 s ALA 12 N 1.92 2.00 0.38 0.00 0.00 -0.77 -4.69 121.76 120.61 3hj3 s ALA 12 Ca 0.07 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.17 3hj3 s ALA 12 Cb -0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 3hj3 s ALA 12 CO -0.27 0.12 1.27 -1.54 0.00 0.00 0.00 175.76 175.35 3hj3 s SER 13 N -3.08 6.48 0.20 0.00 1.04 0.48 -0.73 113.70 118.09 3hj3 s SER 13 Ca 0.20 2.59 -0.19 0.00 0.48 0.00 0.00 55.95 59.02 3hj3 s SER 13 Cb -0.03 -2.64 0.16 0.00 0.10 0.00 0.00 66.02 63.62 3hj3 s SER 13 CO 0.07 -0.73 1.58 1.62 0.98 0.00 0.00 173.24 176.76 3hj3 h VAL 14 N 2.57 0.15 0.10 5.02 3.04 -0.77 -1.96 116.25 124.41 3hj3 h VAL 14 Ca -0.49 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 64.90 3hj3 h VAL 14 Cb 1.24 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 3hj3 h VAL 14 CO 0.63 0.00 -1.58 -0.07 -1.01 0.00 0.00 177.57 175.54 3hj3 h LEU 15 N -0.12 0.34 -1.67 3.16 3.38 -1.92 -3.40 115.31 115.09 3hj3 h LEU 15 Ca 0.27 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3hj3 h LEU 15 Cb 0.56 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hj3 h LEU 15 CO -0.75 1.68 0.00 -1.54 0.09 0.00 0.00 178.44 177.93 3hj3 n SER 16 N -3.86 2.00 -1.82 -0.43 3.41 -1.25 -4.98 113.62 106.69 3hj3 n SER 16 Ca -0.28 -1.52 -0.19 0.00 -0.26 0.00 0.00 58.87 56.62 3hj3 n SER 16 Cb 0.92 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 3hj3 n SER 16 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hj3 n SER 17 N 0.52 -5.38 -4.62 4.04 7.64 -0.73 -4.71 113.62 110.37 3hj3 n SER 17 Ca 0.07 0.22 -0.49 0.00 1.01 0.00 0.00 58.87 59.67 3hj3 n SER 17 Cb 0.27 -4.49 -0.05 0.00 -1.01 0.00 0.00 64.21 58.94 3hj3 n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hj3 n GLY 18 N -0.84 0.68 0.00 0.23 0.00 -1.26 -1.07 105.19 102.94 3hj3 n GLY 18 Ca -0.21 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3hj3 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hj3 n ILE 19 N 2.71 0.00 -3.62 -0.61 -5.35 -0.84 -0.39 119.36 111.26 3hj3 n ILE 19 Ca 0.17 -0.43 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 3hj3 n ILE 19 Cb 0.24 1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 39.19 3hj3 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hj3 s GLY 20 N -0.10 -0.47 -0.28 3.28 0.00 -1.21 -4.53 107.32 104.01 3hj3 s GLY 20 Ca 0.00 2.07 -0.18 0.00 0.00 0.00 0.00 44.72 46.61 3hj3 s GLY 20 CO 0.00 1.66 0.73 -1.50 0.00 0.00 0.00 173.10 174.00 3hj3 s ILE 21 N 0.16 0.00 0.00 0.90 1.10 -1.15 -0.25 121.20 121.95 3hj3 s ILE 21 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.13 3hj3 s ILE 21 Cb -0.04 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.57 3hj3 s ILE 21 CO 0.01 0.00 0.00 0.59 -2.11 0.00 0.00 174.94 173.43 3hj3 n ASN 22 N 3.92 0.00 -1.25 4.50 4.13 -1.26 -2.12 115.26 123.18 3hj3 n ASN 22 Ca -0.19 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.01 3hj3 n ASN 22 Cb 0.58 0.00 0.19 0.00 -1.54 0.00 0.00 39.78 39.01 3hj3 n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hj3 n GLY 23 N 0.00 5.01 3.47 7.41 0.00 -1.26 -4.97 105.19 114.85 3hj3 n GLY 23 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 3hj3 n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hj3 s GLN 24 N -3.29 1.65 0.42 1.61 -0.21 -0.90 -4.46 119.66 114.49 3hj3 s GLN 24 Ca 0.46 -1.87 -0.16 0.00 0.02 0.00 0.00 55.36 53.80 3hj3 s GLN 24 Cb 0.41 -1.20 -0.09 0.00 1.00 0.00 0.00 33.01 33.14 3hj3 s GLN 24 CO -0.00 -0.02 0.87 -0.51 -2.12 0.00 0.00 175.29 173.51 3hj3 s LEU 25 N -3.50 3.85 0.00 2.90 1.43 -1.26 -2.94 118.68 119.15 3hj3 s LEU 25 Ca 0.32 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3hj3 s LEU 25 Cb 0.06 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 41.97 3hj3 s LEU 25 CO 0.14 -0.40 0.52 -2.65 0.23 0.00 0.00 176.35 174.18 3hj3 n PRO 26 N -1.01 0.63 -3.81 1.29 -0.02 -1.26 -4.78 135.00 126.03 3hj3 n PRO 26 Ca 0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 3hj3 n PRO 26 Cb 0.54 -1.11 -0.01 0.00 -0.02 0.00 0.00 33.50 32.89 3hj3 n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3hj3 s TRP 27 N -1.65 -0.14 -0.08 6.00 -2.14 -1.26 -5.11 118.94 114.57 3hj3 s TRP 27 Ca 0.00 -0.27 -0.00 0.00 2.66 0.00 0.00 56.10 58.49 3hj3 s TRP 27 Cb 0.00 0.69 0.02 0.00 -3.10 0.00 0.00 33.47 31.08 3hj3 s TRP 27 CO 0.00 -1.06 -0.05 -1.54 -2.66 0.00 0.00 176.95 171.64 3hj3 s SER 28 N -2.96 1.70 -0.34 -2.66 1.04 -1.26 -5.09 113.70 104.13 3hj3 s SER 28 Ca 0.12 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 3hj3 s SER 28 Cb -0.04 -0.62 0.11 0.00 0.10 0.00 0.00 66.02 65.58 3hj3 s SER 28 CO 0.05 -0.12 0.15 -0.63 0.98 0.00 0.00 173.24 173.67 3hj3 s ILE 29 N 1.58 0.68 -1.33 -1.02 1.01 -1.26 -5.00 121.20 115.85 3hj3 s ILE 29 Ca 0.01 -1.58 0.13 0.00 0.00 0.00 0.00 60.65 59.21 3hj3 s ILE 29 Cb -0.13 -1.51 0.20 0.00 0.01 0.00 0.00 42.46 41.03 3hj3 s ILE 29 CO -0.05 -0.79 1.34 -1.54 0.00 0.00 0.00 174.94 173.90 3hj3 n SER 30 N 4.51 0.00 -0.00 3.58 3.41 -1.26 -1.06 113.62 122.80 3hj3 n SER 30 Ca 0.02 0.19 -0.16 0.00 -0.26 0.00 0.00 58.87 58.66 3hj3 n SER 30 Cb 0.40 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 3hj3 n SER 30 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hj3 h GLU 31 N 0.00 0.70 0.00 4.33 3.07 -1.98 -2.82 114.58 117.88 3hj3 h GLU 31 Ca 0.00 -0.59 -0.19 0.00 -0.50 0.00 0.00 59.36 58.08 3hj3 h GLU 31 Cb 0.14 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 3hj3 h GLU 31 CO 0.00 1.20 -0.90 0.22 -1.40 0.00 0.00 179.01 178.13 3hj3 h ASP 32 N 0.47 0.03 0.24 1.42 3.58 -1.52 0.18 116.42 120.81 3hj3 h ASP 32 Ca -0.05 -0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.22 3hj3 h ASP 32 Cb 1.41 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 3hj3 h ASP 32 CO 0.16 0.92 -0.57 -0.07 -2.88 0.00 0.00 179.24 176.79 3hj3 h LEU 33 N 0.01 0.39 -0.37 2.28 3.38 -1.64 0.13 115.31 119.50 3hj3 h LEU 33 Ca -0.02 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3hj3 h LEU 33 Cb 1.59 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3hj3 h LEU 33 CO 0.12 0.88 0.05 0.50 0.09 0.00 0.00 178.44 180.08 3hj3 h LYS 34 N 0.27 0.62 0.39 1.13 3.64 -1.29 0.09 116.57 121.43 3hj3 h LYS 34 Ca -0.00 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 3hj3 h LYS 34 Cb 1.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3hj3 h LYS 34 CO 0.10 0.69 -0.30 0.35 -2.27 0.00 0.00 179.45 178.01 3hj3 h PHE 35 N 0.46 -0.82 -0.96 1.91 3.57 -0.59 -0.50 116.94 120.00 3hj3 h PHE 35 Ca 0.11 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.90 3hj3 h PHE 35 Cb 0.38 0.31 -0.17 0.00 2.79 0.00 0.00 35.95 39.25 3hj3 h PHE 35 CO 0.03 -0.43 0.17 0.35 -2.23 0.00 0.00 178.31 176.20 3hj3 h PHE 36 N -0.67 0.21 -0.42 0.41 3.04 -0.71 0.55 116.94 119.35 3hj3 h PHE 36 Ca -0.05 0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.83 3hj3 h PHE 36 Cb 0.56 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 3hj3 h PHE 36 CO -0.10 -0.38 -0.24 1.03 -2.02 0.00 0.00 178.31 176.60 3hj3 h SER 37 N 0.06 0.93 0.25 0.41 0.87 -0.56 -2.86 113.55 112.64 3hj3 h SER 37 Ca 0.63 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3hj3 h SER 37 Cb 1.38 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3hj3 h SER 37 CO -0.82 1.14 -0.12 0.11 -0.53 0.00 0.00 176.83 176.61 3hj3 h LYS 38 N 0.72 -0.32 0.45 2.24 1.79 0.76 -2.69 116.57 119.52 3hj3 h LYS 38 Ca 0.09 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 3hj3 h LYS 38 Cb 0.81 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3hj3 h LYS 38 CO 0.07 0.04 -0.21 0.97 -1.08 0.00 0.00 179.45 179.23 3hj3 h ILE 39 N -0.86 0.56 0.00 1.86 6.09 -1.54 0.41 117.51 124.03 3hj3 h ILE 39 Ca -0.03 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 3hj3 h ILE 39 Cb 0.51 0.64 0.00 0.00 0.47 0.00 0.00 36.82 38.44 3hj3 h ILE 39 CO 0.06 0.03 0.74 0.74 -3.07 0.00 0.00 178.15 176.65 3hj3 h THR 40 N -0.70 0.00 -0.00 2.19 2.02 -1.61 0.19 112.91 115.00 3hj3 h THR 40 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3hj3 h THR 40 Cb 0.51 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3hj3 h THR 40 CO 0.10 0.00 -0.02 -3.20 0.37 0.00 0.00 175.52 172.77 3hj3 n ASN 41 N -2.16 0.39 -4.62 4.18 4.05 -0.11 -4.71 115.26 112.28 3hj3 n ASN 41 Ca -0.00 -0.70 -0.43 0.00 0.45 0.00 0.00 54.58 53.90 3hj3 n ASN 41 Cb 0.75 0.65 -0.03 0.00 1.23 0.00 0.00 39.78 42.37 3hj3 n ASN 41 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 3hj3 s ASN 42 N -0.70 5.87 -0.07 1.20 2.47 0.13 -4.95 114.94 118.89 3hj3 s ASN 42 Ca 0.00 2.03 -0.10 0.00 0.42 0.00 0.00 52.86 55.21 3hj3 s ASN 42 Cb 0.00 -2.52 0.02 0.00 -1.45 0.00 0.00 41.25 37.31 3hj3 s ASN 42 CO 0.02 -1.61 0.26 -1.59 -3.72 0.00 0.00 177.10 170.46 3hj3 s LYS 43 N 5.58 0.42 -0.10 0.43 -2.85 -1.26 -5.00 119.74 116.95 3hj3 s LYS 43 Ca 0.92 0.13 -0.01 0.00 -1.00 0.00 0.00 55.97 56.02 3hj3 s LYS 43 Cb -0.34 0.19 -0.00 0.00 -2.06 0.00 0.00 37.83 35.62 3hj3 s LYS 43 CO 0.36 -0.08 0.00 0.00 0.10 0.00 0.00 175.35 175.73 3hj3 s ASP 45 N -5.56 7.32 0.18 0.00 -1.08 -1.26 -4.97 116.67 111.30 3hj3 s ASP 45 Ca -0.01 1.57 0.17 0.00 -0.52 0.00 0.00 52.55 53.76 3hj3 s ASP 45 Cb 0.00 -2.48 -0.02 0.00 -1.46 0.00 0.00 42.92 38.95 3hj3 s ASP 45 CO 0.01 0.15 1.12 0.77 0.52 0.00 0.00 175.17 177.74 3hj3 h SER 46 N 4.79 0.00 0.00 -0.34 4.64 -2.00 -3.22 113.55 117.42 3hj3 h SER 46 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hj3 h SER 46 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3hj3 h SER 46 CO 0.68 0.45 0.00 0.59 -0.87 0.00 0.00 176.83 177.68 3hj3 n ASN 47 N -3.00 0.96 -4.03 4.97 5.03 -1.26 -4.78 115.26 113.15 3hj3 n ASN 47 Ca -0.03 -1.58 -0.09 0.00 0.87 0.00 0.00 54.58 53.75 3hj3 n ASN 47 Cb 0.75 -0.40 -0.09 0.00 -1.02 0.00 0.00 39.78 39.03 3hj3 n ASN 47 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hj3 s LYS 48 N -0.87 0.86 0.08 3.52 1.02 -1.22 -4.60 119.74 118.53 3hj3 s LYS 48 Ca 0.00 -1.22 0.04 0.00 0.02 0.00 0.00 55.97 54.81 3hj3 s LYS 48 Cb 0.00 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 3hj3 s LYS 48 CO 0.00 -0.25 -0.10 0.15 -0.92 0.00 0.00 175.35 174.23 3hj3 s LYS 49 N -3.95 0.75 0.70 1.68 1.02 0.44 -4.93 119.74 115.45 3hj3 s LYS 49 Ca 0.14 -1.00 -0.07 0.00 0.02 0.00 0.00 55.97 55.05 3hj3 s LYS 49 Cb 0.06 -0.53 0.06 0.00 -0.52 0.00 0.00 37.83 36.90 3hj3 s LYS 49 CO -0.05 0.09 1.02 -0.80 -0.92 0.00 0.00 175.35 174.70 3hj3 s ASN 50 N -2.05 4.89 0.03 2.83 -0.87 -1.26 -1.42 114.94 117.08 3hj3 s ASN 50 Ca -0.00 0.53 0.04 0.00 -1.57 0.00 0.00 52.86 51.85 3hj3 s ASN 50 Cb -0.06 -1.21 -0.02 0.00 -0.02 0.00 0.00 41.25 39.94 3hj3 s ASN 50 CO 0.01 -1.56 -0.11 0.00 -2.57 0.00 0.00 177.10 172.86 3hj3 s ALA 51 N -3.25 0.89 -0.13 0.60 0.00 0.02 -2.63 121.76 117.26 3hj3 s ALA 51 Ca 0.60 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.89 3hj3 s ALA 51 Cb -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3hj3 s ALA 51 CO 0.45 0.15 -0.18 -0.51 0.00 0.00 0.00 175.76 175.67 3hj3 s LEU 52 N -0.98 1.92 0.19 0.00 1.43 0.00 -0.49 118.68 120.75 3hj3 s LEU 52 Ca -0.01 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 3hj3 s LEU 52 Cb -0.07 -1.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 3hj3 s LEU 52 CO 0.01 0.03 0.68 -0.63 0.23 0.00 0.00 176.35 176.67 3hj3 s ILE 53 N 1.01 4.62 -0.09 -0.59 1.09 -0.26 0.20 121.20 127.18 3hj3 s ILE 53 Ca -0.04 1.23 -0.28 0.00 -1.10 0.00 0.00 60.65 60.45 3hj3 s ILE 53 Cb -0.15 -3.86 0.07 0.00 -1.06 0.00 0.00 42.46 37.46 3hj3 s ILE 53 CO -0.04 0.28 0.65 0.00 -0.10 0.00 0.00 174.94 175.72 3hj3 s MET 54 N -1.82 0.97 1.10 2.79 0.23 0.20 -1.42 119.30 121.36 3hj3 s MET 54 Ca 0.40 0.36 -0.12 0.00 -1.03 0.00 0.00 55.69 55.30 3hj3 s MET 54 Cb -0.17 0.46 0.25 0.00 -1.53 0.00 0.00 34.83 33.84 3hj3 s MET 54 CO 0.21 -0.27 1.06 0.20 -2.03 0.00 0.00 175.02 174.19 3hj3 s GLY 55 N -0.89 1.59 0.15 3.16 0.00 -0.13 -0.95 107.32 110.26 3hj3 s GLY 55 Ca -0.09 0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.80 3hj3 s GLY 55 CO 0.08 0.73 1.34 -0.09 0.00 0.00 0.00 173.10 175.16 3hj3 h ARG 56 N -2.43 0.03 0.00 2.90 2.43 -1.90 -2.61 114.38 112.79 3hj3 h ARG 56 Ca -0.56 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.47 3hj3 h ARG 56 Cb 1.31 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3hj3 h ARG 56 CO 0.47 0.93 -0.48 0.87 -1.51 0.00 0.00 179.97 180.26 3hj3 h LYS 57 N 0.01 0.00 -0.00 0.20 1.57 -1.92 -1.41 116.57 115.01 3hj3 h LYS 57 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hj3 h LYS 57 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 3hj3 h LYS 57 CO 0.12 0.48 -0.01 1.15 -0.57 0.00 0.00 179.45 180.63 3hj3 h THR 58 N 0.00 1.48 -0.07 -0.16 2.02 -1.87 -2.83 112.91 111.48 3hj3 h THR 58 Ca -0.00 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 65.78 3hj3 h THR 58 Cb 0.91 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 69.74 3hj3 h THR 58 CO 0.06 0.37 0.11 -0.25 0.37 0.00 0.00 175.52 176.18 3hj3 h TRP 59 N -0.59 0.00 -0.40 3.16 2.91 -1.40 1.38 115.95 121.01 3hj3 h TRP 59 Ca -0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3hj3 h TRP 59 Cb 0.61 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 3hj3 h TRP 59 CO 0.14 0.00 0.18 -0.44 -1.03 0.00 0.00 178.44 177.29 3hj3 h ASP 60 N 0.00 0.53 -0.42 2.65 5.19 -1.21 -2.07 116.42 121.09 3hj3 h ASP 60 Ca 0.03 -0.14 0.03 0.00 -0.62 0.00 0.00 57.03 56.34 3hj3 h ASP 60 Cb 0.26 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3hj3 h ASP 60 CO -0.00 0.52 0.28 0.28 -3.12 0.00 0.00 179.24 177.20 3hj3 h SER 61 N 0.50 0.39 -0.09 6.45 0.02 0.21 -0.23 113.55 120.81 3hj3 h SER 61 Ca 0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3hj3 h SER 61 Cb 0.14 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3hj3 h SER 61 CO -0.02 0.27 0.00 -0.38 -1.14 0.00 0.00 176.83 175.56 3hj3 n ILE 62 N -4.48 0.11 -2.67 3.27 5.41 -0.88 -4.89 119.36 115.23 3hj3 n ILE 62 Ca 0.04 -0.18 -0.21 0.00 1.00 0.00 0.00 62.75 63.40 3hj3 n ILE 62 Cb 0.15 0.05 0.01 0.00 -0.71 0.00 0.00 39.64 39.14 3hj3 n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hj3 n GLY 63 N 0.96 -0.51 3.76 7.39 0.00 -0.10 -3.81 105.19 112.88 3hj3 n GLY 63 Ca 0.15 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3hj3 n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hj3 n ARG 64 N -3.45 -1.01 -3.99 1.61 1.74 -0.78 -4.99 116.66 105.79 3hj3 n ARG 64 Ca -0.19 0.43 -0.16 0.00 -0.77 0.00 0.00 57.85 57.16 3hj3 n ARG 64 Cb 0.66 -3.67 -0.15 0.00 -1.02 0.00 0.00 32.46 28.27 3hj3 n ARG 64 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hj3 s ARG 65 N -6.12 0.32 0.68 5.56 0.52 -1.25 -5.13 118.95 113.53 3hj3 s ARG 65 Ca 0.43 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.46 3hj3 s ARG 65 Cb -0.18 -0.42 -0.05 0.00 0.52 0.00 0.00 34.95 34.83 3hj3 s ARG 65 CO 0.89 -0.05 0.57 -0.35 0.02 0.00 0.00 175.30 176.37 3hj3 n PRO 66 N 3.70 0.40 -4.23 3.54 -0.04 -1.26 -4.99 135.00 132.11 3hj3 n PRO 66 Ca -0.22 0.17 -0.34 0.00 -0.04 0.00 0.00 63.50 63.07 3hj3 n PRO 66 Cb 0.54 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 3hj3 n PRO 66 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hj3 s LEU 67 N -0.18 3.33 0.50 1.53 1.43 -1.26 -5.08 118.68 118.96 3hj3 s LEU 67 Ca 0.67 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.43 3hj3 s LEU 67 Cb -0.38 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 3hj3 s LEU 67 CO 0.56 0.13 1.03 1.17 0.23 0.00 0.00 176.35 179.47 3hj3 n LYS 68 N 3.79 1.24 0.00 1.70 4.81 -1.26 -2.32 118.16 126.12 3hj3 n LYS 68 Ca -0.17 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3hj3 n LYS 68 Cb 0.52 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3hj3 n LYS 68 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hj3 n ASN 69 N -0.10 0.00 -4.99 3.14 3.02 -1.26 -4.92 115.26 110.14 3hj3 n ASN 69 Ca 0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.44 3hj3 n ASN 69 Cb 0.43 -0.28 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 3hj3 n ASN 69 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hj3 s ARG 70 N 0.00 2.29 -0.10 3.52 0.52 -0.98 -4.47 118.95 119.73 3hj3 s ARG 70 Ca 0.00 -1.77 -0.01 0.00 -0.52 0.00 0.00 55.73 53.43 3hj3 s ARG 70 Cb 0.00 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 33.03 3hj3 s ARG 70 CO 0.00 -0.79 -0.04 0.42 0.02 0.00 0.00 175.30 174.91 3hj3 s ILE 71 N -2.70 0.72 0.35 1.52 1.01 -1.08 -4.72 121.20 116.29 3hj3 s ILE 71 Ca 0.53 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 3hj3 s ILE 71 Cb -0.05 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3hj3 s ILE 71 CO 0.33 0.30 0.64 -0.63 0.00 0.00 0.00 174.94 175.59 3hj3 s ILE 72 N 1.83 4.94 -0.23 2.92 1.01 0.46 -0.82 121.20 131.32 3hj3 s ILE 72 Ca 0.05 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 3hj3 s ILE 72 Cb -0.13 -3.75 0.08 0.00 0.01 0.00 0.00 42.46 38.67 3hj3 s ILE 72 CO -0.07 -0.45 0.08 -0.69 0.00 0.00 0.00 174.94 173.82 3hj3 s VAL 73 N -2.25 0.29 0.01 2.92 1.01 0.13 -2.36 120.40 120.15 3hj3 s VAL 73 Ca 0.46 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3hj3 s VAL 73 Cb -0.10 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 3hj3 s VAL 73 CO 0.32 -0.44 0.58 -0.69 0.00 0.00 0.00 175.10 174.87 3hj3 s VAL 74 N 1.95 4.87 -0.42 2.92 1.01 -0.71 -0.63 120.40 129.40 3hj3 s VAL 74 Ca 0.04 1.22 -0.12 0.00 0.00 0.00 0.00 61.98 63.12 3hj3 s VAL 74 Cb -0.17 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.36 3hj3 s VAL 74 CO -0.18 0.46 0.28 -0.63 0.00 0.00 0.00 175.10 175.02 3hj3 s ILE 75 N -0.45 4.69 0.12 2.22 1.09 -0.12 -2.08 121.20 126.66 3hj3 s ILE 75 Ca 0.30 -1.07 -0.07 0.00 -1.10 0.00 0.00 60.65 58.71 3hj3 s ILE 75 Cb -0.18 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.46 3hj3 s ILE 75 CO 0.17 -0.42 0.19 -0.55 -0.10 0.00 0.00 174.94 174.24 3hj3 s SER 76 N 2.01 0.15 -0.17 3.58 0.15 -0.93 -3.46 113.70 115.02 3hj3 s SER 76 Ca 0.03 -0.83 0.09 0.00 0.70 0.00 0.00 55.95 55.94 3hj3 s SER 76 Cb -0.22 0.36 -0.23 0.00 -1.71 0.00 0.00 66.02 64.22 3hj3 s SER 76 CO 0.05 -0.78 0.18 -1.54 1.20 0.00 0.00 173.24 172.36 3hj3 n SER 77 N -0.11 0.99 -0.05 5.45 3.41 -1.26 -4.07 113.62 117.97 3hj3 n SER 77 Ca -0.11 0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.39 3hj3 n SER 77 Cb 0.63 0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.59 3hj3 n SER 77 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hj3 n SER 78 N -3.05 2.05 -4.58 4.04 3.41 -1.26 -4.98 113.62 109.25 3hj3 n SER 78 Ca -0.32 0.16 -0.55 0.00 -0.26 0.00 0.00 58.87 57.90 3hj3 n SER 78 Cb 1.08 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 3hj3 n SER 78 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hj3 n LEU 79 N -3.61 2.22 -4.71 1.04 0.00 -1.26 -4.86 117.00 105.82 3hj3 n LEU 79 Ca -0.37 0.82 -0.37 0.00 0.00 0.00 0.00 56.01 56.10 3hj3 n LEU 79 Cb 0.97 -1.17 0.08 0.00 0.00 0.00 0.00 43.42 43.30 3hj3 n LEU 79 CO 0.33 -0.53 0.85 -2.65 0.00 0.00 0.00 177.39 175.38 3hj3 n PRO 80 N 6.57 0.95 -1.12 1.96 -0.02 -1.26 -4.91 135.00 137.17 3hj3 n PRO 80 Ca 0.34 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 3hj3 n PRO 80 Cb 0.15 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 3hj3 n PRO 80 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hj3 n GLN 81 N -2.03 2.25 -1.48 -0.52 -0.06 -1.26 -4.87 117.38 109.41 3hj3 n GLN 81 Ca 0.15 -1.88 -0.35 0.00 -2.00 0.00 0.00 57.00 52.92 3hj3 n GLN 81 Cb 0.48 -2.80 0.09 0.00 -4.06 0.00 0.00 30.24 23.96 3hj3 n GLN 81 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3hj3 s ASP 82 N 3.73 4.23 0.00 1.69 -4.77 -1.26 -4.95 116.67 115.34 3hj3 s ASP 82 Ca 0.51 2.44 0.12 0.00 -3.30 0.00 0.00 52.55 52.32 3hj3 s ASP 82 Cb 0.13 -2.60 -0.06 0.00 -1.09 0.00 0.00 42.92 39.30 3hj3 s ASP 82 CO 0.00 -2.24 0.59 -0.62 0.70 0.00 0.00 175.17 173.60 3hj3 n GLU 83 N -2.55 2.60 0.03 2.11 -0.58 -1.26 -4.74 120.64 116.24 3hj3 n GLU 83 Ca 0.14 -0.33 -0.10 0.00 -0.42 0.00 0.00 57.16 56.45 3hj3 n GLU 83 Cb 0.50 -1.09 -0.06 0.00 -0.57 0.00 0.00 31.44 30.21 3hj3 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hj3 h ALA 84 N 1.85 -0.77 -2.54 0.62 0.00 -1.96 -3.42 119.26 113.04 3hj3 h ALA 84 Ca 0.00 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.19 3hj3 h ALA 84 Cb 0.34 0.80 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 3hj3 h ALA 84 CO 0.00 -0.88 -0.26 0.34 0.00 0.00 0.00 179.25 178.45 3hj3 s ASP 85 N -3.93 6.19 0.18 0.00 -1.08 -1.26 -4.93 116.67 111.84 3hj3 s ASP 85 Ca -0.10 -0.33 0.19 0.00 -0.52 0.00 0.00 52.55 51.79 3hj3 s ASP 85 Cb 0.04 -2.21 0.83 0.00 -1.46 0.00 0.00 42.92 40.13 3hj3 s ASP 85 CO 0.38 -0.40 1.58 -0.81 0.52 0.00 0.00 175.17 176.44 3hj3 n PRO 86 N 5.45 0.12 0.00 4.34 -0.04 -1.26 -3.36 135.00 140.25 3hj3 n PRO 86 Ca -0.08 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.86 3hj3 n PRO 86 Cb 0.49 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 3hj3 n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hj3 n ASN 87 N -1.99 0.27 -4.82 3.54 3.02 -1.26 -4.85 115.26 109.18 3hj3 n ASN 87 Ca 0.02 0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.37 3hj3 n ASN 87 Cb 0.17 1.31 -0.06 0.00 -0.61 0.00 0.00 39.78 40.58 3hj3 n ASN 87 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hj3 s VAL 88 N -3.25 4.83 -0.09 2.41 1.01 -1.21 0.17 120.40 124.27 3hj3 s VAL 88 Ca -0.06 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3hj3 s VAL 88 Cb 0.11 -3.30 0.11 0.00 0.00 0.00 0.00 36.38 33.30 3hj3 s VAL 88 CO 0.86 0.20 0.89 0.54 0.00 0.00 0.00 175.10 177.59 3hj3 s VAL 89 N -1.36 0.00 -0.04 2.92 0.11 -1.00 -4.66 120.40 116.37 3hj3 s VAL 89 Ca 0.29 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.39 3hj3 s VAL 89 Cb -0.12 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 3hj3 s VAL 89 CO 0.21 0.00 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.08 3hj3 s VAL 90 N -1.64 1.71 0.14 2.04 1.01 -1.26 -1.73 120.40 120.67 3hj3 s VAL 90 Ca -0.02 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.16 3hj3 s VAL 90 Cb -0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3hj3 s VAL 90 CO 0.01 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 175.03 3hj3 s PHE 91 N -0.19 1.91 -0.04 5.22 0.08 -0.88 -4.99 117.98 119.08 3hj3 s PHE 91 Ca -0.00 -0.43 0.12 0.00 0.12 0.00 0.00 56.93 56.74 3hj3 s PHE 91 Cb -0.11 -0.99 -0.09 0.00 -0.57 0.00 0.00 43.02 41.26 3hj3 s PHE 91 CO 0.02 0.31 1.24 0.00 -0.10 0.00 0.00 175.22 176.69 3hj3 h ARG 92 N 3.58 0.00 -3.82 0.44 2.47 -1.88 -2.47 114.38 112.70 3hj3 h ARG 92 Ca -0.45 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.16 3hj3 h ARG 92 Cb 1.19 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.36 3hj3 h ARG 92 CO 0.46 0.66 -0.47 0.54 0.56 0.00 0.00 179.97 181.72 3hj3 s ASN 93 N -6.44 0.18 0.06 7.04 4.22 -1.26 -4.47 114.94 114.26 3hj3 s ASN 93 Ca 0.01 -0.61 -0.19 0.00 -2.14 0.00 0.00 52.86 49.93 3hj3 s ASN 93 Cb 0.09 0.27 -0.08 0.00 1.28 0.00 0.00 41.25 42.81 3hj3 s ASN 93 CO 0.79 -0.61 1.31 0.25 -2.04 0.00 0.00 177.10 176.80 3hj3 h LEU 94 N 3.23 -0.89 -1.31 3.54 5.85 -1.96 -3.16 115.31 120.61 3hj3 h LEU 94 Ca -0.33 0.09 0.37 0.00 0.84 0.00 0.00 57.88 58.85 3hj3 h LEU 94 Cb 1.18 0.33 -0.12 0.00 0.37 0.00 0.00 40.66 42.42 3hj3 h LEU 94 CO 0.54 -0.31 0.74 -0.08 -0.34 0.00 0.00 178.44 178.99 3hj3 h GLU 95 N -0.42 0.20 -0.10 1.25 4.81 -1.98 -1.61 114.58 116.72 3hj3 h GLU 95 Ca -0.00 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 3hj3 h GLU 95 Cb 0.42 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3hj3 h GLU 95 CO -0.16 0.13 -0.72 0.22 -0.73 0.00 0.00 179.01 177.75 3hj3 h ASP 96 N 0.20 0.57 -0.78 1.04 1.82 -1.99 -3.12 116.42 114.15 3hj3 h ASP 96 Ca 0.75 -0.37 0.19 0.00 -0.39 0.00 0.00 57.03 57.21 3hj3 h ASP 96 Cb 2.13 -0.17 -0.13 0.00 0.68 0.00 0.00 39.33 41.84 3hj3 h ASP 96 CO -0.43 1.11 0.10 0.77 -1.61 0.00 0.00 179.24 179.18 3hj3 h SER 97 N 0.33 -0.19 0.00 2.28 4.64 -1.38 0.32 113.55 119.55 3hj3 h SER 97 Ca -0.03 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3hj3 h SER 97 Cb 1.31 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 63.68 3hj3 h SER 97 CO 0.13 -0.15 0.22 -0.38 -0.87 0.00 0.00 176.83 175.78 3hj3 n ILE 98 N -5.28 0.45 1.19 0.95 5.41 -1.18 -0.82 119.36 120.09 3hj3 n ILE 98 Ca 0.16 -0.20 0.13 0.00 1.00 0.00 0.00 62.75 63.84 3hj3 n ILE 98 Cb 0.52 -1.40 0.36 0.00 -0.71 0.00 0.00 39.64 38.41 3hj3 n ILE 98 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3hj3 n GLU 99 N 2.54 1.93 0.04 0.38 -0.00 0.11 -4.45 120.64 121.19 3hj3 n GLU 99 Ca 0.05 -1.36 0.17 0.00 -0.00 0.00 0.00 57.16 56.01 3hj3 n GLU 99 Cb 0.13 -1.46 0.66 0.00 -0.00 0.00 0.00 31.44 30.77 3hj3 n GLU 99 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3hj3 h ASN 100 N 3.11 0.05 0.77 -1.84 2.35 -1.24 -1.43 115.58 117.34 3hj3 h ASN 100 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3hj3 h ASN 100 Cb 0.67 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 3hj3 h ASN 100 CO 0.00 0.03 -0.68 -0.07 -1.65 0.00 0.00 177.43 175.06 3hj3 h LEU 101 N 0.05 0.00 0.00 1.61 3.38 -1.86 -3.33 115.31 115.16 3hj3 h LEU 101 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hj3 h LEU 101 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hj3 h LEU 101 CO -0.01 0.68 0.00 0.80 0.09 0.00 0.00 178.44 180.00 3hj3 n MET 102 N -3.64 0.67 -1.12 1.13 1.56 -0.54 -4.83 117.12 110.35 3hj3 n MET 102 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 3hj3 n MET 102 Cb 0.69 -1.08 0.00 0.00 2.15 0.00 0.00 33.22 34.98 3hj3 n MET 102 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 3hj3 n ASN 103 N -0.58 0.00 -3.73 6.12 2.04 -1.25 -5.00 115.26 112.86 3hj3 n ASN 103 Ca 0.03 0.00 -0.31 0.00 -0.44 0.00 0.00 54.58 53.86 3hj3 n ASN 103 Cb 0.01 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.30 3hj3 n ASN 103 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 3hj3 n ASP 104 N 0.20 -4.38 0.00 0.53 9.92 -1.26 -4.68 116.55 116.88 3hj3 n ASP 104 Ca 0.00 -1.01 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 3hj3 n ASP 104 Cb 0.00 -3.33 0.00 0.00 -0.64 0.00 0.00 41.12 37.15 3hj3 n ASP 104 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3hj3 n ASP 105 N -2.73 0.00 -0.38 -2.24 9.92 -1.26 0.52 116.55 120.38 3hj3 n ASP 105 Ca -0.13 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.24 3hj3 n ASP 105 Cb 0.61 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.14 3hj3 n ASP 105 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3hj3 n SER 106 N -0.61 1.68 -4.60 -2.24 3.41 -1.26 -4.89 113.62 105.11 3hj3 n SER 106 Ca 0.00 -1.31 -0.38 0.00 -0.26 0.00 0.00 58.87 56.92 3hj3 n SER 106 Cb 0.00 0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 3hj3 n SER 106 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hj3 s ILE 107 N -2.56 5.25 -0.16 -1.33 1.09 1.97 0.17 121.20 125.62 3hj3 s ILE 107 Ca 0.18 0.35 -0.13 0.00 -1.10 0.00 0.00 60.65 59.95 3hj3 s ILE 107 Cb 0.18 -3.60 -0.07 0.00 -1.06 0.00 0.00 42.46 37.90 3hj3 s ILE 107 CO 0.61 0.21 -0.09 1.21 -0.10 0.00 0.00 174.94 176.77 3hj3 n GLU 108 N 5.17 0.49 -4.44 2.79 2.13 -0.51 -4.91 120.64 121.36 3hj3 n GLU 108 Ca -0.12 0.52 -0.22 0.00 0.66 0.00 0.00 57.16 58.01 3hj3 n GLU 108 Cb 0.51 -1.69 -0.10 0.00 0.27 0.00 0.00 31.44 30.43 3hj3 n GLU 108 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3hj3 s ASN 109 N -6.06 2.94 -0.03 4.31 0.01 -1.26 -4.24 114.94 110.62 3hj3 s ASN 109 Ca -0.19 -1.18 0.03 0.00 -0.71 0.00 0.00 52.86 50.80 3hj3 s ASN 109 Cb 0.03 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.50 3hj3 s ASN 109 CO 0.32 -0.30 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.89 3hj3 s ILE 110 N -2.93 0.87 0.01 0.60 1.01 0.39 -0.80 121.20 120.35 3hj3 s ILE 110 Ca 0.30 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.59 3hj3 s ILE 110 Cb 0.03 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 3hj3 s ILE 110 CO 0.13 0.27 -0.11 -0.36 0.00 0.00 0.00 174.94 174.86 3hj3 s PHE 111 N 0.25 0.99 -0.45 3.97 0.08 0.36 -2.04 117.98 121.14 3hj3 s PHE 111 Ca -0.05 -0.24 -0.07 0.00 0.12 0.00 0.00 56.93 56.70 3hj3 s PHE 111 Cb -0.10 -0.62 0.12 0.00 -0.57 0.00 0.00 43.02 41.85 3hj3 s PHE 111 CO 0.01 -0.01 0.30 0.08 -0.10 0.00 0.00 175.22 175.50 3hj3 s VAL 112 N -0.46 3.86 -0.50 -0.44 1.01 -1.08 -1.10 120.40 121.68 3hj3 s VAL 112 Ca 0.03 -1.92 0.24 0.00 0.00 0.00 0.00 61.98 60.32 3hj3 s VAL 112 Cb -0.05 -3.58 0.18 0.00 0.00 0.00 0.00 36.38 32.93 3hj3 s VAL 112 CO 0.00 -0.75 1.45 0.00 0.00 0.00 0.00 175.10 175.80 3hj3 n GLY 114 N 1.22 0.81 0.00 0.00 0.00 -1.21 -4.86 105.19 101.15 3hj3 n GLY 114 Ca 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3hj3 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hj3 n GLY 115 N 0.00 -1.24 0.33 -0.02 0.00 -1.26 -0.95 105.19 102.04 3hj3 n GLY 115 Ca 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 3hj3 n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hj3 h GLU 116 N 0.00 1.10 -0.11 1.61 4.81 -1.97 -0.23 114.58 119.79 3hj3 h GLU 116 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3hj3 h GLU 116 Cb 0.00 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3hj3 h GLU 116 CO 0.00 0.95 0.06 0.66 -0.73 0.00 0.00 179.01 179.95 3hj3 h SER 117 N 1.05 0.11 1.28 1.04 4.64 -1.92 -2.70 113.55 117.05 3hj3 h SER 117 Ca 0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hj3 h SER 117 Cb 0.32 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hj3 h SER 117 CO -0.01 0.08 0.00 -0.38 -0.87 0.00 0.00 176.83 175.65 3hj3 n ILE 118 N -5.02 0.66 0.18 0.95 2.08 -0.57 -2.10 119.36 115.54 3hj3 n ILE 118 Ca -0.05 -0.15 -0.11 0.00 0.56 0.00 0.00 62.75 63.01 3hj3 n ILE 118 Cb 0.03 -0.75 -0.06 0.00 -0.75 0.00 0.00 39.64 38.12 3hj3 n ILE 118 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 3hj3 h TYR 119 N 0.00 -0.48 -0.76 1.39 0.05 -1.04 -3.12 116.97 113.01 3hj3 h TYR 119 Ca 0.00 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 58.94 3hj3 h TYR 119 Cb 0.64 0.16 -0.13 0.00 1.01 0.00 0.00 36.73 38.41 3hj3 h TYR 119 CO 0.00 -0.19 0.07 -0.09 -1.05 0.00 0.00 178.16 176.90 3hj3 h ARG 120 N -1.04 0.15 -0.01 4.88 2.43 -1.08 -1.91 114.38 117.80 3hj3 h ARG 120 Ca -0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hj3 h ARG 120 Cb 0.50 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3hj3 h ARG 120 CO 0.09 0.10 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.20 3hj3 h ASP 121 N 0.15 0.02 0.01 -3.80 3.45 -1.59 0.20 116.42 114.86 3hj3 h ASP 121 Ca 0.43 -0.41 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 3hj3 h ASP 121 Cb 0.76 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3hj3 h ASP 121 CO -0.62 0.42 -0.02 0.00 -1.57 0.00 0.00 179.24 177.45 3hj3 h ALA 122 N 0.59 1.89 0.00 3.45 0.00 -1.38 -1.15 119.26 122.66 3hj3 h ALA 122 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hj3 h ALA 122 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hj3 h ALA 122 CO 0.00 0.09 -0.11 1.25 0.00 0.00 0.00 179.25 180.48 3hj3 h LEU 123 N 0.06 0.00 -0.14 0.00 5.85 -1.33 -2.50 115.31 117.25 3hj3 h LEU 123 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hj3 h LEU 123 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hj3 h LEU 123 CO 0.00 0.54 0.00 1.17 -0.34 0.00 0.00 178.44 179.82 3hj3 n LYS 124 N -4.69 0.01 -0.05 1.25 4.81 0.71 -1.25 118.16 118.96 3hj3 n LYS 124 Ca -0.02 0.51 0.10 0.00 -0.87 0.00 0.00 58.31 58.03 3hj3 n LYS 124 Cb 0.06 -1.55 0.11 0.00 0.02 0.00 0.00 35.03 33.67 3hj3 n LYS 124 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hj3 n ASP 125 N -1.57 2.76 -3.91 3.14 10.43 -0.44 -5.01 116.55 121.96 3hj3 n ASP 125 Ca -0.00 -1.83 -0.26 0.00 2.57 0.00 0.00 54.79 55.27 3hj3 n ASP 125 Cb 0.01 -0.06 -0.01 0.00 1.84 0.00 0.00 41.12 42.89 3hj3 n ASP 125 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3hj3 n ASN 126 N 1.11 -0.92 -1.02 -2.24 2.85 -0.38 -4.86 115.26 109.81 3hj3 n ASN 126 Ca 0.13 -1.00 0.10 0.00 -0.11 0.00 0.00 54.58 53.70 3hj3 n ASN 126 Cb 0.49 -3.14 0.21 0.00 1.24 0.00 0.00 39.78 38.57 3hj3 n ASN 126 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hj3 n PHE 127 N -4.38 0.54 -3.72 1.20 0.99 -0.95 -5.02 117.46 106.12 3hj3 n PHE 127 Ca -0.29 -0.32 -0.38 0.00 -0.00 0.00 0.00 57.45 56.46 3hj3 n PHE 127 Cb 0.68 -0.01 -0.11 0.00 -1.00 0.00 0.00 39.48 39.04 3hj3 n PHE 127 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3hj3 s VAL 128 N -1.23 3.75 0.15 -4.37 0.11 -1.25 -4.69 120.40 112.86 3hj3 s VAL 128 Ca 0.35 -1.47 -0.09 0.00 -2.93 0.00 0.00 61.98 57.84 3hj3 s VAL 128 Cb 0.20 -3.29 -0.07 0.00 -1.53 0.00 0.00 36.38 31.69 3hj3 s VAL 128 CO 0.27 -0.41 1.45 0.44 -3.33 0.00 0.00 175.10 173.52 3hj3 h ASP 129 N 8.23 0.90 -4.52 3.54 3.45 -0.84 -3.45 116.42 123.73 3hj3 h ASP 129 Ca -0.21 -0.47 -0.08 0.00 0.43 0.00 0.00 57.03 56.71 3hj3 h ASP 129 Cb 1.07 -0.26 -0.21 0.00 -0.56 0.00 0.00 39.33 39.38 3hj3 h ASP 129 CO 0.67 1.25 -0.02 -0.60 -1.57 0.00 0.00 179.24 178.97 3hj3 s ARG 130 N -4.16 0.80 -0.16 3.56 3.52 -1.22 -2.21 118.95 119.08 3hj3 s ARG 130 Ca -0.10 0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.92 3hj3 s ARG 130 Cb 0.11 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 3hj3 s ARG 130 CO 0.88 -0.18 -0.20 0.42 -0.81 0.00 0.00 175.30 175.40 3hj3 s ILE 131 N -0.55 2.02 -0.61 4.11 1.01 0.95 -1.15 121.20 126.97 3hj3 s ILE 131 Ca -0.07 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 3hj3 s ILE 131 Cb -0.03 -1.81 0.15 0.00 0.01 0.00 0.00 42.46 40.78 3hj3 s ILE 131 CO 0.05 0.54 0.56 -0.31 0.00 0.00 0.00 174.94 175.77 3hj3 s TYR 132 N 1.10 3.38 -0.27 3.97 1.51 0.10 0.16 117.35 127.30 3hj3 s TYR 132 Ca -0.00 -1.48 -0.09 0.00 -1.01 0.00 0.00 57.07 54.49 3hj3 s TYR 132 Cb -0.14 -3.79 -0.03 0.00 -0.11 0.00 0.00 41.96 37.88 3hj3 s TYR 132 CO -0.08 -1.01 0.12 -1.17 -1.11 0.00 0.00 175.55 172.30 3hj3 s LEU 133 N 1.24 3.74 -0.97 -1.29 0.20 -0.56 -0.34 118.68 120.70 3hj3 s LEU 133 Ca 0.07 -0.19 -0.18 0.00 0.69 0.00 0.00 54.13 54.52 3hj3 s LEU 133 Cb -0.25 -2.00 0.13 0.00 -0.43 0.00 0.00 46.19 43.63 3hj3 s LEU 133 CO 0.00 -0.06 1.19 -0.89 -0.29 0.00 0.00 176.35 176.30 3hj3 s THR 134 N 1.67 4.70 -0.24 3.68 2.01 0.65 -1.50 115.64 126.61 3hj3 s THR 134 Ca 0.06 -1.65 -0.28 0.00 0.31 0.00 0.00 61.69 60.13 3hj3 s THR 134 Cb -0.16 -4.82 -0.05 0.00 0.01 0.00 0.00 72.50 67.48 3hj3 s THR 134 CO 0.07 -1.56 2.21 -0.13 -0.69 0.00 0.00 174.62 174.52 3hj3 s ARG 135 N 2.73 3.07 -0.17 4.92 0.52 -1.15 -1.84 118.95 127.04 3hj3 s ARG 135 Ca 0.35 1.95 -0.07 0.00 -0.52 0.00 0.00 55.73 57.45 3hj3 s ARG 135 Cb -0.04 -4.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.01 3hj3 s ARG 135 CO -0.08 -2.18 0.06 0.08 0.02 0.00 0.00 175.30 173.20 3hj3 s VAL 136 N 8.50 4.79 -1.04 3.52 1.01 0.10 -1.30 120.40 135.98 3hj3 s VAL 136 Ca 0.99 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 3hj3 s VAL 136 Cb -0.31 -3.14 0.31 0.00 0.00 0.00 0.00 36.38 33.24 3hj3 s VAL 136 CO 0.34 0.49 1.61 0.00 0.00 0.00 0.00 175.10 177.54 3hj3 n ALA 137 N 3.23 5.53 -3.68 5.51 0.00 -0.47 -0.06 120.51 130.57 3hj3 n ALA 137 Ca -0.17 -4.72 -0.13 0.00 0.00 0.00 0.00 53.44 48.41 3hj3 n ALA 137 Cb 0.53 -2.22 -0.13 0.00 0.00 0.00 0.00 19.45 17.63 3hj3 n ALA 137 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hj3 s LEU 138 N -3.46 -0.11 0.00 0.00 2.34 -1.26 -4.53 118.68 111.65 3hj3 s LEU 138 Ca 0.35 0.58 0.00 0.00 0.06 0.00 0.00 54.13 55.12 3hj3 s LEU 138 Cb 0.12 0.73 0.00 0.00 -0.56 0.00 0.00 46.19 46.47 3hj3 s LEU 138 CO 0.00 -0.22 0.48 1.21 -1.06 0.00 0.00 176.35 176.76 3hj3 n GLU 139 N 5.03 0.00 -3.79 1.48 4.07 -1.26 -4.83 120.64 121.34 3hj3 n GLU 139 Ca -0.12 -0.48 -0.28 0.00 -0.06 0.00 0.00 57.16 56.23 3hj3 n GLU 139 Cb 0.51 -0.46 -0.12 0.00 -0.06 0.00 0.00 31.44 31.31 3hj3 n GLU 139 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3hj3 s ASP 140 N -0.03 4.06 -0.28 4.31 -0.00 -1.26 -5.00 116.67 118.47 3hj3 s ASP 140 Ca 0.00 -3.56 -0.16 0.00 -0.00 0.00 0.00 52.55 48.83 3hj3 s ASP 140 Cb 0.00 -1.37 0.08 0.00 -0.00 0.00 0.00 42.92 41.63 3hj3 s ASP 140 CO 0.00 -0.12 0.68 0.27 -0.00 0.00 0.00 175.17 176.00 3hj3 s ILE 141 N -0.96 -0.00 0.13 0.77 -4.36 -1.26 -5.13 121.20 110.39 3hj3 s ILE 141 Ca 0.25 0.00 -0.35 0.00 -0.26 0.00 0.00 60.65 60.29 3hj3 s ILE 141 Cb -0.06 -0.99 -0.15 0.00 1.25 0.00 0.00 42.46 42.51 3hj3 s ILE 141 CO -0.15 0.00 1.41 1.21 0.24 0.00 0.00 174.94 177.65 3hj3 n GLU 142 N 4.27 1.53 -4.67 0.37 2.13 -1.26 -4.98 120.64 118.04 3hj3 n GLU 142 Ca -0.20 0.55 -0.30 0.00 0.66 0.00 0.00 57.16 57.87 3hj3 n GLU 142 Cb 0.59 -2.22 -0.13 0.00 0.27 0.00 0.00 31.44 29.94 3hj3 n GLU 142 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3hj3 s PHE 143 N 0.53 2.43 0.00 4.31 0.08 -1.26 -4.78 117.98 119.29 3hj3 s PHE 143 Ca 0.81 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.52 3hj3 s PHE 143 Cb -0.84 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 3hj3 s PHE 143 CO 0.44 0.24 0.18 -0.40 -0.10 0.00 0.00 175.22 175.58 3hj3 n ASP 144 N 1.45 0.36 -4.15 1.36 5.68 0.65 -4.98 116.55 116.92 3hj3 n ASP 144 Ca -0.17 -0.69 -0.18 0.00 -0.50 0.00 0.00 54.79 53.26 3hj3 n ASP 144 Cb 0.52 0.34 -0.12 0.00 -1.14 0.00 0.00 41.12 40.72 3hj3 n ASP 144 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hj3 s THR 145 N -0.34 1.03 0.30 2.12 2.01 -1.14 -4.95 115.64 114.69 3hj3 s THR 145 Ca 0.00 -1.23 0.04 0.00 0.31 0.00 0.00 61.69 60.80 3hj3 s THR 145 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3hj3 s THR 145 CO 0.00 -0.22 0.19 -0.31 -0.69 0.00 0.00 174.62 173.59 3hj3 s TYR 146 N -1.23 1.60 -0.14 4.92 2.02 -1.26 -1.99 117.35 121.27 3hj3 s TYR 146 Ca -0.03 -1.45 -0.03 0.00 -0.37 0.00 0.00 57.07 55.19 3hj3 s TYR 146 Cb -0.10 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.64 3hj3 s TYR 146 CO 0.02 -0.62 -0.03 0.12 -1.57 0.00 0.00 175.55 173.47 3hj3 s PHE 147 N -3.61 3.04 0.67 2.71 2.19 -0.23 -4.55 117.98 118.19 3hj3 s PHE 147 Ca 0.37 -0.19 -0.16 0.00 0.33 0.00 0.00 56.93 57.27 3hj3 s PHE 147 Cb 0.04 -1.92 0.01 0.00 -1.31 0.00 0.00 43.02 39.84 3hj3 s PHE 147 CO 0.19 0.07 1.19 -1.25 1.83 0.00 0.00 175.22 177.25 3hj3 s PRO 148 N 0.09 2.56 0.45 10.12 0.04 -1.26 -4.87 135.00 142.13 3hj3 s PRO 148 Ca -0.00 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 3hj3 s PRO 148 Cb -0.13 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 3hj3 s PRO 148 CO 0.03 -1.50 0.78 0.39 0.04 0.00 0.00 177.00 176.74 3hj3 n GLU 149 N -2.27 0.91 -2.43 4.56 -0.58 -1.26 -4.87 120.64 114.71 3hj3 n GLU 149 Ca 0.13 0.33 -0.42 0.00 -0.42 0.00 0.00 57.16 56.78 3hj3 n GLU 149 Cb 0.50 -1.81 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 3hj3 n GLU 149 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3hj3 s ILE 150 N -1.42 4.15 -0.40 -3.67 1.01 -1.26 -4.92 121.20 114.69 3hj3 s ILE 150 Ca 0.65 1.50 -0.42 0.00 0.00 0.00 0.00 60.65 62.38 3hj3 s ILE 150 Cb -0.55 -3.96 -0.17 0.00 0.01 0.00 0.00 42.46 37.79 3hj3 s ILE 150 CO 0.56 0.03 1.88 -0.81 0.00 0.00 0.00 174.94 176.60 3hj3 n PRO 151 N 4.89 0.60 0.11 2.79 -0.04 -1.26 -4.77 135.00 137.31 3hj3 n PRO 151 Ca 0.11 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 3hj3 n PRO 151 Cb 0.46 -1.88 0.17 0.00 -0.04 0.00 0.00 33.50 32.21 3hj3 n PRO 151 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hj3 n GLU 152 N 6.04 0.05 0.00 0.54 1.02 -1.26 -0.12 120.64 126.91 3hj3 n GLU 152 Ca 0.37 0.43 0.10 0.00 -0.02 0.00 0.00 57.16 58.04 3hj3 n GLU 152 Cb 0.06 -2.04 0.46 0.00 -0.02 0.00 0.00 31.44 29.90 3hj3 n GLU 152 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hj3 n THR 153 N -1.72 0.52 -3.72 2.62 -2.24 -1.26 -4.83 114.28 103.66 3hj3 n THR 153 Ca -0.00 0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.54 3hj3 n THR 153 Cb 0.40 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 3hj3 n THR 153 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hj3 s PHE 154 N -3.00 3.57 -0.02 4.78 0.08 0.83 -4.07 117.98 120.15 3hj3 s PHE 154 Ca 0.10 0.61 0.06 0.00 0.12 0.00 0.00 56.93 57.82 3hj3 s PHE 154 Cb 0.14 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3hj3 s PHE 154 CO 0.39 0.56 -0.20 -0.51 -0.10 0.00 0.00 175.22 175.37 3hj3 s LEU 155 N -0.56 2.03 0.12 -0.37 1.43 0.75 -4.94 118.68 117.14 3hj3 s LEU 155 Ca 0.16 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 3hj3 s LEU 155 Cb -0.13 -1.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 3hj3 s LEU 155 CO 0.05 0.24 1.31 -2.16 0.23 0.00 0.00 176.35 176.02 3hj3 s PRO 156 N -0.43 4.37 0.00 1.29 0.04 -1.26 0.18 135.00 139.19 3hj3 s PRO 156 Ca 0.07 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.17 3hj3 s PRO 156 Cb -0.08 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 31.29 3hj3 s PRO 156 CO -0.00 -0.33 0.84 1.33 0.04 0.00 0.00 177.00 178.87 3hj3 n VAL 157 N 3.61 0.16 -3.64 -0.36 0.24 -1.11 -3.15 118.33 114.09 3hj3 n VAL 157 Ca 0.09 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 3hj3 n VAL 157 Cb 0.44 1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 3hj3 n VAL 157 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3hj3 s TYR 158 N -0.75 -0.79 -0.17 6.34 5.04 -1.25 -4.09 117.35 121.67 3hj3 s TYR 158 Ca 0.11 1.72 -0.07 0.00 -2.44 0.00 0.00 57.07 56.40 3hj3 s TYR 158 Cb 0.07 0.43 0.08 0.00 0.35 0.00 0.00 41.96 42.89 3hj3 s TYR 158 CO 0.11 -0.39 0.37 1.41 -1.34 0.00 0.00 175.55 175.71 3hj3 s MET 159 N 0.98 0.28 0.75 4.97 -2.45 -1.19 -3.11 119.30 119.54 3hj3 s MET 159 Ca -0.05 0.91 -0.01 0.00 -1.25 0.00 0.00 55.69 55.28 3hj3 s MET 159 Cb -0.05 0.17 0.14 0.00 1.25 0.00 0.00 34.83 36.35 3hj3 s MET 159 CO -0.11 -0.24 1.04 -1.54 1.05 0.00 0.00 175.02 175.21 3hj3 s SER 160 N 2.33 4.16 0.64 1.11 1.04 -0.61 -1.87 113.70 120.50 3hj3 s SER 160 Ca -0.02 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.83 3hj3 s SER 160 Cb -0.11 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 3hj3 s SER 160 CO -0.11 -2.00 1.17 0.00 0.98 0.00 0.00 173.24 173.27 3hj3 s GLN 161 N -5.22 2.77 0.28 4.02 -2.07 -1.26 -3.48 119.66 114.71 3hj3 s GLN 161 Ca 0.68 1.66 -0.29 0.00 -1.82 0.00 0.00 55.36 55.59 3hj3 s GLN 161 Cb -0.04 -1.92 -0.10 0.00 -1.09 0.00 0.00 33.01 29.85 3hj3 s GLN 161 CO 0.45 -1.32 1.37 0.99 -1.32 0.00 0.00 175.29 175.46 3hj3 s THR 162 N -1.92 2.75 0.44 3.63 2.01 -1.26 -4.62 115.64 116.67 3hj3 s THR 162 Ca 0.73 0.68 0.07 0.00 0.31 0.00 0.00 61.69 63.48 3hj3 s THR 162 Cb -0.26 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3hj3 s THR 162 CO 0.37 0.13 0.37 -0.36 -0.69 0.00 0.00 174.62 174.45 3hj3 s PHE 163 N -0.50 2.49 -0.06 4.92 0.40 0.20 -4.61 117.98 120.83 3hj3 s PHE 163 Ca 0.54 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 3hj3 s PHE 163 Cb -0.40 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.03 3hj3 s PHE 163 CO 0.47 -0.18 -0.09 0.00 0.70 0.00 0.00 175.22 176.12 3hj3 s THR 165 N 0.79 -0.20 -1.49 0.00 2.01 -1.10 -4.91 115.64 110.73 3hj3 s THR 165 Ca -0.13 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 3hj3 s THR 165 Cb -0.15 -0.28 0.03 0.00 0.01 0.00 0.00 72.50 72.11 3hj3 s THR 165 CO 0.02 0.13 0.07 0.29 -0.69 0.00 0.00 174.62 174.44 3hj3 n LYS 166 N 5.02 -0.92 -1.08 4.92 5.02 -1.26 -0.96 118.16 128.90 3hj3 n LYS 166 Ca -0.11 0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 3hj3 n LYS 166 Cb 0.50 -3.49 -0.01 0.00 -0.02 0.00 0.00 35.03 32.01 3hj3 n LYS 166 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hj3 n ASN 167 N -2.63 -4.03 -4.37 4.39 5.03 -1.26 -5.02 115.26 107.37 3hj3 n ASN 167 Ca -0.25 0.07 -0.36 0.00 0.87 0.00 0.00 54.58 54.90 3hj3 n ASN 167 Cb 0.63 -1.77 -0.13 0.00 -1.02 0.00 0.00 39.78 37.48 3hj3 n ASN 167 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hj3 s ILE 168 N -1.87 3.88 0.30 2.41 1.01 -0.14 -4.79 121.20 122.01 3hj3 s ILE 168 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 3hj3 s ILE 168 Cb 0.00 -2.87 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 3hj3 s ILE 168 CO 0.00 0.28 0.99 -0.44 0.00 0.00 0.00 174.94 175.77 3hj3 s SER 169 N 1.53 7.33 0.02 3.58 0.01 -1.26 -2.70 113.70 122.22 3hj3 s SER 169 Ca 0.05 1.98 -0.17 0.00 1.31 0.00 0.00 55.95 59.11 3hj3 s SER 169 Cb -0.16 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.51 3hj3 s SER 169 CO 0.01 -0.08 0.39 -0.72 0.41 0.00 0.00 173.24 173.25 3hj3 s TYR 170 N -1.41 -0.24 0.42 2.43 1.13 -0.99 -1.37 117.35 117.32 3hj3 s TYR 170 Ca 0.48 0.26 0.07 0.00 -1.41 0.00 0.00 57.07 56.46 3hj3 s TYR 170 Cb -0.24 0.18 -0.06 0.00 -1.10 0.00 0.00 41.96 40.74 3hj3 s TYR 170 CO 0.30 -0.52 0.08 -0.51 -2.51 0.00 0.00 175.55 172.39 3hj3 s ASP 171 N -1.79 4.12 -0.12 -0.18 -0.00 -0.42 -0.63 116.67 117.65 3hj3 s ASP 171 Ca -0.08 -1.28 0.03 0.00 -0.00 0.00 0.00 52.55 51.22 3hj3 s ASP 171 Cb -0.02 -0.34 0.01 0.00 -0.00 0.00 0.00 42.92 42.57 3hj3 s ASP 171 CO 0.00 -0.53 -0.20 -0.36 -0.00 0.00 0.00 175.17 174.08 3hj3 s PHE 172 N -2.68 2.46 0.16 4.23 0.08 -1.26 -2.91 117.98 118.06 3hj3 s PHE 172 Ca 0.35 -1.18 0.10 0.00 0.12 0.00 0.00 56.93 56.32 3hj3 s PHE 172 Cb 0.07 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3hj3 s PHE 172 CO 0.19 -0.54 -0.20 0.00 -0.10 0.00 0.00 175.22 174.57 3hj3 s MET 173 N 0.78 1.69 -0.26 0.44 0.23 -0.56 -1.57 119.30 120.05 3hj3 s MET 173 Ca -0.09 -1.35 0.01 0.00 -1.03 0.00 0.00 55.69 53.23 3hj3 s MET 173 Cb -0.16 -1.99 0.07 0.00 -1.53 0.00 0.00 34.83 31.22 3hj3 s MET 173 CO -0.00 0.44 -0.01 0.96 -2.03 0.00 0.00 175.02 174.38 3hj3 s ILE 174 N -1.45 1.51 0.37 3.16 -4.36 -1.18 -1.50 121.20 117.76 3hj3 s ILE 174 Ca 0.20 -1.43 -0.24 0.00 -0.26 0.00 0.00 60.65 58.92 3hj3 s ILE 174 Cb -0.09 -1.90 -0.10 0.00 1.25 0.00 0.00 42.46 41.61 3hj3 s ILE 174 CO 0.10 -0.29 0.97 -0.36 0.24 0.00 0.00 174.94 175.60 3hj3 s PHE 175 N 1.36 3.50 0.07 1.37 0.40 0.41 -2.73 117.98 122.36 3hj3 s PHE 175 Ca -0.00 1.71 0.05 0.00 -0.60 0.00 0.00 56.93 58.09 3hj3 s PHE 175 Cb -0.19 -2.94 -0.03 0.00 0.51 0.00 0.00 43.02 40.37 3hj3 s PHE 175 CO -0.10 -0.04 -0.15 -2.00 0.70 0.00 0.00 175.22 173.63 3hj3 s GLU 176 N -2.46 0.89 -0.42 0.44 2.12 0.13 -0.04 118.70 119.36 3hj3 s GLU 176 Ca 0.55 -0.94 -0.05 0.00 0.36 0.00 0.00 54.97 54.89 3hj3 s GLU 176 Cb -0.17 -0.94 0.10 0.00 0.26 0.00 0.00 34.13 33.39 3hj3 s GLU 176 CO 0.21 0.22 0.24 0.21 -0.54 0.00 0.00 175.26 175.60 3hj3 s LYS 177 N -1.61 2.24 0.00 4.30 2.20 -0.94 -0.18 119.74 125.76 3hj3 s LYS 177 Ca 0.00 -1.72 0.00 0.00 -0.36 0.00 0.00 55.97 53.89 3hj3 s LYS 177 Cb -0.09 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 3hj3 s LYS 177 CO 0.02 -1.06 0.00 1.04 -0.36 0.00 0.00 175.35 174.99 3hj3 n GLN 178 N 4.73 3.45 -3.15 4.03 1.13 -1.26 -4.97 117.38 121.33 3hj3 n GLN 178 Ca -0.06 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.67 3hj3 n GLN 178 Cb 0.42 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.70 3hj3 n GLN 178 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hj3 s LEU 193 N 0.00 4.15 0.22 1.08 1.43 -1.26 -5.03 118.68 119.27 3hj3 s LEU 193 Ca 0.00 1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 54.38 3hj3 s LEU 193 Cb 0.00 -3.90 0.20 0.00 0.03 0.00 0.00 46.19 42.52 3hj3 s LEU 193 CO 0.00 -0.12 1.56 0.50 0.23 0.00 0.00 176.35 178.51 3hj3 h LYS 194 N 2.62 0.47 -1.00 1.70 3.64 -2.05 -2.80 116.57 119.15 3hj3 h LYS 194 Ca -0.48 -0.28 0.26 0.00 -1.27 0.00 0.00 60.65 58.89 3hj3 h LYS 194 Cb 1.18 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 3hj3 h LYS 194 CO 0.66 0.87 0.67 0.66 -2.27 0.00 0.00 179.45 180.03 3hj3 h SER 195 N 0.37 0.31 0.06 4.20 4.64 -2.05 0.37 113.55 121.44 3hj3 h SER 195 Ca 0.02 0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 3hj3 h SER 195 Cb 1.02 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3hj3 h SER 195 CO 0.09 0.08 -0.79 0.40 -0.87 0.00 0.00 176.83 175.74 3hj3 h ILE 196 N 0.29 1.42 -0.31 0.95 2.04 -1.95 -2.91 117.51 117.04 3hj3 h ILE 196 Ca 0.53 -2.27 -0.10 0.00 1.00 0.00 0.00 64.86 64.01 3hj3 h ILE 196 Cb 1.55 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 40.38 3hj3 h ILE 196 CO -0.18 0.66 -0.24 0.44 0.00 0.00 0.00 178.15 178.84 3hj3 h ASP 197 N -0.09 0.61 0.04 1.72 3.32 -1.21 -2.89 116.42 117.93 3hj3 h ASP 197 Ca -0.12 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 3hj3 h ASP 197 Cb 1.52 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 3hj3 h ASP 197 CO 0.15 0.84 -0.04 0.44 -1.72 0.00 0.00 179.24 178.91 3hj3 h ASP 198 N 0.53 -0.10 -0.89 6.45 3.45 -0.42 -2.47 116.42 122.97 3hj3 h ASP 198 Ca 0.08 0.01 0.24 0.00 0.43 0.00 0.00 57.03 57.78 3hj3 h ASP 198 Cb 0.69 0.03 -0.15 0.00 -0.56 0.00 0.00 39.33 39.35 3hj3 h ASP 198 CO 0.05 -0.05 0.16 0.74 -1.57 0.00 0.00 179.24 178.57 3hj3 h THR 199 N -0.08 0.24 -0.63 0.35 2.02 -1.55 0.12 112.91 113.38 3hj3 h THR 199 Ca -0.01 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3hj3 h THR 199 Cb 0.07 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 3hj3 h THR 199 CO -0.00 0.02 0.04 0.58 0.37 0.00 0.00 175.52 176.53 3hj3 h VAL 200 N 0.14 1.27 -0.39 3.16 2.07 -1.53 0.25 116.25 121.21 3hj3 h VAL 200 Ca 0.55 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3hj3 h VAL 200 Cb 1.12 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3hj3 h VAL 200 CO -0.72 0.41 0.16 0.44 0.02 0.00 0.00 177.57 177.87 3hj3 h ASP 201 N 0.99 0.53 -0.47 0.57 3.45 -0.34 0.26 116.42 121.41 3hj3 h ASP 201 Ca 0.18 -0.16 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 3hj3 h ASP 201 Cb 0.51 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 3hj3 h ASP 201 CO 0.02 0.55 0.08 -0.07 -1.57 0.00 0.00 179.24 178.25 3hj3 h LEU 202 N 0.48 0.80 -0.31 1.55 4.07 -0.66 0.94 115.31 122.18 3hj3 h LEU 202 Ca 0.13 -0.17 -0.20 0.00 0.08 0.00 0.00 57.88 57.73 3hj3 h LEU 202 Cb 0.18 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3hj3 h LEU 202 CO -0.01 0.82 -0.72 -0.07 -1.08 0.00 0.00 178.44 177.38 3hj3 h LEU 203 N 0.80 0.72 -1.47 1.67 4.07 -0.40 -2.24 115.31 118.45 3hj3 h LEU 203 Ca 0.17 -0.45 0.02 0.00 0.08 0.00 0.00 57.88 57.69 3hj3 h LEU 203 Cb 0.37 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 3hj3 h LEU 203 CO 0.01 1.22 0.37 1.23 -1.08 0.00 0.00 178.44 180.19 3hj3 h GLY 204 N 0.93 0.77 0.64 0.83 0.00 -0.02 -1.31 103.07 104.91 3hj3 h GLY 204 Ca -0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 3hj3 h GLY 204 CO 0.14 0.25 -0.42 0.83 0.00 0.00 0.00 176.54 177.34 3hj3 h GLU 205 N 0.71 0.31 0.23 4.80 5.08 -0.74 -2.63 114.58 122.34 3hj3 h GLU 205 Ca 0.22 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hj3 h GLU 205 Cb 0.01 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3hj3 h GLU 205 CO -0.05 1.00 -0.53 0.82 -1.00 0.00 0.00 179.01 179.25 3hj3 h ILE 206 N -0.26 0.00 0.00 3.13 2.04 -1.10 -3.33 117.51 117.99 3hj3 h ILE 206 Ca -0.05 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 3hj3 h ILE 206 Cb 1.14 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3hj3 h ILE 206 CO 0.08 0.00 -1.24 0.00 0.00 0.00 0.00 178.15 176.99 3hj3 h ALA 207 N -0.63 0.65 -0.41 1.87 0.00 -1.39 -3.49 119.26 115.86 3hj3 h ALA 207 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3hj3 h ALA 207 Cb 0.80 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3hj3 h ALA 207 CO -0.23 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.35 3hj3 n GLY 208 N 1.37 3.03 0.00 0.00 0.00 -0.99 -2.03 105.19 106.57 3hj3 n GLY 208 Ca -0.07 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.19 3hj3 n GLY 208 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hj3 n ILE 209 N 0.00 0.00 -0.04 -0.61 -0.00 -1.26 -1.98 119.36 115.47 3hj3 n ILE 209 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.57 3hj3 n ILE 209 Cb 0.00 -0.63 -0.13 0.00 -0.00 0.00 0.00 39.64 38.88 3hj3 n ILE 209 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 3hj3 h ARG 210 N 0.00 0.10 -6.69 0.38 3.08 -1.83 -3.45 114.38 105.98 3hj3 h ARG 210 Ca 0.00 -0.17 -0.53 0.00 0.07 0.00 0.00 59.98 59.35 3hj3 h ARG 210 Cb 0.00 0.06 0.05 0.00 0.08 0.00 0.00 29.97 30.17 3hj3 h ARG 210 CO 0.00 1.08 0.82 0.21 -1.07 0.00 0.00 179.97 181.01 3hj3 s LYS 211 N -2.33 4.23 0.09 0.04 2.20 -0.84 -4.93 119.74 118.20 3hj3 s LYS 211 Ca -0.20 2.35 -0.09 0.00 -0.36 0.00 0.00 55.97 57.67 3hj3 s LYS 211 Cb 0.01 -3.12 -0.20 0.00 -1.51 0.00 0.00 37.83 33.00 3hj3 s LYS 211 CO 0.71 -0.52 1.20 1.98 -0.36 0.00 0.00 175.35 178.36 3hj3 h MET 212 N 5.79 0.50 0.00 4.03 1.85 -1.86 -3.19 114.93 122.05 3hj3 h MET 212 Ca -0.45 -0.62 0.00 0.00 -0.61 0.00 0.00 59.70 58.03 3hj3 h MET 212 Cb 1.21 0.19 0.00 0.00 0.43 0.00 0.00 31.60 33.44 3hj3 h MET 212 CO 0.84 1.24 0.47 0.78 -0.40 0.00 0.00 176.91 179.84 3hj3 h GLY 213 N 0.87 0.00 1.53 1.39 0.00 -1.91 0.15 103.07 105.09 3hj3 h GLY 213 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 3hj3 h GLY 213 CO 0.20 0.00 -1.09 3.43 0.00 0.00 0.00 176.54 179.08 3hj3 h ASN 214 N 0.00 0.00 0.83 0.19 4.21 -1.84 -3.23 115.58 115.74 3hj3 h ASN 214 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hj3 h ASN 214 Cb 0.93 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 3hj3 h ASN 214 CO 0.00 0.72 0.00 0.54 -1.29 0.00 0.00 177.43 177.40 3hj3 n ARG 215 N -3.12 0.17 -3.17 0.81 1.74 0.51 -3.46 116.66 110.14 3hj3 n ARG 215 Ca -0.05 0.35 -0.25 0.00 -0.77 0.00 0.00 57.85 57.13 3hj3 n ARG 215 Cb 0.86 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 3hj3 n ARG 215 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hj3 n HIS 216 N -2.12 2.88 -1.87 -1.55 8.25 -1.16 -4.98 115.22 114.68 3hj3 n HIS 216 Ca 0.03 -3.98 -0.41 0.00 -0.26 0.00 0.00 57.72 53.10 3hj3 n HIS 216 Cb 0.26 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 30.87 3hj3 n HIS 216 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3hj3 s LYS 217 N -2.73 4.16 0.42 -0.41 1.02 -1.22 -4.93 119.74 116.05 3hj3 s LYS 217 Ca 0.43 2.50 -0.26 0.00 0.02 0.00 0.00 55.97 58.66 3hj3 s LYS 217 Cb 0.23 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 3hj3 s LYS 217 CO -0.08 -0.47 1.41 0.12 -0.92 0.00 0.00 175.35 175.40 3hj3 s PHE 218 N -0.98 2.57 0.81 3.18 5.36 -1.26 -4.82 117.98 122.84 3hj3 s PHE 218 Ca 0.53 1.28 -0.11 0.00 -0.96 0.00 0.00 56.93 57.67 3hj3 s PHE 218 Cb -0.45 -3.88 0.08 0.00 -0.34 0.00 0.00 43.02 38.43 3hj3 s PHE 218 CO 0.59 -2.74 1.09 -2.14 -1.46 0.00 0.00 175.22 170.56 3hj3 s PRO 219 N -2.32 1.97 0.08 10.12 0.02 -1.26 -5.01 135.00 138.59 3hj3 s PRO 219 Ca 0.58 0.78 -0.22 0.00 0.02 0.00 0.00 61.00 62.16 3hj3 s PRO 219 Cb -0.43 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.13 3hj3 s PRO 219 CO 0.56 -1.74 0.67 0.21 -0.33 0.00 0.00 177.00 176.37 3hj3 s LYS 220 N -5.05 4.39 0.43 5.54 2.47 -1.26 -4.95 119.74 121.30 3hj3 s LYS 220 Ca 0.61 0.92 0.36 0.00 -1.56 0.00 0.00 55.97 56.30 3hj3 s LYS 220 Cb -0.16 -3.28 1.38 0.00 -1.46 0.00 0.00 37.83 34.31 3hj3 s LYS 220 CO 0.55 0.51 1.33 -1.91 0.16 0.00 0.00 175.35 176.00 3hj3 n GLU 221 N 2.03 -0.01 0.00 4.03 2.13 -1.26 -0.69 120.64 126.86 3hj3 n GLU 221 Ca -0.07 1.00 0.15 0.00 0.66 0.00 0.00 57.16 58.90 3hj3 n GLU 221 Cb 0.50 -2.13 0.87 0.00 0.27 0.00 0.00 31.44 30.95 3hj3 n GLU 221 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 3hj3 n GLU 222 N -4.01 0.82 -0.04 5.31 0.00 -1.26 -3.10 120.64 118.35 3hj3 n GLU 222 Ca 0.36 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.53 3hj3 n GLU 222 Cb 1.54 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 31.49 3hj3 n GLU 222 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3hj3 n ILE 223 N -1.07 0.56 -4.02 3.84 -5.35 0.13 -5.03 119.36 108.42 3hj3 n ILE 223 Ca 0.21 -0.58 -0.31 0.00 -0.27 0.00 0.00 62.75 61.79 3hj3 n ILE 223 Cb 0.14 0.67 -0.15 0.00 -1.74 0.00 0.00 39.64 38.55 3hj3 n ILE 223 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3hj3 s TYR 224 N -0.62 3.47 0.58 4.28 6.14 -1.16 -4.62 117.35 125.42 3hj3 s TYR 224 Ca 0.02 -2.70 -0.19 0.00 0.64 0.00 0.00 57.07 54.84 3hj3 s TYR 224 Cb 0.02 -2.53 -0.05 0.00 0.42 0.00 0.00 41.96 39.82 3hj3 s TYR 224 CO 0.00 -0.92 0.97 -1.71 0.64 0.00 0.00 175.55 174.53 3hj3 n ASN 225 N 4.35 0.82 -3.94 4.32 2.85 -1.26 -2.52 115.26 119.88 3hj3 n ASN 225 Ca -0.02 0.83 -0.31 0.00 -0.11 0.00 0.00 54.58 54.97 3hj3 n ASN 225 Cb 0.42 -1.39 -0.01 0.00 1.24 0.00 0.00 39.78 40.04 3hj3 n ASN 225 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3hj3 n THR 226 N -1.60 -1.50 -0.17 -0.44 -1.04 -1.26 -4.69 114.28 103.58 3hj3 n THR 226 Ca 0.13 -0.40 0.29 0.00 -2.04 0.00 0.00 64.05 62.03 3hj3 n THR 226 Cb 0.46 -1.31 0.72 0.00 -1.82 0.00 0.00 70.33 68.39 3hj3 n THR 226 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hj3 h PRO 227 N -1.05 0.00 -0.01 -2.82 0.11 -1.78 -0.84 132.00 125.60 3hj3 h PRO 227 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hj3 h PRO 227 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hj3 h PRO 227 CO 0.42 0.00 0.02 0.66 -0.21 0.00 0.00 178.00 178.89 3hj3 h SER 228 N 0.00 0.00 -2.23 -2.05 4.64 -1.84 -3.37 113.55 108.71 3hj3 h SER 228 Ca 0.42 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 61.10 3hj3 h SER 228 Cb 1.82 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.76 3hj3 h SER 228 CO -0.00 0.00 0.89 -0.63 -0.87 0.00 0.00 176.83 176.21 3hj3 s ILE 229 N -4.46 4.39 -0.21 0.95 1.01 -0.32 -4.44 121.20 118.12 3hj3 s ILE 229 Ca -0.05 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 3hj3 s ILE 229 Cb 0.14 -4.81 -0.08 0.00 0.01 0.00 0.00 42.46 37.72 3hj3 s ILE 229 CO 0.50 -1.60 -0.35 -1.14 0.00 0.00 0.00 174.94 172.35 3hj3 n ARG 230 N 7.50 0.55 -0.73 2.79 0.63 -1.26 -4.59 116.66 121.56 3hj3 n ARG 230 Ca 0.16 0.22 0.06 0.00 -0.92 0.00 0.00 57.85 57.38 3hj3 n ARG 230 Cb 0.48 -1.44 0.33 0.00 0.45 0.00 0.00 32.46 32.28 3hj3 n ARG 230 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hj3 n PHE 231 N -4.39 1.70 -2.67 -0.14 0.99 -1.26 -4.55 117.46 107.14 3hj3 n PHE 231 Ca -0.27 -0.59 -0.05 0.00 -0.00 0.00 0.00 57.45 56.55 3hj3 n PHE 231 Cb 0.63 -0.43 0.09 0.00 -1.00 0.00 0.00 39.48 38.77 3hj3 n PHE 231 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hj3 n GLY 232 N 0.54 1.02 3.49 1.37 0.00 -1.26 -5.03 105.19 105.31 3hj3 n GLY 232 Ca 0.23 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3hj3 n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hj3 s ARG 233 N 0.14 3.64 -0.14 1.61 0.52 -1.26 -3.16 118.95 120.30 3hj3 s ARG 233 Ca 0.14 -1.64 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 3hj3 s ARG 233 Cb 0.33 -5.07 -0.23 0.00 0.52 0.00 0.00 34.95 30.49 3hj3 s ARG 233 CO -0.08 -1.91 0.26 0.39 0.02 0.00 0.00 175.30 173.98 3hj3 n GLU 234 N 7.21 0.70 -1.55 3.54 1.02 -1.06 -4.90 120.64 125.61 3hj3 n GLU 234 Ca 0.28 0.22 -0.50 0.00 -0.02 0.00 0.00 57.16 57.14 3hj3 n GLU 234 Cb 0.49 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 3hj3 n GLU 234 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hj3 n HIS 235 N -3.28 1.86 0.33 -0.32 -0.00 -0.78 -4.17 115.22 108.86 3hj3 n HIS 235 Ca -0.32 0.17 0.13 0.00 0.46 0.00 0.00 57.72 58.15 3hj3 n HIS 235 Cb 1.05 -2.59 0.67 0.00 -0.12 0.00 0.00 29.99 29.00 3hj3 n HIS 235 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 3hj3 h TYR 236 N 11.65 0.00 0.00 1.57 -1.99 -1.91 0.50 116.97 126.80 3hj3 h TYR 236 Ca -0.36 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.36 3hj3 h TYR 236 Cb 1.30 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.03 3hj3 h TYR 236 CO 0.92 0.00 -0.05 1.49 -0.00 0.00 0.00 178.16 180.52 3hj3 h GLU 237 N 0.00 0.00 0.00 4.88 4.81 -1.92 0.18 114.58 122.53 3hj3 h GLU 237 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hj3 h GLU 237 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3hj3 h GLU 237 CO 0.00 0.05 0.00 1.19 -0.73 0.00 0.00 179.01 179.52 3hj3 n PHE 238 N -3.65 0.29 0.10 0.92 3.72 0.18 -1.53 117.46 117.48 3hj3 n PHE 238 Ca -0.02 0.13 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 3hj3 n PHE 238 Cb 0.15 -0.71 -0.01 0.00 -0.94 0.00 0.00 39.48 37.97 3hj3 n PHE 238 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3hj3 h GLN 239 N 0.00 0.00 0.00 -1.08 1.08 -0.80 -2.30 115.11 112.01 3hj3 h GLN 239 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3hj3 h GLN 239 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3hj3 h GLN 239 CO 0.00 0.39 -0.61 -0.92 -0.95 0.00 0.00 178.83 176.73 3hj3 h TYR 240 N 0.00 0.00 0.03 2.96 5.03 -1.37 -3.31 116.97 120.32 3hj3 h TYR 240 Ca -0.06 0.00 -0.37 0.00 2.58 0.00 0.00 58.73 60.87 3hj3 h TYR 240 Cb 1.43 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.65 3hj3 h TYR 240 CO 0.00 0.17 -2.30 1.28 -1.32 0.00 0.00 178.16 175.99 3hj3 n LEU 241 N -2.96 2.28 0.24 2.82 4.77 -1.06 -3.15 117.00 119.95 3hj3 n LEU 241 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 3hj3 n LEU 241 Cb 0.62 -0.66 0.58 0.00 -2.33 0.00 0.00 43.42 41.62 3hj3 n LEU 241 CO 0.38 0.81 0.88 0.44 -1.33 0.00 0.00 177.39 178.57 3hj3 h ASP 242 N 0.02 0.00 0.07 -1.43 5.19 -1.60 0.53 116.42 119.20 3hj3 h ASP 242 Ca -0.52 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.71 3hj3 h ASP 242 Cb 2.00 0.00 0.02 0.00 0.18 0.00 0.00 39.33 41.52 3hj3 h ASP 242 CO -0.02 0.18 -0.76 0.25 -3.12 0.00 0.00 179.24 175.77 3hj3 h LEU 243 N 0.00 0.55 -1.04 1.55 5.85 -1.71 -2.28 115.31 118.22 3hj3 h LEU 243 Ca -0.00 -0.84 -0.04 0.00 0.84 0.00 0.00 57.88 57.84 3hj3 h LEU 243 Cb 0.57 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3hj3 h LEU 243 CO 0.02 1.33 0.25 0.25 -0.34 0.00 0.00 178.44 179.96 3hj3 h LEU 244 N -0.16 0.86 -0.14 2.25 5.85 -1.23 -1.35 115.31 121.38 3hj3 h LEU 244 Ca -0.11 -0.12 -0.23 0.00 0.84 0.00 0.00 57.88 58.26 3hj3 h LEU 244 Cb 1.51 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 42.33 3hj3 h LEU 244 CO 0.15 0.77 -0.79 0.77 -0.34 0.00 0.00 178.44 178.99 3hj3 h SER 245 N 0.92 0.94 0.02 1.25 4.64 -0.07 -2.99 113.55 118.26 3hj3 h SER 245 Ca 0.22 -0.64 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hj3 h SER 245 Cb 0.19 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3hj3 h SER 245 CO -0.02 1.43 -0.01 -0.09 -0.87 0.00 0.00 176.83 177.27 3hj3 h ARG 246 N 0.52 0.00 0.00 4.77 2.43 -0.74 0.32 114.38 121.68 3hj3 h ARG 246 Ca -0.06 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 3hj3 h ARG 246 Cb 1.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 3hj3 h ARG 246 CO 0.16 0.01 -0.91 -0.39 -1.51 0.00 0.00 179.97 177.33 3hj3 h VAL 247 N 0.00 0.97 -0.30 0.20 -1.51 -1.13 -0.53 116.25 113.95 3hj3 h VAL 247 Ca -0.00 -2.48 -0.17 0.00 -1.23 0.00 0.00 66.70 62.83 3hj3 h VAL 247 Cb 0.02 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3hj3 h VAL 247 CO 0.00 0.55 -0.48 -0.07 -1.23 0.00 0.00 177.57 176.35 3hj3 h LEU 248 N 0.00 0.88 -0.19 4.19 4.07 -0.94 0.11 115.31 123.43 3hj3 h LEU 248 Ca -0.06 -0.44 -0.09 0.00 0.08 0.00 0.00 57.88 57.37 3hj3 h LEU 248 Cb 1.56 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 43.05 3hj3 h LEU 248 CO 0.08 1.21 -0.24 -0.08 -1.08 0.00 0.00 178.44 178.32 3hj3 h GLU 249 N 0.64 0.51 -0.24 1.13 4.57 -1.08 -3.39 114.58 116.72 3hj3 h GLU 249 Ca 0.03 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3hj3 h GLU 249 Cb 1.06 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3hj3 h GLU 249 CO 0.10 0.88 0.00 0.09 -1.18 0.00 0.00 179.01 178.90 3hj3 n ASN 250 N -4.40 2.59 -4.41 1.04 4.13 -0.21 -5.01 115.26 108.98 3hj3 n ASN 250 Ca -0.05 -1.90 -0.44 0.00 1.68 0.00 0.00 54.58 53.87 3hj3 n ASN 250 Cb 0.43 -0.16 -0.04 0.00 -1.54 0.00 0.00 39.78 38.47 3hj3 n ASN 250 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3hj3 s GLY 251 N -0.96 1.66 0.26 7.41 0.00 0.38 -4.88 107.32 111.18 3hj3 s GLY 251 Ca 0.18 -2.05 -0.29 0.00 0.00 0.00 0.00 44.72 42.56 3hj3 s GLY 251 CO 0.13 1.71 1.01 0.00 0.00 0.00 0.00 173.10 175.95 3hj3 n ALA 252 N 6.71 -0.53 -1.63 3.20 0.00 -1.12 -4.04 120.51 123.10 3hj3 n ALA 252 Ca -0.07 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3hj3 n ALA 252 Cb 0.44 -1.99 0.03 0.00 0.00 0.00 0.00 19.45 17.92 3hj3 n ALA 252 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3hj3 s TYR 253 N -0.85 3.14 0.00 0.00 6.14 -1.26 -1.67 117.35 122.85 3hj3 s TYR 253 Ca 0.62 1.44 0.00 0.00 0.64 0.00 0.00 57.07 59.77 3hj3 s TYR 253 Cb -0.75 -2.90 0.00 0.00 0.42 0.00 0.00 41.96 38.73 3hj3 s TYR 253 CO 0.58 -1.11 0.00 2.89 0.64 0.00 0.00 175.55 178.55 3hj3 n ARG 254 N -2.71 0.00 -2.55 4.97 1.85 -0.89 -4.92 116.66 112.40 3hj3 n ARG 254 Ca 0.08 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.71 3hj3 n ARG 254 Cb 0.53 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.99 3hj3 n ARG 254 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 3hj3 s GLU 255 N -1.85 2.48 0.00 2.89 1.03 -1.26 -0.74 118.70 121.24 3hj3 s GLU 255 Ca 0.00 -0.68 0.00 0.00 0.03 0.00 0.00 54.97 54.32 3hj3 s GLU 255 Cb 0.00 -2.43 0.00 0.00 -0.80 0.00 0.00 34.13 30.90 3hj3 s GLU 255 CO 0.00 -0.81 0.00 0.27 -1.33 0.00 0.00 175.26 173.39 3hj3 n ASN 256 N -2.46 0.00 -0.11 0.83 6.94 -1.26 -4.92 115.26 114.28 3hj3 n ASN 256 Ca 0.08 -0.82 0.23 0.00 -0.02 0.00 0.00 54.58 54.05 3hj3 n ASN 256 Cb 0.60 0.00 0.67 0.00 -2.36 0.00 0.00 39.78 38.69 3hj3 n ASN 256 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 3hj3 h ARG 257 N 0.00 0.08 -6.90 -3.83 0.11 -2.00 -3.40 114.38 98.43 3hj3 h ARG 257 Ca 0.00 -0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.61 3hj3 h ARG 257 Cb 0.00 -0.02 0.04 0.00 1.11 0.00 0.00 29.97 31.11 3hj3 h ARG 257 CO 0.00 0.05 0.03 0.95 0.10 0.00 0.00 179.97 181.10 3hj3 s THR 258 N -5.08 3.69 -2.00 0.08 -4.23 -1.26 -4.98 115.64 101.86 3hj3 s THR 258 Ca -0.06 -0.29 0.10 0.00 -1.18 0.00 0.00 61.69 60.26 3hj3 s THR 258 Cb 0.21 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.91 3hj3 s THR 258 CO 0.76 -0.35 1.15 0.61 -0.54 0.00 0.00 174.62 176.24 3hj3 n GLY 259 N -2.34 -0.72 3.52 3.99 0.00 -1.26 -4.70 105.19 103.67 3hj3 n GLY 259 Ca 0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3hj3 n GLY 259 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hj3 s ILE 260 N -2.00 3.70 0.84 -0.61 1.09 -1.26 -5.04 121.20 117.92 3hj3 s ILE 260 Ca 0.14 -0.45 -0.07 0.00 -1.10 0.00 0.00 60.65 59.17 3hj3 s ILE 260 Cb 0.07 -2.56 0.17 0.00 -1.06 0.00 0.00 42.46 39.07 3hj3 s ILE 260 CO 0.11 0.54 1.15 -0.44 -0.10 0.00 0.00 174.94 176.20 3hj3 s SER 261 N -0.15 3.69 0.05 3.58 0.01 -1.26 -4.27 113.70 115.36 3hj3 s SER 261 Ca 0.02 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 3hj3 s SER 261 Cb -0.13 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 3hj3 s SER 261 CO 0.03 -2.32 0.11 0.42 0.41 0.00 0.00 173.24 171.88 3hj3 s THR 262 N -3.48 0.15 -0.51 1.44 -4.23 0.08 -2.15 115.64 106.94 3hj3 s THR 262 Ca 0.71 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.89 3hj3 s THR 262 Cb -0.04 -1.12 0.13 0.00 1.34 0.00 0.00 72.50 72.82 3hj3 s THR 262 CO 0.48 -0.68 0.41 -0.31 -0.54 0.00 0.00 174.62 173.99 3hj3 s TYR 263 N -3.15 3.39 -0.07 3.99 2.02 -0.24 -2.11 117.35 121.19 3hj3 s TYR 263 Ca -0.00 -1.75 -0.03 0.00 -0.37 0.00 0.00 57.07 54.92 3hj3 s TYR 263 Cb 0.02 -3.59 -0.04 0.00 -0.40 0.00 0.00 41.96 37.95 3hj3 s TYR 263 CO -0.07 -1.00 0.08 0.45 -1.57 0.00 0.00 175.55 173.44 3hj3 s SER 264 N 2.85 5.78 0.26 2.29 0.15 -0.67 -2.76 113.70 121.60 3hj3 s SER 264 Ca 0.06 0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.97 3hj3 s SER 264 Cb -0.26 -1.73 -0.05 0.00 -1.71 0.00 0.00 66.02 62.27 3hj3 s SER 264 CO -0.00 0.35 0.09 0.27 1.20 0.00 0.00 173.24 175.15 3hj3 s ILE 265 N -1.05 0.61 -0.08 6.45 -4.36 -0.20 -2.78 121.20 119.78 3hj3 s ILE 265 Ca 0.18 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.56 3hj3 s ILE 265 Cb -0.12 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.99 3hj3 s ILE 265 CO 0.07 -0.03 -0.05 0.12 0.24 0.00 0.00 174.94 175.30 3hj3 s PHE 266 N -3.72 1.11 0.00 1.37 5.36 -1.26 -2.12 117.98 118.72 3hj3 s PHE 266 Ca 0.37 -0.46 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 3hj3 s PHE 266 Cb 0.08 -0.99 0.00 0.00 -0.34 0.00 0.00 43.02 41.76 3hj3 s PHE 266 CO 0.13 -0.38 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 3hj3 n GLY 267 N 4.76 -0.34 3.11 13.12 0.00 0.08 -4.98 105.19 120.94 3hj3 n GLY 267 Ca -0.14 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 3hj3 n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hj3 s GLN 268 N -1.09 0.66 -0.04 1.61 -1.52 -0.54 -4.95 119.66 113.78 3hj3 s GLN 268 Ca 0.00 -0.92 0.00 0.00 -1.95 0.00 0.00 55.36 52.49 3hj3 s GLN 268 Cb 0.00 -0.39 0.03 0.00 -0.22 0.00 0.00 33.01 32.43 3hj3 s GLN 268 CO 0.00 0.06 -0.01 0.00 -0.25 0.00 0.00 175.29 175.10 3hj3 s MET 269 N -2.09 0.45 -0.04 2.91 0.23 -1.26 0.11 119.30 119.62 3hj3 s MET 269 Ca -0.04 0.06 -0.05 0.00 -1.03 0.00 0.00 55.69 54.64 3hj3 s MET 269 Cb -0.07 -0.66 -0.04 0.00 -1.53 0.00 0.00 34.83 32.53 3hj3 s MET 269 CO -0.00 -0.17 0.19 -1.64 -2.03 0.00 0.00 175.02 171.37 3hj3 s MET 270 N 1.26 3.46 0.37 3.16 1.00 -0.50 -4.97 119.30 123.08 3hj3 s MET 270 Ca -0.06 -0.23 0.07 0.00 0.00 0.00 0.00 55.69 55.47 3hj3 s MET 270 Cb -0.13 -3.12 -0.01 0.00 0.00 0.00 0.00 34.83 31.57 3hj3 s MET 270 CO -0.02 0.70 0.48 1.03 0.00 0.00 0.00 175.02 177.21 3hj3 s ARG 271 N -1.66 2.95 -0.27 2.03 1.81 -1.26 -0.59 118.95 121.96 3hj3 s ARG 271 Ca 0.24 -1.14 -0.19 0.00 -1.72 0.00 0.00 55.73 52.91 3hj3 s ARG 271 Cb -0.13 -2.74 0.08 0.00 -0.45 0.00 0.00 34.95 31.71 3hj3 s ARG 271 CO 0.14 -0.06 0.69 -0.06 -0.68 0.00 0.00 175.30 175.34 3hj3 s PHE 272 N -2.26 -0.94 0.36 -0.53 0.08 -0.50 -4.82 117.98 109.37 3hj3 s PHE 272 Ca 0.48 2.03 -0.24 0.00 0.12 0.00 0.00 56.93 59.31 3hj3 s PHE 272 Cb -0.09 0.48 -0.10 0.00 -0.57 0.00 0.00 43.02 42.74 3hj3 s PHE 272 CO 0.31 -0.46 0.95 0.34 -0.10 0.00 0.00 175.22 176.26 3hj3 s ASP 273 N 1.12 7.18 0.00 1.36 -1.08 -1.26 -0.51 116.67 123.48 3hj3 s ASP 273 Ca -0.06 1.80 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 3hj3 s ASP 273 Cb -0.05 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 3hj3 s ASP 273 CO -0.11 -0.19 0.10 0.23 0.52 0.00 0.00 175.17 175.72 3hj3 n MET 274 N 0.14 4.25 0.19 4.34 2.81 0.98 -4.60 117.12 125.24 3hj3 n MET 274 Ca 0.04 -0.10 0.05 0.00 -1.81 0.00 0.00 57.70 55.88 3hj3 n MET 274 Cb 0.51 -0.54 0.39 0.00 -0.71 0.00 0.00 33.22 32.88 3hj3 n MET 274 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hj3 h ARG 275 N 0.00 0.00 0.00 0.03 3.08 -1.69 -3.36 114.38 112.44 3hj3 h ARG 275 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hj3 h ARG 275 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hj3 h ARG 275 CO 0.00 0.36 0.00 0.39 -1.07 0.00 0.00 179.97 179.65 3hj3 n GLU 276 N -3.80 6.09 0.00 0.04 -0.58 -1.26 -4.96 120.64 116.16 3hj3 n GLU 276 Ca -0.01 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3hj3 n GLU 276 Cb 0.43 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 3hj3 n GLU 276 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3hj3 n SER 277 N -0.88 0.00 -4.62 1.62 3.41 -1.26 -3.39 113.62 108.50 3hj3 n SER 277 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3hj3 n SER 277 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3hj3 n SER 277 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hj3 s PHE 278 N -2.00 2.97 -0.39 7.33 5.36 -0.85 -4.30 117.98 126.10 3hj3 s PHE 278 Ca 0.00 0.03 -0.03 0.00 -0.96 0.00 0.00 56.93 55.97 3hj3 s PHE 278 Cb 0.00 -1.67 0.10 0.00 -0.34 0.00 0.00 43.02 41.11 3hj3 s PHE 278 CO 0.00 0.39 2.56 -0.35 -1.46 0.00 0.00 175.22 176.36 3hj3 n PRO 279 N 1.79 2.20 -2.74 10.12 -0.04 -1.26 -3.94 135.00 141.12 3hj3 n PRO 279 Ca -0.16 -2.05 -0.41 0.00 -0.04 0.00 0.00 63.50 60.83 3hj3 n PRO 279 Cb 0.53 -1.97 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 3hj3 n PRO 279 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hj3 s LEU 280 N -2.00 4.47 0.44 1.53 2.96 -1.26 -4.69 118.68 120.13 3hj3 s LEU 280 Ca 0.50 1.75 -0.24 0.00 -0.22 0.00 0.00 54.13 55.92 3hj3 s LEU 280 Cb 0.34 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.39 3hj3 s LEU 280 CO -0.14 -0.09 1.20 -0.76 -1.32 0.00 0.00 176.35 175.23 3hj3 s LEU 281 N 0.17 4.09 -0.18 -0.68 1.43 -1.26 -4.55 118.68 117.70 3hj3 s LEU 281 Ca 0.47 2.40 0.03 0.00 -1.03 0.00 0.00 54.13 56.00 3hj3 s LEU 281 Cb -0.23 -4.12 -0.22 0.00 0.03 0.00 0.00 46.19 41.66 3hj3 s LEU 281 CO 0.29 -0.87 0.09 0.35 0.23 0.00 0.00 176.35 176.45 3hj3 n THR 282 N -0.24 1.58 0.00 5.49 -2.24 -1.26 -4.33 114.28 113.28 3hj3 n THR 282 Ca 0.06 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3hj3 n THR 282 Cb 0.47 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 3hj3 n THR 282 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hj3 n THR 283 N -3.23 1.04 -3.79 4.28 -2.24 -1.26 -0.94 114.28 108.14 3hj3 n THR 283 Ca -0.37 0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3hj3 n THR 283 Cb 1.04 -1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 3hj3 n THR 283 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hj3 s LYS 284 N -2.48 0.55 -1.05 -0.78 2.20 -1.26 -4.67 119.74 112.25 3hj3 s LYS 284 Ca 0.00 -0.12 -0.19 0.00 -0.36 0.00 0.00 55.97 55.30 3hj3 s LYS 284 Cb 0.00 0.24 0.11 0.00 -1.51 0.00 0.00 37.83 36.67 3hj3 s LYS 284 CO 0.00 -0.14 1.34 0.21 -0.36 0.00 0.00 175.35 176.41 3hj3 s LYS 285 N -1.04 3.74 0.15 4.03 2.20 -1.22 -4.67 119.74 122.93 3hj3 s LYS 285 Ca -0.11 -1.78 -0.30 0.00 -0.36 0.00 0.00 55.97 53.42 3hj3 s LYS 285 Cb -0.05 -5.13 -0.07 0.00 -1.51 0.00 0.00 37.83 31.06 3hj3 s LYS 285 CO 0.03 -1.94 1.14 0.08 -0.36 0.00 0.00 175.35 174.30 3hj3 s VAL 286 N 3.25 3.85 -0.88 4.02 1.01 -1.26 -4.54 120.40 125.85 3hj3 s VAL 286 Ca 0.41 1.52 -0.22 0.00 0.00 0.00 0.00 61.98 63.69 3hj3 s VAL 286 Cb -0.02 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 3hj3 s VAL 286 CO -0.06 0.22 1.93 0.00 0.00 0.00 0.00 175.10 177.20 3hj3 n ALA 287 N 2.76 3.14 -0.33 5.51 0.00 -1.26 -4.75 120.51 125.58 3hj3 n ALA 287 Ca 0.04 -3.30 0.26 0.00 0.00 0.00 0.00 53.44 50.45 3hj3 n ALA 287 Cb 0.46 -3.61 0.56 0.00 0.00 0.00 0.00 19.45 16.86 3hj3 n ALA 287 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hj3 h ILE 288 N 4.77 0.48 -0.26 0.00 6.09 -2.00 -2.22 117.51 124.37 3hj3 h ILE 288 Ca 0.39 -0.10 -0.17 0.00 -1.37 0.00 0.00 64.86 63.61 3hj3 h ILE 288 Cb 0.72 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.16 3hj3 h ILE 288 CO 1.82 0.06 -0.52 -0.09 -3.07 0.00 0.00 178.15 176.34 3hj3 h ARG 289 N 0.30 0.76 0.00 2.19 2.43 -2.00 -2.07 114.38 115.99 3hj3 h ARG 289 Ca 0.60 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3hj3 h ARG 289 Cb 1.70 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 3hj3 h ARG 289 CO -0.25 1.09 0.00 0.77 -1.51 0.00 0.00 179.97 180.07 3hj3 h SER 290 N 0.59 0.00 0.02 -3.80 0.02 -1.81 -2.69 113.55 105.87 3hj3 h SER 290 Ca 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3hj3 h SER 290 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3hj3 h SER 290 CO 0.11 0.00 -0.17 0.40 -1.14 0.00 0.00 176.83 176.03 3hj3 h ILE 291 N 0.00 1.67 -0.08 3.27 2.04 -1.32 -2.92 117.51 120.17 3hj3 h ILE 291 Ca 0.00 -2.19 -0.09 0.00 1.00 0.00 0.00 64.86 63.58 3hj3 h ILE 291 Cb 0.71 3.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 3hj3 h ILE 291 CO 0.00 0.58 -0.38 0.15 0.00 0.00 0.00 178.15 178.50 3hj3 h PHE 292 N -0.75 0.19 0.00 1.37 3.57 -1.42 0.42 116.94 120.31 3hj3 h PHE 292 Ca -0.03 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 3hj3 h PHE 292 Cb 1.05 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3hj3 h PHE 292 CO 0.23 0.52 -0.48 1.49 -2.23 0.00 0.00 178.31 177.85 3hj3 h GLU 293 N 0.14 0.00 0.12 1.11 4.57 -1.57 -2.74 114.58 116.21 3hj3 h GLU 293 Ca 0.01 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.91 3hj3 h GLU 293 Cb 0.74 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3hj3 h GLU 293 CO 0.06 0.48 -1.22 1.49 -1.18 0.00 0.00 179.01 178.63 3hj3 h GLU 294 N 0.00 0.42 0.00 1.92 4.81 -1.20 -3.14 114.58 117.38 3hj3 h GLU 294 Ca -0.00 -0.61 -0.02 0.00 -0.13 0.00 0.00 59.36 58.59 3hj3 h GLU 294 Cb 0.98 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 3hj3 h GLU 294 CO 0.06 1.27 -0.12 1.25 -0.73 0.00 0.00 179.01 180.74 3hj3 h LEU 295 N 0.16 0.00 0.00 1.64 6.46 -0.62 -2.16 115.31 120.79 3hj3 h LEU 295 Ca -0.15 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3hj3 h LEU 295 Cb 1.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.84 3hj3 h LEU 295 CO 0.22 0.12 -1.16 0.00 -0.62 0.00 0.00 178.44 176.99 3hj3 n ILE 296 N -3.35 0.00 -0.33 4.05 0.13 -1.16 -2.53 119.36 116.18 3hj3 n ILE 296 Ca -0.00 -0.12 0.16 0.00 -1.10 0.00 0.00 62.75 61.69 3hj3 n ILE 296 Cb 0.32 0.42 0.32 0.00 -0.84 0.00 0.00 39.64 39.86 3hj3 n ILE 296 CO 0.00 0.00 0.00 1.87 2.80 0.00 0.00 176.55 181.22 3hj3 n TRP 297 N -1.63 0.68 0.00 9.51 -0.00 -1.19 -1.38 117.44 123.43 3hj3 n TRP 297 Ca -0.01 1.15 -0.17 0.00 -0.00 0.00 0.00 57.50 58.47 3hj3 n TRP 297 Cb 0.12 -1.26 -0.11 0.00 -0.00 0.00 0.00 31.31 30.05 3hj3 n TRP 297 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 3hj3 h PHE 298 N 0.00 0.60 -0.82 5.87 0.04 -1.36 0.15 116.94 121.42 3hj3 h PHE 298 Ca 0.61 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 3hj3 h PHE 298 Cb 1.33 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 39.37 3hj3 h PHE 298 CO -0.42 1.15 0.47 0.82 -0.60 0.00 0.00 178.31 179.73 3hj3 h ILE 299 N -0.11 1.23 0.00 -0.55 2.04 -1.50 0.12 117.51 118.74 3hj3 h ILE 299 Ca -0.08 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3hj3 h ILE 299 Cb 1.31 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3hj3 h ILE 299 CO 0.12 0.25 -0.11 0.11 0.00 0.00 0.00 178.15 178.51 3hj3 h LYS 300 N 1.13 0.00 -0.04 2.37 1.57 -1.22 -3.46 116.57 116.91 3hj3 h LYS 300 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hj3 h LYS 300 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3hj3 h LYS 300 CO -0.05 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 3hj3 n GLY 301 N -0.57 0.62 3.76 3.86 0.00 0.42 -5.01 105.19 108.27 3hj3 n GLY 301 Ca -0.01 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 3hj3 n GLY 301 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hj3 s ASP 302 N -2.86 7.25 0.00 1.61 -1.08 0.50 -4.25 116.67 117.84 3hj3 s ASP 302 Ca 0.00 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 3hj3 s ASP 302 Cb 0.00 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 3hj3 s ASP 302 CO 0.00 0.10 0.54 0.35 0.52 0.00 0.00 175.17 176.68 3hj3 n THR 303 N 2.33 0.08 -2.61 1.71 -2.24 -1.26 -4.65 114.28 107.64 3hj3 n THR 303 Ca -0.04 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.78 3hj3 n THR 303 Cb 0.50 0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 3hj3 n THR 303 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hj3 s ASN 304 N -0.08 6.48 0.52 3.42 3.04 -1.26 -1.94 114.94 125.10 3hj3 s ASN 304 Ca 0.00 0.14 0.30 0.00 0.04 0.00 0.00 52.86 53.35 3hj3 s ASN 304 Cb 0.00 -2.54 1.26 0.00 -1.54 0.00 0.00 41.25 38.42 3hj3 s ASN 304 CO 0.00 -1.41 1.95 1.23 -3.04 0.00 0.00 177.10 175.83 3hj3 h GLY 305 N 11.71 0.00 1.65 1.21 0.00 -1.24 -2.53 103.07 113.87 3hj3 h GLY 305 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3hj3 h GLY 305 CO 1.17 0.00 0.03 3.43 0.00 0.00 0.00 176.54 181.16 3hj3 h ASN 306 N 0.00 0.42 -0.28 0.19 -0.26 -1.91 -2.68 115.58 111.05 3hj3 h ASN 306 Ca -0.00 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 3hj3 h ASN 306 Cb 0.56 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 3hj3 h ASN 306 CO 0.01 0.46 0.07 0.45 -1.06 0.00 0.00 177.43 177.36 3hj3 h HIS 307 N 0.44 0.54 0.20 1.19 3.86 -1.82 -1.30 115.15 118.27 3hj3 h HIS 307 Ca 0.10 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3hj3 h HIS 307 Cb 0.25 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3hj3 h HIS 307 CO 0.01 0.49 -0.10 -0.07 0.86 0.00 0.00 177.93 179.12 3hj3 h LEU 308 N 0.53 -0.23 -0.75 2.43 -0.00 -1.60 -3.30 115.31 112.39 3hj3 h LEU 308 Ca 0.12 -0.25 0.15 0.00 -0.00 0.00 0.00 57.88 57.89 3hj3 h LEU 308 Cb 0.23 0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 40.85 3hj3 h LEU 308 CO -0.00 0.16 0.28 0.40 -0.00 0.00 0.00 178.44 179.27 3hj3 h ILE 309 N -0.65 0.63 -0.04 1.22 2.04 -1.08 -2.42 117.51 117.22 3hj3 h ILE 309 Ca -0.03 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hj3 h ILE 309 Cb 0.46 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3hj3 h ILE 309 CO 0.04 0.07 -0.05 -0.33 0.00 0.00 0.00 178.15 177.89 3hj3 h GLU 310 N 0.41 -0.06 0.00 2.37 5.08 -1.38 0.93 114.58 121.93 3hj3 h GLU 310 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3hj3 h GLU 310 Cb 0.64 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3hj3 h GLU 310 CO -0.42 -0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.18 3hj3 n LYS 311 N -5.16 0.11 -3.80 2.33 5.02 -1.01 -4.83 118.16 110.82 3hj3 n LYS 311 Ca -0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.99 3hj3 n LYS 311 Cb 0.09 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 3hj3 n LYS 311 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hj3 n LYS 312 N -0.74 -4.86 -5.22 1.97 5.02 0.32 -5.00 118.16 109.65 3hj3 n LYS 312 Ca 0.01 0.58 -0.32 0.00 -2.02 0.00 0.00 58.31 56.57 3hj3 n LYS 312 Cb 0.01 -5.18 -0.17 0.00 -0.02 0.00 0.00 35.03 29.66 3hj3 n LYS 312 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hj3 s VAL 313 N -3.60 2.06 -1.53 -0.18 1.01 -0.98 -5.01 120.40 112.17 3hj3 s VAL 313 Ca 0.20 -1.02 0.12 0.00 0.00 0.00 0.00 61.98 61.29 3hj3 s VAL 313 Cb -0.10 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.60 3hj3 s VAL 313 CO 0.83 0.56 0.90 -1.22 0.00 0.00 0.00 175.10 176.17 3hj3 n TYR 314 N 3.51 0.01 -0.33 5.22 4.01 -1.26 -3.29 117.16 125.02 3hj3 n TYR 314 Ca -0.19 -0.01 0.26 0.00 -0.16 0.00 0.00 57.90 57.80 3hj3 n TYR 314 Cb 0.53 -0.00 0.51 0.00 -0.31 0.00 0.00 39.34 40.07 3hj3 n TYR 314 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 3hj3 h ILE 315 N 2.41 0.22 -0.35 -0.72 3.07 -1.96 0.57 117.51 120.74 3hj3 h ILE 315 Ca 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.33 3hj3 h ILE 315 Cb 0.52 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.03 3hj3 h ILE 315 CO 0.00 0.04 0.00 0.79 -1.05 0.00 0.00 178.15 177.93 3hj3 n TRP 316 N -5.11 0.45 0.20 0.16 7.02 -1.26 -4.27 117.44 114.63 3hj3 n TRP 316 Ca 0.33 -0.23 0.06 0.00 -1.02 0.00 0.00 57.50 56.65 3hj3 n TRP 316 Cb 1.07 0.00 0.40 0.00 -2.42 0.00 0.00 31.31 30.35 3hj3 n TRP 316 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 3hj3 h SER 317 N 3.75 0.00 -0.03 -0.99 0.02 -0.19 -2.57 113.55 113.55 3hj3 h SER 317 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3hj3 h SER 317 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3hj3 h SER 317 CO 0.00 0.34 -0.19 1.23 -1.14 0.00 0.00 176.83 177.07 3hj3 h GLY 318 N 1.78 0.21 2.00 -3.77 0.00 -1.74 -2.35 103.07 99.19 3hj3 h GLY 318 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3hj3 h GLY 318 CO 0.04 0.27 0.00 0.70 0.00 0.00 0.00 176.54 177.55 3hj3 n ASN 319 N -4.57 0.41 -0.67 0.19 4.13 -1.23 -3.06 115.26 110.48 3hj3 n ASN 319 Ca -0.09 0.57 0.06 0.00 1.68 0.00 0.00 54.58 56.80 3hj3 n ASN 319 Cb 0.44 -0.67 0.15 0.00 -1.54 0.00 0.00 39.78 38.17 3hj3 n ASN 319 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hj3 n GLY 320 N 0.72 2.41 3.77 7.41 0.00 -0.97 -4.61 105.19 113.92 3hj3 n GLY 320 Ca 0.05 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3hj3 n GLY 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hj3 s SER 321 N -1.00 3.85 0.17 1.61 1.04 -0.89 -4.08 113.70 114.40 3hj3 s SER 321 Ca 0.24 1.26 -0.17 0.00 0.48 0.00 0.00 55.95 57.76 3hj3 s SER 321 Cb 0.13 -1.94 0.11 0.00 0.10 0.00 0.00 66.02 64.41 3hj3 s SER 321 CO 0.17 -2.37 1.67 0.50 0.98 0.00 0.00 173.24 174.19 3hj3 h LYS 322 N -1.37 0.01 0.17 4.02 1.63 -1.91 -3.10 116.57 116.02 3hj3 h LYS 322 Ca -0.49 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 3hj3 h LYS 322 Cb 1.29 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 3hj3 h LYS 322 CO 0.59 0.00 -0.08 0.93 -3.45 0.00 0.00 179.45 177.44 3hj3 h GLU 323 N 0.01 -0.21 -0.70 1.90 3.07 -1.95 -0.74 114.58 115.96 3hj3 h GLU 323 Ca 0.20 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.22 3hj3 h GLU 323 Cb 0.30 0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 28.15 3hj3 h GLU 323 CO -0.42 0.11 0.11 -0.92 -1.40 0.00 0.00 179.01 176.49 3hj3 h TYR 324 N -0.56 0.15 -0.07 4.33 3.20 -1.85 0.51 116.97 122.68 3hj3 h TYR 324 Ca -0.02 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hj3 h TYR 324 Cb 0.43 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3hj3 h TYR 324 CO 0.03 -0.12 0.05 -0.07 -1.64 0.00 0.00 178.16 176.41 3hj3 h LEU 325 N 0.21 0.09 -0.38 2.82 4.07 -1.49 -0.97 115.31 119.66 3hj3 h LEU 325 Ca 0.38 -0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.38 3hj3 h LEU 325 Cb 0.65 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.28 3hj3 h LEU 325 CO -0.52 0.11 -0.16 -0.08 -1.08 0.00 0.00 178.44 176.70 3hj3 h GLU 326 N 0.06 -0.09 -0.23 1.13 4.57 0.83 -0.92 114.58 119.93 3hj3 h GLU 326 Ca 0.03 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3hj3 h GLU 326 Cb 0.04 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3hj3 h GLU 326 CO -0.01 -0.06 -0.21 -0.09 -1.18 0.00 0.00 179.01 177.46 3hj3 h ARG 327 N -0.09 0.41 -0.91 1.92 2.43 0.08 -3.16 114.38 115.07 3hj3 h ARG 327 Ca 0.19 -0.14 -0.37 0.00 -0.81 0.00 0.00 59.98 58.85 3hj3 h ARG 327 Cb 0.38 -0.03 -0.22 0.00 -0.42 0.00 0.00 29.97 29.68 3hj3 h ARG 327 CO -0.44 0.61 0.47 0.44 -1.51 0.00 0.00 179.97 179.54 3hj3 n ILE 328 N -4.16 2.92 -2.81 1.20 -5.35 -0.39 -4.89 119.36 105.89 3hj3 n ILE 328 Ca -0.00 -1.65 -0.08 0.00 -0.27 0.00 0.00 62.75 60.74 3hj3 n ILE 328 Cb 0.37 -0.47 0.03 0.00 -1.74 0.00 0.00 39.64 37.83 3hj3 n ILE 328 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hj3 n GLY 329 N -0.65 0.36 2.70 3.28 0.00 -1.18 -4.96 105.19 104.74 3hj3 n GLY 329 Ca 0.48 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3hj3 n GLY 329 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hj3 n LEU 330 N -2.13 0.54 0.25 0.99 4.77 -0.37 -4.93 117.00 116.12 3hj3 n LEU 330 Ca -0.02 -3.49 0.14 0.00 -0.03 0.00 0.00 56.01 52.61 3hj3 n LEU 330 Cb 0.53 0.33 0.45 0.00 -2.33 0.00 0.00 43.42 42.39 3hj3 n LEU 330 CO 0.23 1.55 0.89 1.23 -1.33 0.00 0.00 177.39 179.96 3hj3 h GLY 331 N 2.57 0.00 2.00 -0.72 0.00 -1.82 -2.92 103.07 102.18 3hj3 h GLY 331 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3hj3 h GLY 331 CO 0.27 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.42 3hj3 n HIS 332 N -3.12 0.87 -2.58 5.60 1.44 -1.26 -4.83 115.22 111.34 3hj3 n HIS 332 Ca 0.02 0.31 -0.40 0.00 -2.01 0.00 0.00 57.72 55.65 3hj3 n HIS 332 Cb 0.42 -1.01 -0.05 0.00 0.12 0.00 0.00 29.99 29.47 3hj3 n HIS 332 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3hj3 s ARG 333 N -3.26 4.65 0.22 -1.40 6.06 -1.10 -5.02 118.95 119.09 3hj3 s ARG 333 Ca 0.06 1.65 -0.26 0.00 -2.50 0.00 0.00 55.73 54.68 3hj3 s ARG 333 Cb 0.10 -3.12 -0.09 0.00 0.06 0.00 0.00 34.95 31.90 3hj3 s ARG 333 CO 0.46 0.27 0.85 -2.00 -2.50 0.00 0.00 175.30 172.37 3hj3 s GLU 334 N -1.52 4.63 0.00 5.12 2.12 -1.26 -4.94 118.70 122.85 3hj3 s GLU 334 Ca 0.45 1.26 0.00 0.00 0.36 0.00 0.00 54.97 57.04 3hj3 s GLU 334 Cb -0.28 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3hj3 s GLU 334 CO 0.36 0.50 0.00 -1.91 -0.54 0.00 0.00 175.26 173.67 3hj3 n GLU 335 N 1.33 0.00 -1.42 4.30 4.07 -1.26 0.53 120.64 128.19 3hj3 n GLU 335 Ca -0.03 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.78 3hj3 n GLU 335 Cb 0.49 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.87 3hj3 n GLU 335 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3hj3 n ASN 336 N -0.05 6.90 -4.43 4.31 4.13 -1.26 -4.68 115.26 120.19 3hj3 n ASN 336 Ca 0.00 -3.41 -0.44 0.00 1.68 0.00 0.00 54.58 52.42 3hj3 n ASN 336 Cb 0.00 -1.12 -0.04 0.00 -1.54 0.00 0.00 39.78 37.09 3hj3 n ASN 336 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hj3 s ASP 337 N -0.35 6.32 0.35 6.41 3.68 0.19 -0.59 116.67 132.67 3hj3 s ASP 337 Ca 0.52 -1.45 0.27 0.00 2.13 0.00 0.00 52.55 54.02 3hj3 s ASP 337 Cb 0.38 -2.38 1.09 0.00 -1.45 0.00 0.00 42.92 40.57 3hj3 s ASP 337 CO -0.18 -1.23 1.80 -0.07 0.13 0.00 0.00 175.17 175.62 3hj3 h LEU 338 N 10.64 0.00 0.00 -1.34 3.38 -1.68 -3.45 115.31 122.85 3hj3 h LEU 338 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hj3 h LEU 338 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hj3 h LEU 338 CO 1.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.27 3hj3 n GLY 339 N 0.07 -2.46 2.53 0.83 0.00 -1.26 -2.21 105.19 102.69 3hj3 n GLY 339 Ca 0.02 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 3hj3 n GLY 339 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hj3 n PRO 340 N -0.36 3.18 0.00 1.61 -0.04 -1.26 -4.82 135.00 133.31 3hj3 n PRO 340 Ca 0.00 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 3hj3 n PRO 340 Cb 0.00 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 3hj3 n PRO 340 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3hj3 n ILE 341 N 4.34 0.00 -0.36 0.52 -5.35 -1.26 -4.53 119.36 112.72 3hj3 n ILE 341 Ca 0.65 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 63.04 3hj3 n ILE 341 Cb 0.30 -0.53 -0.07 0.00 -1.74 0.00 0.00 39.64 37.59 3hj3 n ILE 341 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3hj3 n TYR 342 N 0.00 -0.33 0.68 4.28 4.01 -1.26 0.90 117.16 125.44 3hj3 n TYR 342 Ca 0.00 1.07 0.13 0.00 -0.16 0.00 0.00 57.90 58.94 3hj3 n TYR 342 Cb 0.00 -0.60 0.44 0.00 -0.31 0.00 0.00 39.34 38.87 3hj3 n TYR 342 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hj3 n GLY 343 N -1.24 -1.68 0.17 2.72 0.00 -1.26 -1.09 105.19 102.82 3hj3 n GLY 343 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3hj3 n GLY 343 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hj3 h PHE 344 N 0.00 0.15 0.00 1.61 3.04 0.34 -2.31 116.94 119.77 3hj3 h PHE 344 Ca 0.00 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.90 3hj3 h PHE 344 Cb 0.70 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.18 3hj3 h PHE 344 CO 0.00 0.61 -0.58 1.96 -2.02 0.00 0.00 178.31 178.28 3hj3 h GLN 345 N 0.10 0.00 -0.20 1.11 1.08 -1.20 -0.44 115.11 115.56 3hj3 h GLN 345 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 3hj3 h GLN 345 Cb 0.94 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 3hj3 h GLN 345 CO 0.07 0.00 -0.51 -1.49 -0.95 0.00 0.00 178.83 175.95 3hj3 h TRP 346 N 0.00 0.70 0.00 2.96 4.06 -0.93 -3.20 115.95 119.54 3hj3 h TRP 346 Ca 0.00 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.71 3hj3 h TRP 346 Cb 0.97 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 3hj3 h TRP 346 CO 0.00 0.96 -0.82 0.54 -3.56 0.00 0.00 178.44 175.56 3hj3 n ARG 347 N -3.98 1.26 -2.68 0.49 5.12 -0.88 -1.35 116.66 114.64 3hj3 n ARG 347 Ca -0.03 -0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.82 3hj3 n ARG 347 Cb 0.58 -0.91 0.04 0.00 -1.16 0.00 0.00 32.46 31.01 3hj3 n ARG 347 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hj3 n HIS 348 N -1.41 1.51 -1.71 -1.55 8.25 -0.18 -3.58 115.22 116.55 3hj3 n HIS 348 Ca -0.00 -2.41 -0.64 0.00 -0.26 0.00 0.00 57.72 54.41 3hj3 n HIS 348 Cb 0.00 -0.28 -0.09 0.00 1.12 0.00 0.00 29.99 30.74 3hj3 n HIS 348 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3hj3 n TYR 349 N -0.44 1.70 -0.62 4.41 9.36 0.13 0.03 117.16 131.73 3hj3 n TYR 349 Ca 0.13 1.00 0.00 0.00 3.32 0.00 0.00 57.90 62.35 3hj3 n TYR 349 Cb 0.82 -2.27 0.00 0.00 -0.63 0.00 0.00 39.34 37.26 3hj3 n TYR 349 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3hj3 n ASN 350 N 3.98 0.00 -4.77 2.98 2.85 -1.26 -0.94 115.26 118.10 3hj3 n ASN 350 Ca 0.29 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.36 3hj3 n ASN 350 Cb 0.00 -0.65 -0.01 0.00 1.24 0.00 0.00 39.78 40.37 3hj3 n ASN 350 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3hj3 s GLY 351 N -2.00 2.92 -0.11 8.20 0.00 0.10 -4.85 107.32 111.58 3hj3 s GLY 351 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 44.72 45.59 3hj3 s GLY 351 CO 0.00 1.73 1.28 1.85 0.00 0.00 0.00 173.10 177.96 3hj3 s GLU 352 N -2.21 4.27 -0.09 2.90 2.12 -1.26 -4.90 118.70 119.53 3hj3 s GLU 352 Ca 0.56 1.73 -0.21 0.00 0.36 0.00 0.00 54.97 57.41 3hj3 s GLU 352 Cb -0.36 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 3hj3 s GLU 352 CO 0.46 -0.62 0.58 -0.47 -0.54 0.00 0.00 175.26 174.67 3hj3 s TYR 353 N 3.02 3.55 0.00 5.30 5.04 -1.26 -5.00 117.35 128.00 3hj3 s TYR 353 Ca 0.57 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 3hj3 s TYR 353 Cb -0.24 -2.66 0.00 0.00 0.35 0.00 0.00 41.96 39.40 3hj3 s TYR 353 CO 0.19 0.14 0.00 1.63 -1.34 0.00 0.00 175.55 176.17 3hj3 n LYS 354 N 3.68 0.00 -4.25 4.97 5.02 -1.26 -5.10 118.16 121.22 3hj3 n LYS 354 Ca -0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 3hj3 n LYS 354 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.43 3hj3 n LYS 354 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hj3 s THR 355 N 0.00 0.21 0.48 -0.18 -4.23 -1.26 -5.05 115.64 105.60 3hj3 s THR 355 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 3hj3 s THR 355 Cb 0.00 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.51 3hj3 s THR 355 CO 0.00 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.14 3hj3 h MET 356 N 2.48 0.00 0.00 3.99 -0.00 -1.95 -2.55 114.93 116.90 3hj3 h MET 356 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.34 3hj3 h MET 356 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 3hj3 h MET 356 CO 0.55 0.11 0.00 0.72 -0.00 0.00 0.00 176.91 178.29 3hj3 n HIS 357 N -4.40 0.72 -0.81 -0.10 8.25 -1.26 -4.84 115.22 112.79 3hj3 n HIS 357 Ca -0.03 0.22 -0.31 0.00 -0.26 0.00 0.00 57.72 57.34 3hj3 n HIS 357 Cb 0.18 -0.86 0.15 0.00 1.12 0.00 0.00 29.99 30.59 3hj3 n HIS 357 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hj3 s ASP 358 N -4.17 3.19 -0.50 0.41 1.11 -0.96 -5.01 116.67 110.74 3hj3 s ASP 358 Ca 0.10 2.16 -0.15 0.00 0.18 0.00 0.00 52.55 54.85 3hj3 s ASP 358 Cb 0.13 -2.56 0.11 0.00 1.07 0.00 0.00 42.92 41.66 3hj3 s ASP 358 CO 0.55 -2.92 0.44 -0.62 1.18 0.00 0.00 175.17 173.80 3hj3 s ASP 359 N -2.72 6.10 -0.10 0.27 2.15 -1.26 -4.91 116.67 116.20 3hj3 s ASP 359 Ca 0.67 -1.63 0.09 0.00 0.43 0.00 0.00 52.55 52.10 3hj3 s ASP 359 Cb -0.23 -2.17 0.43 0.00 -0.30 0.00 0.00 42.92 40.65 3hj3 s ASP 359 CO 0.57 -0.76 1.21 -1.22 -0.17 0.00 0.00 175.17 174.80 3hj3 n TYR 360 N 5.19 1.01 -1.55 -5.34 4.01 -1.26 -4.93 117.16 114.28 3hj3 n TYR 360 Ca -0.13 -0.37 -0.48 0.00 -0.16 0.00 0.00 57.90 56.77 3hj3 n TYR 360 Cb 0.41 -0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 3hj3 n TYR 360 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3hj3 n THR 361 N 0.42 0.34 -0.99 -0.72 5.66 -1.26 -0.72 114.28 117.01 3hj3 n THR 361 Ca 0.15 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 3hj3 n THR 361 Cb 0.68 -2.00 0.00 0.00 -1.55 0.00 0.00 70.33 67.46 3hj3 n THR 361 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hj3 n GLY 362 N 5.76 0.45 3.93 1.09 0.00 -1.26 -5.05 105.19 110.11 3hj3 n GLY 362 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 3hj3 n GLY 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hj3 s VAL 363 N -2.02 5.12 0.39 1.61 0.11 0.10 -5.00 120.40 120.71 3hj3 s VAL 363 Ca 0.00 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 3hj3 s VAL 363 Cb 0.00 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 3hj3 s VAL 363 CO 0.00 -0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.03 3hj3 n GLY 364 N -1.13 -2.61 3.74 6.54 0.00 -1.26 -4.50 105.19 105.97 3hj3 n GLY 364 Ca -0.04 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 3hj3 n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hj3 s VAL 365 N -3.13 4.84 -0.86 1.61 1.01 -0.11 -4.63 120.40 119.12 3hj3 s VAL 365 Ca 0.00 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 3hj3 s VAL 365 Cb 0.00 -4.08 0.16 0.00 0.00 0.00 0.00 36.38 32.46 3hj3 s VAL 365 CO 0.00 0.34 0.95 -0.62 0.00 0.00 0.00 175.10 175.77 3hj3 s ASP 366 N 0.17 6.63 0.07 3.32 3.68 -1.23 0.18 116.67 129.48 3hj3 s ASP 366 Ca 0.38 -2.21 -0.24 0.00 2.13 0.00 0.00 52.55 52.61 3hj3 s ASP 366 Cb -0.20 -2.32 -0.16 0.00 -1.45 0.00 0.00 42.92 38.79 3hj3 s ASP 366 CO 0.21 -0.89 1.64 1.56 0.13 0.00 0.00 175.17 177.82 3hj3 h GLN 367 N 8.49 -0.03 -0.52 4.34 4.20 -1.46 -2.07 115.11 128.07 3hj3 h GLN 367 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3hj3 h GLN 367 Cb 1.04 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 3hj3 h GLN 367 CO 0.98 0.08 0.28 1.25 -0.67 0.00 0.00 178.83 180.75 3hj3 h LEU 368 N -0.13 0.65 -0.34 1.46 5.85 -1.71 0.53 115.31 121.61 3hj3 h LEU 368 Ca -0.00 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3hj3 h LEU 368 Cb 0.12 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3hj3 h LEU 368 CO 0.00 0.55 0.10 0.00 -0.34 0.00 0.00 178.44 178.76 3hj3 h ALA 369 N 1.12 0.38 -0.46 1.25 0.00 -1.82 -1.97 119.26 117.76 3hj3 h ALA 369 Ca 0.18 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hj3 h ALA 369 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hj3 h ALA 369 CO -0.03 -0.30 0.15 0.87 0.00 0.00 0.00 179.25 179.93 3hj3 h LYS 370 N 0.23 0.71 -0.66 0.00 1.57 -0.63 -2.72 116.57 115.06 3hj3 h LYS 370 Ca 0.16 -0.15 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 3hj3 h LYS 370 Cb 0.16 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 3hj3 h LYS 370 CO -0.19 0.68 0.20 1.25 -0.57 0.00 0.00 179.45 180.83 3hj3 h LEU 371 N 0.60 0.13 -0.66 2.94 6.46 0.44 -0.41 115.31 124.82 3hj3 h LEU 371 Ca 0.15 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.94 3hj3 h LEU 371 Cb 0.26 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 3hj3 h LEU 371 CO -0.01 0.06 0.11 0.40 -0.62 0.00 0.00 178.44 178.38 3hj3 h ILE 372 N 0.35 1.26 -0.20 4.05 2.04 -1.08 0.17 117.51 124.10 3hj3 h ILE 372 Ca 0.35 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3hj3 h ILE 372 Cb 0.52 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3hj3 h ILE 372 CO -0.39 0.38 0.02 -0.33 0.00 0.00 0.00 178.15 177.83 3hj3 h GLU 373 N 1.00 0.10 -0.09 2.37 4.39 -0.84 -1.81 114.58 119.70 3hj3 h GLU 373 Ca 0.20 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 3hj3 h GLU 373 Cb 0.43 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3hj3 h GLU 373 CO 0.01 0.06 -0.57 1.79 -1.16 0.00 0.00 179.01 179.14 3hj3 h THR 374 N 0.10 1.37 0.23 1.13 1.35 -0.85 -0.16 112.91 116.08 3hj3 h THR 374 Ca 0.09 -1.90 -0.00 0.00 -0.55 0.00 0.00 66.41 64.05 3hj3 h THR 374 Cb 0.10 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 3hj3 h THR 374 CO -0.14 0.56 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.45 3hj3 h LEU 375 N 0.22 -0.47 -0.21 3.87 3.38 -0.59 -0.17 115.31 121.34 3hj3 h LEU 375 Ca -0.00 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 3hj3 h LEU 375 Cb 1.07 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hj3 h LEU 375 CO 0.09 -0.28 -0.87 0.07 0.09 0.00 0.00 178.44 177.54 3hj3 h LYS 376 N -0.42 0.51 0.02 1.13 2.10 -1.12 -3.35 116.57 115.44 3hj3 h LYS 376 Ca -0.01 -0.49 -0.11 0.00 -2.00 0.00 0.00 60.65 58.03 3hj3 h LYS 376 Cb 0.38 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 3hj3 h LYS 376 CO -0.01 1.13 -0.60 -0.91 -2.00 0.00 0.00 179.45 177.05 3hj3 h ASN 377 N 0.32 0.07 -3.79 7.07 4.21 -1.02 -3.43 115.58 119.01 3hj3 h ASN 377 Ca -0.07 -0.82 -0.64 0.00 1.21 0.00 0.00 56.30 55.97 3hj3 h ASN 377 Cb 1.49 -0.02 -0.40 0.00 -1.12 0.00 0.00 38.32 38.27 3hj3 h ASN 377 CO 0.16 1.25 -0.70 0.20 -1.29 0.00 0.00 177.43 177.04 3hj3 s ASN 378 N -6.55 4.50 -0.16 5.81 -0.87 -0.08 -4.95 114.94 112.63 3hj3 s ASN 378 Ca -0.22 -2.34 -0.13 0.00 -1.57 0.00 0.00 52.86 48.60 3hj3 s ASN 378 Cb 0.01 -1.51 -0.23 0.00 -0.02 0.00 0.00 41.25 39.51 3hj3 s ASN 378 CO 0.67 -0.34 0.27 -0.81 -2.57 0.00 0.00 177.10 174.32 3hj3 n PRO 379 N 3.99 0.67 -0.02 -0.60 -0.04 -1.23 -3.87 135.00 133.90 3hj3 n PRO 379 Ca 0.04 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 63.95 3hj3 n PRO 379 Cb 0.39 -1.71 0.34 0.00 -0.04 0.00 0.00 33.50 32.48 3hj3 n PRO 379 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hj3 n LYS 380 N -3.89 1.15 -1.31 0.54 5.02 -1.26 -4.48 118.16 113.93 3hj3 n LYS 380 Ca -0.33 -0.24 -0.35 0.00 -2.02 0.00 0.00 58.31 55.37 3hj3 n LYS 380 Cb 0.89 -1.22 0.09 0.00 -0.02 0.00 0.00 35.03 34.77 3hj3 n LYS 380 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hj3 n ASP 381 N -0.47 0.24 -0.86 4.39 9.92 -1.25 -4.94 116.55 123.58 3hj3 n ASP 381 Ca 0.10 0.64 0.02 0.00 -0.53 0.00 0.00 54.79 55.02 3hj3 n ASP 381 Cb 0.10 -1.38 0.20 0.00 -0.64 0.00 0.00 41.12 39.40 3hj3 n ASP 381 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hj3 n ARG 382 N -1.81 1.86 -0.03 -1.24 1.74 -1.26 -4.60 116.66 111.32 3hj3 n ARG 382 Ca 0.12 -3.10 0.02 0.00 -0.77 0.00 0.00 57.85 54.13 3hj3 n ARG 382 Cb 0.50 -1.74 0.04 0.00 -1.02 0.00 0.00 32.46 30.24 3hj3 n ARG 382 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hj3 n ARG 383 N -1.08 1.00 -1.56 5.56 1.74 -1.26 -4.96 116.66 116.10 3hj3 n ARG 383 Ca 0.26 -1.16 -0.21 0.00 -0.77 0.00 0.00 57.85 55.97 3hj3 n ARG 383 Cb 0.89 -1.10 -0.06 0.00 -1.02 0.00 0.00 32.46 31.17 3hj3 n ARG 383 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hj3 s HIS 384 N -0.63 1.10 -0.00 -1.55 3.76 -1.26 -4.91 115.29 111.80 3hj3 s HIS 384 Ca 0.07 1.88 -0.00 0.00 -0.15 0.00 0.00 55.06 56.85 3hj3 s HIS 384 Cb 0.04 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.26 3hj3 s HIS 384 CO 0.06 -1.89 0.01 0.42 -0.85 0.00 0.00 174.74 172.49 3hj3 s ILE 385 N 14.03 -0.00 -0.05 0.60 1.01 -1.26 -1.55 121.20 133.97 3hj3 s ILE 385 Ca 0.95 0.01 0.06 0.00 0.00 0.00 0.00 60.65 61.67 3hj3 s ILE 385 Cb -0.14 -0.02 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 3hj3 s ILE 385 CO 0.14 0.01 -0.24 -0.22 0.00 0.00 0.00 174.94 174.62 3hj3 s LEU 386 N 0.08 2.05 -0.03 2.97 2.96 0.44 -4.92 118.68 122.23 3hj3 s LEU 386 Ca -0.01 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3hj3 s LEU 386 Cb -0.01 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.38 3hj3 s LEU 386 CO -0.00 0.25 0.09 0.28 -1.32 0.00 0.00 176.35 175.64 3hj3 s THR 387 N -0.22 -0.00 -1.78 3.68 -1.32 -1.26 -0.90 115.64 113.84 3hj3 s THR 387 Ca -0.01 0.01 0.18 0.00 -1.21 0.00 0.00 61.69 60.65 3hj3 s THR 387 Cb -0.13 -0.13 0.04 0.00 -1.51 0.00 0.00 72.50 70.77 3hj3 s THR 387 CO 0.03 0.00 0.95 0.00 -2.21 0.00 0.00 174.62 173.39 3hj3 n ALA 388 N 3.10 3.02 -2.59 11.08 0.00 -0.24 -4.69 120.51 130.20 3hj3 n ALA 388 Ca -0.13 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.32 3hj3 n ALA 388 Cb 0.59 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 3hj3 n ALA 388 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3hj3 s TRP 389 N -1.86 2.43 -0.29 0.00 -0.11 -1.22 -4.81 118.94 113.08 3hj3 s TRP 389 Ca 0.16 -0.45 0.01 0.00 1.22 0.00 0.00 56.10 57.05 3hj3 s TRP 389 Cb 0.14 -4.63 0.07 0.00 -1.50 0.00 0.00 33.47 27.55 3hj3 s TRP 389 CO 0.38 -1.98 -0.04 1.21 -4.62 0.00 0.00 176.95 171.90 3hj3 s ASN 390 N 4.23 4.67 0.12 5.86 3.84 -1.26 -4.98 114.94 127.42 3hj3 s ASN 390 Ca 0.39 -1.52 -0.20 0.00 0.21 0.00 0.00 52.86 51.74 3hj3 s ASN 390 Cb -0.05 -1.62 -0.07 0.00 -0.55 0.00 0.00 41.25 38.95 3hj3 s ASN 390 CO 0.04 -0.26 1.76 -0.65 -2.79 0.00 0.00 177.10 175.19 3hj3 h PRO 391 N 7.83 0.16 -0.79 0.43 0.11 -2.01 -2.19 132.00 135.54 3hj3 h PRO 391 Ca -0.17 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.14 3hj3 h PRO 391 Cb 1.04 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3hj3 h PRO 391 CO 0.50 0.11 0.55 0.77 -0.21 0.00 0.00 178.00 179.72 3hj3 h SER 392 N 0.17 0.15 0.02 -2.05 0.02 -2.01 -2.70 113.55 107.14 3hj3 h SER 392 Ca 0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3hj3 h SER 392 Cb 0.02 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3hj3 h SER 392 CO -0.05 0.07 -1.20 0.00 -1.14 0.00 0.00 176.83 174.50 3hj3 n ALA 393 N -2.62 4.32 -0.35 3.77 0.00 -1.08 -4.63 120.51 119.91 3hj3 n ALA 393 Ca 0.16 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 53.14 3hj3 n ALA 393 Cb 0.75 -0.78 0.30 0.00 0.00 0.00 0.00 19.45 19.72 3hj3 n ALA 393 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hj3 h LEU 394 N 0.00 0.77 -0.55 0.00 3.38 -1.05 -1.05 115.31 116.81 3hj3 h LEU 394 Ca 0.00 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3hj3 h LEU 394 Cb 0.61 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3hj3 h LEU 394 CO 0.00 0.29 0.25 0.77 0.09 0.00 0.00 178.44 179.84 3hj3 h SER 395 N 0.78 0.31 0.59 -0.43 4.64 -1.82 -2.84 113.55 114.77 3hj3 h SER 395 Ca 0.56 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3hj3 h SER 395 Cb 0.82 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3hj3 h SER 395 CO -0.37 0.21 -0.09 0.00 -0.87 0.00 0.00 176.83 175.70 3hj3 n GLN 396 N -4.93 0.37 -2.89 4.77 6.02 -0.42 -4.87 117.38 115.43 3hj3 n GLN 396 Ca 0.06 -0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.69 3hj3 n GLN 396 Cb 0.19 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 3hj3 n GLN 396 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3hj3 s MET 397 N -2.68 3.58 -0.09 -1.09 -1.94 -1.07 -4.11 119.30 111.90 3hj3 s MET 397 Ca 0.23 0.13 -0.07 0.00 -1.71 0.00 0.00 55.69 54.27 3hj3 s MET 397 Cb 0.20 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.52 3hj3 s MET 397 CO 0.51 -0.06 0.25 0.00 -0.01 0.00 0.00 175.02 175.70 3hj3 h ALA 398 N 0.68 -0.11 -3.72 3.03 0.00 -1.75 -3.44 119.26 113.96 3hj3 h ALA 398 Ca -0.48 -0.09 -0.64 0.00 0.00 0.00 0.00 54.91 53.71 3hj3 h ALA 398 Cb 1.20 0.04 -0.38 0.00 0.00 0.00 0.00 17.79 18.65 3hj3 h ALA 398 CO 0.63 -0.11 -0.78 -1.17 0.00 0.00 0.00 179.25 177.82 3hj3 s LEU 399 N -8.64 3.10 0.37 0.00 2.96 -1.26 -5.08 118.68 110.12 3hj3 s LEU 399 Ca -0.04 -1.37 -0.24 0.00 -0.22 0.00 0.00 54.13 52.26 3hj3 s LEU 399 Cb -0.00 -1.36 -0.13 0.00 0.50 0.00 0.00 46.19 45.20 3hj3 s LEU 399 CO 0.15 -0.24 0.69 -2.65 -1.32 0.00 0.00 176.35 172.98 3hj3 n PRO 400 N 4.54 0.74 -1.70 0.98 -0.02 -1.26 -4.78 135.00 133.50 3hj3 n PRO 400 Ca -0.11 0.27 -0.44 0.00 -2.02 0.00 0.00 63.50 61.20 3hj3 n PRO 400 Cb 0.43 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 3hj3 n PRO 400 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hj3 n PRO 401 N 0.63 2.35 -0.09 0.52 -0.02 -1.26 -4.92 135.00 132.21 3hj3 n PRO 401 Ca 0.12 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 62.32 3hj3 n PRO 401 Cb 0.36 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 3hj3 n PRO 401 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hj3 s HIS 403 N -2.41 2.22 -0.12 0.00 0.00 -1.26 -1.52 115.29 112.20 3hj3 s HIS 403 Ca -0.22 0.40 0.10 0.00 -3.00 0.00 0.00 55.06 52.34 3hj3 s HIS 403 Cb 0.04 -4.41 -0.24 0.00 -4.00 0.00 0.00 32.58 23.98 3hj3 s HIS 403 CO 0.36 -2.02 0.36 0.28 -1.00 0.00 0.00 174.74 172.71 3hj3 n VAL 404 N 6.80 1.56 -3.64 -5.38 0.31 -0.93 -4.66 118.33 112.39 3hj3 n VAL 404 Ca 0.11 -0.77 -0.09 0.00 -0.01 0.00 0.00 64.34 63.58 3hj3 n VAL 404 Cb 0.49 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.33 3hj3 n VAL 404 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3hj3 s LEU 405 N -6.12 -0.64 0.15 7.52 0.20 -1.11 -1.08 118.68 117.61 3hj3 s LEU 405 Ca -0.12 1.15 0.08 0.00 0.69 0.00 0.00 54.13 55.93 3hj3 s LEU 405 Cb 0.07 2.13 -0.04 0.00 -0.43 0.00 0.00 46.19 47.93 3hj3 s LEU 405 CO 0.80 -0.19 -0.18 -0.94 -0.29 0.00 0.00 176.35 175.54 3hj3 s SER 406 N 0.66 2.58 0.05 3.68 1.04 -0.08 -0.85 113.70 120.79 3hj3 s SER 406 Ca -0.02 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.62 3hj3 s SER 406 Cb -0.05 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 3hj3 s SER 406 CO -0.07 -0.03 -0.10 -1.58 0.98 0.00 0.00 173.24 172.44 3hj3 s GLN 407 N -2.63 0.62 0.30 4.02 0.74 -0.50 -0.42 119.66 121.79 3hj3 s GLN 407 Ca 0.13 -0.76 0.11 0.00 0.05 0.00 0.00 55.36 54.89 3hj3 s GLN 407 Cb -0.06 -0.48 -0.05 0.00 1.10 0.00 0.00 33.01 33.51 3hj3 s GLN 407 CO 0.06 0.10 -0.17 0.71 -0.55 0.00 0.00 175.29 175.44 3hj3 s TYR 408 N -1.22 2.29 0.03 1.67 2.02 -0.60 -0.29 117.35 121.25 3hj3 s TYR 408 Ca -0.06 -0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 56.16 3hj3 s TYR 408 Cb -0.09 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 3hj3 s TYR 408 CO 0.01 0.66 0.17 -0.47 -1.57 0.00 0.00 175.55 174.35 3hj3 s TYR 409 N -2.56 0.07 -0.27 2.71 5.04 -0.54 -4.56 117.35 117.23 3hj3 s TYR 409 Ca 0.30 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.69 3hj3 s TYR 409 Cb -0.03 -0.05 0.08 0.00 0.35 0.00 0.00 41.96 42.31 3hj3 s TYR 409 CO 0.15 -0.39 -0.01 0.08 -1.34 0.00 0.00 175.55 174.05 3hj3 s VAL 410 N -2.27 1.57 0.86 3.14 1.01 -1.26 -1.30 120.40 122.15 3hj3 s VAL 410 Ca -0.07 -1.48 -0.11 0.00 0.00 0.00 0.00 61.98 60.31 3hj3 s VAL 410 Cb -0.03 -1.96 0.11 0.00 0.00 0.00 0.00 36.38 34.50 3hj3 s VAL 410 CO -0.02 -0.30 1.10 0.42 0.00 0.00 0.00 175.10 176.29 3hj3 s THR 411 N 1.33 2.82 0.52 3.92 -4.23 0.23 -4.86 115.64 115.37 3hj3 s THR 411 Ca 0.00 0.27 0.28 0.00 -1.18 0.00 0.00 61.69 61.06 3hj3 s THR 411 Cb -0.19 -2.64 0.32 0.00 1.34 0.00 0.00 72.50 71.34 3hj3 s THR 411 CO -0.10 -0.35 2.17 0.78 -0.54 0.00 0.00 174.62 176.59 3hj3 h ASN 412 N -1.47 0.00 -0.62 3.99 -0.26 -2.00 -2.02 115.58 113.20 3hj3 h ASN 412 Ca -0.46 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.03 3hj3 h ASN 412 Cb 1.26 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.37 3hj3 h ASN 412 CO 0.50 0.05 0.32 -0.90 -1.06 0.00 0.00 177.43 176.34 3hj3 n ASP 413 N -3.79 3.86 -3.25 5.81 5.75 -1.26 -4.91 116.55 118.76 3hj3 n ASP 413 Ca -0.02 -3.00 -0.23 0.00 -0.01 0.00 0.00 54.79 51.52 3hj3 n ASP 413 Cb 0.15 -0.71 0.04 0.00 -1.03 0.00 0.00 41.12 39.57 3hj3 n ASP 413 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3hj3 n ASN 414 N -0.31 -5.89 -4.79 -1.12 3.02 -0.76 -4.93 115.26 100.48 3hj3 n ASN 414 Ca 0.36 -0.39 -0.36 0.00 -0.03 0.00 0.00 54.58 54.16 3hj3 n ASN 414 Cb 1.22 -4.73 -0.07 0.00 -0.61 0.00 0.00 39.78 35.59 3hj3 n ASN 414 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hj3 s LEU 416 N -0.23 5.52 0.32 0.00 2.96 0.19 -0.60 118.68 126.83 3hj3 s LEU 416 Ca 0.11 -1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 52.35 3hj3 s LEU 416 Cb -0.11 -2.30 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 3hj3 s LEU 416 CO 0.01 -1.06 0.66 -0.44 -1.32 0.00 0.00 176.35 174.19 3hj3 s SER 417 N 3.54 6.56 0.06 3.68 0.01 -0.42 -1.18 113.70 125.96 3hj3 s SER 417 Ca 0.12 0.99 0.05 0.00 1.31 0.00 0.00 55.95 58.42 3hj3 s SER 417 Cb -0.23 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 3hj3 s SER 417 CO 0.04 -0.24 -0.13 0.00 0.41 0.00 0.00 173.24 173.32 3hj3 s ASN 419 N -1.62 2.59 -0.05 0.00 0.02 0.60 -1.79 114.94 114.68 3hj3 s ASN 419 Ca -0.03 -0.41 0.02 0.00 -1.02 0.00 0.00 52.86 51.42 3hj3 s ASN 419 Cb -0.10 -0.47 0.01 0.00 0.02 0.00 0.00 41.25 40.71 3hj3 s ASN 419 CO 0.02 0.24 -0.11 -0.22 0.02 0.00 0.00 177.10 177.05 3hj3 s LEU 420 N -0.32 1.65 -0.22 0.60 2.96 -0.36 -1.41 118.68 121.58 3hj3 s LEU 420 Ca 0.03 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3hj3 s LEU 420 Cb -0.10 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 3hj3 s LEU 420 CO 0.01 0.04 0.04 -0.47 -1.32 0.00 0.00 176.35 174.64 3hj3 s TYR 421 N 0.57 3.08 -0.27 5.38 5.04 -0.03 -0.41 117.35 130.71 3hj3 s TYR 421 Ca -0.11 -0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.08 3hj3 s TYR 421 Cb -0.14 -2.15 0.03 0.00 0.35 0.00 0.00 41.96 40.05 3hj3 s TYR 421 CO 0.03 -0.26 -0.03 -1.14 -1.34 0.00 0.00 175.55 172.80 3hj3 s GLN 422 N 1.22 2.78 -0.02 4.97 0.74 -0.16 -2.19 119.66 127.00 3hj3 s GLN 422 Ca 0.04 -1.02 -0.26 0.00 0.05 0.00 0.00 55.36 54.17 3hj3 s GLN 422 Cb -0.15 -3.08 -0.20 0.00 1.10 0.00 0.00 33.01 30.68 3hj3 s GLN 422 CO 0.02 -0.45 1.26 0.07 -0.55 0.00 0.00 175.29 175.64 3hj3 h ARG 423 N 8.04 -0.01 -2.92 1.67 0.11 -1.59 0.37 114.38 120.06 3hj3 h ARG 423 Ca -0.30 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.19 3hj3 h ARG 423 Cb 1.10 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.79 3hj3 h ARG 423 CO 0.57 0.48 -0.78 0.45 0.10 0.00 0.00 179.97 180.78 3hj3 s SER 424 N -5.68 3.46 -0.27 0.08 0.15 -1.25 -2.50 113.70 107.70 3hj3 s SER 424 Ca -0.16 -2.23 -0.10 0.00 0.70 0.00 0.00 55.95 54.15 3hj3 s SER 424 Cb 0.02 -0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 63.54 3hj3 s SER 424 CO 0.67 -0.32 0.17 0.00 1.20 0.00 0.00 173.24 174.96 3hj3 s ASP 426 N 1.57 5.94 0.30 0.00 3.68 -1.26 -3.03 116.67 123.87 3hj3 s ASP 426 Ca 0.07 -0.90 0.01 0.00 2.13 0.00 0.00 52.55 53.86 3hj3 s ASP 426 Cb -0.15 -2.56 0.72 0.00 -1.45 0.00 0.00 42.92 39.48 3hj3 s ASP 426 CO 0.09 -1.99 1.60 -0.07 0.13 0.00 0.00 175.17 174.93 3hj3 h LEU 427 N 14.61 -0.27 0.41 -1.34 -0.00 -1.71 0.50 115.31 127.52 3hj3 h LEU 427 Ca 0.05 0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 58.15 3hj3 h LEU 427 Cb 1.03 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 3hj3 h LEU 427 CO 1.32 -0.27 -0.20 1.23 -0.00 0.00 0.00 178.44 180.53 3hj3 h GLY 428 N 0.08 -0.58 0.01 0.83 0.00 -1.89 -3.32 103.07 98.20 3hj3 h GLY 428 Ca 0.57 0.21 -0.34 0.00 0.00 0.00 0.00 47.33 47.77 3hj3 h GLY 428 CO -0.79 -0.21 -1.85 -0.10 0.00 0.00 0.00 176.54 173.59 3hj3 n LEU 429 N -4.96 1.92 0.43 3.11 7.94 -1.15 -4.45 117.00 119.83 3hj3 n LEU 429 Ca -0.07 0.38 -0.17 0.00 -1.11 0.00 0.00 56.01 55.04 3hj3 n LEU 429 Cb 0.22 -0.90 -0.08 0.00 0.53 0.00 0.00 43.42 43.18 3hj3 n LEU 429 CO 0.17 0.42 0.46 1.23 -1.11 0.00 0.00 177.39 178.56 3hj3 h GLY 430 N -0.96 -1.14 0.12 -3.96 0.00 -0.45 -3.35 103.07 93.33 3hj3 h GLY 430 Ca -0.51 0.42 0.22 0.00 0.00 0.00 0.00 47.33 47.46 3hj3 h GLY 430 CO -0.31 -0.42 0.63 0.23 0.00 0.00 0.00 176.54 176.67 3hj3 h SER 431 N -1.22 0.53 -0.73 0.19 0.87 -0.61 0.71 113.55 113.29 3hj3 h SER 431 Ca -0.11 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 3hj3 h SER 431 Cb 0.84 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 3hj3 h SER 431 CO 0.18 0.17 0.26 -0.65 -0.53 0.00 0.00 176.83 176.27 3hj3 h PRO 432 N 0.51 1.13 -0.50 2.24 0.11 -1.76 -2.00 132.00 131.73 3hj3 h PRO 432 Ca 0.54 -0.22 0.03 0.00 0.11 0.00 0.00 66.00 66.46 3hj3 h PRO 432 Cb 1.20 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3hj3 h PRO 432 CO -0.27 0.94 0.28 0.74 -0.21 0.00 0.00 178.00 179.48 3hj3 h PHE 433 N 1.09 0.53 0.52 0.65 -1.00 -1.01 -2.86 116.94 114.86 3hj3 h PHE 433 Ca 0.24 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 61.02 3hj3 h PHE 433 Cb 0.26 -0.17 0.01 0.00 3.61 0.00 0.00 35.95 39.66 3hj3 h PHE 433 CO 0.02 0.29 -0.25 -0.91 -1.61 0.00 0.00 178.31 175.85 3hj3 h ASN 434 N 0.56 -0.59 -0.69 2.17 4.21 -1.09 0.46 115.58 120.60 3hj3 h ASN 434 Ca 0.21 -0.02 0.19 0.00 1.21 0.00 0.00 56.30 57.88 3hj3 h ASN 434 Cb 0.05 0.15 -0.13 0.00 -1.12 0.00 0.00 38.32 37.27 3hj3 h ASN 434 CO -0.11 -0.19 -0.00 -0.38 -1.29 0.00 0.00 177.43 175.46 3hj3 n ILE 435 N -5.25 -0.29 0.00 2.81 5.41 -0.79 -2.14 119.36 119.12 3hj3 n ILE 435 Ca -0.10 1.53 -0.18 0.00 1.00 0.00 0.00 62.75 65.01 3hj3 n ILE 435 Cb 0.30 -2.23 -0.14 0.00 -0.71 0.00 0.00 39.64 36.86 3hj3 n ILE 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hj3 h ALA 436 N 1.39 -0.05 -0.02 -1.39 0.00 -1.30 -2.72 119.26 115.17 3hj3 h ALA 436 Ca 0.41 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3hj3 h ALA 436 Cb 0.84 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3hj3 h ALA 436 CO -0.66 0.23 -0.49 0.77 0.00 0.00 0.00 179.25 179.10 3hj3 h SER 437 N -0.57 -1.52 0.49 0.00 0.02 -0.49 -1.41 113.55 110.07 3hj3 h SER 437 Ca -0.09 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3hj3 h SER 437 Cb 1.38 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.50 3hj3 h SER 437 CO 0.09 -0.47 0.00 -1.22 -1.14 0.00 0.00 176.83 174.10 3hj3 n TYR 438 N -5.18 0.12 -0.01 3.45 4.01 -0.91 -0.54 117.16 118.10 3hj3 n TYR 438 Ca -0.06 0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 3hj3 n TYR 438 Cb 0.36 -0.58 -0.10 0.00 -0.31 0.00 0.00 39.34 38.71 3hj3 n TYR 438 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hj3 h ALA 439 N 2.43 -0.05 0.83 -0.72 0.00 -1.10 -2.96 119.26 117.68 3hj3 h ALA 439 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3hj3 h ALA 439 Cb 0.25 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hj3 h ALA 439 CO 0.00 -0.19 -0.40 0.82 0.00 0.00 0.00 179.25 179.48 3hj3 h ILE 440 N -0.73 0.00 -1.00 0.00 2.04 -0.13 -2.86 117.51 114.83 3hj3 h ILE 440 Ca -0.01 -0.14 0.30 0.00 1.00 0.00 0.00 64.86 66.01 3hj3 h ILE 440 Cb 0.64 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.53 3hj3 h ILE 440 CO 0.01 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.51 3hj3 h LEU 441 N -1.25 -0.38 -0.94 1.44 5.85 -0.98 0.93 115.31 119.97 3hj3 h LEU 441 Ca -0.11 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hj3 h LEU 441 Cb 0.85 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 3hj3 h LEU 441 CO 0.19 -0.38 0.48 0.74 -0.34 0.00 0.00 178.44 179.13 3hj3 h THR 442 N 0.00 1.25 -0.26 1.05 2.02 -1.55 -0.67 112.91 114.76 3hj3 h THR 442 Ca 0.64 -0.63 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 3hj3 h THR 442 Cb 1.39 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3hj3 h THR 442 CO -0.91 0.29 -0.32 0.24 0.37 0.00 0.00 175.52 175.18 3hj3 h MET 443 N 1.23 0.68 0.17 6.66 2.86 0.10 -1.77 114.93 124.85 3hj3 h MET 443 Ca 0.31 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3hj3 h MET 443 Cb 0.03 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3hj3 h MET 443 CO -0.05 0.99 -0.08 0.52 1.06 0.00 0.00 176.91 179.35 3hj3 h MET 444 N 0.40 -0.22 -0.62 1.72 2.07 -0.82 -1.65 114.93 115.81 3hj3 h MET 444 Ca 0.03 0.02 0.10 0.00 -2.07 0.00 0.00 59.70 57.78 3hj3 h MET 444 Cb 0.90 0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.64 3hj3 h MET 444 CO 0.08 -0.11 0.42 -0.07 1.07 0.00 0.00 176.91 178.29 3hj3 h LEU 445 N -0.27 0.39 0.05 1.22 3.38 -1.10 -0.16 115.31 118.82 3hj3 h LEU 445 Ca -0.02 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3hj3 h LEU 445 Cb 0.21 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hj3 h LEU 445 CO 0.04 0.23 -0.79 0.00 0.09 0.00 0.00 178.44 178.01 3hj3 h ALA 446 N 1.69 0.02 0.05 1.53 0.00 -1.00 0.12 119.26 121.67 3hj3 h ALA 446 Ca 0.29 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hj3 h ALA 446 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hj3 h ALA 446 CO -0.08 0.43 -0.15 0.37 0.00 0.00 0.00 179.25 179.82 3hj3 h GLN 447 N -0.07 -0.27 0.00 0.00 4.15 -1.19 3.22 115.11 120.95 3hj3 h GLN 447 Ca -0.11 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3hj3 h GLN 447 Cb 1.52 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.27 3hj3 h GLN 447 CO 0.15 -0.18 -0.05 0.28 -1.93 0.00 0.00 178.83 177.10 3hj3 h VAL 448 N -0.28 0.34 -0.51 2.39 2.07 -0.90 -1.22 116.25 118.14 3hj3 h VAL 448 Ca 0.03 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hj3 h VAL 448 Cb 0.32 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3hj3 h VAL 448 CO -0.11 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.53 3hj3 n GLY 450 N 0.72 -0.54 3.39 0.00 0.00 -0.46 -4.84 105.19 103.45 3hj3 n GLY 450 Ca 0.21 0.24 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 3hj3 n GLY 450 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hj3 s TYR 451 N -3.30 1.80 -0.13 1.61 1.51 1.06 -4.99 117.35 114.92 3hj3 s TYR 451 Ca 0.55 -0.75 -0.07 0.00 -1.01 0.00 0.00 57.07 55.80 3hj3 s TYR 451 Cb -0.25 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 3hj3 s TYR 451 CO 0.68 0.20 0.11 -1.21 -1.11 0.00 0.00 175.55 174.22 3hj3 s GLU 452 N -3.76 3.49 0.37 -0.62 0.41 -0.69 -3.42 118.70 114.48 3hj3 s GLU 452 Ca 0.28 -0.20 -0.25 0.00 -0.41 0.00 0.00 54.97 54.39 3hj3 s GLU 452 Cb 0.04 -3.16 -0.12 0.00 -1.78 0.00 0.00 34.13 29.11 3hj3 s GLU 452 CO 0.10 0.68 0.88 -2.30 -0.49 0.00 0.00 175.26 174.13 3hj3 n PRO 453 N 2.28 1.10 0.00 0.39 -0.02 -1.26 0.55 135.00 138.03 3hj3 n PRO 453 Ca -0.19 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3hj3 n PRO 453 Cb 0.54 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3hj3 n PRO 453 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hj3 n GLY 454 N 1.37 5.18 3.90 -1.23 0.00 -0.32 -4.04 105.19 110.06 3hj3 n GLY 454 Ca 0.10 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 3hj3 n GLY 454 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hj3 s GLU 455 N 4.61 3.63 -0.26 1.61 2.02 -1.26 -0.01 118.70 129.04 3hj3 s GLU 455 Ca 0.00 -0.05 -0.00 0.00 0.02 0.00 0.00 54.97 54.94 3hj3 s GLU 455 Cb 0.00 -2.72 0.08 0.00 0.10 0.00 0.00 34.13 31.58 3hj3 s GLU 455 CO 0.00 0.31 0.02 -1.17 0.02 0.00 0.00 175.26 174.44 3hj3 s LEU 456 N -3.25 2.35 -0.08 1.80 2.96 0.33 -1.30 118.68 121.50 3hj3 s LEU 456 Ca 0.43 -1.32 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 3hj3 s LEU 456 Cb -0.11 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 3hj3 s LEU 456 CO 0.28 -0.32 0.34 0.00 -1.32 0.00 0.00 176.35 175.33 3hj3 s ALA 457 N 1.52 3.67 -0.16 5.97 0.00 -0.74 -1.41 121.76 130.61 3hj3 s ALA 457 Ca 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.65 3hj3 s ALA 457 Cb -0.18 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.59 3hj3 s ALA 457 CO -0.12 0.33 -0.21 0.42 0.00 0.00 0.00 175.76 176.18 3hj3 s ILE 458 N -0.41 2.02 -0.17 0.00 1.01 0.24 -1.22 121.20 122.68 3hj3 s ILE 458 Ca 0.21 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 3hj3 s ILE 458 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3hj3 s ILE 458 CO 0.09 0.54 -0.02 -0.36 0.00 0.00 0.00 174.94 175.19 3hj3 s PHE 459 N 1.06 3.06 0.01 3.97 0.40 0.46 -1.41 117.98 125.53 3hj3 s PHE 459 Ca -0.01 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.14 3hj3 s PHE 459 Cb -0.14 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 3hj3 s PHE 459 CO -0.07 -0.03 -0.23 0.42 0.70 0.00 0.00 175.22 176.00 3hj3 s ILE 460 N 0.45 2.33 0.00 0.64 1.01 0.31 -0.99 121.20 124.95 3hj3 s ILE 460 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.43 3hj3 s ILE 460 Cb -0.14 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3hj3 s ILE 460 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3hj3 n GLY 461 N 2.00 1.49 3.57 6.18 0.00 0.12 -1.47 105.19 117.08 3hj3 n GLY 461 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 3hj3 n GLY 461 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hj3 s ASP 462 N -1.00 3.76 -0.19 1.61 3.68 -1.04 -0.74 116.67 122.76 3hj3 s ASP 462 Ca 0.00 -0.23 -0.27 0.00 2.13 0.00 0.00 52.55 54.18 3hj3 s ASP 462 Cb 0.00 -2.56 -0.01 0.00 -1.45 0.00 0.00 42.92 38.90 3hj3 s ASP 462 CO 0.00 -4.13 0.91 0.00 0.13 0.00 0.00 175.17 172.08 3hj3 s ALA 463 N 15.41 3.56 -0.05 3.66 0.00 -0.90 -2.58 121.76 140.86 3hj3 s ALA 463 Ca 0.89 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 3hj3 s ALA 463 Cb -0.11 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.70 3hj3 s ALA 463 CO 0.11 -0.78 0.41 -3.38 0.00 0.00 0.00 175.76 172.11 3hj3 s HIS 464 N 2.49 -0.33 -0.07 0.00 -0.00 -1.17 -1.04 115.29 115.18 3hj3 s HIS 464 Ca 0.41 0.60 0.03 0.00 -0.00 0.00 0.00 55.06 56.09 3hj3 s HIS 464 Cb -0.16 0.17 -0.02 0.00 -0.00 0.00 0.00 32.58 32.57 3hj3 s HIS 464 CO 0.11 -0.41 -0.17 0.42 -0.00 0.00 0.00 174.74 174.70 3hj3 s ILE 465 N -1.02 2.81 0.26 -5.38 1.01 -1.11 -1.71 121.20 116.05 3hj3 s ILE 465 Ca -0.11 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 3hj3 s ILE 465 Cb -0.04 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 40.23 3hj3 s ILE 465 CO 0.05 0.57 1.28 -0.31 0.00 0.00 0.00 174.94 176.52 3hj3 s TYR 466 N -0.27 3.23 0.33 3.97 2.02 -1.26 -1.08 117.35 124.30 3hj3 s TYR 466 Ca 0.01 1.36 0.24 0.00 -0.37 0.00 0.00 57.07 58.31 3hj3 s TYR 466 Cb -0.13 -3.58 1.17 0.00 -0.40 0.00 0.00 41.96 39.02 3hj3 s TYR 466 CO 0.03 -1.67 1.96 1.05 -1.57 0.00 0.00 175.55 175.35 3hj3 h GLU 467 N 4.42 0.00 -0.50 -0.62 4.11 -1.79 -2.21 114.58 117.99 3hj3 h GLU 467 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3hj3 h GLU 467 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hj3 h GLU 467 CO 0.71 0.20 0.00 0.27 0.07 0.00 0.00 179.01 180.26 3hj3 n ASN 468 N -3.67 0.50 0.00 3.06 2.04 -1.26 -1.57 115.26 114.36 3hj3 n ASN 468 Ca -0.01 -1.22 0.00 0.00 -0.44 0.00 0.00 54.58 52.91 3hj3 n ASN 468 Cb 0.32 -0.25 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 3hj3 n ASN 468 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 3hj3 n HIS 469 N 0.07 0.00 -0.34 -2.53 8.25 -0.83 -4.85 115.22 114.98 3hj3 n HIS 469 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3hj3 n HIS 469 Cb 0.12 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.52 3hj3 n HIS 469 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hj3 h LEU 470 N 0.00 0.75 0.01 2.41 4.07 -1.41 -1.61 115.31 119.52 3hj3 h LEU 470 Ca 0.00 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3hj3 h LEU 470 Cb 0.07 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.77 3hj3 h LEU 470 CO 0.00 0.30 -0.00 0.71 -1.08 0.00 0.00 178.44 178.36 3hj3 h THR 471 N 0.77 1.47 -0.94 0.22 1.35 -1.89 -2.42 112.91 111.47 3hj3 h THR 471 Ca 0.54 -2.04 0.27 0.00 -0.55 0.00 0.00 66.41 64.63 3hj3 h THR 471 Cb 0.79 2.74 -0.14 0.00 -1.73 0.00 0.00 68.15 69.81 3hj3 h THR 471 CO -0.36 0.49 0.41 1.56 -0.25 0.00 0.00 175.52 177.37 3hj3 h GLN 472 N -0.97 0.29 -0.05 4.72 7.50 -1.88 0.48 115.11 125.20 3hj3 h GLN 472 Ca -0.00 -0.02 -0.23 0.00 0.50 0.00 0.00 58.65 58.90 3hj3 h GLN 472 Cb 0.80 -0.07 0.01 0.00 0.05 0.00 0.00 27.48 28.28 3hj3 h GLN 472 CO 0.00 0.19 -0.91 -0.07 -1.50 0.00 0.00 178.83 176.55 3hj3 h LEU 473 N 0.30 0.74 -1.15 1.46 3.38 -1.37 -0.33 115.31 118.33 3hj3 h LEU 473 Ca 0.64 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hj3 h LEU 473 Cb 1.36 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3hj3 h LEU 473 CO -0.62 1.34 0.39 0.50 0.09 0.00 0.00 178.44 180.15 3hj3 h LYS 474 N 0.36 0.98 0.81 1.13 1.63 -0.83 0.14 116.57 120.79 3hj3 h LYS 474 Ca -0.08 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.58 3hj3 h LYS 474 Cb 1.54 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 32.98 3hj3 h LYS 474 CO 0.17 0.71 -0.39 1.49 -3.45 0.00 0.00 179.45 177.98 3hj3 h GLU 475 N 0.99 -1.05 -1.35 1.90 4.57 -0.83 -2.56 114.58 116.24 3hj3 h GLU 475 Ca 0.25 0.07 0.40 0.00 -1.18 0.00 0.00 59.36 58.91 3hj3 h GLU 475 Cb 0.02 0.24 -0.09 0.00 -0.16 0.00 0.00 28.75 28.76 3hj3 h GLU 475 CO -0.04 -0.70 0.92 0.37 -1.18 0.00 0.00 179.01 178.38 3hj3 h GLN 476 N -1.16 0.10 -0.00 1.92 4.15 -0.85 0.81 115.11 120.08 3hj3 h GLN 476 Ca -0.11 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3hj3 h GLN 476 Cb 0.84 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3hj3 h GLN 476 CO 0.18 0.07 -0.02 1.28 -1.93 0.00 0.00 178.83 178.42 3hj3 n LEU 477 N -4.40 0.03 -0.04 -2.39 4.77 0.47 -3.41 117.00 112.02 3hj3 n LEU 477 Ca 0.33 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.54 3hj3 n LEU 477 Cb 1.38 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 41.94 3hj3 n LEU 477 CO 0.31 0.01 0.16 0.77 -1.33 0.00 0.00 177.39 177.31 3hj3 h SER 478 N 0.02 0.13 -1.50 -1.43 4.64 0.10 -3.40 113.55 112.10 3hj3 h SER 478 Ca 0.00 -0.93 -0.73 0.00 -0.47 0.00 0.00 61.79 59.67 3hj3 h SER 478 Cb 0.42 -0.04 0.04 0.00 -0.31 0.00 0.00 62.40 62.51 3hj3 h SER 478 CO 0.00 1.18 0.55 0.54 -0.87 0.00 0.00 176.83 178.23 3hj3 n ARG 479 N -4.44 0.92 -3.07 4.77 1.74 -1.13 -4.70 116.66 110.75 3hj3 n ARG 479 Ca -0.14 0.33 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 3hj3 n ARG 479 Cb 0.60 -1.96 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 3hj3 n ARG 479 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hj3 s THR 480 N 1.48 5.02 0.48 0.55 2.01 -1.26 -4.80 115.64 119.12 3hj3 s THR 480 Ca 0.91 1.41 -0.24 0.00 0.31 0.00 0.00 61.69 64.08 3hj3 s THR 480 Cb -1.07 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 67.35 3hj3 s THR 480 CO 0.56 0.28 1.36 -2.16 -0.69 0.00 0.00 174.62 173.97 3hj3 s PRO 481 N 0.63 3.54 0.18 4.92 0.04 -1.26 -4.87 135.00 138.18 3hj3 s PRO 481 Ca 0.36 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.70 3hj3 s PRO 481 Cb -0.18 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 3hj3 s PRO 481 CO 0.18 -0.88 0.18 1.03 0.04 0.00 0.00 177.00 177.55 3hj3 s ARG 482 N -2.61 3.00 0.20 4.56 0.52 -1.26 -5.04 118.95 118.31 3hj3 s ARG 482 Ca 0.64 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 3hj3 s ARG 482 Cb -0.40 -2.68 -0.16 0.00 0.52 0.00 0.00 34.95 32.23 3hj3 s ARG 482 CO 0.50 0.47 0.96 -0.35 0.02 0.00 0.00 175.30 176.90 3hj3 n PRO 483 N -0.58 0.84 -1.71 3.54 -0.04 -1.26 -4.66 135.00 131.13 3hj3 n PRO 483 Ca -0.08 0.30 -0.39 0.00 -0.04 0.00 0.00 63.50 63.29 3hj3 n PRO 483 Cb 0.55 -1.64 0.03 0.00 -0.04 0.00 0.00 33.50 32.40 3hj3 n PRO 483 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hj3 n PHE 484 N 0.79 2.06 -0.72 0.54 3.72 -1.26 -4.81 117.46 117.78 3hj3 n PHE 484 Ca 0.15 0.45 -0.23 0.00 -0.05 0.00 0.00 57.45 57.77 3hj3 n PHE 484 Cb 0.25 -2.34 0.20 0.00 -0.94 0.00 0.00 39.48 36.65 3hj3 n PHE 484 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3hj3 n PRO 485 N -0.66 -3.02 -4.41 -1.08 -0.04 -1.25 -4.70 135.00 119.84 3hj3 n PRO 485 Ca 0.09 -1.26 -0.29 0.00 -0.04 0.00 0.00 63.50 62.01 3hj3 n PRO 485 Cb 0.43 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.49 3hj3 n PRO 485 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3hj3 s GLN 486 N -4.78 1.47 -0.04 0.54 -1.52 0.17 -2.00 119.66 113.50 3hj3 s GLN 486 Ca 0.52 -1.31 0.01 0.00 -1.95 0.00 0.00 55.36 52.63 3hj3 s GLN 486 Cb -0.06 -1.93 0.02 0.00 -0.22 0.00 0.00 33.01 30.81 3hj3 s GLN 486 CO 0.41 0.46 -0.05 -1.17 -0.25 0.00 0.00 175.29 174.69 3hj3 s LEU 487 N -2.03 1.47 0.01 2.90 0.20 -1.26 -1.29 118.68 118.68 3hj3 s LEU 487 Ca 0.14 -0.14 -0.11 0.00 0.69 0.00 0.00 54.13 54.71 3hj3 s LEU 487 Cb -0.10 -0.45 0.01 0.00 -0.43 0.00 0.00 46.19 45.22 3hj3 s LEU 487 CO 0.06 -0.02 0.23 -0.54 -0.29 0.00 0.00 176.35 175.79 3hj3 s LYS 488 N 0.69 0.63 0.29 1.98 -0.14 -0.94 -4.99 119.74 117.27 3hj3 s LYS 488 Ca -0.10 -0.38 -0.08 0.00 -1.36 0.00 0.00 55.97 54.05 3hj3 s LYS 488 Cb -0.13 0.27 -0.06 0.00 -1.68 0.00 0.00 37.83 36.23 3hj3 s LYS 488 CO 0.00 -0.17 0.60 -0.06 -0.76 0.00 0.00 175.35 174.96 3hj3 s PHE 489 N -1.74 3.45 -0.07 3.18 0.08 -1.26 -0.11 117.98 121.51 3hj3 s PHE 489 Ca -0.11 0.83 -0.15 0.00 0.12 0.00 0.00 56.93 57.62 3hj3 s PHE 489 Cb -0.05 -2.24 -0.29 0.00 -0.57 0.00 0.00 43.02 39.86 3hj3 s PHE 489 CO 0.01 0.16 0.66 0.87 -0.10 0.00 0.00 175.22 176.82 3hj3 h LYS 490 N 1.98 0.32 -6.26 0.44 1.57 0.02 -3.46 116.57 111.18 3hj3 h LYS 490 Ca -0.47 -0.55 -0.58 0.00 -1.87 0.00 0.00 60.65 57.17 3hj3 h LYS 490 Cb 1.18 0.21 -0.19 0.00 0.08 0.00 0.00 32.23 33.50 3hj3 h LYS 490 CO 0.67 1.26 -0.81 -0.98 -0.57 0.00 0.00 179.45 179.02 3hj3 s ARG 491 N -2.51 1.31 -1.03 3.15 1.70 -1.26 -5.07 118.95 115.23 3hj3 s ARG 491 Ca -0.17 -1.37 -0.21 0.00 -0.47 0.00 0.00 55.73 53.51 3hj3 s ARG 491 Cb 0.04 -1.53 0.08 0.00 -0.57 0.00 0.00 34.95 32.97 3hj3 s ARG 491 CO 0.82 0.33 1.39 0.21 -1.08 0.00 0.00 175.30 176.97 3hj3 s LYS 492 N -2.48 3.66 0.80 3.89 2.47 -1.26 -5.00 119.74 121.83 3hj3 s LYS 492 Ca 0.15 -1.48 -0.11 0.00 -1.56 0.00 0.00 55.97 52.97 3hj3 s LYS 492 Cb -0.08 -5.24 0.08 0.00 -1.46 0.00 0.00 37.83 31.14 3hj3 s LYS 492 CO 0.07 -2.06 1.11 0.14 0.16 0.00 0.00 175.35 174.76 3hj3 s VAL 493 N 4.05 2.95 -0.58 4.02 -7.23 -1.26 -4.94 120.40 117.41 3hj3 s VAL 493 Ca 0.43 0.32 0.23 0.00 -1.81 0.00 0.00 61.98 61.15 3hj3 s VAL 493 Cb -0.01 -2.68 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 3hj3 s VAL 493 CO -0.07 -0.39 1.04 -1.84 -0.31 0.00 0.00 175.10 173.53 3hj3 n GLU 494 N -3.64 0.31 -3.65 4.82 0.28 -1.26 -4.83 120.64 112.68 3hj3 n GLU 494 Ca 0.10 0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 57.02 3hj3 n GLU 494 Cb 0.53 -1.61 -0.07 0.00 1.43 0.00 0.00 31.44 31.71 3hj3 n GLU 494 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3hj3 s ASN 495 N -4.04 -0.86 0.40 -1.84 3.84 -1.26 -5.06 114.94 106.12 3hj3 s ASN 495 Ca 0.03 1.43 0.14 0.00 0.21 0.00 0.00 52.86 54.67 3hj3 s ASN 495 Cb 0.14 1.32 0.98 0.00 -0.55 0.00 0.00 41.25 43.14 3hj3 s ASN 495 CO 0.80 -0.23 1.90 -0.29 -2.79 0.00 0.00 177.10 176.48 3hj3 h ILE 496 N 4.91 0.81 0.00 -5.21 2.10 -1.93 0.12 117.51 118.30 3hj3 h ILE 496 Ca -0.31 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3hj3 h ILE 496 Cb 1.21 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 3hj3 h ILE 496 CO 0.16 0.09 0.00 1.05 -1.08 0.00 0.00 178.15 178.37 3hj3 h GLU 497 N 0.50 0.00 -0.02 2.19 9.09 -1.97 -3.14 114.58 121.24 3hj3 h GLU 497 Ca 0.40 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.81 3hj3 h GLU 497 Cb 0.81 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.91 3hj3 h GLU 497 CO -0.15 0.00 0.15 -0.44 0.05 0.00 0.00 179.01 178.62 3hj3 h ASP 498 N 0.00 0.00 -4.17 3.06 3.45 -1.17 -3.45 116.42 114.14 3hj3 h ASP 498 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 3hj3 h ASP 498 Cb 0.51 0.00 0.14 0.00 -0.56 0.00 0.00 39.33 39.42 3hj3 h ASP 498 CO 0.00 0.00 0.40 -0.36 -1.57 0.00 0.00 179.24 177.71 3hj3 s PHE 499 N -4.18 2.16 0.02 4.55 0.40 -1.19 -5.06 117.98 114.67 3hj3 s PHE 499 Ca -0.04 1.58 -0.09 0.00 -0.60 0.00 0.00 56.93 57.79 3hj3 s PHE 499 Cb 0.12 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 40.22 3hj3 s PHE 499 CO 0.37 -2.45 0.17 0.15 0.70 0.00 0.00 175.22 174.16 3hj3 s LYS 500 N -3.88 0.59 0.31 0.44 -0.14 -1.26 -5.06 119.74 110.75 3hj3 s LYS 500 Ca 0.74 -0.51 0.04 0.00 -1.36 0.00 0.00 55.97 54.88 3hj3 s LYS 500 Cb -0.28 0.25 0.81 0.00 -1.68 0.00 0.00 37.83 36.92 3hj3 s LYS 500 CO 0.44 -0.16 1.52 1.87 -0.76 0.00 0.00 175.35 178.26 3hj3 n TRP 501 N 1.06 0.68 -0.08 3.18 -0.00 -1.26 -0.34 117.44 120.68 3hj3 n TRP 501 Ca -0.21 1.17 0.21 0.00 -0.00 0.00 0.00 57.50 58.66 3hj3 n TRP 501 Cb 0.57 -1.27 0.65 0.00 -0.00 0.00 0.00 31.31 31.26 3hj3 n TRP 501 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3hj3 h GLU 502 N 0.00 0.10 0.00 5.87 3.07 -2.02 -1.43 114.58 120.17 3hj3 h GLU 502 Ca 0.62 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 3hj3 h GLU 502 Cb 1.33 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3hj3 h GLU 502 CO -0.89 0.07 0.00 -0.25 -1.40 0.00 0.00 179.01 176.54 3hj3 n ASP 503 N -4.39 0.00 -4.42 1.42 10.43 0.54 -4.67 116.55 115.47 3hj3 n ASP 503 Ca 0.13 0.41 -0.37 0.00 2.57 0.00 0.00 54.79 57.53 3hj3 n ASP 503 Cb 0.65 -0.43 -0.13 0.00 1.84 0.00 0.00 41.12 43.05 3hj3 n ASP 503 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hj3 s ILE 504 N -2.87 4.19 -0.27 0.53 1.01 -0.54 0.74 121.20 124.00 3hj3 s ILE 504 Ca 0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 3hj3 s ILE 504 Cb 0.04 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 3hj3 s ILE 504 CO 0.10 0.28 0.18 -0.70 0.00 0.00 0.00 174.94 174.80 3hj3 s GLU 505 N 1.58 3.99 -0.55 2.79 2.12 0.84 -4.98 118.70 124.49 3hj3 s GLU 505 Ca 0.06 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 3hj3 s GLU 505 Cb -0.16 -3.62 0.14 0.00 0.26 0.00 0.00 34.13 30.76 3hj3 s GLU 505 CO 0.03 -0.10 0.41 -1.17 -0.54 0.00 0.00 175.26 173.89 3hj3 s LEU 506 N 1.53 5.73 -0.04 2.70 0.20 -1.26 -2.21 118.68 125.33 3hj3 s LEU 506 Ca 0.07 -2.20 -0.19 0.00 0.69 0.00 0.00 54.13 52.50 3hj3 s LEU 506 Cb -0.15 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 43.56 3hj3 s LEU 506 CO 0.09 -0.61 0.52 -0.63 -0.29 0.00 0.00 176.35 175.42 3hj3 s ILE 507 N 0.92 5.03 -0.37 6.68 1.09 -0.41 -4.56 121.20 129.57 3hj3 s ILE 507 Ca 0.10 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 60.71 3hj3 s ILE 507 Cb -0.23 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 3hj3 s ILE 507 CO -0.02 0.42 0.00 0.61 -0.10 0.00 0.00 174.94 175.85 3hj3 n GLY 508 N 2.60 0.65 3.56 6.18 0.00 -1.26 0.41 105.19 117.33 3hj3 n GLY 508 Ca -0.08 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3hj3 n GLY 508 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hj3 s TYR 509 N -2.07 2.89 -0.39 1.61 6.04 -1.26 -4.45 117.35 119.72 3hj3 s TYR 509 Ca 0.00 0.36 0.02 0.00 0.04 0.00 0.00 57.07 57.49 3hj3 s TYR 509 Cb 0.00 -4.03 0.12 0.00 -1.04 0.00 0.00 41.96 37.00 3hj3 s TYR 509 CO 0.00 -1.16 0.15 0.71 -1.54 0.00 0.00 175.55 173.72 3hj3 s TYR 510 N 3.86 2.52 0.50 4.97 2.02 -1.26 -5.06 117.35 124.90 3hj3 s TYR 510 Ca 0.37 -2.47 -0.01 0.00 -0.37 0.00 0.00 57.07 54.58 3hj3 s TYR 510 Cb -0.10 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 3hj3 s TYR 510 CO 0.26 -0.85 0.75 -1.25 -1.57 0.00 0.00 175.55 172.89 3hj3 s PRO 511 N 0.78 2.97 0.00 -1.71 0.04 -1.26 -4.89 135.00 130.93 3hj3 s PRO 511 Ca 0.14 -0.37 -0.00 0.00 0.04 0.00 0.00 61.00 60.81 3hj3 s PRO 511 Cb -0.21 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3hj3 s PRO 511 CO -0.09 -0.44 0.00 0.66 0.04 0.00 0.00 177.00 177.17 3hj3 n TYR 512 N -2.26 -2.04 -2.28 0.56 4.02 -0.11 -4.92 117.16 110.13 3hj3 n TYR 512 Ca 0.03 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 3hj3 n TYR 512 Cb 0.58 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.88 3hj3 n TYR 512 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3hj3 s PRO 513 N -3.00 3.72 0.81 -0.72 0.02 -1.26 -3.65 135.00 130.92 3hj3 s PRO 513 Ca 0.00 1.06 -0.14 0.00 0.02 0.00 0.00 61.00 61.95 3hj3 s PRO 513 Cb -0.00 -2.10 0.05 0.00 0.02 0.00 0.00 34.50 32.47 3hj3 s PRO 513 CO 0.00 -0.47 0.95 0.25 -0.33 0.00 0.00 177.00 177.40 3hj3 n THR 514 N -1.70 1.73 -3.92 0.99 -2.24 -1.26 -3.41 114.28 104.46 3hj3 n THR 514 Ca 0.07 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 3hj3 n THR 514 Cb 0.54 -1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 67.58 3hj3 n THR 514 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hj3 s ILE 515 N -2.11 1.39 -0.13 2.28 1.01 -1.26 -4.86 121.20 117.51 3hj3 s ILE 515 Ca 0.70 -1.02 -0.36 0.00 0.00 0.00 0.00 60.65 59.97 3hj3 s ILE 515 Cb -0.29 -1.62 -0.13 0.00 0.01 0.00 0.00 42.46 40.42 3hj3 s ILE 515 CO 0.54 -0.02 1.82 0.29 0.00 0.00 0.00 174.94 177.57 3hj3 n LYS 516 N 4.74 1.86 -3.50 2.79 4.76 -1.26 -4.95 118.16 122.60 3hj3 n LYS 516 Ca -0.12 0.68 -0.19 0.00 -2.87 0.00 0.00 58.31 55.81 3hj3 n LYS 516 Cb 0.45 -2.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.04 3hj3 n LYS 516 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3hj3 s MET 517 N 3.73 0.18 0.28 1.97 -1.94 -1.26 -4.95 119.30 117.30 3hj3 s MET 517 Ca 0.94 0.16 -0.29 0.00 -1.71 0.00 0.00 55.69 54.79 3hj3 s MET 517 Cb -0.81 -1.28 -0.09 0.00 2.01 0.00 0.00 34.83 34.66 3hj3 s MET 517 CO 0.55 -0.66 0.99 -0.51 -0.01 0.00 0.00 175.02 175.38 3hj3 s ASP 518 N 2.30 7.43 -0.49 3.03 1.01 -1.26 -5.00 116.67 123.69 3hj3 s ASP 518 Ca 0.06 2.02 -0.24 0.00 0.71 0.00 0.00 52.55 55.10 3hj3 s ASP 518 Cb -0.16 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.20 3hj3 s ASP 518 CO -0.12 -0.01 0.89 -0.32 0.21 0.00 0.00 175.17 175.82 3hj3 s MET 519 N -1.50 3.43 0.05 8.23 -2.45 -1.26 -5.01 119.30 120.80 3hj3 s MET 519 Ca 0.45 -0.06 -0.36 0.00 -1.25 0.00 0.00 55.69 54.47 3hj3 s MET 519 Cb -0.26 -3.97 -0.15 0.00 1.25 0.00 0.00 34.83 31.69 3hj3 s MET 519 CO 0.33 -1.28 1.50 0.00 1.05 0.00 0.00 175.02 176.61 3hj3 n ALA 520 N 7.13 -0.04 1.90 4.11 0.00 -1.26 -5.16 120.51 127.19 3hj3 n ALA 520 Ca 0.04 0.46 0.16 0.00 0.00 0.00 0.00 53.44 54.10 3hj3 n ALA 520 Cb 0.48 -2.21 0.87 0.00 0.00 0.00 0.00 19.45 18.59 3hj3 n ALA 520 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78