#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyj s VAL 2 N 0.00 4.12 0.09 1.12 0.11 -1.26 -4.84 120.40 119.73 3hyj s VAL 2 Ca 0.00 -0.28 -0.24 0.00 -2.93 0.00 0.00 61.98 58.53 3hyj s VAL 2 Cb 0.00 -2.82 -0.06 0.00 -1.53 0.00 0.00 36.38 31.97 3hyj s VAL 2 CO 0.00 0.49 0.74 -0.55 -3.33 0.00 0.00 175.10 172.44 3hyj s SER 3 N 0.33 7.24 0.00 3.54 0.15 0.17 -4.95 113.70 120.19 3hyj s SER 3 Ca -0.02 1.47 0.24 0.00 0.70 0.00 0.00 55.95 58.34 3hyj s SER 3 Cb -0.14 -2.46 0.21 0.00 -1.71 0.00 0.00 66.02 61.92 3hyj s SER 3 CO 0.02 0.12 1.22 0.18 1.20 0.00 0.00 173.24 175.98 3hyj n LEU 4 N 2.28 1.76 -4.67 3.45 4.77 -1.26 -2.59 117.00 120.73 3hyj n LEU 4 Ca -0.05 -0.62 -0.37 0.00 -0.03 0.00 0.00 56.01 54.94 3hyj n LEU 4 Cb 0.50 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3hyj n LEU 4 CO 0.46 0.33 -0.01 -0.22 -1.33 0.00 0.00 177.39 176.62 3hyj s LEU 5 N -2.48 4.15 -0.23 2.23 2.96 -1.26 -4.69 118.68 119.36 3hyj s LEU 5 Ca 0.20 0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 3hyj s LEU 5 Cb 0.18 -2.36 0.07 0.00 0.50 0.00 0.00 46.19 44.59 3hyj s LEU 5 CO 0.56 -0.01 0.06 -0.60 -1.32 0.00 0.00 176.35 175.04 3hyj s ARG 6 N 1.13 0.63 -0.45 1.98 3.00 -1.26 -4.94 118.95 119.04 3hyj s ARG 6 Ca 0.15 -0.61 -0.17 0.00 -1.00 0.00 0.00 55.73 54.10 3hyj s ARG 6 Cb -0.14 -1.99 0.04 0.00 0.00 0.00 0.00 34.95 32.86 3hyj s ARG 6 CO 0.06 -0.77 0.47 -0.98 0.00 0.00 0.00 175.30 174.08 3hyj s ARG 7 N 1.82 3.08 0.15 5.12 3.03 -1.26 -4.73 118.95 126.16 3hyj s ARG 7 Ca 0.03 -0.89 -0.13 0.00 2.03 0.00 0.00 55.73 56.76 3hyj s ARG 7 Cb -0.17 -4.03 0.01 0.00 -1.03 0.00 0.00 34.95 29.74 3hyj s ARG 7 CO -0.15 -0.97 0.37 0.95 -1.13 0.00 0.00 175.30 174.37 3hyj s THR 8 N 2.16 0.07 0.14 4.99 -4.23 -1.26 -5.00 115.64 112.50 3hyj s THR 8 Ca 0.11 -0.98 -0.18 0.00 -1.18 0.00 0.00 61.69 59.46 3hyj s THR 8 Cb -0.19 -1.53 -0.01 0.00 1.34 0.00 0.00 72.50 72.11 3hyj s THR 8 CO 0.12 -0.30 1.73 0.15 -0.54 0.00 0.00 174.62 175.78 3hyj h PHE 9 N 2.42 0.05 -0.37 3.99 3.57 -1.94 -1.26 116.94 123.40 3hyj h PHE 9 Ca -0.32 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.27 3hyj h PHE 9 Cb 1.24 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.93 3hyj h PHE 9 CO 0.37 -0.00 -0.08 0.77 -2.23 0.00 0.00 178.31 177.14 3hyj h SER 10 N 0.12 -0.32 -0.52 0.41 0.02 -1.94 -1.83 113.55 109.49 3hyj h SER 10 Ca 0.12 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3hyj h SER 10 Cb 0.14 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3hyj h SER 10 CO -0.18 -0.11 -0.08 -0.33 -1.14 0.00 0.00 176.83 174.99 3hyj h GLU 11 N 0.01 0.99 -0.54 3.45 4.39 -1.70 -1.45 114.58 119.74 3hyj h GLU 11 Ca 0.18 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3hyj h GLU 11 Cb 0.27 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3hyj h GLU 11 CO -0.37 1.03 0.28 1.49 -1.16 0.00 0.00 179.01 180.27 3hyj h GLU 12 N 0.89 0.76 -0.08 2.33 4.57 -1.02 0.51 114.58 122.53 3hyj h GLU 12 Ca 0.14 -0.10 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 3hyj h GLU 12 Cb 0.63 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 3hyj h GLU 12 CO 0.04 0.60 -0.21 0.82 -1.18 0.00 0.00 179.01 179.09 3hyj h ILE 13 N 0.72 0.50 0.00 2.32 1.08 -1.22 -2.61 117.51 118.29 3hyj h ILE 13 Ca 0.19 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.63 3hyj h ILE 13 Cb 0.08 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3hyj h ILE 13 CO -0.03 0.00 -0.11 0.11 -0.69 0.00 0.00 178.15 177.43 3hyj h LYS 14 N -0.28 0.00 -0.24 2.37 1.57 -0.77 -2.84 116.57 116.38 3hyj h LYS 14 Ca 0.08 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3hyj h LYS 14 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3hyj h LYS 14 CO -0.25 0.11 0.03 1.49 -0.57 0.00 0.00 179.45 180.26 3hyj h GLU 15 N 0.00 0.11 -0.92 3.15 4.57 -0.51 -1.75 114.58 119.23 3hyj h GLU 15 Ca -0.00 -0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 3hyj h GLU 15 Cb 0.29 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.77 3hyj h GLU 15 CO 0.01 0.08 0.54 1.49 -1.18 0.00 0.00 179.01 179.94 3hyj h GLU 16 N 0.12 0.76 0.00 1.92 4.81 -1.51 -2.09 114.58 118.58 3hyj h GLU 16 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hyj h GLU 16 Cb 0.13 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3hyj h GLU 16 CO -0.17 0.50 0.00 1.28 -0.73 0.00 0.00 179.01 179.90 3hyj n LEU 17 N -4.76 0.23 -0.31 1.64 4.77 -0.67 -3.38 117.00 114.51 3hyj n LEU 17 Ca 0.19 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.69 3hyj n LEU 17 Cb 0.42 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.12 3hyj n LEU 17 CO 0.24 -0.26 1.22 0.58 -1.33 0.00 0.00 177.39 177.83 3hyj h VAL 18 N 0.00 1.14 -0.03 4.08 2.07 -1.28 -3.09 116.25 119.15 3hyj h VAL 18 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hyj h VAL 18 Cb 0.37 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3hyj h VAL 18 CO 0.00 0.20 -0.03 0.59 0.02 0.00 0.00 177.57 178.35 3hyj n ASN 19 N -4.54 2.80 -4.63 0.57 3.02 -1.22 -4.86 115.26 106.40 3hyj n ASN 19 Ca 0.11 -1.92 -0.61 0.00 -0.03 0.00 0.00 54.58 52.12 3hyj n ASN 19 Cb 0.08 0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 3hyj n ASN 19 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hyj n VAL 20 N 1.16 0.05 -2.76 2.41 0.31 -1.17 -4.80 118.33 113.53 3hyj n VAL 20 Ca 0.14 -0.01 -0.34 0.00 -0.01 0.00 0.00 64.34 64.13 3hyj n VAL 20 Cb 0.57 -0.48 -0.06 0.00 -0.91 0.00 0.00 33.84 32.96 3hyj n VAL 20 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hyj s PRO 21 N 1.65 4.19 0.05 5.55 0.02 -1.26 -4.96 135.00 140.26 3hyj s PRO 21 Ca 0.96 1.20 -0.36 0.00 0.02 0.00 0.00 61.00 62.82 3hyj s PRO 21 Cb -1.27 -2.24 -0.20 0.00 0.02 0.00 0.00 34.50 30.80 3hyj s PRO 21 CO 0.65 -0.07 1.52 0.74 -0.33 0.00 0.00 177.00 179.51 3hyj h PHE 22 N 2.01 -1.19 0.00 6.54 0.04 -1.97 -3.50 116.94 118.87 3hyj h PHE 22 Ca -0.49 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.25 3hyj h PHE 22 Cb 1.19 0.39 0.00 0.00 2.20 0.00 0.00 35.95 39.73 3hyj h PHE 22 CO 0.61 -0.74 0.00 0.41 -0.60 0.00 0.00 178.31 177.99 3hyj n GLY 23 N -1.53 -1.85 3.73 -1.45 0.00 -1.26 -4.60 105.19 98.22 3hyj n GLY 23 Ca -0.16 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 3hyj n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hyj s SER 24 N -4.00 3.96 0.29 1.61 1.04 -1.26 -4.81 113.70 110.53 3hyj s SER 24 Ca 0.00 2.05 0.04 0.00 0.48 0.00 0.00 55.95 58.51 3hyj s SER 24 Cb 0.00 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 64.27 3hyj s SER 24 CO 0.00 -2.41 1.73 -0.09 0.98 0.00 0.00 173.24 173.46 3hyj h ARG 25 N -1.15 0.53 -0.25 4.02 2.43 -1.99 -0.89 114.38 117.08 3hyj h ARG 25 Ca -0.44 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.56 3hyj h ARG 25 Cb 1.25 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3hyj h ARG 25 CO 0.48 0.35 -0.40 0.93 -1.51 0.00 0.00 179.97 179.82 3hyj h GLU 26 N 0.54 0.57 -0.58 0.20 3.07 -1.99 0.40 114.58 116.80 3hyj h GLU 26 Ca 0.55 -0.29 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 3hyj h GLU 26 Cb 0.95 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3hyj h GLU 26 CO -0.45 0.87 0.13 0.93 -1.40 0.00 0.00 179.01 179.09 3hyj h GLU 27 N 0.47 0.94 -0.46 2.33 5.08 -1.71 -1.15 114.58 120.09 3hyj h GLU 27 Ca 0.04 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3hyj h GLU 27 Cb 0.90 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3hyj h GLU 27 CO 0.08 0.88 0.12 0.28 -1.00 0.00 0.00 179.01 179.37 3hyj h VAL 28 N 0.85 1.23 -0.53 3.13 2.07 -0.68 -1.43 116.25 120.89 3hyj h VAL 28 Ca 0.18 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3hyj h VAL 28 Cb 0.37 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3hyj h VAL 28 CO 0.00 0.28 0.29 0.40 0.02 0.00 0.00 177.57 178.57 3hyj h ILE 29 N 0.61 0.99 -0.87 4.57 5.03 -0.82 -2.39 117.51 124.63 3hyj h ILE 29 Ca 0.15 -0.19 0.06 0.00 -0.12 0.00 0.00 64.86 64.75 3hyj h ILE 29 Cb 0.31 0.38 -0.06 0.00 -3.03 0.00 0.00 36.82 34.41 3hyj h ILE 29 CO -0.00 0.10 0.54 0.28 -0.68 0.00 0.00 178.15 178.39 3hyj h SER 30 N 0.57 0.86 -0.03 1.72 0.02 -0.75 -1.05 113.55 114.88 3hyj h SER 30 Ca 0.23 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3hyj h SER 30 Cb 0.10 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 3hyj h SER 30 CO -0.14 0.56 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.52 3hyj h GLU 31 N 1.00 -0.37 -0.81 3.45 4.39 -0.93 -2.65 114.58 118.66 3hyj h GLU 31 Ca 0.37 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.18 3hyj h GLU 31 Cb 0.15 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 3hyj h GLU 31 CO -0.16 -0.24 0.53 1.25 -1.16 0.00 0.00 179.01 179.22 3hyj h LEU 32 N -0.38 0.72 -0.94 1.33 5.85 -0.87 -0.30 115.31 120.73 3hyj h LEU 32 Ca 0.07 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3hyj h LEU 32 Cb 0.48 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3hyj h LEU 32 CO -0.25 0.44 0.01 0.25 -0.34 0.00 0.00 178.44 178.55 3hyj h LEU 33 N 0.80 0.75 -0.66 2.25 5.85 -0.99 0.17 115.31 123.48 3hyj h LEU 33 Ca 0.37 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3hyj h LEU 33 Cb 0.38 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3hyj h LEU 33 CO -0.14 0.81 0.11 1.23 -0.34 0.00 0.00 178.44 180.11 3hyj h GLY 34 N 0.97 1.17 0.90 3.75 0.00 -0.76 0.11 103.07 109.21 3hyj h GLY 34 Ca 0.15 -0.78 0.02 0.00 0.00 0.00 0.00 47.33 46.72 3hyj h GLY 34 CO 0.02 0.72 0.24 0.74 0.00 0.00 0.00 176.54 178.26 3hyj h PHE 35 N 1.00 0.45 0.04 5.60 0.04 -0.39 -2.04 116.94 121.64 3hyj h PHE 35 Ca 0.20 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 3hyj h PHE 35 Cb 0.43 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.44 3hyj h PHE 35 CO 0.03 0.26 -0.02 0.82 -0.60 0.00 0.00 178.31 178.80 3hyj h ILE 36 N 0.48 0.98 -0.14 -0.55 2.04 -0.37 -2.05 117.51 117.90 3hyj h ILE 36 Ca 0.16 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 3hyj h ILE 36 Cb 0.01 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3hyj h ILE 36 CO -0.08 0.02 -0.42 0.11 0.00 0.00 0.00 178.15 177.78 3hyj h LYS 37 N -0.08 0.33 0.09 2.37 1.79 -0.71 0.18 116.57 120.54 3hyj h LYS 37 Ca -0.01 -0.17 -0.26 0.00 -2.18 0.00 0.00 60.65 58.04 3hyj h LYS 37 Cb 0.07 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3hyj h LYS 37 CO 0.01 0.70 -1.07 0.00 -1.08 0.00 0.00 179.45 178.01 3hyj h ALA 38 N 1.28 0.01 0.00 3.86 0.00 -1.39 -3.39 119.26 119.64 3hyj h ALA 38 Ca 0.02 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 3hyj h ALA 38 Cb 0.86 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 3hyj h ALA 38 CO 0.07 0.60 -0.44 0.54 0.00 0.00 0.00 179.25 180.01 3hyj n ARG 39 N -3.91 0.00 -3.76 0.00 5.12 -0.78 -4.64 116.66 108.71 3hyj n ARG 39 Ca -0.13 -0.97 -0.38 0.00 -1.93 0.00 0.00 57.85 54.45 3hyj n ARG 39 Cb 0.91 -0.01 -0.12 0.00 -1.16 0.00 0.00 32.46 32.07 3hyj n ARG 39 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3hyj s GLY 40 N -0.97 1.86 -0.31 -0.13 0.00 0.63 -2.78 107.32 105.62 3hyj s GLY 40 Ca 0.08 -1.85 -0.20 0.00 0.00 0.00 0.00 44.72 42.75 3hyj s GLY 40 CO -0.04 0.80 0.60 -0.35 0.00 0.00 0.00 173.10 174.11 3hyj s ASP 41 N 1.50 6.46 0.00 1.64 -1.08 0.14 -4.81 116.67 120.52 3hyj s ASP 41 Ca -0.01 0.36 0.18 0.00 -0.52 0.00 0.00 52.55 52.56 3hyj s ASP 41 Cb -0.20 -2.32 0.49 0.00 -1.46 0.00 0.00 42.92 39.43 3hyj s ASP 41 CO 0.02 -0.46 1.40 0.00 0.52 0.00 0.00 175.17 176.65 3hyj n LEU 42 N 5.83 3.48 -0.05 -1.34 -0.00 -1.26 -1.61 117.00 122.05 3hyj n LEU 42 Ca -0.02 -1.92 -0.06 0.00 -0.00 0.00 0.00 56.01 54.01 3hyj n LEU 42 Cb 0.49 -0.36 -0.07 0.00 -0.00 0.00 0.00 43.42 43.48 3hyj n LEU 42 CO 0.45 0.86 -0.84 -0.90 -0.00 0.00 0.00 177.39 176.96 3hyj n ASP 43 N 1.19 2.82 -0.06 1.45 5.75 -1.26 -4.65 116.55 121.78 3hyj n ASP 43 Ca 0.19 -0.03 0.03 0.00 -0.01 0.00 0.00 54.79 54.97 3hyj n ASP 43 Cb 0.54 0.37 0.37 0.00 -1.03 0.00 0.00 41.12 41.37 3hyj n ASP 43 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 3hyj h VAL 44 N 0.00 1.13 -3.24 2.12 -1.51 -1.90 -3.38 116.25 109.47 3hyj h VAL 44 Ca -0.26 -0.24 -0.51 0.00 -1.23 0.00 0.00 66.70 64.46 3hyj h VAL 44 Cb 1.52 0.38 -0.40 0.00 -2.13 0.00 0.00 31.29 30.66 3hyj h VAL 44 CO -0.01 0.13 -0.76 -0.75 -1.23 0.00 0.00 177.57 174.95 3hyj s LYS 45 N -5.60 0.58 0.07 5.19 2.20 -1.26 -5.11 119.74 115.81 3hyj s LYS 45 Ca -0.09 -0.42 -0.34 0.00 -0.36 0.00 0.00 55.97 54.77 3hyj s LYS 45 Cb 0.18 -2.06 -0.13 0.00 -1.51 0.00 0.00 37.83 34.30 3hyj s LYS 45 CO 0.75 -0.67 1.70 -1.13 -0.36 0.00 0.00 175.35 175.64 3hyj n SER 46 N 5.07 3.27 -1.47 1.43 3.41 -1.26 -0.79 113.62 123.27 3hyj n SER 46 Ca -0.08 1.04 -0.15 0.00 -0.26 0.00 0.00 58.87 59.42 3hyj n SER 46 Cb 0.47 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 3hyj n SER 46 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hyj n ARG 47 N 4.73 -1.12 -3.98 4.33 0.63 -1.26 -5.01 116.66 114.98 3hyj n ARG 47 Ca 0.19 0.83 -0.08 0.00 -0.92 0.00 0.00 57.85 57.87 3hyj n ARG 47 Cb 0.29 -5.08 -0.08 0.00 0.45 0.00 0.00 32.46 28.04 3hyj n ARG 47 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3hyj s HIS 48 N -2.66 0.39 -0.00 -0.14 3.76 0.03 -2.76 115.29 113.90 3hyj s HIS 48 Ca 0.00 -0.85 0.07 0.00 -0.15 0.00 0.00 55.06 54.13 3hyj s HIS 48 Cb 0.00 -0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.45 3hyj s HIS 48 CO 0.00 -0.51 -0.21 -1.50 -0.85 0.00 0.00 174.74 171.67 3hyj s ILE 49 N -3.92 1.68 -0.15 0.60 2.07 0.46 -4.48 121.20 117.47 3hyj s ILE 49 Ca 0.09 -0.98 0.02 0.00 -1.41 0.00 0.00 60.65 58.37 3hyj s ILE 49 Cb 0.06 -1.41 0.01 0.00 0.13 0.00 0.00 42.46 41.25 3hyj s ILE 49 CO -0.08 0.41 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.46 3hyj s VAL 50 N -0.57 2.02 -0.17 4.00 1.01 -0.63 -1.74 120.40 124.32 3hyj s VAL 50 Ca 0.08 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 3hyj s VAL 50 Cb -0.08 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3hyj s VAL 50 CO -0.00 0.54 0.01 -0.36 0.00 0.00 0.00 175.10 175.29 3hyj s PHE 51 N 1.00 3.13 -0.24 5.22 0.08 -0.08 0.24 117.98 127.34 3hyj s PHE 51 Ca -0.03 -0.13 -0.05 0.00 0.12 0.00 0.00 56.93 56.85 3hyj s PHE 51 Cb -0.15 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3hyj s PHE 51 CO -0.06 0.05 0.00 -1.12 -0.10 0.00 0.00 175.22 173.99 3hyj s SER 52 N 0.39 4.63 -0.06 1.36 0.01 -1.12 -0.96 113.70 117.95 3hyj s SER 52 Ca -0.00 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.87 3hyj s SER 52 Cb -0.13 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.30 3hyj s SER 52 CO 0.02 -0.06 -0.20 -0.76 0.41 0.00 0.00 173.24 172.65 3hyj s LEU 53 N 1.50 1.95 0.06 2.44 1.43 -0.74 -4.89 118.68 120.44 3hyj s LEU 53 Ca 0.05 -0.43 0.26 0.00 -1.03 0.00 0.00 54.13 52.99 3hyj s LEU 53 Cb -0.15 -1.14 0.78 0.00 0.03 0.00 0.00 46.19 45.71 3hyj s LEU 53 CO -0.01 0.16 1.64 1.41 0.23 0.00 0.00 176.35 179.78 3hyj n HIS 54 N 3.26 0.26 -3.76 0.29 8.25 -1.26 -0.54 115.22 121.72 3hyj n HIS 54 Ca -0.19 0.08 -0.37 0.00 -0.26 0.00 0.00 57.72 56.98 3hyj n HIS 54 Cb 0.53 -0.53 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 3hyj n HIS 54 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hyj s SER 55 N -3.49 5.10 0.19 0.41 0.15 -1.26 -4.90 113.70 109.90 3hyj s SER 55 Ca 0.11 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 3hyj s SER 55 Cb 0.16 -1.89 0.20 0.00 -1.71 0.00 0.00 66.02 62.78 3hyj s SER 55 CO 0.63 -0.14 1.75 0.15 1.20 0.00 0.00 173.24 176.83 3hyj h PHE 56 N 8.24 0.35 -0.24 3.44 3.57 -1.87 -2.07 116.94 128.35 3hyj h PHE 56 Ca -0.34 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.23 3hyj h PHE 56 Cb 1.14 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 3hyj h PHE 56 CO 0.63 0.11 -0.05 0.00 -2.23 0.00 0.00 178.31 176.77 3hyj h ALA 57 N 1.35 0.16 -0.84 2.41 0.00 -1.92 -1.39 119.26 119.04 3hyj h ALA 57 Ca 0.26 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.43 3hyj h ALA 57 Cb 0.28 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 3hyj h ALA 57 CO -0.25 -0.47 0.38 0.00 0.00 0.00 0.00 179.25 178.91 3hyj h ALA 58 N 1.24 1.27 -0.33 0.00 0.00 -1.73 -2.37 119.26 117.34 3hyj h ALA 58 Ca 0.11 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3hyj h ALA 58 Cb 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hyj h ALA 58 CO -0.24 -0.21 -0.36 0.66 0.00 0.00 0.00 179.25 179.09 3hyj h SER 59 N 0.50 0.80 -0.40 0.00 4.64 -0.59 -1.27 113.55 117.24 3hyj h SER 59 Ca 0.48 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3hyj h SER 59 Cb 0.79 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3hyj h SER 59 CO -0.43 1.08 0.06 0.03 -0.87 0.00 0.00 176.83 176.70 3hyj h ARG 60 N 0.63 0.75 -0.09 4.77 3.08 -0.89 -2.25 114.38 120.38 3hyj h ARG 60 Ca 0.06 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3hyj h ARG 60 Cb 0.91 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3hyj h ARG 60 CO 0.08 0.72 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.57 3hyj h ARG 61 N 0.71 0.18 -0.08 0.04 9.65 -1.13 -1.69 114.38 122.07 3hyj h ARG 61 Ca 0.15 -0.08 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 3hyj h ARG 61 Cb 0.35 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3hyj h ARG 61 CO 0.01 0.53 -0.07 1.25 2.80 0.00 0.00 179.97 184.49 3hyj h LEU 62 N -0.17 -0.21 -0.60 3.80 5.85 -1.02 0.51 115.31 123.46 3hyj h LEU 62 Ca 0.02 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.88 3hyj h LEU 62 Cb 0.47 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 3hyj h LEU 62 CO 0.01 -0.10 0.23 -0.07 -0.34 0.00 0.00 178.44 178.18 3hyj h LEU 63 N -0.08 0.24 -0.65 2.25 3.38 -1.44 0.11 115.31 119.12 3hyj h LEU 63 Ca 0.05 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3hyj h LEU 63 Cb 0.16 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hyj h LEU 63 CO -0.13 0.15 -0.12 0.78 0.09 0.00 0.00 178.44 179.21 3hyj h ASN 64 N 0.42 0.93 -0.48 -0.43 2.35 -0.24 -1.22 115.58 116.91 3hyj h ASN 64 Ca 0.30 -0.30 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3hyj h ASN 64 Cb 0.36 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.41 3hyj h ASN 64 CO -0.29 1.05 0.05 -0.07 -1.65 0.00 0.00 177.43 176.52 3hyj h LEU 65 N 0.83 -0.10 -0.91 1.61 4.07 0.56 -2.06 115.31 119.32 3hyj h LEU 65 Ca 0.13 0.10 -0.08 0.00 0.08 0.00 0.00 57.88 58.11 3hyj h LEU 65 Cb 0.66 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 3hyj h LEU 65 CO 0.05 -0.02 -0.05 0.24 -1.08 0.00 0.00 178.44 177.57 3hyj h MET 66 N 0.17 0.75 -0.28 1.13 2.86 -0.50 -2.28 114.93 116.79 3hyj h MET 66 Ca 0.24 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3hyj h MET 66 Cb 0.34 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3hyj h MET 66 CO -0.36 0.79 0.06 0.87 1.06 0.00 0.00 176.91 179.33 3hyj h LYS 67 N 0.69 0.16 -0.70 1.72 1.57 -1.05 0.19 116.57 119.15 3hyj h LYS 67 Ca 0.13 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3hyj h LYS 67 Cb 0.50 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 3hyj h LYS 67 CO 0.03 0.10 0.38 -0.92 -0.57 0.00 0.00 179.45 178.48 3hyj h TYR 68 N 0.16 0.70 -0.01 -1.35 3.20 -0.81 -0.15 116.97 118.71 3hyj h TYR 68 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3hyj h TYR 68 Cb 0.13 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3hyj h TYR 68 CO -0.16 0.31 0.00 1.28 -1.64 0.00 0.00 178.16 177.95 3hyj n LEU 69 N -4.79 0.68 -3.82 2.82 4.77 -1.00 -4.91 117.00 110.75 3hyj n LEU 69 Ca 0.10 -0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.61 3hyj n LEU 69 Cb 0.21 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3hyj n LEU 69 CO 0.28 0.12 -0.11 -1.20 -1.33 0.00 0.00 177.39 175.14 3hyj n SER 70 N -0.46 -1.15 -4.27 -1.43 7.64 -0.07 -4.98 113.62 108.89 3hyj n SER 70 Ca 0.21 -0.89 -0.34 0.00 1.01 0.00 0.00 58.87 58.87 3hyj n SER 70 Cb 0.22 -3.66 -0.15 0.00 -1.01 0.00 0.00 64.21 59.61 3hyj n SER 70 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hyj s LYS 71 N -6.25 3.28 0.06 1.43 1.02 0.53 -5.02 119.74 114.79 3hyj s LYS 71 Ca 0.07 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 3hyj s LYS 71 Cb -0.03 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 3hyj s LYS 71 CO 0.84 -0.10 1.12 -1.25 -0.92 0.00 0.00 175.35 175.04 3hyj s PRO 72 N 1.16 4.49 0.52 -1.68 0.04 -1.26 -4.48 135.00 133.79 3hyj s PRO 72 Ca 0.01 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 3hyj s PRO 72 Cb -0.14 -3.37 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 3hyj s PRO 72 CO -0.03 -0.15 1.06 0.08 0.04 0.00 0.00 177.00 178.00 3hyj s VAL 73 N 0.87 3.63 -0.03 -0.36 1.01 -1.26 -4.37 120.40 119.89 3hyj s VAL 73 Ca 0.55 0.97 0.08 0.00 0.00 0.00 0.00 61.98 63.58 3hyj s VAL 73 Cb -0.27 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 3hyj s VAL 73 CO 0.29 -0.27 0.13 -1.54 0.00 0.00 0.00 175.10 173.71 3hyj n SER 74 N -1.26 3.18 -3.65 3.32 3.41 0.09 -4.98 113.62 113.73 3hyj n SER 74 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.56 3hyj n SER 74 Cb 0.52 1.15 -0.08 0.00 -0.26 0.00 0.00 64.21 65.54 3hyj n SER 74 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hyj s GLU 75 N -2.44 0.75 -0.10 4.33 2.56 -1.10 -4.97 118.70 117.74 3hyj s GLU 75 Ca -0.03 0.67 -0.00 0.00 0.00 0.00 0.00 54.97 55.61 3hyj s GLU 75 Cb 0.04 0.36 0.02 0.00 2.00 0.00 0.00 34.13 36.56 3hyj s GLU 75 CO 0.32 -0.13 -0.05 0.42 -0.56 0.00 0.00 175.26 175.26 3hyj s ILE 76 N -0.03 0.82 -0.03 -3.70 1.01 -1.26 -0.55 121.20 117.47 3hyj s ILE 76 Ca -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3hyj s ILE 76 Cb -0.04 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.58 3hyj s ILE 76 CO 0.02 0.33 -0.05 -0.63 0.00 0.00 0.00 174.94 174.62 3hyj s ILE 77 N 1.69 0.51 -0.17 2.92 1.01 -0.51 -4.99 121.20 121.65 3hyj s ILE 77 Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 3hyj s ILE 77 Cb -0.13 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 3hyj s ILE 77 CO -0.06 0.20 0.25 -0.69 0.00 0.00 0.00 174.94 174.64 3hyj s VAL 78 N 0.65 5.33 -0.25 2.92 1.01 -1.26 -0.28 120.40 128.52 3hyj s VAL 78 Ca -0.08 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 3hyj s VAL 78 Cb -0.12 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.71 3hyj s VAL 78 CO 0.00 0.40 -0.08 -1.61 0.00 0.00 0.00 175.10 173.81 3hyj s GLU 79 N 0.49 2.62 0.02 2.72 2.02 -0.44 -5.00 118.70 121.13 3hyj s GLU 79 Ca 0.14 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 3hyj s GLU 79 Cb -0.12 -2.96 -0.07 0.00 0.10 0.00 0.00 34.13 31.08 3hyj s GLU 79 CO 0.02 -0.47 1.56 -1.59 0.02 0.00 0.00 175.26 174.81 3hyj s LYS 80 N 1.25 4.22 0.07 1.61 0.00 -1.26 -1.05 119.74 124.58 3hyj s LYS 80 Ca -0.03 2.17 -0.01 0.00 0.00 0.00 0.00 55.97 58.10 3hyj s LYS 80 Cb -0.18 -3.66 0.02 0.00 0.00 0.00 0.00 37.83 34.01 3hyj s LYS 80 CO -0.05 -0.70 0.07 -1.13 0.00 0.00 0.00 175.35 173.54 3hyj n SER 81 N 5.80 -0.75 -0.19 0.03 3.41 -1.17 -4.65 113.62 116.09 3hyj n SER 81 Ca 0.15 -0.68 -0.07 0.00 -0.26 0.00 0.00 58.87 58.01 3hyj n SER 81 Cb 0.42 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 3hyj n SER 81 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3hyj h HIS 82 N -1.42 -1.06 -3.77 7.33 2.07 -1.96 -3.44 115.15 112.91 3hyj h HIS 82 Ca -0.02 0.07 -0.44 0.00 -2.85 0.00 0.00 60.37 57.13 3hyj h HIS 82 Cb 0.07 0.54 0.17 0.00 2.57 0.00 0.00 27.41 30.77 3hyj h HIS 82 CO 0.00 -0.40 0.19 0.54 -3.07 0.00 0.00 177.93 175.19 3hyj s ASN 83 N -5.15 2.02 0.51 3.10 4.22 -1.26 -4.98 114.94 113.40 3hyj s ASN 83 Ca -0.14 0.86 0.19 0.00 -2.14 0.00 0.00 52.86 51.63 3hyj s ASN 83 Cb 0.15 -1.31 1.30 0.00 1.28 0.00 0.00 41.25 42.67 3hyj s ASN 83 CO 0.68 -3.47 2.11 -0.29 -2.04 0.00 0.00 177.10 174.09 3hyj h ILE 84 N -2.13 0.92 -4.09 0.54 -0.00 -1.88 -3.43 117.51 107.44 3hyj h ILE 84 Ca -0.50 -0.23 -0.53 0.00 -0.00 0.00 0.00 64.86 63.60 3hyj h ILE 84 Cb 1.31 1.13 0.12 0.00 -0.00 0.00 0.00 36.82 39.38 3hyj h ILE 84 CO 0.48 0.06 0.49 -0.54 -0.00 0.00 0.00 178.15 178.64 3hyj s LYS 85 N -4.79 2.99 0.44 2.19 3.01 -1.26 -0.65 119.74 121.66 3hyj s LYS 85 Ca -0.04 1.88 -0.21 0.00 -1.01 0.00 0.00 55.97 56.59 3hyj s LYS 85 Cb 0.16 -1.98 -0.10 0.00 -1.01 0.00 0.00 37.83 34.90 3hyj s LYS 85 CO 0.65 -1.21 0.97 -1.59 0.51 0.00 0.00 175.35 174.69 3hyj s LYS 86 N -3.26 4.14 -0.08 1.68 0.00 -1.07 -3.06 119.74 118.10 3hyj s LYS 86 Ca 0.77 1.20 -0.01 0.00 0.00 0.00 0.00 55.97 57.92 3hyj s LYS 86 Cb -0.32 -2.20 -0.00 0.00 0.00 0.00 0.00 37.83 35.31 3hyj s LYS 86 CO 0.35 -0.11 -0.02 0.07 0.00 0.00 0.00 175.35 175.64 3hyj h ARG 87 N 1.90 0.00 -5.14 1.78 -0.00 -1.36 -3.42 114.38 108.14 3hyj h ARG 87 Ca -0.49 0.00 -0.37 0.00 -0.00 0.00 0.00 59.98 59.12 3hyj h ARG 87 Cb 1.19 0.00 -0.20 0.00 -0.00 0.00 0.00 29.97 30.96 3hyj h ARG 87 CO 0.61 0.00 -0.76 0.71 -0.00 0.00 0.00 179.97 180.53 3hyj s TYR 88 N -1.47 1.13 -0.30 4.08 1.51 -1.11 -4.45 117.35 116.74 3hyj s TYR 88 Ca -0.01 -0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 55.45 3hyj s TYR 88 Cb 0.00 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3hyj s TYR 88 CO 0.02 0.04 0.06 0.42 -1.11 0.00 0.00 175.55 174.98 3hyj s ILE 89 N -1.77 3.71 -0.43 2.71 1.01 0.30 -1.33 121.20 125.41 3hyj s ILE 89 Ca 0.01 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 3hyj s ILE 89 Cb -0.07 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.45 3hyj s ILE 89 CO 0.01 0.02 0.58 -0.54 0.00 0.00 0.00 174.94 175.02 3hyj s LYS 90 N 1.44 3.27 -0.22 2.79 3.01 0.62 -1.78 119.74 128.86 3hyj s LYS 90 Ca 0.01 -0.44 -0.07 0.00 -1.01 0.00 0.00 55.97 54.45 3hyj s LYS 90 Cb -0.18 -3.94 -0.03 0.00 -1.01 0.00 0.00 37.83 32.67 3hyj s LYS 90 CO 0.01 -0.94 0.06 0.42 0.51 0.00 0.00 175.35 175.41 3hyj s ILE 91 N 2.62 4.44 -0.04 2.17 1.01 -0.13 -1.43 121.20 129.85 3hyj s ILE 91 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3hyj s ILE 91 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3hyj s ILE 91 CO 0.17 0.39 -0.05 -0.89 0.00 0.00 0.00 174.94 174.57 3hyj s THR 92 N 1.06 3.85 -0.07 2.92 2.01 0.29 -0.90 115.64 124.81 3hyj s THR 92 Ca 0.04 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 3hyj s THR 92 Cb -0.14 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.77 3hyj s THR 92 CO 0.03 0.50 0.38 0.00 -0.69 0.00 0.00 174.62 174.84 3hyj s ALA 93 N -0.93 -0.97 0.85 7.40 0.00 -0.71 -0.73 121.76 126.67 3hyj s ALA 93 Ca 0.15 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 3hyj s ALA 93 Cb -0.11 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 22.91 3hyj s ALA 93 CO 0.05 -0.25 1.06 0.39 0.00 0.00 0.00 175.76 177.01 3hyj n GLU 94 N 1.78 -0.03 -4.07 0.00 1.02 -1.26 -0.40 120.64 117.68 3hyj n GLU 94 Ca -0.18 0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 56.82 3hyj n GLU 94 Cb 0.56 -2.32 -0.17 0.00 -0.02 0.00 0.00 31.44 29.50 3hyj n GLU 94 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3hyj s TYR 95 N -2.27 0.74 0.05 -0.32 6.14 -1.11 -4.66 117.35 115.93 3hyj s TYR 95 Ca 0.69 -0.21 0.06 0.00 0.64 0.00 0.00 57.07 58.25 3hyj s TYR 95 Cb -0.27 -0.70 -0.02 0.00 0.42 0.00 0.00 41.96 41.38 3hyj s TYR 95 CO 0.55 -0.23 -0.16 -1.54 0.64 0.00 0.00 175.55 174.81 3hyj s SER 96 N 1.16 1.95 -0.80 4.32 1.04 -1.26 -4.76 113.70 115.35 3hyj s SER 96 Ca -0.07 -0.52 -0.08 0.00 0.48 0.00 0.00 55.95 55.76 3hyj s SER 96 Cb -0.14 -0.13 -0.16 0.00 0.10 0.00 0.00 66.02 65.69 3hyj s SER 96 CO -0.01 0.05 3.11 -0.62 0.98 0.00 0.00 173.24 176.75 3hyj n GLU 97 N 1.71 2.71 -0.05 4.02 1.02 -1.26 -3.14 120.64 125.66 3hyj n GLU 97 Ca -0.18 -1.54 0.01 0.00 -0.02 0.00 0.00 57.16 55.43 3hyj n GLU 97 Cb 0.54 -2.38 -0.15 0.00 -0.02 0.00 0.00 31.44 29.43 3hyj n GLU 97 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3hyj n SER 98 N 3.14 0.47 0.14 1.62 3.41 -1.26 -4.55 113.62 116.60 3hyj n SER 98 Ca 0.58 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 59.20 3hyj n SER 98 Cb 0.52 1.48 0.16 0.00 -0.26 0.00 0.00 64.21 66.10 3hyj n SER 98 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3hyj h PHE 99 N 0.00 0.00 -2.35 7.33 -1.00 -1.96 -3.07 116.94 115.89 3hyj h PHE 99 Ca -0.23 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 59.91 3hyj h PHE 99 Cb 1.46 0.00 -0.39 0.00 3.61 0.00 0.00 35.95 40.63 3hyj h PHE 99 CO 0.00 0.56 -0.28 0.00 -1.61 0.00 0.00 178.31 176.99 3hyj n MET 100 N -3.50 3.02 -0.47 1.51 3.85 -1.26 -4.58 117.12 115.70 3hyj n MET 100 Ca 0.00 -4.66 0.08 0.00 -1.00 0.00 0.00 57.70 52.12 3hyj n MET 100 Cb 0.65 -2.32 0.27 0.00 -1.05 0.00 0.00 33.22 30.78 3hyj n MET 100 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 3hyj n VAL 101 N 0.89 2.27 -4.12 3.17 0.24 -1.16 -4.96 118.33 114.66 3hyj n VAL 101 Ca 0.29 -1.81 -0.21 0.00 -2.04 0.00 0.00 64.34 60.58 3hyj n VAL 101 Cb 0.39 -0.22 -0.16 0.00 -1.47 0.00 0.00 33.84 32.37 3hyj n VAL 101 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 3hyj s ILE 102 N -2.74 0.54 -0.32 1.34 2.07 -1.26 -5.11 121.20 115.72 3hyj s ILE 102 Ca 0.42 -0.10 -0.09 0.00 -1.41 0.00 0.00 60.65 59.47 3hyj s ILE 102 Cb 0.34 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.35 3hyj s ILE 102 CO 0.10 0.24 0.14 -1.83 -1.91 0.00 0.00 174.94 171.67 3hyj s GLU 103 N 1.06 3.18 -0.25 3.50 4.04 -1.26 -5.00 118.70 123.96 3hyj s GLU 103 Ca -0.09 -0.82 0.12 0.00 0.04 0.00 0.00 54.97 54.22 3hyj s GLU 103 Cb -0.14 -3.53 0.77 0.00 0.02 0.00 0.00 34.13 31.25 3hyj s GLU 103 CO -0.01 -0.47 1.72 -0.35 -1.84 0.00 0.00 175.26 174.32 3hyj n PRO 104 N 4.95 4.43 0.01 -4.83 -0.04 -1.26 -4.45 135.00 133.79 3hyj n PRO 104 Ca -0.14 -3.01 0.11 0.00 -0.04 0.00 0.00 63.50 60.42 3hyj n PRO 104 Cb 0.48 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.62 3hyj n PRO 104 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hyj n PHE 105 N 0.38 0.09 0.57 0.54 3.72 -1.26 -2.27 117.46 119.24 3hyj n PHE 105 Ca 0.31 0.03 0.07 0.00 -0.05 0.00 0.00 57.45 57.80 3hyj n PHE 105 Cb 1.22 -0.32 0.04 0.00 -0.94 0.00 0.00 39.48 39.49 3hyj n PHE 105 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3hyj n PHE 106 N -1.92 0.00 -4.00 1.38 3.72 -1.26 -4.82 117.46 110.57 3hyj n PHE 106 Ca 0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 3hyj n PHE 106 Cb 0.45 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.83 3hyj n PHE 106 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hyj s ASP 107 N -1.29 3.38 0.29 4.37 -1.08 -1.26 -5.02 116.67 116.06 3hyj s ASP 107 Ca 0.14 -0.88 0.03 0.00 -0.52 0.00 0.00 52.55 51.33 3hyj s ASP 107 Cb 0.11 -1.23 0.63 0.00 -1.46 0.00 0.00 42.92 40.97 3hyj s ASP 107 CO 0.22 -0.14 1.81 1.62 0.52 0.00 0.00 175.17 179.20 3hyj h VAL 108 N 6.38 0.83 -0.17 1.11 3.04 -1.89 -0.88 116.25 124.67 3hyj h VAL 108 Ca -0.28 -0.31 0.04 0.00 -1.01 0.00 0.00 66.70 65.14 3hyj h VAL 108 Cb 1.10 -0.15 -0.04 0.00 -2.01 0.00 0.00 31.29 30.18 3hyj h VAL 108 CO 0.48 0.17 -0.09 0.00 -1.01 0.00 0.00 177.57 177.11 3hyj h ALA 109 N 1.58 0.05 -0.23 3.17 0.00 -1.95 -1.06 119.26 120.83 3hyj h ALA 109 Ca 0.53 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.38 3hyj h ALA 109 Cb 0.66 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hyj h ALA 109 CO -0.31 -0.53 -0.40 -0.07 0.00 0.00 0.00 179.25 177.94 3hyj h LEU 110 N -0.08 0.57 -0.37 0.00 3.38 -1.66 -2.85 115.31 114.30 3hyj h LEU 110 Ca 0.10 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3hyj h LEU 110 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hyj h LEU 110 CO -0.22 0.91 0.00 0.15 0.09 0.00 0.00 178.44 179.37 3hyj h PHE 111 N 0.44 0.71 -0.34 1.13 3.57 -0.74 0.27 116.94 121.99 3hyj h PHE 111 Ca 0.04 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.46 3hyj h PHE 111 Cb 0.90 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 3hyj h PHE 111 CO 0.03 0.74 0.10 0.28 -2.23 0.00 0.00 178.31 177.24 3hyj h VAL 112 N 0.47 0.88 -0.28 1.41 2.07 -1.21 0.36 116.25 119.95 3hyj h VAL 112 Ca 0.11 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3hyj h VAL 112 Cb 0.46 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3hyj h VAL 112 CO 0.02 0.04 0.07 0.28 0.02 0.00 0.00 177.57 178.00 3hyj h SER 113 N 0.24 0.05 -0.43 0.57 0.02 -1.24 -1.32 113.55 111.43 3hyj h SER 113 Ca 0.16 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3hyj h SER 113 Cb 0.14 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 3hyj h SER 113 CO -0.17 0.06 0.16 0.15 -1.14 0.00 0.00 176.83 175.89 3hyj h PHE 114 N 0.18 0.29 -0.91 3.45 3.57 0.42 -2.16 116.94 121.78 3hyj h PHE 114 Ca 0.13 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3hyj h PHE 114 Cb 0.12 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3hyj h PHE 114 CO -0.15 0.11 0.60 -0.07 -2.23 0.00 0.00 178.31 176.57 3hyj h LEU 115 N 0.33 1.01 -0.85 0.59 3.38 -0.02 -2.01 115.31 117.74 3hyj h LEU 115 Ca 0.20 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3hyj h LEU 115 Cb 0.17 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3hyj h LEU 115 CO -0.19 0.71 0.55 -0.09 0.09 0.00 0.00 178.44 179.50 3hyj h ARG 116 N 1.18 1.01 0.81 1.13 2.43 -0.63 0.10 114.38 120.42 3hyj h ARG 116 Ca 0.35 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3hyj h ARG 116 Cb -0.05 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.28 3hyj h ARG 116 CO -0.10 0.67 -0.39 0.78 -1.51 0.00 0.00 179.97 179.43 3hyj h GLY 117 N 1.04 -1.13 -0.69 2.80 0.00 -0.91 -1.49 103.07 102.69 3hyj h GLY 117 Ca 0.35 0.42 0.13 0.00 0.00 0.00 0.00 47.33 48.23 3hyj h GLY 117 CO -0.13 -0.41 -0.35 1.41 0.00 0.00 0.00 176.54 177.06 3hyj h LEU 118 N -1.18 -1.25 -0.45 3.11 4.07 -1.35 -1.14 115.31 117.12 3hyj h LEU 118 Ca -0.11 0.26 -0.06 0.00 0.08 0.00 0.00 57.88 58.06 3hyj h LEU 118 Cb 0.84 0.65 -0.02 0.00 1.08 0.00 0.00 40.66 43.21 3hyj h LEU 118 CO 0.18 -0.30 0.07 0.15 -1.08 0.00 0.00 178.44 177.46 3hyj h PHE 119 N -0.08 0.81 0.44 1.13 3.57 -0.86 0.18 116.94 122.13 3hyj h PHE 119 Ca 0.29 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3hyj h PHE 119 Cb 0.58 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3hyj h PHE 119 CO -0.74 0.76 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.80 3hyj h LEU 120 N 0.62 -0.55 -0.06 0.59 3.38 -0.91 0.16 115.31 118.55 3hyj h LEU 120 Ca 0.14 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.92 3hyj h LEU 120 Cb 0.40 0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3hyj h LEU 120 CO 0.01 -0.38 -0.78 0.77 0.09 0.00 0.00 178.44 178.15 3hyj h SER 121 N -0.62 0.78 0.00 -0.43 4.64 -1.10 -3.39 113.55 113.44 3hyj h SER 121 Ca -0.06 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 3hyj h SER 121 Cb 0.49 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3hyj h SER 121 CO 0.08 1.37 0.00 0.61 -0.87 0.00 0.00 176.83 178.02 3hyj n GLY 122 N 0.92 0.11 3.93 -0.77 0.00 0.61 -4.61 105.19 105.39 3hyj n GLY 122 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3hyj n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hyj s GLY 123 N -0.35 1.72 0.10 -0.02 0.00 0.58 -0.71 107.32 108.65 3hyj s GLY 123 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 44.72 43.61 3hyj s GLY 123 CO 0.00 -0.87 0.51 -1.35 0.00 0.00 0.00 173.10 171.39 3hyj s SER 124 N -3.26 -0.42 0.03 1.64 1.04 0.82 -4.87 113.70 108.68 3hyj s SER 124 Ca 0.37 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 3hyj s SER 124 Cb -0.11 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3hyj s SER 124 CO 0.29 -0.83 0.28 0.00 0.98 0.00 0.00 173.24 173.96 3hyj s MET 125 N -3.21 0.74 0.47 4.02 0.23 -1.26 -1.32 119.30 118.97 3hyj s MET 125 Ca -0.01 -0.46 -0.05 0.00 -1.03 0.00 0.00 55.69 54.14 3hyj s MET 125 Cb 0.00 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 3hyj s MET 125 CO -0.08 -0.23 0.77 -0.08 -2.03 0.00 0.00 175.02 173.38 3hyj s THR 126 N -2.24 4.92 -0.05 3.16 -1.32 -0.73 -4.01 115.64 115.37 3hyj s THR 126 Ca -0.07 0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 60.29 3hyj s THR 126 Cb -0.02 -3.86 -0.05 0.00 -1.51 0.00 0.00 72.50 67.06 3hyj s THR 126 CO -0.02 -0.81 1.58 0.21 -2.21 0.00 0.00 174.62 173.37 3hyj s ASN 127 N -4.05 6.72 0.14 8.08 3.84 -1.26 -4.74 114.94 123.67 3hyj s ASN 127 Ca 0.47 2.18 0.13 0.00 0.21 0.00 0.00 52.86 55.85 3hyj s ASN 127 Cb -0.10 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.69 3hyj s ASN 127 CO 0.44 -0.88 1.40 -2.65 -2.79 0.00 0.00 177.10 172.62 3hyj n PRO 128 N 6.75 0.07 0.28 0.43 -0.02 -1.24 -1.55 135.00 139.72 3hyj n PRO 128 Ca 0.16 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 3hyj n PRO 128 Cb 0.43 -1.70 0.79 0.00 -0.02 0.00 0.00 33.50 33.00 3hyj n PRO 128 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3hyj h ARG 129 N 0.00 0.00 0.00 -0.52 2.43 -1.99 -3.31 114.38 111.00 3hyj h ARG 129 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hyj h ARG 129 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3hyj h ARG 129 CO 0.00 0.09 -0.25 2.48 -1.51 0.00 0.00 179.97 180.77 3hyj n TYR 130 N -3.58 0.00 -3.64 2.20 0.18 -0.59 -5.10 117.16 106.62 3hyj n TYR 130 Ca -0.02 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.69 3hyj n TYR 130 Cb 0.21 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.10 3hyj n TYR 130 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 3hyj s HIS 131 N -1.03 -0.42 -0.41 -3.48 5.04 -0.95 -5.08 115.29 108.95 3hyj s HIS 131 Ca 0.00 0.98 -0.15 0.00 -1.54 0.00 0.00 55.06 54.35 3hyj s HIS 131 Cb 0.00 0.37 0.02 0.00 0.04 0.00 0.00 32.58 33.01 3hyj s HIS 131 CO 0.00 -0.20 0.31 0.71 -2.34 0.00 0.00 174.74 173.22 3hyj s TYR 132 N 0.40 3.23 -0.30 3.88 2.02 -1.26 -3.71 117.35 121.61 3hyj s TYR 132 Ca 0.02 -0.57 -0.09 0.00 -0.37 0.00 0.00 57.07 56.05 3hyj s TYR 132 Cb -0.05 -2.62 0.16 0.00 -0.40 0.00 0.00 41.96 39.05 3hyj s TYR 132 CO -0.09 -0.60 0.76 -1.58 -1.57 0.00 0.00 175.55 172.47 3hyj s HIS 133 N 1.72 -1.17 -0.02 2.71 2.46 -1.26 -4.65 115.29 115.08 3hyj s HIS 133 Ca 0.06 1.72 0.04 0.00 0.47 0.00 0.00 55.06 57.34 3hyj s HIS 133 Cb -0.19 0.59 -0.00 0.00 -0.13 0.00 0.00 32.58 32.84 3hyj s HIS 133 CO 0.10 -0.60 -0.13 -1.17 -2.47 0.00 0.00 174.74 170.47 3hyj s LEU 134 N 2.78 1.92 0.01 8.88 0.20 -0.13 -1.77 118.68 130.58 3hyj s LEU 134 Ca 0.02 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.60 3hyj s LEU 134 Cb -0.11 -0.74 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 3hyj s LEU 134 CO -0.18 0.13 -0.05 -1.61 -0.29 0.00 0.00 176.35 174.35 3hyj s GLU 135 N -0.07 0.40 -0.04 1.98 2.02 -0.44 -0.51 118.70 122.05 3hyj s GLU 135 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.62 3hyj s GLU 135 Cb -0.08 -0.28 0.02 0.00 0.10 0.00 0.00 34.13 33.89 3hyj s GLU 135 CO 0.01 0.07 -0.03 0.42 0.02 0.00 0.00 175.26 175.74 3hyj s ILE 136 N -0.61 0.46 -0.03 -1.63 1.01 -0.58 -0.13 121.20 119.69 3hyj s ILE 136 Ca -0.03 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 3hyj s ILE 136 Cb -0.05 -0.50 -0.06 0.00 0.01 0.00 0.00 42.46 41.86 3hyj s ILE 136 CO -0.00 0.21 1.56 0.21 0.00 0.00 0.00 174.94 176.92 3hyj s ASN 137 N 0.98 6.73 -0.34 3.58 2.47 0.12 -0.96 114.94 127.51 3hyj s ASN 137 Ca -0.10 2.21 0.05 0.00 0.42 0.00 0.00 52.86 55.43 3hyj s ASN 137 Cb -0.14 -2.55 0.17 0.00 -1.45 0.00 0.00 41.25 37.28 3hyj s ASN 137 CO -0.00 -0.85 0.49 -0.22 -3.72 0.00 0.00 177.10 172.79 3hyj s LEU 138 N 3.32 -0.98 0.19 3.21 2.96 -0.72 -4.23 118.68 122.44 3hyj s LEU 138 Ca 0.69 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3hyj s LEU 138 Cb -0.33 1.38 0.11 0.00 0.50 0.00 0.00 46.19 47.84 3hyj s LEU 138 CO 0.28 -0.28 1.51 0.15 -1.32 0.00 0.00 176.35 176.69 3hyj h PHE 139 N 7.60 0.73 -2.96 5.38 3.57 -1.75 -3.41 116.94 126.10 3hyj h PHE 139 Ca -0.01 -0.25 -0.56 0.00 3.53 0.00 0.00 57.97 60.68 3hyj h PHE 139 Cb 1.13 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 3hyj h PHE 139 CO 0.25 0.99 0.83 -2.00 -2.23 0.00 0.00 178.31 176.15 3hyj s GLU 140 N -4.04 4.28 0.15 1.11 2.12 -1.26 -4.83 118.70 116.24 3hyj s GLU 140 Ca -0.08 1.72 -0.15 0.00 0.36 0.00 0.00 54.97 56.82 3hyj s GLU 140 Cb 0.11 -3.68 0.03 0.00 0.26 0.00 0.00 34.13 30.85 3hyj s GLU 140 CO 0.84 -0.61 1.75 0.93 -0.54 0.00 0.00 175.26 177.64 3hyj h GLU 141 N 7.96 0.65 -0.59 4.30 5.08 -1.99 0.33 114.58 130.33 3hyj h GLU 141 Ca -0.31 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3hyj h GLU 141 Cb 1.13 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 3hyj h GLU 141 CO 0.93 0.52 0.32 0.93 -1.00 0.00 0.00 179.01 180.71 3hyj h GLU 142 N 0.61 0.82 0.00 2.33 4.39 -1.99 -0.48 114.58 120.26 3hyj h GLU 142 Ca 0.16 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3hyj h GLU 142 Cb 0.07 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3hyj h GLU 142 CO -0.02 0.63 -0.00 1.15 -1.16 0.00 0.00 179.01 179.61 3hyj h THR 143 N 0.79 1.32 -0.94 1.13 2.02 -1.92 -2.23 112.91 113.08 3hyj h THR 143 Ca 0.21 -0.96 0.18 0.00 0.77 0.00 0.00 66.41 66.61 3hyj h THR 143 Cb 0.06 1.97 -0.17 0.00 -1.74 0.00 0.00 68.15 68.26 3hyj h THR 143 CO -0.03 0.25 -0.26 -0.07 0.37 0.00 0.00 175.52 175.78 3hyj h LEU 144 N -0.41 -0.96 -0.13 2.58 3.38 -0.77 0.18 115.31 119.19 3hyj h LEU 144 Ca -0.00 0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3hyj h LEU 144 Cb 0.41 0.61 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hyj h LEU 144 CO 0.00 -0.31 0.01 0.00 0.09 0.00 0.00 178.44 178.24 3hyj h ALA 145 N 1.84 0.17 -0.12 1.53 0.00 -0.98 -2.10 119.26 119.60 3hyj h ALA 145 Ca 0.43 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3hyj h ALA 145 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hyj h ALA 145 CO -0.96 -0.15 -0.32 -0.07 0.00 0.00 0.00 179.25 177.74 3hyj h LEU 146 N -0.02 0.24 -0.70 0.00 3.38 -0.79 -1.26 115.31 116.17 3hyj h LEU 146 Ca 0.04 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3hyj h LEU 146 Cb 0.32 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hyj h LEU 146 CO 0.00 0.56 -0.48 0.74 0.09 0.00 0.00 178.44 179.36 3hyj h THR 147 N 0.21 1.32 -0.36 0.22 2.02 -0.63 -1.95 112.91 113.75 3hyj h THR 147 Ca 0.03 -1.69 -0.11 0.00 0.77 0.00 0.00 66.41 65.41 3hyj h THR 147 Cb 0.68 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3hyj h THR 147 CO 0.05 0.52 -0.19 0.03 0.37 0.00 0.00 175.52 176.30 3hyj h ARG 148 N 0.34 0.76 0.12 6.66 3.08 -0.85 -2.40 114.38 122.09 3hyj h ARG 148 Ca 0.02 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 3hyj h ARG 148 Cb 0.96 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3hyj h ARG 148 CO 0.08 0.95 -0.09 -0.22 -1.07 0.00 0.00 179.97 179.63 3hyj h LYS 149 N 0.55 -0.21 0.00 0.04 3.64 -1.21 -2.44 116.57 116.94 3hyj h LYS 149 Ca 0.08 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3hyj h LYS 149 Cb 0.73 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3hyj h LYS 149 CO 0.06 -0.14 -0.25 0.77 -2.27 0.00 0.00 179.45 177.62 3hyj h SER 150 N -0.22 0.00 -0.36 4.20 0.02 -1.37 0.18 113.55 115.99 3hyj h SER 150 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 3hyj h SER 150 Cb 0.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3hyj h SER 150 CO -0.01 0.25 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.75 3hyj h LEU 151 N 0.00 0.79 -0.04 5.07 3.38 -1.20 -0.24 115.31 123.07 3hyj h LEU 151 Ca -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hyj h LEU 151 Cb 0.45 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hyj h LEU 151 CO 0.03 0.92 -0.05 0.50 0.09 0.00 0.00 178.44 179.93 3hyj h LYS 152 N 0.72 0.10 0.11 1.13 1.63 -1.04 0.04 116.57 119.26 3hyj h LYS 152 Ca 0.12 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3hyj h LYS 152 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 3hyj h LYS 152 CO 0.04 0.60 -0.05 -0.44 -3.45 0.00 0.00 179.45 176.14 3hyj h ASP 153 N -0.39 -0.13 0.20 4.20 3.32 -0.77 0.97 116.42 123.83 3hyj h ASP 153 Ca 0.00 -0.21 -0.28 0.00 0.02 0.00 0.00 57.03 56.57 3hyj h ASP 153 Cb 0.59 0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.19 3hyj h ASP 153 CO 0.01 0.14 -1.14 -0.26 -1.72 0.00 0.00 179.24 176.27 3hyj h PHE 154 N -0.40 0.88 0.00 4.55 0.04 -1.19 -3.39 116.94 117.44 3hyj h PHE 154 Ca -0.02 -0.53 0.00 0.00 2.80 0.00 0.00 57.97 60.22 3hyj h PHE 154 Cb 0.33 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3hyj h PHE 154 CO 0.01 1.37 0.00 1.19 -0.60 0.00 0.00 178.31 180.28 3hyj n PHE 155 N -3.77 0.00 -3.30 -0.55 3.72 -0.91 -5.00 117.46 107.65 3hyj n PHE 155 Ca -0.11 -0.36 -0.24 0.00 -0.05 0.00 0.00 57.45 56.69 3hyj n PHE 155 Cb 0.94 -0.04 0.03 0.00 -0.94 0.00 0.00 39.48 39.47 3hyj n PHE 155 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3hyj n ASN 156 N -0.36 -5.36 -4.80 4.37 5.15 0.34 -4.92 115.26 109.67 3hyj n ASN 156 Ca 0.00 -0.41 -0.36 0.00 -0.60 0.00 0.00 54.58 53.21 3hyj n ASN 156 Cb 0.31 -4.33 -0.07 0.00 -0.53 0.00 0.00 39.78 35.17 3hyj n ASN 156 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hyj s ILE 157 N -3.15 5.38 -0.53 -1.44 1.01 -0.07 -4.89 121.20 117.52 3hyj s ILE 157 Ca 0.41 0.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.26 3hyj s ILE 157 Cb -0.20 -3.50 0.13 0.00 0.01 0.00 0.00 42.46 38.90 3hyj s ILE 157 CO 0.51 0.52 0.48 0.20 0.00 0.00 0.00 174.94 176.65 3hyj s ASN 158 N -0.35 6.13 -0.07 3.58 0.01 -1.26 -2.72 114.94 120.26 3hyj s ASN 158 Ca 0.14 -1.81 -0.05 0.00 -0.71 0.00 0.00 52.86 50.43 3hyj s ASN 158 Cb -0.12 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 3hyj s ASN 158 CO 0.03 -0.84 0.16 0.00 -1.51 0.00 0.00 177.10 174.95 3hyj s ALA 159 N 1.56 3.92 0.00 0.60 0.00 -1.26 -4.69 121.76 121.89 3hyj s ALA 159 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3hyj s ALA 159 Cb -0.29 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3hyj s ALA 159 CO 0.02 0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.88 3hyj n GLY 160 N 1.48 3.30 3.12 0.00 0.00 0.16 -4.89 105.19 108.36 3hyj n GLY 160 Ca -0.16 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.43 3hyj n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hyj s ILE 161 N -0.22 1.33 -0.15 -0.61 1.09 -1.26 -1.00 121.20 120.38 3hyj s ILE 161 Ca 0.00 -0.67 -0.03 0.00 -1.10 0.00 0.00 60.65 58.86 3hyj s ILE 161 Cb -0.00 -1.15 -0.02 0.00 -1.06 0.00 0.00 42.46 40.23 3hyj s ILE 161 CO 0.00 0.39 -0.06 -0.63 -0.10 0.00 0.00 174.94 174.53 3hyj s ILE 162 N 0.04 3.65 -0.24 2.92 1.01 -0.08 -4.92 121.20 123.59 3hyj s ILE 162 Ca -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3hyj s ILE 162 Cb -0.11 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.82 3hyj s ILE 162 CO 0.02 0.50 -0.12 -1.61 0.00 0.00 0.00 174.94 173.72 3hyj s GLU 163 N 0.39 2.59 -0.09 2.79 2.02 -1.26 -1.59 118.70 123.55 3hyj s GLU 163 Ca -0.06 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 53.78 3hyj s GLU 163 Cb -0.15 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.30 3hyj s GLU 163 CO 0.04 -0.43 0.09 -1.17 0.02 0.00 0.00 175.26 173.80 3hyj s LEU 164 N 1.21 0.15 -0.95 1.80 2.96 -1.09 -5.01 118.68 117.75 3hyj s LEU 164 Ca -0.03 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 3hyj s LEU 164 Cb -0.17 -0.09 -0.00 0.00 0.50 0.00 0.00 46.19 46.42 3hyj s LEU 164 CO -0.07 -0.28 0.72 0.54 -1.32 0.00 0.00 176.35 175.94 3hyj n ARG 165 N 5.30 -1.32 -2.22 1.98 1.74 -1.26 -1.76 116.66 119.12 3hyj n ARG 165 Ca -0.04 0.79 -0.19 0.00 -0.77 0.00 0.00 57.85 57.64 3hyj n ARG 165 Cb 0.50 -4.00 -0.02 0.00 -1.02 0.00 0.00 32.46 27.91 3hyj n ARG 165 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3hyj n ASN 166 N -2.43 -5.29 -4.28 0.55 0.23 -1.26 -4.98 115.26 97.80 3hyj n ASN 166 Ca -0.13 0.13 -0.16 0.00 -0.53 0.00 0.00 54.58 53.88 3hyj n ASN 166 Cb 0.60 -4.48 -0.10 0.00 -2.08 0.00 0.00 39.78 33.71 3hyj n ASN 166 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3hyj s THR 167 N -2.85 1.39 -0.01 5.53 -4.23 -0.72 -5.10 115.64 109.65 3hyj s THR 167 Ca 0.00 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 3hyj s THR 167 Cb 0.00 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.99 3hyj s THR 167 CO 0.00 -0.63 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.29 3hyj s ARG 168 N -3.50 0.34 -0.02 3.99 0.52 -1.26 -2.69 118.95 116.33 3hyj s ARG 168 Ca 0.17 -0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.34 3hyj s ARG 168 Cb -0.00 -0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.09 3hyj s ARG 168 CO 0.03 0.03 -0.19 0.15 0.02 0.00 0.00 175.30 175.34 3hyj s LYS 169 N 0.18 1.61 0.24 3.54 -0.14 -0.62 -1.75 119.74 122.79 3hyj s LYS 169 Ca -0.02 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.61 3hyj s LYS 169 Cb -0.05 -1.53 -0.09 0.00 -1.68 0.00 0.00 37.83 34.48 3hyj s LYS 169 CO -0.00 0.39 1.34 -1.17 -0.76 0.00 0.00 175.35 175.15 3hyj s LEU 170 N -0.38 4.41 -0.06 3.17 1.98 -0.13 -0.90 118.68 126.76 3hyj s LEU 170 Ca 0.06 2.52 0.02 0.00 -2.89 0.00 0.00 54.13 53.84 3hyj s LEU 170 Cb -0.08 -3.62 0.01 0.00 0.66 0.00 0.00 46.19 43.16 3hyj s LEU 170 CO -0.00 -0.57 -0.11 -0.47 -1.89 0.00 0.00 176.35 173.31 3hyj s TYR 171 N -0.14 1.33 -0.05 5.38 5.04 -0.17 -1.53 117.35 127.21 3hyj s TYR 171 Ca 0.56 -0.47 0.02 0.00 -2.44 0.00 0.00 57.07 54.74 3hyj s TYR 171 Cb -0.38 -0.99 0.01 0.00 0.35 0.00 0.00 41.96 40.94 3hyj s TYR 171 CO 0.42 -0.26 -0.12 0.42 -1.34 0.00 0.00 175.55 174.68 3hyj s ILE 172 N 0.69 1.06 -0.04 3.14 1.01 0.34 0.40 121.20 127.79 3hyj s ILE 172 Ca -0.14 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3hyj s ILE 172 Cb -0.15 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 3hyj s ILE 172 CO 0.03 0.33 0.02 1.17 0.00 0.00 0.00 174.94 176.49 3hyj n LYS 173 N 3.67 3.20 -3.05 2.79 4.81 -1.26 -0.96 118.16 127.37 3hyj n LYS 173 Ca -0.22 -0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.82 3hyj n LYS 173 Cb 0.52 -1.10 -0.05 0.00 0.02 0.00 0.00 35.03 34.42 3hyj n LYS 173 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hyj s SER 174 N -3.44 6.89 0.42 3.14 0.15 -1.26 -4.50 113.70 115.09 3hyj s SER 174 Ca -0.02 1.08 0.10 0.00 0.70 0.00 0.00 55.95 57.81 3hyj s SER 174 Cb 0.01 -2.40 0.93 0.00 -1.71 0.00 0.00 66.02 62.86 3hyj s SER 174 CO 0.16 -0.21 2.02 -0.29 1.20 0.00 0.00 173.24 176.13 3hyj h ILE 175 N 4.95 1.00 0.58 6.45 6.09 -1.94 0.02 117.51 134.66 3hyj h ILE 175 Ca -0.36 -0.17 -0.03 0.00 -1.37 0.00 0.00 64.86 62.93 3hyj h ILE 175 Cb 1.17 0.46 0.01 0.00 0.47 0.00 0.00 36.82 38.93 3hyj h ILE 175 CO 0.78 0.09 -0.28 0.50 -3.07 0.00 0.00 178.15 176.17 3hyj h LYS 176 N 0.49 -0.75 -0.62 2.19 3.11 -1.99 -0.90 116.57 118.10 3hyj h LYS 176 Ca 0.22 0.05 0.08 0.00 -2.81 0.00 0.00 60.65 58.18 3hyj h LYS 176 Cb 0.23 0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 3hyj h LYS 176 CO -0.06 -0.50 0.41 -0.44 -2.81 0.00 0.00 179.45 176.06 3hyj h ASP 177 N -0.78 0.49 -0.14 4.20 3.45 -1.79 0.13 116.42 121.98 3hyj h ASP 177 Ca -0.08 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.35 3hyj h ASP 177 Cb 0.60 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3hyj h ASP 177 CO 0.13 0.31 -0.05 0.40 -1.57 0.00 0.00 179.24 178.46 3hyj h ILE 178 N 0.55 1.30 -0.32 0.35 2.04 -0.83 -0.86 117.51 119.75 3hyj h ILE 178 Ca 0.28 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3hyj h ILE 178 Cb 0.37 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3hyj h ILE 178 CO -0.08 0.30 0.15 -0.07 0.00 0.00 0.00 178.15 178.44 3hyj h LEU 179 N -0.03 0.42 -0.99 1.44 3.38 -0.48 0.75 115.31 119.80 3hyj h LEU 179 Ca 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hyj h LEU 179 Cb 0.49 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3hyj h LEU 179 CO 0.02 0.44 0.63 0.58 0.09 0.00 0.00 178.44 180.20 3hyj h VAL 180 N 0.37 1.26 -0.11 1.22 2.07 -0.77 -0.70 116.25 119.59 3hyj h VAL 180 Ca 0.11 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hyj h VAL 180 Cb 0.14 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3hyj h VAL 180 CO -0.01 0.26 0.05 0.15 0.02 0.00 0.00 177.57 178.04 3hyj h PHE 181 N 1.35 0.15 -0.44 1.57 3.57 -0.59 -1.18 116.94 121.37 3hyj h PHE 181 Ca 0.36 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.71 3hyj h PHE 181 Cb -0.12 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3hyj h PHE 181 CO 0.00 0.20 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.93 3hyj h LEU 182 N 0.06 1.00 -0.23 0.59 3.38 -0.61 -2.46 115.31 117.05 3hyj h LEU 182 Ca 0.04 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.63 3hyj h LEU 182 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3hyj h LEU 182 CO -0.00 1.21 0.03 -0.33 0.09 0.00 0.00 178.44 179.43 3hyj h GLU 183 N 0.82 0.11 -0.90 1.13 5.08 -1.06 -1.07 114.58 118.68 3hyj h GLU 183 Ca 0.09 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3hyj h GLU 183 Cb 0.86 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 3hyj h GLU 183 CO 0.08 0.07 0.57 0.00 -1.00 0.00 0.00 179.01 178.73 3hyj h ALA 184 N 1.18 1.23 -0.00 3.43 0.00 -0.97 -1.94 119.26 122.18 3hyj h ALA 184 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hyj h ALA 184 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hyj h ALA 184 CO -0.15 0.36 -0.07 0.44 0.00 0.00 0.00 179.25 179.83 3hyj n ILE 185 N -4.56 0.00 0.00 0.00 -5.35 -0.95 -4.92 119.36 103.58 3hyj n ILE 185 Ca 0.13 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3hyj n ILE 185 Cb 0.15 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 3hyj n ILE 185 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hyj n GLY 186 N 1.49 1.33 3.71 3.28 0.00 -0.73 -4.89 105.19 109.38 3hyj n GLY 186 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3hyj n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hyj s VAL 187 N -1.67 5.07 -0.04 1.61 -7.23 -0.45 -4.83 120.40 112.85 3hyj s VAL 187 Ca 0.00 1.29 0.06 0.00 -1.81 0.00 0.00 61.98 61.52 3hyj s VAL 187 Cb 0.00 -3.97 -0.08 0.00 0.56 0.00 0.00 36.38 32.88 3hyj s VAL 187 CO 0.00 0.24 0.06 0.00 -0.31 0.00 0.00 175.10 175.09 3hyj n GLN 188 N 4.00 2.08 -1.94 4.82 6.02 -1.26 -4.23 117.38 126.87 3hyj n GLN 188 Ca -0.02 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.59 3hyj n GLN 188 Cb 0.51 -1.15 0.04 0.00 1.02 0.00 0.00 30.24 30.66 3hyj n GLN 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hyj s ARG 189 N -2.24 2.90 0.52 -1.09 0.52 -1.26 -5.03 118.95 113.27 3hyj s ARG 189 Ca -0.03 1.71 -0.05 0.00 -0.52 0.00 0.00 55.73 56.84 3hyj s ARG 189 Cb 0.03 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 3hyj s ARG 189 CO 0.25 -1.23 0.83 0.15 0.02 0.00 0.00 175.30 175.31 3hyj s LYS 190 N -3.52 3.36 0.00 3.54 1.02 -1.26 -4.89 119.74 117.98 3hyj s LYS 190 Ca 0.74 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.88 3hyj s LYS 190 Cb -0.27 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3hyj s LYS 190 CO 0.35 -0.36 0.00 1.28 -0.92 0.00 0.00 175.35 175.69 3hyj n LEU 191 N -2.37 0.00 0.08 3.17 7.99 -1.26 -3.72 117.00 120.89 3hyj n LEU 191 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.11 3hyj n LEU 191 Cb 0.56 0.00 0.41 0.00 -0.11 0.00 0.00 43.42 44.27 3hyj n LEU 191 CO 0.53 0.00 0.78 -1.84 -1.51 0.00 0.00 177.39 175.35 3hyj n GLU 192 N 0.00 0.11 0.17 3.23 0.28 -1.26 -3.47 120.64 119.70 3hyj n GLU 192 Ca 0.00 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.55 3hyj n GLU 192 Cb 0.00 -1.74 0.52 0.00 1.43 0.00 0.00 31.44 31.65 3hyj n GLU 192 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3hyj h GLU 193 N 0.00 0.00 -0.87 3.44 5.08 -1.96 0.20 114.58 120.46 3hyj h GLU 193 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 3hyj h GLU 193 Cb 0.24 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.34 3hyj h GLU 193 CO 0.00 0.00 0.15 0.97 -1.00 0.00 0.00 179.01 179.13 3hyj h ILE 194 N 0.00 0.26 -0.24 3.13 -0.00 -1.90 0.39 117.51 119.15 3hyj h ILE 194 Ca 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 64.86 64.75 3hyj h ILE 194 Cb 0.45 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 37.37 3hyj h ILE 194 CO 0.00 0.03 -0.10 0.44 -0.00 0.00 0.00 178.15 178.52 3hyj h ASP 195 N 0.15 0.50 -0.40 2.19 3.45 -0.86 0.24 116.42 121.68 3hyj h ASP 195 Ca 0.54 -0.40 -0.08 0.00 0.43 0.00 0.00 57.03 57.52 3hyj h ASP 195 Cb 1.07 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 3hyj h ASP 195 CO -0.71 0.78 -0.08 0.03 -1.57 0.00 0.00 179.24 177.70 3hyj h ARG 196 N 0.21 0.76 -0.70 3.56 3.08 -1.37 -2.98 114.38 116.94 3hyj h ARG 196 Ca 0.06 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 3hyj h ARG 196 Cb 0.58 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3hyj h ARG 196 CO 0.03 0.89 0.17 0.82 -1.07 0.00 0.00 179.97 180.81 3hyj h ILE 197 N 0.58 1.26 -0.00 2.04 5.03 -0.27 -3.52 117.51 122.64 3hyj h ILE 197 Ca 0.10 -0.97 0.00 0.00 -0.12 0.00 0.00 64.86 63.88 3hyj h ILE 197 Cb 0.59 0.54 0.00 0.00 -3.03 0.00 0.00 36.82 34.92 3hyj h ILE 197 CO 0.04 0.37 0.00 0.52 -0.68 0.00 0.00 178.15 178.40