#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpq s VAL 17 N 0.00 5.19 -1.07 1.39 1.01 0.45 -4.42 120.40 122.95 2hpq s VAL 17 Ca 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 2hpq s VAL 17 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2hpq s VAL 17 CO 0.00 0.29 0.90 -0.62 0.00 0.00 0.00 175.10 175.67 2hpq n GLU 18 N 4.06 -5.02 0.00 2.72 -0.58 -1.26 -1.17 120.64 119.39 2hpq n GLU 18 Ca -0.07 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 2hpq n GLU 18 Cb 0.51 -5.59 0.00 0.00 -0.57 0.00 0.00 31.44 25.79 2hpq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hpq n GLY 19 N -1.16 4.96 1.52 0.62 0.00 -1.26 -4.53 105.19 105.35 2hpq n GLY 19 Ca -0.21 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 2hpq n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hpq n SER 20 N 0.00 -0.09 -4.67 1.61 3.41 -0.30 -4.89 113.62 108.68 2hpq n SER 20 Ca 0.00 -2.03 -0.44 0.00 -0.26 0.00 0.00 58.87 56.13 2hpq n SER 20 Cb 0.00 0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 2hpq n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2hpq n ASP 21 N -2.28 3.89 -4.77 4.04 8.00 -1.25 0.12 116.55 124.30 2hpq n ASP 21 Ca 0.03 0.94 -0.38 0.00 0.71 0.00 0.00 54.79 56.09 2hpq n ASP 21 Cb 0.29 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 39.89 2hpq n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hpq s ALA 22 N 3.98 3.12 0.97 2.24 0.00 0.41 -4.78 121.76 127.70 2hpq s ALA 22 Ca 0.89 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.74 2hpq s ALA 22 Cb -0.53 -3.40 0.17 0.00 0.00 0.00 0.00 23.12 19.36 2hpq s ALA 22 CO 0.44 -0.62 1.09 -1.21 0.00 0.00 0.00 175.76 175.46 2hpq s GLU 23 N -2.39 0.68 -0.10 0.00 2.02 -1.26 -4.83 118.70 112.82 2hpq s GLU 23 Ca 0.59 0.86 -0.17 0.00 0.02 0.00 0.00 54.97 56.27 2hpq s GLU 23 Cb -0.31 -1.74 -0.05 0.00 0.10 0.00 0.00 34.13 32.13 2hpq s GLU 23 CO 0.39 -2.65 0.43 -1.50 0.02 0.00 0.00 175.26 171.96 2hpq s ILE 24 N -2.82 5.18 -0.01 -1.63 2.07 -1.26 -3.32 121.20 119.41 2hpq s ILE 24 Ca 0.65 0.87 0.00 0.00 -1.41 0.00 0.00 60.65 60.76 2hpq s ILE 24 Cb -0.20 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 38.62 2hpq s ILE 24 CO 0.59 0.38 0.00 0.61 -1.91 0.00 0.00 174.94 174.61 2hpq n GLY 25 N 3.03 0.38 0.12 1.50 0.00 -1.26 -4.98 105.19 103.98 2hpq n GLY 25 Ca -0.09 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 2hpq n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2hpq h MET 26 N 0.00 0.35 -2.54 1.61 -1.53 -1.91 -3.41 114.93 107.50 2hpq h MET 26 Ca -0.00 -0.60 -0.60 0.00 -3.44 0.00 0.00 59.70 55.06 2hpq h MET 26 Cb 0.43 0.22 -0.39 0.00 -0.55 0.00 0.00 31.60 31.31 2hpq h MET 26 CO 0.00 1.26 -0.88 0.45 0.14 0.00 0.00 176.91 177.88 2hpq s SER 27 N -7.24 2.23 0.39 1.39 0.15 -1.26 -4.97 113.70 104.39 2hpq s SER 27 Ca -0.08 -3.22 0.28 0.00 0.70 0.00 0.00 55.95 53.63 2hpq s SER 27 Cb 0.06 -0.71 1.31 0.00 -1.71 0.00 0.00 66.02 64.97 2hpq s SER 27 CO 0.89 -0.15 1.85 1.55 1.20 0.00 0.00 173.24 178.57 2hpq h PRO 28 N 5.62 0.00 -0.00 5.44 0.14 -1.80 -2.39 132.00 139.01 2hpq h PRO 28 Ca 0.23 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.37 2hpq h PRO 28 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.02 2hpq h PRO 28 CO 0.45 0.00 -0.33 -2.67 0.14 0.00 0.00 178.00 175.59 2hpq n TRP 29 N -2.54 0.00 -2.06 1.56 2.14 -0.87 -2.22 117.44 113.46 2hpq n TRP 29 Ca 0.00 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.16 2hpq n TRP 29 Cb 0.17 -0.30 -0.02 0.00 -0.81 0.00 0.00 31.31 30.35 2hpq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2hpq s GLN 30 N -2.93 4.30 0.06 -2.67 2.00 -0.90 -0.93 119.66 118.59 2hpq s GLN 30 Ca 0.14 2.26 0.07 0.00 -2.00 0.00 0.00 55.36 55.83 2hpq s GLN 30 Cb 0.18 -3.09 -0.03 0.00 0.80 0.00 0.00 33.01 30.87 2hpq s GLN 30 CO 0.63 -0.31 -0.18 0.08 -0.50 0.00 0.00 175.29 175.01 2hpq s VAL 31 N -0.56 1.46 -0.31 1.34 1.01 -0.13 -4.14 120.40 119.06 2hpq s VAL 31 Ca 0.54 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 2hpq s VAL 31 Cb -0.41 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2hpq s VAL 31 CO 0.48 0.03 0.14 -0.32 0.00 0.00 0.00 175.10 175.43 2hpq s MET 32 N -1.42 3.30 -0.53 2.72 1.75 -0.71 -1.84 119.30 122.57 2hpq s MET 32 Ca 0.04 -0.74 -0.23 0.00 -1.25 0.00 0.00 55.69 53.51 2hpq s MET 32 Cb -0.09 -3.52 0.04 0.00 2.84 0.00 0.00 34.83 34.10 2hpq s MET 32 CO 0.02 -0.42 0.87 -1.17 -0.65 0.00 0.00 175.02 173.68 2hpq s LEU 33 N 1.59 4.27 -0.13 4.11 1.98 0.26 -0.33 118.68 130.43 2hpq s LEU 33 Ca 0.04 -0.42 0.02 0.00 -2.89 0.00 0.00 54.13 50.88 2hpq s LEU 33 Cb -0.17 -2.78 0.01 0.00 0.66 0.00 0.00 46.19 43.91 2hpq s LEU 33 CO 0.05 -1.13 -0.21 0.12 -1.89 0.00 0.00 176.35 173.29 2hpq s PHE 34 N 3.64 2.57 -0.14 5.38 5.36 -0.73 -0.77 117.98 133.29 2hpq s PHE 34 Ca 0.28 -1.27 -0.29 0.00 -0.96 0.00 0.00 56.93 54.68 2hpq s PHE 34 Cb -0.14 -1.75 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2hpq s PHE 34 CO 0.18 -0.58 1.26 0.50 -1.46 0.00 0.00 175.22 175.12 2hpq s ARG 35 N 0.81 4.25 0.23 10.12 3.52 0.36 0.20 118.95 138.44 2hpq s ARG 35 Ca -0.08 1.68 -0.08 0.00 -0.13 0.00 0.00 55.73 57.12 2hpq s ARG 35 Cb -0.16 -3.73 0.38 0.00 -1.56 0.00 0.00 34.95 29.89 2hpq s ARG 35 CO -0.01 -0.66 1.65 0.87 -0.81 0.00 0.00 175.30 176.34 2hpq h LYS 36 N 8.08 0.12 -1.39 5.12 1.57 -1.10 -2.36 116.57 126.61 2hpq h LYS 36 Ca -0.28 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2hpq h LYS 36 Cb 1.12 -0.03 -0.23 0.00 0.08 0.00 0.00 32.23 33.17 2hpq h LYS 36 CO 0.95 0.08 0.14 0.45 -0.57 0.00 0.00 179.45 180.49 2hpq s SER 36 N -5.21 -0.74 0.27 0.86 0.15 -1.26 -3.87 113.70 103.89 2hpq s SER 36 Ca -0.13 1.05 -0.30 0.00 0.70 0.00 0.00 55.95 57.26 2hpq s SER 36 Cb 0.21 1.77 -0.13 0.00 -1.71 0.00 0.00 66.02 66.16 2hpq s SER 36 CO 0.75 -0.15 1.31 -2.65 1.20 0.00 0.00 173.24 173.69 2hpq n PRO 37 N 4.93 1.90 -2.10 5.44 -0.02 -1.26 -5.03 135.00 138.86 2hpq n PRO 37 Ca -0.11 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 2hpq n PRO 37 Cb 0.52 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2hpq n PRO 37 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2hpq s GLN 38 N -0.95 3.27 -0.05 -0.52 -0.21 -1.25 -4.62 119.66 115.33 2hpq s GLN 38 Ca 0.64 1.14 -0.15 0.00 0.02 0.00 0.00 55.36 57.00 2hpq s GLN 38 Cb -0.65 -4.19 0.03 0.00 1.00 0.00 0.00 33.01 29.20 2hpq s GLN 38 CO 0.55 -1.94 0.34 -2.00 -2.12 0.00 0.00 175.29 170.12 2hpq s GLU 39 N 5.72 0.62 0.15 2.91 2.12 -0.89 -5.02 118.70 124.32 2hpq s GLU 39 Ca 0.72 0.02 -0.23 0.00 0.36 0.00 0.00 54.97 55.84 2hpq s GLU 39 Cb -0.18 0.28 -0.08 0.00 0.26 0.00 0.00 34.13 34.41 2hpq s GLU 39 CO 0.31 -0.16 0.72 -1.17 -0.54 0.00 0.00 175.26 174.42 2hpq s LEU 40 N -0.92 4.54 -0.11 2.70 0.20 -1.26 -0.49 118.68 123.33 2hpq s LEU 40 Ca -0.10 1.51 -0.09 0.00 0.69 0.00 0.00 54.13 56.15 2hpq s LEU 40 Cb -0.04 -3.25 -0.05 0.00 -0.43 0.00 0.00 46.19 42.41 2hpq s LEU 40 CO 0.04 0.19 -0.20 0.18 -0.29 0.00 0.00 176.35 176.27 2hpq n LEU 41 N 1.47 1.27 0.00 -0.68 4.77 0.05 -4.87 117.00 119.01 2hpq n LEU 41 Ca -0.06 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2hpq n LEU 41 Cb 0.50 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hpq n LEU 41 CO 0.44 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 2hpq s GLY 43 N -1.67 2.86 0.40 0.00 0.00 -0.48 -0.57 107.32 107.86 2hpq s GLY 43 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 2hpq s GLY 43 CO 0.00 -2.13 0.79 0.00 0.00 0.00 0.00 173.10 171.76 2hpq n ALA 44 N -1.48 -1.76 -2.36 3.20 0.00 -0.77 -3.69 120.51 113.66 2hpq n ALA 44 Ca -0.15 -1.28 -0.19 0.00 0.00 0.00 0.00 53.44 51.83 2hpq n ALA 44 Cb 0.66 1.02 -0.10 0.00 0.00 0.00 0.00 19.45 21.03 2hpq n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hpq s SER 45 N -3.08 2.56 -0.42 0.00 0.01 -0.80 -0.95 113.70 111.02 2hpq s SER 45 Ca 0.16 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.24 2hpq s SER 45 Cb -0.05 -0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.11 2hpq s SER 45 CO 0.12 -0.23 0.27 -0.76 0.41 0.00 0.00 173.24 173.05 2hpq s LEU 46 N -3.34 5.12 0.00 2.44 1.43 -0.11 -1.65 118.68 122.57 2hpq s LEU 46 Ca 0.24 -1.30 0.22 0.00 -1.03 0.00 0.00 54.13 52.26 2hpq s LEU 46 Cb 0.01 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.11 2hpq s LEU 46 CO 0.08 -0.51 1.01 2.30 0.23 0.00 0.00 176.35 179.46 2hpq n ILE 47 N 5.01 0.00 -3.12 -0.59 -5.35 -1.05 -1.12 119.36 113.14 2hpq n ILE 47 Ca -0.11 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2hpq n ILE 47 Cb 0.44 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 2hpq n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2hpq n SER 48 N -1.48 0.00 -1.18 7.28 3.41 -1.24 -4.69 113.62 115.71 2hpq n SER 48 Ca 0.04 -0.51 0.12 0.00 -0.26 0.00 0.00 58.87 58.26 2hpq n SER 48 Cb 0.33 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.55 2hpq n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2hpq n ASP 49 N -0.20 3.48 0.00 4.04 5.75 -1.26 -4.02 116.55 124.34 2hpq n ASP 49 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2hpq n ASP 49 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2hpq n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2hpq n ARG 50 N 1.45 3.09 -4.97 0.11 1.74 -1.26 -1.41 116.66 115.41 2hpq n ARG 50 Ca 0.21 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.97 2hpq n ARG 50 Cb 0.58 -0.39 -0.14 0.00 -1.02 0.00 0.00 32.46 31.50 2hpq n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2hpq s TRP 51 N -0.54 2.61 0.32 -1.55 0.52 -1.26 0.96 118.94 120.00 2hpq s TRP 51 Ca 0.00 -0.22 0.10 0.00 0.02 0.00 0.00 56.10 56.00 2hpq s TRP 51 Cb 0.00 -1.59 -0.06 0.00 -1.15 0.00 0.00 33.47 30.67 2hpq s TRP 51 CO 0.00 0.14 -0.11 0.08 0.02 0.00 0.00 176.95 177.08 2hpq s VAL 52 N -0.72 2.44 -0.04 4.03 1.01 -0.79 -2.54 120.40 123.80 2hpq s VAL 52 Ca 0.11 -2.23 0.02 0.00 0.00 0.00 0.00 61.98 59.88 2hpq s VAL 52 Cb -0.10 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2hpq s VAL 52 CO 0.00 -0.28 -0.07 -0.22 0.00 0.00 0.00 175.10 174.53 2hpq s LEU 53 N -3.59 1.60 0.00 3.92 2.96 -0.66 -2.29 118.68 120.62 2hpq s LEU 53 Ca 0.32 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 2hpq s LEU 53 Cb -0.01 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.16 2hpq s LEU 53 CO 0.17 0.01 0.38 1.07 -1.32 0.00 0.00 176.35 176.66 2hpq n THR 54 N 3.64 0.00 -2.88 3.68 5.66 0.95 -1.91 114.28 123.42 2hpq n THR 54 Ca -0.22 -1.35 -0.40 0.00 -3.05 0.00 0.00 64.05 59.04 2hpq n THR 54 Cb 0.53 0.84 -0.05 0.00 -1.55 0.00 0.00 70.33 70.09 2hpq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hpq s ALA 55 N -2.48 3.36 0.30 1.79 0.00 -1.26 -0.88 121.76 122.58 2hpq s ALA 55 Ca 0.22 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.70 2hpq s ALA 55 Cb -0.01 -3.09 0.46 0.00 0.00 0.00 0.00 23.12 20.48 2hpq s ALA 55 CO 0.16 0.14 1.69 0.00 0.00 0.00 0.00 175.76 177.74 2hpq h ALA 56 N 4.96 1.10 0.00 0.00 0.00 -1.68 -2.54 119.26 121.10 2hpq h ALA 56 Ca -0.45 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2hpq h ALA 56 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2hpq h ALA 56 CO 0.69 0.62 0.00 1.12 0.00 0.00 0.00 179.25 181.68 2hpq h HIS 57 N 0.12 0.00 0.00 0.00 2.07 -1.88 0.92 115.15 116.38 2hpq h HIS 57 Ca 0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.51 2hpq h HIS 57 Cb 0.88 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.86 2hpq h HIS 57 CO 0.01 0.00 -0.09 0.00 -3.07 0.00 0.00 177.93 174.78 2hpq n LEU 59 N -3.15 0.85 -3.68 0.00 4.77 0.31 -4.90 117.00 111.19 2hpq n LEU 59 Ca 0.02 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2hpq n LEU 59 Cb 0.48 0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 2hpq n LEU 59 CO 0.33 0.42 -0.16 -0.22 -1.33 0.00 0.00 177.39 176.44 2hpq s LEU 60 N -5.16 -0.03 -0.08 2.23 2.96 -0.35 0.43 118.68 118.67 2hpq s LEU 60 Ca -0.10 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.03 2hpq s LEU 60 Cb 0.04 0.61 0.11 0.00 0.50 0.00 0.00 46.19 47.45 2hpq s LEU 60 CO 0.45 -0.22 0.92 -0.47 -1.32 0.00 0.00 176.35 175.71 2hpq s TYR 60 N 2.05 -0.39 0.00 5.38 5.04 -0.69 -3.78 117.35 124.96 2hpq s TYR 60 Ca -0.02 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 2hpq s TYR 60 Cb -0.12 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.68 2hpq s TYR 60 CO -0.08 -0.45 0.00 -2.30 -1.34 0.00 0.00 175.55 171.38 2hpq n PRO 60 N 0.34 0.00 -0.44 4.97 -0.02 -1.26 -2.06 135.00 136.53 2hpq n PRO 60 Ca -0.10 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.46 2hpq n PRO 60 Cb 0.59 0.00 0.29 0.00 -0.02 0.00 0.00 33.50 34.36 2hpq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2hpq n TRP 60 N 0.00 1.09 -4.26 6.00 8.01 -1.26 -4.89 117.44 122.13 2hpq n TRP 60 Ca 0.00 -0.46 -0.31 0.00 -1.31 0.00 0.00 57.50 55.42 2hpq n TRP 60 Cb 0.00 -0.14 -0.08 0.00 -2.01 0.00 0.00 31.31 29.09 2hpq n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2hpq n ASP 60 N 1.04 0.20 -4.47 -0.99 2.03 -1.19 -4.91 116.55 108.25 2hpq n ASP 60 Ca 0.21 -1.20 -0.34 0.00 0.52 0.00 0.00 54.79 53.98 2hpq n ASP 60 Cb 0.67 -1.97 -0.13 0.00 -0.72 0.00 0.00 41.12 38.97 2hpq n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2hpq s LYS 60 N -7.17 3.62 -0.29 -0.67 2.47 -0.88 -5.06 119.74 111.76 2hpq s LYS 60 Ca 0.12 -0.55 -0.01 0.00 -1.56 0.00 0.00 55.97 53.97 2hpq s LYS 60 Cb -0.07 -2.88 0.19 0.00 -1.46 0.00 0.00 37.83 33.62 2hpq s LYS 60 CO 0.97 0.22 0.77 1.21 0.16 0.00 0.00 175.35 178.68 2hpq s ASN 60 N 0.41 -1.14 0.22 1.43 2.47 -1.24 -1.70 114.94 115.38 2hpq s ASN 60 Ca -0.05 0.20 0.07 0.00 0.42 0.00 0.00 52.86 53.50 2hpq s ASN 60 Cb -0.14 1.75 -0.04 0.00 -1.45 0.00 0.00 41.25 41.37 2hpq s ASN 60 CO 0.03 -0.21 0.09 -0.36 -3.72 0.00 0.00 177.10 172.93 2hpq s PHE 60 N 2.88 2.96 0.23 0.43 0.08 0.17 -4.99 117.98 119.73 2hpq s PHE 60 Ca 0.16 -0.13 0.10 0.00 0.12 0.00 0.00 56.93 57.18 2hpq s PHE 60 Cb -0.08 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 2hpq s PHE 60 CO -0.24 0.54 -0.07 -0.08 -0.10 0.00 0.00 175.22 175.27 2hpq s THR 60 N -2.01 3.19 -0.65 0.64 -1.32 -1.26 -4.86 115.64 109.37 2hpq s THR 60 Ca 0.31 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 2hpq s THR 60 Cb -0.08 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2hpq s THR 60 CO 0.22 -0.26 0.08 -0.62 -2.21 0.00 0.00 174.62 171.83 2hpq n GLU 61 N -0.43 0.00 -0.01 7.08 4.71 -1.26 -0.71 120.64 130.02 2hpq n GLU 61 Ca -0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.06 2hpq n GLU 61 Cb 0.57 -1.25 -0.02 0.00 -1.01 0.00 0.00 31.44 29.74 2hpq n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2hpq n ASN 62 N -0.41 4.47 0.05 1.62 3.02 -1.26 -4.37 115.26 118.37 2hpq n ASN 62 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 2hpq n ASN 62 Cb 0.00 0.68 0.13 0.00 -0.61 0.00 0.00 39.78 39.98 2hpq n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2hpq h ASP 63 N 0.00 0.42 -3.14 6.41 3.32 -1.30 -3.46 116.42 118.67 2hpq h ASP 63 Ca -0.04 -0.20 -0.50 0.00 0.02 0.00 0.00 57.03 56.30 2hpq h ASP 63 Cb 0.89 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2hpq h ASP 63 CO 0.00 0.84 -0.12 -0.76 -1.72 0.00 0.00 179.24 177.48 2hpq s LEU 64 N -8.26 3.99 0.05 1.55 1.02 -1.25 -0.54 118.68 115.24 2hpq s LEU 64 Ca -0.06 0.67 0.01 0.00 0.02 0.00 0.00 54.13 54.77 2hpq s LEU 64 Cb 0.12 -3.52 -0.03 0.00 0.02 0.00 0.00 46.19 42.79 2hpq s LEU 64 CO 0.81 -0.28 -0.06 -0.22 0.02 0.00 0.00 176.35 176.62 2hpq s LEU 65 N -3.93 2.33 0.01 1.79 2.96 0.13 -4.62 118.68 117.35 2hpq s LEU 65 Ca 0.43 -0.67 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 2hpq s LEU 65 Cb -0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 2hpq s LEU 65 CO 0.34 -0.33 -0.23 0.68 -1.32 0.00 0.00 176.35 175.49 2hpq s VAL 66 N -2.12 2.37 -0.25 1.68 -7.23 0.12 -1.77 120.40 113.21 2hpq s VAL 66 Ca -0.06 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2hpq s VAL 66 Cb -0.05 -1.92 0.06 0.00 0.56 0.00 0.00 36.38 35.03 2hpq s VAL 66 CO -0.02 0.45 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.99 2hpq s ARG 67 N -1.05 2.10 -0.15 4.82 0.52 0.55 -0.03 118.95 125.71 2hpq s ARG 67 Ca 0.12 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.02 2hpq s ARG 67 Cb -0.10 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 2hpq s ARG 67 CO 0.02 -0.56 0.14 0.42 0.02 0.00 0.00 175.30 175.33 2hpq s ILE 68 N 1.19 5.47 0.00 1.52 1.01 0.76 -1.74 121.20 129.41 2hpq s ILE 68 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2hpq s ILE 68 Cb -0.19 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2hpq s ILE 68 CO -0.06 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2hpq n GLY 69 N 2.63 0.72 3.85 6.18 0.00 -1.26 -0.28 105.19 117.03 2hpq n GLY 69 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2hpq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hpq s LYS 70 N -1.00 3.90 -0.04 1.61 1.02 -1.26 -4.18 119.74 119.79 2hpq s LYS 70 Ca 0.00 0.89 -0.05 0.00 0.02 0.00 0.00 55.97 56.84 2hpq s LYS 70 Cb 0.00 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2hpq s LYS 70 CO 0.00 -0.28 -0.09 1.58 -0.92 0.00 0.00 175.35 175.64 2hpq n HIS 71 N -1.66 0.00 -2.00 3.18 -0.00 -1.26 -4.90 115.22 108.58 2hpq n HIS 71 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.37 2hpq n HIS 71 Cb 0.54 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.99 30.38 2hpq n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2hpq s SER 72 N -4.74 6.63 0.35 0.26 0.15 -1.26 -1.73 113.70 113.36 2hpq s SER 72 Ca -0.08 2.72 0.17 0.00 0.70 0.00 0.00 55.95 59.45 2hpq s SER 72 Cb 0.01 -2.63 0.60 0.00 -1.71 0.00 0.00 66.02 62.29 2hpq s SER 72 CO 0.11 -0.70 1.71 -0.09 1.20 0.00 0.00 173.24 175.47 2hpq h ARG 73 N 4.62 0.00 0.00 5.44 2.43 -1.75 -3.41 114.38 121.70 2hpq h ARG 73 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2hpq h ARG 73 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2hpq h ARG 73 CO 0.75 0.43 0.00 2.41 -1.51 0.00 0.00 179.97 182.05 2hpq n THR 74 N -3.62 0.00 -1.38 0.20 -1.04 -1.26 -5.05 114.28 102.14 2hpq n THR 74 Ca -0.01 0.24 -0.39 0.00 -2.04 0.00 0.00 64.05 61.85 2hpq n THR 74 Cb 0.53 -1.20 0.02 0.00 -1.82 0.00 0.00 70.33 67.86 2hpq n THR 74 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2hpq n ARG 75 N -2.06 0.30 -2.91 -2.82 0.63 -1.26 -4.91 116.66 103.62 2hpq n ARG 75 Ca 0.00 0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 2hpq n ARG 75 Cb 0.00 -1.38 -0.04 0.00 0.45 0.00 0.00 32.46 31.49 2hpq n ARG 75 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2hpq s TYR 76 N -1.79 2.81 -1.11 -0.14 6.14 -1.26 -4.84 117.35 117.15 2hpq s TYR 76 Ca 0.63 -0.31 -0.20 0.00 0.64 0.00 0.00 57.07 57.83 2hpq s TYR 76 Cb -0.49 -4.04 -0.06 0.00 0.42 0.00 0.00 41.96 37.79 2hpq s TYR 76 CO 0.60 -1.38 1.96 0.39 0.64 0.00 0.00 175.55 177.75 2hpq n GLU 77 N 7.25 2.11 -0.38 4.97 1.02 -1.26 -4.81 120.64 129.54 2hpq n GLU 77 Ca -0.02 -2.42 0.35 0.00 -0.02 0.00 0.00 57.16 55.06 2hpq n GLU 77 Cb 0.46 -3.31 0.63 0.00 -0.02 0.00 0.00 31.44 29.20 2hpq n GLU 77 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2hpq h ARG 77 N 7.90 0.01 -0.21 3.49 9.65 -1.92 -0.79 114.38 132.50 2hpq h ARG 77 Ca 0.41 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.29 2hpq h ARG 77 Cb 0.77 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2hpq h ARG 77 CO 1.67 0.00 0.00 0.09 2.80 0.00 0.00 179.97 184.53 2hpq n ASN 78 N -5.04 2.57 -0.03 -3.80 5.03 -1.26 -4.75 115.26 107.98 2hpq n ASN 78 Ca 0.39 -1.77 -0.04 0.00 0.87 0.00 0.00 54.58 54.03 2hpq n ASN 78 Cb 1.40 -0.13 -0.02 0.00 -1.02 0.00 0.00 39.78 40.01 2hpq n ASN 78 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2hpq n ILE 79 N 0.69 0.29 -2.88 2.41 -5.35 -0.33 -5.05 119.36 109.15 2hpq n ILE 79 Ca 0.10 -0.11 -0.36 0.00 -0.27 0.00 0.00 62.75 62.11 2hpq n ILE 79 Cb 0.39 -0.71 -0.06 0.00 -1.74 0.00 0.00 39.64 37.51 2hpq n ILE 79 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2hpq s GLU 80 N -2.10 4.43 -0.25 6.28 -1.05 -1.07 -4.78 118.70 120.16 2hpq s GLU 80 Ca -0.07 1.15 -0.04 0.00 -0.15 0.00 0.00 54.97 55.86 2hpq s GLU 80 Cb 0.02 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 2hpq s GLU 80 CO 0.12 0.26 -0.01 0.15 0.95 0.00 0.00 175.26 176.73 2hpq s LYS 81 N -2.23 3.20 -0.40 -4.83 3.01 0.62 -4.87 119.74 114.25 2hpq s LYS 81 Ca 0.50 -0.75 -0.24 0.00 -1.01 0.00 0.00 55.97 54.47 2hpq s LYS 81 Cb -0.16 -3.11 0.02 0.00 -1.01 0.00 0.00 37.83 33.56 2hpq s LYS 81 CO 0.21 -0.30 0.83 0.42 0.51 0.00 0.00 175.35 177.02 2hpq s ILE 82 N 1.46 4.65 0.24 2.17 -1.09 -1.26 -0.17 121.20 127.20 2hpq s ILE 82 Ca 0.04 0.84 0.11 0.00 -2.23 0.00 0.00 60.65 59.40 2hpq s ILE 82 Cb -0.16 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 2hpq s ILE 82 CO -0.02 -0.57 -0.13 -0.55 -1.23 0.00 0.00 174.94 172.44 2hpq s SER 83 N 1.97 3.96 0.03 3.58 0.15 0.96 -4.94 113.70 119.41 2hpq s SER 83 Ca 0.33 -0.81 0.05 0.00 0.70 0.00 0.00 55.95 56.23 2hpq s SER 83 Cb -0.12 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 2hpq s SER 83 CO 0.20 0.06 -0.11 -0.04 1.20 0.00 0.00 173.24 174.55 2hpq s MET 84 N -3.28 2.33 0.42 5.44 -1.94 -1.26 0.13 119.30 121.14 2hpq s MET 84 Ca 0.28 -0.86 -0.23 0.00 -1.71 0.00 0.00 55.69 53.17 2hpq s MET 84 Cb -0.07 -2.37 -0.09 0.00 2.01 0.00 0.00 34.83 34.32 2hpq s MET 84 CO 0.16 0.56 1.06 -0.51 -0.01 0.00 0.00 175.02 176.28 2hpq s LEU 85 N -1.58 4.06 -0.14 -0.03 1.43 -1.26 -0.45 118.68 120.71 2hpq s LEU 85 Ca 0.17 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 2hpq s LEU 85 Cb -0.11 -4.27 -0.08 0.00 0.03 0.00 0.00 46.19 41.76 2hpq s LEU 85 CO 0.08 -0.61 -0.16 1.21 0.23 0.00 0.00 176.35 177.10 2hpq n GLU 86 N -0.31 0.33 -3.50 1.70 4.07 0.70 -4.48 120.64 119.16 2hpq n GLU 86 Ca 0.06 0.11 -0.16 0.00 -0.06 0.00 0.00 57.16 57.11 2hpq n GLU 86 Cb 0.50 -1.17 -0.05 0.00 -0.06 0.00 0.00 31.44 30.66 2hpq n GLU 86 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2hpq s LYS 87 N -2.28 1.11 -0.11 5.31 1.02 -0.84 -4.96 119.74 118.99 2hpq s LYS 87 Ca -0.20 0.07 -0.00 0.00 0.02 0.00 0.00 55.97 55.85 2hpq s LYS 87 Cb 0.06 0.52 -0.02 0.00 -0.52 0.00 0.00 37.83 37.87 2hpq s LYS 87 CO 0.30 -0.39 -0.09 0.42 -0.92 0.00 0.00 175.35 174.66 2hpq s ILE 88 N -1.86 3.42 -0.37 2.17 1.01 -1.26 0.14 121.20 124.45 2hpq s ILE 88 Ca -0.08 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2hpq s ILE 88 Cb -0.00 -2.43 0.11 0.00 0.01 0.00 0.00 42.46 40.14 2hpq s ILE 88 CO 0.04 0.54 0.10 -0.31 0.00 0.00 0.00 174.94 175.31 2hpq s TYR 89 N -0.05 3.68 -0.24 3.97 2.02 0.24 -4.99 117.35 121.98 2hpq s TYR 89 Ca -0.01 -2.96 -0.10 0.00 -0.37 0.00 0.00 57.07 53.63 2hpq s TYR 89 Cb -0.14 -2.96 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 2hpq s TYR 89 CO 0.03 -0.93 0.14 0.42 -1.57 0.00 0.00 175.55 173.64 2hpq s ILE 90 N 0.78 5.14 0.08 2.71 1.01 -1.26 -0.26 121.20 129.40 2hpq s ILE 90 Ca 0.11 0.10 -0.36 0.00 0.00 0.00 0.00 60.65 60.51 2hpq s ILE 90 Cb -0.20 -3.39 -0.18 0.00 0.01 0.00 0.00 42.46 38.69 2hpq s ILE 90 CO -0.07 0.35 1.01 1.57 0.00 0.00 0.00 174.94 177.80 2hpq n HIS 91 N 4.33 0.63 -0.04 3.97 -0.00 -1.16 -4.85 115.22 118.10 2hpq n HIS 91 Ca -0.15 0.93 -0.11 0.00 -0.00 0.00 0.00 57.72 58.38 2hpq n HIS 91 Cb 0.52 -2.13 0.03 0.00 -0.00 0.00 0.00 29.99 28.41 2hpq n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2hpq h PRO 92 N 2.84 0.70 -1.02 1.57 0.13 -1.94 -3.05 132.00 131.23 2hpq h PRO 92 Ca -0.45 -0.41 -0.48 0.00 -0.87 0.00 0.00 66.00 63.79 2hpq h PRO 92 Cb 1.41 0.04 -0.27 0.00 0.13 0.00 0.00 31.00 32.30 2hpq h PRO 92 CO 0.66 1.03 0.62 0.54 -0.23 0.00 0.00 178.00 180.62 2hpq n ARG 93 N -4.00 2.17 -1.98 0.86 1.74 -1.26 -4.92 116.66 109.28 2hpq n ARG 93 Ca -0.03 -2.71 -0.43 0.00 -0.77 0.00 0.00 57.85 53.92 2hpq n ARG 93 Cb 0.58 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 2hpq n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2hpq s TYR 94 N -3.00 1.86 -1.18 -1.55 5.04 -1.16 -4.78 117.35 112.59 2hpq s TYR 94 Ca 0.52 0.36 -0.10 0.00 -2.44 0.00 0.00 57.07 55.40 2hpq s TYR 94 Cb 0.43 -4.00 0.22 0.00 0.35 0.00 0.00 41.96 38.97 2hpq s TYR 94 CO 0.08 -3.57 1.43 -1.71 -1.34 0.00 0.00 175.55 170.44 2hpq n ASN 95 N 8.50 5.46 -0.02 4.32 5.15 -0.75 -4.76 115.26 133.16 2hpq n ASN 95 Ca 0.20 -3.08 0.15 0.00 -0.60 0.00 0.00 54.58 51.24 2hpq n ASN 95 Cb 0.44 -1.46 0.71 0.00 -0.53 0.00 0.00 39.78 38.94 2hpq n ASN 95 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 2hpq n TRP 96 N 3.84 0.00 0.88 1.20 4.27 -1.26 0.17 117.44 126.54 2hpq n TRP 96 Ca 0.32 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 54.04 2hpq n TRP 96 Cb 0.39 -0.30 -0.00 0.00 -1.36 0.00 0.00 31.31 30.04 2hpq n TRP 96 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2hpq n ARG 97 N -1.27 0.08 0.00 -2.67 1.74 -1.26 -4.70 116.66 108.58 2hpq n ARG 97 Ca 0.13 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2hpq n ARG 97 Cb 0.26 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2hpq n ARG 97 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2hpq n GLU 97 N -1.61 0.00 -0.80 5.56 2.13 -1.13 -4.96 120.64 119.83 2hpq n GLU 97 Ca 0.04 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.89 2hpq n GLU 97 Cb 0.36 -0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.12 2hpq n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2hpq n ASN 98 N -1.15 0.88 -3.71 4.31 0.23 -1.13 -4.91 115.26 109.78 2hpq n ASN 98 Ca 0.00 -2.38 -0.23 0.00 -0.53 0.00 0.00 54.58 51.43 2hpq n ASN 98 Cb 0.00 -0.31 0.04 0.00 -2.08 0.00 0.00 39.78 37.44 2hpq n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2hpq n LEU 99 N -0.16 -3.11 -4.76 -4.53 4.77 0.45 -4.93 117.00 104.73 2hpq n LEU 99 Ca 0.07 -0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 54.88 2hpq n LEU 99 Cb 0.85 -2.73 -0.03 0.00 -2.33 0.00 0.00 43.42 39.17 2hpq n LEU 99 CO -0.02 0.44 0.90 -0.62 -1.33 0.00 0.00 177.39 176.76 2hpq s ASP 100 N -3.99 7.01 -1.21 -1.43 2.15 -1.10 -3.28 116.67 114.82 2hpq s ASP 100 Ca 0.23 2.45 -0.01 0.00 0.43 0.00 0.00 52.55 55.64 2hpq s ASP 100 Cb -0.11 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2hpq s ASP 100 CO 0.80 -0.36 1.01 0.54 -0.17 0.00 0.00 175.17 176.99 2hpq n ARG 101 N 1.33 -6.74 -1.18 4.34 1.74 -1.26 -1.81 116.66 113.07 2hpq n ARG 101 Ca 0.01 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.49 2hpq n ARG 101 Cb 0.43 -5.82 -0.06 0.00 -1.02 0.00 0.00 32.46 26.00 2hpq n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2hpq n ASP 102 N -3.07 2.55 -4.24 0.55 2.03 -1.21 -4.56 116.55 108.60 2hpq n ASP 102 Ca -0.24 -2.68 -0.24 0.00 0.52 0.00 0.00 54.79 52.15 2hpq n ASP 102 Cb 0.65 -1.14 -0.13 0.00 -0.72 0.00 0.00 41.12 39.78 2hpq n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2hpq s ILE 103 N 5.17 1.56 -0.15 5.18 2.07 -1.26 -3.64 121.20 130.13 2hpq s ILE 103 Ca 0.58 -1.26 -0.19 0.00 -1.41 0.00 0.00 60.65 58.37 2hpq s ILE 103 Cb 0.14 -1.39 0.05 0.00 0.13 0.00 0.00 42.46 41.39 2hpq s ILE 103 CO 0.12 0.08 0.50 0.00 -1.91 0.00 0.00 174.94 173.72 2hpq s ALA 104 N -0.93 -1.24 -0.08 1.50 0.00 -0.06 -3.00 121.76 117.95 2hpq s ALA 104 Ca 0.06 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.31 2hpq s ALA 104 Cb -0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2hpq s ALA 104 CO 0.02 -0.26 -0.18 -0.51 0.00 0.00 0.00 175.76 174.84 2hpq s LEU 105 N -0.12 2.47 -0.06 0.00 1.43 0.64 -0.04 118.68 122.99 2hpq s LEU 105 Ca -0.03 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2hpq s LEU 105 Cb -0.03 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.70 2hpq s LEU 105 CO 0.02 0.25 -0.13 -0.04 0.23 0.00 0.00 176.35 176.68 2hpq s MET 106 N -0.16 1.75 -0.27 1.70 -1.94 -0.97 0.80 119.30 120.22 2hpq s MET 106 Ca -0.02 -0.46 -0.12 0.00 -1.71 0.00 0.00 55.69 53.38 2hpq s MET 106 Cb -0.14 -1.45 -0.05 0.00 2.01 0.00 0.00 34.83 35.21 2hpq s MET 106 CO 0.04 0.07 0.22 0.21 -0.01 0.00 0.00 175.02 175.55 2hpq s LYS 107 N 0.54 3.98 0.31 2.03 2.20 0.37 -1.88 119.74 127.30 2hpq s LYS 107 Ca -0.13 -0.24 -0.27 0.00 -0.36 0.00 0.00 55.97 54.97 2hpq s LYS 107 Cb -0.15 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 32.43 2hpq s LYS 107 CO 0.04 -0.16 0.98 -0.51 -0.36 0.00 0.00 175.35 175.33 2hpq s LEU 108 N 1.72 4.41 0.07 5.43 1.43 0.27 0.25 118.68 132.26 2hpq s LEU 108 Ca 0.09 1.95 -0.24 0.00 -1.03 0.00 0.00 54.13 54.90 2hpq s LEU 108 Cb -0.16 -3.89 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 2hpq s LEU 108 CO 0.10 -0.09 1.38 0.11 0.23 0.00 0.00 176.35 178.08 2hpq h LYS 109 N 3.39 -0.50 -6.50 1.70 1.57 -0.98 -3.42 116.57 111.83 2hpq h LYS 109 Ca -0.47 0.03 -0.67 0.00 -1.87 0.00 0.00 60.65 57.68 2hpq h LYS 109 Cb 1.20 0.11 -0.28 0.00 0.08 0.00 0.00 32.23 33.34 2hpq h LYS 109 CO 0.66 -0.33 -0.88 0.15 -0.57 0.00 0.00 179.45 178.48 2hpq s LYS 110 N -4.90 1.87 0.90 3.15 1.02 -1.26 -5.00 119.74 115.52 2hpq s LYS 110 Ca -0.11 -0.95 -0.10 0.00 0.02 0.00 0.00 55.97 54.82 2hpq s LYS 110 Cb 0.04 -1.90 0.14 0.00 -0.52 0.00 0.00 37.83 35.59 2hpq s LYS 110 CO 0.42 0.51 1.13 -1.25 -0.92 0.00 0.00 175.35 175.24 2hpq s PRO 111 N -0.84 1.13 0.13 -1.68 0.05 -1.26 -4.93 135.00 127.61 2hpq s PRO 111 Ca 0.10 1.43 -0.02 0.00 0.05 0.00 0.00 61.00 62.56 2hpq s PRO 111 Cb -0.10 -1.75 -0.05 0.00 0.05 0.00 0.00 34.50 32.66 2hpq s PRO 111 CO 0.00 -2.52 0.33 0.14 0.05 0.00 0.00 177.00 175.01 2hpq s VAL 112 N -2.69 5.24 -0.36 -0.36 -7.23 -0.50 -5.04 120.40 109.46 2hpq s VAL 112 Ca 0.66 -0.19 -0.13 0.00 -1.81 0.00 0.00 61.98 60.51 2hpq s VAL 112 Cb -0.22 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.07 2hpq s VAL 112 CO 0.58 0.01 0.24 0.00 -0.31 0.00 0.00 175.10 175.63 2hpq s ALA 113 N -1.67 3.44 0.32 1.32 0.00 -1.26 -4.89 121.76 119.03 2hpq s ALA 113 Ca 0.39 -1.52 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 2hpq s ALA 113 Cb -0.12 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.21 2hpq s ALA 113 CO 0.27 -1.16 1.28 -0.06 0.00 0.00 0.00 175.76 176.09 2hpq s PHE 114 N 1.68 3.13 0.00 0.00 0.08 -1.26 -4.95 117.98 116.66 2hpq s PHE 114 Ca 0.05 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2hpq s PHE 114 Cb -0.18 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 2hpq s PHE 114 CO 0.09 -1.66 0.00 -1.13 -0.10 0.00 0.00 175.22 172.42 2hpq n SER 115 N 0.86 1.39 0.19 1.36 3.41 -1.06 -4.95 113.62 114.82 2hpq n SER 115 Ca -0.00 -0.87 0.04 0.00 -0.26 0.00 0.00 58.87 57.78 2hpq n SER 115 Cb 0.42 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.75 2hpq n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2hpq h ASP 116 N 0.00 0.00 0.87 4.04 5.19 -1.97 -2.94 116.42 121.61 2hpq h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2hpq h ASP 116 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2hpq h ASP 116 CO 0.00 0.37 -0.46 -1.22 -3.12 0.00 0.00 179.24 174.81 2hpq n TYR 117 N -3.90 0.42 -3.78 4.55 4.01 -1.26 -4.84 117.16 112.36 2hpq n TYR 117 Ca -0.01 0.12 -0.29 0.00 -0.16 0.00 0.00 57.90 57.56 2hpq n TYR 117 Cb 0.43 -0.58 -0.16 0.00 -0.31 0.00 0.00 39.34 38.72 2hpq n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2hpq s ILE 118 N -3.10 0.87 -0.06 -0.72 1.01 -1.11 -4.27 121.20 113.81 2hpq s ILE 118 Ca 0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 2hpq s ILE 118 Cb 0.15 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.21 2hpq s ILE 118 CO 0.68 -0.36 0.26 -2.28 0.00 0.00 0.00 174.94 173.24 2hpq s HIS 119 N 1.67 -0.21 0.46 3.97 2.46 -0.94 -2.55 115.29 120.14 2hpq s HIS 119 Ca 0.02 0.47 -0.20 0.00 0.47 0.00 0.00 55.06 55.81 2hpq s HIS 119 Cb -0.18 0.08 -0.10 0.00 -0.13 0.00 0.00 32.58 32.25 2hpq s HIS 119 CO -0.14 -0.24 0.99 -1.25 -2.47 0.00 0.00 174.74 171.64 2hpq s PRO 120 N -0.51 4.03 0.75 2.88 0.04 -1.26 -2.04 135.00 138.89 2hpq s PRO 120 Ca -0.06 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 2hpq s PRO 120 Cb -0.04 -2.14 0.14 0.00 0.04 0.00 0.00 34.50 32.51 2hpq s PRO 120 CO 0.02 -0.22 1.03 0.54 0.04 0.00 0.00 177.00 178.41 2hpq s VAL 121 N -2.11 2.05 -0.10 -0.36 0.11 -0.28 -4.91 120.40 114.80 2hpq s VAL 121 Ca 0.64 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2hpq s VAL 121 Cb -0.12 -2.47 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 2hpq s VAL 121 CO 0.17 0.00 -0.21 0.00 -3.33 0.00 0.00 175.10 171.73 2hpq s LEU 123 N 0.22 4.12 0.53 0.00 1.43 -1.26 -1.31 118.68 122.42 2hpq s LEU 123 Ca -0.14 2.38 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 2hpq s LEU 123 Cb -0.17 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 41.90 2hpq s LEU 123 CO 0.07 -0.80 1.01 -2.16 0.23 0.00 0.00 176.35 174.70 2hpq s PRO 124 N -2.45 3.76 0.58 1.29 0.04 -1.25 -4.88 135.00 132.08 2hpq s PRO 124 Ca 0.60 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.77 2hpq s PRO 124 Cb -0.31 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.23 2hpq s PRO 124 CO 0.39 -0.44 0.80 -0.40 0.04 0.00 0.00 177.00 177.38 2hpq n ASP 125 N -1.66 1.92 -0.31 6.66 5.68 -1.26 -4.91 116.55 122.67 2hpq n ASP 125 Ca 0.07 -2.42 -0.04 0.00 -0.50 0.00 0.00 54.79 51.90 2hpq n ASP 125 Cb 0.54 -0.44 0.08 0.00 -1.14 0.00 0.00 41.12 40.15 2hpq n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2hpq h ARG 126 N 0.00 1.17 0.03 0.11 9.65 -2.02 -3.20 114.38 120.12 2hpq h ARG 126 Ca -0.27 -0.14 -0.19 0.00 -1.10 0.00 0.00 59.98 58.29 2hpq h ARG 126 Cb 1.19 -0.23 0.02 0.00 -1.39 0.00 0.00 29.97 29.56 2hpq h ARG 126 CO 0.37 0.86 -0.75 0.93 2.80 0.00 0.00 179.97 184.18 2hpq h GLU 127 N 1.17 0.45 0.00 0.20 5.08 -2.04 -2.54 114.58 116.90 2hpq h GLU 127 Ca 0.30 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2hpq h GLU 127 Cb 0.03 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2hpq h GLU 127 CO -0.05 1.18 0.00 2.41 -1.00 0.00 0.00 179.01 181.55 2hpq n THR 128 N -4.12 0.00 0.00 1.13 -1.04 -1.21 -0.04 114.28 109.00 2hpq n THR 128 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2hpq n THR 128 Cb 0.75 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 2hpq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hpq n ALA 129 N 0.41 0.00 0.09 2.41 0.00 -0.96 -0.07 120.51 122.39 2hpq n ALA 129 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2hpq n ALA 129 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2hpq n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hpq h SER 129 N 0.00 0.00 0.21 0.00 4.64 -0.73 -3.39 113.55 114.28 2hpq h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hpq h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2hpq h SER 129 CO 0.00 0.39 -1.09 0.18 -0.87 0.00 0.00 176.83 175.44 2hpq n LEU 129 N -2.94 0.67 -4.32 5.97 4.77 0.90 -4.78 117.00 117.28 2hpq n LEU 129 Ca -0.04 -0.21 -0.45 0.00 -0.03 0.00 0.00 56.01 55.28 2hpq n LEU 129 Cb 0.73 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 2hpq n LEU 129 CO 0.41 0.13 0.56 -0.76 -1.33 0.00 0.00 177.39 176.40 2hpq s LEU 130 N -3.53 6.49 -0.00 2.23 1.43 -1.26 -4.88 118.68 119.16 2hpq s LEU 130 Ca 0.05 -3.12 -0.04 0.00 -1.03 0.00 0.00 54.13 49.98 2hpq s LEU 130 Cb 0.15 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 2hpq s LEU 130 CO 0.83 -0.43 0.08 -1.10 0.23 0.00 0.00 176.35 175.96 2hpq s GLN 131 N -0.51 0.34 0.04 1.70 -0.21 -1.26 -4.99 119.66 114.78 2hpq s GLN 131 Ca 0.24 -0.33 -0.35 0.00 0.02 0.00 0.00 55.36 54.93 2hpq s GLN 131 Cb -0.10 0.14 -0.14 0.00 1.00 0.00 0.00 33.01 33.90 2hpq s GLN 131 CO -0.09 -0.07 1.59 0.00 -2.12 0.00 0.00 175.29 174.60 2hpq n ALA 132 N 1.87 0.43 0.00 6.09 0.00 -1.26 -1.26 120.51 126.38 2hpq n ALA 132 Ca -0.21 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2hpq n ALA 132 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2hpq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hpq n GLY 133 N 3.45 3.44 3.64 0.00 0.00 -0.45 -4.97 105.19 110.30 2hpq n GLY 133 Ca 0.20 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 2hpq n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hpq n TYR 134 N 0.00 0.90 -5.02 1.61 4.01 -0.39 -4.51 117.16 113.76 2hpq n TYR 134 Ca 0.00 0.39 -0.32 0.00 -0.16 0.00 0.00 57.90 57.81 2hpq n TYR 134 Cb 0.00 -2.09 -0.14 0.00 -0.31 0.00 0.00 39.34 36.80 2hpq n TYR 134 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2hpq s LYS 135 N -3.68 2.59 0.54 -0.72 1.02 -1.26 0.12 119.74 118.34 2hpq s LYS 135 Ca 0.73 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.98 2hpq s LYS 135 Cb -0.32 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.70 2hpq s LYS 135 CO 0.51 0.50 0.25 0.41 -0.92 0.00 0.00 175.35 176.10 2hpq n GLY 136 N 2.65 3.06 2.91 -3.33 0.00 -0.32 -4.84 105.19 105.32 2hpq n GLY 136 Ca -0.17 -2.33 -0.25 0.00 0.00 0.00 0.00 46.02 43.27 2hpq n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hpq s ARG 137 N -4.11 1.34 0.03 1.61 3.52 0.82 -2.31 118.95 119.84 2hpq s ARG 137 Ca 0.19 -0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 2hpq s ARG 137 Cb -0.02 -1.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.98 2hpq s ARG 137 CO 0.12 -0.18 0.23 0.08 -0.81 0.00 0.00 175.30 174.75 2hpq s VAL 138 N 1.39 5.36 -0.03 7.11 1.01 -0.10 -2.47 120.40 132.66 2hpq s VAL 138 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2hpq s VAL 138 Cb -0.13 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2hpq s VAL 138 CO -0.04 0.24 0.08 -0.89 0.00 0.00 0.00 175.10 174.50 2hpq s THR 139 N -1.42 -0.02 0.10 3.92 2.01 -1.26 -1.82 115.64 117.15 2hpq s THR 139 Ca 0.31 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.12 2hpq s THR 139 Cb -0.13 -0.13 0.09 0.00 0.01 0.00 0.00 72.50 72.34 2hpq s THR 139 CO 0.22 0.02 1.13 -0.83 -0.69 0.00 0.00 174.62 174.47 2hpq s GLY 140 N 0.36 -0.10 -0.01 4.40 0.00 -0.72 -4.57 107.32 106.68 2hpq s GLY 140 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.73 2hpq s GLY 140 CO -0.01 2.31 0.92 0.79 0.00 0.00 0.00 173.10 177.11 2hpq n TRP 141 N -0.67 0.00 -2.80 1.90 8.01 -1.26 -0.49 117.44 122.13 2hpq n TRP 141 Ca -0.03 -0.44 -0.22 0.00 -1.31 0.00 0.00 57.50 55.50 2hpq n TRP 141 Cb 0.60 -0.05 0.09 0.00 -2.01 0.00 0.00 31.31 29.94 2hpq n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2hpq s GLY 142 N -0.99 1.75 -0.02 6.99 0.00 -1.26 -4.45 107.32 109.34 2hpq s GLY 142 Ca 0.03 -1.93 -0.11 0.00 0.00 0.00 0.00 44.72 42.71 2hpq s GLY 142 CO 0.00 -1.41 0.31 0.70 0.00 0.00 0.00 173.10 172.70 2hpq n ASN 143 N -2.55 0.06 0.11 1.64 4.13 -0.82 -1.01 115.26 116.81 2hpq n ASN 143 Ca 0.15 0.31 0.12 0.00 1.68 0.00 0.00 54.58 56.84 2hpq n ASN 143 Cb 0.61 -0.25 0.01 0.00 -1.54 0.00 0.00 39.78 38.61 2hpq n ASN 143 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2hpq h LEU 144 N 0.91 0.00 -7.71 3.41 3.38 -1.73 -0.45 115.31 113.12 2hpq h LEU 144 Ca -0.13 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.67 2hpq h LEU 144 Cb 0.38 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.91 2hpq h LEU 144 CO 0.19 0.00 -0.53 -0.75 0.09 0.00 0.00 178.44 177.45 2hpq s LYS 145 N -3.35 0.36 0.14 1.13 2.47 -1.26 -4.39 119.74 114.83 2hpq s LYS 145 Ca -0.00 -0.21 -0.27 0.00 -1.56 0.00 0.00 55.97 53.93 2hpq s LYS 145 Cb 0.09 0.15 -0.03 0.00 -1.46 0.00 0.00 37.83 36.58 2hpq s LYS 145 CO 0.78 -0.08 1.60 1.49 0.16 0.00 0.00 175.35 179.30 2hpq h GLU 146 N 4.88 -0.42 -2.47 4.03 4.81 -1.91 -3.43 114.58 120.06 2hpq h GLU 146 Ca -0.29 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 2hpq h GLU 146 Cb 1.20 0.10 -0.23 0.00 0.63 0.00 0.00 28.75 30.44 2hpq h GLU 146 CO 0.41 -0.28 -0.11 -0.08 -0.73 0.00 0.00 179.01 178.22 2hpq s THR 147 N -5.95 -0.00 0.00 0.32 -1.32 -1.26 -4.98 115.64 102.45 2hpq s THR 147 Ca -0.15 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2hpq s THR 147 Cb 0.10 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 2hpq s THR 147 CO 0.65 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.85 2hpq n TRP 148 N 2.94 0.00 0.00 9.09 5.03 -1.26 -5.19 117.44 128.05 2hpq n TRP 148 Ca -0.14 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.39 2hpq n TRP 148 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.84 2hpq n TRP 148 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2hpq n GLY 150 N 0.00 0.21 3.02 6.99 0.00 -1.26 -5.02 105.19 109.13 2hpq n GLY 150 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2hpq n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hpq s GLN 151 N 0.00 0.24 0.47 1.61 -0.21 -1.26 -2.79 119.66 117.72 2hpq s GLN 151 Ca 0.00 -0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.12 2hpq s GLN 151 Cb 0.00 0.10 -0.07 0.00 1.00 0.00 0.00 33.01 34.04 2hpq s GLN 151 CO 0.00 -0.04 1.12 -1.25 -2.12 0.00 0.00 175.29 173.00 2hpq s PRO 152 N -0.42 3.73 0.02 2.91 0.04 -1.26 -4.87 135.00 135.15 2hpq s PRO 152 Ca -0.05 1.64 0.23 0.00 0.04 0.00 0.00 61.00 62.86 2hpq s PRO 152 Cb -0.03 -2.29 0.16 0.00 0.04 0.00 0.00 34.50 32.38 2hpq s PRO 152 CO 0.00 -0.54 1.15 -1.13 0.04 0.00 0.00 177.00 176.53 2hpq n SER 153 N -0.68 0.67 -3.65 6.66 3.41 -1.26 -4.58 113.62 114.20 2hpq n SER 153 Ca 0.08 -0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.16 2hpq n SER 153 Cb 0.50 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 2hpq n SER 153 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2hpq s VAL 154 N -3.06 0.02 0.05 -3.33 -7.23 -1.26 -2.65 120.40 102.93 2hpq s VAL 154 Ca 0.08 -0.56 -0.36 0.00 -1.81 0.00 0.00 61.98 59.33 2hpq s VAL 154 Cb 0.16 -1.41 -0.16 0.00 0.56 0.00 0.00 36.38 35.53 2hpq s VAL 154 CO 0.78 -0.09 1.47 -0.11 -0.31 0.00 0.00 175.10 176.83 2hpq n LEU 155 N -0.35 2.15 -4.71 1.32 7.94 -0.70 -4.80 117.00 117.86 2hpq n LEU 155 Ca -0.12 1.10 -0.35 0.00 -1.11 0.00 0.00 56.01 55.53 2hpq n LEU 155 Cb 0.63 -1.25 -0.09 0.00 0.53 0.00 0.00 43.42 43.24 2hpq n LEU 155 CO 0.15 -0.75 -0.27 -1.10 -1.11 0.00 0.00 177.39 174.31 2hpq s GLN 156 N 1.12 3.29 0.04 1.96 -1.52 0.36 0.16 119.66 125.05 2hpq s GLN 156 Ca 0.85 -0.34 0.07 0.00 -1.95 0.00 0.00 55.36 53.99 2hpq s GLN 156 Cb -0.89 -2.96 -0.02 0.00 -0.22 0.00 0.00 33.01 28.92 2hpq s GLN 156 CO 0.47 0.62 -0.20 0.14 -0.25 0.00 0.00 175.29 176.07 2hpq s VAL 157 N -0.64 1.64 -0.01 1.09 -7.23 0.32 -1.76 120.40 113.82 2hpq s VAL 157 Ca 0.11 -1.16 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 2hpq s VAL 157 Cb -0.12 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.40 2hpq s VAL 157 CO 0.02 0.22 0.11 0.54 -0.31 0.00 0.00 175.10 175.68 2hpq s VAL 158 N -0.77 0.07 -0.16 1.32 0.11 -0.76 -1.15 120.40 119.06 2hpq s VAL 158 Ca 0.07 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 2hpq s VAL 158 Cb -0.09 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2hpq s VAL 158 CO 0.01 -0.32 -0.18 0.20 -3.33 0.00 0.00 175.10 171.49 2hpq s ASN 159 N -1.09 2.91 0.07 3.54 0.01 -1.26 -0.93 114.94 118.19 2hpq s ASN 159 Ca -0.12 -0.56 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 2hpq s ASN 159 Cb -0.07 -1.33 -0.03 0.00 0.41 0.00 0.00 41.25 40.23 2hpq s ASN 159 CO 0.01 -0.01 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.62 2hpq s LEU 160 N 1.26 2.22 0.49 0.60 1.43 -0.98 -4.91 118.68 118.79 2hpq s LEU 160 Ca 0.02 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 2hpq s LEU 160 Cb -0.13 -0.96 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 2hpq s LEU 160 CO -0.09 0.13 0.91 -2.16 0.23 0.00 0.00 176.35 175.36 2hpq s PRO 161 N -1.48 3.84 0.26 1.29 0.04 -1.26 -1.17 135.00 136.52 2hpq s PRO 161 Ca 0.07 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 2hpq s PRO 161 Cb -0.09 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2hpq s PRO 161 CO 0.03 -0.22 1.03 0.42 0.04 0.00 0.00 177.00 178.29 2hpq s ILE 162 N -2.61 3.75 -0.11 0.56 1.01 0.12 -0.56 121.20 123.37 2hpq s ILE 162 Ca 0.56 1.77 0.01 0.00 0.00 0.00 0.00 60.65 62.98 2hpq s ILE 162 Cb -0.10 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2hpq s ILE 162 CO 0.34 0.42 -0.14 -0.69 0.00 0.00 0.00 174.94 174.87 2hpq s VAL 163 N -1.17 2.99 0.17 2.92 1.01 -1.04 -1.34 120.40 123.94 2hpq s VAL 163 Ca 0.43 -0.70 -0.32 0.00 0.00 0.00 0.00 61.98 61.38 2hpq s VAL 163 Cb -0.29 -2.22 -0.16 0.00 0.00 0.00 0.00 36.38 33.70 2hpq s VAL 163 CO 0.37 0.54 1.05 -0.62 0.00 0.00 0.00 175.10 176.44 2hpq n GLU 164 N 3.19 0.90 -0.24 2.72 4.71 -1.26 -4.52 120.64 126.14 2hpq n GLU 164 Ca -0.18 0.32 0.04 0.00 -0.01 0.00 0.00 57.16 57.33 2hpq n GLU 164 Cb 0.53 -1.73 0.15 0.00 -1.01 0.00 0.00 31.44 29.37 2hpq n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hpq h ARG 165 N 2.84 0.14 0.11 3.49 3.08 -1.98 0.26 114.38 122.32 2hpq h ARG 165 Ca -0.41 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.64 2hpq h ARG 165 Cb 1.37 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 2hpq h ARG 165 CO 0.67 0.09 -0.24 -1.35 -1.07 0.00 0.00 179.97 178.06 2hpq h PRO 166 N 0.14 -0.43 -0.85 0.04 0.11 -1.96 0.50 132.00 129.55 2hpq h PRO 166 Ca 0.39 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.59 2hpq h PRO 166 Cb 0.67 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.82 2hpq h PRO 166 CO -0.59 -0.29 0.56 0.28 -0.21 0.00 0.00 178.00 177.75 2hpq h VAL 167 N -0.45 1.07 -0.08 3.15 2.07 -1.38 -0.16 116.25 120.48 2hpq h VAL 167 Ca 0.03 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2hpq h VAL 167 Cb 0.47 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2hpq h VAL 167 CO -0.14 0.18 0.05 0.00 0.02 0.00 0.00 177.57 177.67 2hpq h LYS 169 N 0.08 0.00 -0.07 0.00 1.57 0.68 0.16 116.57 118.99 2hpq h LYS 169 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2hpq h LYS 169 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2hpq h LYS 169 CO -0.01 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2hpq n ASP 170 N -3.31 2.31 0.17 0.86 8.00 -0.14 -4.15 116.55 120.28 2hpq n ASP 170 Ca -0.03 -1.65 0.02 0.00 0.71 0.00 0.00 54.79 53.84 2hpq n ASP 170 Cb 0.09 -0.04 0.28 0.00 -0.02 0.00 0.00 41.12 41.44 2hpq n ASP 170 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2hpq h SER 171 N 2.79 0.00 -5.12 -2.24 0.87 0.22 -3.47 113.55 106.59 2hpq h SER 171 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2hpq h SER 171 Cb 0.62 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 2hpq h SER 171 CO 0.00 0.47 0.10 0.28 -0.53 0.00 0.00 176.83 177.15 2hpq s THR 172 N -3.85 0.00 -1.13 2.23 -1.32 -1.23 -4.83 115.64 105.51 2hpq s THR 172 Ca -0.02 -1.18 0.25 0.00 -1.21 0.00 0.00 61.69 59.54 2hpq s THR 172 Cb 0.13 -2.34 0.28 0.00 -1.51 0.00 0.00 72.50 69.06 2hpq s THR 172 CO 0.73 0.00 1.81 0.54 -2.21 0.00 0.00 174.62 175.49 2hpq n ARG 173 N -0.47 0.11 -3.32 7.08 1.74 -1.26 -4.88 116.66 115.67 2hpq n ARG 173 Ca -0.04 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 2hpq n ARG 173 Cb 0.60 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.50 2hpq n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2hpq s ILE 174 N -2.87 4.92 -0.47 0.55 1.01 -1.26 -5.00 121.20 118.08 2hpq s ILE 174 Ca 0.16 0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.94 2hpq s ILE 174 Cb 0.16 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 2hpq s ILE 174 CO 0.43 -0.19 1.68 -0.60 0.00 0.00 0.00 174.94 176.26 2hpq s ARG 175 N -3.13 3.17 -0.05 2.79 3.52 -1.26 -4.96 118.95 119.02 2hpq s ARG 175 Ca 0.47 0.94 -0.22 0.00 -0.13 0.00 0.00 55.73 56.79 2hpq s ARG 175 Cb -0.11 -4.21 -0.04 0.00 -1.56 0.00 0.00 34.95 29.03 2hpq s ARG 175 CO 0.24 -2.07 0.65 0.96 -0.81 0.00 0.00 175.30 174.27 2hpq s ILE 176 N 7.13 5.02 0.00 4.11 -4.36 -1.26 -4.86 121.20 126.97 2hpq s ILE 176 Ca 0.68 1.34 0.00 0.00 -0.26 0.00 0.00 60.65 62.41 2hpq s ILE 176 Cb -0.16 -3.99 0.00 0.00 1.25 0.00 0.00 42.46 39.56 2hpq s ILE 176 CO 0.28 0.30 0.00 0.35 0.24 0.00 0.00 174.94 176.11 2hpq n THR 177 N 3.49 0.00 1.54 8.37 -2.24 -1.26 -5.03 114.28 119.15 2hpq n THR 177 Ca -0.03 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 2hpq n THR 177 Cb 0.51 -0.59 0.58 0.00 -2.10 0.00 0.00 70.33 68.74 2hpq n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hpq n ASP 178 N -2.14 1.11 -1.37 3.42 8.00 -1.26 -3.77 116.55 120.54 2hpq n ASP 178 Ca 0.00 -1.26 -0.06 0.00 0.71 0.00 0.00 54.79 54.18 2hpq n ASP 178 Cb 0.00 0.01 0.21 0.00 -0.02 0.00 0.00 41.12 41.32 2hpq n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2hpq n ASN 179 N -0.21 3.06 -3.64 -2.24 3.02 -1.26 -4.85 115.26 109.13 2hpq n ASN 179 Ca 0.19 -3.60 -0.15 0.00 -0.03 0.00 0.00 54.58 50.98 2hpq n ASN 179 Cb 0.31 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.74 2hpq n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hpq s MET 180 N -3.18 0.88 0.25 3.52 0.23 -1.25 0.03 119.30 119.78 2hpq s MET 180 Ca 0.47 -0.03 0.02 0.00 -1.03 0.00 0.00 55.69 55.13 2hpq s MET 180 Cb 0.41 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 34.06 2hpq s MET 180 CO 0.04 -0.27 0.05 -0.59 -2.03 0.00 0.00 175.02 172.22 2hpq s PHE 181 N -1.47 1.58 0.00 3.16 -0.12 0.56 -4.76 117.98 116.93 2hpq s PHE 181 Ca -0.11 -1.05 0.03 0.00 -0.05 0.00 0.00 56.93 55.75 2hpq s PHE 181 Cb -0.02 -0.94 -0.01 0.00 -0.63 0.00 0.00 43.02 41.42 2hpq s PHE 181 CO 0.06 -0.18 -0.09 0.00 -0.05 0.00 0.00 175.22 174.96 2hpq s ALA 183 N -0.38 1.01 0.00 0.00 0.00 -1.03 -2.49 121.76 118.88 2hpq s ALA 183 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2hpq s ALA 183 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2hpq s ALA 183 CO -0.00 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2hpq n GLY 184 N 1.07 3.31 3.78 0.00 0.00 0.27 -2.98 105.19 110.65 2hpq n GLY 184 Ca -0.20 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 2hpq n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hpq s TYR 184 N -2.00 3.74 0.79 1.61 2.02 -1.26 -4.62 117.35 117.63 2hpq s TYR 184 Ca 0.00 1.70 -0.11 0.00 -0.37 0.00 0.00 57.07 58.29 2hpq s TYR 184 Cb 0.00 -2.85 0.06 0.00 -0.40 0.00 0.00 41.96 38.77 2hpq s TYR 184 CO 0.00 0.30 1.08 0.15 -1.57 0.00 0.00 175.55 175.51 2hpq s LYS 185 N -1.83 2.17 0.03 -0.62 -0.14 -1.26 -4.73 119.74 113.36 2hpq s LYS 185 Ca 0.46 0.94 -0.23 0.00 -1.36 0.00 0.00 55.97 55.78 2hpq s LYS 185 Cb -0.20 -1.90 -0.16 0.00 -1.68 0.00 0.00 37.83 33.89 2hpq s LYS 185 CO 0.24 -1.64 1.46 -1.00 -0.76 0.00 0.00 175.35 173.65 2hpq h PRO 186 N -1.11 0.11 0.00 -1.68 0.13 -1.96 -2.65 132.00 124.83 2hpq h PRO 186 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2hpq h PRO 186 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2hpq h PRO 186 CO 0.55 0.39 0.00 -0.40 -0.23 0.00 0.00 178.00 178.31 2hpq n ASP 186 N -4.86 0.00 0.03 1.44 5.68 -1.26 -2.84 116.55 114.73 2hpq n ASP 186 Ca -0.07 -0.16 0.13 0.00 -0.50 0.00 0.00 54.79 54.20 2hpq n ASP 186 Cb 0.19 -0.14 0.45 0.00 -1.14 0.00 0.00 41.12 40.48 2hpq n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2hpq n GLU 186 N -1.14 0.08 -3.93 0.11 1.02 -1.00 -4.98 120.64 110.81 2hpq n GLU 186 Ca 0.08 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.99 2hpq n GLU 186 Cb 0.07 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 29.90 2hpq n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hpq n GLY 186 N 1.44 -0.42 3.36 0.62 0.00 -1.13 -4.98 105.19 104.08 2hpq n GLY 186 Ca 0.06 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 2hpq n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hpq s LYS 186 N -6.55 1.16 0.34 1.61 1.02 -1.26 -5.18 119.74 110.87 2hpq s LYS 186 Ca 0.14 -0.66 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 2hpq s LYS 186 Cb -0.06 0.51 0.01 0.00 -0.52 0.00 0.00 37.83 37.77 2hpq s LYS 186 CO 0.90 -0.47 0.52 -0.98 -0.92 0.00 0.00 175.35 174.39 2hpq s ARG 187 N -3.80 1.93 0.00 1.68 1.70 -1.26 -4.77 118.95 114.43 2hpq s ARG 187 Ca 0.03 -1.68 0.00 0.00 -0.47 0.00 0.00 55.73 53.61 2hpq s ARG 187 Cb 0.01 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2hpq s ARG 187 CO -0.11 -0.81 0.00 0.41 -1.08 0.00 0.00 175.30 173.70 2hpq n GLY 188 N -0.54 4.86 3.59 3.88 0.00 -1.26 -4.92 105.19 110.81 2hpq n GLY 188 Ca -0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 2hpq n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hpq s ASP 189 N 0.00 -0.40 0.66 1.61 2.15 -0.32 -4.63 116.67 115.74 2hpq s ASP 189 Ca 0.00 -0.21 -0.03 0.00 0.43 0.00 0.00 52.55 52.74 2hpq s ASP 189 Cb 0.00 0.58 0.07 0.00 -0.30 0.00 0.00 42.92 43.27 2hpq s ASP 189 CO 0.00 -1.00 0.93 0.00 -0.17 0.00 0.00 175.17 174.92 2hpq s ALA 190 N -3.63 3.53 0.36 3.66 0.00 -1.26 0.17 121.76 124.58 2hpq s ALA 190 Ca 0.06 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 2hpq s ALA 190 Cb -0.02 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.84 2hpq s ALA 190 CO -0.05 -1.15 0.63 0.00 0.00 0.00 0.00 175.76 175.19 2hpq n GLU 192 N -0.54 0.16 0.00 0.00 4.71 -1.26 -1.54 120.64 122.17 2hpq n GLU 192 Ca -0.04 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 2hpq n GLU 192 Cb 0.61 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 2hpq n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hpq n GLY 193 N 1.81 1.71 0.11 0.62 0.00 -1.26 -1.94 105.19 106.24 2hpq n GLY 193 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2hpq n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hpq h ASP 194 N 0.00 0.41 -0.73 1.61 3.32 -1.61 -3.38 116.42 116.04 2hpq h ASP 194 Ca 0.00 -0.50 -0.61 0.00 0.02 0.00 0.00 57.03 55.93 2hpq h ASP 194 Cb 0.00 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.44 2hpq h ASP 194 CO 0.00 1.41 0.27 -1.20 -1.72 0.00 0.00 179.24 178.00 2hpq n SER 195 N -3.49 0.43 0.00 6.45 7.64 -1.26 -0.95 113.62 122.44 2hpq n SER 195 Ca -0.13 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.61 2hpq n SER 195 Cb 1.04 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2hpq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hpq n GLY 196 N 1.99 2.80 3.38 0.23 0.00 -1.10 -1.38 105.19 111.12 2hpq n GLY 196 Ca 0.19 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 2hpq n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpq n GLY 197 N 0.00 -2.12 3.82 -0.02 0.00 -0.13 -3.88 105.19 102.86 2hpq n GLY 197 Ca 0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 2hpq n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hpq s PRO 198 N -2.47 4.24 -0.53 1.61 0.04 -1.26 -1.79 135.00 134.84 2hpq s PRO 198 Ca 0.61 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 2hpq s PRO 198 Cb -0.35 -2.36 0.14 0.00 0.04 0.00 0.00 34.50 31.97 2hpq s PRO 198 CO 0.62 0.08 0.37 0.12 0.04 0.00 0.00 177.00 178.23 2hpq s PHE 199 N -2.02 3.50 0.22 0.56 2.19 0.44 -4.12 117.98 118.75 2hpq s PHE 199 Ca 0.58 -2.37 0.05 0.00 0.33 0.00 0.00 56.93 55.51 2hpq s PHE 199 Cb -0.11 -3.33 -0.03 0.00 -1.31 0.00 0.00 43.02 38.24 2hpq s PHE 199 CO 0.16 -0.93 0.31 0.14 1.83 0.00 0.00 175.22 176.73 2hpq s VAL 200 N 0.67 5.11 0.01 3.12 -7.23 -1.03 -0.25 120.40 120.81 2hpq s VAL 200 Ca 0.12 -0.99 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2hpq s VAL 200 Cb -0.22 -3.74 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 2hpq s VAL 200 CO -0.03 -0.27 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.43 2hpq s MET 201 N -3.76 0.12 -0.25 4.82 -1.94 0.16 -0.13 119.30 118.31 2hpq s MET 201 Ca 0.34 -0.23 -0.12 0.00 -1.71 0.00 0.00 55.69 53.97 2hpq s MET 201 Cb -0.09 0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.74 2hpq s MET 201 CO 0.28 -0.02 0.22 0.21 -0.01 0.00 0.00 175.02 175.70 2hpq s LYS 202 N -0.56 4.03 0.22 2.03 2.20 -1.26 -0.07 119.74 126.33 2hpq s LYS 202 Ca -0.06 -0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 2hpq s LYS 202 Cb -0.04 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.59 2hpq s LYS 202 CO -0.00 -0.08 1.36 0.45 -0.36 0.00 0.00 175.35 176.72 2hpq s SER 203 N 1.38 6.80 0.07 1.43 0.15 0.97 -4.89 113.70 119.61 2hpq s SER 203 Ca 0.09 2.52 -0.20 0.00 0.70 0.00 0.00 55.95 59.06 2hpq s SER 203 Cb -0.15 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 61.44 2hpq s SER 203 CO 0.08 -0.59 1.54 1.55 1.20 0.00 0.00 173.24 177.01 2hpq h PRO 204 N 5.16 0.29 0.00 5.44 0.13 -1.97 0.24 132.00 141.29 2hpq h PRO 204 Ca -0.45 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 2hpq h PRO 204 Cb 1.22 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hpq h PRO 204 CO 0.77 0.46 -0.13 0.74 -0.23 0.00 0.00 178.00 179.61 2hpq h PHE 204 N 0.08 0.00 0.00 1.56 0.04 -1.99 -3.36 116.94 113.27 2hpq h PHE 204 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2hpq h PHE 204 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 2hpq h PHE 204 CO 0.02 0.13 0.00 0.27 -0.60 0.00 0.00 178.31 178.13 2hpq n ASN 204 N -4.13 0.00 -2.55 2.17 2.04 -1.23 -5.06 115.26 106.50 2hpq n ASN 204 Ca -0.02 0.00 -0.19 0.00 -0.44 0.00 0.00 54.58 53.93 2hpq n ASN 204 Cb 0.21 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.49 2hpq n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2hpq n ASN 205 N 0.00 -5.45 -4.69 0.53 4.13 0.85 -4.96 115.26 105.67 2hpq n ASN 205 Ca 0.00 -0.23 -0.23 0.00 1.68 0.00 0.00 54.58 55.81 2hpq n ASN 205 Cb 0.00 -4.31 -0.07 0.00 -1.54 0.00 0.00 39.78 33.86 2hpq n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2hpq s ARG 206 N -5.47 2.37 -0.20 3.52 3.00 -1.26 -4.77 118.95 116.14 2hpq s ARG 206 Ca 0.24 -1.43 -0.18 0.00 0.00 0.00 0.00 55.73 54.35 2hpq s ARG 206 Cb -0.10 -2.20 -0.03 0.00 0.00 0.00 0.00 34.95 32.62 2hpq s ARG 206 CO 0.29 0.29 0.51 -1.58 0.00 0.00 0.00 175.30 174.81 2hpq s TRP 207 N -2.34 3.37 -0.17 -0.53 0.52 -1.26 -0.02 118.94 118.51 2hpq s TRP 207 Ca 0.33 0.76 -0.01 0.00 0.02 0.00 0.00 56.10 57.20 2hpq s TRP 207 Cb -0.05 -2.66 -0.01 0.00 -1.15 0.00 0.00 33.47 29.60 2hpq s TRP 207 CO 0.21 -0.09 -0.11 0.71 0.02 0.00 0.00 176.95 177.69 2hpq s TYR 208 N 1.61 2.86 -0.14 -1.98 1.51 0.90 -2.36 117.35 119.74 2hpq s TYR 208 Ca 0.24 -0.89 -0.29 0.00 -1.01 0.00 0.00 57.07 55.11 2hpq s TYR 208 Cb -0.15 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 2hpq s TYR 208 CO 0.09 -0.42 1.22 -1.14 -1.11 0.00 0.00 175.55 174.20 2hpq s GLN 209 N 0.90 4.27 -0.05 -0.62 0.74 -0.42 -0.67 119.66 123.80 2hpq s GLN 209 Ca -0.03 1.63 0.15 0.00 0.05 0.00 0.00 55.36 57.17 2hpq s GLN 209 Cb -0.15 -3.69 -0.22 0.00 1.10 0.00 0.00 33.01 30.04 2hpq s GLN 209 CO -0.00 -0.62 0.26 -1.33 -0.55 0.00 0.00 175.29 173.05 2hpq n MET 210 N 6.17 0.79 -3.94 1.67 2.81 0.66 -3.89 117.12 121.39 2hpq n MET 210 Ca 0.13 -0.11 -0.10 0.00 -1.81 0.00 0.00 57.70 55.81 2hpq n MET 210 Cb 0.45 -1.37 -0.02 0.00 -0.71 0.00 0.00 33.22 31.57 2hpq n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2hpq s GLY 211 N -4.06 0.60 0.08 3.03 0.00 -0.92 -1.60 107.32 104.45 2hpq s GLY 211 Ca -0.06 -0.89 0.08 0.00 0.00 0.00 0.00 44.72 43.85 2hpq s GLY 211 CO 0.63 -0.53 -0.21 -0.42 0.00 0.00 0.00 173.10 172.58 2hpq s ILE 212 N -3.26 1.70 -0.29 0.90 1.01 -1.21 -0.42 121.20 119.64 2hpq s ILE 212 Ca 0.20 -1.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 2hpq s ILE 212 Cb -0.03 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 2hpq s ILE 212 CO 0.12 0.02 1.53 -0.69 0.00 0.00 0.00 174.94 175.92 2hpq s VAL 213 N -1.05 3.81 -0.00 2.92 1.01 -0.74 -2.21 120.40 124.14 2hpq s VAL 213 Ca 0.07 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 2hpq s VAL 213 Cb -0.10 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2hpq s VAL 213 CO 0.03 -0.43 -0.00 -0.24 0.00 0.00 0.00 175.10 174.46 2hpq n SER 214 N 8.57 0.02 -1.04 3.32 2.88 -1.05 -2.72 113.62 123.59 2hpq n SER 214 Ca 0.18 0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2hpq n SER 214 Cb 0.46 -0.50 -0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2hpq n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2hpq n TRP 215 N -2.41 -0.59 0.00 0.66 4.27 -1.16 -4.92 117.44 113.29 2hpq n TRP 215 Ca -0.00 -0.05 0.00 0.00 -3.89 0.00 0.00 57.50 53.56 2hpq n TRP 215 Cb 0.00 0.01 0.00 0.00 -1.36 0.00 0.00 31.31 29.97 2hpq n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2hpq n GLY 216 N -0.01 2.69 3.36 -1.67 0.00 -1.26 -1.92 105.19 106.37 2hpq n GLY 216 Ca -0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 2hpq n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hpq s GLU 217 N -2.00 3.46 1.70 1.61 2.02 -1.26 -4.96 118.70 119.27 2hpq s GLU 217 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2hpq s GLU 217 Cb 0.00 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2hpq s GLU 217 CO 0.00 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.57 2hpq n GLY 219 N 4.59 -1.51 3.15 -1.39 0.00 -1.26 -4.73 105.19 104.04 2hpq n GLY 219 Ca -0.18 -1.42 0.04 0.00 0.00 0.00 0.00 46.02 44.47 2hpq n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpq n ASP 221 N 5.37 -2.28 -4.78 0.00 2.03 -1.26 -4.41 116.55 111.22 2hpq n ASP 221 Ca 0.03 0.02 -0.37 0.00 0.52 0.00 0.00 54.79 54.99 2hpq n ASP 221 Cb 0.54 -0.82 -0.04 0.00 -0.72 0.00 0.00 41.12 40.08 2hpq n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2hpq s ARG 221 N -3.09 4.22 0.35 -0.67 0.52 -1.26 -4.96 118.95 114.06 2hpq s ARG 221 Ca 0.00 1.57 -0.27 0.00 -0.52 0.00 0.00 55.73 56.51 2hpq s ARG 221 Cb 0.00 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.74 2hpq s ARG 221 CO 0.00 -0.11 1.23 -0.51 0.02 0.00 0.00 175.30 175.94 2hpq s ASP 222 N -1.45 6.71 0.00 0.23 1.01 -1.26 -3.05 116.67 118.87 2hpq s ASP 222 Ca 0.56 2.52 0.00 0.00 0.71 0.00 0.00 52.55 56.34 2hpq s ASP 222 Cb -0.24 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.06 2hpq s ASP 222 CO 0.30 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.73 2hpq n GLY 223 N 0.80 0.51 3.56 0.21 0.00 -1.26 -4.96 105.19 104.05 2hpq n GLY 223 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2hpq n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hpq s LYS 224 N -0.51 3.23 0.38 1.61 -0.14 -1.17 -4.76 119.74 118.39 2hpq s LYS 224 Ca 0.00 -0.51 0.08 0.00 -1.36 0.00 0.00 55.97 54.18 2hpq s LYS 224 Cb 0.00 -2.78 -0.06 0.00 -1.68 0.00 0.00 37.83 33.31 2hpq s LYS 224 CO 0.00 0.47 0.07 0.71 -0.76 0.00 0.00 175.35 175.84 2hpq s TYR 225 N -0.26 2.56 0.02 3.18 1.51 -1.26 -4.68 117.35 118.42 2hpq s TYR 225 Ca 0.04 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 2hpq s TYR 225 Cb -0.13 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 2hpq s TYR 225 CO 0.02 0.37 0.04 0.20 -1.11 0.00 0.00 175.55 175.07 2hpq s GLY 226 N -3.78 1.94 0.02 0.71 0.00 -1.16 -4.54 107.32 100.51 2hpq s GLY 226 Ca 0.37 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 44.14 2hpq s GLY 226 CO 0.20 -0.84 0.14 -1.36 0.00 0.00 0.00 173.10 171.24 2hpq s PHE 227 N -1.18 3.40 0.01 1.90 0.40 -0.81 -2.45 117.98 119.25 2hpq s PHE 227 Ca 0.22 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 2hpq s PHE 227 Cb -0.12 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 2hpq s PHE 227 CO 0.14 0.58 -0.08 0.71 0.70 0.00 0.00 175.22 177.27 2hpq s TYR 228 N -1.34 0.71 0.37 0.36 1.51 -0.42 -2.54 117.35 116.00 2hpq s TYR 228 Ca 0.28 -0.21 -0.27 0.00 -1.01 0.00 0.00 57.07 55.86 2hpq s TYR 228 Cb -0.12 -0.44 -0.09 0.00 -0.11 0.00 0.00 41.96 41.19 2hpq s TYR 228 CO 0.20 -0.02 1.27 0.99 -1.11 0.00 0.00 175.55 176.89 2hpq s THR 229 N -0.45 2.78 -0.81 -0.71 2.01 -0.94 -0.32 115.64 117.19 2hpq s THR 229 Ca 0.00 0.72 -0.25 0.00 0.31 0.00 0.00 61.69 62.48 2hpq s THR 229 Cb -0.05 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 69.07 2hpq s THR 229 CO 0.00 0.13 1.27 -2.28 -0.69 0.00 0.00 174.62 173.05 2hpq s HIS 230 N -1.24 2.45 0.23 4.92 2.46 0.10 -3.30 115.29 120.91 2hpq s HIS 230 Ca 0.54 -0.41 -0.08 0.00 0.47 0.00 0.00 55.06 55.58 2hpq s HIS 230 Cb -0.37 -4.58 0.24 0.00 -0.13 0.00 0.00 32.58 27.74 2hpq s HIS 230 CO 0.48 -1.95 1.87 0.28 -2.47 0.00 0.00 174.74 172.95 2hpq h VAL 231 N 6.22 1.13 0.24 0.89 2.07 -1.62 -3.09 116.25 122.08 2hpq h VAL 231 Ca -0.13 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2hpq h VAL 231 Cb 1.04 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2hpq h VAL 231 CO 1.30 0.19 -0.16 0.15 0.02 0.00 0.00 177.57 179.06 2hpq h PHE 232 N 1.02 -0.43 0.00 1.57 3.57 -1.89 -2.12 116.94 118.66 2hpq h PHE 232 Ca 0.33 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 2hpq h PHE 232 Cb 0.01 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2hpq h PHE 232 CO -0.03 -0.23 0.54 -2.13 -2.23 0.00 0.00 178.31 174.23 2hpq n ARG 233 N -3.24 0.00 -0.02 1.11 3.00 -1.17 0.33 116.66 116.68 2hpq n ARG 233 Ca -0.05 0.12 0.02 0.00 -0.00 0.00 0.00 57.85 57.94 2hpq n ARG 233 Cb 0.16 -1.96 0.03 0.00 0.00 0.00 0.00 32.46 30.68 2hpq n ARG 233 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2hpq n LEU 234 N -1.14 1.67 -0.19 6.15 4.77 -0.83 -4.80 117.00 122.63 2hpq n LEU 234 Ca 0.00 -1.40 -0.01 0.00 -0.03 0.00 0.00 56.01 54.57 2hpq n LEU 234 Cb 0.54 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2hpq n LEU 234 CO 0.00 0.40 0.77 0.11 -1.33 0.00 0.00 177.39 177.33 2hpq h LYS 235 N 0.60 0.02 -0.29 3.23 1.57 0.58 -2.62 116.57 119.67 2hpq h LYS 235 Ca 0.00 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2hpq h LYS 235 Cb 0.31 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 2hpq h LYS 235 CO 0.00 0.02 -0.48 -0.22 -0.57 0.00 0.00 179.45 178.20 2hpq h LYS 236 N 0.02 -0.42 -0.05 3.15 3.64 -1.87 0.30 116.57 121.34 2hpq h LYS 236 Ca 0.29 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 2hpq h LYS 236 Cb 0.45 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 2hpq h LYS 236 CO -0.58 -0.28 -0.23 2.35 -2.27 0.00 0.00 179.45 178.44 2hpq h TRP 237 N -0.44 -0.62 -1.37 1.91 7.01 -1.91 0.20 115.95 120.73 2hpq h TRP 237 Ca 0.09 0.02 0.42 0.00 2.11 0.00 0.00 58.89 61.53 2hpq h TRP 237 Cb 0.62 0.28 -0.10 0.00 -2.10 0.00 0.00 29.16 27.86 2hpq h TRP 237 CO -0.61 -0.32 0.92 0.82 -2.79 0.00 0.00 178.44 176.47 2hpq h ILE 238 N -0.34 0.22 0.04 2.65 2.04 -0.70 -0.34 117.51 121.08 2hpq h ILE 238 Ca 0.08 -0.04 -0.37 0.00 1.00 0.00 0.00 64.86 65.53 2hpq h ILE 238 Cb 0.45 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 2hpq h ILE 238 CO -0.25 0.02 -2.22 0.00 0.00 0.00 0.00 178.15 175.70 2hpq n GLN 239 N -4.46 0.69 0.07 2.37 6.02 0.43 -3.31 117.38 119.19 2hpq n GLN 239 Ca 0.35 0.18 0.21 0.00 -0.01 0.00 0.00 57.00 57.72 2hpq n GLN 239 Cb 1.41 -1.61 0.66 0.00 1.02 0.00 0.00 30.24 31.72 2hpq n GLN 239 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2hpq h LYS 240 N 0.02 0.00 0.00 -1.09 1.63 0.88 0.10 116.57 118.11 2hpq h LYS 240 Ca -0.49 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.02 2hpq h LYS 240 Cb 2.01 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.59 2hpq h LYS 240 CO 0.01 0.00 -2.00 1.55 -3.45 0.00 0.00 179.45 175.56 2hpq n VAL 241 N -3.43 1.34 0.07 2.00 3.14 -0.73 -3.65 118.33 117.07 2hpq n VAL 241 Ca 0.09 -0.79 -0.22 0.00 -2.96 0.00 0.00 64.34 60.47 2hpq n VAL 241 Cb 0.81 -0.66 -0.15 0.00 -1.06 0.00 0.00 33.84 32.78 2hpq n VAL 241 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2hpq h ILE 242 N 0.00 1.36 -0.06 1.55 2.04 -0.99 0.11 117.51 121.52 2hpq h ILE 242 Ca -0.37 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 62.94 2hpq h ILE 242 Cb 2.00 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 41.15 2hpq h ILE 242 CO 0.05 0.74 0.00 -0.90 0.00 0.00 0.00 178.15 178.04 2hpq n ASP 243 N -3.98 1.41 0.00 1.72 5.68 -0.86 -4.09 116.55 116.43 2hpq n ASP 243 Ca -0.17 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 2hpq n ASP 243 Cb 0.91 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 2hpq n ASP 243 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hpq n GLN 244 N 0.12 0.00 0.00 0.11 1.13 -1.23 -5.09 117.38 112.41 2hpq n GLN 244 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2hpq n GLN 244 Cb 0.33 -0.12 0.00 0.00 0.11 0.00 0.00 30.24 30.55 2hpq n GLN 244 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59