#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihp s ALA 2 N 0.00 3.62 -0.47 -5.12 0.00 -1.26 -5.01 121.76 113.53 3ihp s ALA 2 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 3ihp s ALA 2 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 3ihp s ALA 2 CO 0.00 0.24 1.94 -2.00 0.00 0.00 0.00 175.76 175.95 3ihp s GLU 3 N -3.55 2.83 0.48 0.00 2.12 -1.26 -4.97 118.70 114.36 3ihp s GLU 3 Ca 0.44 1.12 -0.22 0.00 0.36 0.00 0.00 54.97 56.67 3ihp s GLU 3 Cb -0.11 -4.35 -0.09 0.00 0.26 0.00 0.00 34.13 29.85 3ihp s GLU 3 CO 0.30 -2.46 0.96 1.28 -0.54 0.00 0.00 175.26 174.80 3ihp n LEU 4 N 12.29 2.81 -0.15 2.70 4.77 -1.26 -4.89 117.00 133.27 3ihp n LEU 4 Ca 0.24 0.95 -0.10 0.00 -0.03 0.00 0.00 56.01 57.07 3ihp n LEU 4 Cb 0.50 -1.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.23 3ihp n LEU 4 CO 0.70 -1.70 0.84 0.28 -1.33 0.00 0.00 177.39 176.18 3ihp h SER 5 N 1.15 0.68 -0.54 -1.43 0.02 -1.99 -2.61 113.55 108.83 3ihp h SER 5 Ca -0.46 -0.26 0.11 0.00 -0.84 0.00 0.00 61.79 60.34 3ihp h SER 5 Cb 1.35 -0.18 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 3ihp h SER 5 CO 0.54 0.77 -0.02 1.05 -1.14 0.00 0.00 176.83 178.03 3ihp h GLU 6 N 0.57 0.09 -0.01 3.45 9.09 -1.98 -0.76 114.58 125.03 3ihp h GLU 6 Ca 0.13 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.57 3ihp h GLU 6 Cb 0.38 -0.02 -0.05 0.00 -1.65 0.00 0.00 28.75 27.41 3ihp h GLU 6 CO 0.01 0.06 -0.28 0.93 0.05 0.00 0.00 179.01 179.78 3ihp h GLU 7 N 0.09 -0.41 0.00 1.06 5.08 -1.90 -0.82 114.58 117.69 3ihp h GLU 7 Ca 0.27 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3ihp h GLU 7 Cb 0.42 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ihp h GLU 7 CO -0.47 -0.27 -0.11 0.00 -1.00 0.00 0.00 179.01 177.16 3ihp h ALA 8 N 0.37 1.67 0.00 3.43 0.00 -0.96 -1.67 119.26 122.11 3ihp h ALA 8 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ihp h ALA 8 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ihp h ALA 8 CO -0.25 0.13 -0.19 1.25 0.00 0.00 0.00 179.25 180.20 3ihp h LEU 9 N 0.00 0.00 -1.30 0.00 5.85 -0.84 -3.11 115.31 115.91 3ihp h LEU 9 Ca -0.00 -0.43 0.28 0.00 0.84 0.00 0.00 57.88 58.57 3ihp h LEU 9 Cb 0.21 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 3ihp h LEU 9 CO 0.01 0.82 0.67 -0.07 -0.34 0.00 0.00 178.44 179.54 3ihp h LEU 10 N -1.00 0.46 -0.72 2.25 3.38 -1.08 0.20 115.31 118.81 3ihp h LEU 10 Ca -0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ihp h LEU 10 Cb 0.57 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ihp h LEU 10 CO -0.02 0.06 0.00 0.77 0.09 0.00 0.00 178.44 179.34 3ihp h SER 11 N 0.39 0.00 -0.01 -0.43 4.64 -1.36 -3.24 113.55 113.54 3ihp h SER 11 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3ihp h SER 11 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3ihp h SER 11 CO -0.34 0.00 -0.26 1.33 -0.87 0.00 0.00 176.83 176.68 3ihp n VAL 12 N -2.79 0.00 -0.32 0.95 0.24 0.59 -4.68 118.33 112.32 3ihp n VAL 12 Ca 0.03 -0.37 0.17 0.00 -2.04 0.00 0.00 64.34 62.13 3ihp n VAL 12 Cb 0.36 1.17 0.42 0.00 -1.47 0.00 0.00 33.84 34.32 3ihp n VAL 12 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3ihp h LEU 13 N 1.60 0.61 -2.70 1.34 5.85 -1.25 -0.46 115.31 120.31 3ihp h LEU 13 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ihp h LEU 13 Cb 0.47 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3ihp h LEU 13 CO 0.00 0.19 -0.00 -0.65 -0.34 0.00 0.00 178.44 177.64 3ihp h PRO 14 N 0.58 0.00 -0.36 5.25 0.11 -1.84 -1.88 132.00 133.85 3ihp h PRO 14 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3ihp h PRO 14 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ihp h PRO 14 CO -0.32 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.72 3ihp n THR 15 N -3.11 0.48 -3.15 -1.15 -2.24 -0.18 -4.67 114.28 100.26 3ihp n THR 15 Ca -0.02 -0.56 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 3ihp n THR 15 Cb 0.12 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 3ihp n THR 15 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ihp s ILE 16 N -1.52 4.87 0.53 2.28 1.01 -0.71 -3.21 121.20 124.45 3ihp s ILE 16 Ca 0.33 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 3ihp s ILE 16 Cb 0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3ihp s ILE 16 CO 0.25 -1.01 0.87 -0.13 0.00 0.00 0.00 174.94 174.92 3ihp s ARG 17 N 2.57 3.57 -0.22 2.79 0.52 0.39 -4.98 118.95 123.58 3ihp s ARG 17 Ca 0.12 0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.74 3ihp s ARG 17 Cb -0.23 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.01 3ihp s ARG 17 CO 0.07 -0.33 -0.15 0.54 0.02 0.00 0.00 175.30 175.46 3ihp s VAL 18 N -2.89 2.17 0.21 3.52 0.11 -1.26 -4.75 120.40 117.51 3ihp s VAL 18 Ca 0.50 -1.28 -0.32 0.00 -2.93 0.00 0.00 61.98 57.95 3ihp s VAL 18 Cb -0.11 -2.10 -0.13 0.00 -1.53 0.00 0.00 36.38 32.51 3ihp s VAL 18 CO 0.48 0.24 1.56 -2.65 -3.33 0.00 0.00 175.10 171.41 3ihp n PRO 19 N 4.53 2.33 -3.24 1.54 -0.02 -1.26 -5.04 135.00 133.85 3ihp n PRO 19 Ca -0.17 0.84 -0.21 0.00 -2.02 0.00 0.00 63.50 61.94 3ihp n PRO 19 Cb 0.46 -2.59 0.04 0.00 -0.02 0.00 0.00 33.50 31.38 3ihp n PRO 19 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ihp s LYS 20 N 0.36 2.36 0.25 -0.52 1.02 -1.26 -4.92 119.74 117.04 3ihp s LYS 20 Ca 0.73 -1.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 3ihp s LYS 20 Cb -0.61 -2.53 0.50 0.00 -0.52 0.00 0.00 37.83 34.67 3ihp s LYS 20 CO 0.42 -0.71 1.75 0.00 -0.92 0.00 0.00 175.35 175.89 3ihp h ALA 21 N 0.39 1.19 0.00 5.17 0.00 -2.02 -1.38 119.26 122.62 3ihp h ALA 21 Ca -0.33 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ihp h ALA 21 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ihp h ALA 21 CO 0.45 -0.13 0.00 0.78 0.00 0.00 0.00 179.25 180.36 3ihp h GLY 22 N 0.56 0.00 -4.24 0.00 0.00 -2.03 -3.46 103.07 93.90 3ihp h GLY 22 Ca 0.44 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.24 3ihp h GLY 22 CO -0.37 0.00 0.39 0.99 0.00 0.00 0.00 176.54 177.55 3ihp s ASP 23 N -5.01 7.41 -0.28 0.19 1.01 -0.52 -5.02 116.67 114.45 3ihp s ASP 23 Ca 0.01 1.78 -0.26 0.00 0.71 0.00 0.00 52.55 54.79 3ihp s ASP 23 Cb 0.09 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.45 3ihp s ASP 23 CO 0.45 -0.18 0.93 0.00 0.21 0.00 0.00 175.17 176.58 3ihp s ARG 24 N 0.41 4.09 -0.27 8.23 1.70 -1.26 -4.89 118.95 126.95 3ihp s ARG 24 Ca 0.50 0.94 0.01 0.00 -0.47 0.00 0.00 55.73 56.71 3ihp s ARG 24 Cb -0.23 -3.70 0.05 0.00 -0.57 0.00 0.00 34.95 30.50 3ihp s ARG 24 CO 0.30 -0.71 -0.07 0.54 -1.08 0.00 0.00 175.30 174.28 3ihp s VAL 25 N 3.19 2.55 -1.30 4.99 0.11 -1.26 -4.77 120.40 123.91 3ihp s VAL 25 Ca 0.39 -1.45 -0.10 0.00 -2.93 0.00 0.00 61.98 57.89 3ihp s VAL 25 Cb -0.14 -2.45 0.15 0.00 -1.53 0.00 0.00 36.38 32.42 3ihp s VAL 25 CO 0.11 -0.01 1.90 1.41 -3.33 0.00 0.00 175.10 175.18 3ihp n HIS 26 N 4.54 3.07 0.75 1.54 8.25 0.04 -4.68 115.22 128.72 3ihp n HIS 26 Ca -0.14 -2.82 0.13 0.00 -0.26 0.00 0.00 57.72 54.62 3ihp n HIS 26 Cb 0.43 -2.02 0.35 0.00 1.12 0.00 0.00 29.99 29.88 3ihp n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ihp n LYS 27 N 4.16 0.18 -0.03 -0.41 5.02 -1.26 -2.88 118.16 122.93 3ihp n LYS 27 Ca 0.41 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3ihp n LYS 27 Cb 0.37 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 3ihp n LYS 27 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ihp n ASP 28 N -1.94 0.28 -3.68 4.39 9.92 -1.26 -4.57 116.55 119.70 3ihp n ASP 28 Ca 0.05 0.12 -0.13 0.00 -0.53 0.00 0.00 54.79 54.30 3ihp n ASP 28 Cb 0.40 1.05 -0.08 0.00 -0.64 0.00 0.00 41.12 41.85 3ihp n ASP 28 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3ihp s GLU 29 N -2.98 0.67 0.31 -1.24 2.12 -1.26 -4.46 118.70 111.86 3ihp s GLU 29 Ca -0.07 0.81 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 3ihp s GLU 29 Cb 0.09 0.32 -0.11 0.00 0.26 0.00 0.00 34.13 34.69 3ihp s GLU 29 CO 0.85 -0.08 1.57 0.00 -0.54 0.00 0.00 175.26 177.06 3ihp h ALA 31 N 4.50 1.70 0.00 0.00 0.00 -1.61 -3.20 119.26 120.65 3ihp h ALA 31 Ca -0.48 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3ihp h ALA 31 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ihp h ALA 31 CO 0.76 0.25 -1.84 1.19 0.00 0.00 0.00 179.25 179.61 3ihp n PHE 32 N -4.44 0.23 -4.13 0.00 3.72 -1.26 -4.57 117.46 107.00 3ihp n PHE 32 Ca 0.01 0.07 -0.16 0.00 -0.05 0.00 0.00 57.45 57.33 3ihp n PHE 32 Cb 0.11 -0.68 -0.05 0.00 -0.94 0.00 0.00 39.48 37.92 3ihp n PHE 32 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ihp n SER 33 N -2.43 -1.03 -0.56 4.37 3.41 -1.21 -4.69 113.62 111.48 3ihp n SER 33 Ca -0.07 -2.91 0.05 0.00 -0.26 0.00 0.00 58.87 55.68 3ihp n SER 33 Cb 0.66 2.05 0.13 0.00 -0.26 0.00 0.00 64.21 66.80 3ihp n SER 33 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ihp n PHE 34 N -0.57 0.41 -1.54 7.33 3.01 -1.26 -3.77 117.46 121.07 3ihp n PHE 34 Ca 0.03 -0.20 -0.36 0.00 1.01 0.00 0.00 57.45 57.93 3ihp n PHE 34 Cb 0.56 -0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.12 3ihp n PHE 34 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3ihp n ASP 35 N 0.39 1.67 -3.88 4.37 9.92 -1.26 -4.82 116.55 122.94 3ihp n ASP 35 Ca 0.10 0.76 -0.10 0.00 -0.53 0.00 0.00 54.79 55.02 3ihp n ASP 35 Cb 0.26 -1.53 -0.09 0.00 -0.64 0.00 0.00 41.12 39.12 3ihp n ASP 35 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3ihp s THR 36 N -1.60 0.13 0.58 -3.53 2.01 -1.26 -1.51 115.64 110.45 3ihp s THR 36 Ca 0.80 -1.04 0.32 0.00 0.31 0.00 0.00 61.69 62.08 3ihp s THR 36 Cb -0.36 -0.99 0.45 0.00 0.01 0.00 0.00 72.50 71.62 3ihp s THR 36 CO 0.44 -0.57 1.69 -0.65 -0.69 0.00 0.00 174.62 174.84 3ihp h PRO 37 N 3.41 0.00 0.00 4.92 0.11 -1.80 0.33 132.00 138.97 3ihp h PRO 37 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ihp h PRO 37 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ihp h PRO 37 CO 0.51 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.69 3ihp n GLU 38 N -3.72 0.12 -2.16 1.05 1.02 -1.26 -0.30 120.64 115.39 3ihp n GLU 38 Ca 0.19 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 57.04 3ihp n GLU 38 Cb 1.14 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 31.06 3ihp n GLU 38 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3ihp s SER 39 N -2.87 5.94 0.29 1.62 0.01 0.12 -4.87 113.70 113.94 3ihp s SER 39 Ca 0.17 1.82 -0.29 0.00 1.31 0.00 0.00 55.95 58.96 3ihp s SER 39 Cb 0.18 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 3ihp s SER 39 CO 0.46 -1.06 1.42 -1.83 0.41 0.00 0.00 173.24 172.64 3ihp s GLU 40 N -3.92 4.26 0.00 12.44 1.03 -1.26 -1.76 118.70 129.49 3ihp s GLU 40 Ca 0.64 2.33 0.00 0.00 0.03 0.00 0.00 54.97 57.98 3ihp s GLU 40 Cb -0.16 -3.07 0.00 0.00 -0.80 0.00 0.00 34.13 30.10 3ihp s GLU 40 CO 0.33 -0.39 0.00 0.41 -1.33 0.00 0.00 175.26 174.29 3ihp n GLY 41 N 1.59 3.06 7.00 -3.83 0.00 -1.26 -4.89 105.19 106.86 3ihp n GLY 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ihp n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihp n GLY 42 N -0.48 0.26 2.83 -0.02 0.00 -0.72 -4.38 105.19 102.68 3ihp n GLY 42 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 3ihp n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ihp s LEU 43 N 0.00 1.33 -0.27 0.99 2.96 0.29 -3.98 118.68 120.00 3ihp s LEU 43 Ca 0.00 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 3ihp s LEU 43 Cb 0.00 -0.19 -0.05 0.00 0.50 0.00 0.00 46.19 46.45 3ihp s LEU 43 CO 0.00 -0.08 0.20 -0.31 -1.32 0.00 0.00 176.35 174.84 3ihp s TYR 44 N 0.80 3.23 -0.21 5.38 2.02 0.81 -0.00 117.35 129.38 3ihp s TYR 44 Ca -0.08 0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.68 3ihp s TYR 44 Cb -0.11 -2.38 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 3ihp s TYR 44 CO -0.01 -0.14 0.12 0.42 -1.57 0.00 0.00 175.55 174.37 3ihp s ILE 45 N 1.69 5.26 0.02 2.71 1.01 0.50 -0.40 121.20 131.99 3ihp s ILE 45 Ca 0.08 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 3ihp s ILE 45 Cb -0.16 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.83 3ihp s ILE 45 CO 0.10 0.42 1.66 0.00 0.00 0.00 0.00 174.94 177.12 3ihp n MET 47 N 6.23 1.03 -0.09 0.00 0.00 -1.17 -0.96 117.12 122.16 3ihp n MET 47 Ca 0.16 -0.04 -0.18 0.00 0.00 0.00 0.00 57.70 57.64 3ihp n MET 47 Cb 0.42 -1.23 -0.07 0.00 0.00 0.00 0.00 33.22 32.34 3ihp n MET 47 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3ihp n ASN 48 N -0.69 1.47 -0.01 7.83 5.15 -1.20 -0.46 115.26 127.35 3ihp n ASN 48 Ca 0.11 0.18 0.11 0.00 -0.60 0.00 0.00 54.58 54.37 3ihp n ASN 48 Cb 0.06 -0.49 -0.16 0.00 -0.53 0.00 0.00 39.78 38.66 3ihp n ASN 48 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3ihp n THR 49 N -3.69 0.00 -1.25 -0.44 -2.24 -1.24 -4.57 114.28 100.84 3ihp n THR 49 Ca -0.35 -0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 60.96 3ihp n THR 49 Cb 0.76 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 3ihp n THR 49 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ihp n PHE 50 N -2.13 -0.02 -3.12 4.78 3.72 -0.13 -4.91 117.46 115.64 3ihp n PHE 50 Ca -0.03 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 3ihp n PHE 50 Cb 0.52 -1.37 -0.06 0.00 -0.94 0.00 0.00 39.48 37.63 3ihp n PHE 50 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ihp s LEU 51 N -1.35 4.23 0.12 4.37 1.43 -1.26 -0.78 118.68 125.45 3ihp s LEU 51 Ca 0.00 1.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 3ihp s LEU 51 Cb 0.00 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3ihp s LEU 51 CO 0.00 -0.06 0.10 -0.83 0.23 0.00 0.00 176.35 175.79 3ihp s GLY 52 N -1.89 1.88 -0.05 -3.19 0.00 -1.14 0.38 107.32 103.31 3ihp s GLY 52 Ca 0.47 -1.10 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 3ihp s GLY 52 CO 0.20 -1.10 0.18 -1.36 0.00 0.00 0.00 173.10 171.02 3ihp s PHE 53 N -1.55 -0.15 0.95 1.90 0.08 0.46 -1.43 117.98 118.24 3ihp s PHE 53 Ca 0.30 0.36 -0.12 0.00 0.12 0.00 0.00 56.93 57.59 3ihp s PHE 53 Cb -0.11 0.05 0.16 0.00 -0.57 0.00 0.00 43.02 42.54 3ihp s PHE 53 CO 0.23 -0.14 1.11 0.20 -0.10 0.00 0.00 175.22 176.51 3ihp s GLY 54 N -0.25 1.57 0.23 4.36 0.00 -1.26 -0.14 107.32 111.84 3ihp s GLY 54 Ca -0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.18 3ihp s GLY 54 CO 0.01 0.15 1.66 0.50 0.00 0.00 0.00 173.10 175.42 3ihp h LYS 55 N -1.68 0.13 -0.27 2.90 6.56 -1.76 -1.15 116.57 121.29 3ihp h LYS 55 Ca -0.52 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 3ihp h LYS 55 Cb 1.33 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 3ihp h LYS 55 CO 0.60 0.09 0.00 1.04 -2.06 0.00 0.00 179.45 179.11 3ihp n GLN 56 N -5.28 1.09 0.00 3.15 1.13 -1.26 -3.68 117.38 112.53 3ihp n GLN 56 Ca 0.11 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3ihp n GLN 56 Cb 0.41 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.61 3ihp n GLN 56 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3ihp n TYR 57 N -0.30 0.00 -0.28 1.08 4.01 -0.46 -4.82 117.16 116.39 3ihp n TYR 57 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 3ihp n TYR 57 Cb 0.09 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.19 3ihp n TYR 57 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ihp h VAL 58 N 0.00 1.21 -0.01 -0.72 2.07 -1.57 -2.20 116.25 115.04 3ihp h VAL 58 Ca 0.00 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3ihp h VAL 58 Cb 0.00 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3ihp h VAL 58 CO 0.00 0.21 -0.03 -0.08 0.02 0.00 0.00 177.57 177.69 3ihp h GLU 59 N 1.05 0.01 0.19 1.57 4.81 -1.88 0.11 114.58 120.45 3ihp h GLU 59 Ca 0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3ihp h GLU 59 Cb -0.08 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3ihp h GLU 59 CO -0.06 0.04 -0.19 -0.09 -0.73 0.00 0.00 179.01 177.99 3ihp h ARG 60 N 0.01 -0.40 -0.16 1.92 2.43 -1.73 0.28 114.38 116.73 3ihp h ARG 60 Ca 0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3ihp h ARG 60 Cb 0.06 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3ihp h ARG 60 CO 0.00 -0.26 0.08 1.25 -1.51 0.00 0.00 179.97 179.53 3ihp h HIS 61 N -0.41 0.24 -0.35 2.20 2.76 -0.88 -1.04 115.15 117.67 3ihp h HIS 61 Ca 0.00 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 3ihp h HIS 61 Cb 0.39 -0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.22 3ihp h HIS 61 CO -0.15 0.26 -0.02 0.35 -1.30 0.00 0.00 177.93 177.07 3ihp h PHE 62 N 0.14 -0.06 -0.46 5.26 3.57 -0.81 0.12 116.94 124.69 3ihp h PHE 62 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3ihp h PHE 62 Cb 0.11 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3ihp h PHE 62 CO -0.03 -0.09 0.26 -0.91 -2.23 0.00 0.00 178.31 175.31 3ihp h ASN 63 N 0.07 0.58 -0.11 0.41 -0.26 -0.24 0.11 115.58 116.14 3ihp h ASN 63 Ca 0.17 -0.09 -0.23 0.00 -0.56 0.00 0.00 56.30 55.59 3ihp h ASN 63 Cb 0.24 -0.15 0.01 0.00 -1.06 0.00 0.00 38.32 37.37 3ihp h ASN 63 CO -0.30 0.50 -0.82 0.11 -1.06 0.00 0.00 177.43 175.86 3ihp h LYS 64 N 0.61 0.77 0.00 0.81 1.57 -0.74 -3.38 116.57 116.20 3ihp h LYS 64 Ca 0.16 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3ihp h LYS 64 Cb 0.05 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3ihp h LYS 64 CO -0.03 1.26 -0.96 -2.37 -0.57 0.00 0.00 179.45 176.78 3ihp n THR 65 N -3.92 0.00 -0.95 -0.16 5.66 0.39 -5.02 114.28 110.28 3ihp n THR 65 Ca -0.08 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 3ihp n THR 65 Cb 0.77 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 3ihp n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ihp n GLY 66 N 1.90 0.64 3.71 1.09 0.00 0.38 -5.01 105.19 107.90 3ihp n GLY 66 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ihp n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ihp s GLN 67 N -0.05 4.43 -0.19 1.61 2.00 -1.25 -4.94 119.66 121.26 3ihp s GLN 67 Ca 0.00 1.79 0.06 0.00 -2.00 0.00 0.00 55.36 55.21 3ihp s GLN 67 Cb 0.00 -3.34 -0.16 0.00 0.80 0.00 0.00 33.01 30.31 3ihp s GLN 67 CO 0.00 -0.25 -0.10 0.54 -0.50 0.00 0.00 175.29 174.97 3ihp n ARG 68 N 3.85 0.79 -3.31 1.67 1.74 -1.26 -4.35 116.66 115.80 3ihp n ARG 68 Ca 0.09 0.08 -0.38 0.00 -0.77 0.00 0.00 57.85 56.86 3ihp n ARG 68 Cb 0.46 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 3ihp n ARG 68 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ihp s VAL 69 N -2.41 4.95 -0.01 1.55 -7.23 -1.26 -0.72 120.40 115.26 3ihp s VAL 69 Ca -0.22 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 3ihp s VAL 69 Cb 0.06 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 33.16 3ihp s VAL 69 CO 0.55 0.47 -0.00 -0.31 -0.31 0.00 0.00 175.10 175.49 3ihp s TYR 70 N -0.43 0.16 -0.23 2.82 2.02 -0.34 -3.06 117.35 118.28 3ihp s TYR 70 Ca 0.28 0.01 -0.26 0.00 -0.37 0.00 0.00 57.07 56.73 3ihp s TYR 70 Cb -0.18 -0.19 -0.00 0.00 -0.40 0.00 0.00 41.96 41.19 3ihp s TYR 70 CO 0.15 -0.05 0.89 -1.17 -1.57 0.00 0.00 175.55 173.81 3ihp s LEU 71 N 0.41 4.09 -0.25 -1.29 2.96 0.08 -1.00 118.68 123.69 3ihp s LEU 71 Ca -0.04 1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 54.90 3ihp s LEU 71 Cb -0.06 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 3ihp s LEU 71 CO -0.01 -0.55 0.23 -2.28 -1.32 0.00 0.00 176.35 172.42 3ihp s HIS 72 N 2.90 3.29 -0.11 5.38 5.65 0.12 -0.37 115.29 132.15 3ihp s HIS 72 Ca 0.38 0.28 -0.03 0.00 0.25 0.00 0.00 55.06 55.94 3ihp s HIS 72 Cb -0.15 -2.38 -0.03 0.00 -1.18 0.00 0.00 32.58 28.84 3ihp s HIS 72 CO 0.07 -0.05 -0.00 -0.51 -0.65 0.00 0.00 174.74 173.60 3ihp s LEU 73 N 1.43 3.54 -0.05 8.88 1.02 1.00 -2.08 118.68 132.41 3ihp s LEU 73 Ca 0.10 0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.34 3ihp s LEU 73 Cb -0.15 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.26 3ihp s LEU 73 CO 0.08 0.32 -0.05 -0.60 0.02 0.00 0.00 176.35 176.11 3ihp s ARG 74 N -0.52 0.96 0.01 1.70 3.52 -0.72 -0.55 118.95 123.35 3ihp s ARG 74 Ca 0.09 -0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 3ihp s ARG 74 Cb -0.12 -0.94 -0.03 0.00 -1.56 0.00 0.00 34.95 32.30 3ihp s ARG 74 CO 0.02 -0.08 -0.10 1.03 -0.81 0.00 0.00 175.30 175.36 3ihp s ARG 75 N 0.95 2.42 0.00 5.12 0.52 0.59 -1.10 118.95 127.45 3ihp s ARG 75 Ca -0.10 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 3ihp s ARG 75 Cb -0.14 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.91 3ihp s ARG 75 CO 0.00 0.58 0.00 -2.37 0.02 0.00 0.00 175.30 173.54 3ihp n THR 76 N 1.54 0.00 -1.47 0.02 5.66 -1.26 -4.24 114.28 114.53 3ihp n THR 76 Ca -0.15 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.84 3ihp n THR 76 Cb 0.52 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.30 3ihp n THR 76 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3ihp n ASP 117 N 0.00 -2.72 -4.70 1.09 8.00 -1.26 -5.17 116.55 111.80 3ihp n ASP 117 Ca 0.00 0.33 -0.36 0.00 0.71 0.00 0.00 54.79 55.47 3ihp n ASP 117 Cb 0.17 -1.86 -0.08 0.00 -0.02 0.00 0.00 41.12 39.33 3ihp n ASP 117 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3ihp s GLU 118 N -1.38 4.15 -0.13 -1.24 -1.05 -1.26 -4.98 118.70 112.81 3ihp s GLU 118 Ca -0.03 -0.17 0.01 0.00 -0.15 0.00 0.00 54.97 54.64 3ihp s GLU 118 Cb 0.00 -3.47 -0.00 0.00 -0.44 0.00 0.00 34.13 30.22 3ihp s GLU 118 CO 0.07 0.18 -0.18 0.34 0.95 0.00 0.00 175.26 176.62 3ihp s ASP 119 N 0.68 3.55 -0.05 0.83 2.15 -0.26 -5.00 116.67 118.56 3ihp s ASP 119 Ca 0.10 -0.47 0.03 0.00 0.43 0.00 0.00 52.55 52.64 3ihp s ASP 119 Cb -0.12 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 3ihp s ASP 119 CO 0.02 0.12 -0.15 0.68 -0.17 0.00 0.00 175.17 175.67 3ihp s VAL 120 N 0.59 1.28 0.11 1.11 -7.23 -1.26 -1.76 120.40 113.24 3ihp s VAL 120 Ca -0.10 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 3ihp s VAL 120 Cb -0.16 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3ihp s VAL 120 CO 0.03 0.38 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.59 3ihp s LYS 121 N 0.33 0.87 -0.19 4.82 0.00 -0.88 -4.50 119.74 120.19 3ihp s LYS 121 Ca -0.09 -1.38 -0.09 0.00 0.00 0.00 0.00 55.97 54.41 3ihp s LYS 121 Cb -0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 37.83 37.56 3ihp s LYS 121 CO 0.03 -0.10 0.12 0.42 0.00 0.00 0.00 175.35 175.82 3ihp s ILE 122 N -3.74 5.29 -0.01 3.79 1.01 -0.22 0.11 121.20 127.42 3ihp s ILE 122 Ca 0.16 0.14 0.06 0.00 0.00 0.00 0.00 60.65 61.01 3ihp s ILE 122 Cb 0.06 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 3ihp s ILE 122 CO -0.03 0.46 -0.18 -0.69 0.00 0.00 0.00 174.94 174.50 3ihp s VAL 123 N 0.25 1.41 -0.21 2.92 1.01 -0.17 -0.46 120.40 125.15 3ihp s VAL 123 Ca 0.08 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3ihp s VAL 123 Cb -0.11 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.13 3ihp s VAL 123 CO -0.01 0.36 -0.11 -0.63 0.00 0.00 0.00 175.10 174.71 3ihp s ILE 124 N -0.47 1.79 0.54 2.22 1.01 -0.36 -1.20 121.20 124.73 3ihp s ILE 124 Ca 0.07 -1.14 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 3ihp s ILE 124 Cb -0.07 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 3ihp s ILE 124 CO -0.00 0.15 0.98 -0.76 0.00 0.00 0.00 174.94 175.31 3ihp s LEU 125 N 1.32 3.50 0.00 2.97 1.02 0.10 -1.35 118.68 126.24 3ihp s LEU 125 Ca -0.02 1.46 0.26 0.00 0.02 0.00 0.00 54.13 55.84 3ihp s LEU 125 Cb -0.17 -4.43 0.60 0.00 0.02 0.00 0.00 46.19 42.21 3ihp s LEU 125 CO -0.08 -0.67 1.47 -0.81 0.02 0.00 0.00 176.35 176.28 3ihp n PRO 126 N -2.00 1.16 0.00 1.29 -0.04 -1.26 -4.75 135.00 129.40 3ihp n PRO 126 Ca 0.06 -0.78 0.14 0.00 -0.04 0.00 0.00 63.50 62.88 3ihp n PRO 126 Cb 0.54 -1.48 0.61 0.00 -0.04 0.00 0.00 33.50 33.12 3ihp n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ihp n ASP 127 N -0.24 0.89 -3.41 3.54 8.00 -1.23 -4.97 116.55 119.13 3ihp n ASP 127 Ca 0.13 -1.09 -0.19 0.00 0.71 0.00 0.00 54.79 54.35 3ihp n ASP 127 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.53 3ihp n ASP 127 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ihp n TYR 128 N -0.45 -2.35 -3.12 1.24 4.01 -0.46 -4.96 117.16 111.09 3ihp n TYR 128 Ca 0.18 0.77 -0.40 0.00 -0.16 0.00 0.00 57.90 58.29 3ihp n TYR 128 Cb 0.29 -3.75 -0.05 0.00 -0.31 0.00 0.00 39.34 35.51 3ihp n TYR 128 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3ihp s LEU 129 N -5.43 4.21 -0.22 7.72 2.96 -0.97 -4.81 118.68 122.14 3ihp s LEU 129 Ca 0.32 0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 55.09 3ihp s LEU 129 Cb -0.08 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 3ihp s LEU 129 CO 0.80 -0.20 0.08 -1.61 -1.32 0.00 0.00 176.35 174.10 3ihp s GLU 130 N 1.46 3.82 -0.03 1.98 2.02 -1.26 -1.22 118.70 125.47 3ihp s GLU 130 Ca 0.31 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.96 3ihp s GLU 130 Cb -0.16 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 3ihp s GLU 130 CO 0.12 0.01 -0.23 0.42 0.02 0.00 0.00 175.26 175.60 3ihp s ILE 131 N 1.09 1.86 0.62 -1.63 1.01 0.39 -4.97 121.20 119.58 3ihp s ILE 131 Ca 0.05 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 3ihp s ILE 131 Cb -0.14 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3ihp s ILE 131 CO 0.03 0.52 1.04 0.00 0.00 0.00 0.00 174.94 176.53 3ihp s ALA 132 N -0.38 2.91 0.26 9.38 0.00 -1.26 -1.06 121.76 131.62 3ihp s ALA 132 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3ihp s ALA 132 Cb -0.11 -3.14 0.56 0.00 0.00 0.00 0.00 23.12 20.43 3ihp s ALA 132 CO 0.01 -0.81 1.74 0.00 0.00 0.00 0.00 175.76 176.70 3ihp h ARG 133 N -0.15 0.50 -0.62 0.00 3.08 -1.96 -2.71 114.38 112.52 3ihp h ARG 133 Ca -0.45 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.38 3ihp h ARG 133 Cb 1.20 -0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.02 3ihp h ARG 133 CO 0.60 0.33 0.20 -0.40 -1.07 0.00 0.00 179.97 179.63 3ihp n ASP 134 N -4.95 4.35 -2.01 7.04 3.85 -1.26 -4.48 116.55 119.08 3ihp n ASP 134 Ca 0.17 -3.28 -0.25 0.00 -0.71 0.00 0.00 54.79 50.72 3ihp n ASP 134 Cb 0.48 -0.70 0.09 0.00 -1.35 0.00 0.00 41.12 39.64 3ihp n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ihp n GLY 135 N -0.38 5.79 1.27 6.12 0.00 -1.02 -4.69 105.19 112.28 3ihp n GLY 135 Ca 0.38 -2.15 0.08 0.00 0.00 0.00 0.00 46.02 44.33 3ihp n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ihp n LEU 136 N -0.90 4.56 -0.30 0.99 4.32 -1.26 -4.77 117.00 119.64 3ihp n LEU 136 Ca 0.51 -2.95 0.02 0.00 -0.02 0.00 0.00 56.01 53.57 3ihp n LEU 136 Cb 0.91 -0.59 0.15 0.00 -1.62 0.00 0.00 43.42 42.27 3ihp n LEU 136 CO 0.54 0.66 1.16 1.23 -1.22 0.00 0.00 177.39 179.77 3ihp h GLY 137 N 2.67 1.28 -0.05 -0.72 0.00 -1.97 -2.96 103.07 101.32 3ihp h GLY 137 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3ihp h GLY 137 CO 0.32 0.19 -0.01 0.61 0.00 0.00 0.00 176.54 177.65 3ihp n GLY 138 N -1.32 -0.28 3.90 4.60 0.00 -1.26 -4.93 105.19 105.90 3ihp n GLY 138 Ca 0.13 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3ihp n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihp s LEU 139 N -2.03 3.82 0.28 0.99 1.43 -1.12 -5.00 118.68 117.06 3ihp s LEU 139 Ca 0.40 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.06 3ihp s LEU 139 Cb 0.21 -3.75 -0.13 0.00 0.03 0.00 0.00 46.19 42.55 3ihp s LEU 139 CO 0.35 -0.41 1.34 -2.65 0.23 0.00 0.00 176.35 175.21 3ihp n PRO 140 N -1.69 2.04 -0.35 1.29 -0.02 -1.26 -4.77 135.00 130.24 3ihp n PRO 140 Ca -0.00 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 3ihp n PRO 140 Cb 0.55 -2.33 0.35 0.00 -0.02 0.00 0.00 33.50 32.05 3ihp n PRO 140 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ihp h ASP 141 N 3.41 0.74 -0.76 2.55 3.45 -1.96 0.43 116.42 124.27 3ihp h ASP 141 Ca -0.45 0.10 0.07 0.00 0.43 0.00 0.00 57.03 57.18 3ihp h ASP 141 Cb 1.28 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 39.97 3ihp h ASP 141 CO 0.69 0.24 0.50 -0.29 -1.57 0.00 0.00 179.24 178.81 3ihp h ILE 142 N 0.71 1.02 0.07 0.35 6.09 -2.00 -1.61 117.51 122.14 3ihp h ILE 142 Ca 0.58 -0.27 -0.25 0.00 -1.37 0.00 0.00 64.86 63.55 3ihp h ILE 142 Cb 0.98 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 3ihp h ILE 142 CO -0.38 0.14 -1.22 1.62 -3.07 0.00 0.00 178.15 175.24 3ihp h VAL 143 N 0.79 1.49 0.03 2.19 3.04 -1.27 -2.52 116.25 120.01 3ihp h VAL 143 Ca 0.33 -3.15 0.03 0.00 -1.01 0.00 0.00 66.70 62.90 3ihp h VAL 143 Cb 0.27 2.85 -0.05 0.00 -2.01 0.00 0.00 31.29 32.35 3ihp h VAL 143 CO -0.11 0.89 -0.30 0.03 -1.01 0.00 0.00 177.57 177.07 3ihp h ARG 144 N 0.04 -0.45 -0.78 4.17 3.08 -1.23 -0.67 114.38 118.54 3ihp h ARG 144 Ca -0.11 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3ihp h ARG 144 Cb 1.90 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 32.00 3ihp h ARG 144 CO 0.16 -0.30 0.48 -0.44 -1.07 0.00 0.00 179.97 178.80 3ihp h ASP 145 N -0.46 0.77 -0.06 7.04 3.32 -1.35 -0.91 116.42 124.77 3ihp h ASP 145 Ca 0.05 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3ihp h ASP 145 Cb 0.54 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3ihp h ASP 145 CO -0.23 0.52 0.01 -0.09 -1.72 0.00 0.00 179.24 177.72 3ihp h ARG 146 N 0.91 0.09 -0.14 3.56 1.12 -1.20 0.45 114.38 119.18 3ihp h ARG 146 Ca 0.33 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.16 3ihp h ARG 146 Cb 0.09 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 3ihp h ARG 146 CO -0.14 0.32 0.06 0.28 -3.11 0.00 0.00 179.97 177.38 3ihp h VAL 147 N -0.15 1.14 -0.06 0.20 2.07 -0.92 -2.26 116.25 116.26 3ihp h VAL 147 Ca 0.02 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 3ihp h VAL 147 Cb 0.27 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3ihp h VAL 147 CO 0.00 0.13 -0.53 0.71 0.02 0.00 0.00 177.57 177.89 3ihp h THR 148 N 0.08 1.37 -0.52 2.57 1.35 -1.12 -1.70 112.91 114.94 3ihp h THR 148 Ca 0.05 -1.82 0.06 0.00 -0.55 0.00 0.00 66.41 64.14 3ihp h THR 148 Cb 0.15 1.91 -0.05 0.00 -1.73 0.00 0.00 68.15 68.43 3ihp h THR 148 CO -0.00 0.54 0.23 0.28 -0.25 0.00 0.00 175.52 176.31 3ihp h SER 149 N 0.14 0.29 -0.20 5.36 0.02 -0.77 0.58 113.55 118.98 3ihp h SER 149 Ca 0.00 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3ihp h SER 149 Cb 0.99 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3ihp h SER 149 CO 0.08 0.20 -0.07 0.00 -1.14 0.00 0.00 176.83 175.90 3ihp h ALA 150 N 1.31 0.28 -0.28 3.77 0.00 -1.05 -1.92 119.26 121.36 3ihp h ALA 150 Ca 0.24 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ihp h ALA 150 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ihp h ALA 150 CO -0.20 0.08 0.09 0.28 0.00 0.00 0.00 179.25 179.50 3ihp h VAL 151 N 0.10 0.91 -0.90 0.00 2.07 -1.13 -0.35 116.25 116.96 3ihp h VAL 151 Ca 0.05 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3ihp h VAL 151 Cb 0.54 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3ihp h VAL 151 CO 0.02 0.04 0.49 -0.33 0.02 0.00 0.00 177.57 177.81 3ihp h GLU 152 N 0.21 1.26 -0.38 1.57 5.08 -0.78 -1.97 114.58 119.57 3ihp h GLU 152 Ca 0.13 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3ihp h GLU 152 Cb 0.10 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3ihp h GLU 152 CO -0.14 0.93 -0.34 0.00 -1.00 0.00 0.00 179.01 178.46 3ihp h ALA 153 N 1.27 0.55 -0.17 3.43 0.00 -1.03 -2.70 119.26 120.61 3ihp h ALA 153 Ca 0.32 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ihp h ALA 153 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ihp h ALA 153 CO -0.05 0.62 0.11 -0.07 0.00 0.00 0.00 179.25 179.86 3ihp h LEU 154 N 0.70 0.16 -1.49 0.00 3.38 -0.48 -1.85 115.31 115.73 3ihp h LEU 154 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ihp h LEU 154 Cb 0.93 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3ihp h LEU 154 CO 0.09 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.91 3ihp n LEU 155 N -4.51 2.18 -4.10 1.67 4.77 -0.80 -4.97 117.00 111.24 3ihp n LEU 155 Ca -0.00 -1.09 -0.19 0.00 -0.03 0.00 0.00 56.01 54.70 3ihp n LEU 155 Cb 0.10 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 3ihp n LEU 155 CO 0.34 0.48 -0.45 -0.44 -1.33 0.00 0.00 177.39 176.00 3ihp s SER 156 N -0.90 1.38 -0.09 -1.43 0.01 -0.70 -5.08 113.70 106.89 3ihp s SER 156 Ca 0.25 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3ihp s SER 156 Cb 0.14 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.29 3ihp s SER 156 CO 0.15 0.02 -0.17 -0.69 0.41 0.00 0.00 173.24 172.96 3ihp s VAL 173 N -0.73 1.58 -0.01 3.43 1.01 -1.26 -5.06 120.40 119.36 3ihp s VAL 173 Ca 0.01 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3ihp s VAL 173 Cb -0.07 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3ihp s VAL 173 CO 0.01 0.46 0.62 -0.13 0.00 0.00 0.00 175.10 176.05 3ihp s ARG 174 N 0.63 4.35 0.65 2.72 0.52 -1.26 -5.09 118.95 121.47 3ihp s ARG 174 Ca -0.14 0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 55.73 3ihp s ARG 174 Cb -0.16 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 3ihp s ARG 174 CO 0.04 0.31 1.04 1.14 0.02 0.00 0.00 175.30 177.85 3ihp s GLN 175 N -0.01 3.38 0.23 3.54 1.03 -1.26 -4.67 119.66 121.89 3ihp s GLN 175 Ca 0.32 0.76 -0.30 0.00 0.04 0.00 0.00 55.36 56.18 3ihp s GLN 175 Cb -0.18 -2.05 -0.09 0.00 0.03 0.00 0.00 33.01 30.72 3ihp s GLN 175 CO 0.18 -0.73 0.96 0.14 -2.54 0.00 0.00 175.29 173.29 3ihp s VAL 176 N -3.17 4.06 0.48 3.63 -7.23 -1.26 -1.35 120.40 115.56 3ihp s VAL 176 Ca 0.56 2.03 -0.24 0.00 -1.81 0.00 0.00 61.98 62.52 3ihp s VAL 176 Cb -0.12 -4.29 -0.07 0.00 0.56 0.00 0.00 36.38 32.46 3ihp s VAL 176 CO 0.54 0.47 1.40 -0.24 -0.31 0.00 0.00 175.10 176.96 3ihp n SER 177 N 1.62 3.10 0.00 4.85 2.88 -0.67 -4.83 113.62 120.57 3ihp n SER 177 Ca -0.01 1.08 0.09 0.00 -1.33 0.00 0.00 58.87 58.69 3ihp n SER 177 Cb 0.47 -1.59 0.54 0.00 -0.75 0.00 0.00 64.21 62.88 3ihp n SER 177 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3ihp n LYS 178 N -0.43 0.58 0.00 -1.46 0.00 -1.26 -3.00 118.16 112.58 3ihp n LYS 178 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3ihp n LYS 178 Cb 0.42 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.96 3ihp n LYS 178 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3ihp n HIS 179 N -0.99 0.00 0.07 5.58 8.25 -1.26 -4.73 115.22 122.14 3ihp n HIS 179 Ca 0.14 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.65 3ihp n HIS 179 Cb 0.06 0.00 0.49 0.00 1.12 0.00 0.00 29.99 31.66 3ihp n HIS 179 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ihp h ALA 180 N 0.00 1.81 0.00 -1.41 0.00 -1.88 -1.90 119.26 115.88 3ihp h ALA 180 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3ihp h ALA 180 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ihp h ALA 180 CO 0.00 0.18 -2.09 1.19 0.00 0.00 0.00 179.25 178.53 3ihp n PHE 181 N -4.49 0.00 0.98 0.00 3.72 -1.26 -4.36 117.46 112.04 3ihp n PHE 181 Ca 0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 3ihp n PHE 181 Cb 0.08 -0.68 0.17 0.00 -0.94 0.00 0.00 39.48 38.12 3ihp n PHE 181 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ihp n SER 182 N -2.43 0.60 -4.59 4.37 3.41 -1.19 -4.98 113.62 108.81 3ihp n SER 182 Ca -0.16 -0.38 -0.52 0.00 -0.26 0.00 0.00 58.87 57.55 3ihp n SER 182 Cb 0.80 0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 65.10 3ihp n SER 182 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3ihp n LEU 183 N -1.52 1.64 -4.79 1.04 7.94 -0.72 -4.97 117.00 115.61 3ihp n LEU 183 Ca 0.05 1.12 -0.38 0.00 -1.11 0.00 0.00 56.01 55.69 3ihp n LEU 183 Cb 0.34 -1.20 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 3ihp n LEU 183 CO 0.37 -1.07 0.22 -1.59 -1.11 0.00 0.00 177.39 174.20 3ihp s LYS 184 N 0.38 4.18 -0.06 1.96 -2.85 -1.26 -5.09 119.74 116.99 3ihp s LYS 184 Ca 0.83 0.61 0.05 0.00 -1.00 0.00 0.00 55.97 56.46 3ihp s LYS 184 Cb -0.94 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 31.53 3ihp s LYS 184 CO 0.47 0.51 -0.23 -0.65 0.10 0.00 0.00 175.35 175.55 3ihp s GLN 185 N -0.61 2.61 0.45 1.78 -0.21 -1.26 -4.56 119.66 117.87 3ihp s GLN 185 Ca 0.28 -0.87 -0.22 0.00 0.02 0.00 0.00 55.36 54.56 3ihp s GLN 185 Cb -0.18 -2.21 -0.08 0.00 1.00 0.00 0.00 33.01 31.54 3ihp s GLN 185 CO 0.16 0.39 1.07 -0.51 -2.12 0.00 0.00 175.29 174.27 3ihp s LEU 186 N -0.17 3.97 1.08 2.90 1.43 -0.21 -5.05 118.68 122.63 3ihp s LEU 186 Ca -0.03 2.04 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 3ihp s LEU 186 Cb -0.14 -4.38 0.23 0.00 0.03 0.00 0.00 46.19 41.94 3ihp s LEU 186 CO 0.04 -0.73 1.07 -1.81 0.23 0.00 0.00 176.35 175.14 3ihp s ASP 187 N -1.73 1.86 -1.46 2.29 1.01 -1.26 -4.02 116.67 113.36 3ihp s ASP 187 Ca 0.64 1.29 -0.06 0.00 0.71 0.00 0.00 52.55 55.13 3ihp s ASP 187 Cb -0.21 -2.01 0.05 0.00 1.01 0.00 0.00 42.92 41.76 3ihp s ASP 187 CO 0.25 -3.62 0.67 0.59 0.21 0.00 0.00 175.17 173.27 3ihp n ASN 188 N -4.51 -1.99 -4.76 0.27 3.02 -1.26 -4.91 115.26 101.12 3ihp n ASN 188 Ca 0.04 -0.91 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 3ihp n ASN 188 Cb 0.56 -3.43 0.01 0.00 -0.61 0.00 0.00 39.78 36.31 3ihp n ASN 188 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ihp s PRO 189 N -6.49 3.36 0.60 3.52 0.04 -1.26 -4.98 135.00 129.80 3ihp s PRO 189 Ca 0.27 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 3ihp s PRO 189 Cb -0.14 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3ihp s PRO 189 CO 0.86 -0.89 1.10 0.00 0.04 0.00 0.00 177.00 178.11 3ihp s ALA 190 N -1.57 2.61 -0.29 8.56 0.00 -1.26 -5.00 121.76 124.81 3ihp s ALA 190 Ca 0.71 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 3ihp s ALA 190 Cb -0.30 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.52 3ihp s ALA 190 CO 0.34 -0.98 0.96 1.03 0.00 0.00 0.00 175.76 177.11 3ihp s ARG 191 N -3.78 4.09 -0.24 0.00 3.00 -1.26 -4.74 118.95 116.02 3ihp s ARG 191 Ca 0.68 0.98 -0.20 0.00 0.00 0.00 0.00 55.73 57.19 3ihp s ARG 191 Cb -0.21 -3.70 -0.02 0.00 0.00 0.00 0.00 34.95 31.02 3ihp s ARG 191 CO 0.35 -0.74 0.62 0.42 0.00 0.00 0.00 175.30 175.95 3ihp s ILE 192 N 3.27 5.00 0.85 1.52 1.09 -1.06 -5.07 121.20 126.80 3ihp s ILE 192 Ca 0.40 1.12 -0.12 0.00 -1.10 0.00 0.00 60.65 60.96 3ihp s ILE 192 Cb -0.14 -3.93 0.11 0.00 -1.06 0.00 0.00 42.46 37.44 3ihp s ILE 192 CO 0.12 0.05 1.17 -2.84 -0.10 0.00 0.00 174.94 173.33 3ihp s PRO 193 N 2.37 1.43 -0.04 2.79 0.02 -1.26 -4.88 135.00 135.43 3ihp s PRO 193 Ca 0.26 1.60 0.06 0.00 0.02 0.00 0.00 61.00 62.95 3ihp s PRO 193 Cb -0.16 -1.77 0.26 0.00 0.02 0.00 0.00 34.50 32.85 3ihp s PRO 193 CO 0.09 -2.34 1.07 -0.35 -0.33 0.00 0.00 177.00 175.14 3ihp n PRO 194 N -3.73 1.97 0.00 5.54 -0.05 -1.26 -4.93 135.00 132.54 3ihp n PRO 194 Ca 0.12 -1.01 0.00 0.00 -0.05 0.00 0.00 63.50 62.56 3ihp n PRO 194 Cb 0.51 -1.47 0.00 0.00 -0.05 0.00 0.00 33.50 32.49 3ihp n PRO 194 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ihp n GLY 196 N -0.00 0.52 3.75 0.00 0.00 -1.26 -4.97 105.19 103.23 3ihp n GLY 196 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 3ihp n GLY 196 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ihp s TRP 197 N -1.94 2.39 -0.04 1.61 0.51 -1.26 -5.07 118.94 115.14 3ihp s TRP 197 Ca 0.00 1.54 -0.04 0.00 -2.12 0.00 0.00 56.10 55.48 3ihp s TRP 197 Cb 0.00 -3.41 0.01 0.00 -0.81 0.00 0.00 33.47 29.26 3ihp s TRP 197 CO 0.00 -2.14 0.12 0.15 -0.51 0.00 0.00 176.95 174.57 3ihp s LYS 198 N -3.58 0.17 -0.23 4.98 1.02 -1.26 -4.58 119.74 116.27 3ihp s LYS 198 Ca 0.74 0.10 -0.40 0.00 0.02 0.00 0.00 55.97 56.43 3ihp s LYS 198 Cb -0.28 0.08 -0.16 0.00 -0.52 0.00 0.00 37.83 36.95 3ihp s LYS 198 CO 0.36 -0.03 1.66 0.00 -0.92 0.00 0.00 175.35 176.43 3ihp h SER 200 N 6.59 0.40 0.00 0.00 0.87 -1.52 -3.33 113.55 116.55 3ihp h SER 200 Ca -0.47 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 3ihp h SER 200 Cb 1.33 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 3ihp h SER 200 CO 0.93 0.10 0.00 0.29 -0.53 0.00 0.00 176.83 177.62 3ihp n LYS 201 N -4.55 0.00 0.00 2.24 4.01 -1.26 -5.01 118.16 113.59 3ihp n LYS 201 Ca 0.24 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 3ihp n LYS 201 Cb 0.86 -0.65 0.00 0.00 -0.51 0.00 0.00 35.03 34.73 3ihp n LYS 201 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ihp n ASP 203 N 0.00 0.77 -4.46 0.00 9.92 -1.26 -4.55 116.55 116.96 3ihp n ASP 203 Ca 0.00 -0.41 -0.38 0.00 -0.53 0.00 0.00 54.79 53.47 3ihp n ASP 203 Cb 0.00 1.48 0.04 0.00 -0.64 0.00 0.00 41.12 42.00 3ihp n ASP 203 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3ihp n MET 204 N -1.84 0.49 -0.00 -1.24 2.81 -1.26 -4.63 117.12 111.45 3ihp n MET 204 Ca -0.00 0.19 0.01 0.00 -1.81 0.00 0.00 57.70 56.09 3ihp n MET 204 Cb 0.40 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 3ihp n MET 204 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3ihp n ARG 205 N -0.08 2.01 -4.36 0.03 1.85 -1.26 -1.74 116.66 113.12 3ihp n ARG 205 Ca 0.11 -0.02 -0.29 0.00 -1.00 0.00 0.00 57.85 56.66 3ihp n ARG 205 Cb 0.48 -0.93 -0.12 0.00 -1.05 0.00 0.00 32.46 30.84 3ihp n ARG 205 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3ihp s GLU 206 N -1.90 1.56 -0.59 2.89 0.41 -1.26 -4.75 118.70 115.06 3ihp s GLU 206 Ca -0.00 -1.30 -0.02 0.00 -0.41 0.00 0.00 54.97 53.24 3ihp s GLU 206 Cb 0.02 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 3ihp s GLU 206 CO 0.12 0.46 0.50 -1.71 -0.49 0.00 0.00 175.26 174.14 3ihp n ASN 207 N 0.80 -3.01 -4.68 -0.19 2.85 -1.26 -4.85 115.26 104.92 3ihp n ASN 207 Ca -0.17 -0.27 -0.35 0.00 -0.11 0.00 0.00 54.58 53.68 3ihp n ASN 207 Cb 0.53 -2.62 -0.09 0.00 1.24 0.00 0.00 39.78 38.84 3ihp n ASN 207 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3ihp s LEU 208 N -3.97 4.05 -0.22 1.20 1.43 -1.26 -2.32 118.68 117.60 3ihp s LEU 208 Ca 0.13 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 3ihp s LEU 208 Cb -0.06 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3ihp s LEU 208 CO 0.34 0.15 0.08 0.26 0.23 0.00 0.00 176.35 177.41 3ihp s TRP 209 N 0.53 3.20 -0.28 0.29 0.52 0.65 -0.20 118.94 123.66 3ihp s TRP 209 Ca 0.06 -0.06 -0.14 0.00 0.02 0.00 0.00 56.10 55.99 3ihp s TRP 209 Cb -0.12 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 3ihp s TRP 209 CO 0.00 -0.04 0.32 -1.17 0.02 0.00 0.00 176.95 176.08 3ihp s LEU 210 N 0.94 4.07 -0.12 2.99 2.96 0.58 -1.83 118.68 128.28 3ihp s LEU 210 Ca 0.05 0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 3ihp s LEU 210 Cb -0.14 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 3ihp s LEU 210 CO 0.03 -0.16 0.97 0.21 -1.32 0.00 0.00 176.35 176.08 3ihp s ASN 211 N 1.68 7.19 0.00 3.68 3.84 -0.82 0.38 114.94 130.90 3ihp s ASN 211 Ca 0.12 1.47 0.12 0.00 0.21 0.00 0.00 52.86 54.78 3ihp s ASN 211 Cb -0.16 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.51 3ihp s ASN 211 CO 0.10 -0.44 1.38 0.18 -2.79 0.00 0.00 177.10 175.53 3ihp n LEU 212 N 5.04 0.00 -0.07 3.21 4.77 -0.82 -1.94 117.00 127.19 3ihp n LEU 212 Ca 0.08 0.49 -0.23 0.00 -0.03 0.00 0.00 56.01 56.33 3ihp n LEU 212 Cb 0.49 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 3ihp n LEU 212 CO 0.51 -0.29 -0.80 0.41 -1.33 0.00 0.00 177.39 175.89 3ihp n THR 213 N -1.49 1.61 -0.03 -5.08 -1.04 -1.26 -4.68 114.28 102.31 3ihp n THR 213 Ca 0.03 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 3ihp n THR 213 Cb 0.14 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 3ihp n THR 213 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3ihp n ASP 214 N -4.01 0.26 -0.88 8.00 5.75 -1.22 -1.05 116.55 123.40 3ihp n ASP 214 Ca -0.36 -0.61 -0.06 0.00 -0.01 0.00 0.00 54.79 53.75 3ihp n ASP 214 Cb 0.85 0.64 0.00 0.00 -1.03 0.00 0.00 41.12 41.59 3ihp n ASP 214 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ihp n GLY 215 N 0.64 0.22 3.80 6.12 0.00 -0.82 -4.75 105.19 110.41 3ihp n GLY 215 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3ihp n GLY 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ihp s SER 216 N -2.82 7.02 -0.14 1.61 1.04 -1.26 -4.88 113.70 114.27 3ihp s SER 216 Ca 0.04 1.79 0.02 0.00 0.48 0.00 0.00 55.95 58.27 3ihp s SER 216 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3ihp s SER 216 CO 0.05 -0.30 -0.19 -0.63 0.98 0.00 0.00 173.24 173.16 3ihp s ILE 217 N -1.93 2.43 0.00 -1.02 1.01 -1.26 -1.95 121.20 118.48 3ihp s ILE 217 Ca 0.58 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 3ihp s ILE 217 Cb -0.14 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.39 3ihp s ILE 217 CO 0.18 0.53 0.50 -0.76 0.00 0.00 0.00 174.94 175.40 3ihp s LEU 218 N 0.66 0.04 0.62 2.97 1.43 -0.76 -1.20 118.68 122.45 3ihp s LEU 218 Ca -0.09 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 3ihp s LEU 218 Cb -0.16 1.99 -0.03 0.00 0.03 0.00 0.00 46.19 48.02 3ihp s LEU 218 CO 0.02 -0.61 1.04 0.00 0.23 0.00 0.00 176.35 177.03 3ihp n GLY 220 N -1.63 -0.67 3.78 0.00 0.00 -0.98 -0.92 105.19 104.77 3ihp n GLY 220 Ca 0.08 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 3ihp n GLY 220 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ihp s ARG 221 N 0.00 2.82 0.16 1.61 3.52 -1.26 0.39 118.95 126.19 3ihp s ARG 221 Ca 0.00 -0.99 0.11 0.00 -0.13 0.00 0.00 55.73 54.72 3ihp s ARG 221 Cb 0.00 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 3ihp s ARG 221 CO 0.00 0.45 -0.25 0.50 -0.81 0.00 0.00 175.30 175.18 3ihp s ARG 222 N -3.38 1.48 0.36 5.12 3.52 -1.26 -3.22 118.95 121.56 3ihp s ARG 222 Ca 0.31 -1.42 0.09 0.00 -0.13 0.00 0.00 55.73 54.58 3ihp s ARG 222 Cb -0.09 -1.89 -0.06 0.00 -1.56 0.00 0.00 34.95 31.35 3ihp s ARG 222 CO 0.23 0.43 -0.02 0.71 -0.81 0.00 0.00 175.30 175.84 3ihp s TYR 223 N -1.35 2.49 0.00 5.12 1.51 -1.18 -5.02 117.35 118.92 3ihp s TYR 223 Ca 0.17 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 3ihp s TYR 223 Cb -0.09 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 3ihp s TYR 223 CO 0.08 0.50 1.53 1.97 -1.11 0.00 0.00 175.55 178.52 3ihp n PHE 224 N -0.91 0.00 0.05 2.71 1.16 -1.26 -2.16 117.46 117.05 3ihp n PHE 224 Ca -0.04 -0.76 0.03 0.00 -1.87 0.00 0.00 57.45 54.80 3ihp n PHE 224 Cb 0.64 -0.41 -0.05 0.00 -1.61 0.00 0.00 39.48 38.05 3ihp n PHE 224 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3ihp n ASP 225 N 1.32 2.97 0.00 5.98 5.68 -1.26 -5.05 116.55 126.19 3ihp n ASP 225 Ca 0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 3ihp n ASP 225 Cb 0.44 1.26 0.00 0.00 -1.14 0.00 0.00 41.12 41.67 3ihp n ASP 225 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ihp n GLY 226 N 1.97 3.00 3.73 6.12 0.00 -0.92 -5.10 105.19 113.98 3ihp n GLY 226 Ca -0.01 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3ihp n GLY 226 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ihp s SER 227 N -0.06 6.43 0.00 1.61 0.01 -1.26 -4.82 113.70 115.62 3ihp s SER 227 Ca 0.00 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.09 3ihp s SER 227 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3ihp s SER 227 CO 0.00 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.35 3ihp n GLY 228 N 3.34 0.54 0.00 3.44 0.00 -1.26 -3.09 105.19 108.16 3ihp n GLY 228 Ca 0.13 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3ihp n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihp n GLY 229 N 0.00 3.51 2.03 -0.02 0.00 -1.20 -4.90 105.19 104.62 3ihp n GLY 229 Ca 0.00 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 3ihp n GLY 229 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ihp n ASN 230 N 0.00 5.10 -0.74 1.61 4.13 -1.16 -4.19 115.26 120.01 3ihp n ASN 230 Ca 0.00 -3.73 -0.10 0.00 1.68 0.00 0.00 54.58 52.43 3ihp n ASN 230 Cb 0.00 -0.79 -0.04 0.00 -1.54 0.00 0.00 39.78 37.41 3ihp n ASN 230 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3ihp n ASN 231 N -1.01 -5.29 0.07 6.41 3.02 0.16 -4.86 115.26 113.76 3ihp n ASN 231 Ca 0.54 0.24 -0.10 0.00 -0.03 0.00 0.00 54.58 55.22 3ihp n ASN 231 Cb 1.09 -3.64 -0.13 0.00 -0.61 0.00 0.00 39.78 36.50 3ihp n ASN 231 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 3ihp h HIS 232 N 0.00 0.18 -0.13 3.10 3.86 -1.67 -2.94 115.15 117.55 3ihp h HIS 232 Ca -0.20 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 58.83 3ihp h HIS 232 Cb 1.00 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.46 3ihp h HIS 232 CO 0.51 1.11 -0.10 0.00 0.86 0.00 0.00 177.93 180.31 3ihp h ALA 233 N 0.84 0.18 -0.70 2.45 0.00 -1.26 -2.61 119.26 118.17 3ihp h ALA 233 Ca -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ihp h ALA 233 Cb 1.86 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 3ihp h ALA 233 CO 0.15 0.01 0.39 -0.24 0.00 0.00 0.00 179.25 179.57 3ihp h VAL 234 N -0.08 1.21 0.00 0.00 3.04 -1.79 -1.73 116.25 116.90 3ihp h VAL 234 Ca 0.02 -0.52 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 3ihp h VAL 234 Cb 0.60 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.17 3ihp h VAL 234 CO 0.03 0.23 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.69 3ihp h GLU 235 N 0.95 0.00 0.10 4.17 4.57 -1.53 0.19 114.58 123.03 3ihp h GLU 235 Ca 0.25 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.17 3ihp h GLU 235 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3ihp h GLU 235 CO -0.04 0.04 -1.17 1.25 -1.18 0.00 0.00 179.01 177.91 3ihp h HIS 236 N 0.00 0.44 -0.13 0.92 2.76 -0.94 -2.83 115.15 115.37 3ihp h HIS 236 Ca -0.00 -0.31 -0.05 0.00 -2.20 0.00 0.00 60.37 57.81 3ihp h HIS 236 Cb 0.22 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 3ihp h HIS 236 CO 0.00 1.22 -0.11 -0.92 -1.30 0.00 0.00 177.93 176.82 3ihp h TYR 237 N 0.08 0.37 -0.90 5.26 3.20 -0.25 -1.51 116.97 123.21 3ihp h TYR 237 Ca -0.11 -0.11 0.19 0.00 3.14 0.00 0.00 58.73 61.84 3ihp h TYR 237 Cb 1.89 -0.08 -0.11 0.00 1.54 0.00 0.00 36.73 39.98 3ihp h TYR 237 CO 0.06 0.69 0.46 -0.09 -1.64 0.00 0.00 178.16 177.64 3ihp h ARG 238 N -0.06 0.55 0.04 1.82 9.65 -0.82 0.58 114.38 126.13 3ihp h ARG 238 Ca 0.02 -0.03 -0.22 0.00 -1.10 0.00 0.00 59.98 58.65 3ihp h ARG 238 Cb 0.62 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3ihp h ARG 238 CO 0.03 0.36 -1.00 1.49 2.80 0.00 0.00 179.97 183.65 3ihp h GLU 239 N 0.56 0.20 0.00 0.20 4.81 -1.26 -3.38 114.58 115.71 3ihp h GLU 239 Ca 0.53 -0.27 -0.20 0.00 -0.13 0.00 0.00 59.36 59.29 3ihp h GLU 239 Cb 0.88 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3ihp h GLU 239 CO -0.43 1.05 -1.79 0.25 -0.73 0.00 0.00 179.01 177.36 3ihp n THR 240 N -3.58 0.76 -0.84 0.32 -2.24 -0.59 -5.01 114.28 103.11 3ihp n THR 240 Ca -0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3ihp n THR 240 Cb 0.89 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3ihp n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihp n GLY 241 N 2.26 0.77 3.67 3.38 0.00 0.20 -5.02 105.19 110.44 3ihp n GLY 241 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3ihp n GLY 241 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ihp s TYR 242 N -2.92 2.78 -0.04 1.61 2.02 -1.26 -4.95 117.35 114.59 3ihp s TYR 242 Ca 0.00 0.91 0.04 0.00 -0.37 0.00 0.00 57.07 57.66 3ihp s TYR 242 Cb 0.00 -3.56 -0.25 0.00 -0.40 0.00 0.00 41.96 37.76 3ihp s TYR 242 CO 0.00 -1.98 0.67 -1.00 -1.57 0.00 0.00 175.55 171.67 3ihp h PRO 243 N 8.26 0.12 -5.84 -1.71 0.13 -1.95 -3.44 132.00 127.57 3ihp h PRO 243 Ca -0.30 -0.21 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 3ihp h PRO 243 Cb 1.12 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 3ihp h PRO 243 CO 0.95 0.84 -0.53 -0.51 -0.23 0.00 0.00 178.00 178.52 3ihp s LEU 244 N -6.56 4.14 -0.08 1.56 1.43 -1.26 -0.26 118.68 117.64 3ihp s LEU 244 Ca -0.10 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 3ihp s LEU 244 Cb 0.07 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 44.04 3ihp s LEU 244 CO 0.82 0.32 0.24 0.00 0.23 0.00 0.00 176.35 177.96 3ihp s ALA 245 N -1.16 -0.60 -0.02 4.21 0.00 -0.51 -1.94 121.76 121.74 3ihp s ALA 245 Ca 0.21 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 3ihp s ALA 245 Cb -0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3ihp s ALA 245 CO 0.11 -0.13 0.04 0.54 0.00 0.00 0.00 175.76 176.32 3ihp s VAL 246 N -0.08 4.47 -0.37 0.00 0.11 0.16 -0.89 120.40 123.81 3ihp s VAL 246 Ca -0.02 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.31 3ihp s VAL 246 Cb -0.02 -2.99 0.01 0.00 -1.53 0.00 0.00 36.38 31.85 3ihp s VAL 246 CO 0.01 0.41 1.20 -0.75 -3.33 0.00 0.00 175.10 172.64 3ihp s LYS 247 N -1.49 3.88 0.02 1.54 2.20 -0.86 -0.31 119.74 124.72 3ihp s LYS 247 Ca 0.20 0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 56.48 3ihp s LYS 247 Cb -0.12 -3.86 -0.07 0.00 -1.51 0.00 0.00 37.83 32.28 3ihp s LYS 247 CO 0.10 -1.17 1.63 -0.51 -0.36 0.00 0.00 175.35 175.04 3ihp s LEU 248 N 4.28 4.35 0.00 5.43 1.43 0.72 -2.12 118.68 132.77 3ihp s LEU 248 Ca 0.51 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 3ihp s LEU 248 Cb -0.12 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3ihp s LEU 248 CO 0.24 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.55 3ihp n GLY 249 N 4.01 1.15 0.00 -3.19 0.00 -1.26 -4.31 105.19 101.59 3ihp n GLY 249 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3ihp n GLY 249 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ihp n THR 250 N -0.28 0.11 -2.43 2.61 -2.24 -0.90 -5.02 114.28 106.12 3ihp n THR 250 Ca 0.00 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 3ihp n THR 250 Cb 0.00 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 3ihp n THR 250 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ihp s ILE 251 N -0.11 4.17 0.04 2.28 1.01 -1.26 -4.37 121.20 122.96 3ihp s ILE 251 Ca 0.00 1.33 0.03 0.00 0.00 0.00 0.00 60.65 62.01 3ihp s ILE 251 Cb 0.00 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3ihp s ILE 251 CO 0.00 -0.45 -0.10 0.42 0.00 0.00 0.00 174.94 174.80 3ihp s THR 252 N 4.28 0.79 0.18 2.92 -4.23 -0.31 -5.04 115.64 114.24 3ihp s THR 252 Ca 0.56 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 3ihp s THR 252 Cb -0.17 -0.77 0.22 0.00 1.34 0.00 0.00 72.50 73.13 3ihp s THR 252 CO 0.22 -0.16 0.86 -2.65 -0.54 0.00 0.00 174.62 172.35 3ihp n PRO 253 N 1.79 -0.04 0.31 3.99 -0.02 -1.26 -1.68 135.00 138.09 3ihp n PRO 253 Ca -0.20 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3ihp n PRO 253 Cb 0.55 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.65 3ihp n PRO 253 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ihp h ASP 254 N 0.00 -0.70 0.00 2.55 3.32 -1.96 -3.48 116.42 116.15 3ihp h ASP 254 Ca 0.37 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3ihp h ASP 254 Cb 0.83 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3ihp h ASP 254 CO -0.49 -0.34 0.00 0.61 -1.72 0.00 0.00 179.24 177.29 3ihp n GLY 255 N -0.45 3.57 3.75 2.75 0.00 -0.68 -5.16 105.19 108.97 3ihp n GLY 255 Ca -0.10 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 3ihp n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihp s ALA 256 N -1.18 -1.32 -0.29 4.61 0.00 -1.26 -1.16 121.76 121.16 3ihp s ALA 256 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 3ihp s ALA 256 Cb 0.00 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 3ihp s ALA 256 CO 0.00 -0.97 0.75 -0.51 0.00 0.00 0.00 175.76 175.03 3ihp s ASP 257 N -2.88 6.66 -0.13 0.00 1.01 -1.26 -5.02 116.67 115.06 3ihp s ASP 257 Ca 0.08 0.70 0.02 0.00 0.71 0.00 0.00 52.55 54.06 3ihp s ASP 257 Cb -0.05 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 3ihp s ASP 257 CO 0.02 -0.55 -0.19 -0.69 0.21 0.00 0.00 175.17 173.98 3ihp s VAL 258 N 2.83 2.49 -0.09 -1.27 1.01 -1.26 -2.02 120.40 122.08 3ihp s VAL 258 Ca 0.31 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3ihp s VAL 258 Cb -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3ihp s VAL 258 CO 0.11 0.54 -0.07 -0.47 0.00 0.00 0.00 175.10 175.21 3ihp s TYR 259 N 0.50 2.94 -0.32 5.22 5.04 -0.07 -0.60 117.35 130.07 3ihp s TYR 259 Ca -0.12 -0.11 -0.11 0.00 -2.44 0.00 0.00 57.07 54.28 3ihp s TYR 259 Cb -0.17 -1.78 -0.02 0.00 0.35 0.00 0.00 41.96 40.35 3ihp s TYR 259 CO 0.05 0.20 0.19 0.45 -1.34 0.00 0.00 175.55 175.10 3ihp s SER 260 N -0.43 5.80 0.30 4.32 0.15 0.04 -1.42 113.70 122.45 3ihp s SER 260 Ca 0.06 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.38 3ihp s SER 260 Cb -0.12 -2.07 0.48 0.00 -1.71 0.00 0.00 66.02 62.60 3ihp s SER 260 CO 0.02 -0.19 1.72 1.88 1.20 0.00 0.00 173.24 177.88 3ihp h TYR 261 N 8.41 0.28 -0.02 3.44 0.05 -0.93 0.23 116.97 128.42 3ihp h TYR 261 Ca -0.32 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.26 3ihp h TYR 261 Cb 1.16 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 3ihp h TYR 261 CO 0.67 0.60 -0.58 0.22 -1.05 0.00 0.00 178.16 178.02 3ihp h ASP 262 N 0.21 0.09 -0.01 3.88 1.82 -1.93 -3.21 116.42 117.26 3ihp h ASP 262 Ca 0.02 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3ihp h ASP 262 Cb 0.77 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.76 3ihp h ASP 262 CO 0.06 0.64 -0.28 -0.62 -1.61 0.00 0.00 179.24 177.43 3ihp n GLU 263 N -3.87 2.30 -3.73 0.28 1.02 -1.20 -5.02 120.64 110.44 3ihp n GLU 263 Ca -0.02 -0.52 -0.28 0.00 -0.02 0.00 0.00 57.16 56.33 3ihp n GLU 263 Cb 0.58 -1.09 0.03 0.00 -0.02 0.00 0.00 31.44 30.94 3ihp n GLU 263 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ihp n ASP 264 N -0.43 -3.67 -3.53 1.62 2.03 0.05 -5.00 116.55 107.63 3ihp n ASP 264 Ca 0.04 -0.98 -0.11 0.00 0.52 0.00 0.00 54.79 54.26 3ihp n ASP 264 Cb 0.22 -3.47 -0.03 0.00 -0.72 0.00 0.00 41.12 37.12 3ihp n ASP 264 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3ihp s ASP 265 N -3.79 -0.41 0.16 1.67 1.01 -1.12 -5.02 116.67 109.18 3ihp s ASP 265 Ca 0.30 -0.14 -0.30 0.00 0.71 0.00 0.00 52.55 53.12 3ihp s ASP 265 Cb -0.10 0.53 -0.07 0.00 1.01 0.00 0.00 42.92 44.29 3ihp s ASP 265 CO 0.86 -0.90 1.06 -0.04 0.21 0.00 0.00 175.17 176.36 3ihp s MET 266 N -3.71 4.63 0.23 8.23 -1.94 -1.26 -0.78 119.30 124.69 3ihp s MET 266 Ca 0.02 1.65 0.01 0.00 -1.71 0.00 0.00 55.69 55.65 3ihp s MET 266 Cb 0.00 -3.30 -0.05 0.00 2.01 0.00 0.00 34.83 33.50 3ihp s MET 266 CO -0.12 0.12 0.09 0.14 -0.01 0.00 0.00 175.02 175.24 3ihp s VAL 267 N -0.21 0.45 -0.11 -6.03 -7.23 0.23 -4.59 120.40 102.91 3ihp s VAL 267 Ca 0.49 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 3ihp s VAL 267 Cb -0.28 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 3ihp s VAL 267 CO 0.34 -0.09 0.04 -0.76 -0.31 0.00 0.00 175.10 174.31 3ihp s LEU 268 N -3.25 3.78 -0.40 1.32 1.43 -0.46 -4.18 118.68 116.92 3ihp s LEU 268 Ca 0.35 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3ihp s LEU 268 Cb 0.07 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.51 3ihp s LEU 268 CO 0.11 0.35 0.12 -0.62 0.23 0.00 0.00 176.35 176.55 3ihp s ASP 269 N -0.72 4.64 0.00 2.29 2.15 -1.26 -1.68 116.67 122.09 3ihp s ASP 269 Ca 0.12 -2.43 0.06 0.00 0.43 0.00 0.00 52.55 50.73 3ihp s ASP 269 Cb -0.12 -1.64 0.30 0.00 -0.30 0.00 0.00 42.92 41.16 3ihp s ASP 269 CO 0.02 -0.34 1.05 -2.65 -0.17 0.00 0.00 175.17 173.09 3ihp n PRO 270 N 3.90 0.08 -0.25 4.34 -0.02 -1.26 -1.01 135.00 140.77 3ihp n PRO 270 Ca 0.04 0.24 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3ihp n PRO 270 Cb 0.39 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.56 3ihp n PRO 270 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ihp n SER 271 N -1.31 3.24 -0.21 2.55 7.64 -1.26 -4.80 113.62 119.47 3ihp n SER 271 Ca 0.03 -2.10 -0.01 0.00 1.01 0.00 0.00 58.87 57.80 3ihp n SER 271 Cb 0.05 -0.31 0.06 0.00 -1.01 0.00 0.00 64.21 63.00 3ihp n SER 271 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3ihp h LEU 272 N 2.43 -0.61 -0.32 -3.43 5.85 -1.47 -1.71 115.31 116.05 3ihp h LEU 272 Ca 0.00 0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3ihp h LEU 272 Cb 0.86 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 3ihp h LEU 272 CO 0.03 -0.21 -0.16 0.00 -0.34 0.00 0.00 178.44 177.75 3ihp h ALA 273 N 1.60 0.09 -0.09 1.25 0.00 -1.87 0.52 119.26 120.76 3ihp h ALA 273 Ca 0.30 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3ihp h ALA 273 Cb 0.47 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ihp h ALA 273 CO -0.65 -0.55 -0.15 0.93 0.00 0.00 0.00 179.25 178.83 3ihp h GLU 274 N -0.11 0.14 -0.27 0.00 4.39 -1.72 -0.43 114.58 116.58 3ihp h GLU 274 Ca 0.16 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 3ihp h GLU 274 Cb 0.36 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3ihp h GLU 274 CO -0.39 0.29 -0.49 0.45 -1.16 0.00 0.00 179.01 177.71 3ihp h HIS 275 N 0.13 1.02 -0.01 4.33 3.86 -0.29 -2.73 115.15 121.45 3ihp h HIS 275 Ca 0.03 -0.36 -0.13 0.00 -1.16 0.00 0.00 60.37 58.75 3ihp h HIS 275 Cb 0.35 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3ihp h HIS 275 CO 0.00 1.17 -0.59 -0.07 0.86 0.00 0.00 177.93 179.31 3ihp h LEU 276 N 0.57 0.05 -1.36 2.43 3.38 -0.75 -3.10 115.31 116.54 3ihp h LEU 276 Ca 0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ihp h LEU 276 Cb 1.10 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3ihp h LEU 276 CO 0.11 0.63 -0.06 -1.28 0.09 0.00 0.00 178.44 177.93 3ihp h SER 277 N 0.03 0.33 -0.79 -0.43 0.87 -0.94 -1.17 113.55 111.45 3ihp h SER 277 Ca -0.01 -0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.61 3ihp h SER 277 Cb 1.05 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 3ihp h SER 277 CO 0.08 0.44 0.52 -0.74 -0.53 0.00 0.00 176.83 176.60 3ihp h HIS 278 N 0.34 0.72 -0.00 2.24 -0.00 -1.40 -0.46 115.15 116.58 3ihp h HIS 278 Ca 0.07 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3ihp h HIS 278 Cb 0.33 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 3ihp h HIS 278 CO 0.01 0.32 -0.46 1.19 -0.00 0.00 0.00 177.93 178.98 3ihp n PHE 279 N -4.51 0.00 -0.11 5.26 3.72 -0.55 -4.84 117.46 116.43 3ihp n PHE 279 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 3ihp n PHE 279 Cb 0.39 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 3ihp n PHE 279 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ihp n GLY 280 N 1.43 1.18 3.00 1.37 0.00 -0.18 -2.57 105.19 109.41 3ihp n GLY 280 Ca 0.08 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3ihp n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihp s ILE 281 N -2.04 1.98 0.08 -0.61 1.01 -0.57 -4.85 121.20 116.21 3ihp s ILE 281 Ca 0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 60.65 58.58 3ihp s ILE 281 Cb 0.00 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 3ihp s ILE 281 CO 0.00 -0.33 0.75 1.51 0.00 0.00 0.00 174.94 176.87 3ihp s ASP 282 N 1.12 7.25 0.00 3.58 1.47 -1.26 -3.11 116.67 125.72 3ihp s ASP 282 Ca 0.01 1.48 0.30 0.00 1.18 0.00 0.00 52.55 55.53 3ihp s ASP 282 Cb -0.19 -2.47 1.53 0.00 -0.34 0.00 0.00 42.92 41.45 3ihp s ASP 282 CO -0.08 0.10 2.03 0.23 0.68 0.00 0.00 175.17 178.13 3ihp n MET 283 N 2.33 0.82 -2.90 2.11 0.00 -1.26 -4.99 117.12 113.22 3ihp n MET 283 Ca -0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 57.70 57.38 3ihp n MET 283 Cb 0.50 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 32.25 3ihp n MET 283 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3ihp n PRO 316 N -0.95 1.06 -3.97 0.03 -0.02 -1.26 -4.51 135.00 125.38 3ihp n PRO 316 Ca 0.18 -2.93 -0.35 0.00 -2.02 0.00 0.00 63.50 58.38 3ihp n PRO 316 Cb 0.22 -1.27 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 3ihp n PRO 316 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ihp s LEU 317 N -2.70 4.23 0.07 2.45 1.43 -1.26 -5.06 118.68 117.84 3ihp s LEU 317 Ca 0.31 0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 53.45 3ihp s LEU 317 Cb 0.38 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 3ihp s LEU 317 CO -0.04 0.33 1.71 -0.75 0.23 0.00 0.00 176.35 177.84 3ihp s LYS 318 N -1.45 4.18 0.45 1.70 2.20 -1.26 -4.80 119.74 120.76 3ihp s LYS 318 Ca 0.20 2.40 -0.24 0.00 -0.36 0.00 0.00 55.97 57.98 3ihp s LYS 318 Cb -0.12 -3.64 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 3ihp s LYS 318 CO 0.11 -0.78 1.21 -2.14 -0.36 0.00 0.00 175.35 173.39 3ihp s PRO 319 N 2.82 3.79 0.18 4.03 0.02 -1.26 -1.31 135.00 143.27 3ihp s PRO 319 Ca 0.76 1.90 0.11 0.00 0.02 0.00 0.00 61.00 63.79 3ihp s PRO 319 Cb -0.41 -2.51 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 3ihp s PRO 319 CO 0.34 -0.56 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.71 3ihp s LEU 320 N -2.86 2.42 0.00 -5.54 1.43 0.37 -4.86 118.68 109.64 3ihp s LEU 320 Ca 0.62 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3ihp s LEU 320 Cb -0.32 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.80 3ihp s LEU 320 CO 0.39 0.09 0.00 0.49 0.23 0.00 0.00 176.35 177.56 3ihp n PHE 321 N 0.35 0.00 0.00 0.29 3.72 -1.26 -4.76 117.46 115.80 3ihp n PHE 321 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3ihp n PHE 321 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3ihp n PHE 321 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ihp n GLY 322 N 0.18 -1.88 3.75 1.37 0.00 -1.26 -4.81 105.19 102.53 3ihp n GLY 322 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3ihp n GLY 322 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ihp n PRO 323 N 0.00 2.63 -0.98 1.61 -0.02 -1.21 -3.21 135.00 133.82 3ihp n PRO 323 Ca 0.00 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3ihp n PRO 323 Cb 0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.80 3ihp n PRO 323 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihp n GLY 324 N 1.62 0.91 2.36 -1.23 0.00 -0.17 -4.89 105.19 103.79 3ihp n GLY 324 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3ihp n GLY 324 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ihp n TYR 325 N -2.17 2.77 -3.66 1.61 4.02 -1.20 -5.00 117.16 113.54 3ihp n TYR 325 Ca 0.00 -2.68 -0.36 0.00 -0.01 0.00 0.00 57.90 54.85 3ihp n TYR 325 Cb 0.00 -0.22 -0.07 0.00 -0.02 0.00 0.00 39.34 39.03 3ihp n TYR 325 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3ihp s THR 326 N -4.81 5.37 0.63 -0.72 2.01 -1.26 -4.40 115.64 112.46 3ihp s THR 326 Ca 0.45 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 3ihp s THR 326 Cb 0.40 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 3ihp s THR 326 CO -0.07 0.43 1.03 -0.83 -0.69 0.00 0.00 174.62 174.50 3ihp s GLY 327 N 0.29 1.67 -0.12 4.40 0.00 -1.26 -4.99 107.32 107.30 3ihp s GLY 327 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.79 3ihp s GLY 327 CO 0.01 0.22 -0.12 -0.42 0.00 0.00 0.00 173.10 172.79 3ihp s ILE 328 N -3.15 1.33 -0.21 0.90 1.01 -0.53 -1.52 121.20 119.02 3ihp s ILE 328 Ca 0.56 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 3ihp s ILE 328 Cb -0.12 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3ihp s ILE 328 CO 0.54 0.41 1.85 -0.60 0.00 0.00 0.00 174.94 177.15 3ihp s ARG 329 N 1.37 3.56 0.13 2.79 6.06 0.21 -2.38 118.95 130.69 3ihp s ARG 329 Ca 0.01 1.81 -0.33 0.00 -2.50 0.00 0.00 55.73 54.72 3ihp s ARG 329 Cb -0.13 -4.18 -0.12 0.00 0.06 0.00 0.00 34.95 30.58 3ihp s ARG 329 CO -0.07 -1.59 1.74 -1.71 -2.50 0.00 0.00 175.30 171.17 3ihp n ASN 330 N 9.59 3.67 -1.93 -2.12 2.85 -1.26 -4.67 115.26 121.39 3ihp n ASN 330 Ca 0.23 1.03 0.02 0.00 -0.11 0.00 0.00 54.58 55.75 3ihp n ASN 330 Cb 0.45 -1.49 0.36 0.00 1.24 0.00 0.00 39.78 40.34 3ihp n ASN 330 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3ihp n LEU 331 N 4.69 5.83 -0.61 1.20 4.77 -1.26 -4.92 117.00 126.70 3ihp n LEU 331 Ca 0.18 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 3ihp n LEU 331 Cb 0.33 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3ihp n LEU 331 CO 0.66 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3ihp n GLY 332 N 0.33 -1.10 3.29 -0.72 0.00 -1.26 -4.80 105.19 100.92 3ihp n GLY 332 Ca 0.32 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3ihp n GLY 332 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ihp n ASN 333 N 0.00 -2.59 -0.62 1.61 3.02 -1.26 -4.75 115.26 110.68 3ihp n ASN 333 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 3ihp n ASN 333 Cb 0.00 -2.36 0.08 0.00 -0.61 0.00 0.00 39.78 36.89 3ihp n ASN 333 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ihp n SER 334 N -0.38 1.61 0.25 6.41 3.41 -1.26 -4.20 113.62 119.46 3ihp n SER 334 Ca 0.00 -2.13 0.12 0.00 -0.26 0.00 0.00 58.87 56.60 3ihp n SER 334 Cb 0.19 -0.37 0.67 0.00 -0.26 0.00 0.00 64.21 64.44 3ihp n SER 334 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ihp h TYR 336 N 0.00 0.82 0.20 0.00 -0.00 -1.84 -1.84 116.97 114.31 3ihp h TYR 336 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 58.73 58.63 3ihp h TYR 336 Cb 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 36.89 3ihp h TYR 336 CO 0.00 0.73 -0.10 1.25 -0.00 0.00 0.00 178.16 180.04 3ihp h LEU 337 N 0.68 -0.22 -0.36 0.10 6.46 -1.70 -1.90 115.31 118.37 3ihp h LEU 337 Ca 0.16 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.77 3ihp h LEU 337 Cb 0.31 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 3ihp h LEU 337 CO -0.00 0.08 0.10 0.78 -0.62 0.00 0.00 178.44 178.78 3ihp h ASN 338 N -0.54 0.09 -0.34 1.25 2.35 -1.41 -0.96 115.58 116.01 3ihp h ASN 338 Ca -0.03 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3ihp h ASN 338 Cb 0.41 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 3ihp h ASN 338 CO 0.04 0.08 0.05 0.28 -1.65 0.00 0.00 177.43 176.24 3ihp h SER 339 N 0.24 -0.02 -0.04 5.81 0.02 -1.28 -1.00 113.55 117.28 3ihp h SER 339 Ca 0.17 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3ihp h SER 339 Cb 0.16 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3ihp h SER 339 CO -0.19 0.03 0.01 0.58 -1.14 0.00 0.00 176.83 176.11 3ihp h VAL 340 N 0.16 1.20 0.00 2.27 2.07 -0.87 -2.94 116.25 118.15 3ihp h VAL 340 Ca 0.16 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3ihp h VAL 340 Cb 0.19 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3ihp h VAL 340 CO -0.22 0.17 -0.06 1.62 0.02 0.00 0.00 177.57 179.09 3ihp h VAL 341 N -0.17 0.95 -0.15 2.57 3.04 -1.07 -1.53 116.25 119.89 3ihp h VAL 341 Ca 0.01 -0.21 -0.21 0.00 -1.01 0.00 0.00 66.70 65.29 3ihp h VAL 341 Cb 0.26 1.11 0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3ihp h VAL 341 CO 0.00 0.06 -0.74 1.56 -1.01 0.00 0.00 177.57 177.44 3ihp h GLN 342 N 0.00 0.70 -0.14 4.17 1.08 -1.01 -2.50 115.11 117.42 3ihp h GLN 342 Ca -0.00 -0.55 -0.02 0.00 -1.45 0.00 0.00 58.65 56.63 3ihp h GLN 342 Cb 0.11 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3ihp h GLN 342 CO 0.01 1.17 0.01 0.28 -0.95 0.00 0.00 178.83 179.35 3ihp h VAL 343 N 0.49 1.23 -0.13 -0.54 2.07 -1.31 -3.10 116.25 114.96 3ihp h VAL 343 Ca -0.04 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3ihp h VAL 343 Cb 1.35 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 3ihp h VAL 343 CO 0.15 0.22 -0.36 -0.07 0.02 0.00 0.00 177.57 177.53 3ihp h LEU 344 N -0.00 -1.11 0.00 2.57 4.07 -1.26 0.15 115.31 119.73 3ihp h LEU 344 Ca 0.04 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.16 3ihp h LEU 344 Cb 0.33 0.46 0.00 0.00 1.08 0.00 0.00 40.66 42.53 3ihp h LEU 344 CO 0.00 -0.39 0.00 0.49 -1.08 0.00 0.00 178.44 177.47 3ihp n PHE 345 N -5.42 0.00 -0.01 1.13 3.01 -0.95 -0.57 117.46 114.65 3ihp n PHE 345 Ca -0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.54 3ihp n PHE 345 Cb 0.34 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 40.07 3ihp n PHE 345 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3ihp n SER 346 N -0.51 3.63 -4.30 4.37 7.64 0.04 -4.78 113.62 119.70 3ihp n SER 346 Ca 0.00 -1.99 -0.36 0.00 1.01 0.00 0.00 58.87 57.54 3ihp n SER 346 Cb 0.00 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 62.72 3ihp n SER 346 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ihp s ILE 347 N -1.24 3.60 0.33 0.44 1.01 0.26 -5.00 121.20 120.60 3ihp s ILE 347 Ca 0.42 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 60.38 3ihp s ILE 347 Cb 0.23 -2.84 0.34 0.00 0.01 0.00 0.00 42.46 40.19 3ihp s ILE 347 CO 0.31 0.12 1.64 -0.65 0.00 0.00 0.00 174.94 176.36 3ihp h PRO 348 N 8.16 0.20 -0.66 2.79 0.11 -1.90 0.27 132.00 140.97 3ihp h PRO 348 Ca -0.32 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.79 3ihp h PRO 348 Cb 1.12 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3ihp h PRO 348 CO 0.59 0.13 0.43 -0.44 -0.21 0.00 0.00 178.00 178.51 3ihp h ASP 349 N 0.21 0.73 0.09 -2.05 3.32 -1.94 0.48 116.42 117.26 3ihp h ASP 349 Ca 0.70 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.46 3ihp h ASP 349 Cb 1.60 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 40.99 3ihp h ASP 349 CO -0.68 0.52 -1.10 -0.26 -1.72 0.00 0.00 179.24 176.00 3ihp h PHE 350 N 0.86 0.98 -0.63 4.55 0.04 -1.23 -2.12 116.94 119.40 3ihp h PHE 350 Ca 0.25 -0.56 0.06 0.00 2.80 0.00 0.00 57.97 60.51 3ihp h PHE 350 Cb -0.06 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 37.94 3ihp h PHE 350 CO -0.00 1.40 0.34 1.96 -0.60 0.00 0.00 178.31 181.41 3ihp h GLN 351 N 0.34 0.61 -0.30 1.51 4.20 -0.64 -1.03 115.11 119.80 3ihp h GLN 351 Ca -0.14 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.38 3ihp h GLN 351 Cb 1.76 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 3ihp h GLN 351 CO 0.21 0.40 -0.44 -0.09 -0.67 0.00 0.00 178.83 178.25 3ihp h ARG 352 N 0.62 0.75 -0.05 1.46 2.43 -0.10 0.17 114.38 119.67 3ihp h ARG 352 Ca 0.28 -0.41 -0.22 0.00 -0.81 0.00 0.00 59.98 58.82 3ihp h ARG 352 Cb 0.18 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3ihp h ARG 352 CO -0.18 1.04 -0.84 -0.22 -1.51 0.00 0.00 179.97 178.26 3ihp h LYS 353 N 0.61 0.65 0.00 0.20 1.63 -1.07 -3.34 116.57 115.24 3ihp h LYS 353 Ca 0.04 -0.64 -0.13 0.00 -0.85 0.00 0.00 60.65 59.07 3ihp h LYS 353 Cb 0.99 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 3ihp h LYS 353 CO 0.09 1.24 -1.64 0.66 -3.45 0.00 0.00 179.45 176.35 3ihp n TYR 354 N -3.99 0.00 -0.13 1.91 4.01 -0.42 -4.41 117.16 114.13 3ihp n TYR 354 Ca -0.10 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.37 3ihp n TYR 354 Cb 0.78 -0.43 -0.11 0.00 -0.31 0.00 0.00 39.34 39.27 3ihp n TYR 354 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ihp n VAL 355 N -2.23 1.52 0.26 -0.72 0.31 0.52 -3.69 118.33 114.31 3ihp n VAL 355 Ca -0.12 -0.42 0.12 0.00 -0.01 0.00 0.00 64.34 63.91 3ihp n VAL 355 Cb 0.67 -1.78 0.73 0.00 -0.91 0.00 0.00 33.84 32.55 3ihp n VAL 355 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ihp h ASP 356 N -0.76 0.00 -0.28 4.52 3.32 -1.44 -2.89 116.42 118.89 3ihp h ASP 356 Ca -0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.39 3ihp h ASP 356 Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.23 3ihp h ASP 356 CO -0.34 0.11 0.00 0.29 -1.72 0.00 0.00 179.24 177.58 3ihp n LYS 357 N -3.72 3.02 -0.31 3.56 5.02 -1.25 -4.60 118.16 119.88 3ihp n LYS 357 Ca -0.02 -2.83 0.13 0.00 -2.02 0.00 0.00 58.31 53.57 3ihp n LYS 357 Cb 0.22 -1.85 0.31 0.00 -0.02 0.00 0.00 35.03 33.69 3ihp n LYS 357 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3ihp h LEU 358 N 1.92 0.34 0.61 -0.35 6.46 -1.58 -0.82 115.31 121.89 3ihp h LEU 358 Ca 0.00 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3ihp h LEU 358 Cb 1.44 0.13 0.01 0.00 -0.73 0.00 0.00 40.66 41.51 3ihp h LEU 358 CO 0.23 0.00 -0.29 -0.33 -0.62 0.00 0.00 178.44 177.43 3ihp h GLU 359 N 0.40 -0.79 -0.58 1.25 4.39 -1.86 -1.08 114.58 116.32 3ihp h GLU 359 Ca 0.56 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.39 3ihp h GLU 359 Cb 1.06 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.83 3ihp h GLU 359 CO -0.53 -0.52 0.24 0.87 -1.16 0.00 0.00 179.01 177.92 3ihp h LYS 360 N -0.83 0.44 -0.17 2.33 6.56 -1.79 0.32 116.57 123.43 3ihp h LYS 360 Ca -0.08 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.51 3ihp h LYS 360 Cb 0.63 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.17 3ihp h LYS 360 CO 0.14 0.29 0.01 0.82 -2.06 0.00 0.00 179.45 178.64 3ihp h ILE 361 N 0.45 0.89 -0.42 1.86 2.04 -0.99 0.14 117.51 121.48 3ihp h ILE 361 Ca 0.28 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 66.07 3ihp h ILE 361 Cb 0.29 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3ihp h ILE 361 CO -0.25 0.01 0.08 -0.26 0.00 0.00 0.00 178.15 177.73 3ihp h PHE 362 N 0.07 0.73 -0.81 1.37 0.04 -0.60 -0.59 116.94 117.14 3ihp h PHE 362 Ca 0.08 -0.10 0.12 0.00 2.80 0.00 0.00 57.97 60.87 3ihp h PHE 362 Cb 0.09 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 37.95 3ihp h PHE 362 CO -0.15 0.70 0.42 1.96 -0.60 0.00 0.00 178.31 180.63 3ihp h GLN 363 N 0.55 0.63 -0.02 1.51 1.08 -0.42 -1.65 115.11 116.79 3ihp h GLN 363 Ca 0.13 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3ihp h GLN 363 Cb 0.35 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3ihp h GLN 363 CO 0.01 0.42 0.00 0.09 -0.95 0.00 0.00 178.83 178.39 3ihp n ASN 364 N -4.85 1.02 -4.75 1.46 4.13 0.44 -4.93 115.26 107.79 3ihp n ASN 364 Ca 0.15 -1.36 -0.38 0.00 1.68 0.00 0.00 54.58 54.67 3ihp n ASN 364 Cb 0.36 -0.01 0.04 0.00 -1.54 0.00 0.00 39.78 38.63 3ihp n ASN 364 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ihp s ALA 365 N -1.99 2.78 1.13 5.41 0.00 -0.29 -5.02 121.76 123.79 3ihp s ALA 365 Ca 0.40 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 3ihp s ALA 365 Cb 0.21 -3.55 0.18 0.00 0.00 0.00 0.00 23.12 19.97 3ihp s ALA 365 CO 0.34 -1.32 0.71 -0.35 0.00 0.00 0.00 175.76 175.14 3ihp n PRO 366 N -1.08 -2.08 -0.23 0.00 -0.04 -1.26 -4.95 135.00 125.37 3ihp n PRO 366 Ca 0.11 -1.13 -0.01 0.00 -0.04 0.00 0.00 63.50 62.42 3ihp n PRO 366 Cb 0.46 -1.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.02 3ihp n PRO 366 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3ihp h THR 367 N -2.13 0.94 -3.22 0.52 2.02 -2.01 -3.33 112.91 105.70 3ihp h THR 367 Ca -0.26 -0.23 -0.75 0.00 0.77 0.00 0.00 66.41 65.95 3ihp h THR 367 Cb 0.78 0.23 -0.24 0.00 -1.74 0.00 0.00 68.15 67.17 3ihp h THR 367 CO 0.17 0.12 -0.30 -0.62 0.37 0.00 0.00 175.52 175.27 3ihp s ASP 368 N -5.57 6.07 0.00 4.18 -1.08 -1.26 -4.92 116.67 114.08 3ihp s ASP 368 Ca -0.13 -1.63 0.29 0.00 -0.52 0.00 0.00 52.55 50.57 3ihp s ASP 368 Cb 0.16 -2.16 1.35 0.00 -1.46 0.00 0.00 42.92 40.82 3ihp s ASP 368 CO 0.76 -0.74 1.94 -2.65 0.52 0.00 0.00 175.17 175.00 3ihp n PRO 369 N 5.16 0.54 0.24 4.34 -0.02 -1.25 -3.23 135.00 140.79 3ihp n PRO 369 Ca -0.12 -0.11 0.14 0.00 -2.02 0.00 0.00 63.50 61.38 3ihp n PRO 369 Cb 0.42 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.88 3ihp n PRO 369 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ihp h THR 370 N 0.27 0.18 -0.40 3.45 1.35 -1.92 -3.00 112.91 112.85 3ihp h THR 370 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3ihp h THR 370 Cb 0.33 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3ihp h THR 370 CO 0.00 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.35 3ihp n GLN 371 N -3.17 2.92 -3.46 4.72 1.13 -1.20 -4.82 117.38 113.50 3ihp n GLN 371 Ca 0.01 -2.28 -0.40 0.00 -1.94 0.00 0.00 57.00 52.39 3ihp n GLN 371 Cb 0.41 -1.42 -0.10 0.00 0.11 0.00 0.00 30.24 29.24 3ihp n GLN 371 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3ihp s ASP 372 N -1.11 6.13 0.10 1.08 2.15 -1.13 -4.99 116.67 118.90 3ihp s ASP 372 Ca 0.31 -0.24 -0.33 0.00 0.43 0.00 0.00 52.55 52.71 3ihp s ASP 372 Cb 0.18 -2.17 -0.13 0.00 -0.30 0.00 0.00 42.92 40.49 3ihp s ASP 372 CO 0.18 -0.27 1.58 0.15 -0.17 0.00 0.00 175.17 176.64 3ihp h PHE 373 N 8.44 -1.27 -0.54 -5.34 3.57 -1.91 -2.12 116.94 117.78 3ihp h PHE 373 Ca -0.31 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.32 3ihp h PHE 373 Cb 1.15 0.52 -0.11 0.00 2.79 0.00 0.00 35.95 40.31 3ihp h PHE 373 CO 0.69 -0.58 -0.18 0.77 -2.23 0.00 0.00 178.31 176.78 3ihp h SER 374 N -0.80 -0.65 -0.15 0.41 0.02 -1.96 -1.96 113.55 108.46 3ihp h SER 374 Ca -0.02 0.18 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3ihp h SER 374 Cb 0.76 0.39 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 3ihp h SER 374 CO -0.16 -0.22 -0.13 0.74 -1.14 0.00 0.00 176.83 175.91 3ihp h THR 375 N -0.05 0.62 -0.11 -2.27 2.02 -1.75 -0.94 112.91 110.43 3ihp h THR 375 Ca 0.25 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.35 3ihp h THR 375 Cb 0.44 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3ihp h THR 375 CO -0.58 0.00 -0.32 1.56 0.37 0.00 0.00 175.52 176.55 3ihp h GLN 376 N -0.15 0.22 -0.31 6.66 1.08 -0.84 0.31 115.11 122.07 3ihp h GLN 376 Ca 0.10 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 3ihp h GLN 376 Cb 0.30 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3ihp h GLN 376 CO -0.24 0.53 -0.08 0.28 -0.95 0.00 0.00 178.83 178.36 3ihp h VAL 377 N 0.19 1.28 -0.52 -0.54 2.07 -1.00 -1.88 116.25 115.86 3ihp h VAL 377 Ca 0.03 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 3ihp h VAL 377 Cb 0.67 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3ihp h VAL 377 CO 0.05 0.36 0.03 0.00 0.02 0.00 0.00 177.57 178.03 3ihp h ALA 378 N 0.80 0.69 -0.62 1.67 0.00 -0.51 0.14 119.26 121.43 3ihp h ALA 378 Ca 0.08 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ihp h ALA 378 Cb 0.57 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3ihp h ALA 378 CO 0.03 0.48 0.24 -0.22 0.00 0.00 0.00 179.25 179.79 3ihp h LYS 379 N 0.77 0.42 0.33 0.00 3.64 -0.30 0.34 116.57 121.76 3ihp h LYS 379 Ca 0.15 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3ihp h LYS 379 Cb 0.49 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3ihp h LYS 379 CO 0.02 0.28 -0.16 1.25 -2.27 0.00 0.00 179.45 178.57 3ihp h LEU 380 N 0.43 -0.37 -0.53 5.20 6.46 -1.12 -2.35 115.31 123.04 3ihp h LEU 380 Ca 0.31 -0.18 0.11 0.00 -0.12 0.00 0.00 57.88 58.00 3ihp h LEU 380 Cb 0.38 0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 40.30 3ihp h LEU 380 CO -0.30 0.04 -0.17 1.23 -0.62 0.00 0.00 178.44 178.62 3ihp h GLY 381 N -0.86 0.28 1.36 3.75 0.00 -0.43 0.16 103.07 107.33 3ihp h GLY 381 Ca -0.04 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3ihp h GLY 381 CO 0.07 -0.21 0.34 0.84 0.00 0.00 0.00 176.54 177.58 3ihp h HIS 382 N -0.05 0.82 -0.69 5.60 -0.00 -0.99 -1.98 115.15 117.86 3ihp h HIS 382 Ca 0.25 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.70 3ihp h HIS 382 Cb 0.43 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.53 3ihp h HIS 382 CO -0.48 0.57 0.46 0.78 -0.00 0.00 0.00 177.93 179.26 3ihp h GLY 383 N 0.91 0.84 1.44 5.26 0.00 -0.13 -2.21 103.07 109.18 3ihp h GLY 383 Ca 0.22 -0.25 -0.29 0.00 0.00 0.00 0.00 47.33 47.01 3ihp h GLY 383 CO -0.04 0.16 -1.38 1.41 0.00 0.00 0.00 176.54 176.69 3ihp h LEU 384 N 0.62 0.38 -1.02 3.11 3.38 -0.82 -3.38 115.31 117.57 3ihp h LEU 384 Ca 0.31 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ihp h LEU 384 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ihp h LEU 384 CO -0.10 1.37 -0.16 0.18 0.09 0.00 0.00 178.44 179.82 3ihp n LEU 385 N -3.47 1.76 0.00 1.67 4.77 -0.87 -1.00 117.00 119.85 3ihp n LEU 385 Ca -0.12 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 3ihp n LEU 385 Cb 1.03 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 3ihp n LEU 385 CO 0.52 0.31 0.00 -1.54 -1.33 0.00 0.00 177.39 175.34 3ihp n SER 386 N 0.13 0.00 -3.99 -1.43 3.41 -0.86 -4.28 113.62 106.60 3ihp n SER 386 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 3ihp n SER 386 Cb 0.42 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.21 3ihp n SER 386 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ihp s GLY 387 N 0.00 0.89 0.00 5.00 0.00 -1.26 -3.34 107.32 108.62 3ihp s GLY 387 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3ihp s GLY 387 CO 0.00 0.41 0.00 -1.84 0.00 0.00 0.00 173.10 171.67 3ihp n GLU 388 N 4.37 -1.91 0.00 2.90 0.28 -1.26 -5.12 120.64 119.91 3ihp n GLU 388 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 3ihp n GLU 388 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 3ihp n GLU 388 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ihp n GLY 411 N -1.48 0.56 3.07 -1.84 0.00 -1.26 -4.90 105.19 99.34 3ihp n GLY 411 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3ihp n GLY 411 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ihp s ILE 412 N 2.17 0.91 -0.40 -0.61 2.07 -0.58 -4.94 121.20 119.83 3ihp s ILE 412 Ca 0.00 -0.52 -0.02 0.00 -1.41 0.00 0.00 60.65 58.70 3ihp s ILE 412 Cb 0.00 -0.77 0.11 0.00 0.13 0.00 0.00 42.46 41.93 3ihp s ILE 412 CO 0.00 0.24 0.18 0.00 -1.91 0.00 0.00 174.94 173.45 3ihp s ALA 413 N -0.31 3.12 -0.18 1.50 0.00 -1.26 0.63 121.76 125.27 3ihp s ALA 413 Ca 0.04 -2.53 -0.02 0.00 0.00 0.00 0.00 51.96 49.46 3ihp s ALA 413 Cb -0.05 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.77 3ihp s ALA 413 CO -0.00 -1.78 2.35 -0.35 0.00 0.00 0.00 175.76 175.97 3ihp n PRO 414 N 4.55 1.63 -0.02 0.00 -0.04 -1.26 -4.55 135.00 135.30 3ihp n PRO 414 Ca -0.02 -1.03 0.01 0.00 -0.04 0.00 0.00 63.50 62.42 3ihp n PRO 414 Cb 0.41 -1.52 0.32 0.00 -0.04 0.00 0.00 33.50 32.67 3ihp n PRO 414 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3ihp h ARG 415 N 1.73 0.57 -0.60 0.54 0.11 -1.95 -0.15 114.38 114.64 3ihp h ARG 415 Ca 0.19 -0.09 -0.09 0.00 0.10 0.00 0.00 59.98 60.08 3ihp h ARG 415 Cb 1.01 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 3ihp h ARG 415 CO 0.43 0.52 0.03 1.98 0.10 0.00 0.00 179.97 183.03 3ihp h MET 416 N 0.56 1.03 -0.17 0.08 4.05 -1.99 -1.23 114.93 117.27 3ihp h MET 416 Ca 0.13 -0.32 -0.08 0.00 -0.28 0.00 0.00 59.70 59.15 3ihp h MET 416 Cb 0.21 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3ihp h MET 416 CO -0.00 1.01 -0.21 0.35 0.23 0.00 0.00 176.91 178.28 3ihp h PHE 417 N 0.93 0.53 -0.55 1.39 3.57 -1.78 -2.79 116.94 118.24 3ihp h PHE 417 Ca 0.17 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3ihp h PHE 417 Cb 0.52 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3ihp h PHE 417 CO 0.04 0.84 0.37 -0.22 -2.23 0.00 0.00 178.31 177.10 3ihp h LYS 418 N 0.08 0.58 -0.20 1.11 3.64 -0.91 -2.27 116.57 118.60 3ihp h LYS 418 Ca 0.02 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 3ihp h LYS 418 Cb 0.77 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3ihp h LYS 418 CO 0.05 0.38 -0.66 0.00 -2.27 0.00 0.00 179.45 176.95 3ihp h ALA 419 N 1.69 0.45 0.47 5.00 0.00 -1.10 -2.84 119.26 122.93 3ihp h ALA 419 Ca 0.23 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3ihp h ALA 419 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ihp h ALA 419 CO -0.06 0.69 -0.23 1.25 0.00 0.00 0.00 179.25 180.90 3ihp h LEU 420 N 0.55 -0.53 -1.53 0.00 6.46 -1.19 -2.67 115.31 116.39 3ihp h LEU 420 Ca -0.02 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 3ihp h LEU 420 Cb 1.26 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 3ihp h LEU 420 CO 0.14 -0.12 0.00 0.16 -0.62 0.00 0.00 178.44 178.00 3ihp h ILE 421 N -1.10 0.00 0.00 4.05 -0.00 -1.53 -0.57 117.51 118.36 3ihp h ILE 421 Ca -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 64.86 64.72 3ihp h ILE 421 Cb 0.54 0.71 0.00 0.00 -0.00 0.00 0.00 36.82 38.07 3ihp h ILE 421 CO 0.11 0.00 -1.09 0.61 -0.00 0.00 0.00 178.15 177.78 3ihp n GLY 422 N -0.94 -1.10 3.71 0.16 0.00 -1.07 -4.89 105.19 101.07 3ihp n GLY 422 Ca -0.01 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3ihp n GLY 422 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ihp n LYS 423 N -1.76 2.67 0.00 1.61 4.81 -0.22 -2.02 118.16 123.25 3ihp n LYS 423 Ca 0.02 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 3ihp n LYS 423 Cb 0.40 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.66 3ihp n LYS 423 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ihp n GLY 424 N 3.67 2.48 3.70 3.14 0.00 -1.26 -4.98 105.19 111.94 3ihp n GLY 424 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3ihp n GLY 424 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ihp s HIS 425 N -1.76 3.58 -1.10 1.61 5.04 -0.86 -4.92 115.29 116.89 3ihp s HIS 425 Ca 0.00 1.50 0.06 0.00 -1.54 0.00 0.00 55.06 55.08 3ihp s HIS 425 Cb 0.00 -3.03 0.27 0.00 0.04 0.00 0.00 32.58 29.87 3ihp s HIS 425 CO 0.00 -0.04 1.16 -0.35 -2.34 0.00 0.00 174.74 173.17 3ihp n PRO 426 N 4.19 0.02 -0.01 2.88 -0.04 -1.26 -2.31 135.00 138.48 3ihp n PRO 426 Ca 0.04 0.36 -0.02 0.00 -0.04 0.00 0.00 63.50 63.84 3ihp n PRO 426 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 3ihp n PRO 426 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3ihp n GLU 427 N -1.45 0.04 0.00 0.54 4.07 -1.26 -4.71 120.64 117.87 3ihp n GLU 427 Ca 0.02 0.02 0.15 0.00 -0.06 0.00 0.00 57.16 57.28 3ihp n GLU 427 Cb 0.07 -0.56 0.74 0.00 -0.06 0.00 0.00 31.44 31.63 3ihp n GLU 427 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3ihp n PHE 428 N -3.11 0.00 0.15 4.31 3.72 -1.23 -2.82 117.46 118.48 3ihp n PHE 428 Ca -0.03 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 3ihp n PHE 428 Cb 0.49 -0.07 0.06 0.00 -0.94 0.00 0.00 39.48 39.02 3ihp n PHE 428 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ihp h SER 429 N 0.72 0.00 -3.75 4.37 4.64 -1.26 -3.39 113.55 114.87 3ihp h SER 429 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 3ihp h SER 429 Cb 0.24 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.51 3ihp h SER 429 CO 0.00 0.15 0.34 0.42 -0.87 0.00 0.00 176.83 176.87 3ihp s THR 430 N -3.18 1.86 -0.18 2.95 -4.23 -1.13 -5.01 115.64 106.71 3ihp s THR 430 Ca 0.03 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.69 3ihp s THR 430 Cb 0.07 -2.85 0.39 0.00 1.34 0.00 0.00 72.50 71.45 3ihp s THR 430 CO 0.74 0.00 1.26 -0.46 -0.54 0.00 0.00 174.62 175.62 3ihp n ASN 431 N -4.17 2.48 -4.98 3.99 6.94 -1.26 -5.04 115.26 113.22 3ihp n ASN 431 Ca 0.16 -3.38 -0.21 0.00 -0.02 0.00 0.00 54.58 51.14 3ihp n ASN 431 Cb 0.59 -0.50 0.03 0.00 -2.36 0.00 0.00 39.78 37.54 3ihp n ASN 431 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ihp s ARG 432 N -3.01 2.58 0.34 -3.83 1.70 -1.26 -4.40 118.95 111.07 3ihp s ARG 432 Ca 0.37 -0.82 -0.28 0.00 -0.47 0.00 0.00 55.73 54.53 3ihp s ARG 432 Cb 0.33 -2.52 -0.10 0.00 -0.57 0.00 0.00 34.95 32.10 3ihp s ARG 432 CO 0.01 -0.66 1.27 -0.65 -1.08 0.00 0.00 175.30 174.19 3ihp s GLN 433 N -4.72 4.30 0.16 3.89 -0.21 -1.26 -4.90 119.66 116.93 3ihp s GLN 433 Ca 0.57 2.12 0.05 0.00 0.02 0.00 0.00 55.36 58.12 3ihp s GLN 433 Cb -0.10 -3.00 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 3ihp s GLN 433 CO 0.38 -0.20 -0.10 -0.65 -2.12 0.00 0.00 175.29 172.60 3ihp s GLN 434 N -1.87 1.11 0.26 2.91 -1.52 -1.26 -5.07 119.66 114.21 3ihp s GLN 434 Ca 0.50 -1.48 -0.22 0.00 -1.95 0.00 0.00 55.36 52.21 3ihp s GLN 434 Cb -0.38 -0.67 -0.09 0.00 -0.22 0.00 0.00 33.01 31.65 3ihp s GLN 434 CO 0.50 0.07 0.80 0.34 -0.25 0.00 0.00 175.29 176.74 3ihp s ASP 435 N -3.19 7.15 0.15 5.90 2.15 -1.26 -4.79 116.67 122.77 3ihp s ASP 435 Ca 0.18 1.55 -0.08 0.00 0.43 0.00 0.00 52.55 54.63 3ihp s ASP 435 Cb 0.02 -2.47 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 3ihp s ASP 435 CO 0.02 -0.00 1.44 0.00 -0.17 0.00 0.00 175.17 176.45 3ihp h ALA 436 N 3.33 0.54 -0.38 3.66 0.00 -2.00 -2.70 119.26 121.72 3ihp h ALA 436 Ca -0.48 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 53.89 3ihp h ALA 436 Cb 1.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3ihp h ALA 436 CO 0.65 0.69 0.14 0.37 0.00 0.00 0.00 179.25 181.10 3ihp h GLN 437 N 0.58 0.57 0.00 0.00 -0.00 -1.98 -0.20 115.11 114.07 3ihp h GLN 437 Ca 0.01 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.51 3ihp h GLN 437 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.53 3ihp h GLN 437 CO 0.12 0.55 -0.22 1.49 0.00 0.00 0.00 178.83 180.77 3ihp h GLU 438 N 0.46 0.00 0.05 1.69 4.81 -1.97 0.85 114.58 120.48 3ihp h GLU 438 Ca 0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3ihp h GLU 438 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3ihp h GLU 438 CO -0.01 0.22 -0.02 0.35 -0.73 0.00 0.00 179.01 178.82 3ihp h PHE 439 N 0.00 -0.06 -0.77 0.92 3.57 -1.21 -2.37 116.94 117.02 3ihp h PHE 439 Ca -0.00 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.65 3ihp h PHE 439 Cb 0.40 0.02 -0.15 0.00 2.79 0.00 0.00 35.95 39.02 3ihp h PHE 439 CO 0.00 0.58 -0.17 0.35 -2.23 0.00 0.00 178.31 176.84 3ihp h PHE 440 N -0.88 -0.37 -0.15 0.41 3.57 -0.75 0.47 116.94 119.24 3ihp h PHE 440 Ca -0.01 0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 3ihp h PHE 440 Cb 0.66 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3ihp h PHE 440 CO 0.16 -0.32 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.37 3ihp h LEU 441 N 0.01 0.42 0.05 0.59 3.38 -0.88 -0.02 115.31 118.85 3ihp h LEU 441 Ca 0.38 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ihp h LEU 441 Cb 0.59 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ihp h LEU 441 CO -0.78 0.83 -0.03 -0.74 0.09 0.00 0.00 178.44 177.81 3ihp h HIS 442 N 0.31 -0.07 -0.22 1.13 2.76 -0.64 -1.59 115.15 116.83 3ihp h HIS 442 Ca 0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3ihp h HIS 442 Cb 0.95 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 3ihp h HIS 442 CO 0.03 -0.05 0.14 1.25 -1.30 0.00 0.00 177.93 178.00 3ihp h LEU 443 N -0.07 0.26 -0.76 0.26 5.85 -0.78 -1.23 115.31 118.84 3ihp h LEU 443 Ca -0.00 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.80 3ihp h LEU 443 Cb 0.06 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 3ihp h LEU 443 CO 0.00 0.21 0.38 0.40 -0.34 0.00 0.00 178.44 179.09 3ihp h ILE 444 N 0.28 0.81 0.00 4.05 5.03 -0.93 0.11 117.51 126.86 3ihp h ILE 444 Ca 0.08 -0.21 -0.02 0.00 -0.12 0.00 0.00 64.86 64.59 3ihp h ILE 444 Cb -0.00 0.14 -0.00 0.00 -3.03 0.00 0.00 36.82 33.93 3ihp h ILE 444 CO -0.02 0.11 -0.08 0.78 -0.68 0.00 0.00 178.15 178.26 3ihp h ASN 445 N 0.61 0.00 -0.08 1.72 2.35 -0.96 -0.86 115.58 118.37 3ihp h ASN 445 Ca 0.39 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.90 3ihp h ASN 445 Cb 0.45 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.84 3ihp h ASN 445 CO -0.30 0.08 -0.88 -0.03 -1.65 0.00 0.00 177.43 174.65 3ihp h MET 446 N 0.00 0.74 -0.68 0.81 4.05 -0.18 -2.52 114.93 117.16 3ihp h MET 446 Ca -0.00 -0.69 0.03 0.00 -0.28 0.00 0.00 59.70 58.76 3ihp h MET 446 Cb 0.87 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 3ihp h MET 446 CO 0.01 1.28 0.43 0.28 0.23 0.00 0.00 176.91 179.14 3ihp h VAL 447 N 0.44 1.10 -0.92 -5.77 2.07 -0.70 -2.88 116.25 109.60 3ihp h VAL 447 Ca -0.09 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3ihp h VAL 447 Cb 1.53 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3ihp h VAL 447 CO 0.18 0.15 0.61 -0.08 0.02 0.00 0.00 177.57 178.45 3ihp h GLU 448 N 0.84 1.19 -0.36 1.57 4.57 -1.07 -1.92 114.58 119.40 3ihp h GLU 448 Ca 0.27 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 3ihp h GLU 448 Cb 0.00 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 3ihp h GLU 448 CO -0.10 0.79 0.04 0.00 -1.18 0.00 0.00 179.01 178.55 3ihp h ARG 449 N 1.22 0.54 -0.01 1.92 -0.00 -1.27 -3.10 114.38 113.68 3ihp h ARG 449 Ca 0.34 -0.11 0.00 0.00 -0.50 0.00 0.00 59.98 59.72 3ihp h ARG 449 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 29.78 3ihp h ARG 449 CO -0.08 0.54 -0.48 0.09 0.00 0.00 0.00 179.97 180.04 3ihp n ASN 450 N -4.30 1.17 -0.64 7.04 4.13 -0.84 -4.31 115.26 117.50 3ihp n ASN 450 Ca 0.02 -0.93 0.07 0.00 1.68 0.00 0.00 54.58 55.41 3ihp n ASN 450 Cb 0.22 0.38 0.21 0.00 -1.54 0.00 0.00 39.78 39.05 3ihp n ASN 450 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ihp h ARG 452 N 1.02 0.00 0.19 0.00 9.65 -1.75 -3.20 114.38 120.30 3ihp h ARG 452 Ca 0.04 -0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.57 3ihp h ARG 452 Cb 1.30 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.90 3ihp h ARG 452 CO 0.16 0.01 -1.73 0.66 2.80 0.00 0.00 179.97 181.87 3ihp h SER 453 N 0.00 0.64 -3.77 -3.80 4.64 -1.86 -3.49 113.55 105.92 3ihp h SER 453 Ca 0.00 -0.93 -0.15 0.00 -0.47 0.00 0.00 61.79 60.24 3ihp h SER 453 Cb 0.00 -0.21 0.03 0.00 -0.31 0.00 0.00 62.40 61.92 3ihp h SER 453 CO -0.00 1.78 0.05 -1.54 -0.87 0.00 0.00 176.83 176.25 3ihp n SER 454 N -3.60 0.38 -4.61 4.97 3.41 -1.21 -5.02 113.62 107.93 3ihp n SER 454 Ca -0.24 -1.34 -0.48 0.00 -0.26 0.00 0.00 58.87 56.55 3ihp n SER 454 Cb 1.08 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.76 3ihp n SER 454 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3ihp n GLU 455 N -1.65 1.50 -3.87 4.33 2.13 -1.26 -4.91 120.64 116.90 3ihp n GLU 455 Ca 0.05 0.54 -0.30 0.00 0.66 0.00 0.00 57.16 58.11 3ihp n GLU 455 Cb 0.19 -2.13 -0.16 0.00 0.27 0.00 0.00 31.44 29.62 3ihp n GLU 455 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3ihp s ASN 456 N 0.25 3.86 0.36 4.31 3.84 -1.26 -4.84 114.94 121.46 3ihp s ASN 456 Ca 0.74 -1.35 0.27 0.00 0.21 0.00 0.00 52.86 52.74 3ihp s ASN 456 Cb -0.80 -1.07 1.08 0.00 -0.55 0.00 0.00 41.25 39.91 3ihp s ASN 456 CO 0.49 -0.31 1.80 1.55 -2.79 0.00 0.00 177.10 177.85 3ihp h PRO 457 N 7.99 0.00 -0.27 0.43 0.13 -1.94 -2.82 132.00 135.52 3ihp h PRO 457 Ca -0.15 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.06 3ihp h PRO 457 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3ihp h PRO 457 CO 0.43 0.00 0.26 -0.91 -0.23 0.00 0.00 178.00 177.55 3ihp h ASN 458 N 0.00 0.00 0.00 1.44 2.35 -1.95 -0.80 115.58 116.62 3ihp h ASN 458 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ihp h ASN 458 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3ihp h ASN 458 CO 0.00 0.00 0.43 -0.33 -1.65 0.00 0.00 177.43 175.88 3ihp h GLU 459 N 0.00 0.00 -0.04 0.81 5.08 -1.88 0.14 114.58 118.69 3ihp h GLU 459 Ca 0.13 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 3ihp h GLU 459 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3ihp h GLU 459 CO -0.00 0.00 -0.64 -0.24 -1.00 0.00 0.00 179.01 177.13 3ihp h VAL 460 N 0.00 1.42 0.03 3.13 3.04 -1.40 -3.32 116.25 119.15 3ihp h VAL 460 Ca 0.00 -2.11 -0.35 0.00 -1.01 0.00 0.00 66.70 63.23 3ihp h VAL 460 Cb 0.87 2.11 -0.05 0.00 -2.01 0.00 0.00 31.29 32.20 3ihp h VAL 460 CO 0.00 0.62 -2.10 0.49 -1.01 0.00 0.00 177.57 175.56 3ihp n PHE 461 N -3.82 0.61 -1.81 3.17 3.72 0.39 -1.43 117.46 118.29 3ihp n PHE 461 Ca -0.02 0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 3ihp n PHE 461 Cb 0.64 -1.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.06 3ihp n PHE 461 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3ihp s ARG 462 N -2.55 4.16 0.22 -1.08 3.52 -0.61 -4.71 118.95 117.89 3ihp s ARG 462 Ca -0.16 2.51 -0.02 0.00 -0.13 0.00 0.00 55.73 57.93 3ihp s ARG 462 Cb 0.07 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 3ihp s ARG 462 CO 0.77 -0.66 0.20 -0.59 -0.81 0.00 0.00 175.30 174.20 3ihp s PHE 463 N 0.81 1.07 -0.21 5.12 -0.12 -0.59 -4.49 117.98 119.56 3ihp s PHE 463 Ca 0.70 -1.30 -0.04 0.00 -0.05 0.00 0.00 56.93 56.24 3ihp s PHE 463 Cb -0.47 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.45 3ihp s PHE 463 CO 0.36 -0.71 -0.02 -0.51 -0.05 0.00 0.00 175.22 174.29 3ihp s LEU 464 N -3.15 3.03 -0.06 -1.99 1.02 -1.26 -0.36 118.68 115.91 3ihp s LEU 464 Ca 0.37 -0.32 -0.20 0.00 0.02 0.00 0.00 54.13 53.99 3ihp s LEU 464 Cb 0.05 -1.77 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 3ihp s LEU 464 CO 0.13 0.01 0.56 -0.69 0.02 0.00 0.00 176.35 176.37 3ihp s VAL 465 N 1.32 5.04 -0.26 -1.59 1.01 0.90 0.78 120.40 127.60 3ihp s VAL 465 Ca 0.04 1.15 -0.16 0.00 0.00 0.00 0.00 61.98 63.02 3ihp s VAL 465 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3ihp s VAL 465 CO -0.01 0.36 0.41 -0.70 0.00 0.00 0.00 175.10 175.17 3ihp s GLU 466 N 0.23 4.05 -0.30 2.72 2.12 0.12 -1.63 118.70 126.01 3ihp s GLU 466 Ca 0.30 0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.71 3ihp s GLU 466 Cb -0.17 -3.64 0.03 0.00 0.26 0.00 0.00 34.13 30.61 3ihp s GLU 466 CO 0.15 -0.27 0.03 -2.00 -0.54 0.00 0.00 175.26 172.63 3ihp s GLU 467 N 2.04 2.71 -0.21 4.30 2.56 0.72 -0.54 118.70 130.28 3ihp s GLU 467 Ca 0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 54.97 54.00 3ihp s GLU 467 Cb -0.16 -3.26 -0.01 0.00 2.00 0.00 0.00 34.13 32.70 3ihp s GLU 467 CO 0.09 -0.55 -0.04 0.21 -0.56 0.00 0.00 175.26 174.42 3ihp s LYS 468 N 1.36 3.44 0.01 4.30 2.20 -0.07 -0.94 119.74 130.05 3ihp s LYS 468 Ca -0.01 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 54.99 3ihp s LYS 468 Cb -0.18 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3ihp s LYS 468 CO 0.00 -0.13 0.13 0.96 -0.36 0.00 0.00 175.35 175.96 3ihp s ILE 469 N 1.31 5.02 -0.07 5.43 -4.36 -0.80 -0.66 121.20 127.07 3ihp s ILE 469 Ca 0.04 -0.37 0.01 0.00 -0.26 0.00 0.00 60.65 60.06 3ihp s ILE 469 Cb -0.14 -3.35 0.02 0.00 1.25 0.00 0.00 42.46 40.24 3ihp s ILE 469 CO -0.01 0.28 -0.07 -0.75 0.24 0.00 0.00 174.94 174.63 3ihp s LYS 470 N -1.99 1.23 -0.28 0.37 2.20 0.43 -1.51 119.74 120.18 3ihp s LYS 470 Ca 0.27 -0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 3ihp s LYS 470 Cb -0.12 -1.21 -0.01 0.00 -1.51 0.00 0.00 37.83 34.97 3ihp s LYS 470 CO 0.18 -0.12 1.57 0.00 -0.36 0.00 0.00 175.35 176.62 3ihp h LEU 472 N 12.00 0.08 -0.11 0.00 5.85 -1.82 0.27 115.31 131.57 3ihp h LEU 472 Ca -0.32 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 3ihp h LEU 472 Cb 1.14 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3ihp h LEU 472 CO 1.02 0.33 -0.35 0.00 -0.34 0.00 0.00 178.44 179.11 3ihp h ALA 473 N 1.67 0.20 -0.01 1.25 0.00 -1.90 -3.34 119.26 117.14 3ihp h ALA 473 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ihp h ALA 473 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ihp h ALA 473 CO 0.03 0.26 -0.54 0.25 0.00 0.00 0.00 179.25 179.26 3ihp n THR 474 N -4.36 0.00 -1.00 0.00 -2.24 -1.13 -4.97 114.28 100.58 3ihp n THR 474 Ca -0.07 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3ihp n THR 474 Cb 0.51 1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3ihp n THR 474 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ihp n GLU 475 N -0.49 -1.02 -3.37 -0.78 -0.58 0.94 -4.99 120.64 110.35 3ihp n GLU 475 Ca 0.06 0.26 -0.33 0.00 -0.42 0.00 0.00 57.16 56.74 3ihp n GLU 475 Cb 0.36 -4.04 -0.06 0.00 -0.57 0.00 0.00 31.44 27.14 3ihp n GLU 475 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ihp s LYS 476 N -1.05 3.88 0.20 3.49 1.02 -1.17 -4.74 119.74 121.37 3ihp s LYS 476 Ca 0.00 0.38 0.09 0.00 0.02 0.00 0.00 55.97 56.46 3ihp s LYS 476 Cb 0.00 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 3ihp s LYS 476 CO 0.00 0.34 -0.17 0.14 -0.92 0.00 0.00 175.35 174.75 3ihp s VAL 477 N -1.74 1.88 -0.10 3.17 -7.23 -0.23 -0.07 120.40 116.08 3ihp s VAL 477 Ca 0.45 -2.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.44 3ihp s VAL 477 Cb -0.12 -2.01 0.04 0.00 0.56 0.00 0.00 36.38 34.85 3ihp s VAL 477 CO 0.20 -0.47 0.22 -0.75 -0.31 0.00 0.00 175.10 174.00 3ihp s LYS 478 N -3.32 0.18 -0.13 4.82 2.20 -0.57 -1.24 119.74 121.67 3ihp s LYS 478 Ca 0.21 0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 56.27 3ihp s LYS 478 Cb -0.03 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 3ihp s LYS 478 CO 0.08 -0.16 -0.00 0.71 -0.36 0.00 0.00 175.35 175.62 3ihp s TYR 479 N 1.20 3.12 0.14 4.03 2.02 -1.26 -1.90 117.35 124.70 3ihp s TYR 479 Ca -0.09 -0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.65 3ihp s TYR 479 Cb -0.10 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 3ihp s TYR 479 CO -0.08 0.20 -0.16 0.95 -1.57 0.00 0.00 175.55 174.89 3ihp s THR 480 N -0.11 1.54 0.13 -0.71 -4.23 -0.11 -4.99 115.64 107.16 3ihp s THR 480 Ca 0.04 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3ihp s THR 480 Cb -0.13 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 3ihp s THR 480 CO 0.02 -0.36 0.04 -1.10 -0.54 0.00 0.00 174.62 172.68 3ihp s GLN 481 N -2.68 2.63 0.02 3.99 -0.21 -1.26 -0.20 119.66 121.95 3ihp s GLN 481 Ca 0.11 -0.91 -0.02 0.00 0.02 0.00 0.00 55.36 54.57 3ihp s GLN 481 Cb -0.05 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 3ihp s GLN 481 CO 0.04 0.50 0.01 -0.98 -2.12 0.00 0.00 175.29 172.75 3ihp s ARG 482 N -2.70 0.40 0.40 2.91 1.70 -0.64 -4.97 118.95 116.04 3ihp s ARG 482 Ca 0.28 -0.66 -0.23 0.00 -0.47 0.00 0.00 55.73 54.65 3ihp s ARG 482 Cb -0.11 0.15 -0.10 0.00 -0.57 0.00 0.00 34.95 34.32 3ihp s ARG 482 CO 0.20 -0.08 0.98 0.08 -1.08 0.00 0.00 175.30 175.40 3ihp s VAL 483 N -1.82 4.12 0.27 4.99 1.01 -1.26 -0.07 120.40 127.64 3ihp s VAL 483 Ca -0.12 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.25 3ihp s VAL 483 Cb -0.07 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3ihp s VAL 483 CO -0.02 -0.11 0.51 -0.62 0.00 0.00 0.00 175.10 174.87 3ihp s ASP 484 N -1.86 0.06 0.00 3.32 -1.08 0.51 -4.85 116.67 112.77 3ihp s ASP 484 Ca 0.58 -1.01 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 3ihp s ASP 484 Cb -0.15 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 3ihp s ASP 484 CO 0.20 -1.22 0.00 -1.22 0.52 0.00 0.00 175.17 173.45 3ihp n TYR 485 N -0.42 0.00 -3.83 -5.34 4.01 -1.26 -1.54 117.16 108.78 3ihp n TYR 485 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 3ihp n TYR 485 Cb 0.62 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.49 3ihp n TYR 485 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3ihp s ILE 486 N -1.38 0.01 -0.06 -0.72 1.01 -1.26 -4.28 121.20 114.52 3ihp s ILE 486 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.56 3ihp s ILE 486 Cb 0.00 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 3ihp s ILE 486 CO 0.00 0.09 0.69 0.00 0.00 0.00 0.00 174.94 175.71 3ihp s MET 487 N 0.85 4.43 -0.43 2.79 0.23 0.56 -4.94 119.30 122.80 3ihp s MET 487 Ca -0.07 0.86 -0.17 0.00 -1.03 0.00 0.00 55.69 55.28 3ihp s MET 487 Cb -0.11 -3.43 0.03 0.00 -1.53 0.00 0.00 34.83 29.78 3ihp s MET 487 CO -0.02 0.10 0.41 -0.65 -2.03 0.00 0.00 175.02 172.84 3ihp s GLN 488 N 0.67 3.06 -0.24 3.16 -0.21 -1.26 -0.72 119.66 124.13 3ihp s GLN 488 Ca 0.37 -0.85 -0.19 0.00 0.02 0.00 0.00 55.36 54.70 3ihp s GLN 488 Cb -0.18 -3.99 -0.02 0.00 1.00 0.00 0.00 33.01 29.82 3ihp s GLN 488 CO 0.18 -0.86 0.58 -1.17 -2.12 0.00 0.00 175.29 171.90 3ihp s LEU 489 N 2.04 4.09 0.62 2.90 2.96 0.83 -4.93 118.68 127.18 3ihp s LEU 489 Ca 0.10 0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 54.52 3ihp s LEU 489 Cb -0.18 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 3ihp s LEU 489 CO 0.12 -0.30 1.09 -2.16 -1.32 0.00 0.00 176.35 173.79 3ihp s PRO 490 N 2.21 3.09 -0.38 0.98 0.04 -1.26 -0.80 135.00 138.87 3ihp s PRO 490 Ca 0.25 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.66 3ihp s PRO 490 Cb -0.16 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.50 3ihp s PRO 490 CO 0.09 -1.02 0.13 0.54 0.04 0.00 0.00 177.00 176.78 3ihp s VAL 491 N -2.30 1.88 -0.84 -0.36 0.11 -1.26 -4.57 120.40 113.06 3ihp s VAL 491 Ca 0.66 -2.34 -0.25 0.00 -2.93 0.00 0.00 61.98 57.13 3ihp s VAL 491 Cb -0.19 -2.37 0.02 0.00 -1.53 0.00 0.00 36.38 32.31 3ihp s VAL 491 CO 0.37 -0.70 1.48 -2.16 -3.33 0.00 0.00 175.10 170.77 3ihp s PRO 492 N 0.77 3.19 0.45 1.54 0.04 -1.26 -4.90 135.00 134.83 3ihp s PRO 492 Ca 0.13 -0.44 0.14 0.00 0.04 0.00 0.00 61.00 60.87 3ihp s PRO 492 Cb -0.21 -4.70 1.07 0.00 0.04 0.00 0.00 34.50 30.70 3ihp s PRO 492 CO -0.09 -2.37 2.02 0.52 0.04 0.00 0.00 177.00 177.11 3ihp h MET 493 N 10.72 0.33 -0.86 4.56 2.86 -2.01 -2.23 114.93 128.30 3ihp h MET 493 Ca -0.07 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3ihp h MET 493 Cb 1.05 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3ihp h MET 493 CO 1.32 0.22 0.00 -0.40 1.06 0.00 0.00 176.91 179.10 3ihp n ASP 494 N -4.47 1.09 -0.09 1.22 3.85 -1.26 -2.11 116.55 114.77 3ihp n ASP 494 Ca 0.07 -1.54 0.01 0.00 -0.71 0.00 0.00 54.79 52.63 3ihp n ASP 494 Cb 0.30 -0.38 0.01 0.00 -1.35 0.00 0.00 41.12 39.70 3ihp n ASP 494 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ihp n ALA 495 N 0.22 2.47 -1.61 2.12 0.00 -0.84 -5.06 120.51 117.81 3ihp n ALA 495 Ca 0.00 -0.47 -0.45 0.00 0.00 0.00 0.00 53.44 52.52 3ihp n ALA 495 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 3ihp n ALA 495 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ihp n ALA 496 N 0.01 0.07 0.13 0.00 0.00 -0.90 -4.58 120.51 115.23 3ihp n ALA 496 Ca 0.01 0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.91 3ihp n ALA 496 Cb 0.06 -2.10 0.03 0.00 0.00 0.00 0.00 19.45 17.45 3ihp n ALA 496 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ihp h LEU 497 N 2.86 0.00 -4.46 0.00 3.38 -1.24 -3.37 115.31 112.47 3ihp h LEU 497 Ca -0.42 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.94 3ihp h LEU 497 Cb 1.32 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.67 3ihp h LEU 497 CO 0.66 0.36 -0.51 -0.46 0.09 0.00 0.00 178.44 178.58 3ihp n ASN 498 N -3.08 5.11 -0.22 -0.43 2.04 -1.26 -4.89 115.26 112.53 3ihp n ASN 498 Ca 0.00 -3.74 0.01 0.00 -0.44 0.00 0.00 54.58 50.42 3ihp n ASN 498 Cb 0.69 -0.52 0.13 0.00 -2.53 0.00 0.00 39.78 37.55 3ihp n ASN 498 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 3ihp h LYS 499 N 2.56 0.43 -0.17 -3.83 1.57 -1.96 -2.54 116.57 112.63 3ihp h LYS 499 Ca 0.34 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3ihp h LYS 499 Cb 0.90 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3ihp h LYS 499 CO 0.92 0.28 -0.12 0.93 -0.57 0.00 0.00 179.45 180.89 3ihp h GLU 500 N 0.44 0.38 -0.12 3.15 5.08 -1.96 -2.88 114.58 118.67 3ihp h GLU 500 Ca 0.34 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3ihp h GLU 500 Cb 0.44 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ihp h GLU 500 CO -0.33 0.72 0.11 0.93 -1.00 0.00 0.00 179.01 179.44 3ihp h GLU 501 N 0.05 0.00 0.01 2.33 3.07 -1.91 -1.81 114.58 116.31 3ihp h GLU 501 Ca 0.03 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.74 3ihp h GLU 501 Cb 0.63 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3ihp h GLU 501 CO 0.03 0.00 -0.61 1.25 -1.40 0.00 0.00 179.01 178.29 3ihp h LEU 502 N 0.00 0.52 -1.09 1.33 6.46 -1.37 -2.80 115.31 118.37 3ihp h LEU 502 Ca 0.06 -0.77 -0.06 0.00 -0.12 0.00 0.00 57.88 56.99 3ihp h LEU 502 Cb 0.27 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3ihp h LEU 502 CO -0.00 1.23 0.03 -0.07 -0.62 0.00 0.00 178.44 179.01 3ihp h LEU 503 N -0.13 0.64 -0.71 2.25 3.38 -1.17 0.24 115.31 119.82 3ihp h LEU 503 Ca -0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ihp h LEU 503 Cb 1.33 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3ihp h LEU 503 CO 0.12 0.69 0.38 -0.08 0.09 0.00 0.00 178.44 179.64 3ihp h GLU 504 N 0.65 0.99 0.26 1.13 4.57 -1.42 -2.43 114.58 118.32 3ihp h GLU 504 Ca 0.14 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3ihp h GLU 504 Cb 0.36 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3ihp h GLU 504 CO 0.01 0.74 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.54 3ihp h TYR 505 N 0.97 -0.32 -0.48 0.92 3.20 -1.05 -1.70 116.97 118.50 3ihp h TYR 505 Ca 0.25 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.19 3ihp h TYR 505 Cb 0.05 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3ihp h TYR 505 CO -0.00 0.03 0.33 0.93 -1.64 0.00 0.00 178.16 177.81 3ihp h GLU 506 N -0.74 0.31 0.03 1.82 5.08 -0.59 0.19 114.58 120.68 3ihp h GLU 506 Ca -0.04 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 3ihp h GLU 506 Cb 0.50 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.69 3ihp h GLU 506 CO 0.06 0.20 -0.77 1.49 -1.00 0.00 0.00 179.01 178.99 3ihp h GLU 507 N 0.32 0.46 -0.79 2.33 4.81 -1.47 -1.47 114.58 118.77 3ihp h GLU 507 Ca 0.22 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3ihp h GLU 507 Cb 0.46 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 3ihp h GLU 507 CO -0.05 1.19 0.47 0.87 -0.73 0.00 0.00 179.01 180.76 3ihp h LYS 508 N -0.03 1.08 -0.26 1.92 1.57 -0.24 -2.07 116.57 118.54 3ihp h LYS 508 Ca -0.11 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3ihp h LYS 508 Cb 1.49 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3ihp h LYS 508 CO 0.15 0.77 -0.23 0.87 -0.57 0.00 0.00 179.45 180.44 3ihp h LYS 509 N 1.08 0.48 -0.47 3.15 1.79 -0.73 -1.75 116.57 120.12 3ihp h LYS 509 Ca 0.28 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3ihp h LYS 509 Cb -0.03 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 3ihp h LYS 509 CO -0.05 0.68 0.29 -0.09 -1.08 0.00 0.00 179.45 179.20 3ihp h ARG 510 N 0.43 0.62 -0.22 3.15 2.43 -0.82 -1.74 114.38 118.23 3ihp h ARG 510 Ca 0.07 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 3ihp h ARG 510 Cb 0.63 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3ihp h ARG 510 CO 0.05 0.44 -0.60 1.96 -1.51 0.00 0.00 179.97 180.31 3ihp h GLN 511 N 0.62 0.73 -0.70 0.20 4.20 -1.27 -2.56 115.11 116.34 3ihp h GLN 511 Ca 0.17 -0.49 0.02 0.00 0.06 0.00 0.00 58.65 58.41 3ihp h GLN 511 Cb -0.03 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 3ihp h GLN 511 CO -0.03 1.11 0.45 0.00 -0.67 0.00 0.00 178.83 179.69 3ihp h ALA 512 N 0.78 0.90 -0.50 3.87 0.00 -1.25 -1.78 119.26 121.28 3ihp h ALA 512 Ca -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3ihp h ALA 512 Cb 1.18 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3ihp h ALA 512 CO 0.12 0.27 0.21 1.05 0.00 0.00 0.00 179.25 180.91 3ihp h GLU 513 N 0.91 0.41 -0.32 0.00 9.09 -1.12 -0.08 114.58 123.46 3ihp h GLU 513 Ca 0.27 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.60 3ihp h GLU 513 Cb -0.06 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 26.93 3ihp h GLU 513 CO -0.08 0.27 -0.02 0.93 0.05 0.00 0.00 179.01 180.16 3ihp h GLU 514 N 0.42 0.50 -0.01 1.06 4.39 -1.05 -2.85 114.58 117.04 3ihp h GLU 514 Ca 0.23 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3ihp h GLU 514 Cb 0.20 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3ihp h GLU 514 CO -0.21 0.54 -0.29 -1.91 -1.16 0.00 0.00 179.01 175.99 3ihp n GLU 515 N -4.27 0.89 -3.55 2.33 4.07 -0.71 -4.96 120.64 114.45 3ihp n GLU 515 Ca 0.01 -0.56 -0.20 0.00 -0.06 0.00 0.00 57.16 56.34 3ihp n GLU 515 Cb 0.25 -1.49 0.05 0.00 -0.06 0.00 0.00 31.44 30.20 3ihp n GLU 515 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3ihp n LYS 516 N -0.56 -4.37 -4.59 5.31 0.00 -0.14 -5.01 118.16 108.80 3ihp n LYS 516 Ca 0.12 0.70 -0.27 0.00 -0.00 0.00 0.00 58.31 58.86 3ihp n LYS 516 Cb 0.36 -5.33 -0.11 0.00 -0.00 0.00 0.00 35.03 29.95 3ihp n LYS 516 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3ihp s MET 517 N -5.54 1.90 0.21 -1.58 -1.94 -0.62 -5.05 119.30 106.69 3ihp s MET 517 Ca 0.14 -2.04 -0.32 0.00 -1.71 0.00 0.00 55.69 51.76 3ihp s MET 517 Cb -0.03 -1.65 -0.12 0.00 2.01 0.00 0.00 34.83 35.04 3ihp s MET 517 CO 0.79 0.02 1.66 0.00 -0.01 0.00 0.00 175.02 177.47 3ihp n ALA 518 N -0.90 2.37 -1.55 3.03 0.00 -1.26 -4.68 120.51 117.51 3ihp n ALA 518 Ca -0.05 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 3ihp n ALA 518 Cb 0.66 -2.46 0.05 0.00 0.00 0.00 0.00 19.45 17.70 3ihp n ALA 518 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ihp s LEU 519 N 0.83 3.10 0.64 0.00 1.43 -1.26 -4.91 118.68 118.50 3ihp s LEU 519 Ca 0.74 1.61 -0.10 0.00 -1.03 0.00 0.00 54.13 55.35 3ihp s LEU 519 Cb -0.55 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.19 3ihp s LEU 519 CO 0.37 -1.50 1.02 -2.16 0.23 0.00 0.00 176.35 174.30 3ihp s PRO 520 N -5.04 3.23 -0.22 1.29 0.04 -1.26 -4.96 135.00 128.08 3ihp s PRO 520 Ca 0.58 0.51 -0.38 0.00 0.04 0.00 0.00 61.00 61.75 3ihp s PRO 520 Cb -0.14 -2.10 -0.18 0.00 0.04 0.00 0.00 34.50 32.12 3ihp s PRO 520 CO 0.55 -0.74 1.17 0.39 0.04 0.00 0.00 177.00 178.41 3ihp n GLU 521 N -2.79 0.00 -1.80 4.56 -0.58 -1.26 -4.85 120.64 113.92 3ihp n GLU 521 Ca 0.06 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 3ihp n GLU 521 Cb 0.56 -1.31 -0.02 0.00 -0.57 0.00 0.00 31.44 30.09 3ihp n GLU 521 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3ihp s LEU 522 N 1.31 4.36 -0.10 -4.62 2.96 -1.26 -5.02 118.68 116.30 3ihp s LEU 522 Ca 0.86 2.87 0.02 0.00 -0.22 0.00 0.00 54.13 57.66 3ihp s LEU 522 Cb -1.21 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 41.87 3ihp s LEU 522 CO 0.61 -0.90 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.90 3ihp s VAL 523 N 0.39 1.47 0.12 1.68 1.01 -1.26 -5.15 120.40 118.67 3ihp s VAL 523 Ca 0.66 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3ihp s VAL 523 Cb -0.47 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3ihp s VAL 523 CO 0.42 0.43 0.12 -0.13 0.00 0.00 0.00 175.10 175.95 3ihp s ARG 524 N 0.92 2.94 0.32 2.72 0.52 -1.26 -5.00 118.95 120.10 3ihp s ARG 524 Ca -0.08 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 3ihp s ARG 524 Cb -0.15 -2.71 -0.10 0.00 0.52 0.00 0.00 34.95 32.51 3ihp s ARG 524 CO -0.00 0.52 1.32 0.00 0.02 0.00 0.00 175.30 177.16 3ihp s ALA 525 N -1.59 3.51 -0.33 2.13 0.00 -1.22 -4.77 121.76 119.49 3ihp s ALA 525 Ca 0.31 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 3ihp s ALA 525 Cb -0.11 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.59 3ihp s ALA 525 CO 0.23 -0.64 0.05 -1.14 0.00 0.00 0.00 175.76 174.26 3ihp s GLN 526 N -1.58 2.29 -0.16 0.00 0.74 -1.26 0.15 119.66 119.83 3ihp s GLN 526 Ca 0.50 -1.42 -0.00 0.00 0.05 0.00 0.00 55.36 54.49 3ihp s GLN 526 Cb -0.40 -3.28 -0.00 0.00 1.10 0.00 0.00 33.01 30.43 3ihp s GLN 526 CO 0.51 -0.74 -0.13 0.08 -0.55 0.00 0.00 175.29 174.46 3ihp s VAL 527 N 1.21 2.79 0.28 1.34 1.01 0.16 -0.63 120.40 126.56 3ihp s VAL 527 Ca -0.01 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 3ihp s VAL 527 Cb -0.20 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 3ihp s VAL 527 CO -0.02 0.50 1.32 -2.84 0.00 0.00 0.00 175.10 174.06 3ihp s PRO 528 N 0.89 4.36 0.22 2.72 0.02 -1.26 -4.28 135.00 137.68 3ihp s PRO 528 Ca -0.03 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.07 3ihp s PRO 528 Cb -0.15 -3.11 0.19 0.00 0.02 0.00 0.00 34.50 31.45 3ihp s PRO 528 CO -0.01 -0.22 1.88 0.35 -0.33 0.00 0.00 177.00 178.67 3ihp h PHE 529 N 4.17 1.09 -0.42 6.54 3.57 -1.93 -1.64 116.94 128.32 3ihp h PHE 529 Ca -0.47 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.16 3ihp h PHE 529 Cb 1.22 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3ihp h PHE 529 CO 0.58 0.70 0.37 0.66 -2.23 0.00 0.00 178.31 178.40 3ihp h SER 530 N 1.15 0.00 0.34 0.41 4.64 -1.92 0.24 113.55 118.42 3ihp h SER 530 Ca 0.31 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.39 3ihp h SER 530 Cb -0.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3ihp h SER 530 CO -0.06 0.00 -1.01 0.28 -0.87 0.00 0.00 176.83 175.16 3ihp h SER 531 N 0.00 0.56 -0.24 4.97 0.02 -1.68 -2.06 113.55 115.12 3ihp h SER 531 Ca 0.20 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3ihp h SER 531 Cb 0.94 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3ihp h SER 531 CO -0.00 1.29 0.05 0.00 -1.14 0.00 0.00 176.83 177.02 3ihp h LEU 533 N 0.21 0.05 -1.16 0.00 3.38 -0.74 -1.43 115.31 115.62 3ihp h LEU 533 Ca 0.07 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3ihp h LEU 533 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3ihp h LEU 533 CO 0.00 0.12 -0.20 -0.08 0.09 0.00 0.00 178.44 178.37 3ihp h GLU 534 N -0.03 0.34 -0.40 1.13 4.81 -1.41 -1.33 114.58 117.69 3ihp h GLU 534 Ca 0.01 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3ihp h GLU 534 Cb 0.08 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3ihp h GLU 534 CO -0.00 0.53 0.10 0.00 -0.73 0.00 0.00 179.01 178.91 3ihp h ALA 535 N 1.49 0.52 -0.74 2.92 0.00 -1.25 0.36 119.26 122.56 3ihp h ALA 535 Ca 0.05 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.92 3ihp h ALA 535 Cb 0.53 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 3ihp h ALA 535 CO 0.04 0.19 0.27 -0.92 0.00 0.00 0.00 179.25 178.83 3ihp h TYR 536 N 0.50 0.45 -0.01 0.00 3.20 -0.16 -2.07 116.97 118.87 3ihp h TYR 536 Ca 0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ihp h TYR 536 Cb 0.30 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3ihp h TYR 536 CO 0.02 0.03 -0.39 0.41 -1.64 0.00 0.00 178.16 176.59 3ihp n GLY 537 N -1.33 -0.29 3.75 1.82 0.00 -0.78 -4.68 105.19 103.68 3ihp n GLY 537 Ca 0.14 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3ihp n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihp s ALA 538 N -2.51 3.68 0.39 4.61 0.00 0.13 -4.81 121.76 123.24 3ihp s ALA 538 Ca 0.21 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.37 3ihp s ALA 538 Cb 0.19 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 3ihp s ALA 538 CO 0.56 -0.88 1.32 -0.35 0.00 0.00 0.00 175.76 176.40 3ihp n PRO 539 N 2.04 2.11 -4.73 0.00 -0.04 -1.26 -4.81 135.00 128.32 3ihp n PRO 539 Ca 0.07 0.75 -0.24 0.00 -0.04 0.00 0.00 63.50 64.03 3ihp n PRO 539 Cb 0.39 -2.42 -0.15 0.00 -0.04 0.00 0.00 33.50 31.28 3ihp n PRO 539 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3ihp s GLU 540 N -2.12 1.33 0.12 0.54 -1.05 -0.58 -4.97 118.70 111.97 3ihp s GLU 540 Ca 0.58 -0.70 -0.27 0.00 -0.15 0.00 0.00 54.97 54.44 3ihp s GLU 540 Cb -0.52 -1.33 -0.07 0.00 -0.44 0.00 0.00 34.13 31.78 3ihp s GLU 540 CO 0.60 0.36 0.83 -1.14 0.95 0.00 0.00 175.26 176.86 3ihp s GLN 541 N -0.65 4.60 -0.20 -4.83 0.74 -1.26 -0.99 119.66 117.07 3ihp s GLN 541 Ca 0.06 1.23 0.00 0.00 0.05 0.00 0.00 55.36 56.70 3ihp s GLN 541 Cb -0.07 -3.33 0.05 0.00 1.10 0.00 0.00 33.01 30.76 3ihp s GLN 541 CO 0.00 0.38 -0.07 0.08 -0.55 0.00 0.00 175.29 175.13 3ihp s VAL 542 N -0.50 1.43 0.60 1.34 1.01 0.15 -4.95 120.40 119.47 3ihp s VAL 542 Ca 0.40 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3ihp s VAL 542 Cb -0.23 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3ihp s VAL 542 CO 0.26 0.06 0.94 -1.81 0.00 0.00 0.00 175.10 174.56 3ihp s ASP 543 N 1.48 5.85 -1.23 3.32 -0.00 -1.26 -0.45 116.67 124.38 3ihp s ASP 543 Ca -0.02 1.00 -0.06 0.00 -0.00 0.00 0.00 52.55 53.47 3ihp s ASP 543 Cb -0.17 -2.04 0.01 0.00 -0.00 0.00 0.00 42.92 40.72 3ihp s ASP 543 CO -0.07 -0.97 1.06 -0.67 -0.00 0.00 0.00 175.17 174.52 3ihp n ASP 544 N -2.64 -5.02 -4.72 0.27 2.03 -1.08 -4.89 116.55 100.50 3ihp n ASP 544 Ca 0.04 -0.52 -0.36 0.00 0.52 0.00 0.00 54.79 54.47 3ihp n ASP 544 Cb 0.56 -4.77 -0.08 0.00 -0.72 0.00 0.00 41.12 36.11 3ihp n ASP 544 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3ihp s PHE 545 N -3.31 3.41 -0.21 -0.67 5.36 -0.69 -4.89 117.98 116.97 3ihp s PHE 545 Ca 0.40 0.40 -0.29 0.00 -0.96 0.00 0.00 56.93 56.48 3ihp s PHE 545 Cb -0.18 -2.24 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3ihp s PHE 545 CO 0.68 0.23 1.02 -0.46 -1.46 0.00 0.00 175.22 175.23 3ihp s TRP 546 N 0.55 3.36 -0.30 10.12 -0.11 -1.26 -0.03 118.94 131.27 3ihp s TRP 546 Ca 0.11 1.47 -0.11 0.00 1.22 0.00 0.00 56.10 58.79 3ihp s TRP 546 Cb -0.12 -3.24 -0.03 0.00 -1.50 0.00 0.00 33.47 28.57 3ihp s TRP 546 CO 0.01 -0.44 0.18 0.45 -4.62 0.00 0.00 176.95 172.54 3ihp s SER 547 N 1.19 5.86 0.20 5.86 0.15 -0.89 -4.96 113.70 121.10 3ihp s SER 547 Ca 0.44 -0.22 0.24 0.00 0.70 0.00 0.00 55.95 57.11 3ihp s SER 547 Cb -0.15 -2.08 0.91 0.00 -1.71 0.00 0.00 66.02 62.98 3ihp s SER 547 CO 0.08 -0.12 1.72 0.35 1.20 0.00 0.00 173.24 176.47 3ihp n THR 548 N 5.05 0.72 0.01 6.45 -2.24 -1.26 0.42 114.28 123.42 3ihp n THR 548 Ca -0.14 0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 3ihp n THR 548 Cb 0.51 -0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 67.68 3ihp n THR 548 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ihp h ALA 549 N 2.42 -0.02 0.00 6.98 0.00 -1.93 -3.35 119.26 123.36 3ihp h ALA 549 Ca 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 3ihp h ALA 549 Cb 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ihp h ALA 549 CO 0.00 0.26 -0.80 -0.07 0.00 0.00 0.00 179.25 178.63 3ihp h LEU 550 N -0.45 0.00 -0.64 0.00 4.07 -1.96 -3.48 115.31 112.85 3ihp h LEU 550 Ca -0.09 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.44 3ihp h LEU 550 Cb 1.36 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.13 3ihp h LEU 550 CO 0.10 0.79 -0.70 0.00 -1.08 0.00 0.00 178.44 177.55 3ihp n GLN 551 N -3.29 -6.15 -3.88 1.13 6.02 0.17 -5.00 117.38 106.37 3ihp n GLN 551 Ca 0.01 0.70 -0.09 0.00 -0.01 0.00 0.00 57.00 57.60 3ihp n GLN 551 Cb 0.86 -5.63 -0.04 0.00 1.02 0.00 0.00 30.24 26.44 3ihp n GLN 551 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ihp s ALA 552 N -3.27 -0.62 0.21 -1.58 0.00 -1.18 -5.00 121.76 110.32 3ihp s ALA 552 Ca 0.59 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 3ihp s ALA 552 Cb -0.28 0.94 -0.09 0.00 0.00 0.00 0.00 23.12 23.69 3ihp s ALA 552 CO 0.73 -0.85 1.25 0.15 0.00 0.00 0.00 175.76 177.05 3ihp s LYS 553 N -3.95 4.44 0.00 0.00 -0.14 -1.26 -2.10 119.74 116.74 3ihp s LYS 553 Ca 0.15 1.98 0.00 0.00 -1.36 0.00 0.00 55.97 56.74 3ihp s LYS 553 Cb -0.01 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.93 3ihp s LYS 553 CO 0.04 -0.16 0.00 0.45 -0.76 0.00 0.00 175.35 174.92 3ihp n SER 554 N 2.36 0.00 -4.16 2.83 2.88 0.95 -4.93 113.62 113.56 3ihp n SER 554 Ca 0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.29 3ihp n SER 554 Cb 0.44 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.73 3ihp n SER 554 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3ihp s VAL 555 N -1.13 1.75 0.08 2.46 1.01 -1.26 -1.70 120.40 121.61 3ihp s VAL 555 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3ihp s VAL 555 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3ihp s VAL 555 CO 0.00 0.49 0.11 0.00 0.00 0.00 0.00 175.10 175.71 3ihp s ALA 556 N 0.39 3.66 -0.25 5.51 0.00 0.41 -2.72 121.76 128.76 3ihp s ALA 556 Ca -0.16 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 3ihp s ALA 556 Cb -0.17 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3ihp s ALA 556 CO 0.07 0.74 -0.05 0.08 0.00 0.00 0.00 175.76 176.60 3ihp s VAL 557 N -1.45 3.04 -0.17 0.00 1.01 -0.22 0.31 120.40 122.92 3ihp s VAL 557 Ca 0.31 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 3ihp s VAL 557 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3ihp s VAL 557 CO 0.23 0.22 0.03 -0.75 0.00 0.00 0.00 175.10 174.84 3ihp s LYS 558 N 1.36 3.86 -0.01 2.72 2.20 -0.16 -0.43 119.74 129.28 3ihp s LYS 558 Ca 0.01 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3ihp s LYS 558 Cb -0.16 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 3ihp s LYS 558 CO -0.04 0.28 -0.16 0.99 -0.36 0.00 0.00 175.35 176.06 3ihp s THR 559 N 0.32 1.25 0.09 3.43 2.01 0.17 -1.53 115.64 121.38 3ihp s THR 559 Ca 0.01 -0.68 0.09 0.00 0.31 0.00 0.00 61.69 61.42 3ihp s THR 559 Cb -0.13 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3ihp s THR 559 CO 0.01 0.35 -0.23 0.28 -0.69 0.00 0.00 174.62 174.34 3ihp s THR 560 N -0.38 2.47 0.31 -0.82 -1.32 -1.26 -0.89 115.64 113.75 3ihp s THR 560 Ca 0.06 -1.50 -0.05 0.00 -1.21 0.00 0.00 61.69 59.00 3ihp s THR 560 Cb -0.06 -2.06 -0.00 0.00 -1.51 0.00 0.00 72.50 68.86 3ihp s THR 560 CO -0.01 0.21 0.44 -0.13 -2.21 0.00 0.00 174.62 172.93 3ihp s ARG 561 N -1.76 1.77 -0.29 7.08 1.81 0.30 -4.77 118.95 123.09 3ihp s ARG 561 Ca 0.14 -1.63 -0.13 0.00 -1.72 0.00 0.00 55.73 52.39 3ihp s ARG 561 Cb -0.10 0.43 -0.03 0.00 -0.45 0.00 0.00 34.95 34.80 3ihp s ARG 561 CO 0.06 -0.72 0.30 -0.06 -0.68 0.00 0.00 175.30 174.19 3ihp s PHE 562 N -3.37 3.23 -0.63 -0.53 0.40 -0.29 0.12 117.98 116.92 3ihp s PHE 562 Ca 0.29 0.17 0.25 0.00 -0.60 0.00 0.00 56.93 57.04 3ihp s PHE 562 Cb 0.00 -2.52 0.60 0.00 0.51 0.00 0.00 43.02 41.61 3ihp s PHE 562 CO 0.17 -0.26 1.64 0.00 0.70 0.00 0.00 175.22 177.47 3ihp h ALA 563 N 8.33 0.92 -2.58 5.36 0.00 0.09 0.69 119.26 132.07 3ihp h ALA 563 Ca -0.32 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3ihp h ALA 563 Cb 1.17 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 3ihp h ALA 563 CO 0.62 0.00 -0.09 -1.54 0.00 0.00 0.00 179.25 178.24 3ihp s SER 564 N -4.92 -0.28 -0.17 0.00 1.04 -0.98 -4.87 113.70 103.50 3ihp s SER 564 Ca 0.09 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 3ihp s SER 564 Cb 0.11 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3ihp s SER 564 CO 0.64 -0.71 -0.10 -0.36 0.98 0.00 0.00 173.24 173.69 3ihp s PHE 565 N -2.78 2.87 0.70 5.02 2.99 -1.26 -4.27 117.98 121.25 3ihp s PHE 565 Ca -0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 56.93 55.89 3ihp s PHE 565 Cb -0.00 -1.96 0.01 0.00 0.00 0.00 0.00 43.02 41.06 3ihp s PHE 565 CO -0.05 -0.43 1.09 -1.25 -0.00 0.00 0.00 175.22 174.59 3ihp s PRO 566 N 0.94 2.94 0.29 0.24 0.04 -1.26 -3.48 135.00 134.71 3ihp s PRO 566 Ca -0.02 0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.53 3ihp s PRO 566 Cb -0.15 -2.03 0.53 0.00 0.04 0.00 0.00 34.50 32.90 3ihp s PRO 566 CO -0.01 -0.99 1.89 -0.44 0.04 0.00 0.00 177.00 177.49 3ihp h ASP 567 N -0.62 0.92 -3.34 6.66 5.19 -1.75 -3.39 116.42 120.09 3ihp h ASP 567 Ca -0.45 0.02 -0.53 0.00 -0.62 0.00 0.00 57.03 55.45 3ihp h ASP 567 Cb 1.25 -0.18 -0.40 0.00 0.18 0.00 0.00 39.33 40.18 3ihp h ASP 567 CO 0.63 0.56 -0.77 -0.31 -3.12 0.00 0.00 179.24 176.24 3ihp s TYR 568 N -5.93 1.29 -0.16 4.55 2.02 -0.51 -0.85 117.35 117.76 3ihp s TYR 568 Ca -0.12 -1.03 -0.24 0.00 -0.37 0.00 0.00 57.07 55.32 3ihp s TYR 568 Cb 0.21 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.61 3ihp s TYR 568 CO 0.80 -0.64 0.75 -1.17 -1.57 0.00 0.00 175.55 173.73 3ihp s LEU 569 N 1.77 4.19 -0.26 -1.29 2.96 0.13 -4.36 118.68 121.81 3ihp s LEU 569 Ca -0.02 1.08 -0.09 0.00 -0.22 0.00 0.00 54.13 54.88 3ihp s LEU 569 Cb -0.17 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 3ihp s LEU 569 CO -0.08 -0.32 0.13 -0.69 -1.32 0.00 0.00 176.35 174.08 3ihp s VAL 570 N 1.87 4.88 -0.14 1.68 1.01 -1.26 -0.26 120.40 128.17 3ihp s VAL 570 Ca 0.35 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3ihp s VAL 570 Cb -0.17 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3ihp s VAL 570 CO 0.13 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.71 3ihp s ILE 571 N 1.57 2.38 -0.26 2.22 1.01 -0.09 -0.32 121.20 127.72 3ihp s ILE 571 Ca 0.07 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 3ihp s ILE 571 Cb -0.15 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3ihp s ILE 571 CO 0.07 0.53 0.14 -1.58 0.00 0.00 0.00 174.94 174.10 3ihp s GLN 572 N 0.72 3.87 -0.13 2.79 0.74 0.10 -0.22 119.66 127.54 3ihp s GLN 572 Ca -0.08 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 3ihp s GLN 572 Cb -0.16 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.43 3ihp s GLN 572 CO 0.01 -0.12 1.23 0.42 -0.55 0.00 0.00 175.29 176.29 3ihp s ILE 573 N 1.52 4.28 -0.83 -2.34 -1.09 0.01 -0.12 121.20 122.63 3ihp s ILE 573 Ca 0.07 1.57 -0.08 0.00 -2.23 0.00 0.00 60.65 59.98 3ihp s ILE 573 Cb -0.15 -4.01 -0.17 0.00 -1.58 0.00 0.00 42.46 36.54 3ihp s ILE 573 CO 0.07 -0.09 3.23 1.17 -1.23 0.00 0.00 174.94 178.09 3ihp n LYS 574 N 6.09 2.83 -1.56 2.79 3.00 0.02 -4.79 118.16 126.53 3ihp n LYS 574 Ca 0.13 -1.59 -0.36 0.00 -0.00 0.00 0.00 58.31 56.49 3ihp n LYS 574 Cb 0.45 -2.40 -0.04 0.00 0.00 0.00 0.00 35.03 33.05 3ihp n LYS 574 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3ihp n LYS 575 N 3.08 3.77 -3.83 1.64 2.85 -1.26 -4.44 118.16 119.97 3ihp n LYS 575 Ca 0.60 -2.59 -0.09 0.00 -1.05 0.00 0.00 58.31 55.18 3ihp n LYS 575 Cb 0.55 -2.60 -0.05 0.00 -0.65 0.00 0.00 35.03 32.29 3ihp n LYS 575 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 3ihp s PHE 576 N 0.41 0.06 0.17 5.58 -0.12 -1.26 -1.04 117.98 121.78 3ihp s PHE 576 Ca 0.63 -0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 56.86 3ihp s PHE 576 Cb 0.21 0.28 0.07 0.00 -0.63 0.00 0.00 43.02 42.96 3ihp s PHE 576 CO -0.08 -0.91 1.02 -0.08 -0.05 0.00 0.00 175.22 175.12 3ihp s THR 577 N -3.92 0.00 -0.18 -4.49 -1.32 -0.42 -4.84 115.64 100.47 3ihp s THR 577 Ca 0.13 -0.61 -0.12 0.00 -1.21 0.00 0.00 61.69 59.88 3ihp s THR 577 Cb -0.00 -2.57 -0.05 0.00 -1.51 0.00 0.00 72.50 68.37 3ihp s THR 577 CO 0.00 0.00 0.22 -0.36 -2.21 0.00 0.00 174.62 172.27 3ihp s PHE 578 N -2.54 3.43 0.26 9.09 0.40 -1.26 -0.03 117.98 127.33 3ihp s PHE 578 Ca 0.18 0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 56.96 3ihp s PHE 578 Cb -0.02 -2.27 0.06 0.00 0.51 0.00 0.00 43.02 41.29 3ihp s PHE 578 CO 0.04 0.24 0.36 0.41 0.70 0.00 0.00 175.22 176.97 3ihp n GLY 579 N 3.53 0.14 3.77 4.36 0.00 0.37 -4.89 105.19 112.46 3ihp n GLY 579 Ca -0.14 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 3ihp n GLY 579 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihp s LEU 580 N 0.00 4.18 -0.61 0.99 2.01 -1.26 -2.58 118.68 121.41 3ihp s LEU 580 Ca 0.23 2.95 0.00 0.00 0.01 0.00 0.00 54.13 57.31 3ihp s LEU 580 Cb -0.01 -3.86 0.00 0.00 0.01 0.00 0.00 46.19 42.33 3ihp s LEU 580 CO 0.15 -1.08 0.00 0.47 1.01 0.00 0.00 176.35 176.91 3ihp n ASP 581 N 0.01 -3.72 -2.00 2.29 8.00 -1.26 -3.53 116.55 116.34 3ihp n ASP 581 Ca 0.04 0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.51 3ihp n ASP 581 Cb 0.41 -1.72 -0.04 0.00 -0.02 0.00 0.00 41.12 39.75 3ihp n ASP 581 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3ihp n TRP 582 N -2.82 -0.74 -2.76 1.24 7.02 -1.06 -4.97 117.44 113.35 3ihp n TRP 582 Ca -0.06 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.00 3ihp n TRP 582 Cb 0.19 -3.24 -0.03 0.00 -2.42 0.00 0.00 31.31 25.81 3ihp n TRP 582 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3ihp s VAL 583 N -2.66 4.85 0.30 -0.99 0.11 -1.23 -4.86 120.40 115.92 3ihp s VAL 583 Ca 0.00 1.93 -0.29 0.00 -2.93 0.00 0.00 61.98 60.69 3ihp s VAL 583 Cb 0.00 -4.26 -0.10 0.00 -1.53 0.00 0.00 36.38 30.49 3ihp s VAL 583 CO 0.00 0.08 1.15 -2.84 -3.33 0.00 0.00 175.10 170.16 3ihp s PRO 584 N 1.63 4.53 -0.08 1.54 0.02 -1.26 -0.48 135.00 140.90 3ihp s PRO 584 Ca 0.47 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.42 3ihp s PRO 584 Cb -0.19 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.23 3ihp s PRO 584 CO 0.20 0.08 -0.17 0.21 -0.33 0.00 0.00 177.00 176.99 3ihp s LYS 585 N -1.61 2.18 0.04 5.54 2.20 0.95 -4.69 119.74 124.36 3ihp s LYS 585 Ca 0.47 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 3ihp s LYS 585 Cb -0.34 -1.73 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 3ihp s LYS 585 CO 0.44 0.10 1.03 0.21 -0.36 0.00 0.00 175.35 176.76 3ihp s LYS 586 N 0.50 4.56 -0.50 4.03 2.20 -1.26 -1.31 119.74 127.96 3ihp s LYS 586 Ca -0.15 1.52 -0.26 0.00 -0.36 0.00 0.00 55.97 56.71 3ihp s LYS 586 Cb -0.16 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3ihp s LYS 586 CO 0.05 -0.04 1.01 -0.51 -0.36 0.00 0.00 175.35 175.51 3ihp s LEU 587 N 0.75 3.87 -0.90 5.43 1.43 -0.21 -4.93 118.68 124.11 3ihp s LEU 587 Ca 0.52 0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.52 3ihp s LEU 587 Cb -0.24 -3.19 0.11 0.00 0.03 0.00 0.00 46.19 42.90 3ihp s LEU 587 CO 0.29 -1.19 1.16 -0.62 0.23 0.00 0.00 176.35 176.22 3ihp s ASP 588 N 2.52 6.54 0.16 2.29 2.15 -1.26 -4.76 116.67 124.31 3ihp s ASP 588 Ca 0.39 -1.79 0.10 0.00 0.43 0.00 0.00 52.55 51.67 3ihp s ASP 588 Cb -0.10 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 3ihp s ASP 588 CO 0.26 -1.19 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.17 3ihp s VAL 589 N 3.26 2.02 -0.28 1.11 1.01 -1.26 -3.39 120.40 122.86 3ihp s VAL 589 Ca 0.33 -1.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 3ihp s VAL 589 Cb -0.06 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3ihp s VAL 589 CO -0.07 -0.18 0.09 -0.55 0.00 0.00 0.00 175.10 174.39 3ihp s SER 590 N -2.51 5.17 -0.24 3.32 0.15 0.12 -4.66 113.70 115.05 3ihp s SER 590 Ca 0.16 -0.55 -0.00 0.00 0.70 0.00 0.00 55.95 56.25 3ihp s SER 590 Cb -0.07 -1.91 0.07 0.00 -1.71 0.00 0.00 66.02 62.40 3ihp s SER 590 CO 0.07 -0.15 0.00 -0.63 1.20 0.00 0.00 173.24 173.73 3ihp s ILE 591 N 1.54 1.16 -0.56 6.45 1.01 -0.46 -0.67 121.20 129.67 3ihp s ILE 591 Ca 0.04 -1.10 -0.27 0.00 0.00 0.00 0.00 60.65 59.32 3ihp s ILE 591 Cb -0.17 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 3ihp s ILE 591 CO 0.03 -0.24 1.64 -0.70 0.00 0.00 0.00 174.94 175.66 3ihp s GLU 592 N 1.55 3.02 0.08 2.79 2.56 -1.26 -4.09 118.70 123.35 3ihp s GLU 592 Ca -0.01 0.59 -0.29 0.00 0.00 0.00 0.00 54.97 55.26 3ihp s GLU 592 Cb -0.18 -4.25 -0.05 0.00 2.00 0.00 0.00 34.13 31.65 3ihp s GLU 592 CO -0.10 -2.27 0.93 -1.64 -0.56 0.00 0.00 175.26 171.63 3ihp s MET 593 N 6.17 4.64 0.45 4.30 -1.94 -1.23 -4.50 119.30 127.18 3ihp s MET 593 Ca 0.61 1.38 -0.21 0.00 -1.71 0.00 0.00 55.69 55.75 3ihp s MET 593 Cb -0.13 -3.39 -0.10 0.00 2.01 0.00 0.00 34.83 33.23 3ihp s MET 593 CO 0.24 0.18 1.00 -1.25 -0.01 0.00 0.00 175.02 175.17 3ihp s PRO 594 N 0.17 4.05 0.36 2.03 0.04 -1.26 -4.93 135.00 135.46 3ihp s PRO 594 Ca 0.46 1.28 0.19 0.00 0.04 0.00 0.00 61.00 62.97 3ihp s PRO 594 Cb -0.22 -2.21 0.43 0.00 0.04 0.00 0.00 34.50 32.54 3ihp s PRO 594 CO 0.28 -0.20 1.61 0.93 0.04 0.00 0.00 177.00 179.66 3ihp h GLU 595 N 1.87 0.00 -5.25 4.56 5.08 -1.95 -3.41 114.58 115.48 3ihp h GLU 595 Ca -0.49 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.20 3ihp h GLU 595 Cb 1.20 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.13 3ihp h GLU 595 CO 0.60 0.34 -0.85 -1.21 -1.00 0.00 0.00 179.01 176.89 3ihp s GLU 596 N -3.26 3.10 -0.22 2.33 0.41 -1.26 -0.88 118.70 118.92 3ihp s GLU 596 Ca 0.03 -0.82 -0.00 0.00 -0.41 0.00 0.00 54.97 53.76 3ihp s GLU 596 Cb 0.08 -2.46 0.06 0.00 -1.78 0.00 0.00 34.13 30.03 3ihp s GLU 596 CO 0.69 0.07 -0.04 -1.17 -0.49 0.00 0.00 175.26 174.33 3ihp s LEU 597 N 0.63 2.17 -0.30 1.80 0.20 -0.43 -4.98 118.68 117.77 3ihp s LEU 597 Ca -0.11 -1.03 -0.08 0.00 0.69 0.00 0.00 54.13 53.60 3ihp s LEU 597 Cb -0.16 -1.03 -0.01 0.00 -0.43 0.00 0.00 46.19 44.56 3ihp s LEU 597 CO 0.02 -0.24 0.12 -0.62 -0.29 0.00 0.00 176.35 175.34 3ihp s ASP 598 N 1.51 5.37 -0.05 3.68 -1.08 -1.26 0.11 116.67 124.95 3ihp s ASP 598 Ca -0.04 -0.53 0.07 0.00 -0.52 0.00 0.00 52.55 51.53 3ihp s ASP 598 Cb -0.18 -1.96 0.11 0.00 -1.46 0.00 0.00 42.92 39.43 3ihp s ASP 598 CO -0.07 -0.17 1.04 0.00 0.52 0.00 0.00 175.17 176.49 3ihp n ILE 599 N 4.94 1.28 0.24 4.11 3.06 -0.19 -4.74 119.36 128.06 3ihp n ILE 599 Ca -0.14 -1.42 0.12 0.00 -2.50 0.00 0.00 62.75 58.81 3ihp n ILE 599 Cb 0.49 0.24 0.53 0.00 0.54 0.00 0.00 39.64 41.44 3ihp n ILE 599 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3ihp h SER 600 N 0.00 0.00 0.35 9.51 4.64 -1.92 -0.99 113.55 125.14 3ihp h SER 600 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ihp h SER 600 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3ihp h SER 600 CO 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 3ihp n GLN 601 N -3.32 0.08 -0.43 4.77 0.00 -1.26 -2.20 117.38 115.02 3ihp n GLN 601 Ca 0.00 0.43 0.11 0.00 0.00 0.00 0.00 57.00 57.54 3ihp n GLN 601 Cb 0.39 -1.68 0.33 0.00 0.00 0.00 0.00 30.24 29.27 3ihp n GLN 601 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3ihp n LEU 602 N -1.83 4.05 -4.72 2.61 4.77 -0.37 -4.96 117.00 116.55 3ihp n LEU 602 Ca 0.01 -2.03 -0.42 0.00 -0.03 0.00 0.00 56.01 53.55 3ihp n LEU 602 Cb 0.12 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 3ihp n LEU 602 CO 0.11 0.91 0.90 -0.60 -1.33 0.00 0.00 177.39 177.38 3ihp s ARG 603 N -1.26 4.44 0.44 3.23 3.52 -0.94 -1.13 118.95 127.26 3ihp s ARG 603 Ca 0.48 1.82 -0.22 0.00 -0.13 0.00 0.00 55.73 57.69 3ihp s ARG 603 Cb 0.27 -3.31 -0.09 0.00 -1.56 0.00 0.00 34.95 30.26 3ihp s ARG 603 CO 0.30 -0.22 1.01 0.20 -0.81 0.00 0.00 175.30 175.78 3ihp s GLY 604 N 0.79 2.53 0.00 8.12 0.00 0.24 -4.79 107.32 114.22 3ihp s GLY 604 Ca 0.57 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.85 3ihp s GLY 604 CO 0.31 0.89 0.07 -0.37 0.00 0.00 0.00 173.10 174.00 3ihp n THR 605 N -0.61 0.00 -3.55 0.90 5.66 -1.26 -4.72 114.28 110.70 3ihp n THR 605 Ca 0.07 -0.31 0.01 0.00 -3.05 0.00 0.00 64.05 60.77 3ihp n THR 605 Cb 0.52 1.08 -0.00 0.00 -1.55 0.00 0.00 70.33 70.38 3ihp n THR 605 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ihp n GLY 606 N 0.49 -1.81 3.65 1.09 0.00 -1.26 -4.76 105.19 102.59 3ihp n GLY 606 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3ihp n GLY 606 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ihp s LEU 607 N 0.00 4.20 0.01 0.99 2.96 -1.26 -5.00 118.68 120.58 3ihp s LEU 607 Ca 0.00 2.48 -0.09 0.00 -0.22 0.00 0.00 54.13 56.30 3ihp s LEU 607 Cb 0.00 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 3ihp s LEU 607 CO 0.00 -1.27 0.32 -1.58 -1.32 0.00 0.00 176.35 172.50 3ihp s GLN 608 N 4.92 3.69 0.18 1.98 2.00 -1.26 -5.05 119.66 126.12 3ihp s GLN 608 Ca 0.91 0.09 -0.32 0.00 -2.00 0.00 0.00 55.36 54.05 3ihp s GLN 608 Cb -0.40 -3.09 -0.11 0.00 0.80 0.00 0.00 33.01 30.21 3ihp s GLN 608 CO 0.40 0.64 1.61 -1.25 -0.50 0.00 0.00 175.29 176.20 3ihp s PRO 609 N -1.59 4.19 0.00 1.67 0.04 -1.26 -1.71 135.00 136.33 3ihp s PRO 609 Ca 0.27 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.75 3ihp s PRO 609 Cb -0.14 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3ihp s PRO 609 CO 0.15 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.95 3ihp n GLY 610 N 3.73 2.14 3.67 0.56 0.00 -1.26 -5.10 105.19 108.93 3ihp n GLY 610 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3ihp n GLY 610 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihp s GLU 611 N -0.38 4.06 0.06 1.61 2.02 -0.69 -5.09 118.70 120.29 3ihp s GLU 611 Ca 0.00 -0.28 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 3ihp s GLU 611 Cb 0.00 -3.40 -0.07 0.00 0.10 0.00 0.00 34.13 30.76 3ihp s GLU 611 CO 0.00 0.19 0.56 -1.21 0.02 0.00 0.00 175.26 174.82 3ihp s GLU 612 N 0.67 4.19 0.19 1.61 2.02 -1.26 -4.87 118.70 121.25 3ihp s GLU 612 Ca 0.06 0.72 -0.23 0.00 0.02 0.00 0.00 54.97 55.54 3ihp s GLU 612 Cb -0.12 -3.24 -0.08 0.00 0.10 0.00 0.00 34.13 30.78 3ihp s GLU 612 CO 0.01 0.63 0.75 -1.21 0.02 0.00 0.00 175.26 175.46 3ihp s GLU 613 N -1.05 4.43 0.27 1.61 2.02 -1.26 -1.07 118.70 123.65 3ihp s GLU 613 Ca 0.29 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 56.02 3ihp s GLU 613 Cb -0.19 -3.10 -0.10 0.00 0.10 0.00 0.00 34.13 30.84 3ihp s GLU 613 CO 0.19 0.50 1.38 -0.51 0.02 0.00 0.00 175.26 176.83 3ihp s LEU 614 N -1.49 4.40 0.94 1.80 1.43 -0.37 -4.75 118.68 120.65 3ihp s LEU 614 Ca 0.39 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 56.01 3ihp s LEU 614 Cb -0.20 -3.63 0.16 0.00 0.03 0.00 0.00 46.19 42.55 3ihp s LEU 614 CO 0.24 -0.62 1.12 -2.84 0.23 0.00 0.00 176.35 174.48 3ihp s PRO 615 N -0.80 0.80 0.00 1.29 0.02 -1.26 -4.98 135.00 130.07 3ihp s PRO 615 Ca 0.55 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3ihp s PRO 615 Cb -0.40 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.40 3ihp s PRO 615 CO 0.46 -2.72 0.00 -0.25 -0.33 0.00 0.00 177.00 174.16 3ihp n ASP 616 N -4.28 0.19 -0.92 2.53 9.92 -1.26 -4.80 116.55 117.92 3ihp n ASP 616 Ca 0.10 -0.82 0.12 0.00 -0.53 0.00 0.00 54.79 53.66 3ihp n ASP 616 Cb 0.53 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.97 3ihp n ASP 616 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3ihp n ILE 617 N -0.74 0.00 0.00 0.53 -0.00 -1.26 -5.09 119.36 112.80 3ihp n ILE 617 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.96 3ihp n ILE 617 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.12 3ihp n ILE 617 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3ihp n LEU 632 N -3.47 0.00 0.00 1.39 4.32 -1.26 -4.81 117.00 113.17 3ihp n LEU 632 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 3ihp n LEU 632 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3ihp n LEU 632 CO 0.01 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 176.65 3ihp n ASP 633 N 0.00 0.00 -4.65 -1.43 8.00 -1.26 -5.19 116.55 112.02 3ihp n ASP 633 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 3ihp n ASP 633 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3ihp n ASP 633 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ihp s GLU 634 N 2.90 2.00 0.42 -1.24 2.12 -1.26 -5.04 118.70 118.60 3ihp s GLU 634 Ca 0.00 -2.15 0.17 0.00 0.36 0.00 0.00 54.97 53.35 3ihp s GLU 634 Cb 0.00 -1.63 0.94 0.00 0.26 0.00 0.00 34.13 33.71 3ihp s GLU 634 CO 0.00 -0.10 1.91 0.77 -0.54 0.00 0.00 175.26 177.29 3ihp h SER 635 N 1.70 0.00 0.11 -1.70 0.02 -2.03 -2.60 113.55 109.05 3ihp h SER 635 Ca -0.44 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.22 3ihp h SER 635 Cb 1.25 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.82 3ihp h SER 635 CO 0.80 0.28 -1.21 0.58 -1.14 0.00 0.00 176.83 176.13 3ihp h VAL 636 N 0.00 1.29 -0.44 2.27 2.07 -1.97 -3.18 116.25 116.29 3ihp h VAL 636 Ca -0.00 -2.44 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 3ihp h VAL 636 Cb 0.54 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3ihp h VAL 636 CO 0.04 0.74 0.21 0.40 0.02 0.00 0.00 177.57 178.98 3ihp h ILE 637 N 0.26 1.18 -0.86 4.57 2.04 -1.85 -2.92 117.51 119.93 3ihp h ILE 637 Ca -0.18 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3ihp h ILE 637 Cb 1.89 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3ihp h ILE 637 CO 0.23 0.20 0.57 0.16 0.00 0.00 0.00 178.15 179.31 3ihp h ILE 638 N 0.57 1.22 -0.88 -0.67 3.07 -1.58 -2.52 117.51 116.72 3ihp h ILE 638 Ca 0.15 -0.40 0.08 0.00 1.55 0.00 0.00 64.86 66.23 3ihp h ILE 638 Cb 0.12 -0.04 -0.06 0.00 -0.27 0.00 0.00 36.82 36.57 3ihp h ILE 638 CO -0.02 0.21 0.57 1.56 -1.05 0.00 0.00 178.15 179.42 3ihp h GLN 639 N 1.16 0.92 0.17 0.16 4.20 -1.51 -2.83 115.11 117.39 3ihp h GLN 639 Ca 0.31 -0.06 -0.33 0.00 0.06 0.00 0.00 58.65 58.64 3ihp h GLN 639 Cb -0.13 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.45 3ihp h GLN 639 CO -0.07 0.61 -1.57 -0.07 -0.67 0.00 0.00 178.83 177.06 3ihp h LEU 640 N 0.95 0.58 -1.48 1.46 3.38 -1.27 -3.15 115.31 115.77 3ihp h LEU 640 Ca 0.39 -0.75 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 3ihp h LEU 640 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ihp h LEU 640 CO -0.15 1.61 -0.21 -0.37 0.09 0.00 0.00 178.44 179.41 3ihp h VAL 641 N 0.10 0.67 -0.05 1.22 -1.51 -1.49 -1.80 116.25 113.38 3ihp h VAL 641 Ca -0.27 -0.91 -0.05 0.00 -1.23 0.00 0.00 66.70 64.24 3ihp h VAL 641 Cb 2.08 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 3ihp h VAL 641 CO 0.20 0.20 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.19 3ihp h GLU 642 N 0.00 0.08 0.00 5.19 4.39 -1.53 -2.71 114.58 120.00 3ihp h GLU 642 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ihp h GLU 642 Cb 0.56 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3ihp h GLU 642 CO 0.03 0.31 0.00 0.52 -1.16 0.00 0.00 179.01 178.70 3ihp h MET 643 N 0.08 0.00 0.00 2.33 2.86 -1.28 -3.47 114.93 115.44 3ihp h MET 643 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3ihp h MET 643 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3ihp h MET 643 CO 0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.41 3ihp n GLY 644 N 1.10 1.01 3.75 8.32 0.00 -1.02 -5.10 105.19 113.24 3ihp n GLY 644 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ihp n GLY 644 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihp s PHE 645 N -2.00 3.09 0.35 1.61 0.08 -1.12 -4.97 117.98 115.03 3ihp s PHE 645 Ca 0.00 1.14 -0.28 0.00 0.12 0.00 0.00 56.93 57.91 3ihp s PHE 645 Cb 0.00 -3.74 -0.10 0.00 -0.57 0.00 0.00 43.02 38.62 3ihp s PHE 645 CO 0.00 -2.32 1.27 -2.14 -0.10 0.00 0.00 175.22 171.93 3ihp s PRO 646 N -0.49 4.27 0.25 0.24 0.02 -1.26 -4.10 135.00 133.93 3ihp s PRO 646 Ca 0.57 2.13 -0.08 0.00 0.02 0.00 0.00 61.00 63.64 3ihp s PRO 646 Cb -0.40 -2.98 0.43 0.00 0.02 0.00 0.00 34.50 31.57 3ihp s PRO 646 CO 0.43 -0.22 1.61 1.98 -0.33 0.00 0.00 177.00 180.47 3ihp h MET 647 N 3.20 0.04 -0.52 5.54 4.05 -1.96 -2.38 114.93 122.91 3ihp h MET 647 Ca -0.49 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 3ihp h MET 647 Cb 1.23 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 3ihp h MET 647 CO 0.65 0.03 0.29 -0.44 0.23 0.00 0.00 176.91 177.66 3ihp h ASP 648 N 0.04 0.65 -0.47 1.39 5.19 -2.00 -1.78 116.42 119.45 3ihp h ASP 648 Ca 0.42 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.72 3ihp h ASP 648 Cb 0.72 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 3ihp h ASP 648 CO -0.77 0.55 0.20 0.00 -3.12 0.00 0.00 179.24 176.11 3ihp h ALA 649 N 1.12 0.61 -0.82 3.45 0.00 -1.80 -1.87 119.26 119.94 3ihp h ALA 649 Ca 0.18 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3ihp h ALA 649 Cb 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 3ihp h ALA 649 CO -0.03 0.19 0.48 0.00 0.00 0.00 0.00 179.25 179.89 3ihp h ARG 651 N 0.81 0.97 0.00 0.00 3.08 -0.98 -2.40 114.38 115.88 3ihp h ARG 651 Ca 0.39 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3ihp h ARG 651 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3ihp h ARG 651 CO -0.23 0.96 -0.42 0.87 -1.07 0.00 0.00 179.97 180.08 3ihp h LYS 652 N 0.86 0.00 -0.29 0.04 1.57 -0.84 -3.10 116.57 114.81 3ihp h LYS 652 Ca 0.16 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3ihp h LYS 652 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3ihp h LYS 652 CO 0.02 0.42 -0.13 0.00 -0.57 0.00 0.00 179.45 179.20 3ihp h ALA 653 N 1.58 0.41 0.00 3.86 0.00 -0.32 -1.03 119.26 123.76 3ihp h ALA 653 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3ihp h ALA 653 Cb 0.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ihp h ALA 653 CO 0.05 0.28 -0.35 -0.24 0.00 0.00 0.00 179.25 179.00 3ihp h VAL 654 N 0.35 0.61 0.19 0.00 3.04 -1.53 -2.86 116.25 116.05 3ihp h VAL 654 Ca 0.07 -1.82 -0.31 0.00 -1.01 0.00 0.00 66.70 63.63 3ihp h VAL 654 Cb 0.64 2.27 0.02 0.00 -2.01 0.00 0.00 31.29 32.21 3ihp h VAL 654 CO 0.04 0.34 -1.43 0.22 -1.01 0.00 0.00 177.57 175.73 3ihp h TYR 655 N 0.00 0.73 -0.01 3.17 3.20 -1.46 -1.59 116.97 121.02 3ihp h TYR 655 Ca -0.00 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 61.33 3ihp h TYR 655 Cb 1.24 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.48 3ihp h TYR 655 CO 0.00 1.45 -0.04 0.66 -1.64 0.00 0.00 178.16 178.60 3ihp n TYR 656 N -3.61 0.00 0.80 -3.82 4.02 -0.40 -2.99 117.16 111.17 3ihp n TYR 656 Ca -0.15 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.83 3ihp n TYR 656 Cb 1.07 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 40.31 3ihp n TYR 656 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3ihp n THR 657 N -0.24 0.00 -3.02 -0.72 -2.24 -1.08 -5.01 114.28 101.97 3ihp n THR 657 Ca 0.19 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3ihp n THR 657 Cb 0.30 1.12 0.04 0.00 -2.10 0.00 0.00 70.33 69.69 3ihp n THR 657 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihp n GLY 658 N 1.31 0.21 4.03 3.38 0.00 -1.16 -3.57 105.19 109.39 3ihp n GLY 658 Ca 0.06 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3ihp n GLY 658 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ihp n ASN 659 N -0.81 -3.25 -0.20 1.61 4.13 -0.60 -4.87 115.26 111.26 3ihp n ASN 659 Ca -0.01 -1.22 0.10 0.00 1.68 0.00 0.00 54.58 55.13 3ihp n ASN 659 Cb 0.53 -2.09 0.50 0.00 -1.54 0.00 0.00 39.78 37.19 3ihp n ASN 659 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3ihp n SER 660 N -2.43 0.60 0.00 6.41 7.64 -1.23 -5.02 113.62 119.59 3ihp n SER 660 Ca -0.16 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.22 3ihp n SER 660 Cb 0.60 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3ihp n SER 660 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ihp n GLY 661 N 0.92 -1.55 0.14 0.23 0.00 -1.26 -4.74 105.19 98.93 3ihp n GLY 661 Ca 0.15 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 3ihp n GLY 661 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihp h ALA 662 N 0.00 0.04 -0.60 4.61 0.00 -1.95 -3.11 119.26 118.24 3ihp h ALA 662 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.30 3ihp h ALA 662 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ihp h ALA 662 CO 0.00 0.39 0.40 0.93 0.00 0.00 0.00 179.25 180.97 3ihp h GLU 663 N -0.12 0.78 0.00 0.00 5.08 -1.99 0.44 114.58 118.78 3ihp h GLU 663 Ca -0.10 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3ihp h GLU 663 Cb 1.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3ihp h GLU 663 CO 0.14 0.52 -0.33 0.00 -1.00 0.00 0.00 179.01 178.33 3ihp h ALA 664 N 1.23 1.37 0.04 3.43 0.00 -1.85 -1.82 119.26 121.65 3ihp h ALA 664 Ca 0.22 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3ihp h ALA 664 Cb -0.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ihp h ALA 664 CO -0.05 0.42 -1.08 0.00 0.00 0.00 0.00 179.25 178.54 3ihp h ALA 665 N 1.67 0.18 -0.14 0.00 0.00 -1.24 -2.85 119.26 116.88 3ihp h ALA 665 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3ihp h ALA 665 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ihp h ALA 665 CO 0.04 0.77 0.09 1.98 0.00 0.00 0.00 179.25 182.13 3ihp h MET 666 N 0.27 0.19 -0.99 0.00 -1.53 0.09 -1.71 114.93 111.25 3ihp h MET 666 Ca -0.13 -0.01 0.14 0.00 -3.44 0.00 0.00 59.70 56.26 3ihp h MET 666 Cb 1.73 -0.04 -0.09 0.00 -0.55 0.00 0.00 31.60 32.65 3ihp h MET 666 CO 0.20 0.13 0.61 -0.91 0.14 0.00 0.00 176.91 177.07 3ihp h ASN 667 N 0.19 0.85 0.35 1.39 -0.26 -1.40 -2.23 115.58 114.47 3ihp h ASN 667 Ca 0.05 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 3ihp h ASN 667 Cb -0.02 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 3ihp h ASN 667 CO -0.01 0.41 -0.17 -0.25 -1.06 0.00 0.00 177.43 176.35 3ihp h TRP 668 N 0.90 -0.44 -0.87 1.19 7.01 -1.16 -2.63 115.95 119.96 3ihp h TRP 668 Ca 0.51 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.65 3ihp h TRP 668 Cb 0.60 0.15 -0.09 0.00 -2.10 0.00 0.00 29.16 27.71 3ihp h TRP 668 CO -0.01 -0.15 0.46 -0.39 -2.79 0.00 0.00 178.44 175.56 3ihp h VAL 669 N -0.71 0.75 0.00 2.65 -1.51 -1.15 0.23 116.25 116.50 3ihp h VAL 669 Ca -0.05 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 3ihp h VAL 669 Cb 0.49 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.68 3ihp h VAL 669 CO 0.08 0.12 -0.11 0.24 -1.23 0.00 0.00 177.57 176.67 3ihp h MET 670 N 0.66 0.00 0.05 5.19 2.86 -1.33 -1.17 114.93 121.19 3ihp h MET 670 Ca 0.47 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.83 3ihp h MET 670 Cb 0.65 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 3ihp h MET 670 CO -0.35 0.11 -1.49 0.77 1.06 0.00 0.00 176.91 177.01 3ihp h SER 671 N 0.00 0.18 0.00 1.22 0.02 -0.62 -3.43 113.55 110.92 3ihp h SER 671 Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3ihp h SER 671 Cb 0.21 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3ihp h SER 671 CO 0.01 1.23 0.00 1.41 -1.14 0.00 0.00 176.83 178.34 3ihp n HIS 672 N -3.30 0.00 0.25 3.45 -0.00 -0.51 -4.75 115.22 110.35 3ihp n HIS 672 Ca -0.14 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.72 3ihp n HIS 672 Cb 1.02 0.00 0.80 0.00 -0.00 0.00 0.00 29.99 31.81 3ihp n HIS 672 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ihp h MET 673 N 0.00 0.00 -0.00 -0.41 -0.00 -1.42 -0.36 114.93 112.73 3ihp h MET 673 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3ihp h MET 673 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 3ihp h MET 673 CO 0.00 0.00 -0.35 -0.25 -0.00 0.00 0.00 176.91 176.31 3ihp n ASP 674 N -4.09 0.83 -4.74 -0.10 8.00 -1.26 -4.90 116.55 110.29 3ihp n ASP 674 Ca -0.01 -0.66 -0.38 0.00 0.71 0.00 0.00 54.79 54.45 3ihp n ASP 674 Cb 0.17 0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.51 3ihp n ASP 674 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ihp s ASP 675 N -2.68 4.82 1.01 -2.24 1.11 -0.15 -5.02 116.67 113.53 3ihp s ASP 675 Ca 0.19 2.69 -0.12 0.00 0.18 0.00 0.00 52.55 55.49 3ihp s ASP 675 Cb 0.19 -2.63 0.20 0.00 1.07 0.00 0.00 42.92 41.75 3ihp s ASP 675 CO 0.59 -1.86 1.08 -2.84 1.18 0.00 0.00 175.17 173.32 3ihp s PRO 676 N -3.21 0.32 0.27 8.23 0.02 -1.26 -4.96 135.00 134.41 3ihp s PRO 676 Ca 0.79 0.60 -0.01 0.00 0.02 0.00 0.00 61.00 62.39 3ihp s PRO 676 Cb -0.39 -1.72 0.37 0.00 0.02 0.00 0.00 34.50 32.78 3ihp s PRO 676 CO 0.43 -2.83 1.78 -0.44 -0.33 0.00 0.00 177.00 175.61 3ihp h ASP 677 N -1.96 0.72 1.43 2.53 3.45 -1.95 -2.81 116.42 117.83 3ihp h ASP 677 Ca -0.55 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 56.74 3ihp h ASP 677 Cb 1.33 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3ihp h ASP 677 CO 0.56 0.79 0.00 2.19 -1.57 0.00 0.00 179.24 181.21 3ihp h PHE 678 N 0.71 0.00 -0.51 4.55 -0.00 -1.99 -3.18 116.94 116.51 3ihp h PHE 678 Ca 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.07 3ihp h PHE 678 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.36 3ihp h PHE 678 CO 0.02 0.00 0.18 0.00 -0.00 0.00 0.00 178.31 178.51 3ihp h ALA 679 N 2.32 0.67 -2.48 12.09 0.00 -1.81 -3.34 119.26 126.71 3ihp h ALA 679 Ca 0.00 -0.17 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 3ihp h ALA 679 Cb 0.72 -0.20 -0.40 0.00 0.00 0.00 0.00 17.79 17.90 3ihp h ALA 679 CO 0.00 0.31 -0.78 0.09 0.00 0.00 0.00 179.25 178.87 3ihp n ASN 680 N -4.51 1.83 -4.74 0.00 3.02 -1.22 -4.98 115.26 104.66 3ihp n ASN 680 Ca 0.02 -2.97 -0.41 0.00 -0.03 0.00 0.00 54.58 51.19 3ihp n ASN 680 Cb 0.18 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.65 3ihp n ASN 680 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ihp s PRO 681 N -1.30 4.60 -0.06 3.52 0.04 -1.20 -4.95 135.00 135.64 3ihp s PRO 681 Ca 0.33 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 3ihp s PRO 681 Cb 0.07 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.38 3ihp s PRO 681 CO -0.13 0.11 0.02 -1.17 0.04 0.00 0.00 177.00 175.87 3ihp s LEU 682 N -0.64 0.47 -0.21 -3.56 2.96 -1.26 -5.12 118.68 111.32 3ihp s LEU 682 Ca 0.48 -0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 54.08 3ihp s LEU 682 Cb -0.30 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.06 3ihp s LEU 682 CO 0.36 -0.21 0.98 -0.63 -1.32 0.00 0.00 176.35 175.54 3ihp s ILE 683 N 1.99 4.73 0.00 6.68 1.01 -1.26 -5.13 121.20 129.23 3ihp s ILE 683 Ca 0.04 1.92 -0.02 0.00 0.00 0.00 0.00 60.65 62.59 3ihp s ILE 683 Cb -0.12 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 3ihp s ILE 683 CO -0.04 -0.12 0.93 -0.07 0.00 0.00 0.00 174.94 175.64 3ihp h LEU 684 N 9.15 -0.05 -8.27 2.97 -0.00 -2.06 -3.55 115.31 113.51 3ihp h LEU 684 Ca -0.22 0.00 -0.69 0.00 -0.00 0.00 0.00 57.88 56.97 3ihp h LEU 684 Cb 1.08 0.01 0.06 0.00 -0.00 0.00 0.00 40.66 41.82 3ihp h LEU 684 CO 0.94 -0.04 -0.10 -0.90 -0.00 0.00 0.00 178.44 178.34 3ihp n ASP 698 N -2.18 -0.33 -4.63 -0.43 5.75 -1.26 -5.32 116.55 108.15 3ihp n ASP 698 Ca -0.01 1.06 -0.36 0.00 -0.01 0.00 0.00 54.79 55.47 3ihp n ASP 698 Cb 0.02 -0.85 0.08 0.00 -1.03 0.00 0.00 41.12 39.34 3ihp n ASP 698 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3ihp n PRO 699 N 1.25 0.65 -2.44 0.11 -0.02 -1.26 -5.00 135.00 128.30 3ihp n PRO 699 Ca 0.18 0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 3ihp n PRO 699 Cb 0.12 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 3ihp n PRO 699 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ihp s PRO 700 N -3.22 3.80 0.13 0.52 0.04 -1.26 -4.98 135.00 130.02 3ihp s PRO 700 Ca 0.75 1.52 -0.35 0.00 0.04 0.00 0.00 61.00 62.96 3ihp s PRO 700 Cb -0.36 -2.24 -0.16 0.00 0.04 0.00 0.00 34.50 31.78 3ihp s PRO 700 CO 0.48 -0.46 1.41 -2.30 0.04 0.00 0.00 177.00 176.17 3ihp n PRO 701 N -0.73 1.53 0.26 0.56 -0.02 -1.26 -4.84 135.00 130.50 3ihp n PRO 701 Ca 0.08 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3ihp n PRO 701 Cb 0.51 -2.23 0.81 0.00 -0.02 0.00 0.00 33.50 32.57 3ihp n PRO 701 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ihp h GLU 702 N 4.93 0.00 -0.00 -0.52 4.57 -2.02 -1.55 114.58 119.99 3ihp h GLU 702 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3ihp h GLU 702 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3ihp h GLU 702 CO 0.81 0.00 -0.23 -0.40 -1.18 0.00 0.00 179.01 178.01 3ihp n ASP 703 N -4.07 0.41 -0.07 1.04 5.75 -1.26 -2.59 116.55 115.77 3ihp n ASP 703 Ca -0.02 -0.22 -0.16 0.00 -0.01 0.00 0.00 54.79 54.39 3ihp n ASP 703 Cb 0.15 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 3ihp n ASP 703 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ihp h VAL 705 N 0.65 0.70 -0.19 0.00 2.07 -1.54 -2.76 116.25 115.18 3ihp h VAL 705 Ca -0.00 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3ihp h VAL 705 Cb 1.22 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3ihp h VAL 705 CO 0.13 0.04 -0.17 0.74 0.02 0.00 0.00 177.57 178.34 3ihp h THR 706 N 0.22 1.33 -0.61 2.57 2.02 -1.67 -0.27 112.91 116.50 3ihp h THR 706 Ca 0.25 -1.31 0.11 0.00 0.77 0.00 0.00 66.41 66.24 3ihp h THR 706 Cb 0.35 1.75 -0.12 0.00 -1.74 0.00 0.00 68.15 68.39 3ihp h THR 706 CO -0.34 0.40 -0.29 0.74 0.37 0.00 0.00 175.52 176.40 3ihp h THR 707 N 0.13 0.21 0.02 3.16 2.02 -1.55 0.68 112.91 117.58 3ihp h THR 707 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3ihp h THR 707 Cb 0.70 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3ihp h THR 707 CO 0.04 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.32 3ihp h ILE 708 N -0.12 1.29 -0.43 3.11 2.04 -1.27 -2.74 117.51 119.39 3ihp h ILE 708 Ca 0.26 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.26 3ihp h ILE 708 Cb 0.54 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.47 3ihp h ILE 708 CO -0.68 0.24 -0.00 0.58 0.00 0.00 0.00 178.15 178.28 3ihp h VAL 709 N -0.43 0.67 0.00 1.67 2.07 -0.74 -0.34 116.25 119.14 3ihp h VAL 709 Ca -0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3ihp h VAL 709 Cb 0.41 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3ihp h VAL 709 CO 0.00 0.02 0.00 -1.20 0.02 0.00 0.00 177.57 176.41 3ihp n SER 710 N -5.21 0.00 0.02 0.57 7.64 0.21 -0.71 113.62 116.13 3ihp n SER 710 Ca 0.03 0.29 0.13 0.00 1.01 0.00 0.00 58.87 60.33 3ihp n SER 710 Cb 0.23 -0.40 0.53 0.00 -1.01 0.00 0.00 64.21 63.56 3ihp n SER 710 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3ihp n MET 711 N -1.40 0.04 0.00 1.43 2.00 -0.14 -4.90 117.12 114.16 3ihp n MET 711 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.85 3ihp n MET 711 Cb 0.15 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 31.82 3ihp n MET 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ihp n GLY 712 N 1.15 1.00 3.18 3.03 0.00 0.11 -4.54 105.19 109.12 3ihp n GLY 712 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3ihp n GLY 712 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihp s PHE 713 N -2.00 1.24 0.86 1.61 0.08 -0.64 -4.76 117.98 114.37 3ihp s PHE 713 Ca 0.00 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 3ihp s PHE 713 Cb 0.00 -0.69 0.11 0.00 -0.57 0.00 0.00 43.02 41.87 3ihp s PHE 713 CO 0.00 0.06 1.11 -1.54 -0.10 0.00 0.00 175.22 174.75 3ihp s SER 714 N -1.82 3.59 0.20 1.36 1.04 -1.26 -4.20 113.70 112.60 3ihp s SER 714 Ca -0.01 1.87 -0.12 0.00 0.48 0.00 0.00 55.95 58.17 3ihp s SER 714 Cb -0.09 -2.47 0.24 0.00 0.10 0.00 0.00 66.02 63.80 3ihp s SER 714 CO 0.02 -2.63 1.69 -0.09 0.98 0.00 0.00 173.24 173.21 3ihp h ARG 715 N -1.54 0.15 -0.18 4.02 2.43 -1.95 -1.95 114.38 115.37 3ihp h ARG 715 Ca -0.45 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 3ihp h ARG 715 Cb 1.26 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3ihp h ARG 715 CO 0.48 0.10 -0.28 0.22 -1.51 0.00 0.00 179.97 178.98 3ihp h ASP 716 N 0.16 0.34 -0.06 -3.80 3.58 -2.00 -2.10 116.42 112.54 3ihp h ASP 716 Ca 0.28 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 3ihp h ASP 716 Cb 0.43 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 3ihp h ASP 716 CO -0.43 0.62 -0.04 1.56 -2.88 0.00 0.00 179.24 178.07 3ihp h GLN 717 N 0.30 0.14 -0.69 0.28 4.20 -1.84 -2.16 115.11 115.34 3ihp h GLN 717 Ca 0.04 -0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.83 3ihp h GLN 717 Cb 0.66 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.33 3ihp h GLN 717 CO 0.05 0.54 0.13 0.00 -0.67 0.00 0.00 178.83 178.87 3ihp h ALA 718 N 0.59 0.83 -0.13 3.87 0.00 -0.84 -1.48 119.26 122.10 3ihp h ALA 718 Ca 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ihp h ALA 718 Cb 0.51 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ihp h ALA 718 CO 0.01 -0.35 -0.05 -0.07 0.00 0.00 0.00 179.25 178.80 3ihp h LEU 719 N 0.23 0.27 -0.66 0.00 3.38 -1.37 -1.63 115.31 115.53 3ihp h LEU 719 Ca 0.38 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3ihp h LEU 719 Cb 0.63 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 3ihp h LEU 719 CO -0.50 0.60 0.26 0.11 0.09 0.00 0.00 178.44 178.99 3ihp h LYS 720 N -0.06 0.42 -0.45 1.13 1.57 -0.92 0.93 116.57 119.20 3ihp h LYS 720 Ca 0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ihp h LYS 720 Cb 0.49 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3ihp h LYS 720 CO 0.02 0.28 0.27 0.00 -0.57 0.00 0.00 179.45 179.45 3ihp h ALA 721 N 1.45 0.57 -0.30 3.86 0.00 -1.18 -1.82 119.26 121.85 3ihp h ALA 721 Ca 0.34 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3ihp h ALA 721 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ihp h ALA 721 CO -0.33 0.06 -0.32 -0.07 0.00 0.00 0.00 179.25 178.58 3ihp h LEU 722 N 0.60 0.68 -0.74 0.00 3.38 -0.39 -2.85 115.31 115.99 3ihp h LEU 722 Ca 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3ihp h LEU 722 Cb -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3ihp h LEU 722 CO -0.03 0.95 0.30 -0.09 0.09 0.00 0.00 178.44 179.66 3ihp h ARG 723 N 0.56 1.10 0.00 1.13 2.43 -0.74 -1.28 114.38 117.58 3ihp h ARG 723 Ca 0.06 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3ihp h ARG 723 Cb 0.82 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3ihp h ARG 723 CO 0.07 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.43 3ihp h ALA 724 N 1.15 1.00 0.00 2.80 0.00 -1.09 -3.27 119.26 119.84 3ihp h ALA 724 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ihp h ALA 724 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3ihp h ALA 724 CO -0.02 0.00 -0.36 0.25 0.00 0.00 0.00 179.25 179.12 3ihp n THR 725 N -2.34 1.27 -3.91 0.00 -2.24 -1.15 -4.99 114.28 100.92 3ihp n THR 725 Ca 0.02 -1.78 -0.27 0.00 -2.27 0.00 0.00 64.05 59.75 3ihp n THR 725 Cb 0.25 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3ihp n THR 725 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ihp n ASN 726 N -0.78 -1.84 0.00 3.42 5.15 -1.18 -1.56 115.26 118.46 3ihp n ASN 726 Ca 0.12 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 3ihp n ASN 726 Cb 0.73 -3.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.50 3ihp n ASN 726 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3ihp n ASN 727 N -2.93 -3.28 -4.55 1.20 5.03 -0.50 -4.89 115.26 105.33 3ihp n ASN 727 Ca -0.19 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 54.92 3ihp n ASN 727 Cb 0.63 -2.92 -0.04 0.00 -1.02 0.00 0.00 39.78 36.43 3ihp n ASN 727 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ihp s SER 728 N -1.89 4.98 0.32 6.41 0.15 -0.60 -4.85 113.70 118.21 3ihp s SER 728 Ca 0.00 0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.08 3ihp s SER 728 Cb 0.00 -2.53 0.91 0.00 -1.71 0.00 0.00 66.02 62.69 3ihp s SER 728 CO 0.00 -2.64 1.66 0.17 1.20 0.00 0.00 173.24 173.63 3ihp h LEU 729 N 17.74 0.28 -0.34 3.45 8.10 -1.90 -0.56 115.31 142.08 3ihp h LEU 729 Ca -0.19 0.19 -0.19 0.00 0.11 0.00 0.00 57.88 57.80 3ihp h LEU 729 Cb 1.15 0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.57 3ihp h LEU 729 CO 1.19 -0.14 -0.67 1.05 -4.11 0.00 0.00 178.44 175.77 3ihp h GLU 730 N 0.28 0.66 -0.21 0.17 4.11 -1.98 -2.82 114.58 114.79 3ihp h GLU 730 Ca 0.65 -0.48 -0.15 0.00 0.07 0.00 0.00 59.36 59.45 3ihp h GLU 730 Cb 1.40 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3ihp h GLU 730 CO -0.63 1.10 -0.49 0.00 0.07 0.00 0.00 179.01 179.06 3ihp h ARG 731 N 0.47 0.57 -0.81 1.06 3.08 -1.66 -3.00 114.38 114.08 3ihp h ARG 731 Ca -0.02 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 3ihp h ARG 731 Cb 1.26 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 3ihp h ARG 731 CO 0.13 0.93 0.47 0.00 -1.07 0.00 0.00 179.97 180.43 3ihp h ALA 732 N 1.02 1.04 -0.24 0.04 0.00 -1.10 0.13 119.26 120.15 3ihp h ALA 732 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ihp h ALA 732 Cb 1.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ihp h ALA 732 CO 0.09 0.52 0.13 0.28 0.00 0.00 0.00 179.25 180.28 3ihp h VAL 733 N 1.12 1.02 -0.72 0.00 2.07 -1.42 -1.79 116.25 116.53 3ihp h VAL 733 Ca 0.29 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 3ihp h VAL 733 Cb -0.01 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3ihp h VAL 733 CO -0.05 0.05 0.41 0.44 0.02 0.00 0.00 177.57 178.44 3ihp h ASP 734 N 0.28 0.87 0.71 0.57 3.32 -1.29 -3.01 116.42 117.87 3ihp h ASP 734 Ca 0.09 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3ihp h ASP 734 Cb 0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3ihp h ASP 734 CO -0.05 0.69 -0.38 -0.25 -1.72 0.00 0.00 179.24 177.53 3ihp h TRP 735 N 1.00 -1.01 -0.69 4.55 7.01 -0.27 -2.34 115.95 124.19 3ihp h TRP 735 Ca 0.26 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 3ihp h TRP 735 Cb -0.01 0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 3ihp h TRP 735 CO 0.01 -0.60 0.38 0.82 -2.79 0.00 0.00 178.44 176.26 3ihp h ILE 736 N -1.01 1.21 -0.78 2.65 5.03 -1.33 0.12 117.51 123.40 3ihp h ILE 736 Ca -0.09 -0.53 -0.03 0.00 -0.12 0.00 0.00 64.86 64.08 3ihp h ILE 736 Cb 0.80 0.30 -0.04 0.00 -3.03 0.00 0.00 36.82 34.86 3ihp h ILE 736 CO 0.13 0.23 0.36 -0.26 -0.68 0.00 0.00 178.15 177.93 3ihp h PHE 737 N 0.95 1.13 0.00 1.37 -1.00 -1.59 0.32 116.94 118.12 3ihp h PHE 737 Ca 0.24 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 3ihp h PHE 737 Cb 0.04 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.24 3ihp h PHE 737 CO -0.00 0.83 -0.06 0.66 -1.61 0.00 0.00 178.31 178.12 3ihp h SER 738 N 1.12 0.00 0.00 2.17 4.64 -0.91 -3.36 113.55 117.21 3ihp h SER 738 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3ihp h SER 738 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ihp h SER 738 CO -0.03 0.06 -1.20 1.41 -0.87 0.00 0.00 176.83 176.20 3ihp n HIS 739 N -3.13 0.00 -0.21 4.77 8.25 0.37 -4.72 115.22 120.54 3ihp n HIS 739 Ca 0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3ihp n HIS 739 Cb 0.48 -0.18 0.11 0.00 1.12 0.00 0.00 29.99 31.52 3ihp n HIS 739 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3ihp h ILE 740 N 0.00 0.84 -0.53 1.59 -0.00 -0.56 0.88 117.51 119.72 3ihp h ILE 740 Ca 0.00 -0.17 0.11 0.00 -0.00 0.00 0.00 64.86 64.80 3ihp h ILE 740 Cb 0.52 0.29 -0.09 0.00 -0.00 0.00 0.00 36.82 37.54 3ihp h ILE 740 CO 0.00 0.09 -0.04 0.44 -0.00 0.00 0.00 178.15 178.64 3ihp h ASP 741 N 0.50 -0.32 0.54 2.16 3.32 -1.85 1.31 116.42 122.08 3ihp h ASP 741 Ca 0.31 0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.40 3ihp h ASP 741 Cb 0.32 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3ihp h ASP 741 CO -0.26 -0.12 -0.44 0.44 -1.72 0.00 0.00 179.24 177.14 3ihp h ASP 742 N 0.07 0.00 -0.03 6.45 5.19 -1.70 0.93 116.42 127.34 3ihp h ASP 742 Ca 0.27 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 3ihp h ASP 742 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3ihp h ASP 742 CO -0.49 0.44 -0.09 -0.07 -3.12 0.00 0.00 179.24 175.92 3ihp h LEU 743 N 0.00 0.13 -1.63 1.55 3.38 0.17 -2.42 115.31 116.48 3ihp h LEU 743 Ca -0.00 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 3ihp h LEU 743 Cb 0.83 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3ihp h LEU 743 CO 0.06 0.72 0.18 0.44 0.09 0.00 0.00 178.44 179.93 3ihp h ASP 744 N -0.46 0.37 0.92 -0.43 3.32 0.16 -1.84 116.42 118.46 3ihp h ASP 744 Ca -0.00 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3ihp h ASP 744 Cb 0.71 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3ihp h ASP 744 CO 0.02 0.30 -0.27 0.00 -1.72 0.00 0.00 179.24 177.56 3ihp h ALA 745 N 1.77 1.01 -0.08 3.45 0.00 -0.81 -2.87 119.26 121.72 3ihp h ALA 745 Ca 0.11 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3ihp h ALA 745 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ihp h ALA 745 CO -0.02 0.34 -0.69 0.93 0.00 0.00 0.00 179.25 179.81 3ihp h GLU 746 N 0.00 0.37 -0.56 0.00 5.08 -0.82 -3.25 114.58 115.39 3ihp h GLU 746 Ca -0.00 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3ihp h GLU 746 Cb 0.80 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3ihp h GLU 746 CO 0.04 0.92 0.19 0.00 -1.00 0.00 0.00 179.01 179.15 3ihp h ALA 747 N 1.01 1.28 -0.55 3.43 0.00 -1.25 -2.94 119.26 120.23 3ihp h ALA 747 Ca -0.02 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ihp h ALA 747 Cb 1.24 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3ihp h ALA 747 CO 0.12 0.52 0.33 0.00 0.00 0.00 0.00 179.25 180.22 3ihp h ALA 748 N 1.39 0.71 -1.81 0.00 0.00 -1.56 -3.40 119.26 114.60 3ihp h ALA 748 Ca 0.19 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.54 3ihp h ALA 748 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ihp h ALA 748 CO -0.01 0.05 1.44 0.00 0.00 0.00 0.00 179.25 180.73 3ihp s MET 749 N -6.14 2.92 0.00 0.00 0.00 -1.11 -5.15 119.30 109.82 3ihp s MET 749 Ca -0.13 1.53 0.19 0.00 0.00 0.00 0.00 55.69 57.28 3ihp s MET 749 Cb 0.13 -4.36 0.02 0.00 0.00 0.00 0.00 34.83 30.62 3ihp s MET 749 CO 0.75 -2.35 0.97 -0.25 0.00 0.00 0.00 175.02 174.14 3ihp n ASP 750 N 12.26 1.91 0.00 -1.18 10.43 -1.26 -5.01 116.55 133.70 3ihp n ASP 750 Ca 0.28 -1.45 0.00 0.00 2.57 0.00 0.00 54.79 56.18 3ihp n ASP 750 Cb 0.48 0.41 0.00 0.00 1.84 0.00 0.00 41.12 43.85 3ihp n ASP 750 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ihp n GLY 768 N 1.23 4.86 3.75 0.44 0.00 -1.26 -5.27 105.19 108.95 3ihp n GLY 768 Ca 0.08 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 3ihp n GLY 768 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ihp s PRO 769 N 4.84 3.22 -0.09 1.61 0.02 -1.26 -4.94 135.00 138.40 3ihp s PRO 769 Ca 0.00 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 3ihp s PRO 769 Cb 0.00 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 3ihp s PRO 769 CO 0.00 -1.13 1.30 -1.59 -0.33 0.00 0.00 177.00 175.25 3ihp s LYS 770 N -2.85 4.28 0.05 5.54 0.00 -1.26 -5.02 119.74 120.46 3ihp s LYS 770 Ca 0.70 1.77 0.02 0.00 0.00 0.00 0.00 55.97 58.46 3ihp s LYS 770 Cb -0.40 -3.68 -0.03 0.00 0.00 0.00 0.00 37.83 33.72 3ihp s LYS 770 CO 0.48 -0.61 -0.08 0.14 0.00 0.00 0.00 175.35 175.28 3ihp s VAL 771 N 2.93 0.57 -0.39 1.79 -7.23 -1.26 -4.98 120.40 111.82 3ihp s VAL 771 Ca 0.58 -1.16 -0.14 0.00 -1.81 0.00 0.00 61.98 59.46 3ihp s VAL 771 Cb -0.26 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.00 3ihp s VAL 771 CO 0.21 -0.42 0.26 -0.13 -0.31 0.00 0.00 175.10 174.71 3ihp s ARG 772 N -1.77 2.95 0.73 4.82 0.52 -1.26 -5.08 118.95 119.86 3ihp s ARG 772 Ca -0.08 -1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 54.08 3ihp s ARG 772 Cb -0.09 -3.89 0.11 0.00 0.52 0.00 0.00 34.95 31.61 3ihp s ARG 772 CO 0.00 -0.71 1.01 0.34 0.02 0.00 0.00 175.30 175.95 3ihp s ASP 773 N 1.64 4.39 0.00 0.23 2.15 -1.26 -4.44 116.67 119.38 3ihp s ASP 773 Ca 0.04 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.91 3ihp s ASP 773 Cb -0.19 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.10 3ihp s ASP 773 CO 0.09 -1.83 0.00 0.61 -0.17 0.00 0.00 175.17 173.86 3ihp n GLY 774 N -2.90 -0.31 3.76 2.66 0.00 -1.23 -4.95 105.19 102.24 3ihp n GLY 774 Ca 0.13 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 3ihp n GLY 774 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ihp s PRO 775 N -2.00 3.12 -0.40 1.61 0.04 -1.26 -4.31 135.00 131.80 3ihp s PRO 775 Ca 0.00 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 3ihp s PRO 775 Cb 0.00 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.64 3ihp s PRO 775 CO 0.00 -1.05 2.69 0.41 0.04 0.00 0.00 177.00 179.08 3ihp n GLY 776 N 0.24 4.21 3.55 0.56 0.00 -1.26 -4.87 105.19 107.61 3ihp n GLY 776 Ca 0.12 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 3ihp n GLY 776 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihp s LYS 777 N -1.54 3.84 0.23 1.61 -0.14 -1.26 -1.02 119.74 121.46 3ihp s LYS 777 Ca 0.54 -0.39 0.12 0.00 -1.36 0.00 0.00 55.97 54.88 3ihp s LYS 777 Cb 0.35 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.09 3ihp s LYS 777 CO -0.16 -0.03 -0.22 0.71 -0.76 0.00 0.00 175.35 174.89 3ihp s TYR 778 N 1.22 2.30 -0.03 3.18 1.51 0.30 -1.26 117.35 124.56 3ihp s TYR 778 Ca 0.05 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 55.84 3ihp s TYR 778 Cb -0.14 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 3ihp s TYR 778 CO 0.04 0.60 -0.26 -0.65 -1.11 0.00 0.00 175.55 174.18 3ihp s GLN 779 N -3.07 2.23 0.04 -0.62 -0.21 0.07 -1.32 119.66 116.79 3ihp s GLN 779 Ca 0.25 -0.92 -0.30 0.00 0.02 0.00 0.00 55.36 54.41 3ihp s GLN 779 Cb -0.07 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.79 3ihp s GLN 779 CO 0.12 0.52 1.72 -1.17 -2.12 0.00 0.00 175.29 174.36 3ihp s LEU 780 N -0.50 4.37 -0.19 2.90 2.96 -0.06 -0.69 118.68 127.47 3ihp s LEU 780 Ca 0.07 2.49 -0.06 0.00 -0.22 0.00 0.00 54.13 56.41 3ihp s LEU 780 Cb -0.11 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.93 3ihp s LEU 780 CO 0.00 -0.94 -0.21 0.33 -1.32 0.00 0.00 176.35 174.21 3ihp n PHE 781 N 6.28 0.00 -3.53 5.38 7.35 -0.16 -4.86 117.46 127.92 3ihp n PHE 781 Ca 0.17 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.74 3ihp n PHE 781 Cb 0.41 -0.69 -0.04 0.00 0.35 0.00 0.00 39.48 39.51 3ihp n PHE 781 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ihp s ALA 782 N -2.35 -1.30 0.01 3.13 0.00 -0.92 -1.01 121.76 119.31 3ihp s ALA 782 Ca -0.26 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 3ihp s ALA 782 Cb 0.09 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.94 3ihp s ALA 782 CO 0.37 -0.67 0.34 -0.59 0.00 0.00 0.00 175.76 175.21 3ihp s PHE 783 N -3.49 -0.19 -0.16 0.00 -0.12 -0.22 0.43 117.98 114.24 3ihp s PHE 783 Ca 0.00 0.22 -0.01 0.00 -0.05 0.00 0.00 56.93 57.09 3ihp s PHE 783 Cb 0.00 0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 3ihp s PHE 783 CO -0.10 -0.45 -0.13 0.42 -0.05 0.00 0.00 175.22 174.91 3ihp s ILE 784 N -1.81 2.93 -0.15 -4.49 1.01 0.17 -0.78 121.20 118.09 3ihp s ILE 784 Ca -0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3ihp s ILE 784 Cb -0.03 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3ihp s ILE 784 CO 0.02 0.50 -0.07 -0.44 0.00 0.00 0.00 174.94 174.95 3ihp s SER 785 N 0.75 4.53 -0.33 3.58 0.01 -0.69 0.03 113.70 121.58 3ihp s SER 785 Ca -0.05 -0.20 -0.19 0.00 1.31 0.00 0.00 55.95 56.82 3ihp s SER 785 Cb -0.15 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 3ihp s SER 785 CO 0.01 0.17 0.57 -2.28 0.41 0.00 0.00 173.24 172.13 3ihp s HIS 786 N 0.34 3.19 -0.23 2.43 2.46 -1.26 -2.24 115.29 119.98 3ihp s HIS 786 Ca -0.06 0.36 -0.12 0.00 0.47 0.00 0.00 55.06 55.71 3ihp s HIS 786 Cb -0.15 -2.98 -0.05 0.00 -0.13 0.00 0.00 32.58 29.27 3ihp s HIS 786 CO 0.04 -0.52 0.23 -1.64 -2.47 0.00 0.00 174.74 170.37 3ihp s MET 787 N 2.53 4.09 0.00 2.88 -1.94 0.13 -4.92 119.30 122.08 3ihp s MET 787 Ca 0.22 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.06 3ihp s MET 787 Cb -0.15 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.15 3ihp s MET 787 CO 0.13 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.57 3ihp n GLY 788 N 4.22 1.37 0.22 -0.03 0.00 -1.26 -1.07 105.19 108.63 3ihp n GLY 788 Ca -0.13 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.16 3ihp n GLY 788 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ihp n THR 789 N -1.82 0.00 -3.93 2.61 -2.24 -1.26 -5.00 114.28 102.64 3ihp n THR 789 Ca 0.00 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.04 3ihp n THR 789 Cb 0.00 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 3ihp n THR 789 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ihp s SER 790 N -1.26 6.27 0.34 3.42 0.15 -1.26 -4.50 113.70 116.86 3ihp s SER 790 Ca 0.08 0.32 0.10 0.00 0.70 0.00 0.00 55.95 57.15 3ihp s SER 790 Cb 0.07 -1.95 0.62 0.00 -1.71 0.00 0.00 66.02 63.06 3ihp s SER 790 CO 0.23 0.27 1.79 0.74 1.20 0.00 0.00 173.24 177.46 3ihp h THR 791 N 2.92 1.28 -0.00 6.45 2.02 -1.94 -3.34 112.91 120.29 3ihp h THR 791 Ca -0.49 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.36 3ihp h THR 791 Cb 1.19 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3ihp h THR 791 CO 0.68 0.39 -0.88 0.23 0.37 0.00 0.00 175.52 176.31 3ihp n MET 792 N -4.08 0.04 -3.83 6.66 0.00 -1.26 -4.95 117.12 109.70 3ihp n MET 792 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 57.70 57.60 3ihp n MET 792 Cb 0.42 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.15 3ihp n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ihp n GLY 794 N -0.57 -0.37 3.16 0.00 0.00 -1.26 -4.13 105.19 102.02 3ihp n GLY 794 Ca -0.05 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 3ihp n GLY 794 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ihp s HIS 795 N -2.80 1.50 -0.24 1.61 5.65 -0.24 -4.93 115.29 115.85 3ihp s HIS 795 Ca 0.00 -0.30 -0.06 0.00 0.25 0.00 0.00 55.06 54.95 3ihp s HIS 795 Cb 0.00 -0.95 -0.02 0.00 -1.18 0.00 0.00 32.58 30.43 3ihp s HIS 795 CO 0.00 -0.01 0.03 0.71 -0.65 0.00 0.00 174.74 174.82 3ihp s TYR 796 N -0.48 3.04 0.40 3.88 1.51 -1.26 0.20 117.35 124.64 3ihp s TYR 796 Ca 0.06 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.60 3ihp s TYR 796 Cb -0.07 -2.18 -0.06 0.00 -0.11 0.00 0.00 41.96 39.54 3ihp s TYR 796 CO -0.00 -0.41 0.10 0.14 -1.11 0.00 0.00 175.55 174.27 3ihp s VAL 797 N 1.52 2.27 0.10 0.71 -7.23 -0.95 -4.70 120.40 112.11 3ihp s VAL 797 Ca 0.06 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 3ihp s VAL 797 Cb -0.15 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 3ihp s VAL 797 CO 0.01 -0.03 -0.10 0.00 -0.31 0.00 0.00 175.10 174.67 3ihp s HIS 799 N -2.46 1.66 0.02 0.00 3.76 0.04 -1.28 115.29 117.02 3ihp s HIS 799 Ca 0.05 -0.81 0.08 0.00 -0.15 0.00 0.00 55.06 54.23 3ihp s HIS 799 Cb -0.03 -1.29 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 3ihp s HIS 799 CO -0.00 -0.49 -0.23 0.42 -0.85 0.00 0.00 174.74 173.59 3ihp s ILE 800 N 1.37 1.84 -0.30 0.60 1.01 0.19 -1.05 121.20 124.86 3ihp s ILE 800 Ca -0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.31 3ihp s ILE 800 Cb -0.14 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3ihp s ILE 800 CO -0.05 0.39 0.59 -0.75 0.00 0.00 0.00 174.94 175.12 3ihp s LYS 801 N -0.89 3.92 -0.05 2.79 2.20 -0.18 0.23 119.74 127.76 3ihp s LYS 801 Ca 0.09 0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.99 3ihp s LYS 801 Cb -0.09 -3.72 0.01 0.00 -1.51 0.00 0.00 37.83 32.52 3ihp s LYS 801 CO 0.01 -0.53 -0.10 0.15 -0.36 0.00 0.00 175.35 174.52 3ihp s LYS 802 N 2.52 1.33 -1.60 4.03 1.02 0.83 -4.79 119.74 123.08 3ihp s LYS 802 Ca 0.24 -0.33 -0.15 0.00 0.02 0.00 0.00 55.97 55.75 3ihp s LYS 802 Cb -0.15 -1.16 0.11 0.00 -0.52 0.00 0.00 37.83 36.11 3ihp s LYS 802 CO 0.11 0.04 0.85 0.39 -0.92 0.00 0.00 175.35 175.82 3ihp n GLU 803 N 3.69 -4.27 -0.91 1.68 1.02 -1.26 -1.76 120.64 118.83 3ihp n GLU 803 Ca -0.22 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3ihp n GLU 803 Cb 0.52 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 3ihp n GLU 803 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ihp n GLY 804 N -1.57 0.71 3.00 0.62 0.00 -1.26 -5.02 105.19 101.67 3ihp n GLY 804 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3ihp n GLY 804 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ihp s ARG 805 N -0.09 0.37 0.15 1.61 3.52 -0.72 -5.13 118.95 118.65 3ihp s ARG 805 Ca 0.00 -0.64 -0.20 0.00 -0.13 0.00 0.00 55.73 54.76 3ihp s ARG 805 Cb 0.00 -0.01 -0.07 0.00 -1.56 0.00 0.00 34.95 33.30 3ihp s ARG 805 CO 0.00 -0.02 0.65 -1.58 -0.81 0.00 0.00 175.30 173.54 3ihp s TRP 806 N -1.41 3.74 -0.02 5.12 0.52 -1.26 -0.12 118.94 125.51 3ihp s TRP 806 Ca -0.14 1.34 0.04 0.00 0.02 0.00 0.00 56.10 57.36 3ihp s TRP 806 Cb -0.10 -2.56 -0.00 0.00 -1.15 0.00 0.00 33.47 29.66 3ihp s TRP 806 CO -0.01 0.47 -0.13 0.08 0.02 0.00 0.00 176.95 177.38 3ihp s VAL 807 N -1.31 1.10 -0.22 4.03 1.01 0.14 -1.09 120.40 124.05 3ihp s VAL 807 Ca 0.36 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 3ihp s VAL 807 Cb -0.18 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3ihp s VAL 807 CO 0.21 0.32 0.15 -0.51 0.00 0.00 0.00 175.10 175.27 3ihp s ILE 808 N -0.07 5.38 -0.30 2.22 2.07 -0.51 -0.63 121.20 129.36 3ihp s ILE 808 Ca 0.00 0.19 -0.07 0.00 -1.41 0.00 0.00 60.65 59.36 3ihp s ILE 808 Cb -0.08 -3.49 0.01 0.00 0.13 0.00 0.00 42.46 39.03 3ihp s ILE 808 CO 0.00 0.39 0.08 -0.31 -1.91 0.00 0.00 174.94 173.19 3ihp s TYR 809 N 0.75 3.15 -0.44 3.50 1.51 -0.41 -2.10 117.35 123.33 3ihp s TYR 809 Ca 0.08 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.17 3ihp s TYR 809 Cb -0.12 -2.26 0.13 0.00 -0.11 0.00 0.00 41.96 39.60 3ihp s TYR 809 CO 0.02 -0.58 0.22 1.21 -1.11 0.00 0.00 175.55 175.31 3ihp s ASN 810 N 1.50 3.84 0.68 2.29 3.84 -0.02 -2.39 114.94 124.68 3ihp s ASN 810 Ca 0.02 -2.59 0.00 0.00 0.21 0.00 0.00 52.86 50.50 3ihp s ASN 810 Cb -0.17 -1.15 0.00 0.00 -0.55 0.00 0.00 41.25 39.38 3ihp s ASN 810 CO 0.03 -0.28 0.00 0.47 -2.79 0.00 0.00 177.10 174.53 3ihp n ASP 811 N 3.61 0.00 0.26 -4.21 8.00 -1.26 -1.08 116.55 121.86 3ihp n ASP 811 Ca 0.07 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.71 3ihp n ASP 811 Cb 0.35 0.00 0.67 0.00 -0.02 0.00 0.00 41.12 42.12 3ihp n ASP 811 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3ihp h GLN 812 N 0.00 0.00 -5.55 -1.24 7.50 -1.79 -1.42 115.11 112.62 3ihp h GLN 812 Ca 0.00 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.56 3ihp h GLN 812 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.43 3ihp h GLN 812 CO 0.00 0.12 -0.18 0.15 -1.50 0.00 0.00 178.83 177.42 3ihp s LYS 813 N -3.89 4.24 -0.28 1.46 1.02 -0.24 -4.12 119.74 117.92 3ihp s LYS 813 Ca -0.01 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.27 3ihp s LYS 813 Cb 0.11 -3.49 0.09 0.00 -0.52 0.00 0.00 37.83 34.02 3ihp s LYS 813 CO 0.58 0.05 0.05 0.08 -0.92 0.00 0.00 175.35 175.18 3ihp s VAL 814 N 1.01 1.23 0.20 3.17 1.01 -1.26 -0.84 120.40 124.93 3ihp s VAL 814 Ca 0.21 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.85 3ihp s VAL 814 Cb -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3ihp s VAL 814 CO 0.08 -0.48 -0.16 0.00 0.00 0.00 0.00 175.10 174.54 3ihp s ALA 816 N -2.66 3.46 0.15 0.00 0.00 -0.43 -1.42 121.76 120.86 3ihp s ALA 816 Ca 0.21 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 3ihp s ALA 816 Cb -0.03 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 3ihp s ALA 816 CO 0.07 -1.57 0.91 0.45 0.00 0.00 0.00 175.76 175.62 3ihp s SER 817 N 2.67 7.50 0.00 0.00 0.15 -0.25 -4.45 113.70 119.32 3ihp s SER 817 Ca 0.58 1.79 0.00 0.00 0.70 0.00 0.00 55.95 59.01 3ihp s SER 817 Cb -0.20 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3ihp s SER 817 CO 0.21 0.04 0.00 -0.62 1.20 0.00 0.00 173.24 174.07 3ihp n GLU 818 N 2.28 0.00 -3.09 5.44 -0.58 -1.26 -4.38 120.64 119.06 3ihp n GLU 818 Ca -0.00 0.03 -0.45 0.00 -0.42 0.00 0.00 57.16 56.31 3ihp n GLU 818 Cb 0.49 -0.40 -0.02 0.00 -0.57 0.00 0.00 31.44 30.94 3ihp n GLU 818 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ihp s LYS 819 N -0.73 3.74 0.20 3.49 -0.14 -1.26 -4.99 119.74 120.04 3ihp s LYS 819 Ca 0.00 -2.23 -0.30 0.00 -1.36 0.00 0.00 55.97 52.08 3ihp s LYS 819 Cb 0.00 -4.76 -0.08 0.00 -1.68 0.00 0.00 37.83 31.31 3ihp s LYS 819 CO 0.00 -1.58 1.04 -1.25 -0.76 0.00 0.00 175.35 172.79 3ihp s PRO 820 N 1.40 4.68 -1.13 -1.68 0.04 -1.26 -4.92 135.00 132.12 3ihp s PRO 820 Ca 0.30 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 3ihp s PRO 820 Cb -0.06 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 3ihp s PRO 820 CO -0.08 0.23 2.28 -2.30 0.04 0.00 0.00 177.00 177.17 3ihp n PRO 821 N 2.06 2.45 0.20 0.56 -0.02 -1.26 -4.70 135.00 134.28 3ihp n PRO 821 Ca 0.01 -1.90 0.14 0.00 -2.02 0.00 0.00 63.50 59.72 3ihp n PRO 821 Cb 0.47 -2.78 0.73 0.00 -0.02 0.00 0.00 33.50 31.90 3ihp n PRO 821 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ihp h LYS 822 N 6.33 0.00 -0.02 -0.52 1.57 -1.94 -1.95 116.57 120.04 3ihp h LYS 822 Ca 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 3ihp h LYS 822 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3ihp h LYS 822 CO 1.72 0.00 -0.30 -0.40 -0.57 0.00 0.00 179.45 179.90 3ihp n ASP 823 N -2.44 2.29 -0.24 0.86 5.75 -1.26 -3.55 116.55 117.96 3ihp n ASP 823 Ca -0.02 -1.64 0.03 0.00 -0.01 0.00 0.00 54.79 53.14 3ihp n ASP 823 Cb 0.05 0.31 0.04 0.00 -1.03 0.00 0.00 41.12 40.49 3ihp n ASP 823 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3ihp n LEU 824 N 0.42 1.86 -4.83 -2.12 4.32 -0.73 -1.36 117.00 114.56 3ihp n LEU 824 Ca 0.10 -1.45 -0.30 0.00 -0.02 0.00 0.00 56.01 54.35 3ihp n LEU 824 Cb 0.49 -0.05 0.17 0.00 -1.62 0.00 0.00 43.42 42.42 3ihp n LEU 824 CO 0.23 0.44 0.78 -0.83 -1.22 0.00 0.00 177.39 176.78 3ihp s GLY 825 N -0.68 1.67 0.00 -0.72 0.00 -1.24 -4.64 107.32 101.72 3ihp s GLY 825 Ca 0.08 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3ihp s GLY 825 CO 0.07 -0.22 0.00 2.98 0.00 0.00 0.00 173.10 175.93 3ihp n TYR 826 N -3.92 0.00 -4.07 1.90 9.36 0.10 -4.90 117.16 115.65 3ihp n TYR 826 Ca 0.12 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.02 3ihp n TYR 826 Cb 0.60 0.05 -0.16 0.00 -0.63 0.00 0.00 39.34 39.19 3ihp n TYR 826 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3ihp s ILE 827 N -1.99 1.83 0.05 2.97 1.01 -0.55 -0.81 121.20 123.71 3ihp s ILE 827 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3ihp s ILE 827 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3ihp s ILE 827 CO 0.00 0.44 0.08 -0.31 0.00 0.00 0.00 174.94 175.15 3ihp s TYR 828 N 1.37 3.22 -0.25 3.97 1.51 0.69 0.43 117.35 128.30 3ihp s TYR 828 Ca 0.04 0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.24 3ihp s TYR 828 Cb -0.14 -1.67 0.06 0.00 -0.11 0.00 0.00 41.96 40.11 3ihp s TYR 828 CO -0.11 0.53 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.74 3ihp s PHE 829 N -1.30 2.67 -0.22 2.71 0.40 0.17 -0.91 117.98 121.49 3ihp s PHE 829 Ca 0.27 -1.97 -0.12 0.00 -0.60 0.00 0.00 56.93 54.50 3ihp s PHE 829 Cb -0.12 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 3ihp s PHE 829 CO 0.19 -0.81 0.24 0.71 0.70 0.00 0.00 175.22 176.24 3ihp s TYR 830 N 1.30 3.35 -0.23 0.36 1.51 0.63 -0.98 117.35 123.30 3ihp s TYR 830 Ca -0.05 0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 56.20 3ihp s TYR 830 Cb -0.19 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 3ihp s TYR 830 CO -0.07 0.07 0.52 -1.14 -1.11 0.00 0.00 175.55 173.83 3ihp s GLN 831 N 1.05 4.14 0.11 -0.62 0.74 0.13 0.19 119.66 125.40 3ihp s GLN 831 Ca 0.12 0.38 -0.31 0.00 0.05 0.00 0.00 55.36 55.60 3ihp s GLN 831 Cb -0.14 -3.60 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 3ihp s GLN 831 CO 0.05 -0.24 1.62 0.50 -0.55 0.00 0.00 175.29 176.67 3ihp s ARG 832 N 1.94 4.21 0.17 1.67 3.52 -0.03 -0.75 118.95 129.67 3ihp s ARG 832 Ca 0.23 2.34 -0.14 0.00 -0.13 0.00 0.00 55.73 58.03 3ihp s ARG 832 Cb -0.15 -3.41 0.10 0.00 -1.56 0.00 0.00 34.95 29.93 3ihp s ARG 832 CO 0.09 -0.68 1.79 -0.24 -0.81 0.00 0.00 175.30 175.46 3ihp h VAL 833 N 4.47 0.99 0.00 7.11 3.04 -1.50 -1.86 116.25 128.50 3ihp h VAL 833 Ca -0.43 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3ihp h VAL 833 Cb 1.20 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3ihp h VAL 833 CO 0.92 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 177.57 3ihp n ALA 834 N -2.30 1.95 -1.15 3.17 0.00 -1.26 -5.09 120.51 115.82 3ihp n ALA 834 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ihp n ALA 834 Cb 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3ihp n ALA 834 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37