#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ip3 s LEU 2 N 0.00 1.73 -0.24 2.46 1.43 0.23 -5.01 118.68 119.28 3ip3 s LEU 2 Ca 0.00 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 3ip3 s LEU 2 Cb 0.00 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 3ip3 s LEU 2 CO 0.00 0.06 0.15 -0.75 0.23 0.00 0.00 176.35 176.05 3ip3 s LYS 3 N 0.50 4.02 -0.15 1.70 2.20 -1.26 -2.47 119.74 124.28 3ip3 s LYS 3 Ca -0.12 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3ip3 s LYS 3 Cb -0.15 -3.52 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3ip3 s LYS 3 CO 0.04 0.03 -0.17 0.42 -0.36 0.00 0.00 175.35 175.30 3ip3 s ILE 4 N 1.14 2.55 -0.07 5.43 1.01 -0.62 -1.30 121.20 129.35 3ip3 s ILE 4 Ca 0.07 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3ip3 s ILE 4 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 3ip3 s ILE 4 CO 0.05 0.52 -0.07 0.00 0.00 0.00 0.00 174.94 175.45 3ip3 s VAL 6 N -0.77 4.14 -0.27 0.00 1.01 -0.65 -0.31 120.40 123.54 3ip3 s VAL 6 Ca 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3ip3 s VAL 6 Cb -0.11 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 3ip3 s VAL 6 CO 0.01 0.41 0.06 -0.63 0.00 0.00 0.00 175.10 174.96 3ip3 s ILE 7 N 1.06 4.01 0.00 2.22 1.01 0.28 -1.65 121.20 128.13 3ip3 s ILE 7 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3ip3 s ILE 7 Cb -0.14 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3ip3 s ILE 7 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.77 3ip3 n GLY 8 N 4.88 1.22 1.02 6.18 0.00 -0.52 -0.58 105.19 117.39 3ip3 n GLY 8 Ca -0.15 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.15 3ip3 n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ip3 n SER 9 N -0.38 1.56 -0.62 1.61 2.88 -1.09 -4.66 113.62 112.93 3ip3 n SER 9 Ca 0.00 -3.17 0.06 0.00 -1.33 0.00 0.00 58.87 54.43 3ip3 n SER 9 Cb 0.00 -0.44 0.13 0.00 -0.75 0.00 0.00 64.21 63.15 3ip3 n SER 9 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ip3 n SER 10 N -0.51 2.68 0.00 -3.46 7.64 0.10 -4.79 113.62 115.28 3ip3 n SER 10 Ca 0.15 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.18 3ip3 n SER 10 Cb 0.87 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 3ip3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ip3 n GLY 11 N 0.60 5.66 3.00 0.23 0.00 -1.20 -4.83 105.19 108.65 3ip3 n GLY 11 Ca 0.11 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 3ip3 n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ip3 n HIS 12 N 0.00 2.81 -0.01 1.61 8.25 -1.26 -4.76 115.22 121.86 3ip3 n HIS 12 Ca 0.00 -2.77 -0.04 0.00 -0.26 0.00 0.00 57.72 54.65 3ip3 n HIS 12 Cb 0.00 -1.58 0.18 0.00 1.12 0.00 0.00 29.99 29.72 3ip3 n HIS 12 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ip3 h PHE 13 N 5.70 0.62 -0.66 4.41 -5.15 -1.95 -3.06 116.94 116.85 3ip3 h PHE 13 Ca 0.27 -0.13 0.19 0.00 -0.20 0.00 0.00 57.97 58.11 3ip3 h PHE 13 Cb 0.65 -0.15 -0.03 0.00 0.22 0.00 0.00 35.95 36.64 3ip3 h PHE 13 CO 1.09 0.73 0.61 0.00 -2.00 0.00 0.00 178.31 178.74 3ip3 h ARG 14 N 0.50 0.00 -0.64 6.09 3.08 -1.99 0.47 114.38 121.89 3ip3 h ARG 14 Ca 0.08 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.23 3ip3 h ARG 14 Cb 0.64 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.61 3ip3 h ARG 14 CO 0.05 0.00 0.23 1.88 -1.07 0.00 0.00 179.97 181.06 3ip3 h TYR 15 N 0.00 0.40 -0.13 3.04 0.05 -1.95 -1.28 116.97 117.10 3ip3 h TYR 15 Ca 0.31 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 59.05 3ip3 h TYR 15 Cb 1.53 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 39.19 3ip3 h TYR 15 CO 0.00 0.08 -0.22 0.00 -1.05 0.00 0.00 178.16 176.97 3ip3 h ALA 16 N 1.45 0.21 -0.98 3.88 0.00 -0.27 -3.20 119.26 120.35 3ip3 h ALA 16 Ca 0.33 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ip3 h ALA 16 Cb 0.44 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3ip3 h ALA 16 CO -0.34 0.17 0.64 -0.07 0.00 0.00 0.00 179.25 179.65 3ip3 h LEU 17 N -0.01 1.05 -0.69 0.00 3.38 -1.25 -1.61 115.31 116.18 3ip3 h LEU 17 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ip3 h LEU 17 Cb 0.80 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ip3 h LEU 17 CO 0.05 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 178.67 3ip3 n GLU 18 N -4.48 1.47 -0.14 1.13 1.02 -0.50 -3.11 120.64 116.02 3ip3 n GLU 18 Ca 0.14 -0.69 0.09 0.00 -0.02 0.00 0.00 57.16 56.68 3ip3 n GLU 18 Cb 0.12 -1.43 0.16 0.00 -0.02 0.00 0.00 31.44 30.26 3ip3 n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ip3 n GLY 19 N 1.08 1.48 3.73 0.62 0.00 -0.62 -4.94 105.19 106.54 3ip3 n GLY 19 Ca 0.18 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3ip3 n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ip3 s LEU 20 N -1.23 4.41 0.00 0.99 1.43 -1.14 -4.15 118.68 118.99 3ip3 s LEU 20 Ca 0.28 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3ip3 s LEU 20 Cb 0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3ip3 s LEU 20 CO 0.23 -0.47 0.00 -0.90 0.23 0.00 0.00 176.35 175.45 3ip3 n ASP 21 N 3.08 0.23 0.03 2.29 5.68 -1.26 -5.05 116.55 121.54 3ip3 n ASP 21 Ca 0.07 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.22 3ip3 n ASP 21 Cb 0.44 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.28 3ip3 n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ip3 h GLU 22 N 0.00 0.15 -0.57 0.11 3.07 -2.03 -3.32 114.58 112.00 3ip3 h GLU 22 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3ip3 h GLU 22 Cb 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3ip3 h GLU 22 CO 0.00 0.93 0.00 0.39 -1.40 0.00 0.00 179.01 178.93 3ip3 n GLU 23 N -3.32 0.80 -4.56 2.33 -0.58 -1.26 -4.77 120.64 109.28 3ip3 n GLU 23 Ca -0.17 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.36 3ip3 n GLU 23 Cb 1.03 -1.28 -0.15 0.00 -0.57 0.00 0.00 31.44 30.47 3ip3 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ip3 s SER 25 N -0.31 -0.42 -0.45 0.00 1.04 -1.03 -4.82 113.70 107.70 3ip3 s SER 25 Ca 0.05 0.62 -0.26 0.00 0.48 0.00 0.00 55.95 56.84 3ip3 s SER 25 Cb -0.05 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.77 3ip3 s SER 25 CO -0.00 -0.34 0.97 -0.63 0.98 0.00 0.00 173.24 174.22 3ip3 s ILE 26 N -0.53 4.43 -0.14 -1.02 1.01 -1.26 -1.58 121.20 122.10 3ip3 s ILE 26 Ca -0.06 0.90 0.19 0.00 0.00 0.00 0.00 60.65 61.67 3ip3 s ILE 26 Cb -0.03 -4.46 -0.17 0.00 0.01 0.00 0.00 42.46 37.81 3ip3 s ILE 26 CO 0.04 -0.84 0.70 0.35 0.00 0.00 0.00 174.94 175.18 3ip3 n THR 27 N 6.47 0.86 -3.64 2.92 -2.24 -0.93 -4.22 114.28 113.48 3ip3 n THR 27 Ca 0.08 -0.65 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 3ip3 n THR 27 Cb 0.49 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 3ip3 n THR 27 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ip3 s GLY 28 N -4.74 -0.51 -0.05 3.38 0.00 -1.26 -1.06 107.32 103.08 3ip3 s GLY 28 Ca -0.04 1.92 0.03 0.00 0.00 0.00 0.00 44.72 46.63 3ip3 s GLY 28 CO 0.83 1.67 -0.14 -0.26 0.00 0.00 0.00 173.10 175.20 3ip3 s ILE 29 N 0.41 1.23 0.02 0.90 -4.36 -1.00 -1.64 121.20 116.77 3ip3 s ILE 29 Ca -0.00 -0.58 0.02 0.00 -0.26 0.00 0.00 60.65 59.82 3ip3 s ILE 29 Cb -0.05 -1.08 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 3ip3 s ILE 29 CO 0.00 0.37 -0.06 0.00 0.24 0.00 0.00 174.94 175.49 3ip3 s ALA 30 N 0.26 0.45 0.84 2.27 0.00 -0.66 -0.23 121.76 124.70 3ip3 s ALA 30 Ca -0.07 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 3ip3 s ALA 30 Cb -0.12 0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.10 3ip3 s ALA 30 CO 0.02 -0.00 1.09 -1.25 0.00 0.00 0.00 175.76 175.62 3ip3 s PRO 31 N -1.08 1.74 -0.01 0.00 0.04 -1.26 -1.44 135.00 132.98 3ip3 s PRO 31 Ca -0.07 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 3ip3 s PRO 31 Cb -0.07 -1.85 -0.27 0.00 0.04 0.00 0.00 34.50 32.35 3ip3 s PRO 31 CO 0.00 -1.95 0.79 0.78 0.04 0.00 0.00 177.00 176.66 3ip3 h GLY 32 N -1.34 0.24 -4.38 0.56 0.00 -1.93 -3.41 103.07 92.81 3ip3 h GLY 32 Ca -0.47 -0.61 -0.35 0.00 0.00 0.00 0.00 47.33 45.90 3ip3 h GLY 32 CO 0.53 0.54 -0.75 -1.34 0.00 0.00 0.00 176.54 175.52 3ip3 s VAL 33 N -2.61 0.90 0.00 4.60 -7.23 -1.26 -4.99 120.40 109.81 3ip3 s VAL 33 Ca -0.10 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3ip3 s VAL 33 Cb 0.07 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.01 3ip3 s VAL 33 CO 0.84 -0.35 0.26 -2.65 -0.31 0.00 0.00 175.10 172.89 3ip3 n PRO 34 N 1.17 0.00 0.00 4.82 -0.02 -1.26 -1.79 135.00 137.92 3ip3 n PRO 34 Ca -0.20 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 3ip3 n PRO 34 Cb 0.55 -0.39 0.55 0.00 -0.02 0.00 0.00 33.50 34.19 3ip3 n PRO 34 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ip3 n GLU 35 N -2.19 0.87 -1.67 -0.52 0.00 -1.26 -4.90 120.64 110.97 3ip3 n GLU 35 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.71 3ip3 n GLU 35 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 31.44 30.07 3ip3 n GLU 35 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3ip3 n GLU 36 N -0.83 2.59 -1.72 3.44 2.13 -0.74 -4.93 120.64 120.58 3ip3 n GLU 36 Ca 0.14 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.49 3ip3 n GLU 36 Cb 0.06 -2.85 -0.03 0.00 0.27 0.00 0.00 31.44 28.89 3ip3 n GLU 36 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3ip3 s ASP 37 N 4.03 6.40 0.00 4.31 -1.08 -1.26 -4.89 116.67 124.18 3ip3 s ASP 37 Ca 0.89 2.81 0.00 0.00 -0.52 0.00 0.00 52.55 55.73 3ip3 s ASP 37 Cb -0.54 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.34 3ip3 s ASP 37 CO 0.45 -0.99 0.43 0.18 0.52 0.00 0.00 175.17 175.76 3ip3 n LEU 38 N 4.94 0.86 0.05 -1.34 4.77 -1.26 -4.35 117.00 120.67 3ip3 n LEU 38 Ca 0.17 -0.90 0.19 0.00 -0.03 0.00 0.00 56.01 55.44 3ip3 n LEU 38 Cb 0.37 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.16 3ip3 n LEU 38 CO 0.65 0.21 1.17 0.77 -1.33 0.00 0.00 177.39 178.86 3ip3 h SER 39 N 0.00 0.00 -0.24 -1.43 4.64 -1.95 -1.07 113.55 113.50 3ip3 h SER 39 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3ip3 h SER 39 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3ip3 h SER 39 CO 0.00 0.00 -0.54 0.11 -0.87 0.00 0.00 176.83 175.53 3ip3 h LYS 40 N 0.00 0.79 0.00 4.77 1.57 -1.90 -0.60 116.57 121.21 3ip3 h LYS 40 Ca 0.21 -0.53 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 3ip3 h LYS 40 Cb 0.88 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3ip3 h LYS 40 CO -0.00 1.15 -0.29 1.25 -0.57 0.00 0.00 179.45 180.99 3ip3 h LEU 41 N 0.53 0.00 0.21 2.94 5.85 -1.57 -2.91 115.31 120.36 3ip3 h LEU 41 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 3ip3 h LEU 41 Cb 1.15 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.20 3ip3 h LEU 41 CO 0.12 0.29 -1.61 -0.33 -0.34 0.00 0.00 178.44 176.57 3ip3 h GLU 42 N 0.00 0.44 -0.97 1.25 5.08 -1.03 -1.83 114.58 117.52 3ip3 h GLU 42 Ca -0.00 -0.75 0.10 0.00 -1.00 0.00 0.00 59.36 57.70 3ip3 h GLU 42 Cb 0.77 0.28 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 3ip3 h GLU 42 CO 0.04 1.35 0.61 0.87 -1.00 0.00 0.00 179.01 180.88 3ip3 h LYS 43 N 0.12 1.00 -0.21 2.33 1.57 -1.17 -3.09 116.57 117.12 3ip3 h LYS 43 Ca -0.29 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.23 3ip3 h LYS 43 Cb 2.12 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 34.21 3ip3 h LYS 43 CO 0.22 0.66 -0.65 0.00 -0.57 0.00 0.00 179.45 179.12 3ip3 h ALA 44 N 1.49 0.36 -0.19 3.86 0.00 -1.42 -2.47 119.26 120.89 3ip3 h ALA 44 Ca 0.46 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3ip3 h ALA 44 Cb 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ip3 h ALA 44 CO -0.23 0.64 -0.57 -0.84 0.00 0.00 0.00 179.25 178.26 3ip3 h ILE 45 N 0.55 1.32 -0.10 0.00 3.07 -1.36 -3.23 117.51 117.76 3ip3 h ILE 45 Ca -0.02 -1.82 -0.18 0.00 1.55 0.00 0.00 64.86 64.39 3ip3 h ILE 45 Cb 1.27 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 39.60 3ip3 h ILE 45 CO 0.14 0.57 -0.70 0.77 -1.05 0.00 0.00 178.15 177.88 3ip3 h SER 46 N 0.45 0.51 0.00 2.16 4.64 -1.57 -1.29 113.55 118.44 3ip3 h SER 46 Ca 0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3ip3 h SER 46 Cb 1.12 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3ip3 h SER 46 CO 0.11 1.05 0.00 -0.62 -0.87 0.00 0.00 176.83 176.50 3ip3 n GLU 47 N -3.86 0.17 -2.67 4.77 1.02 -0.93 -4.58 120.64 114.55 3ip3 n GLU 47 Ca -0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.08 3ip3 n GLU 47 Cb 0.69 -1.42 0.13 0.00 -0.02 0.00 0.00 31.44 30.82 3ip3 n GLU 47 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3ip3 n ASN 49 N 0.99 -1.35 -4.66 1.62 5.15 -1.05 -5.11 115.26 110.85 3ip3 n ASN 49 Ca 0.00 -2.21 -0.35 0.00 -0.60 0.00 0.00 54.58 51.42 3ip3 n ASN 49 Cb 0.08 0.64 -0.09 0.00 -0.53 0.00 0.00 39.78 39.88 3ip3 n ASN 49 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3ip3 s ILE 50 N -0.03 4.55 -0.30 -1.44 2.07 -0.51 -5.10 121.20 120.44 3ip3 s ILE 50 Ca 0.10 -0.14 0.03 0.00 -1.41 0.00 0.00 60.65 59.23 3ip3 s ILE 50 Cb 0.44 -2.98 0.08 0.00 0.13 0.00 0.00 42.46 40.14 3ip3 s ILE 50 CO -0.13 0.55 -0.03 -0.75 -1.91 0.00 0.00 174.94 172.67 3ip3 s LYS 51 N -0.32 1.88 0.28 3.50 2.20 -1.26 -4.25 119.74 121.76 3ip3 s LYS 51 Ca 0.08 -1.61 0.07 0.00 -0.36 0.00 0.00 55.97 54.15 3ip3 s LYS 51 Cb -0.12 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 3ip3 s LYS 51 CO 0.02 -0.76 0.24 -1.25 -0.36 0.00 0.00 175.35 173.24 3ip3 s PRO 52 N 1.01 2.90 -0.43 4.03 0.04 -1.26 -4.93 135.00 136.36 3ip3 s PRO 52 Ca 0.01 -1.11 -0.29 0.00 0.04 0.00 0.00 61.00 59.65 3ip3 s PRO 52 Cb -0.20 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.80 3ip3 s PRO 52 CO -0.06 0.31 1.19 0.21 0.04 0.00 0.00 177.00 178.69 3ip3 s LYS 53 N -3.90 3.77 -0.41 4.56 2.20 -0.23 -4.85 119.74 120.88 3ip3 s LYS 53 Ca 0.36 0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 56.45 3ip3 s LYS 53 Cb -0.07 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 3ip3 s LYS 53 CO 0.26 -1.32 1.50 0.21 -0.36 0.00 0.00 175.35 175.64 3ip3 s LYS 54 N 4.40 3.49 0.49 4.03 2.20 -1.26 -2.36 119.74 130.72 3ip3 s LYS 54 Ca 0.51 1.00 -0.06 0.00 -0.36 0.00 0.00 55.97 57.06 3ip3 s LYS 54 Cb -0.10 -4.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 3ip3 s LYS 54 CO 0.29 -1.68 0.80 0.71 -0.36 0.00 0.00 175.35 175.11 3ip3 s TYR 55 N 5.86 3.57 -0.04 4.03 1.51 0.69 -4.97 117.35 127.99 3ip3 s TYR 55 Ca 0.65 0.84 0.18 0.00 -1.01 0.00 0.00 57.07 57.73 3ip3 s TYR 55 Cb -0.15 -2.32 -0.27 0.00 -0.11 0.00 0.00 41.96 39.10 3ip3 s TYR 55 CO 0.32 -0.30 0.35 0.09 -1.11 0.00 0.00 175.55 174.90 3ip3 n ASN 56 N -2.28 0.83 -3.98 2.29 3.02 -1.26 -4.27 115.26 109.61 3ip3 n ASN 56 Ca 0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.33 3ip3 n ASN 56 Cb 0.55 1.70 -0.16 0.00 -0.61 0.00 0.00 39.78 41.26 3ip3 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ip3 s ASN 57 N -4.24 1.46 0.20 6.41 3.84 -1.26 -4.70 114.94 116.65 3ip3 s ASN 57 Ca -0.07 -0.24 0.24 0.00 0.21 0.00 0.00 52.86 53.01 3ip3 s ASN 57 Cb 0.11 -0.67 0.46 0.00 -0.55 0.00 0.00 41.25 40.60 3ip3 s ASN 57 CO 0.75 0.01 1.48 4.11 -2.79 0.00 0.00 177.10 180.66 3ip3 h TRP 58 N 6.99 0.00 -0.18 0.43 5.08 -1.93 -3.14 115.95 123.21 3ip3 h TRP 58 Ca -0.34 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.65 3ip3 h TRP 58 Cb 1.18 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.32 3ip3 h TRP 58 CO 0.49 0.00 0.08 -1.49 -1.28 0.00 0.00 178.44 176.24 3ip3 h TRP 59 N 0.00 0.15 0.00 0.12 4.06 -1.96 -2.08 115.95 116.24 3ip3 h TRP 59 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3ip3 h TRP 59 Cb 0.81 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 3ip3 h TRP 59 CO 0.00 0.08 0.00 -1.91 -3.56 0.00 0.00 178.44 173.05 3ip3 n GLU 60 N -5.02 0.00 0.00 0.49 2.13 -1.19 -2.14 120.64 114.91 3ip3 n GLU 60 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3ip3 n GLU 60 Cb 0.05 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 30.80 3ip3 n GLU 60 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ip3 n LEU 62 N 0.27 0.00 -0.13 4.31 4.32 -0.78 0.53 117.00 125.52 3ip3 n LEU 62 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 3ip3 n LEU 62 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 3ip3 n LEU 62 CO 0.00 0.00 -1.33 1.21 -1.22 0.00 0.00 177.39 176.05 3ip3 n GLU 63 N 0.00 0.63 0.23 3.23 4.07 -0.91 -3.55 120.64 124.34 3ip3 n GLU 63 Ca 0.00 0.15 0.13 0.00 -0.06 0.00 0.00 57.16 57.38 3ip3 n GLU 63 Cb 0.00 -1.50 0.27 0.00 -0.06 0.00 0.00 31.44 30.14 3ip3 n GLU 63 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3ip3 h LYS 64 N -0.03 0.00 0.00 5.31 1.57 -0.19 -3.36 116.57 119.88 3ip3 h LYS 64 Ca -0.57 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 3ip3 h LYS 64 Cb 1.87 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.17 3ip3 h LYS 64 CO -0.10 0.00 -1.20 0.39 -0.57 0.00 0.00 179.45 177.97 3ip3 n GLU 65 N -3.10 0.66 -4.15 3.15 -0.58 -1.26 -5.04 120.64 110.31 3ip3 n GLU 65 Ca 0.03 -0.03 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 3ip3 n GLU 65 Cb 0.49 -1.10 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 3ip3 n GLU 65 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ip3 n LYS 66 N -1.73 -0.53 -1.50 3.49 4.76 -1.23 -4.85 118.16 116.56 3ip3 n LYS 66 Ca -0.02 0.05 -0.33 0.00 -2.87 0.00 0.00 58.31 55.14 3ip3 n LYS 66 Cb 0.19 -2.76 0.08 0.00 -1.84 0.00 0.00 35.03 30.70 3ip3 n LYS 66 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3ip3 s PRO 67 N -7.31 2.38 0.10 1.97 0.02 -1.26 -4.96 135.00 125.94 3ip3 s PRO 67 Ca 0.27 1.49 -0.00 0.00 0.02 0.00 0.00 61.00 62.78 3ip3 s PRO 67 Cb -0.15 -1.89 -0.22 0.00 0.02 0.00 0.00 34.50 32.26 3ip3 s PRO 67 CO 0.94 -1.60 1.22 -0.44 -0.33 0.00 0.00 177.00 176.79 3ip3 h ASP 68 N -0.38 0.28 -3.50 2.53 3.32 -1.52 -3.45 116.42 113.70 3ip3 h ASP 68 Ca -0.46 -0.29 -0.36 0.00 0.02 0.00 0.00 57.03 55.94 3ip3 h ASP 68 Cb 1.26 -0.09 -0.34 0.00 0.22 0.00 0.00 39.33 40.38 3ip3 h ASP 68 CO 0.51 1.20 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.85 3ip3 s ILE 69 N -2.77 0.28 -0.17 0.35 1.01 -0.70 -1.92 121.20 117.29 3ip3 s ILE 69 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 3ip3 s ILE 69 Cb 0.08 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 3ip3 s ILE 69 CO 0.86 0.16 -0.01 -0.22 0.00 0.00 0.00 174.94 175.73 3ip3 s LEU 70 N 0.95 3.35 -0.43 2.97 2.96 0.11 -1.15 118.68 127.43 3ip3 s LEU 70 Ca -0.10 -0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 3ip3 s LEU 70 Cb -0.14 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.77 3ip3 s LEU 70 CO -0.01 0.15 0.36 -0.69 -1.32 0.00 0.00 176.35 174.84 3ip3 s VAL 71 N 0.47 5.22 -0.25 1.68 1.01 0.57 -1.04 120.40 128.07 3ip3 s VAL 71 Ca -0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3ip3 s VAL 71 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3ip3 s VAL 71 CO 0.02 -0.43 0.10 -0.63 0.00 0.00 0.00 175.10 174.16 3ip3 s ILE 72 N 1.76 4.60 -0.47 2.22 1.01 -0.48 -0.56 121.20 129.28 3ip3 s ILE 72 Ca 0.06 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.70 3ip3 s ILE 72 Cb -0.20 -3.15 0.26 0.00 0.01 0.00 0.00 42.46 39.37 3ip3 s ILE 72 CO 0.10 0.34 0.87 -0.46 0.00 0.00 0.00 174.94 175.78 3ip3 n ASN 73 N 4.76 -2.32 -1.35 3.58 0.23 0.25 -0.62 115.26 119.79 3ip3 n ASN 73 Ca -0.16 -3.28 0.00 0.00 -0.53 0.00 0.00 54.58 50.61 3ip3 n ASN 73 Cb 0.52 1.46 0.00 0.00 -2.08 0.00 0.00 39.78 39.68 3ip3 n ASN 73 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3ip3 n THR 74 N 1.39 0.00 -1.18 5.53 5.66 -1.25 0.00 114.28 124.44 3ip3 n THR 74 Ca 0.11 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.65 3ip3 n THR 74 Cb 0.63 -0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.09 3ip3 n THR 74 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3ip3 n VAL 75 N -0.18 0.33 -0.18 1.08 0.31 -1.26 -4.62 118.33 113.81 3ip3 n VAL 75 Ca 0.00 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 3ip3 n VAL 75 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3ip3 n VAL 75 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3ip3 h PHE 76 N 2.05 0.93 -0.90 3.52 0.04 -1.85 -1.25 116.94 119.48 3ip3 h PHE 76 Ca -0.37 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.31 3ip3 h PHE 76 Cb 1.14 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.98 3ip3 h PHE 76 CO 0.43 0.84 0.59 0.66 -0.60 0.00 0.00 178.31 180.23 3ip3 h SER 77 N 0.74 0.95 -0.15 2.17 4.64 -1.61 -3.02 113.55 117.28 3ip3 h SER 77 Ca 0.15 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 3ip3 h SER 77 Cb 0.42 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3ip3 h SER 77 CO 0.01 0.64 -0.43 0.25 -0.87 0.00 0.00 176.83 176.44 3ip3 h LEU 78 N 1.10 0.75 -0.91 5.97 5.85 -1.55 -3.27 115.31 123.24 3ip3 h LEU 78 Ca 0.37 -0.35 0.26 0.00 0.84 0.00 0.00 57.88 59.00 3ip3 h LEU 78 Cb 0.06 -0.21 -0.15 0.00 0.37 0.00 0.00 40.66 40.73 3ip3 h LEU 78 CO -0.12 1.07 0.25 0.78 -0.34 0.00 0.00 178.44 180.08 3ip3 h ASN 79 N 0.56 -0.02 0.58 1.25 2.35 -1.20 0.51 115.58 119.62 3ip3 h ASN 79 Ca 0.04 0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 3ip3 h ASN 79 Cb 0.97 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 3ip3 h ASN 79 CO 0.09 -0.21 -0.60 1.23 -1.65 0.00 0.00 177.43 176.29 3ip3 h GLY 80 N 0.17 0.02 0.48 2.83 0.00 -1.61 -1.67 103.07 103.29 3ip3 h GLY 80 Ca 0.59 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.84 3ip3 h GLY 80 CO -0.70 0.02 -0.21 0.50 0.00 0.00 0.00 176.54 176.15 3ip3 h LYS 81 N 0.01 0.17 -0.23 4.80 1.57 -1.09 -2.78 116.57 119.03 3ip3 h LYS 81 Ca -0.01 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3ip3 h LYS 81 Cb 1.06 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3ip3 h LYS 81 CO 0.08 0.87 0.16 0.82 -0.57 0.00 0.00 179.45 180.80 3ip3 h ILE 82 N -0.46 0.91 -0.35 1.86 2.04 -1.21 -0.48 117.51 119.82 3ip3 h ILE 82 Ca -0.02 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.69 3ip3 h ILE 82 Cb 0.93 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3ip3 h ILE 82 CO 0.04 0.01 -0.31 0.25 0.00 0.00 0.00 178.15 178.14 3ip3 h LEU 83 N 0.05 0.79 -1.26 1.44 5.85 -1.32 -2.64 115.31 118.23 3ip3 h LEU 83 Ca 0.10 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3ip3 h LEU 83 Cb 0.35 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3ip3 h LEU 83 CO -0.01 1.04 0.08 0.25 -0.34 0.00 0.00 178.44 179.46 3ip3 h LEU 84 N 0.64 0.54 0.70 2.25 5.85 -0.80 -1.56 115.31 122.93 3ip3 h LEU 84 Ca 0.07 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3ip3 h LEU 84 Cb 0.84 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.74 3ip3 h LEU 84 CO 0.07 0.55 -0.34 -0.33 -0.34 0.00 0.00 178.44 178.06 3ip3 h GLU 85 N 0.57 -0.91 -0.64 1.25 4.39 -1.27 -2.25 114.58 115.71 3ip3 h GLU 85 Ca 0.13 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.02 3ip3 h GLU 85 Cb 0.25 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 29.01 3ip3 h GLU 85 CO -0.00 -0.58 0.14 0.00 -1.16 0.00 0.00 179.01 177.41 3ip3 h ALA 86 N -0.95 0.78 -0.62 3.43 0.00 -1.35 0.30 119.26 120.84 3ip3 h ALA 86 Ca -0.10 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ip3 h ALA 86 Cb 0.75 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3ip3 h ALA 86 CO 0.16 -0.31 0.41 -0.07 0.00 0.00 0.00 179.25 179.44 3ip3 h LEU 87 N 0.27 0.66 -0.06 0.00 3.38 -1.25 0.24 115.31 118.55 3ip3 h LEU 87 Ca 0.34 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 3ip3 h LEU 87 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ip3 h LEU 87 CO -0.43 0.46 -0.29 -0.33 0.09 0.00 0.00 178.44 177.94 3ip3 h GLU 88 N 0.77 0.30 -0.41 1.13 5.08 -0.43 -3.08 114.58 117.94 3ip3 h GLU 88 Ca 0.24 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ip3 h GLU 88 Cb 0.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3ip3 h GLU 88 CO -0.06 0.89 0.00 0.54 -1.00 0.00 0.00 179.01 179.38 3ip3 n ARG 89 N -4.46 0.72 -3.86 2.33 1.74 0.88 -4.88 116.66 109.12 3ip3 n ARG 89 Ca -0.08 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 3ip3 n ARG 89 Cb 0.49 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 3ip3 n ARG 89 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ip3 n LYS 90 N -0.14 -1.80 -3.33 5.56 5.02 0.56 -4.94 118.16 119.09 3ip3 n LYS 90 Ca 0.00 0.16 -0.40 0.00 -2.02 0.00 0.00 58.31 56.05 3ip3 n LYS 90 Cb 0.10 -4.75 -0.09 0.00 -0.02 0.00 0.00 35.03 30.28 3ip3 n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ip3 s ILE 91 N -2.90 5.11 0.12 -0.18 1.01 0.34 -4.84 121.20 119.87 3ip3 s ILE 91 Ca 0.57 0.39 -0.35 0.00 0.00 0.00 0.00 60.65 61.26 3ip3 s ILE 91 Cb -0.33 -3.83 -0.16 0.00 0.01 0.00 0.00 42.46 38.16 3ip3 s ILE 91 CO 0.70 -0.03 1.36 1.41 0.00 0.00 0.00 174.94 178.38 3ip3 n HIS 92 N 5.50 1.67 -5.00 3.97 8.25 -0.81 -4.31 115.22 124.49 3ip3 n HIS 92 Ca -0.07 0.56 -0.28 0.00 -0.26 0.00 0.00 57.72 57.67 3ip3 n HIS 92 Cb 0.50 -2.37 -0.16 0.00 1.12 0.00 0.00 29.99 29.07 3ip3 n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ip3 s ALA 93 N 0.43 1.75 -0.32 -1.41 0.00 -0.80 0.09 121.76 121.49 3ip3 s ALA 93 Ca 0.80 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 3ip3 s ALA 93 Cb -0.86 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 21.79 3ip3 s ALA 93 CO 0.46 0.35 0.03 0.12 0.00 0.00 0.00 175.76 176.72 3ip3 s PHE 94 N -0.16 3.40 -0.02 0.00 5.36 -0.21 -2.14 117.98 124.21 3ip3 s PHE 94 Ca -0.01 -2.21 0.07 0.00 -0.96 0.00 0.00 56.93 53.83 3ip3 s PHE 94 Cb -0.11 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 3ip3 s PHE 94 CO 0.02 -0.87 -0.24 0.54 -1.46 0.00 0.00 175.22 173.21 3ip3 s VAL 95 N 1.16 2.24 0.38 3.12 0.11 -0.64 -1.39 120.40 125.38 3ip3 s VAL 95 Ca -0.01 -1.06 -0.28 0.00 -2.93 0.00 0.00 61.98 57.70 3ip3 s VAL 95 Cb -0.20 -1.80 -0.11 0.00 -1.53 0.00 0.00 36.38 32.74 3ip3 s VAL 95 CO -0.03 0.57 1.49 1.21 -3.33 0.00 0.00 175.10 175.01 3ip3 n GLU 96 N 2.37 2.69 -2.91 1.54 4.07 0.21 -4.12 120.64 124.48 3ip3 n GLU 96 Ca -0.16 0.94 -0.32 0.00 -0.06 0.00 0.00 57.16 57.56 3ip3 n GLU 96 Cb 0.51 -2.68 -0.06 0.00 -0.06 0.00 0.00 31.44 29.16 3ip3 n GLU 96 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 3ip3 s LYS 97 N -2.12 4.03 0.74 5.31 0.00 -1.26 -4.07 119.74 122.37 3ip3 s LYS 97 Ca 0.53 0.81 -0.11 0.00 0.00 0.00 0.00 55.97 57.20 3ip3 s LYS 97 Cb -0.47 -2.31 0.04 0.00 0.00 0.00 0.00 37.83 35.08 3ip3 s LYS 97 CO 0.64 0.02 1.08 -1.25 0.00 0.00 0.00 175.35 175.84 3ip3 s PRO 98 N -3.31 2.46 0.00 1.78 0.04 -1.26 -4.89 135.00 129.83 3ip3 s PRO 98 Ca 0.57 1.14 0.29 0.00 0.04 0.00 0.00 61.00 63.04 3ip3 s PRO 98 Cb -0.10 -1.92 1.37 0.00 0.04 0.00 0.00 34.50 33.89 3ip3 s PRO 98 CO 0.20 -1.48 1.93 0.44 0.04 0.00 0.00 177.00 178.13 3ip3 n ILE 99 N -3.33 0.00 -3.54 0.56 -5.35 -1.26 -4.74 119.36 101.71 3ip3 n ILE 99 Ca 0.09 -0.10 -0.15 0.00 -0.27 0.00 0.00 62.75 62.31 3ip3 n ILE 99 Cb 0.53 -0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.34 3ip3 n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ip3 s ALA 100 N -2.19 -1.82 -1.42 -1.28 0.00 -1.26 -3.58 121.76 110.21 3ip3 s ALA 100 Ca 0.37 1.42 0.15 0.00 0.00 0.00 0.00 51.96 53.91 3ip3 s ALA 100 Cb 0.21 -0.26 0.36 0.00 0.00 0.00 0.00 23.12 23.42 3ip3 s ALA 100 CO 0.40 -0.35 1.27 0.25 0.00 0.00 0.00 175.76 177.34 3ip3 n THR 101 N 0.90 0.79 -3.88 0.00 -2.24 -1.26 -4.96 114.28 103.62 3ip3 n THR 101 Ca -0.16 -0.89 -0.11 0.00 -2.27 0.00 0.00 64.05 60.62 3ip3 n THR 101 Cb 0.57 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 3ip3 n THR 101 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ip3 s THR 102 N -1.06 0.08 0.37 4.28 -4.23 -1.26 -4.93 115.64 108.89 3ip3 s THR 102 Ca 0.29 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 3ip3 s THR 102 Cb 0.16 -0.39 0.28 0.00 1.34 0.00 0.00 72.50 73.89 3ip3 s THR 102 CO 0.21 -0.36 2.00 -0.26 -0.54 0.00 0.00 174.62 175.68 3ip3 h PHE 103 N 4.50 0.71 0.31 3.99 0.04 -1.98 -2.26 116.94 122.25 3ip3 h PHE 103 Ca -0.30 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.47 3ip3 h PHE 103 Cb 1.20 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 3ip3 h PHE 103 CO 0.58 0.41 -0.20 0.93 -0.60 0.00 0.00 178.31 179.43 3ip3 h GLU 104 N 0.73 -0.48 -0.36 1.51 5.08 -1.99 -0.13 114.58 118.94 3ip3 h GLU 104 Ca 0.25 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3ip3 h GLU 104 Cb 0.09 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3ip3 h GLU 104 CO -0.07 -0.32 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.16 3ip3 h ASP 105 N -0.50 0.54 -0.63 1.42 3.32 -1.93 -2.06 116.42 116.58 3ip3 h ASP 105 Ca -0.03 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 3ip3 h ASP 105 Cb 0.41 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3ip3 h ASP 105 CO 0.03 0.63 0.14 0.25 -1.72 0.00 0.00 179.24 178.57 3ip3 h LEU 106 N 0.54 0.97 -0.50 1.55 5.85 -1.29 -1.86 115.31 120.57 3ip3 h LEU 106 Ca 0.11 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3ip3 h LEU 106 Cb 0.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3ip3 h LEU 106 CO 0.02 0.96 0.30 -0.08 -0.34 0.00 0.00 178.44 179.29 3ip3 h GLU 107 N 0.93 0.58 -0.79 1.25 4.57 -0.65 0.18 114.58 120.67 3ip3 h GLU 107 Ca 0.20 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.41 3ip3 h GLU 107 Cb 0.38 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.77 3ip3 h GLU 107 CO 0.00 0.39 0.46 0.87 -1.18 0.00 0.00 179.01 179.55 3ip3 h LYS 108 N 0.60 0.81 -0.26 1.92 1.57 -1.24 -0.04 116.57 119.93 3ip3 h LYS 108 Ca 0.20 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 3ip3 h LYS 108 Cb 0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3ip3 h LYS 108 CO -0.09 0.54 -0.34 0.82 -0.57 0.00 0.00 179.45 179.81 3ip3 h ILE 109 N 0.84 1.31 -0.83 1.86 2.04 -0.74 -1.70 117.51 120.28 3ip3 h ILE 109 Ca 0.35 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 3ip3 h ILE 109 Cb 0.21 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3ip3 h ILE 109 CO -0.19 0.49 0.51 -0.09 0.00 0.00 0.00 178.15 178.87 3ip3 h ARG 110 N 0.42 1.13 -0.08 2.37 2.43 -0.34 -0.05 114.38 120.25 3ip3 h ARG 110 Ca 0.03 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3ip3 h ARG 110 Cb 0.92 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3ip3 h ARG 110 CO 0.08 0.78 -0.04 1.03 -1.51 0.00 0.00 179.97 180.31 3ip3 h SER 111 N 1.14 0.17 -0.22 -3.80 0.87 -0.98 -2.72 113.55 108.01 3ip3 h SER 111 Ca 0.30 -0.43 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 3ip3 h SER 111 Cb -0.06 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3ip3 h SER 111 CO -0.06 0.56 -0.10 0.58 -0.53 0.00 0.00 176.83 177.28 3ip3 h VAL 112 N -0.22 1.24 -0.48 2.23 2.07 -1.26 -3.25 116.25 116.57 3ip3 h VAL 112 Ca 0.02 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.38 3ip3 h VAL 112 Cb 0.50 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3ip3 h VAL 112 CO 0.01 0.35 -0.17 0.22 0.02 0.00 0.00 177.57 178.00 3ip3 h TYR 113 N 0.55 1.09 0.00 1.57 3.20 -0.92 -2.25 116.97 120.21 3ip3 h TYR 113 Ca 0.10 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 3ip3 h TYR 113 Cb 0.50 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 3ip3 h TYR 113 CO 0.02 1.06 -0.02 -0.56 -1.64 0.00 0.00 178.16 177.02 3ip3 h GLN 114 N 0.81 0.00 0.34 1.82 3.07 -1.52 -2.08 115.11 117.55 3ip3 h GLN 114 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.84 3ip3 h GLN 114 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 3ip3 h GLN 114 CO 0.06 0.02 -0.16 0.87 0.09 0.00 0.00 178.83 179.71 3ip3 h LYS 115 N 0.00 -0.44 -0.64 0.06 6.56 -1.49 -3.37 116.57 117.25 3ip3 h LYS 115 Ca -0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 3ip3 h LYS 115 Cb 0.05 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3ip3 h LYS 115 CO 0.00 -0.29 0.00 1.33 -2.06 0.00 0.00 179.45 178.43 3ip3 n VAL 116 N -3.89 1.24 0.01 0.50 0.24 -0.89 -4.65 118.33 110.88 3ip3 n VAL 116 Ca -0.06 -0.73 -0.02 0.00 -2.04 0.00 0.00 64.34 61.49 3ip3 n VAL 116 Cb 0.18 -0.14 0.23 0.00 -1.47 0.00 0.00 33.84 32.64 3ip3 n VAL 116 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3ip3 h ARG 117 N 2.39 0.49 -0.00 7.34 -0.00 -1.55 -1.97 114.38 121.08 3ip3 h ARG 117 Ca 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 59.98 59.67 3ip3 h ARG 117 Cb 1.08 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.97 30.99 3ip3 h ARG 117 CO 0.18 0.66 -0.70 -0.91 -0.00 0.00 0.00 179.97 179.20 3ip3 h ASN 118 N 0.45 0.00 0.25 0.08 4.21 -1.87 -3.36 115.58 115.34 3ip3 h ASN 118 Ca 0.08 -0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.24 3ip3 h ASN 118 Cb 0.57 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 3ip3 h ASN 118 CO 0.04 0.70 -1.83 -0.33 -1.29 0.00 0.00 177.43 174.72 3ip3 h GLU 119 N 0.00 0.25 -5.25 0.81 5.08 -1.82 -3.47 114.58 110.17 3ip3 h GLU 119 Ca -0.01 -0.42 -0.38 0.00 -1.00 0.00 0.00 59.36 57.55 3ip3 h GLU 119 Cb 1.24 0.16 -0.19 0.00 0.50 0.00 0.00 28.75 30.46 3ip3 h GLU 119 CO 0.09 1.11 -0.75 0.54 -1.00 0.00 0.00 179.01 178.99 3ip3 s VAL 120 N -2.58 1.15 0.07 3.13 0.11 -0.78 -5.01 120.40 116.49 3ip3 s VAL 120 Ca -0.16 -1.60 0.06 0.00 -2.93 0.00 0.00 61.98 57.36 3ip3 s VAL 120 Cb 0.07 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 3ip3 s VAL 120 CO 0.81 -0.42 -0.17 0.12 -3.33 0.00 0.00 175.10 172.11 3ip3 s PHE 121 N -2.04 1.50 0.07 1.54 5.36 -1.26 -4.54 117.98 118.61 3ip3 s PHE 121 Ca 0.05 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.57 3ip3 s PHE 121 Cb -0.05 -0.86 -0.02 0.00 -0.34 0.00 0.00 43.02 41.75 3ip3 s PHE 121 CO 0.02 0.10 0.10 -0.59 -1.46 0.00 0.00 175.22 173.39 3ip3 s PHE 122 N -1.03 0.31 0.20 10.12 -0.71 -1.26 -1.90 117.98 123.71 3ip3 s PHE 122 Ca 0.03 -0.79 -0.21 0.00 -1.04 0.00 0.00 56.93 54.92 3ip3 s PHE 122 Cb -0.09 -0.20 0.05 0.00 -1.21 0.00 0.00 43.02 41.57 3ip3 s PHE 122 CO 0.02 -0.48 0.60 -0.08 -1.34 0.00 0.00 175.22 173.95 3ip3 s THR 123 N -3.89 0.01 0.00 -4.49 -1.32 -0.91 -3.91 115.64 101.13 3ip3 s THR 123 Ca 0.06 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 3ip3 s THR 123 Cb 0.06 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 3ip3 s THR 123 CO -0.10 -0.04 0.00 0.00 -2.21 0.00 0.00 174.62 172.26 3ip3 n ALA 124 N -0.38 0.00 0.00 11.08 0.00 -1.26 -1.62 120.51 128.33 3ip3 n ALA 124 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3ip3 n ALA 124 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3ip3 n ALA 124 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ip3 n PHE 126 N 0.00 0.00 0.45 0.00 3.72 -1.26 -4.85 117.46 115.52 3ip3 n PHE 126 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 3ip3 n PHE 126 Cb 0.00 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 38.94 3ip3 n PHE 126 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ip3 h GLY 127 N 0.00 0.00 1.91 1.37 0.00 -2.00 -3.20 103.07 101.15 3ip3 h GLY 127 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3ip3 h GLY 127 CO 0.00 0.00 -0.38 -2.22 0.00 0.00 0.00 176.54 173.94 3ip3 h ILE 128 N 0.00 1.29 -0.93 2.60 2.04 -1.99 -2.92 117.51 117.60 3ip3 h ILE 128 Ca 0.00 -1.38 0.21 0.00 1.00 0.00 0.00 64.86 64.69 3ip3 h ILE 128 Cb 0.69 1.68 -0.12 0.00 -0.74 0.00 0.00 36.82 38.34 3ip3 h ILE 128 CO 0.00 0.40 0.48 0.03 0.00 0.00 0.00 178.15 179.06 3ip3 h ARG 129 N 0.08 0.51 -0.00 2.37 3.08 -1.96 -2.31 114.38 116.15 3ip3 h ARG 129 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3ip3 h ARG 129 Cb 0.72 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ip3 h ARG 129 CO 0.05 0.34 -0.03 0.66 -1.07 0.00 0.00 179.97 179.92 3ip3 n TYR 130 N -4.94 0.00 -2.23 3.04 4.02 -1.10 -3.20 117.16 112.75 3ip3 n TYR 130 Ca 0.23 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.74 3ip3 n TYR 130 Cb 0.64 -0.09 -0.01 0.00 -0.02 0.00 0.00 39.34 39.86 3ip3 n TYR 130 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3ip3 s ARG 131 N -2.21 3.80 0.22 -0.72 0.52 -0.87 -0.93 118.95 118.77 3ip3 s ARG 131 Ca 0.39 1.84 -0.08 0.00 -0.52 0.00 0.00 55.73 57.36 3ip3 s ARG 131 Cb 0.21 -2.48 0.36 0.00 0.52 0.00 0.00 34.95 33.56 3ip3 s ARG 131 CO 0.41 -0.53 1.71 -1.35 0.02 0.00 0.00 175.30 175.55 3ip3 h PRO 132 N 2.18 0.30 -0.84 3.54 0.11 -1.86 -1.10 132.00 134.33 3ip3 h PRO 132 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ip3 h PRO 132 Cb 1.25 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3ip3 h PRO 132 CO 0.61 0.20 0.55 1.12 -0.21 0.00 0.00 178.00 180.26 3ip3 h HIS 133 N 0.31 1.07 0.04 0.65 2.07 -1.88 0.23 115.15 117.65 3ip3 h HIS 133 Ca 0.36 0.02 -0.27 0.00 -2.85 0.00 0.00 60.37 57.62 3ip3 h HIS 133 Cb 0.54 -0.36 0.02 0.00 2.57 0.00 0.00 27.41 30.19 3ip3 h HIS 133 CO -0.23 0.69 -1.09 0.74 -3.07 0.00 0.00 177.93 174.97 3ip3 h PHE 134 N 1.15 1.01 -0.88 6.12 0.04 -1.67 -2.43 116.94 120.28 3ip3 h PHE 134 Ca 0.31 -0.58 0.11 0.00 2.80 0.00 0.00 57.97 60.61 3ip3 h PHE 134 Cb -0.11 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 37.86 3ip3 h PHE 134 CO 0.00 1.42 0.50 -0.07 -0.60 0.00 0.00 178.31 179.57 3ip3 h LEU 135 N 0.32 0.71 -0.08 1.54 3.38 -0.84 -0.67 115.31 119.66 3ip3 h LEU 135 Ca -0.15 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3ip3 h LEU 135 Cb 1.76 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 3ip3 h LEU 135 CO 0.21 0.37 -0.09 0.74 0.09 0.00 0.00 178.44 179.77 3ip3 h THR 136 N 0.80 1.37 -0.78 0.22 2.02 -0.56 -0.73 112.91 115.26 3ip3 h THR 136 Ca 0.44 -1.27 0.10 0.00 0.77 0.00 0.00 66.41 66.45 3ip3 h THR 136 Cb 0.47 2.04 -0.08 0.00 -1.74 0.00 0.00 68.15 68.84 3ip3 h THR 136 CO -0.28 0.35 0.42 0.00 0.37 0.00 0.00 175.52 176.38 3ip3 h ALA 137 N 0.55 1.11 -0.68 6.16 0.00 -1.28 0.10 119.26 125.23 3ip3 h ALA 137 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ip3 h ALA 137 Cb 0.61 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ip3 h ALA 137 CO 0.02 0.01 0.44 -0.22 0.00 0.00 0.00 179.25 179.50 3ip3 h LYS 138 N 0.69 0.91 0.12 0.00 1.63 -0.94 -2.00 116.57 116.98 3ip3 h LYS 138 Ca 0.39 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.12 3ip3 h LYS 138 Cb 0.41 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3ip3 h LYS 138 CO -0.28 0.62 -0.06 -0.22 -3.45 0.00 0.00 179.45 176.06 3ip3 h LYS 139 N 0.93 -0.15 -0.82 1.90 3.64 0.07 -2.30 116.57 119.84 3ip3 h LYS 139 Ca 0.25 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.72 3ip3 h LYS 139 Cb -0.09 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 3ip3 h LYS 139 CO -0.05 -0.09 0.48 -0.07 -2.27 0.00 0.00 179.45 177.45 3ip3 h LEU 140 N -0.17 0.71 -0.30 5.20 3.38 -0.71 -1.54 115.31 121.88 3ip3 h LEU 140 Ca -0.02 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3ip3 h LEU 140 Cb 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3ip3 h LEU 140 CO 0.03 0.42 -0.03 0.58 0.09 0.00 0.00 178.44 179.53 3ip3 h VAL 141 N 0.83 1.27 -0.88 1.22 2.07 -1.26 0.13 116.25 119.64 3ip3 h VAL 141 Ca 0.38 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3ip3 h VAL 141 Cb 0.30 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3ip3 h VAL 141 CO -0.22 0.32 0.58 0.28 0.02 0.00 0.00 177.57 178.55 3ip3 h SER 142 N 0.34 0.94 0.16 0.57 0.02 -1.04 -0.79 113.55 113.73 3ip3 h SER 142 Ca 0.08 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3ip3 h SER 142 Cb 0.48 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3ip3 h SER 142 CO 0.02 0.64 0.00 -0.62 -1.14 0.00 0.00 176.83 175.73 3ip3 n GLU 143 N -4.45 0.69 -1.03 3.45 1.02 -0.61 -4.90 120.64 114.82 3ip3 n GLU 143 Ca 0.12 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3ip3 n GLU 143 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3ip3 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ip3 n GLY 144 N 0.76 0.73 0.30 0.62 0.00 -0.30 -4.97 105.19 102.33 3ip3 n GLY 144 Ca 0.18 -0.68 0.18 0.00 0.00 0.00 0.00 46.02 45.70 3ip3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip3 h ALA 145 N 0.00 1.12 -0.17 4.61 0.00 -0.90 -2.53 119.26 121.39 3ip3 h ALA 145 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ip3 h ALA 145 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ip3 h ALA 145 CO 0.00 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.62 3ip3 n VAL 146 N -3.29 0.81 -0.88 0.00 0.24 -1.26 -3.91 118.33 110.03 3ip3 n VAL 146 Ca -0.02 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 3ip3 n VAL 146 Cb 0.17 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 3ip3 n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ip3 n GLY 147 N 0.16 2.62 3.70 7.63 0.00 -0.96 -0.95 105.19 117.39 3ip3 n GLY 147 Ca 0.06 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3ip3 n GLY 147 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ip3 s GLU 148 N 0.00 4.31 0.11 1.61 2.12 -1.26 -4.77 118.70 120.82 3ip3 s GLU 148 Ca 0.00 0.53 -0.31 0.00 0.36 0.00 0.00 54.97 55.55 3ip3 s GLU 148 Cb 0.00 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.82 3ip3 s GLU 148 CO 0.00 0.02 1.54 0.42 -0.54 0.00 0.00 175.26 176.71 3ip3 s ILE 149 N 1.04 2.96 -0.06 -3.70 1.01 -1.26 -0.59 121.20 120.61 3ip3 s ILE 149 Ca 0.28 0.60 0.08 0.00 0.00 0.00 0.00 60.65 61.61 3ip3 s ILE 149 Cb -0.16 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 38.82 3ip3 s ILE 149 CO 0.11 0.03 0.08 0.54 0.00 0.00 0.00 174.94 175.70 3ip3 n ARG 150 N 4.55 1.94 -3.64 2.79 5.12 0.14 -4.88 116.66 122.68 3ip3 n ARG 150 Ca 0.14 -0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.91 3ip3 n ARG 150 Cb 0.40 -1.21 -0.07 0.00 -1.16 0.00 0.00 32.46 30.42 3ip3 n ARG 150 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3ip3 s LEU 151 N -4.29 -0.77 -0.04 0.55 2.96 -0.87 -3.16 118.68 113.07 3ip3 s LEU 151 Ca -0.04 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 3ip3 s LEU 151 Cb 0.03 2.39 0.02 0.00 0.50 0.00 0.00 46.19 49.14 3ip3 s LEU 151 CO 0.34 -0.24 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.41 3ip3 s VAL 152 N 0.78 0.41 -0.09 1.68 1.01 -0.62 -0.07 120.40 123.51 3ip3 s VAL 152 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3ip3 s VAL 152 Cb -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3ip3 s VAL 152 CO -0.06 0.20 -0.08 0.20 0.00 0.00 0.00 175.10 175.36 3ip3 s ASN 153 N 0.99 4.51 0.06 3.32 0.02 0.18 -0.66 114.94 123.36 3ip3 s ASN 153 Ca -0.10 -0.10 0.04 0.00 -1.02 0.00 0.00 52.86 51.67 3ip3 s ASN 153 Cb -0.14 -1.29 -0.03 0.00 0.02 0.00 0.00 41.25 39.81 3ip3 s ASN 153 CO -0.01 0.30 -0.11 0.42 0.02 0.00 0.00 177.10 177.72 3ip3 s THR 154 N -0.44 0.86 -0.02 1.60 -4.23 0.31 -0.72 115.64 112.99 3ip3 s THR 154 Ca 0.06 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3ip3 s THR 154 Cb -0.12 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.81 3ip3 s THR 154 CO 0.02 -0.34 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.16 3ip3 s GLN 155 N -1.83 0.43 -0.10 3.99 0.74 -0.24 -1.62 119.66 121.03 3ip3 s GLN 155 Ca -0.04 -0.06 0.02 0.00 0.05 0.00 0.00 55.36 55.33 3ip3 s GLN 155 Cb -0.09 -0.49 0.01 0.00 1.10 0.00 0.00 33.01 33.54 3ip3 s GLN 155 CO 0.01 -0.03 -0.17 0.15 -0.55 0.00 0.00 175.29 174.71 3ip3 s LYS 156 N 0.52 2.33 -0.13 1.67 -0.14 0.20 -2.14 119.74 122.06 3ip3 s LYS 156 Ca -0.06 -0.62 -0.04 0.00 -1.36 0.00 0.00 55.97 53.90 3ip3 s LYS 156 Cb -0.09 -1.90 0.06 0.00 -1.68 0.00 0.00 37.83 34.22 3ip3 s LYS 156 CO -0.01 0.02 0.17 0.45 -0.76 0.00 0.00 175.35 175.23 3ip3 s SER 157 N 0.75 1.05 0.13 2.83 0.15 -1.23 -0.67 113.70 116.70 3ip3 s SER 157 Ca -0.11 0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.74 3ip3 s SER 157 Cb -0.16 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 3ip3 s SER 157 CO 0.02 -0.28 -0.24 -0.31 1.20 0.00 0.00 173.24 173.64 3ip3 s TYR 158 N 2.29 2.08 0.28 3.44 2.02 -0.63 -1.79 117.35 125.05 3ip3 s TYR 158 Ca 0.04 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 3ip3 s TYR 158 Cb -0.13 -1.12 -0.10 0.00 -0.40 0.00 0.00 41.96 40.21 3ip3 s TYR 158 CO -0.08 0.30 1.40 0.15 -1.57 0.00 0.00 175.55 175.75 3ip3 s LYS 159 N -2.10 4.29 0.00 -0.62 1.02 -0.70 -2.45 119.74 119.17 3ip3 s LYS 159 Ca 0.12 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.39 3ip3 s LYS 159 Cb -0.10 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 3ip3 s LYS 159 CO 0.06 -0.35 0.00 -0.11 -0.92 0.00 0.00 175.35 174.02 3ip3 n LEU 160 N 1.78 0.60 0.00 3.17 7.94 -1.26 -4.98 117.00 124.26 3ip3 n LEU 160 Ca 0.04 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 3ip3 n LEU 160 Cb 0.41 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.08 3ip3 n LEU 160 CO 0.60 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 3ip3 n GLY 161 N 2.07 0.75 3.71 -3.96 0.00 -1.26 -4.74 105.19 101.77 3ip3 n GLY 161 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3ip3 n GLY 161 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ip3 s GLN 162 N 0.00 4.28 0.21 1.61 -0.21 -1.26 -5.04 119.66 119.25 3ip3 s GLN 162 Ca 0.00 2.15 0.07 0.00 0.02 0.00 0.00 55.36 57.60 3ip3 s GLN 162 Cb 0.00 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 3ip3 s GLN 162 CO 0.00 -0.51 -0.13 1.03 -2.12 0.00 0.00 175.29 173.56 3ip3 s ARG 163 N 1.35 1.33 0.59 2.91 1.81 -1.26 -5.13 118.95 120.55 3ip3 s ARG 163 Ca 0.66 -1.59 -0.18 0.00 -1.72 0.00 0.00 55.73 52.90 3ip3 s ARG 163 Cb -0.38 -1.08 -0.06 0.00 -0.45 0.00 0.00 34.95 32.97 3ip3 s ARG 163 CO 0.30 0.16 0.78 -2.30 -0.68 0.00 0.00 175.30 173.56 3ip3 n PRO 164 N -0.38 0.71 0.23 3.54 -0.02 -1.26 -4.89 135.00 132.92 3ip3 n PRO 164 Ca -0.08 0.28 0.14 0.00 -2.02 0.00 0.00 63.50 61.82 3ip3 n PRO 164 Cb 0.61 -1.97 0.77 0.00 -0.02 0.00 0.00 33.50 32.88 3ip3 n PRO 164 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ip3 h ASP 165 N 0.35 0.00 0.65 2.55 5.19 -2.02 -2.60 116.42 120.54 3ip3 h ASP 165 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3ip3 h ASP 165 Cb 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 3ip3 h ASP 165 CO 0.49 0.00 0.00 2.22 -3.12 0.00 0.00 179.24 178.83 3ip3 n PHE 166 N -4.16 0.77 0.22 4.55 1.16 -1.26 -1.63 117.46 117.11 3ip3 n PHE 166 Ca -0.00 0.31 0.06 0.00 -1.87 0.00 0.00 57.45 55.95 3ip3 n PHE 166 Cb 0.20 -1.00 0.51 0.00 -1.61 0.00 0.00 39.48 37.58 3ip3 n PHE 166 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 3ip3 h TYR 167 N 0.00 0.00 0.00 2.97 -1.99 -1.83 -3.00 116.97 113.13 3ip3 h TYR 167 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ip3 h TYR 167 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 3ip3 h TYR 167 CO 0.00 0.23 0.00 1.63 -0.00 0.00 0.00 178.16 180.02 3ip3 n LYS 168 N -4.07 0.17 -4.72 4.88 5.02 -0.64 -4.18 118.16 114.61 3ip3 n LYS 168 Ca -0.02 0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 56.29 3ip3 n LYS 168 Cb 0.30 -1.77 -0.17 0.00 -0.02 0.00 0.00 35.03 33.37 3ip3 n LYS 168 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ip3 s LYS 169 N -3.18 2.21 0.40 1.97 -0.14 -1.23 -0.42 119.74 119.34 3ip3 s LYS 169 Ca 0.08 -0.58 0.14 0.00 -1.36 0.00 0.00 55.97 54.25 3ip3 s LYS 169 Cb 0.11 -1.78 0.99 0.00 -1.68 0.00 0.00 37.83 35.47 3ip3 s LYS 169 CO 0.45 0.04 1.86 -0.09 -0.76 0.00 0.00 175.35 176.86 3ip3 h ARG 170 N 7.02 0.49 -0.82 1.68 9.65 -1.86 -0.06 114.38 130.49 3ip3 h ARG 170 Ca -0.28 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.62 3ip3 h ARG 170 Cb 1.20 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.62 3ip3 h ARG 170 CO 0.48 0.32 0.53 1.49 2.80 0.00 0.00 179.97 185.59 3ip3 h GLU 171 N 0.50 0.93 0.00 0.20 4.81 -1.95 -0.30 114.58 118.77 3ip3 h GLU 171 Ca 0.46 -0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 59.31 3ip3 h GLU 171 Cb 1.02 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 3ip3 h GLU 171 CO -0.20 0.61 -2.23 0.25 -0.73 0.00 0.00 179.01 176.71 3ip3 n THR 172 N -4.47 1.23 -0.01 0.32 -2.24 -0.93 -4.62 114.28 103.57 3ip3 n THR 172 Ca 0.11 -0.76 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 3ip3 n THR 172 Cb 0.16 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 3ip3 n THR 172 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3ip3 h TYR 173 N 0.00 0.90 0.00 4.78 3.20 -0.87 -1.79 116.97 123.19 3ip3 h TYR 173 Ca -0.49 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 60.96 3ip3 h TYR 173 Cb 2.11 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.25 3ip3 h TYR 173 CO 0.00 1.23 0.00 0.41 -1.64 0.00 0.00 178.16 178.16 3ip3 n GLY 174 N 0.81 2.84 0.00 1.82 0.00 -0.13 -4.73 105.19 105.80 3ip3 n GLY 174 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ip3 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip3 n GLY 175 N -2.00 2.34 0.22 -0.02 0.00 -1.26 -4.56 105.19 99.91 3ip3 n GLY 175 Ca 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.39 3ip3 n GLY 175 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ip3 h THR 176 N 0.00 1.08 -0.03 2.61 2.02 -1.90 -1.70 112.91 114.99 3ip3 h THR 176 Ca 0.00 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 3ip3 h THR 176 Cb 0.00 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3ip3 h THR 176 CO 0.00 0.20 0.01 0.40 0.37 0.00 0.00 175.52 176.49 3ip3 h ILE 177 N 0.00 1.20 0.00 3.11 2.04 -1.92 0.07 117.51 122.01 3ip3 h ILE 177 Ca -0.00 -0.61 -0.13 0.00 1.00 0.00 0.00 64.86 65.13 3ip3 h ILE 177 Cb 0.37 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3ip3 h ILE 177 CO 0.03 0.16 -0.60 -0.65 0.00 0.00 0.00 178.15 177.09 3ip3 h PRO 178 N -0.19 0.00 0.02 2.37 0.11 -1.74 -1.57 132.00 130.99 3ip3 h PRO 178 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3ip3 h PRO 178 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3ip3 h PRO 178 CO 0.00 0.60 -0.01 2.35 -0.21 0.00 0.00 178.00 180.73 3ip3 h TRP 179 N 0.00 -0.02 0.00 0.65 2.91 -1.24 -3.32 115.95 114.93 3ip3 h TRP 179 Ca -0.01 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 3ip3 h TRP 179 Cb 1.11 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.75 3ip3 h TRP 179 CO 0.00 0.73 -0.64 0.28 -1.03 0.00 0.00 178.44 177.77 3ip3 h VAL 180 N -0.94 0.47 0.00 2.65 2.07 -1.14 -3.41 116.25 115.95 3ip3 h VAL 180 Ca -0.00 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3ip3 h VAL 180 Cb 0.76 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3ip3 h VAL 180 CO 0.00 0.16 -0.02 1.23 0.02 0.00 0.00 177.57 178.96 3ip3 h GLY 181 N -1.00 0.00 1.58 2.17 0.00 -1.07 -3.01 103.07 101.73 3ip3 h GLY 181 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3ip3 h GLY 181 CO -0.07 0.00 0.10 1.19 0.00 0.00 0.00 176.54 177.76 3ip3 h ILE 182 N 0.00 1.17 -0.72 2.60 2.10 -1.58 -2.17 117.51 118.91 3ip3 h ILE 182 Ca -0.00 -0.58 0.15 0.00 1.08 0.00 0.00 64.86 65.51 3ip3 h ILE 182 Cb 0.11 0.78 -0.14 0.00 -1.09 0.00 0.00 36.82 36.48 3ip3 h ILE 182 CO 0.00 0.21 -0.14 0.45 -1.08 0.00 0.00 178.15 177.59 3ip3 h HIS 183 N 0.54 -0.31 -0.01 2.19 3.86 -1.82 -0.65 115.15 118.94 3ip3 h HIS 183 Ca 0.13 0.06 -0.18 0.00 -1.16 0.00 0.00 60.37 59.22 3ip3 h HIS 183 Cb 0.19 0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 3ip3 h HIS 183 CO 0.01 -0.30 -0.78 0.00 0.86 0.00 0.00 177.93 177.72 3ip3 h ALA 184 N 1.71 0.66 -0.44 2.45 0.00 -1.63 -2.09 119.26 119.92 3ip3 h ALA 184 Ca 0.36 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ip3 h ALA 184 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ip3 h ALA 184 CO -0.72 0.88 0.25 0.82 0.00 0.00 0.00 179.25 180.48 3ip3 h ILE 185 N 0.09 1.15 -0.17 0.00 2.04 -0.98 -1.34 117.51 118.31 3ip3 h ILE 185 Ca -0.03 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.48 3ip3 h ILE 185 Cb 1.37 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3ip3 h ILE 185 CO 0.12 0.16 -0.00 -0.78 0.00 0.00 0.00 178.15 177.64 3ip3 h ASP 186 N 0.59 -0.08 -0.55 1.72 3.58 -0.99 -1.41 116.42 119.28 3ip3 h ASP 186 Ca 0.16 0.04 0.10 0.00 0.42 0.00 0.00 57.03 57.75 3ip3 h ASP 186 Cb 0.03 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.07 3ip3 h ASP 186 CO -0.03 -0.01 0.07 -0.50 -2.88 0.00 0.00 179.24 175.89 3ip3 h TRP 187 N 0.05 0.09 -0.24 0.28 6.55 -1.02 0.32 115.95 121.99 3ip3 h TRP 187 Ca 0.08 0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.94 3ip3 h TRP 187 Cb 0.10 0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.44 3ip3 h TRP 187 CO -0.17 -0.07 0.09 0.82 -1.05 0.00 0.00 178.44 178.06 3ip3 h ILE 188 N 0.19 1.18 -0.04 1.49 2.04 -0.95 0.22 117.51 121.64 3ip3 h ILE 188 Ca 0.28 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3ip3 h ILE 188 Cb 0.42 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3ip3 h ILE 188 CO -0.40 0.18 0.02 -0.74 0.00 0.00 0.00 178.15 177.20 3ip3 h HIS 189 N 0.22 0.03 -0.09 1.37 2.76 -0.76 -1.39 115.15 117.30 3ip3 h HIS 189 Ca 0.08 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3ip3 h HIS 189 Cb 0.20 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 3ip3 h HIS 189 CO -0.01 0.02 0.04 2.35 -1.30 0.00 0.00 177.93 179.04 3ip3 h TRP 190 N 0.04 0.12 -0.12 5.26 7.01 -0.76 -0.76 115.95 126.75 3ip3 h TRP 190 Ca 0.02 -0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.79 3ip3 h TRP 190 Cb 0.00 -0.04 0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3ip3 h TRP 190 CO -0.09 0.19 -0.81 0.82 -2.79 0.00 0.00 178.44 175.77 3ip3 h ILE 191 N 0.02 1.30 0.00 2.65 1.08 -0.53 -3.30 117.51 118.72 3ip3 h ILE 191 Ca 0.03 -2.05 -0.17 0.00 -0.39 0.00 0.00 64.86 62.28 3ip3 h ILE 191 Cb 0.11 2.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 3ip3 h ILE 191 CO -0.00 0.64 -1.22 0.71 -0.69 0.00 0.00 178.15 177.58 3ip3 h THR 192 N 0.47 0.72 -1.80 -0.27 1.35 -1.31 -3.48 112.91 108.59 3ip3 h THR 192 Ca -0.06 -2.25 -0.34 0.00 -0.55 0.00 0.00 66.41 63.21 3ip3 h THR 192 Cb 1.43 2.23 -0.10 0.00 -1.73 0.00 0.00 68.15 69.98 3ip3 h THR 192 CO 0.16 0.41 -0.35 0.61 -0.25 0.00 0.00 175.52 176.10 3ip3 n GLY 193 N 1.38 1.03 3.74 5.82 0.00 -0.29 -4.98 105.19 111.89 3ip3 n GLY 193 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3ip3 n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip3 s LYS 194 N -3.88 2.73 0.30 1.61 1.02 -1.26 -5.10 119.74 115.16 3ip3 s LYS 194 Ca 0.00 -0.81 -0.28 0.00 0.02 0.00 0.00 55.97 54.90 3ip3 s LYS 194 Cb 0.00 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 3ip3 s LYS 194 CO 0.00 0.53 0.98 0.15 -0.92 0.00 0.00 175.35 176.10 3ip3 s LYS 195 N -2.54 4.64 0.08 1.68 -0.14 -1.26 -4.85 119.74 117.35 3ip3 s LYS 195 Ca 0.28 1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 56.08 3ip3 s LYS 195 Cb -0.11 -3.01 -0.05 0.00 -1.68 0.00 0.00 37.83 32.98 3ip3 s LYS 195 CO 0.21 0.30 1.10 -0.06 -0.76 0.00 0.00 175.35 176.14 3ip3 s PHE 196 N -1.39 3.56 -0.23 3.18 0.40 -1.26 -1.96 117.98 120.28 3ip3 s PHE 196 Ca 0.47 1.51 0.09 0.00 -0.60 0.00 0.00 56.93 58.40 3ip3 s PHE 196 Cb -0.24 -3.28 -0.20 0.00 0.51 0.00 0.00 43.02 39.81 3ip3 s PHE 196 CO 0.30 -0.68 -0.10 1.28 0.70 0.00 0.00 175.22 176.72 3ip3 n LEU 197 N 3.46 1.71 -3.45 -0.37 4.77 0.93 -4.65 117.00 119.40 3ip3 n LEU 197 Ca 0.06 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3ip3 n LEU 197 Cb 0.48 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3ip3 n LEU 197 CO 0.54 0.75 0.48 -0.94 -1.33 0.00 0.00 177.39 176.88 3ip3 s SER 198 N -6.04 -0.53 -0.01 -1.43 1.04 -1.12 0.03 113.70 105.65 3ip3 s SER 198 Ca -0.24 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3ip3 s SER 198 Cb 0.08 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3ip3 s SER 198 CO 0.69 -0.84 -0.04 0.54 0.98 0.00 0.00 173.24 174.57 3ip3 s VAL 199 N -3.28 0.32 -0.06 5.02 0.11 -0.26 -1.30 120.40 120.96 3ip3 s VAL 199 Ca 0.01 -0.14 0.06 0.00 -2.93 0.00 0.00 61.98 58.97 3ip3 s VAL 199 Cb -0.01 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 3ip3 s VAL 199 CO -0.09 0.11 -0.24 -0.47 -3.33 0.00 0.00 175.10 171.07 3ip3 s TYR 200 N 0.09 2.38 0.05 1.54 5.04 -0.12 -0.62 117.35 125.72 3ip3 s TYR 200 Ca -0.01 -0.72 -0.11 0.00 -2.44 0.00 0.00 57.07 53.79 3ip3 s TYR 200 Cb -0.04 -1.57 0.01 0.00 0.35 0.00 0.00 41.96 40.72 3ip3 s TYR 200 CO -0.00 -0.23 0.25 0.00 -1.34 0.00 0.00 175.55 174.23 3ip3 s ALA 201 N -0.12 -0.49 0.04 3.97 0.00 -1.26 -0.12 121.76 123.79 3ip3 s ALA 201 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 3ip3 s ALA 201 Cb -0.14 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3ip3 s ALA 201 CO 0.04 -0.42 -0.03 0.95 0.00 0.00 0.00 175.76 176.30 3ip3 s THR 202 N -2.82 0.20 0.08 0.00 -4.23 -0.15 -3.13 115.64 105.59 3ip3 s THR 202 Ca -0.03 -1.58 -0.17 0.00 -1.18 0.00 0.00 61.69 58.74 3ip3 s THR 202 Cb 0.00 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.68 3ip3 s THR 202 CO -0.05 -0.87 0.39 -1.38 -0.54 0.00 0.00 174.62 172.17 3ip3 s HIS 203 N -3.27 -0.21 0.01 3.99 -3.43 -1.26 -0.96 115.29 110.17 3ip3 s HIS 203 Ca 0.01 0.02 -0.02 0.00 -0.80 0.00 0.00 55.06 54.27 3ip3 s HIS 203 Cb 0.03 0.22 -0.01 0.00 -1.43 0.00 0.00 32.58 31.39 3ip3 s HIS 203 CO -0.08 -0.62 0.02 0.45 -2.00 0.00 0.00 174.74 172.51 3ip3 s SER 204 N -2.41 0.17 -0.01 7.38 0.15 -0.25 -4.97 113.70 113.77 3ip3 s SER 204 Ca -0.01 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.26 3ip3 s SER 204 Cb 0.01 0.13 0.07 0.00 -1.71 0.00 0.00 66.02 64.52 3ip3 s SER 204 CO -0.07 -0.32 1.05 -2.11 1.20 0.00 0.00 173.24 172.99 3ip3 n ARG 205 N 1.56 2.84 -1.76 5.44 1.85 -1.26 -1.55 116.66 123.77 3ip3 n ARG 205 Ca -0.24 -1.68 -0.40 0.00 -1.00 0.00 0.00 57.85 54.54 3ip3 n ARG 205 Cb 0.55 -1.09 0.02 0.00 -1.05 0.00 0.00 32.46 30.90 3ip3 n ARG 205 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ip3 n LEU 206 N -0.46 5.21 -3.63 2.89 4.77 -1.26 -3.50 117.00 121.02 3ip3 n LEU 206 Ca 0.03 1.10 -0.22 0.00 -0.03 0.00 0.00 56.01 56.89 3ip3 n LEU 206 Cb 0.31 -1.60 0.06 0.00 -2.33 0.00 0.00 43.42 39.86 3ip3 n LEU 206 CO 0.01 -0.20 0.07 1.41 -1.33 0.00 0.00 177.39 177.35 3ip3 n HIS 207 N -0.33 -2.23 -0.34 -1.77 8.25 -1.26 -4.75 115.22 112.79 3ip3 n HIS 207 Ca 0.06 0.91 0.05 0.00 -0.26 0.00 0.00 57.72 58.48 3ip3 n HIS 207 Cb 0.42 -4.66 0.29 0.00 1.12 0.00 0.00 29.99 27.16 3ip3 n HIS 207 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ip3 n ASN 208 N -3.04 4.35 -3.79 0.41 6.94 -1.23 -4.95 115.26 113.96 3ip3 n ASN 208 Ca -0.19 -2.65 -0.25 0.00 -0.02 0.00 0.00 54.58 51.48 3ip3 n ASN 208 Cb 0.63 -0.63 0.01 0.00 -2.36 0.00 0.00 39.78 37.44 3ip3 n ASN 208 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3ip3 n SER 209 N 0.46 -1.68 -2.48 0.53 7.64 -1.26 -1.96 113.62 114.86 3ip3 n SER 209 Ca 0.20 -0.93 -0.19 0.00 1.01 0.00 0.00 58.87 58.96 3ip3 n SER 209 Cb 0.92 -3.54 -0.01 0.00 -1.01 0.00 0.00 64.21 60.57 3ip3 n SER 209 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ip3 n GLY 210 N -1.76 -0.50 1.47 0.23 0.00 -1.26 -4.88 105.19 98.49 3ip3 n GLY 210 Ca -0.26 0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3ip3 n GLY 210 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ip3 n HIS 211 N -3.89 1.46 0.00 1.61 8.25 -0.83 -5.02 115.22 116.80 3ip3 n HIS 211 Ca -0.21 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.65 3ip3 n HIS 211 Cb 0.66 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3ip3 n HIS 211 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ip3 n GLY 212 N 0.26 2.51 0.38 -1.41 0.00 -1.26 -2.36 105.19 103.30 3ip3 n GLY 212 Ca 0.21 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.50 3ip3 n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ip3 n GLU 213 N 6.07 1.39 -2.03 1.61 1.02 0.43 -4.94 120.64 124.19 3ip3 n GLU 213 Ca 0.00 -0.76 -0.42 0.00 -0.02 0.00 0.00 57.16 55.96 3ip3 n GLU 213 Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 3ip3 n GLU 213 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ip3 s LEU 214 N -2.14 4.38 -0.14 -4.62 0.20 -1.00 -4.77 118.68 110.60 3ip3 s LEU 214 Ca 0.35 2.57 -0.26 0.00 0.69 0.00 0.00 54.13 57.48 3ip3 s LEU 214 Cb 0.21 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.34 3ip3 s LEU 214 CO 0.39 -0.72 0.83 -1.61 -0.29 0.00 0.00 176.35 174.95 3ip3 s GLU 215 N 0.41 4.34 0.33 1.98 8.01 -1.26 -4.57 118.70 127.94 3ip3 s GLU 215 Ca 0.63 1.04 0.24 0.00 0.01 0.00 0.00 54.97 56.90 3ip3 s GLU 215 Cb -0.41 -3.55 0.44 0.00 -4.31 0.00 0.00 34.13 26.30 3ip3 s GLU 215 CO 0.37 -0.25 1.58 1.79 0.01 0.00 0.00 175.26 178.75 3ip3 h THR 216 N 5.09 0.00 -3.62 3.63 1.35 -1.58 -3.43 112.91 114.35 3ip3 h THR 216 Ca -0.32 -0.82 -0.12 0.00 -0.55 0.00 0.00 66.41 64.60 3ip3 h THR 216 Cb 1.15 1.74 -0.18 0.00 -1.73 0.00 0.00 68.15 69.13 3ip3 h THR 216 CO 0.82 0.00 -0.45 0.42 -0.25 0.00 0.00 175.52 176.06 3ip3 s THR 217 N -3.19 0.11 -0.15 6.82 -4.23 -1.10 -0.27 115.64 113.63 3ip3 s THR 217 Ca 0.07 -0.92 -0.29 0.00 -1.18 0.00 0.00 61.69 59.37 3ip3 s THR 217 Cb 0.08 -0.82 0.10 0.00 1.34 0.00 0.00 72.50 73.19 3ip3 s THR 217 CO 0.67 -0.51 0.85 0.00 -0.54 0.00 0.00 174.62 175.08 3ip3 s ALA 218 N -2.37 -1.86 -0.05 3.99 0.00 -0.51 -1.09 121.76 119.88 3ip3 s ALA 218 Ca -0.07 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3ip3 s ALA 218 Cb -0.02 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.52 3ip3 s ALA 218 CO -0.03 -0.33 -0.01 -1.17 0.00 0.00 0.00 175.76 174.22 3ip3 s LEU 219 N -0.75 1.01 0.02 0.00 2.96 -0.13 -0.38 118.68 121.40 3ip3 s LEU 219 Ca -0.04 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 3ip3 s LEU 219 Cb -0.02 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 3ip3 s LEU 219 CO 0.04 -0.12 -0.25 0.00 -1.32 0.00 0.00 176.35 174.70 3ip3 s HIS 221 N -0.70 1.65 -0.09 0.00 2.46 0.83 -1.17 115.29 118.27 3ip3 s HIS 221 Ca 0.10 -0.96 -0.00 0.00 0.47 0.00 0.00 55.06 54.67 3ip3 s HIS 221 Cb -0.10 -1.30 -0.03 0.00 -0.13 0.00 0.00 32.58 31.02 3ip3 s HIS 221 CO 0.01 -0.58 -0.06 -0.06 -2.47 0.00 0.00 174.74 171.57 3ip3 s PHE 222 N 1.65 2.95 -0.18 3.88 0.08 0.69 -0.94 117.98 126.11 3ip3 s PHE 222 Ca 0.03 -0.09 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 3ip3 s PHE 222 Cb -0.14 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 3ip3 s PHE 222 CO -0.08 0.22 0.06 0.99 -0.10 0.00 0.00 175.22 176.31 3ip3 s THR 223 N -0.49 4.74 0.52 0.64 2.01 -0.42 -1.44 115.64 121.21 3ip3 s THR 223 Ca 0.07 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.08 3ip3 s THR 223 Cb -0.12 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.28 3ip3 s THR 223 CO 0.02 0.46 0.35 -0.76 -0.69 0.00 0.00 174.62 174.00 3ip3 s LEU 224 N 0.41 2.74 0.70 4.42 1.02 0.11 -0.05 118.68 128.04 3ip3 s LEU 224 Ca 0.03 -1.24 -0.16 0.00 0.02 0.00 0.00 54.13 52.78 3ip3 s LEU 224 Cb -0.13 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 3ip3 s LEU 224 CO 0.00 -1.02 0.72 -0.62 0.02 0.00 0.00 176.35 175.46 3ip3 n GLU 225 N -1.67 0.43 -2.76 1.70 1.02 -0.83 -3.39 120.64 115.14 3ip3 n GLU 225 Ca -0.03 0.19 -0.22 0.00 -0.02 0.00 0.00 57.16 57.09 3ip3 n GLU 225 Cb 0.64 -1.99 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 3ip3 n GLU 225 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3ip3 n ASN 226 N -0.81 -5.91 -2.76 1.62 5.15 -1.26 -2.77 115.26 108.52 3ip3 n ASN 226 Ca 0.11 -0.16 -0.21 0.00 -0.60 0.00 0.00 54.58 53.72 3ip3 n ASN 226 Cb 0.49 -4.84 0.01 0.00 -0.53 0.00 0.00 39.78 34.91 3ip3 n ASN 226 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ip3 n GLU 227 N -3.57 -3.43 -2.90 1.20 1.02 -1.22 -4.96 120.64 106.78 3ip3 n GLU 227 Ca -0.17 0.92 -0.41 0.00 -0.02 0.00 0.00 57.16 57.48 3ip3 n GLU 227 Cb 0.65 -5.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.34 3ip3 n GLU 227 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ip3 s VAL 228 N -3.09 4.96 0.03 2.62 1.01 -1.11 -4.95 120.40 119.87 3ip3 s VAL 228 Ca 0.17 1.69 0.05 0.00 0.00 0.00 0.00 61.98 63.90 3ip3 s VAL 228 Cb -0.08 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3ip3 s VAL 228 CO 0.21 0.19 -0.13 -0.36 0.00 0.00 0.00 175.10 175.02 3ip3 s PHE 229 N 1.03 2.71 -0.03 5.22 0.08 -1.19 0.04 117.98 125.83 3ip3 s PHE 229 Ca 0.43 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.34 3ip3 s PHE 229 Cb -0.19 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 3ip3 s PHE 229 CO 0.21 0.32 -0.06 0.00 -0.10 0.00 0.00 175.22 175.59 3ip3 s ALA 230 N -0.98 0.68 0.12 5.36 0.00 -0.52 -1.58 121.76 124.83 3ip3 s ALA 230 Ca 0.16 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.01 3ip3 s ALA 230 Cb -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3ip3 s ALA 230 CO 0.07 0.07 -0.03 -1.54 0.00 0.00 0.00 175.76 174.32 3ip3 s SER 231 N 0.45 4.73 -0.09 0.00 1.04 0.17 -0.22 113.70 119.79 3ip3 s SER 231 Ca -0.06 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 3ip3 s SER 231 Cb -0.10 -1.02 0.04 0.00 0.10 0.00 0.00 66.02 65.04 3ip3 s SER 231 CO 0.00 0.15 0.06 -0.22 0.98 0.00 0.00 173.24 174.21 3ip3 s LEU 232 N -2.48 0.33 -0.18 2.42 2.96 -0.32 -0.53 118.68 120.88 3ip3 s LEU 232 Ca 0.25 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 3ip3 s LEU 232 Cb -0.11 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 3ip3 s LEU 232 CO 0.17 -0.27 0.02 -0.55 -1.32 0.00 0.00 176.35 174.41 3ip3 s SER 233 N 2.11 5.27 -0.06 3.68 0.15 -0.64 -0.76 113.70 123.45 3ip3 s SER 233 Ca 0.04 -0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.70 3ip3 s SER 233 Cb -0.13 -1.89 0.01 0.00 -1.71 0.00 0.00 66.02 62.29 3ip3 s SER 233 CO -0.05 0.16 -0.14 -0.63 1.20 0.00 0.00 173.24 173.77 3ip3 s ILE 234 N 0.46 1.28 -0.01 6.45 1.01 0.49 -0.63 121.20 130.25 3ip3 s ILE 234 Ca 0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3ip3 s ILE 234 Cb -0.13 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.21 3ip3 s ILE 234 CO 0.01 0.38 0.19 1.51 0.00 0.00 0.00 174.94 177.04 3ip3 s ASP 235 N 0.44 -0.06 -0.58 3.58 -4.77 0.15 -1.43 116.67 114.01 3ip3 s ASP 235 Ca -0.12 -0.05 0.01 0.00 -3.30 0.00 0.00 52.55 49.09 3ip3 s ASP 235 Cb -0.14 0.26 0.54 0.00 -1.09 0.00 0.00 42.92 42.49 3ip3 s ASP 235 CO 0.04 -0.35 1.99 -1.22 0.70 0.00 0.00 175.17 176.33 3ip3 n TYR 236 N 1.62 3.17 -0.72 2.11 0.53 0.62 -1.60 117.16 122.90 3ip3 n TYR 236 Ca -0.21 -2.54 0.07 0.00 -1.02 0.00 0.00 57.90 54.20 3ip3 n TYR 236 Cb 0.56 -1.25 0.16 0.00 -1.03 0.00 0.00 39.34 37.79 3ip3 n TYR 236 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3ip3 n LEU 237 N -1.02 2.93 -4.64 7.72 4.77 -1.19 -4.02 117.00 121.56 3ip3 n LEU 237 Ca 0.62 -2.71 -0.42 0.00 -0.03 0.00 0.00 56.01 53.47 3ip3 n LEU 237 Cb 1.09 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 3ip3 n LEU 237 CO 0.72 0.67 1.69 -0.60 -1.33 0.00 0.00 177.39 178.54 3ip3 s ARG 238 N -2.24 3.73 0.65 3.23 3.52 -1.03 -4.91 118.95 121.90 3ip3 s ARG 238 Ca 0.29 2.34 -0.18 0.00 -0.13 0.00 0.00 55.73 58.06 3ip3 s ARG 238 Cb 0.23 -4.24 -0.01 0.00 -1.56 0.00 0.00 34.95 29.37 3ip3 s ARG 238 CO 0.07 -1.42 1.27 -2.30 -0.81 0.00 0.00 175.30 172.11 3ip3 n PRO 239 N 8.02 1.06 -0.35 5.12 -0.02 -1.26 -4.13 135.00 143.45 3ip3 n PRO 239 Ca 0.24 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 3ip3 n PRO 239 Cb 0.43 -2.51 0.20 0.00 -0.02 0.00 0.00 33.50 31.60 3ip3 n PRO 239 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ip3 h GLN 240 N 0.46 1.09 0.00 -0.52 1.08 -1.98 -1.04 115.11 114.19 3ip3 h GLN 240 Ca -0.51 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.63 3ip3 h GLN 240 Cb 1.34 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3ip3 h GLN 240 CO 0.52 0.72 0.00 0.41 -0.95 0.00 0.00 178.83 179.53 3ip3 n GLY 241 N -1.38 -1.04 3.72 3.46 0.00 -1.26 -4.85 105.19 103.83 3ip3 n GLY 241 Ca 0.15 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 3ip3 n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip3 n ALA 242 N -1.77 1.21 0.27 4.61 0.00 -0.40 -4.91 120.51 119.52 3ip3 n ALA 242 Ca 0.00 0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.68 3ip3 n ALA 242 Cb 0.12 -2.30 0.59 0.00 0.00 0.00 0.00 19.45 17.86 3ip3 n ALA 242 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ip3 h PRO 243 N 1.05 0.00 -4.90 0.00 0.13 -1.89 -3.45 132.00 122.95 3ip3 h PRO 243 Ca -0.50 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.29 3ip3 h PRO 243 Cb 1.32 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 3ip3 h PRO 243 CO 0.55 0.01 -0.64 0.95 -0.23 0.00 0.00 178.00 178.64 3ip3 s THR 244 N -3.58 0.70 -1.14 1.56 -4.23 -1.26 -5.06 115.64 102.63 3ip3 s THR 244 Ca 0.02 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.82 3ip3 s THR 244 Cb 0.08 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.83 3ip3 s THR 244 CO 0.57 -0.25 1.90 0.00 -0.54 0.00 0.00 174.62 176.30 3ip3 n HIS 245 N -0.37 0.00 -4.05 3.99 1.44 -1.26 -4.86 115.22 110.11 3ip3 n HIS 245 Ca -0.04 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.60 3ip3 n HIS 245 Cb 0.65 -0.41 -0.10 0.00 0.12 0.00 0.00 29.99 30.25 3ip3 n HIS 245 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 3ip3 s ASP 246 N -2.87 0.42 -0.47 4.39 -4.77 -1.26 -1.73 116.67 110.39 3ip3 s ASP 246 Ca 0.18 -0.93 0.06 0.00 -3.30 0.00 0.00 52.55 48.56 3ip3 s ASP 246 Cb 0.19 0.22 0.19 0.00 -1.09 0.00 0.00 42.92 42.44 3ip3 s ASP 246 CO 0.53 -0.61 0.59 -0.67 0.70 0.00 0.00 175.17 175.70 3ip3 n ASP 247 N 0.12 -2.04 -4.77 2.11 2.03 -0.74 -5.01 116.55 108.25 3ip3 n ASP 247 Ca -0.14 -2.75 -0.39 0.00 0.52 0.00 0.00 54.79 52.03 3ip3 n ASP 247 Cb 0.61 0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 41.69 3ip3 n ASP 247 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3ip3 s ASP 248 N 0.13 7.20 0.22 1.67 1.01 -1.26 -3.54 116.67 122.10 3ip3 s ASP 248 Ca 0.32 1.42 0.02 0.00 0.71 0.00 0.00 52.55 55.02 3ip3 s ASP 248 Cb 0.05 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 3ip3 s ASP 248 CO -0.13 0.14 0.24 0.54 0.21 0.00 0.00 175.17 176.17 3ip3 n ARG 249 N 2.24 0.35 -3.64 8.23 1.74 -0.91 -4.28 116.66 120.39 3ip3 n ARG 249 Ca -0.06 -2.02 -0.03 0.00 -0.77 0.00 0.00 57.85 54.97 3ip3 n ARG 249 Cb 0.50 1.77 -0.07 0.00 -1.02 0.00 0.00 32.46 33.65 3ip3 n ARG 249 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3ip3 s ARG 251 N -2.73 0.40 -0.22 5.56 3.52 0.10 -1.08 118.95 124.51 3ip3 s ARG 251 Ca 0.23 0.67 0.02 0.00 -0.13 0.00 0.00 55.73 56.52 3ip3 s ARG 251 Cb 0.00 0.09 0.04 0.00 -1.56 0.00 0.00 34.95 33.53 3ip3 s ARG 251 CO 0.16 -0.08 -0.13 0.42 -0.81 0.00 0.00 175.30 174.86 3ip3 s ILE 252 N 1.24 1.99 -0.24 4.11 1.01 0.17 -0.65 121.20 128.83 3ip3 s ILE 252 Ca -0.08 -1.26 -0.05 0.00 0.00 0.00 0.00 60.65 59.26 3ip3 s ILE 252 Cb -0.04 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3ip3 s ILE 252 CO -0.14 0.19 0.01 -0.69 0.00 0.00 0.00 174.94 174.31 3ip3 s VAL 253 N 1.24 3.76 0.51 2.92 1.01 0.90 -1.34 120.40 129.40 3ip3 s VAL 253 Ca -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3ip3 s VAL 253 Cb -0.17 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3ip3 s VAL 253 CO -0.08 0.36 0.01 -0.83 0.00 0.00 0.00 175.10 174.56 3ip3 s GLY 254 N 1.53 3.03 0.55 4.51 0.00 -0.18 0.26 107.32 117.03 3ip3 s GLY 254 Ca 0.06 -0.33 0.33 0.00 0.00 0.00 0.00 44.72 44.78 3ip3 s GLY 254 CO -0.00 -2.19 2.01 -0.91 0.00 0.00 0.00 173.10 172.01 3ip3 h THR 255 N 1.35 0.08 -0.00 0.90 1.35 0.20 -3.29 112.91 113.51 3ip3 h THR 255 Ca -0.44 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3ip3 h THR 255 Cb 1.32 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3ip3 h THR 255 CO 0.73 0.03 -0.05 0.54 -0.25 0.00 0.00 175.52 176.52 3ip3 n ARG 256 N -3.15 5.95 -3.87 4.72 1.74 -0.13 -4.94 116.66 116.99 3ip3 n ARG 256 Ca 0.00 -0.05 0.03 0.00 -0.77 0.00 0.00 57.85 57.06 3ip3 n ARG 256 Cb 0.29 -0.60 0.01 0.00 -1.02 0.00 0.00 32.46 31.14 3ip3 n ARG 256 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ip3 s GLY 257 N -1.02 -0.26 -0.05 -0.13 0.00 -1.18 -4.58 107.32 100.10 3ip3 s GLY 257 Ca 0.01 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.07 3ip3 s GLY 257 CO 0.04 4.25 -0.08 -0.42 0.00 0.00 0.00 173.10 176.89 3ip3 s ILE 258 N -2.08 0.83 -0.10 0.90 1.01 0.44 -1.01 121.20 121.19 3ip3 s ILE 258 Ca 0.26 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3ip3 s ILE 258 Cb 0.02 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 3ip3 s ILE 258 CO -0.03 0.29 -0.12 -0.69 0.00 0.00 0.00 174.94 174.39 3ip3 s VAL 259 N 0.78 3.16 -0.05 2.92 1.01 -0.45 -0.26 120.40 127.51 3ip3 s VAL 259 Ca -0.13 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3ip3 s VAL 259 Cb -0.15 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3ip3 s VAL 259 CO 0.02 0.55 -0.04 -0.70 0.00 0.00 0.00 175.10 174.94 3ip3 s GLU 260 N -0.16 0.76 -0.30 2.72 2.12 -0.27 0.43 118.70 124.01 3ip3 s GLU 260 Ca -0.00 -0.07 -0.11 0.00 0.36 0.00 0.00 54.97 55.15 3ip3 s GLU 260 Cb -0.13 -0.82 -0.03 0.00 0.26 0.00 0.00 34.13 33.40 3ip3 s GLU 260 CO 0.03 -0.11 0.19 0.08 -0.54 0.00 0.00 175.26 174.92 3ip3 s VAL 261 N 1.02 5.15 -0.15 3.70 1.01 -1.26 -0.70 120.40 129.16 3ip3 s VAL 261 Ca -0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3ip3 s VAL 261 Cb -0.14 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.76 3ip3 s VAL 261 CO -0.01 0.16 0.40 -0.51 0.00 0.00 0.00 175.10 175.14 3ip3 s ILE 262 N 1.72 -0.01 -1.51 2.22 2.07 -0.12 -4.35 121.20 121.22 3ip3 s ILE 262 Ca 0.06 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.27 3ip3 s ILE 262 Cb -0.16 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 41.87 3ip3 s ILE 262 CO 0.10 0.01 0.73 0.59 -1.91 0.00 0.00 174.94 174.46 3ip3 n ASN 263 N 3.27 -6.04 -1.36 4.50 4.13 -1.26 -1.16 115.26 117.35 3ip3 n ASN 263 Ca -0.16 -0.36 -0.17 0.00 1.68 0.00 0.00 54.58 55.57 3ip3 n ASN 263 Cb 0.57 -4.85 -0.06 0.00 -1.54 0.00 0.00 39.78 33.89 3ip3 n ASN 263 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ip3 n GLU 264 N -4.23 -1.19 -4.35 3.52 1.02 -1.26 -4.98 120.64 109.16 3ip3 n GLU 264 Ca -0.08 1.06 -0.18 0.00 -0.02 0.00 0.00 57.16 57.94 3ip3 n GLU 264 Cb 0.60 -5.30 -0.10 0.00 -0.02 0.00 0.00 31.44 26.62 3ip3 n GLU 264 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ip3 s ARG 265 N -3.59 1.37 -0.04 3.49 0.52 -0.31 -4.64 118.95 115.74 3ip3 s ARG 265 Ca 0.00 -1.67 0.04 0.00 -0.52 0.00 0.00 55.73 53.58 3ip3 s ARG 265 Cb 0.00 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.60 3ip3 s ARG 265 CO 0.00 0.01 -0.15 0.08 0.02 0.00 0.00 175.30 175.26 3ip3 s VAL 266 N -3.20 1.29 0.00 3.52 1.01 -1.26 -0.95 120.40 120.81 3ip3 s VAL 266 Ca 0.26 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.67 3ip3 s VAL 266 Cb 0.04 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3ip3 s VAL 266 CO 0.08 0.38 -0.18 -0.36 0.00 0.00 0.00 175.10 175.02 3ip3 s PHE 267 N 0.15 1.57 -0.05 5.22 0.40 0.13 -1.25 117.98 124.15 3ip3 s PHE 267 Ca -0.05 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 3ip3 s PHE 267 Cb -0.12 -0.99 -0.00 0.00 0.51 0.00 0.00 43.02 42.42 3ip3 s PHE 267 CO 0.02 0.00 -0.20 -1.17 0.70 0.00 0.00 175.22 174.57 3ip3 s LEU 268 N -0.64 1.97 -0.18 -0.37 2.96 0.01 -1.11 118.68 121.33 3ip3 s LEU 268 Ca 0.06 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3ip3 s LEU 268 Cb -0.07 -1.13 0.03 0.00 0.50 0.00 0.00 46.19 45.51 3ip3 s LEU 268 CO 0.00 0.18 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.16 3ip3 s THR 269 N 0.01 1.86 0.00 3.68 2.01 0.64 -1.52 115.64 122.32 3ip3 s THR 269 Ca -0.05 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.06 3ip3 s THR 269 Cb -0.13 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.64 3ip3 s THR 269 CO 0.03 0.43 0.00 -0.90 -0.69 0.00 0.00 174.62 173.49 3ip3 n ASP 270 N 4.67 0.00 0.22 3.53 5.68 -0.60 -0.42 116.55 129.63 3ip3 n ASP 270 Ca -0.18 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.26 3ip3 n ASP 270 Cb 0.49 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.20 3ip3 n ASP 270 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3ip3 h GLU 271 N 0.00 0.00 -0.00 0.11 9.09 -1.98 0.53 114.58 122.33 3ip3 h GLU 271 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ip3 h GLU 271 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3ip3 h GLU 271 CO 0.00 0.00 -0.54 1.63 0.05 0.00 0.00 179.01 180.15 3ip3 n LYS 272 N -2.64 0.12 0.00 1.06 5.02 -1.26 -5.07 118.16 115.40 3ip3 n LYS 272 Ca -0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3ip3 n LYS 272 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3ip3 n LYS 272 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ip3 n GLY 273 N 1.48 0.38 3.19 0.72 0.00 0.18 -5.02 105.19 106.12 3ip3 n GLY 273 Ca 0.06 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 3ip3 n GLY 273 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ip3 s HIS 274 N 0.00 2.82 0.12 1.61 2.46 -1.26 -1.55 115.29 119.49 3ip3 s HIS 274 Ca 0.00 -1.35 -0.24 0.00 0.47 0.00 0.00 55.06 53.94 3ip3 s HIS 274 Cb 0.00 -1.95 0.07 0.00 -0.13 0.00 0.00 32.58 30.56 3ip3 s HIS 274 CO 0.00 -0.68 0.60 -0.98 -2.47 0.00 0.00 174.74 171.21 3ip3 s ARG 275 N 1.23 1.23 0.42 2.88 3.03 -0.57 -4.99 118.95 122.18 3ip3 s ARG 275 Ca 0.03 -0.36 -0.23 0.00 2.03 0.00 0.00 55.73 57.19 3ip3 s ARG 275 Cb -0.14 0.57 -0.09 0.00 -1.03 0.00 0.00 34.95 34.26 3ip3 s ARG 275 CO -0.08 -0.51 1.05 -2.00 -1.13 0.00 0.00 175.30 172.63 3ip3 s GLU 276 N -3.33 4.06 -0.04 3.89 2.12 -1.26 -0.81 118.70 123.34 3ip3 s GLU 276 Ca -0.01 1.47 0.05 0.00 0.36 0.00 0.00 54.97 56.84 3ip3 s GLU 276 Cb -0.01 -2.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 3ip3 s GLU 276 CO -0.09 -0.22 -0.18 0.08 -0.54 0.00 0.00 175.26 174.30 3ip3 s VAL 277 N -1.75 2.72 0.63 3.70 1.01 -0.38 -4.89 120.40 121.43 3ip3 s VAL 277 Ca 0.60 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 3ip3 s VAL 277 Cb -0.20 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3ip3 s VAL 277 CO 0.25 0.58 1.16 -2.16 0.00 0.00 0.00 175.10 174.93 3ip3 s PRO 278 N -0.73 2.85 -0.14 2.72 0.04 -1.26 -4.52 135.00 133.96 3ip3 s PRO 278 Ca 0.11 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 3ip3 s PRO 278 Cb -0.10 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3ip3 s PRO 278 CO 0.00 -1.25 0.10 -0.51 0.04 0.00 0.00 177.00 175.38 3ip3 s LEU 279 N -4.45 4.13 1.14 -3.56 1.43 -1.26 -5.03 118.68 111.08 3ip3 s LEU 279 Ca 0.73 0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.99 3ip3 s LEU 279 Cb -0.26 -2.02 0.24 0.00 0.03 0.00 0.00 46.19 44.19 3ip3 s LEU 279 CO 0.36 0.31 0.85 1.33 0.23 0.00 0.00 176.35 179.43 3ip3 n VAL 280 N 2.62 0.00 -2.02 -1.59 0.24 -1.26 -4.96 118.33 111.35 3ip3 n VAL 280 Ca -0.18 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.34 61.33 3ip3 n VAL 280 Cb 0.54 -0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 31.97 3ip3 n VAL 280 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3ip3 s GLU 281 N -4.24 4.21 0.86 7.34 2.56 -1.26 -4.64 118.70 123.53 3ip3 s GLU 281 Ca 0.66 2.29 -0.12 0.00 0.00 0.00 0.00 54.97 57.80 3ip3 s GLU 281 Cb -0.23 -2.98 0.10 0.00 2.00 0.00 0.00 34.13 33.02 3ip3 s GLU 281 CO 0.65 -0.34 1.09 0.36 -0.56 0.00 0.00 175.26 176.46 3ip3 n LYS 282 N 0.57 -0.13 -2.29 4.30 2.85 -1.26 -4.78 118.16 117.42 3ip3 n LYS 282 Ca 0.01 0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.22 3ip3 n LYS 282 Cb 0.42 -2.34 -0.00 0.00 -0.65 0.00 0.00 35.03 32.45 3ip3 n LYS 282 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ip3 n GLY 283 N 0.55 2.98 3.04 2.58 0.00 -0.10 -5.00 105.19 109.24 3ip3 n GLY 283 Ca 0.12 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3ip3 n GLY 283 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ip3 s GLN 284 N -2.74 0.19 0.16 1.61 -0.44 -1.26 -4.76 119.66 112.41 3ip3 s GLN 284 Ca 0.10 0.63 -0.14 0.00 -2.50 0.00 0.00 55.36 53.45 3ip3 s GLN 284 Cb -0.01 -0.08 0.05 0.00 -1.64 0.00 0.00 33.01 31.33 3ip3 s GLN 284 CO 0.06 -0.21 1.77 0.97 0.50 0.00 0.00 175.29 178.38 3ip3 h ILE 285 N 6.03 1.18 -0.11 -2.34 2.10 -1.87 -1.38 117.51 121.13 3ip3 h ILE 285 Ca -0.30 -0.47 -0.16 0.00 1.08 0.00 0.00 64.86 65.01 3ip3 h ILE 285 Cb 1.14 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 3ip3 h ILE 285 CO 0.27 0.19 -0.63 0.15 -1.08 0.00 0.00 178.15 177.06 3ip3 h PHE 286 N 0.69 0.52 -0.75 2.19 3.57 -1.91 0.53 116.94 121.77 3ip3 h PHE 286 Ca 0.18 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3ip3 h PHE 286 Cb 0.06 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3ip3 h PHE 286 CO -0.01 0.92 0.48 0.93 -2.23 0.00 0.00 178.31 178.40 3ip3 h GLU 287 N 0.29 0.91 0.00 1.11 5.08 -1.68 0.16 114.58 120.45 3ip3 h GLU 287 Ca -0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3ip3 h GLU 287 Cb 1.17 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3ip3 h GLU 287 CO 0.11 0.60 -0.31 0.22 -1.00 0.00 0.00 179.01 178.63 3ip3 h ASP 288 N 0.93 0.00 0.05 1.42 3.58 -0.76 -2.24 116.42 119.40 3ip3 h ASP 288 Ca 0.30 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 3ip3 h ASP 288 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3ip3 h ASP 288 CO -0.11 0.31 -0.02 0.15 -2.88 0.00 0.00 179.24 176.68 3ip3 h PHE 289 N 0.00 -0.06 -0.54 0.28 3.04 -0.06 -3.21 116.94 116.40 3ip3 h PHE 289 Ca -0.00 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 3ip3 h PHE 289 Cb 0.65 0.02 -0.07 0.00 2.56 0.00 0.00 35.95 39.11 3ip3 h PHE 289 CO 0.00 0.56 0.12 -0.07 -2.02 0.00 0.00 178.31 176.90 3ip3 h LEU 290 N -0.81 0.03 -1.09 0.59 3.38 -0.62 -1.25 115.31 115.54 3ip3 h LEU 290 Ca -0.01 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3ip3 h LEU 290 Cb 0.65 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 3ip3 h LEU 290 CO 0.01 0.03 0.61 0.03 0.09 0.00 0.00 178.44 179.22 3ip3 h ARG 291 N 0.26 0.82 -0.11 1.13 3.08 -1.52 -2.00 114.38 116.04 3ip3 h ARG 291 Ca 0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3ip3 h ARG 291 Cb 0.38 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3ip3 h ARG 291 CO -0.35 0.54 0.07 1.49 -1.07 0.00 0.00 179.97 180.65 3ip3 h GLU 292 N 0.84 0.15 -0.51 0.04 4.57 -0.96 -1.10 114.58 117.61 3ip3 h GLU 292 Ca 0.51 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.64 3ip3 h GLU 292 Cb 0.68 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3ip3 h GLU 292 CO -0.28 0.11 0.18 0.82 -1.18 0.00 0.00 179.01 178.66 3ip3 h ILE 293 N 0.13 1.20 -0.29 2.32 1.08 -1.15 -2.63 117.51 118.17 3ip3 h ILE 293 Ca 0.04 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3ip3 h ILE 293 Cb 0.00 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 3ip3 h ILE 293 CO -0.01 0.25 0.00 0.54 -0.69 0.00 0.00 178.15 178.24 3ip3 n ARG 294 N -4.32 2.34 -0.99 2.37 1.74 -0.81 -4.91 116.66 112.07 3ip3 n ARG 294 Ca 0.04 -1.33 -0.02 0.00 -0.77 0.00 0.00 57.85 55.77 3ip3 n ARG 294 Cb 0.18 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 3ip3 n ARG 294 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ip3 n GLY 295 N 0.61 0.18 0.00 -0.13 0.00 -0.99 -4.82 105.19 100.04 3ip3 n GLY 295 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3ip3 n GLY 295 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ip3 n GLN 296 N 0.62 0.24 0.00 1.61 6.02 -0.44 -4.98 117.38 120.45 3ip3 n GLN 296 Ca -0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3ip3 n GLN 296 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3ip3 n GLN 296 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ip3 n GLY 297 N 0.90 3.45 3.70 1.08 0.00 -1.21 -4.97 105.19 108.14 3ip3 n GLY 297 Ca 0.10 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3ip3 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip3 s LYS 298 N -2.35 4.50 0.00 1.61 -0.14 -1.26 -2.57 119.74 119.53 3ip3 s LYS 298 Ca 0.00 1.33 0.00 0.00 -1.36 0.00 0.00 55.97 55.94 3ip3 s LYS 298 Cb 0.00 -3.49 0.00 0.00 -1.68 0.00 0.00 37.83 32.66 3ip3 s LYS 298 CO 0.00 -0.12 0.00 0.00 -0.76 0.00 0.00 175.35 174.47 3ip3 n VAL 301 N -0.84 0.00 -2.02 0.00 0.31 -1.26 -5.00 118.33 109.52 3ip3 n VAL 301 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 3ip3 n VAL 301 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3ip3 n VAL 301 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3ip3 s THR 302 N 0.00 4.10 0.43 2.52 -4.23 -1.26 -4.83 115.64 112.37 3ip3 s THR 302 Ca 0.00 0.91 0.09 0.00 -1.18 0.00 0.00 61.69 61.51 3ip3 s THR 302 Cb 0.00 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.59 3ip3 s THR 302 CO 0.00 -0.67 2.07 -0.65 -0.54 0.00 0.00 174.62 174.83 3ip3 h PRO 303 N 0.27 0.43 -0.10 3.99 0.11 -1.95 -0.57 132.00 134.18 3ip3 h PRO 303 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3ip3 h PRO 303 Cb 1.21 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3ip3 h PRO 303 CO 0.59 0.30 -0.13 0.93 -0.21 0.00 0.00 178.00 179.48 3ip3 h GLU 304 N 0.45 -0.16 -0.39 1.05 3.07 -1.92 -1.38 114.58 115.30 3ip3 h GLU 304 Ca 0.12 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.06 3ip3 h GLU 304 Cb -0.03 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 3ip3 h GLU 304 CO -0.02 -0.11 0.02 -0.44 -1.40 0.00 0.00 179.01 177.06 3ip3 h ASP 305 N -0.17 -0.11 0.17 1.42 3.32 -1.70 0.08 116.42 119.44 3ip3 h ASP 305 Ca 0.08 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3ip3 h ASP 305 Cb 0.28 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ip3 h ASP 305 CO -0.20 -0.02 -0.15 0.28 -1.72 0.00 0.00 179.24 177.44 3ip3 h SER 306 N 0.13 0.00 0.00 6.45 0.02 -0.81 -0.84 113.55 118.50 3ip3 h SER 306 Ca 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3ip3 h SER 306 Cb 0.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3ip3 h SER 306 CO -0.30 0.15 -0.09 0.40 -1.14 0.00 0.00 176.83 175.85 3ip3 h ILE 307 N 0.00 1.23 -0.27 3.27 2.04 -0.70 -3.18 117.51 119.91 3ip3 h ILE 307 Ca -0.00 -1.96 0.04 0.00 1.00 0.00 0.00 64.86 63.95 3ip3 h ILE 307 Cb 0.27 2.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 3ip3 h ILE 307 CO 0.02 0.42 0.02 0.25 0.00 0.00 0.00 178.15 178.85 3ip3 h LEU 308 N -1.00 -0.07 -0.88 1.44 5.85 -0.84 -0.73 115.31 119.08 3ip3 h LEU 308 Ca -0.02 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 3ip3 h LEU 308 Cb 0.75 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3ip3 h LEU 308 CO -0.01 -0.00 -0.18 0.71 -0.34 0.00 0.00 178.44 178.62 3ip3 h THR 309 N 0.10 1.26 -0.68 1.05 1.35 -1.32 0.54 112.91 115.21 3ip3 h THR 309 Ca 0.13 -1.21 -0.05 0.00 -0.55 0.00 0.00 66.41 64.73 3ip3 h THR 309 Cb 0.15 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.73 3ip3 h THR 309 CO -0.20 0.40 0.23 0.74 -0.25 0.00 0.00 175.52 176.44 3ip3 h THR 310 N 0.57 1.24 -0.09 6.82 2.02 -1.48 -0.61 112.91 121.38 3ip3 h THR 310 Ca 0.09 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3ip3 h THR 310 Cb 0.62 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3ip3 h THR 310 CO 0.04 0.32 0.02 -0.08 0.37 0.00 0.00 175.52 176.20 3ip3 h GLU 311 N 1.00 0.06 -0.75 6.66 4.81 0.26 -1.32 114.58 125.30 3ip3 h GLU 311 Ca 0.22 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3ip3 h GLU 311 Cb 0.26 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3ip3 h GLU 311 CO -0.01 0.04 0.34 0.82 -0.73 0.00 0.00 179.01 179.47 3ip3 h ILE 312 N 0.06 1.24 -0.48 2.32 2.04 -0.80 0.21 117.51 122.10 3ip3 h ILE 312 Ca 0.04 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3ip3 h ILE 312 Cb 0.02 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3ip3 h ILE 312 CO -0.04 0.29 0.13 0.00 0.00 0.00 0.00 178.15 178.53 3ip3 h ALA 313 N 1.30 1.33 0.09 1.87 0.00 -0.83 0.52 119.26 123.54 3ip3 h ALA 313 Ca 0.26 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 3ip3 h ALA 313 Cb 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ip3 h ALA 313 CO -0.03 0.48 -1.15 -0.07 0.00 0.00 0.00 179.25 178.48 3ip3 h LEU 314 N 0.70 0.54 -1.07 0.00 3.38 -0.72 -1.91 115.31 116.21 3ip3 h LEU 314 Ca 0.16 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.63 3ip3 h LEU 314 Cb 0.24 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3ip3 h LEU 314 CO -0.00 1.36 0.63 0.11 0.09 0.00 0.00 178.44 180.62 3ip3 h LYS 315 N 0.15 1.22 -0.04 1.13 6.56 -0.19 -0.57 116.57 124.84 3ip3 h LYS 315 Ca -0.13 -0.07 -0.24 0.00 -1.06 0.00 0.00 60.65 59.15 3ip3 h LYS 315 Cb 1.84 -0.28 0.01 0.00 -0.57 0.00 0.00 32.23 33.24 3ip3 h LYS 315 CO 0.20 0.81 -0.93 0.00 -2.06 0.00 0.00 179.45 177.47 3ip3 h ALA 316 N 1.42 0.29 -0.54 3.86 0.00 -0.88 -2.21 119.26 121.20 3ip3 h ALA 316 Ca 0.35 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ip3 h ALA 316 Cb -0.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ip3 h ALA 316 CO -0.08 0.74 0.34 -0.09 0.00 0.00 0.00 179.25 180.16 3ip3 h ARG 317 N 0.36 0.73 -0.46 0.00 2.43 -1.12 -1.66 114.38 114.65 3ip3 h ARG 317 Ca -0.09 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3ip3 h ARG 317 Cb 1.56 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 3ip3 h ARG 317 CO 0.17 0.51 0.19 1.25 -1.51 0.00 0.00 179.97 180.58 3ip3 h LEU 318 N 0.73 0.23 -0.60 3.80 5.85 -1.05 0.82 115.31 125.09 3ip3 h LEU 318 Ca 0.20 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.07 3ip3 h LEU 318 Cb -0.05 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3ip3 h LEU 318 CO -0.04 0.17 0.16 -1.28 -0.34 0.00 0.00 178.44 177.10 3ip3 h SER 319 N 0.38 0.07 0.75 1.25 0.87 -1.07 -1.47 113.55 114.32 3ip3 h SER 319 Ca 0.21 0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.75 3ip3 h SER 319 Cb 0.18 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3ip3 h SER 319 CO -0.19 0.04 -0.57 0.00 -0.53 0.00 0.00 176.83 175.58 3ip3 h ALA 320 N 1.46 0.92 0.00 6.23 0.00 -0.56 0.44 119.26 127.75 3ip3 h ALA 320 Ca 0.31 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ip3 h ALA 320 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ip3 h ALA 320 CO -0.37 0.72 -0.29 -0.44 0.00 0.00 0.00 179.25 178.86 3ip3 h ASP 321 N 0.00 0.00 0.00 0.00 3.32 -0.49 -3.38 116.42 115.86 3ip3 h ASP 321 Ca -0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ip3 h ASP 321 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3ip3 h ASP 321 CO 0.07 0.02 -0.64 0.35 -1.72 0.00 0.00 179.24 177.33 3ip3 n THR 322 N -2.57 0.00 -1.22 0.35 -2.24 -0.59 -5.02 114.28 103.00 3ip3 n THR 322 Ca 0.04 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 3ip3 n THR 322 Cb 0.48 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 3ip3 n THR 322 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ip3 n GLY 323 N 1.68 0.93 3.74 3.38 0.00 0.15 -5.02 105.19 110.04 3ip3 n GLY 323 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3ip3 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ip3 s GLN 324 N -2.39 2.87 0.07 1.61 -1.52 -1.17 -5.05 119.66 114.08 3ip3 s GLN 324 Ca 0.00 -0.62 -0.30 0.00 -1.95 0.00 0.00 55.36 52.49 3ip3 s GLN 324 Cb 0.00 -2.73 -0.09 0.00 -0.22 0.00 0.00 33.01 29.97 3ip3 s GLN 324 CO 0.00 0.61 1.86 0.42 -0.25 0.00 0.00 175.29 177.93 3ip3 s ILE 325 N -1.22 2.86 -0.20 1.08 1.01 -1.26 -4.45 121.20 119.03 3ip3 s ILE 325 Ca 0.24 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 3ip3 s ILE 325 Cb -0.12 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3ip3 s ILE 325 CO 0.15 -0.01 0.03 -0.69 0.00 0.00 0.00 174.94 174.43 3ip3 s VAL 326 N 3.57 4.31 0.19 2.92 1.01 0.21 -4.97 120.40 127.64 3ip3 s VAL 326 Ca 0.83 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.36 3ip3 s VAL 326 Cb -0.43 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 3ip3 s VAL 326 CO 0.38 0.43 0.79 -0.76 0.00 0.00 0.00 175.10 175.94 3ip3 s LEU 327 N 0.81 4.56 0.00 3.92 1.43 -1.26 -1.10 118.68 127.03 3ip3 s LEU 327 Ca 0.02 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 3ip3 s LEU 327 Cb -0.14 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3ip3 s LEU 327 CO 0.02 0.17 0.44 -0.38 0.23 0.00 0.00 176.35 176.83