#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4q s SER 2 N 0.00 6.70 0.08 4.31 1.04 -1.26 -4.95 113.70 119.62 1i4q s SER 2 Ca 0.00 1.59 -0.30 0.00 0.48 0.00 0.00 55.95 57.72 1i4q s SER 2 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1i4q s SER 2 CO 0.00 -0.52 0.96 -1.58 0.98 0.00 0.00 173.24 173.08 1i4q s GLN 3 N -3.83 4.66 0.62 4.02 0.74 -0.79 -4.93 119.66 120.14 1i4q s GLN 3 Ca 0.59 1.44 -0.17 0.00 0.05 0.00 0.00 55.36 57.27 1i4q s GLN 3 Cb -0.10 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 1i4q s GLN 3 CO 0.27 0.14 1.14 -1.25 -0.55 0.00 0.00 175.29 175.04 1i4q s PRO 4 N 0.27 2.94 1.12 1.67 0.04 -1.26 -4.62 135.00 135.15 1i4q s PRO 4 Ca 0.48 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 1i4q s PRO 4 Cb -0.23 -1.95 0.24 0.00 0.04 0.00 0.00 34.50 32.60 1i4q s PRO 4 CO 0.29 -1.17 0.91 -0.25 0.04 0.00 0.00 177.00 176.82 1i4q n ASP 5 N -1.95 -1.43 -4.75 6.66 10.43 -1.26 -4.90 116.55 119.35 1i4q n ASP 5 Ca 0.12 -0.03 -0.41 0.00 2.57 0.00 0.00 54.79 57.03 1i4q n ASP 5 Cb 0.51 -1.27 -0.02 0.00 1.84 0.00 0.00 41.12 42.18 1i4q n ASP 5 CO 0.00 0.00 0.00 -2.84 -1.07 0.00 0.00 177.20 173.29 1i4q s PRO 6 N -4.32 4.23 0.48 -0.24 0.02 -1.26 -5.00 135.00 128.92 1i4q s PRO 6 Ca 0.67 2.37 -0.19 0.00 0.02 0.00 0.00 61.00 63.87 1i4q s PRO 6 Cb -0.24 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.12 1i4q s PRO 6 CO 0.64 -0.46 0.98 0.95 -0.33 0.00 0.00 177.00 178.79 1i4q s THR 7 N -0.17 4.37 0.42 0.99 -4.23 -1.26 -4.95 115.64 110.82 1i4q s THR 7 Ca 0.59 1.29 0.13 0.00 -1.18 0.00 0.00 61.69 62.53 1i4q s THR 7 Cb -0.43 -3.63 0.33 0.00 1.34 0.00 0.00 72.50 70.11 1i4q s THR 7 CO 0.46 -0.50 1.96 1.55 -0.54 0.00 0.00 174.62 177.56 1i4q h PRO 8 N 1.33 0.43 0.00 3.99 0.13 -2.00 -2.86 132.00 133.02 1i4q h PRO 8 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1i4q h PRO 8 Cb 1.19 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i4q h PRO 8 CO 0.61 0.29 -0.33 0.38 -0.23 0.00 0.00 178.00 178.72 1i4q h ASP 9 N 0.45 0.00 1.46 1.44 2.03 -2.04 -3.36 116.42 116.40 1i4q h ASP 9 Ca 0.31 -0.03 -0.07 0.00 -0.73 0.00 0.00 57.03 56.51 1i4q h ASP 9 Cb 0.60 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1i4q h ASP 9 CO -0.09 0.01 -0.56 1.05 -1.03 0.00 0.00 179.24 178.62 1i4q h GLU 10 N 0.00 0.00 -6.72 4.15 4.11 -1.90 -3.47 114.58 110.76 1i4q h GLU 10 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1i4q h GLU 10 Cb 0.92 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.24 1i4q h GLU 10 CO 0.00 0.25 0.84 -0.51 0.07 0.00 0.00 179.01 179.66 1i4q s LEU 11 N -6.13 4.37 0.24 3.06 1.43 -1.25 -4.94 118.68 115.46 1i4q s LEU 11 Ca 0.03 2.75 -0.31 0.00 -1.03 0.00 0.00 54.13 55.57 1i4q s LEU 11 Cb 0.07 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.57 1i4q s LEU 11 CO 0.74 -0.81 1.56 -1.00 0.23 0.00 0.00 176.35 177.07 1i4q s HIS 12 N 0.36 2.91 -0.21 0.29 3.76 -1.26 -5.00 115.29 116.14 1i4q s HIS 12 Ca 0.64 0.77 -0.08 0.00 -0.15 0.00 0.00 55.06 56.24 1i4q s HIS 12 Cb -0.45 -3.98 -0.04 0.00 1.11 0.00 0.00 32.58 29.23 1i4q s HIS 12 CO 0.41 -3.39 0.07 0.15 -0.85 0.00 0.00 174.74 171.13 1i4q s LYS 13 N 0.06 3.88 0.49 1.40 1.02 -1.26 -4.52 119.74 120.82 1i4q s LYS 13 Ca 0.65 -0.38 0.22 0.00 0.02 0.00 0.00 55.97 56.48 1i4q s LYS 13 Cb -0.46 -3.27 1.28 0.00 -0.52 0.00 0.00 37.83 34.87 1i4q s LYS 13 CO 0.41 0.12 2.05 0.66 -0.92 0.00 0.00 175.35 177.67 1i4q h SER 14 N 7.22 0.00 0.48 2.83 4.64 -1.46 0.05 113.55 127.31 1i4q h SER 14 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1i4q h SER 14 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1i4q h SER 14 CO 0.66 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 175.22 1i4q n SER 15 N -3.96 0.44 -0.83 4.97 3.41 -1.26 -1.27 113.62 115.13 1i4q n SER 15 Ca -0.02 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.31 1i4q n SER 15 Cb 0.23 -0.72 0.12 0.00 -0.26 0.00 0.00 64.21 63.58 1i4q n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i4q n GLU 16 N -2.01 1.87 -3.65 4.33 1.02 -0.00 -4.86 120.64 117.33 1i4q n GLU 16 Ca 0.02 -1.80 -0.38 0.00 -0.02 0.00 0.00 57.16 54.98 1i4q n GLU 16 Cb 0.16 -1.38 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 1i4q n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1i4q s PHE 17 N -1.46 3.17 -2.26 -0.32 5.36 -0.40 -1.92 117.98 120.15 1i4q s PHE 17 Ca 0.26 -0.24 0.19 0.00 -0.96 0.00 0.00 56.93 56.17 1i4q s PHE 17 Cb 0.17 -2.34 0.18 0.00 -0.34 0.00 0.00 43.02 40.69 1i4q s PHE 17 CO 0.24 -0.31 1.13 2.41 -1.46 0.00 0.00 175.22 177.23 1i4q n THR 18 N 5.01 0.10 -0.81 0.12 -1.04 0.32 -4.94 114.28 113.04 1i4q n THR 18 Ca -0.14 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1i4q n THR 18 Cb 0.51 1.30 0.00 0.00 -1.82 0.00 0.00 70.33 70.32 1i4q n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i4q n GLY 19 N 1.07 -0.55 3.48 3.41 0.00 -1.20 -4.78 105.19 106.62 1i4q n GLY 19 Ca 0.12 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1i4q n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4q s THR 20 N -0.25 4.74 0.64 2.61 2.01 -1.26 -4.92 115.64 119.21 1i4q s THR 20 Ca 0.00 -0.17 0.38 0.00 0.31 0.00 0.00 61.69 62.20 1i4q s THR 20 Cb 0.00 -4.34 0.40 0.00 0.01 0.00 0.00 72.50 68.56 1i4q s THR 20 CO 0.00 -0.85 2.25 -0.03 -0.69 0.00 0.00 174.62 175.31 1i4q h MET 21 N 9.05 0.00 0.00 4.92 4.05 -1.16 -0.19 114.93 131.60 1i4q h MET 21 Ca -0.27 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1i4q h MET 21 Cb 1.09 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1i4q h MET 21 CO 0.98 0.00 -0.02 0.78 0.23 0.00 0.00 176.91 178.88 1i4q h GLY 22 N 0.00 0.00 2.00 1.39 0.00 -0.56 0.28 103.07 106.18 1i4q h GLY 22 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1i4q h GLY 22 CO -0.00 0.00 -0.19 3.43 0.00 0.00 0.00 176.54 179.78 1i4q h ASN 23 N 0.00 0.00 0.14 0.19 4.21 -1.31 -0.64 115.58 118.18 1i4q h ASN 23 Ca -0.00 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.24 1i4q h ASN 23 Cb 0.06 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1i4q h ASN 23 CO 0.00 0.19 -1.33 -0.03 -1.29 0.00 0.00 177.43 174.98 1i4q h MET 24 N 0.00 0.30 -0.77 0.81 1.85 -1.12 -3.34 114.93 112.67 1i4q h MET 24 Ca -0.00 -0.52 0.08 0.00 -0.61 0.00 0.00 59.70 58.65 1i4q h MET 24 Cb 0.69 0.19 -0.07 0.00 0.43 0.00 0.00 31.60 32.85 1i4q h MET 24 CO 0.02 1.25 0.43 -0.22 -0.40 0.00 0.00 176.91 178.00 1i4q h LYS 25 N -0.22 0.73 -0.77 0.39 3.64 -1.13 -1.13 116.57 118.07 1i4q h LYS 25 Ca -0.27 -0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.24 1i4q h LYS 25 Cb 1.82 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.42 1i4q h LYS 25 CO 0.12 0.49 0.52 -0.92 -2.27 0.00 0.00 179.45 177.39 1i4q h TYR 26 N 0.76 0.37 0.00 1.91 3.20 -1.23 -0.20 116.97 121.78 1i4q h TYR 26 Ca 0.36 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1i4q h TYR 26 Cb 0.28 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1i4q h TYR 26 CO -0.07 0.13 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.44 1i4q h LEU 27 N 0.30 0.00 -0.52 2.82 3.38 -1.32 -3.34 115.31 116.63 1i4q h LEU 27 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1i4q h LEU 27 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1i4q h LEU 27 CO -0.10 0.06 0.00 -1.22 0.09 0.00 0.00 178.44 177.27 1i4q n TYR 28 N -3.18 0.00 -2.82 1.13 4.02 -0.53 -4.72 117.16 111.06 1i4q n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1i4q n TYR 28 Cb 0.36 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.64 1i4q n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1i4q s ASP 29 N -0.19 6.21 -1.44 7.72 3.68 -0.20 -3.84 116.67 128.61 1i4q s ASP 29 Ca 0.00 -1.03 -0.06 0.00 2.13 0.00 0.00 52.55 53.59 1i4q s ASP 29 Cb 0.00 -2.43 0.01 0.00 -1.45 0.00 0.00 42.92 39.04 1i4q s ASP 29 CO 0.00 -1.46 0.26 -0.67 0.13 0.00 0.00 175.17 173.43 1i4q n ASP 30 N 7.82 -0.41 -3.73 -0.34 4.64 -1.26 -4.93 116.55 118.33 1i4q n ASP 30 Ca -0.00 -1.19 -0.23 0.00 -1.38 0.00 0.00 54.79 51.99 1i4q n ASP 30 Cb 0.46 -2.13 -0.18 0.00 -1.04 0.00 0.00 41.12 38.24 1i4q n ASP 30 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 1i4q s HIS 31 N -4.10 0.53 -0.27 -0.67 2.46 -1.26 -5.13 115.29 106.86 1i4q s HIS 31 Ca 0.09 -0.14 -0.31 0.00 0.47 0.00 0.00 55.06 55.16 1i4q s HIS 31 Cb -0.05 -0.74 0.18 0.00 -0.13 0.00 0.00 32.58 31.84 1i4q s HIS 31 CO 0.96 -0.33 1.32 1.52 -2.47 0.00 0.00 174.74 175.73 1i4q s TYR 32 N 2.02 -0.07 -0.11 3.88 1.13 -1.26 -4.63 117.35 118.31 1i4q s TYR 32 Ca 0.04 0.10 -0.12 0.00 -1.41 0.00 0.00 57.07 55.68 1i4q s TYR 32 Cb -0.13 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.18 1i4q s TYR 32 CO -0.05 -0.07 0.28 0.08 -2.51 0.00 0.00 175.55 173.27 1i4q s VAL 33 N -1.35 5.29 -0.03 -3.49 1.01 0.94 -4.94 120.40 117.82 1i4q s VAL 33 Ca 0.09 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1i4q s VAL 33 Cb -0.01 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1i4q s VAL 33 CO -0.06 0.50 -0.03 -0.55 0.00 0.00 0.00 175.10 174.96 1i4q s SER 34 N -0.30 0.65 -0.06 3.32 0.15 -1.26 -2.30 113.70 113.90 1i4q s SER 34 Ca 0.18 -0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.50 1i4q s SER 34 Cb -0.14 -0.25 0.05 0.00 -1.71 0.00 0.00 66.02 63.97 1i4q s SER 34 CO 0.06 -0.03 0.54 0.00 1.20 0.00 0.00 173.24 175.01 1i4q s ALA 35 N 0.61 -1.39 -0.04 5.45 0.00 -0.68 -4.96 121.76 120.74 1i4q s ALA 35 Ca -0.07 1.01 0.03 0.00 0.00 0.00 0.00 51.96 52.93 1i4q s ALA 35 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1i4q s ALA 35 CO -0.00 -0.32 -0.13 -0.08 0.00 0.00 0.00 175.76 175.22 1i4q s THR 36 N -1.06 1.16 -1.23 0.00 -1.32 -1.26 -0.26 115.64 111.67 1i4q s THR 36 Ca -0.11 -0.54 -0.00 0.00 -1.21 0.00 0.00 61.69 59.83 1i4q s THR 36 Cb -0.02 -1.02 -0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1i4q s THR 36 CO 0.07 0.35 0.91 0.29 -2.21 0.00 0.00 174.62 174.02 1i4q n LYS 37 N 3.38 -5.99 -4.01 7.08 5.02 -0.36 -4.96 118.16 118.33 1i4q n LYS 37 Ca -0.20 0.78 -0.22 0.00 -2.02 0.00 0.00 58.31 56.65 1i4q n LYS 37 Cb 0.53 -5.65 -0.05 0.00 -0.02 0.00 0.00 35.03 29.84 1i4q n LYS 37 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1i4q s VAL 38 N -3.46 3.46 -0.04 -0.18 -7.23 0.05 -4.78 120.40 108.23 1i4q s VAL 38 Ca 0.01 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1i4q s VAL 38 Cb -0.00 -3.11 0.02 0.00 0.56 0.00 0.00 36.38 33.85 1i4q s VAL 38 CO 0.76 -0.22 -0.04 -0.32 -0.31 0.00 0.00 175.10 174.97 1i4q s MET 39 N -3.89 0.69 0.45 4.82 1.75 -1.26 -0.78 119.30 121.08 1i4q s MET 39 Ca 0.38 -0.08 -0.23 0.00 -1.25 0.00 0.00 55.69 54.50 1i4q s MET 39 Cb -0.05 -0.72 -0.10 0.00 2.84 0.00 0.00 34.83 36.80 1i4q s MET 39 CO 0.24 -0.07 0.91 -1.13 -0.65 0.00 0.00 175.02 174.33 1i4q n SER 40 N 3.94 0.78 -0.02 1.11 3.41 -1.24 -4.73 113.62 116.86 1i4q n SER 40 Ca -0.25 0.98 0.01 0.00 -0.26 0.00 0.00 58.87 59.35 1i4q n SER 40 Cb 0.51 -1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.14 1i4q n SER 40 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1i4q n VAL 41 N -0.73 0.00 -3.75 -3.33 0.24 0.25 -4.91 118.33 106.09 1i4q n VAL 41 Ca 0.10 -0.45 -0.02 0.00 -2.04 0.00 0.00 64.34 61.93 1i4q n VAL 41 Cb 0.40 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.78 1i4q n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1i4q s ASP 42 N -1.02 -0.11 0.08 -1.34 2.15 -1.19 -5.02 116.67 110.22 1i4q s ASP 42 Ca 0.01 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.61 1i4q s ASP 42 Cb 0.02 0.39 -0.04 0.00 -0.30 0.00 0.00 42.92 42.99 1i4q s ASP 42 CO 0.09 -0.73 0.01 -0.54 -0.17 0.00 0.00 175.17 173.83 1i4q s LYS 43 N -2.82 0.72 0.00 4.34 1.02 -1.26 -0.08 119.74 121.66 1i4q s LYS 43 Ca 0.15 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1i4q s LYS 43 Cb 0.00 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1i4q s LYS 43 CO 0.01 -0.16 0.00 0.34 -0.92 0.00 0.00 175.35 174.62 1i4q n PHE 44 N 0.04 0.00 -2.70 3.18 -0.00 -1.26 -4.98 117.46 111.73 1i4q n PHE 44 Ca -0.12 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.09 1i4q n PHE 44 Cb 0.62 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 40.12 1i4q n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1i4q s LEU 45 N -2.72 3.41 0.53 -2.13 1.43 -1.26 -4.99 118.68 112.95 1i4q s LEU 45 Ca 0.00 0.37 0.20 0.00 -1.03 0.00 0.00 54.13 53.68 1i4q s LEU 45 Cb 0.00 -3.22 1.36 0.00 0.03 0.00 0.00 46.19 44.35 1i4q s LEU 45 CO 0.00 -0.94 2.10 0.00 0.23 0.00 0.00 176.35 177.75 1i4q h ALA 46 N 0.11 2.13 -0.63 4.21 0.00 -2.00 -2.65 119.26 120.43 1i4q h ALA 46 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i4q h ALA 46 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i4q h ALA 46 CO 0.58 -0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.21 1i4q n HIS 47 N -4.41 1.37 -4.47 0.00 1.44 -1.26 -4.58 115.22 103.30 1i4q n HIS 47 Ca 0.01 -0.56 -0.23 0.00 -2.01 0.00 0.00 57.72 54.93 1i4q n HIS 47 Cb 0.27 -0.21 -0.10 0.00 0.12 0.00 0.00 29.99 30.07 1i4q n HIS 47 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1i4q s ASP 48 N -0.88 3.25 -0.01 4.39 3.84 -1.00 -0.77 116.67 125.48 1i4q s ASP 48 Ca 0.49 -1.15 0.02 0.00 -0.00 0.00 0.00 52.55 51.91 1i4q s ASP 48 Cb 0.31 -0.26 -0.00 0.00 -1.38 0.00 0.00 42.92 41.59 1i4q s ASP 48 CO 0.25 -0.21 -0.07 -0.76 -0.00 0.00 0.00 175.17 174.37 1i4q s LEU 49 N -3.50 1.92 -0.11 2.11 1.43 -0.70 -4.49 118.68 115.33 1i4q s LEU 49 Ca 0.30 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1i4q s LEU 49 Cb 0.01 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.81 1i4q s LEU 49 CO 0.14 0.07 -0.10 -0.63 0.23 0.00 0.00 176.35 176.06 1i4q s ILE 50 N -0.02 3.40 0.14 -0.59 1.01 0.89 -0.99 121.20 125.05 1i4q s ILE 50 Ca 0.01 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.19 1i4q s ILE 50 Cb -0.05 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1i4q s ILE 50 CO -0.00 0.54 -0.22 -0.31 0.00 0.00 0.00 174.94 174.95 1i4q s TYR 51 N -0.06 2.00 -0.75 3.97 2.02 0.59 -0.59 117.35 124.52 1i4q s TYR 51 Ca -0.01 -0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 56.07 1i4q s TYR 51 Cb -0.14 -1.04 0.10 0.00 -0.40 0.00 0.00 41.96 40.48 1i4q s TYR 51 CO 0.03 0.33 0.99 -0.80 -1.57 0.00 0.00 175.55 174.53 1i4q s ASN 52 N -2.31 6.35 -0.10 2.29 0.01 -1.26 -0.97 114.94 118.95 1i4q s ASN 52 Ca 0.13 -1.46 0.00 0.00 -0.71 0.00 0.00 52.86 50.82 1i4q s ASN 52 Cb -0.08 -2.39 0.02 0.00 0.41 0.00 0.00 41.25 39.20 1i4q s ASN 52 CO 0.06 -1.25 -0.09 -0.63 -1.51 0.00 0.00 177.10 173.68 1i4q s ILE 53 N 3.34 1.06 -0.03 0.60 1.01 -0.79 -4.96 121.20 121.42 1i4q s ILE 53 Ca 0.25 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1i4q s ILE 53 Cb -0.13 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1i4q s ILE 53 CO 0.02 0.36 0.31 -0.44 0.00 0.00 0.00 174.94 175.19 1i4q s SER 54 N 1.40 6.64 -0.77 3.58 0.01 -1.26 -2.88 113.70 120.41 1i4q s SER 54 Ca -0.01 0.76 -0.26 0.00 1.31 0.00 0.00 55.95 57.75 1i4q s SER 54 Cb -0.13 -2.17 0.04 0.00 0.21 0.00 0.00 66.02 63.96 1i4q s SER 54 CO -0.05 0.34 1.27 -0.62 0.41 0.00 0.00 173.24 174.59 1i4q s ASP 55 N -1.17 6.22 0.15 2.44 2.15 0.57 -4.88 116.67 122.14 1i4q s ASP 55 Ca 0.22 -0.67 -0.22 0.00 0.43 0.00 0.00 52.55 52.31 1i4q s ASP 55 Cb -0.15 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1i4q s ASP 55 CO 0.11 -1.74 1.63 0.07 -0.17 0.00 0.00 175.17 175.07 1i4q h LYS 56 N 9.93 -0.24 0.00 4.34 -0.00 -1.96 -2.61 116.57 126.03 1i4q h LYS 56 Ca -0.21 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.46 1i4q h LYS 56 Cb 1.05 0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 1i4q h LYS 56 CO 1.29 -0.16 0.00 1.17 -0.00 0.00 0.00 179.45 181.75 1i4q n LYS 57 N -5.37 0.00 0.00 0.07 0.00 -1.26 -4.36 118.16 107.24 1i4q n LYS 57 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.33 1i4q n LYS 57 Cb 0.29 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.45 1i4q n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1i4q n LEU 58 N 0.00 0.00 -3.63 3.14 4.32 -1.26 -4.86 117.00 114.71 1i4q n LEU 58 Ca 0.00 0.30 -0.23 0.00 -0.02 0.00 0.00 56.01 56.06 1i4q n LEU 58 Cb 0.00 -0.30 0.07 0.00 -1.62 0.00 0.00 43.42 41.56 1i4q n LEU 58 CO 0.00 -0.25 0.16 1.17 -1.22 0.00 0.00 177.39 177.25 1i4q n LYS 59 N -1.30 -6.95 0.00 3.23 3.00 -0.99 -4.92 118.16 110.23 1i4q n LYS 59 Ca 0.02 0.77 0.12 0.00 -0.00 0.00 0.00 58.31 59.22 1i4q n LYS 59 Cb 0.04 -5.75 0.19 0.00 0.00 0.00 0.00 35.03 29.51 1i4q n LYS 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1i4q n ASN 60 N -3.02 0.58 -3.45 3.14 3.02 -1.26 -4.92 115.26 109.35 1i4q n ASN 60 Ca -0.08 -0.37 -0.11 0.00 -0.03 0.00 0.00 54.58 53.99 1i4q n ASN 60 Cb 0.59 0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 40.12 1i4q n ASN 60 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1i4q s TYR 61 N -3.00 -0.48 0.00 3.10 -0.85 -1.26 -4.21 117.35 110.64 1i4q s TYR 61 Ca 0.10 0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 1i4q s TYR 61 Cb 0.17 0.56 0.00 0.00 0.38 0.00 0.00 41.96 43.07 1i4q s TYR 61 CO 0.73 -0.78 0.08 -0.40 -1.52 0.00 0.00 175.55 173.65 1i4q n ASP 62 N -0.35 0.07 -3.86 -0.18 5.75 -0.75 -0.32 116.55 116.92 1i4q n ASP 62 Ca -0.15 -1.01 -0.20 0.00 -0.01 0.00 0.00 54.79 53.43 1i4q n ASP 62 Cb 0.64 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.57 1i4q n ASP 62 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1i4q s LYS 63 N -0.01 0.65 -0.11 0.11 1.02 -1.14 -1.88 119.74 118.39 1i4q s LYS 63 Ca 0.00 -0.03 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1i4q s LYS 63 Cb 0.00 -0.76 0.01 0.00 -0.52 0.00 0.00 37.83 36.56 1i4q s LYS 63 CO 0.00 -0.13 -0.17 0.08 -0.92 0.00 0.00 175.35 174.22 1i4q s VAL 64 N 1.09 1.59 -0.21 3.17 1.01 -0.14 -1.83 120.40 125.08 1i4q s VAL 64 Ca -0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1i4q s VAL 64 Cb -0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1i4q s VAL 64 CO -0.01 0.46 -0.01 -0.75 0.00 0.00 0.00 175.10 174.78 1i4q s LYS 65 N 0.89 3.54 -0.15 2.72 2.20 -0.66 -0.30 119.74 127.99 1i4q s LYS 65 Ca -0.08 -0.55 -0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1i4q s LYS 65 Cb -0.15 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1i4q s LYS 65 CO -0.00 -0.05 -0.14 -0.08 -0.36 0.00 0.00 175.35 174.72 1i4q s THR 66 N 1.15 2.86 0.01 3.43 -1.32 -0.16 -1.24 115.64 120.38 1i4q s THR 66 Ca 0.02 -0.71 -0.13 0.00 -1.21 0.00 0.00 61.69 59.66 1i4q s THR 66 Cb -0.14 -2.21 -0.06 0.00 -1.51 0.00 0.00 72.50 68.58 1i4q s THR 66 CO 0.01 0.51 0.39 -1.61 -2.21 0.00 0.00 174.62 171.72 1i4q s GLU 67 N 0.64 3.87 0.30 7.08 2.02 -0.36 -1.71 118.70 130.54 1i4q s GLU 67 Ca -0.07 0.35 0.10 0.00 0.02 0.00 0.00 54.97 55.36 1i4q s GLU 67 Cb -0.16 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1i4q s GLU 67 CO 0.03 0.67 -0.03 -0.51 0.02 0.00 0.00 175.26 175.44 1i4q s LEU 68 N -1.22 2.99 0.36 1.80 1.43 0.05 -1.75 118.68 122.33 1i4q s LEU 68 Ca 0.25 -0.87 0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1i4q s LEU 68 Cb -0.16 -1.44 0.96 0.00 0.03 0.00 0.00 46.19 45.58 1i4q s LEU 68 CO 0.14 -0.11 1.77 0.25 0.23 0.00 0.00 176.35 178.63 1i4q h LEU 69 N 1.91 0.58 -8.13 1.79 5.85 -0.63 -3.45 115.31 113.23 1i4q h LEU 69 Ca -0.43 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 1i4q h LEU 69 Cb 1.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1i4q h LEU 69 CO 0.63 0.14 0.11 0.54 -0.34 0.00 0.00 178.44 179.52 1i4q s ASN 70 N -5.31 0.07 0.30 1.25 2.20 -1.26 -5.05 114.94 107.14 1i4q s ASN 70 Ca -0.10 -1.02 -0.02 0.00 -0.94 0.00 0.00 52.86 50.78 1i4q s ASN 70 Cb 0.26 0.74 0.46 0.00 -2.00 0.00 0.00 41.25 40.71 1i4q s ASN 70 CO 0.80 -1.43 1.97 -0.08 -2.94 0.00 0.00 177.10 175.41 1i4q h GLU 71 N 2.07 1.07 -0.61 3.55 4.81 -1.88 -2.98 114.58 120.61 1i4q h GLU 71 Ca -0.27 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1i4q h GLU 71 Cb 1.25 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1i4q h GLU 71 CO 0.35 0.71 0.37 -0.44 -0.73 0.00 0.00 179.01 179.26 1i4q h ASP 72 N 1.10 0.59 -0.51 1.04 3.32 -1.97 -0.47 116.42 119.51 1i4q h ASP 72 Ca 0.31 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 1i4q h ASP 72 Cb -0.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1i4q h ASP 72 CO -0.07 0.40 0.14 -0.07 -1.72 0.00 0.00 179.24 177.92 1i4q h LEU 73 N 0.71 0.77 -0.29 1.55 3.38 -1.93 -1.24 115.31 118.26 1i4q h LEU 73 Ca 0.25 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1i4q h LEU 73 Cb 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1i4q h LEU 73 CO -0.12 0.79 0.07 0.00 0.09 0.00 0.00 178.44 179.27 1i4q h ALA 74 N 1.01 0.30 -0.66 1.53 0.00 -1.28 -2.36 119.26 117.80 1i4q h ALA 74 Ca 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1i4q h ALA 74 Cb 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1i4q h ALA 74 CO -0.00 -0.35 0.20 -0.22 0.00 0.00 0.00 179.25 178.88 1i4q h LYS 75 N 0.18 1.04 -0.72 0.00 1.63 -0.95 0.28 116.57 118.03 1i4q h LYS 75 Ca 0.13 -0.23 0.07 0.00 -0.85 0.00 0.00 60.65 59.77 1i4q h LYS 75 Cb 0.13 -0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 31.55 1i4q h LYS 75 CO -0.17 0.91 0.40 -0.22 -3.45 0.00 0.00 179.45 176.92 1i4q h LYS 76 N 0.97 0.69 0.00 1.90 3.64 -0.80 -3.05 116.57 119.92 1i4q h LYS 76 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1i4q h LYS 76 Cb 0.31 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1i4q h LYS 76 CO -0.00 0.46 -1.15 0.66 -2.27 0.00 0.00 179.45 177.14 1i4q n TYR 77 N -4.78 0.26 -0.31 1.91 4.02 -0.93 -4.62 117.16 112.71 1i4q n TYR 77 Ca 0.10 0.08 -0.07 0.00 -0.01 0.00 0.00 57.90 58.00 1i4q n TYR 77 Cb 0.21 -0.45 -0.05 0.00 -0.02 0.00 0.00 39.34 39.02 1i4q n TYR 77 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1i4q n LYS 78 N -2.02 -0.30 -0.77 -0.72 4.81 0.08 -1.07 118.16 118.17 1i4q n LYS 78 Ca 0.01 1.14 0.08 0.00 -0.87 0.00 0.00 58.31 58.67 1i4q n LYS 78 Cb 0.45 -1.68 0.37 0.00 0.02 0.00 0.00 35.03 34.20 1i4q n LYS 78 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i4q n ASP 79 N -4.98 5.27 -4.88 3.14 8.00 -1.26 -3.64 116.55 118.21 1i4q n ASP 79 Ca 0.03 -2.84 -0.33 0.00 0.71 0.00 0.00 54.79 52.36 1i4q n ASP 79 Cb 0.22 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.62 1i4q n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1i4q s GLU 80 N -2.57 3.76 -0.45 -1.24 0.41 -0.23 -5.01 118.70 113.36 1i4q s GLU 80 Ca 0.52 0.17 -0.25 0.00 -0.41 0.00 0.00 54.97 55.00 1i4q s GLU 80 Cb 0.39 -2.79 0.03 0.00 -1.78 0.00 0.00 34.13 29.98 1i4q s GLU 80 CO 0.17 0.41 0.88 0.08 -0.49 0.00 0.00 175.26 176.31 1i4q s VAL 81 N -1.67 4.53 0.40 2.63 1.01 -1.26 -4.41 120.40 121.63 1i4q s VAL 81 Ca 0.42 0.68 0.05 0.00 0.00 0.00 0.00 61.98 63.13 1i4q s VAL 81 Cb -0.12 -4.39 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 1i4q s VAL 81 CO 0.21 -0.78 0.03 0.68 0.00 0.00 0.00 175.10 175.25 1i4q s VAL 82 N 3.59 1.54 0.06 2.92 -7.23 0.04 -1.90 120.40 119.43 1i4q s VAL 82 Ca 0.35 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1i4q s VAL 82 Cb -0.11 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1i4q s VAL 82 CO 0.25 0.00 -0.11 -1.81 -0.31 0.00 0.00 175.10 173.12 1i4q s ASP 83 N -3.67 4.32 0.02 4.85 1.01 0.63 -0.77 116.67 123.05 1i4q s ASP 83 Ca 0.30 -0.33 0.07 0.00 0.71 0.00 0.00 52.55 53.30 1i4q s ASP 83 Cb 0.08 -0.85 -0.02 0.00 1.01 0.00 0.00 42.92 43.14 1i4q s ASP 83 CO 0.15 0.23 -0.20 -0.69 0.21 0.00 0.00 175.17 174.87 1i4q s VAL 84 N -1.08 1.56 -0.30 -1.27 1.01 0.64 -1.85 120.40 119.11 1i4q s VAL 84 Ca 0.18 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1i4q s VAL 84 Cb -0.11 -1.33 0.13 0.00 0.00 0.00 0.00 36.38 35.07 1i4q s VAL 84 CO 0.10 0.29 0.66 -0.47 0.00 0.00 0.00 175.10 175.68 1i4q s TYR 85 N -0.65 -1.33 0.00 5.22 5.04 -0.21 -1.69 117.35 123.74 1i4q s TYR 85 Ca 0.07 2.30 -0.29 0.00 -2.44 0.00 0.00 57.07 56.72 1i4q s TYR 85 Cb -0.08 0.80 0.10 0.00 0.35 0.00 0.00 41.96 43.13 1i4q s TYR 85 CO 0.01 -0.66 1.27 0.20 -1.34 0.00 0.00 175.55 175.02 1i4q s GLY 86 N 2.87 -0.21 -0.28 8.97 0.00 -0.97 -4.36 107.32 113.34 1i4q s GLY 86 Ca -0.06 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 1i4q s GLY 86 CO -0.19 3.39 0.40 -0.45 0.00 0.00 0.00 173.10 176.25 1i4q s SER 87 N -3.48 6.27 0.35 1.64 0.15 -1.26 -0.04 113.70 117.33 1i4q s SER 87 Ca 0.23 0.24 0.02 0.00 0.70 0.00 0.00 55.95 57.14 1i4q s SER 87 Cb 0.01 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1i4q s SER 87 CO -0.01 -0.24 0.53 0.54 1.20 0.00 0.00 173.24 175.26 1i4q s ASN 88 N 1.65 6.19 0.06 5.45 4.22 -1.26 -4.54 114.94 126.70 1i4q s ASN 88 Ca 0.16 0.30 -0.03 0.00 -2.14 0.00 0.00 52.86 51.14 1i4q s ASN 88 Cb -0.16 -1.84 -0.03 0.00 1.28 0.00 0.00 41.25 40.50 1i4q s ASN 88 CO 0.10 -0.34 0.02 -0.72 -2.04 0.00 0.00 177.10 174.13 1i4q s TYR 89 N -2.29 0.43 -0.02 1.54 -0.85 -0.28 -4.95 117.35 110.93 1i4q s TYR 89 Ca 0.41 -0.94 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 1i4q s TYR 89 Cb -0.10 -0.31 -0.02 0.00 0.38 0.00 0.00 41.96 41.92 1i4q s TYR 89 CO 0.35 -0.42 -0.00 0.66 -1.52 0.00 0.00 175.55 174.62 1i4q n TYR 90 N 0.09 0.00 -1.82 -3.49 4.02 -1.26 -2.24 117.16 112.45 1i4q n TYR 90 Ca -0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.32 1i4q n TYR 90 Cb 0.61 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.81 1i4q n TYR 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1i4q s VAL 91 N -2.05 3.16 -1.27 -0.72 1.01 -1.26 -2.10 120.40 117.18 1i4q s VAL 91 Ca -0.02 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1i4q s VAL 91 Cb 0.01 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1i4q s VAL 91 CO 0.07 -0.02 1.11 0.59 0.00 0.00 0.00 175.10 176.85 1i4q n ASN 92 N 6.94 -5.77 -4.41 3.32 3.02 -1.26 -4.67 115.26 112.43 1i4q n ASN 92 Ca 0.18 -0.52 -0.44 0.00 -0.03 0.00 0.00 54.58 53.77 1i4q n ASN 92 Cb 0.41 -4.80 -0.07 0.00 -0.61 0.00 0.00 39.78 34.71 1i4q n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i4q s TYR 94 N 1.88 3.31 0.20 0.00 1.51 -1.26 -4.98 117.35 118.01 1i4q s TYR 94 Ca 0.07 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.32 1i4q s TYR 94 Cb -0.23 -2.04 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 1i4q s TYR 94 CO 0.08 0.29 0.02 1.19 -1.11 0.00 0.00 175.55 176.03 1i4q n PHE 95 N 3.15 0.33 -1.37 2.71 3.01 -1.26 -5.05 117.46 118.98 1i4q n PHE 95 Ca -0.17 -1.06 0.00 0.00 1.01 0.00 0.00 57.45 57.23 1i4q n PHE 95 Cb 0.53 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1i4q n PHE 95 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1i4q n SER 96 N -1.38 -6.00 -0.43 4.37 7.64 -1.26 -4.89 113.62 111.67 1i4q n SER 96 Ca -0.06 0.79 0.13 0.00 1.01 0.00 0.00 58.87 60.73 1i4q n SER 96 Cb 0.26 -3.27 0.36 0.00 -1.01 0.00 0.00 64.21 60.55 1i4q n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i4q n SER 97 N 1.02 1.50 0.10 6.43 7.64 -1.26 -4.70 113.62 124.35 1i4q n SER 97 Ca 0.00 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1i4q n SER 97 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1i4q n SER 97 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i4q n LYS 98 N -0.09 0.00 0.00 1.43 0.00 -1.26 -4.91 118.16 113.32 1i4q n LYS 98 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.45 1i4q n LYS 98 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 1i4q n LYS 98 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1i4q n ASP 99 N -2.89 0.00 0.00 3.14 4.64 -1.26 -5.20 116.55 114.98 1i4q n ASP 99 Ca 0.00 -1.00 0.00 0.00 -1.38 0.00 0.00 54.79 52.41 1i4q n ASP 99 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1i4q n ASP 99 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1i4q n ASN 100 N 0.00 0.00 -1.41 1.67 4.05 -1.26 -4.83 115.26 113.48 1i4q n ASN 100 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1i4q n ASN 100 Cb 0.39 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.40 1i4q n ASN 100 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1i4q n GLY 106 N 0.00 -1.38 3.66 8.20 0.00 -1.26 -4.94 105.19 109.47 1i4q n GLY 106 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1i4q n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i4q s GLY 107 N -0.59 1.66 -0.01 -0.02 0.00 -1.26 -4.79 107.32 102.31 1i4q s GLY 107 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.12 1i4q s GLY 107 CO 0.00 0.84 -0.06 0.54 0.00 0.00 0.00 173.10 174.42 1i4q s LYS 108 N -4.67 0.51 0.04 2.90 1.02 -1.26 -1.81 119.74 116.47 1i4q s LYS 108 Ca 0.66 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.44 1i4q s LYS 108 Cb -0.22 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 1i4q s LYS 108 CO 0.59 0.12 -0.04 -0.08 -0.92 0.00 0.00 175.35 175.02 1i4q s THR 109 N -0.09 0.26 0.33 2.17 -1.32 -0.76 -4.95 115.64 111.27 1i4q s THR 109 Ca 0.02 -1.40 0.09 0.00 -1.21 0.00 0.00 61.69 59.19 1i4q s THR 109 Cb -0.03 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.95 1i4q s THR 109 CO -0.00 -0.73 -0.02 0.00 -2.21 0.00 0.00 174.62 171.66 1i4q n MET 111 N -0.91 0.64 -4.35 0.00 0.00 -0.37 -1.13 117.12 111.01 1i4q n MET 111 Ca -0.05 -1.43 -0.20 0.00 0.00 0.00 0.00 57.70 56.02 1i4q n MET 111 Cb 0.62 1.92 -0.13 0.00 0.00 0.00 0.00 33.22 35.63 1i4q n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1i4q s TYR 112 N -2.43 1.21 0.00 3.17 2.02 -1.26 -1.22 117.35 118.84 1i4q s TYR 112 Ca 0.21 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1i4q s TYR 112 Cb -0.03 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 1i4q s TYR 112 CO 0.06 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 1i4q n GLY 113 N 1.91 2.63 2.31 0.71 0.00 -0.72 -4.67 105.19 107.36 1i4q n GLY 113 Ca -0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1i4q n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4q n GLY 114 N 0.00 0.46 3.52 -0.02 0.00 -1.26 -4.87 105.19 103.01 1i4q n GLY 114 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1i4q n GLY 114 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i4q s ILE 115 N -1.79 3.16 -0.05 -0.61 -4.36 -1.26 -1.05 121.20 115.25 1i4q s ILE 115 Ca 0.00 -1.00 -0.08 0.00 -0.26 0.00 0.00 60.65 59.31 1i4q s ILE 115 Cb 0.00 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.37 1i4q s ILE 115 CO 0.00 0.37 0.19 0.42 0.24 0.00 0.00 174.94 176.16 1i4q s THR 116 N -0.95 0.03 0.43 8.37 -4.23 -0.77 -4.94 115.64 113.58 1i4q s THR 116 Ca 0.16 -0.26 -0.25 0.00 -1.18 0.00 0.00 61.69 60.15 1i4q s THR 116 Cb -0.11 -0.37 -0.08 0.00 1.34 0.00 0.00 72.50 73.28 1i4q s THR 116 CO 0.06 -0.15 1.36 -0.54 -0.54 0.00 0.00 174.62 174.81 1i4q s LYS 117 N -0.50 3.80 -0.09 3.99 1.02 -1.26 -0.27 119.74 126.42 1i4q s LYS 117 Ca -0.06 2.27 -0.21 0.00 0.02 0.00 0.00 55.97 57.99 1i4q s LYS 117 Cb -0.04 -2.68 -0.17 0.00 -0.52 0.00 0.00 37.83 34.42 1i4q s LYS 117 CO 0.01 -0.67 0.71 1.25 -0.92 0.00 0.00 175.35 175.73 1i4q h HIS 118 N 2.44 -0.07 -2.14 3.18 -0.00 -1.67 -3.42 115.15 113.47 1i4q h HIS 118 Ca -0.50 -0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.26 1i4q h HIS 118 Cb 1.26 0.02 0.06 0.00 -0.00 0.00 0.00 27.41 28.75 1i4q h HIS 118 CO 0.51 0.50 0.70 -1.91 -0.00 0.00 0.00 177.93 177.73 1i4q n GLU 119 N -4.77 1.89 -1.24 5.26 4.07 -1.26 -2.20 120.64 122.39 1i4q n GLU 119 Ca -0.07 0.68 -0.08 0.00 -0.06 0.00 0.00 57.16 57.63 1i4q n GLU 119 Cb 0.30 -2.41 -0.04 0.00 -0.06 0.00 0.00 31.44 29.23 1i4q n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1i4q n GLY 120 N 3.12 0.88 0.85 8.31 0.00 -1.26 -4.88 105.19 112.21 1i4q n GLY 120 Ca 0.17 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1i4q n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i4q n ASN 121 N -0.66 3.75 -4.46 1.61 5.15 -0.93 -4.97 115.26 114.74 1i4q n ASN 121 Ca -0.08 -2.90 -0.23 0.00 -0.60 0.00 0.00 54.58 50.77 1i4q n ASN 121 Cb 0.45 -0.51 -0.10 0.00 -0.53 0.00 0.00 39.78 39.09 1i4q n ASN 121 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1i4q s HIS 122 N -2.62 2.10 0.02 1.20 3.76 -1.26 -0.92 115.29 117.57 1i4q s HIS 122 Ca 0.40 -0.59 -0.29 0.00 -0.15 0.00 0.00 55.06 54.43 1i4q s HIS 122 Cb 0.31 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1i4q s HIS 122 CO 0.09 0.43 0.91 -0.06 -0.85 0.00 0.00 174.74 175.26 1i4q s PHE 123 N -2.84 3.69 0.32 1.40 0.40 -1.26 -4.86 117.98 114.83 1i4q s PHE 123 Ca 0.30 1.63 0.09 0.00 -0.60 0.00 0.00 56.93 58.35 1i4q s PHE 123 Cb 0.02 -3.03 0.92 0.00 0.51 0.00 0.00 43.02 41.44 1i4q s PHE 123 CO 0.13 0.08 1.65 -0.44 0.70 0.00 0.00 175.22 177.34 1i4q h ASP 124 N 6.42 0.28 -0.29 1.36 5.19 -2.00 0.51 116.42 127.90 1i4q h ASP 124 Ca -0.42 0.20 -0.04 0.00 -0.62 0.00 0.00 57.03 56.15 1i4q h ASP 124 Cb 1.21 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 1i4q h ASP 124 CO 0.74 -0.15 0.05 -3.20 -3.12 0.00 0.00 179.24 173.57 1i4q n ASN 125 N -5.13 3.13 -1.23 6.45 5.15 -1.26 -4.87 115.26 117.50 1i4q n ASN 125 Ca 0.27 -2.46 -0.11 0.00 -0.60 0.00 0.00 54.58 51.68 1i4q n ASN 125 Cb 0.85 -0.59 -0.05 0.00 -0.53 0.00 0.00 39.78 39.46 1i4q n ASN 125 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i4q n GLY 126 N 0.18 1.03 3.99 8.20 0.00 0.18 -4.94 105.19 113.83 1i4q n GLY 126 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1i4q n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i4q s ASN 127 N -1.93 3.95 0.05 1.61 0.01 -1.26 -4.99 114.94 112.39 1i4q s ASN 127 Ca 0.00 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.81 1i4q s ASN 127 Cb 0.00 0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 1i4q s ASN 127 CO 0.00 -2.15 0.01 -0.76 -1.51 0.00 0.00 177.10 172.69 1i4q s LEU 128 N -5.32 3.51 -0.18 0.60 1.43 -1.26 -4.59 118.68 112.87 1i4q s LEU 128 Ca 0.69 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.60 1i4q s LEU 128 Cb -0.04 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1i4q s LEU 128 CO 0.47 0.22 0.17 -1.58 0.23 0.00 0.00 176.35 175.85 1i4q s GLN 129 N -2.02 4.09 0.02 1.70 2.00 0.38 -4.92 119.66 120.90 1i4q s GLN 129 Ca 0.24 -0.13 -0.15 0.00 -2.00 0.00 0.00 55.36 53.31 1i4q s GLN 129 Cb -0.12 -3.38 -0.06 0.00 0.80 0.00 0.00 33.01 30.25 1i4q s GLN 129 CO 0.15 0.36 0.44 -0.80 -0.50 0.00 0.00 175.29 174.95 1i4q s ASN 130 N 0.16 6.85 -0.14 6.67 0.01 -1.26 -1.87 114.94 125.36 1i4q s ASN 130 Ca 0.11 1.01 0.00 0.00 -0.71 0.00 0.00 52.86 53.28 1i4q s ASN 130 Cb -0.12 -2.27 0.02 0.00 0.41 0.00 0.00 41.25 39.30 1i4q s ASN 130 CO 0.00 0.31 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.08 1i4q s VAL 131 N -1.10 1.45 0.03 1.60 1.01 -0.00 -4.89 120.40 118.48 1i4q s VAL 131 Ca 0.25 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1i4q s VAL 131 Cb -0.17 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1i4q s VAL 131 CO 0.15 0.44 1.16 -0.22 0.00 0.00 0.00 175.10 176.63 1i4q s LEU 132 N 1.47 4.35 -0.21 3.92 2.96 -1.26 -1.84 118.68 128.07 1i4q s LEU 132 Ca 0.04 1.92 -0.03 0.00 -0.22 0.00 0.00 54.13 55.83 1i4q s LEU 132 Cb -0.13 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 1i4q s LEU 132 CO -0.09 -0.46 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.77 1i4q s ILE 133 N 1.30 3.06 -0.23 6.68 -1.09 0.11 -3.48 121.20 127.55 1i4q s ILE 133 Ca 0.57 -0.60 -0.09 0.00 -2.23 0.00 0.00 60.65 58.30 1i4q s ILE 133 Cb -0.27 -2.37 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 1i4q s ILE 133 CO 0.27 0.45 0.13 -0.13 -1.23 0.00 0.00 174.94 174.43 1i4q s ARG 134 N 1.43 4.01 -0.15 2.79 0.52 -0.66 -1.19 118.95 125.71 1i4q s ARG 134 Ca 0.06 -0.31 -0.06 0.00 -0.52 0.00 0.00 55.73 54.90 1i4q s ARG 134 Cb -0.14 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1i4q s ARG 134 CO -0.06 0.10 0.05 0.08 0.02 0.00 0.00 175.30 175.49 1i4q s VAL 135 N 0.92 4.67 -0.12 3.52 1.01 0.07 -0.41 120.40 130.06 1i4q s VAL 135 Ca 0.06 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1i4q s VAL 135 Cb -0.13 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1i4q s VAL 135 CO 0.03 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 175.11 1i4q s TYR 136 N -0.05 2.62 -0.21 5.22 1.51 0.12 -2.04 117.35 124.52 1i4q s TYR 136 Ca 0.06 -1.17 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 1i4q s TYR 136 Cb -0.12 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1i4q s TYR 136 CO 0.01 -0.50 -0.15 -1.21 -1.11 0.00 0.00 175.55 172.60 1i4q s GLU 137 N 0.56 2.80 -1.39 -0.62 2.02 0.64 0.01 118.70 122.72 1i4q s GLU 137 Ca -0.13 -0.97 -0.05 0.00 0.02 0.00 0.00 54.97 53.84 1i4q s GLU 137 Cb -0.17 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.35 1i4q s GLU 137 CO 0.04 -0.33 0.79 0.09 0.02 0.00 0.00 175.26 175.87 1i4q n ASN 138 N 4.59 -2.41 0.00 -0.19 3.02 -0.45 -1.63 115.26 118.19 1i4q n ASN 138 Ca -0.18 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1i4q n ASN 138 Cb 0.48 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 1i4q n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1i4q n LYS 139 N -4.43 -0.38 -4.71 3.52 5.02 -1.26 -5.01 118.16 110.91 1i4q n LYS 139 Ca -0.18 0.10 -0.33 0.00 -2.02 0.00 0.00 58.31 55.87 1i4q n LYS 139 Cb 0.63 -3.43 -0.14 0.00 -0.02 0.00 0.00 35.03 32.07 1i4q n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1i4q s ARG 140 N -0.50 3.42 -0.83 1.97 0.52 -0.64 -5.05 118.95 117.84 1i4q s ARG 140 Ca 0.00 -0.66 -0.25 0.00 -0.52 0.00 0.00 55.73 54.30 1i4q s ARG 140 Cb 0.00 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.80 1i4q s ARG 140 CO 0.00 0.21 1.59 1.21 0.02 0.00 0.00 175.30 178.33 1i4q s ASN 141 N 0.38 5.86 -0.07 0.23 3.04 -1.26 -0.26 114.94 122.86 1i4q s ASN 141 Ca -0.10 -0.62 -0.24 0.00 0.04 0.00 0.00 52.86 51.95 1i4q s ASN 141 Cb -0.16 -2.56 -0.30 0.00 -1.54 0.00 0.00 41.25 36.70 1i4q s ASN 141 CO 0.05 -2.04 0.86 0.71 -3.04 0.00 0.00 177.10 173.63 1i4q h THR 142 N 6.68 1.57 -4.12 -5.21 1.35 -1.75 -3.49 112.91 107.95 1i4q h THR 142 Ca -0.06 -2.49 -0.12 0.00 -0.55 0.00 0.00 66.41 63.19 1i4q h THR 142 Cb 1.05 3.24 -0.14 0.00 -1.73 0.00 0.00 68.15 70.57 1i4q h THR 142 CO 1.30 0.69 -0.56 0.27 -0.25 0.00 0.00 175.52 176.97 1i4q s ILE 143 N -2.38 0.17 -0.06 6.82 -4.36 -1.24 -5.06 121.20 115.09 1i4q s ILE 143 Ca -0.15 -1.61 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1i4q s ILE 143 Cb -0.00 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 42.15 1i4q s ILE 143 CO 0.80 -0.76 0.15 -0.44 0.24 0.00 0.00 174.94 174.93 1i4q s SER 144 N -2.93 -0.15 0.10 4.36 0.01 -1.26 -0.75 113.70 113.09 1i4q s SER 144 Ca 0.10 0.31 -0.05 0.00 1.31 0.00 0.00 55.95 57.63 1i4q s SER 144 Cb 0.07 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.55 1i4q s SER 144 CO -0.08 -0.08 0.11 0.72 0.41 0.00 0.00 173.24 174.32 1i4q s PHE 145 N 0.44 0.49 -0.07 2.43 -0.12 -0.33 -4.96 117.98 115.86 1i4q s PHE 145 Ca -0.03 -0.92 0.00 0.00 -0.05 0.00 0.00 56.93 55.93 1i4q s PHE 145 Cb -0.04 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 1i4q s PHE 145 CO -0.02 -0.53 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.37 1i4q s GLU 146 N -3.95 2.82 0.31 1.99 2.02 -1.26 0.09 118.70 120.72 1i4q s GLU 146 Ca 0.13 -0.51 0.10 0.00 0.02 0.00 0.00 54.97 54.71 1i4q s GLU 146 Cb 0.06 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1i4q s GLU 146 CO -0.05 0.67 -0.05 0.14 0.02 0.00 0.00 175.26 175.99 1i4q s VAL 147 N -0.85 2.71 0.11 2.63 -7.23 -0.77 -4.91 120.40 112.08 1i4q s VAL 147 Ca 0.13 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1i4q s VAL 147 Cb -0.11 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1i4q s VAL 147 CO 0.02 -0.28 -0.17 -1.10 -0.31 0.00 0.00 175.10 173.26 1i4q s GLN 148 N -3.65 1.05 0.02 4.82 -0.21 -1.26 -0.82 119.66 119.60 1i4q s GLN 148 Ca 0.33 -1.18 -0.11 0.00 0.02 0.00 0.00 55.36 54.42 1i4q s GLN 148 Cb -0.02 -1.11 0.01 0.00 1.00 0.00 0.00 33.01 32.89 1i4q s GLN 148 CO 0.18 0.24 0.22 -0.08 -2.12 0.00 0.00 175.29 173.73 1i4q s THR 149 N -1.61 0.08 -2.23 -0.19 -1.32 -0.78 -4.98 115.64 104.60 1i4q s THR 149 Ca 0.07 -0.70 0.23 0.00 -1.21 0.00 0.00 61.69 60.08 1i4q s THR 149 Cb -0.08 -0.71 0.55 0.00 -1.51 0.00 0.00 72.50 70.75 1i4q s THR 149 CO 0.04 -0.39 1.48 -0.90 -2.21 0.00 0.00 174.62 172.64 1i4q n ASP 150 N 1.04 3.76 -4.67 8.08 5.75 -1.26 -0.47 116.55 128.77 1i4q n ASP 150 Ca -0.21 -2.00 -0.35 0.00 -0.01 0.00 0.00 54.79 52.23 1i4q n ASP 150 Cb 0.57 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 40.18 1i4q n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1i4q s LYS 151 N -1.24 2.94 0.02 0.11 1.02 -1.26 -4.23 119.74 117.10 1i4q s LYS 151 Ca 0.45 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.80 1i4q s LYS 151 Cb 0.25 -2.76 -0.20 0.00 -0.52 0.00 0.00 37.83 34.59 1i4q s LYS 151 CO 0.33 0.69 1.17 0.87 -0.92 0.00 0.00 175.35 177.49 1i4q h LYS 152 N 5.08 0.42 -4.71 1.68 1.57 -1.36 -3.40 116.57 115.85 1i4q h LYS 152 Ca -0.50 -0.38 -0.69 0.00 -1.87 0.00 0.00 60.65 57.21 1i4q h LYS 152 Cb 1.19 0.09 -0.32 0.00 0.08 0.00 0.00 32.23 33.27 1i4q h LYS 152 CO 0.54 1.03 -0.66 0.45 -0.57 0.00 0.00 179.45 180.24 1i4q s SER 153 N -6.61 5.06 0.07 0.86 0.15 -1.26 -0.99 113.70 110.97 1i4q s SER 153 Ca -0.13 -1.32 0.08 0.00 0.70 0.00 0.00 55.95 55.28 1i4q s SER 153 Cb 0.04 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.55 1i4q s SER 153 CO 0.81 -0.31 -0.21 0.54 1.20 0.00 0.00 173.24 175.27 1i4q s VAL 154 N 1.28 2.61 0.44 4.45 0.11 -0.53 -4.88 120.40 123.89 1i4q s VAL 154 Ca -0.03 -1.35 -0.24 0.00 -2.93 0.00 0.00 61.98 57.43 1i4q s VAL 154 Cb -0.20 -2.11 -0.08 0.00 -1.53 0.00 0.00 36.38 32.46 1i4q s VAL 154 CO -0.00 0.27 1.26 0.42 -3.33 0.00 0.00 175.10 173.72 1i4q s THR 155 N -0.96 2.70 0.48 5.04 -4.23 -1.26 -0.68 115.64 116.73 1i4q s THR 155 Ca 0.15 0.58 0.15 0.00 -1.18 0.00 0.00 61.69 61.38 1i4q s THR 155 Cb -0.10 -3.32 0.22 0.00 1.34 0.00 0.00 72.50 70.64 1i4q s THR 155 CO 0.06 0.04 2.06 0.00 -0.54 0.00 0.00 174.62 176.24 1i4q h ALA 156 N 2.30 1.82 -0.22 3.99 0.00 -1.15 -2.29 119.26 123.71 1i4q h ALA 156 Ca -0.50 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1i4q h ALA 156 Cb 1.25 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1i4q h ALA 156 CO 0.61 0.14 0.04 0.37 0.00 0.00 0.00 179.25 180.41 1i4q h GLN 157 N 0.02 0.12 -0.42 0.00 4.15 -1.90 0.18 115.11 117.27 1i4q h GLN 157 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 1i4q h GLN 157 Cb 0.18 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 1i4q h GLN 157 CO 0.01 0.08 0.20 1.49 -1.93 0.00 0.00 178.83 178.68 1i4q h GLU 158 N 0.13 0.39 -0.53 1.69 4.81 -1.65 -0.33 114.58 119.09 1i4q h GLU 158 Ca 0.10 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1i4q h GLU 158 Cb 0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1i4q h GLU 158 CO -0.14 0.26 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.22 1i4q h LEU 159 N 0.40 0.98 0.30 1.64 3.38 -1.43 -2.37 115.31 118.22 1i4q h LEU 159 Ca 0.18 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1i4q h LEU 159 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1i4q h LEU 159 CO -0.14 1.09 -0.15 -0.78 0.09 0.00 0.00 178.44 178.56 1i4q h ASP 160 N 0.88 -0.34 -0.35 -0.43 3.58 -0.55 -1.15 116.42 118.05 1i4q h ASP 160 Ca 0.14 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.65 1i4q h ASP 160 Cb 0.66 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.73 1i4q h ASP 160 CO 0.05 -0.22 -0.08 0.40 -2.88 0.00 0.00 179.24 176.51 1i4q h ILE 161 N -0.43 0.66 -0.37 2.25 2.04 -1.02 -0.28 117.51 120.35 1i4q h ILE 161 Ca -0.04 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1i4q h ILE 161 Cb 0.33 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1i4q h ILE 161 CO 0.07 0.00 0.07 0.11 0.00 0.00 0.00 178.15 178.40 1i4q h LYS 162 N 0.01 0.55 -0.15 2.37 1.57 -1.32 -0.57 116.57 119.03 1i4q h LYS 162 Ca 0.17 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1i4q h LYS 162 Cb 0.25 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1i4q h LYS 162 CO -0.35 0.53 -0.03 0.00 -0.57 0.00 0.00 179.45 179.03 1i4q h ALA 163 N 1.54 0.20 0.00 3.86 0.00 -0.14 -2.87 119.26 121.86 1i4q h ALA 163 Ca 0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1i4q h ALA 163 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1i4q h ALA 163 CO -0.00 -0.05 -0.45 0.00 0.00 0.00 0.00 179.25 178.75 1i4q h ARG 164 N -0.01 0.00 -0.62 0.00 3.08 -0.83 -2.10 114.38 113.90 1i4q h ARG 164 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1i4q h ARG 164 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1i4q h ARG 164 CO 0.01 0.45 0.24 -0.97 -1.07 0.00 0.00 179.97 178.63 1i4q h ASN 165 N 0.00 0.87 -0.10 7.04 -0.73 -1.06 0.12 115.58 121.73 1i4q h ASN 165 Ca -0.00 -0.18 -0.02 0.00 1.87 0.00 0.00 56.30 57.97 1i4q h ASN 165 Cb 0.84 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 39.20 1i4q h ASN 165 CO 0.06 0.82 0.00 0.15 -0.37 0.00 0.00 177.43 178.09 1i4q h PHE 166 N 0.88 0.19 0.00 0.67 3.57 -1.28 -3.09 116.94 117.87 1i4q h PHE 166 Ca 0.21 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1i4q h PHE 166 Cb 0.23 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1i4q h PHE 166 CO 0.01 0.42 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.29 1i4q h LEU 167 N -0.10 0.00 -0.64 0.59 3.38 -1.18 0.20 115.31 117.56 1i4q h LEU 167 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1i4q h LEU 167 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1i4q h LEU 167 CO 0.00 0.15 0.17 0.40 0.09 0.00 0.00 178.44 179.25 1i4q h ILE 168 N 0.00 1.25 0.06 1.22 2.04 -0.90 0.14 117.51 121.33 1i4q h ILE 168 Ca -0.00 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 1i4q h ILE 168 Cb 0.29 0.63 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1i4q h ILE 168 CO 0.02 0.35 -0.40 0.78 0.00 0.00 0.00 178.15 178.89 1i4q h ASN 169 N 0.94 0.25 0.39 1.72 2.35 -1.29 -1.96 115.58 117.97 1i4q h ASN 169 Ca 0.20 -0.95 -0.22 0.00 -0.55 0.00 0.00 56.30 54.78 1i4q h ASN 169 Cb 0.34 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1i4q h ASN 169 CO 0.00 1.17 -0.95 0.50 -1.65 0.00 0.00 177.43 176.51 1i4q h LYS 170 N -0.64 0.37 0.00 0.81 1.63 -0.68 -3.37 116.57 114.68 1i4q h LYS 170 Ca -0.07 -0.41 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1i4q h LYS 170 Cb 1.29 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1i4q h LYS 170 CO 0.08 1.09 -0.05 1.63 -3.45 0.00 0.00 179.45 178.74 1i4q n LYS 171 N -3.72 1.72 -4.04 1.90 4.76 0.39 -5.00 118.16 114.17 1i4q n LYS 171 Ca -0.06 -1.52 -0.29 0.00 -2.87 0.00 0.00 58.31 53.57 1i4q n LYS 171 Cb 0.84 -0.98 -0.02 0.00 -1.84 0.00 0.00 35.03 33.03 1i4q n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1i4q n ASN 172 N -0.58 -1.50 -0.28 4.39 4.13 -0.68 -4.81 115.26 115.92 1i4q n ASN 172 Ca 0.04 -1.00 0.07 0.00 1.68 0.00 0.00 54.58 55.37 1i4q n ASN 172 Cb 0.44 -3.00 0.18 0.00 -1.54 0.00 0.00 39.78 35.85 1i4q n ASN 172 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1i4q h LEU 173 N -1.75 -0.43 -8.09 3.41 5.85 -1.46 -3.40 115.31 109.44 1i4q h LEU 173 Ca -0.62 0.22 -0.45 0.00 0.84 0.00 0.00 57.88 57.87 1i4q h LEU 173 Cb 1.38 0.39 -0.30 0.00 0.37 0.00 0.00 40.66 42.51 1i4q h LEU 173 CO 0.68 -0.22 -0.80 -0.31 -0.34 0.00 0.00 178.44 177.44 1i4q s TYR 174 N -6.11 1.10 0.46 1.25 1.51 -1.26 -4.43 117.35 109.86 1i4q s TYR 174 Ca -0.13 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1i4q s TYR 174 Cb 0.24 -0.74 -0.00 0.00 -0.11 0.00 0.00 41.96 41.35 1i4q s TYR 174 CO 0.76 -0.06 0.03 0.39 -1.11 0.00 0.00 175.55 175.56 1i4q n GLU 175 N 2.99 0.78 0.13 -0.62 1.02 -0.54 -4.91 120.64 119.49 1i4q n GLU 175 Ca -0.16 -3.44 -0.14 0.00 -0.02 0.00 0.00 57.16 53.41 1i4q n GLU 175 Cb 0.55 1.14 -0.08 0.00 -0.02 0.00 0.00 31.44 33.03 1i4q n GLU 175 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1i4q h PHE 176 N 1.34 -0.26 0.24 -0.32 3.57 -1.93 -2.88 116.94 116.70 1i4q h PHE 176 Ca -0.37 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 1i4q h PHE 176 Cb 1.19 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1i4q h PHE 176 CO 0.00 -0.08 -0.11 -0.97 -2.23 0.00 0.00 178.31 174.92 1i4q h ASN 177 N -0.38 -0.27 0.00 0.41 -0.00 -1.94 0.10 115.58 113.50 1i4q h ASN 177 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.28 1i4q h ASN 177 Cb 0.29 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.68 1i4q h ASN 177 CO 0.05 0.07 0.00 -0.24 -0.00 0.00 0.00 177.43 177.31 1i4q n SER 178 N -4.32 0.00 -4.17 1.15 2.88 -1.26 -2.48 113.62 105.42 1i4q n SER 178 Ca -0.04 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.30 1i4q n SER 178 Cb 0.13 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.46 1i4q n SER 178 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i4q s SER 179 N 1.24 1.74 0.00 -3.46 0.15 -1.26 -1.47 113.70 110.63 1i4q s SER 179 Ca 0.00 -0.54 0.23 0.00 0.70 0.00 0.00 55.95 56.34 1i4q s SER 179 Cb 0.00 -0.09 1.18 0.00 -1.71 0.00 0.00 66.02 65.40 1i4q s SER 179 CO 0.00 -0.01 1.75 -0.81 1.20 0.00 0.00 173.24 175.37 1i4q n PRO 180 N 1.60 0.37 -4.34 5.44 -0.04 -1.26 -4.70 135.00 132.06 1i4q n PRO 180 Ca -0.19 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.00 1i4q n PRO 180 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1i4q n PRO 180 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1i4q s TYR 181 N -2.51 3.07 -0.10 0.54 1.51 -1.26 -4.73 117.35 113.87 1i4q s TYR 181 Ca 0.23 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.27 1i4q s TYR 181 Cb 0.15 -1.69 -0.27 0.00 -0.11 0.00 0.00 41.96 40.04 1i4q s TYR 181 CO 0.34 0.45 0.49 1.49 -1.11 0.00 0.00 175.55 177.21 1i4q h GLU 182 N 4.59 0.28 -5.06 -0.62 4.57 -0.57 -3.42 114.58 114.37 1i4q h GLU 182 Ca -0.49 -0.48 -0.35 0.00 -1.18 0.00 0.00 59.36 56.86 1i4q h GLU 182 Cb 1.18 0.18 -0.19 0.00 -0.16 0.00 0.00 28.75 29.76 1i4q h GLU 182 CO 0.56 1.23 -0.75 0.99 -1.18 0.00 0.00 179.01 179.87 1i4q s THR 183 N -2.53 0.98 -0.29 0.32 2.01 -1.01 -1.35 115.64 113.77 1i4q s THR 183 Ca -0.20 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.09 1i4q s THR 183 Cb 0.06 -1.22 0.15 0.00 0.01 0.00 0.00 72.50 71.49 1i4q s THR 183 CO 0.78 -0.44 1.07 -0.83 -0.69 0.00 0.00 174.62 174.51 1i4q s GLY 184 N -2.18 0.03 -0.02 4.40 0.00 -1.26 -1.25 107.32 107.04 1i4q s GLY 184 Ca 0.02 3.06 -0.10 0.00 0.00 0.00 0.00 44.72 47.70 1i4q s GLY 184 CO 0.01 2.23 0.22 -2.52 0.00 0.00 0.00 173.10 173.04 1i4q s TYR 185 N 0.73 -0.09 -0.20 1.90 -0.85 -0.80 0.21 117.35 118.26 1i4q s TYR 185 Ca -0.02 0.14 -0.04 0.00 -0.52 0.00 0.00 57.07 56.63 1i4q s TYR 185 Cb -0.04 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.31 1i4q s TYR 185 CO -0.11 -0.30 -0.03 -1.50 -1.52 0.00 0.00 175.55 172.08 1i4q s ILE 186 N -1.13 3.64 -0.14 -3.49 2.07 -0.54 -0.91 121.20 120.70 1i4q s ILE 186 Ca -0.12 -0.42 -0.02 0.00 -1.41 0.00 0.00 60.65 58.68 1i4q s ILE 186 Cb -0.06 -2.63 -0.02 0.00 0.13 0.00 0.00 42.46 39.87 1i4q s ILE 186 CO 0.02 0.44 -0.07 -0.75 -1.91 0.00 0.00 174.94 172.67 1i4q s LYS 187 N 1.09 3.55 -0.13 3.50 2.20 0.12 -1.32 119.74 128.75 1i4q s LYS 187 Ca 0.02 -0.58 -0.06 0.00 -0.36 0.00 0.00 55.97 54.98 1i4q s LYS 187 Cb -0.15 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1i4q s LYS 187 CO 0.00 0.24 0.09 -0.06 -0.36 0.00 0.00 175.35 175.26 1i4q s PHE 188 N 0.33 3.40 -0.26 4.03 0.40 0.66 -0.97 117.98 125.56 1i4q s PHE 188 Ca -0.07 0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 1i4q s PHE 188 Cb -0.15 -1.93 0.07 0.00 0.51 0.00 0.00 43.02 41.52 1i4q s PHE 188 CO 0.04 0.53 -0.00 0.42 0.70 0.00 0.00 175.22 176.91 1i4q s ILE 189 N -0.66 1.40 0.42 0.64 1.01 0.42 -2.16 121.20 122.27 1i4q s ILE 189 Ca 0.12 -1.34 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 1i4q s ILE 189 Cb -0.12 -1.81 -0.08 0.00 0.01 0.00 0.00 42.46 40.46 1i4q s ILE 189 CO 0.02 -0.29 0.83 -1.61 0.00 0.00 0.00 174.94 173.89 1i4q s GLU 190 N 1.42 3.89 0.00 2.79 2.02 0.13 -1.08 118.70 127.87 1i4q s GLU 190 Ca 0.00 0.67 0.03 0.00 0.02 0.00 0.00 54.97 55.69 1i4q s GLU 190 Cb -0.18 -2.32 0.16 0.00 0.10 0.00 0.00 34.13 31.89 1i4q s GLU 190 CO -0.10 -0.06 0.59 0.27 0.02 0.00 0.00 175.26 175.98 1i4q n ASN 191 N -1.14 0.00 -0.52 -0.19 6.94 -1.26 -0.50 115.26 118.59 1i4q n ASN 191 Ca 0.04 -0.76 0.06 0.00 -0.02 0.00 0.00 54.58 53.90 1i4q n ASN 191 Cb 0.54 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.03 1i4q n ASN 191 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1i4q n ASN 192 N -0.60 2.19 0.00 0.53 6.94 -1.26 -4.98 115.26 118.08 1i4q n ASN 192 Ca 0.02 -1.60 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1i4q n ASN 192 Cb 0.01 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 1i4q n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1i4q n GLY 193 N 0.65 3.39 3.76 4.83 0.00 0.35 -5.06 105.19 113.11 1i4q n GLY 193 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1i4q n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i4q s ASN 194 N -1.03 6.63 0.09 1.61 3.84 -1.25 -4.76 114.94 120.07 1i4q s ASN 194 Ca 0.00 2.75 0.05 0.00 0.21 0.00 0.00 52.86 55.86 1i4q s ASN 194 Cb 0.00 -2.64 -0.03 0.00 -0.55 0.00 0.00 41.25 38.03 1i4q s ASN 194 CO 0.00 -0.68 -0.13 0.42 -2.79 0.00 0.00 177.10 173.92 1i4q s THR 195 N -0.54 1.08 0.05 -5.21 -4.23 -1.26 -0.70 115.64 104.83 1i4q s THR 195 Ca 0.55 -1.48 -0.27 0.00 -1.18 0.00 0.00 61.69 59.31 1i4q s THR 195 Cb -0.42 -1.23 0.07 0.00 1.34 0.00 0.00 72.50 72.26 1i4q s THR 195 CO 0.50 -0.37 0.67 0.72 -0.54 0.00 0.00 174.62 175.59 1i4q s PHE 196 N -1.81 -0.57 0.16 3.99 -0.12 -0.92 -1.89 117.98 116.82 1i4q s PHE 196 Ca 0.02 0.67 -0.05 0.00 -0.05 0.00 0.00 56.93 57.52 1i4q s PHE 196 Cb -0.07 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1i4q s PHE 196 CO 0.02 -0.71 0.18 1.67 -0.05 0.00 0.00 175.22 176.32 1i4q s TRP 197 N -2.53 0.71 -0.03 3.49 1.48 -1.26 -0.25 118.94 120.54 1i4q s TRP 197 Ca -0.04 -1.05 0.04 0.00 -1.06 0.00 0.00 56.10 53.98 1i4q s TRP 197 Cb -0.01 -0.30 -0.00 0.00 -1.16 0.00 0.00 33.47 32.01 1i4q s TRP 197 CO -0.03 -0.64 -0.14 0.71 -4.06 0.00 0.00 176.95 172.80 1i4q s TYR 198 N -4.03 1.39 -0.09 1.66 4.12 -0.44 -4.96 117.35 115.00 1i4q s TYR 198 Ca 0.24 -0.37 -0.30 0.00 0.02 0.00 0.00 57.07 56.66 1i4q s TYR 198 Cb 0.05 -0.95 -0.02 0.00 -1.52 0.00 0.00 41.96 39.52 1i4q s TYR 198 CO 0.03 -0.13 1.17 0.34 0.02 0.00 0.00 175.55 176.98 1i4q s ASP 199 N 0.07 7.06 0.00 2.29 3.68 -1.26 -1.46 116.67 127.05 1i4q s ASP 199 Ca -0.03 1.72 0.28 0.00 2.13 0.00 0.00 52.55 56.66 1i4q s ASP 199 Cb -0.10 -2.55 1.12 0.00 -1.45 0.00 0.00 42.92 39.94 1i4q s ASP 199 CO 0.01 -0.60 1.80 0.23 0.13 0.00 0.00 175.17 176.75 1i4q n MET 200 N 5.48 0.51 -4.04 4.34 2.81 0.13 -4.89 117.12 121.47 1i4q n MET 200 Ca 0.11 -0.18 -0.31 0.00 -1.81 0.00 0.00 57.70 55.52 1i4q n MET 200 Cb 0.46 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.42 1i4q n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1i4q s MET 201 N -2.62 2.98 0.53 0.03 -1.94 -1.25 -4.97 119.30 112.07 1i4q s MET 201 Ca 0.24 -0.63 -0.20 0.00 -1.71 0.00 0.00 55.69 53.39 1i4q s MET 201 Cb 0.20 -2.79 -0.06 0.00 2.01 0.00 0.00 34.83 34.19 1i4q s MET 201 CO 0.51 0.58 1.13 -1.25 -0.01 0.00 0.00 175.02 175.98 1i4q s PRO 202 N -2.34 3.41 0.64 2.03 0.04 -1.26 -4.80 135.00 132.72 1i4q s PRO 202 Ca 0.29 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 1i4q s PRO 202 Cb -0.12 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1i4q s PRO 202 CO 0.22 -0.81 1.28 0.00 0.04 0.00 0.00 177.00 177.73 1i4q s ALA 203 N -1.75 2.40 0.59 8.56 0.00 -1.26 -4.63 121.76 125.66 1i4q s ALA 203 Ca 0.72 1.17 -0.20 0.00 0.00 0.00 0.00 51.96 53.65 1i4q s ALA 203 Cb -0.24 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1i4q s ALA 203 CO 0.27 -1.52 1.25 -0.35 0.00 0.00 0.00 175.76 175.41 1i4q n PRO 204 N -1.87 1.34 0.00 0.00 -0.04 -1.26 -4.76 135.00 128.41 1i4q n PRO 204 Ca 0.15 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1i4q n PRO 204 Cb 0.48 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1i4q n PRO 204 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i4q n GLY 205 N 0.93 0.78 0.41 0.55 0.00 -0.81 -4.91 105.19 102.14 1i4q n GLY 205 Ca 0.13 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 44.15 1i4q n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i4q n ASP 206 N 2.10 2.59 -3.55 1.61 5.68 -1.26 0.12 116.55 123.83 1i4q n ASP 206 Ca 0.00 -1.99 -0.23 0.00 -0.50 0.00 0.00 54.79 52.06 1i4q n ASP 206 Cb 0.00 -0.15 -0.15 0.00 -1.14 0.00 0.00 41.12 39.68 1i4q n ASP 206 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1i4q s LYS 207 N -1.00 0.13 0.01 0.11 2.36 -1.26 -3.78 119.74 116.31 1i4q s LYS 207 Ca 0.15 -0.04 -0.30 0.00 -2.55 0.00 0.00 55.97 53.23 1i4q s LYS 207 Cb 0.08 -1.49 -0.04 0.00 -1.05 0.00 0.00 37.83 35.33 1i4q s LYS 207 CO 0.10 -0.72 1.12 0.12 1.55 0.00 0.00 175.35 177.52 1i4q s PHE 208 N 2.21 3.46 -0.57 4.03 5.36 -1.26 -4.99 117.98 126.21 1i4q s PHE 208 Ca 0.05 1.42 -0.12 0.00 -0.96 0.00 0.00 56.93 57.32 1i4q s PHE 208 Cb -0.16 -3.32 0.14 0.00 -0.34 0.00 0.00 43.02 39.35 1i4q s PHE 208 CO -0.14 -0.84 0.48 0.34 -1.46 0.00 0.00 175.22 173.60 1i4q s ASP 209 N 1.14 6.04 0.13 6.13 -1.08 -1.26 -4.95 116.67 122.81 1i4q s ASP 209 Ca 0.55 -2.07 -0.19 0.00 -0.52 0.00 0.00 52.55 50.32 1i4q s ASP 209 Cb -0.25 -2.11 -0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1i4q s ASP 209 CO 0.26 -0.71 1.72 1.56 0.52 0.00 0.00 175.17 178.52 1i4q h GLN 210 N 8.40 0.06 -0.42 4.34 4.20 -1.93 -1.59 115.11 128.17 1i4q h GLN 210 Ca -0.18 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.59 1i4q h GLN 210 Cb 1.07 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.79 1i4q h GLN 210 CO 0.90 0.04 0.13 1.03 -0.67 0.00 0.00 178.83 180.26 1i4q h SER 211 N 0.06 0.11 -0.01 1.46 0.87 -1.93 -1.53 113.55 112.58 1i4q h SER 211 Ca 0.11 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1i4q h SER 211 Cb 0.14 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1i4q h SER 211 CO -0.18 0.10 -0.15 0.50 -0.53 0.00 0.00 176.83 176.56 1i4q h LYS 212 N 0.28 0.33 -0.07 2.24 3.64 -1.91 -2.59 116.57 118.49 1i4q h LYS 212 Ca 0.20 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1i4q h LYS 212 Cb 0.20 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1i4q h LYS 212 CO -0.22 0.48 -0.50 -0.92 -2.27 0.00 0.00 179.45 176.02 1i4q h TYR 213 N 0.31 0.64 0.00 1.91 3.20 -0.74 -3.22 116.97 119.08 1i4q h TYR 213 Ca 0.06 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1i4q h TYR 213 Cb 0.46 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1i4q h TYR 213 CO 0.01 1.08 0.00 -0.07 -1.64 0.00 0.00 178.16 177.54 1i4q h LEU 214 N 0.02 0.00 -1.99 2.82 3.38 -1.24 -3.10 115.31 115.20 1i4q h LEU 214 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1i4q h LEU 214 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1i4q h LEU 214 CO 0.10 0.00 0.44 -0.03 0.09 0.00 0.00 178.44 179.04 1i4q h MET 215 N 0.00 0.00 -0.04 1.13 4.05 -1.47 -0.31 114.93 118.29 1i4q h MET 215 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1i4q h MET 215 Cb 0.40 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1i4q h MET 215 CO 0.00 0.00 0.13 0.00 0.23 0.00 0.00 176.91 177.27 1i4q h MET 216 N 0.00 0.00 -0.01 0.39 -0.00 -1.75 -0.12 114.93 113.44 1i4q h MET 216 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.91 1i4q h MET 216 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.68 1i4q h MET 216 CO -0.00 0.00 -0.03 0.66 -0.00 0.00 0.00 176.91 177.54 1i4q n TYR 217 N -3.28 0.00 0.27 -0.10 0.53 -0.13 -4.22 117.16 110.24 1i4q n TYR 217 Ca -0.02 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.95 1i4q n TYR 217 Cb 0.20 -0.03 0.42 0.00 -1.03 0.00 0.00 39.34 38.90 1i4q n TYR 217 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 1i4q n ASN 218 N -0.46 0.42 0.00 7.72 6.94 -0.06 -1.85 115.26 127.97 1i4q n ASN 218 Ca 0.20 0.65 0.12 0.00 -0.02 0.00 0.00 54.58 55.53 1i4q n ASN 218 Cb 0.25 -0.72 0.60 0.00 -2.36 0.00 0.00 39.78 37.55 1i4q n ASN 218 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i4q n ASP 219 N -2.01 0.00 -2.68 0.53 3.85 -1.26 0.09 116.55 115.07 1i4q n ASP 219 Ca 0.01 0.10 -0.18 0.00 -0.71 0.00 0.00 54.79 54.01 1i4q n ASP 219 Cb 0.12 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 1i4q n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1i4q n ASN 220 N -1.35 -4.89 -4.68 -1.12 4.05 -0.77 -4.87 115.26 101.63 1i4q n ASN 220 Ca 0.10 -0.05 -0.45 0.00 0.45 0.00 0.00 54.58 54.63 1i4q n ASN 220 Cb 0.23 -4.06 -0.04 0.00 1.23 0.00 0.00 39.78 37.13 1i4q n ASN 220 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1i4q n LYS 221 N -3.25 2.36 -4.35 1.20 3.00 -1.26 -4.88 118.16 110.97 1i4q n LYS 221 Ca -0.15 0.85 -0.26 0.00 -0.00 0.00 0.00 58.31 58.75 1i4q n LYS 221 Cb 0.62 -2.66 -0.10 0.00 0.00 0.00 0.00 35.03 32.89 1i4q n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1i4q s THR 222 N 1.56 2.87 0.06 3.15 -4.23 -1.26 -0.55 115.64 117.24 1i4q s THR 222 Ca 0.80 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1i4q s THR 222 Cb -0.62 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1i4q s THR 222 CO 0.38 -0.18 -0.05 0.68 -0.54 0.00 0.00 174.62 174.92 1i4q s VAL 223 N -1.86 0.41 -0.59 2.29 -7.23 0.15 -4.85 120.40 108.72 1i4q s VAL 223 Ca 0.25 -1.69 -0.28 0.00 -1.81 0.00 0.00 61.98 58.45 1i4q s VAL 223 Cb -0.08 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.53 1i4q s VAL 223 CO 0.14 -0.84 1.30 -0.62 -0.31 0.00 0.00 175.10 174.77 1i4q s ASP 224 N -2.68 6.28 0.43 4.85 2.15 -1.26 -1.45 116.67 124.98 1i4q s ASP 224 Ca 0.05 0.14 0.18 0.00 0.43 0.00 0.00 52.55 53.35 1i4q s ASP 224 Cb 0.03 -2.55 1.11 0.00 -0.30 0.00 0.00 42.92 41.21 1i4q s ASP 224 CO -0.06 -1.62 1.86 0.77 -0.17 0.00 0.00 175.17 175.95 1i4q h SER 225 N 10.27 0.38 0.97 -0.34 4.64 -1.30 -0.76 113.55 127.41 1i4q h SER 225 Ca -0.26 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1i4q h SER 225 Cb 1.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1i4q h SER 225 CO 1.19 0.15 -0.20 0.50 -0.87 0.00 0.00 176.83 177.60 1i4q h LYS 226 N 0.38 0.00 0.00 4.77 3.64 -1.89 -3.36 116.57 120.11 1i4q h LYS 226 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1i4q h LYS 226 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1i4q h LYS 226 CO -0.16 0.20 -0.23 -1.13 -2.27 0.00 0.00 179.45 175.86 1i4q n SER 227 N -3.35 1.14 -4.76 4.20 3.41 -0.63 -5.06 113.62 108.57 1i4q n SER 227 Ca 0.00 -0.32 -0.36 0.00 -0.26 0.00 0.00 58.87 57.93 1i4q n SER 227 Cb 0.42 0.87 0.02 0.00 -0.26 0.00 0.00 64.21 65.27 1i4q n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i4q s VAL 228 N -1.10 2.84 0.03 -3.33 0.11 -0.39 -4.37 120.40 114.19 1i4q s VAL 228 Ca 0.00 0.54 0.09 0.00 -2.93 0.00 0.00 61.98 59.68 1i4q s VAL 228 Cb 0.00 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.60 1i4q s VAL 228 CO 0.00 -0.10 -0.26 -0.54 -3.33 0.00 0.00 175.10 170.87 1i4q s LYS 229 N -3.24 1.89 -0.03 1.54 1.02 -0.24 -4.78 119.74 115.89 1i4q s LYS 229 Ca 0.74 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 55.70 1i4q s LYS 229 Cb -0.28 -2.00 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1i4q s LYS 229 CO 0.31 0.52 -0.12 0.42 -0.92 0.00 0.00 175.35 175.57 1i4q s ILE 230 N -0.76 1.02 -0.07 2.17 1.01 -1.23 -0.43 121.20 122.91 1i4q s ILE 230 Ca 0.11 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1i4q s ILE 230 Cb -0.10 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1i4q s ILE 230 CO 0.01 0.30 -0.09 -1.61 0.00 0.00 0.00 174.94 173.55 1i4q s GLU 231 N 0.08 1.43 -0.21 2.79 2.02 -0.15 -1.65 118.70 123.02 1i4q s GLU 231 Ca -0.02 -0.30 -0.07 0.00 0.02 0.00 0.00 54.97 54.60 1i4q s GLU 231 Cb -0.09 -1.27 -0.03 0.00 0.10 0.00 0.00 34.13 32.84 1i4q s GLU 231 CO 0.01 -0.05 0.05 0.08 0.02 0.00 0.00 175.26 175.37 1i4q s VAL 232 N 0.89 4.35 -0.28 2.63 1.01 0.45 0.16 120.40 129.62 1i4q s VAL 232 Ca -0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1i4q s VAL 232 Cb -0.15 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.29 1i4q s VAL 232 CO 0.01 0.40 -0.05 -1.00 0.00 0.00 0.00 175.10 174.47 1i4q s HIS 233 N 1.03 3.23 0.24 5.22 3.76 -0.08 0.13 115.29 128.83 1i4q s HIS 233 Ca 0.03 -1.98 0.10 0.00 -0.15 0.00 0.00 55.06 53.06 1i4q s HIS 233 Cb -0.14 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1i4q s HIS 233 CO 0.03 -0.82 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.48 1i4q s LEU 234 N 1.21 2.91 0.02 0.89 2.01 0.10 -1.91 118.68 123.91 1i4q s LEU 234 Ca -0.06 -0.75 0.00 0.00 0.01 0.00 0.00 54.13 53.33 1i4q s LEU 234 Cb -0.19 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.50 1i4q s LEU 234 CO -0.03 0.05 -0.03 0.42 1.01 0.00 0.00 176.35 177.77 1i4q s THR 235 N -2.16 0.13 -0.24 5.49 -4.23 -0.38 -1.34 115.64 112.92 1i4q s THR 235 Ca 0.28 -0.81 0.07 0.00 -1.18 0.00 0.00 61.69 60.05 1i4q s THR 235 Cb -0.07 -0.26 -0.09 0.00 1.34 0.00 0.00 72.50 73.42 1i4q s THR 235 CO 0.16 -0.43 0.26 0.35 -0.54 0.00 0.00 174.62 174.43 1i4q n THR 236 N 1.77 0.00 0.00 3.99 -2.24 -1.26 0.13 114.28 116.67 1i4q n THR 236 Ca -0.22 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1i4q n THR 236 Cb 0.56 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1i4q n THR 236 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1i4q n LYS 237 N -1.36 0.00 0.02 -0.78 5.02 -1.26 -1.78 118.16 118.02 1i4q n LYS 237 Ca 0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1i4q n LYS 237 Cb 0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.14 1i4q n LYS 237 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1i4q h ASN 238 N 0.00 -0.08 0.00 4.39 -0.73 -2.00 -3.53 115.58 113.63 1i4q h ASN 238 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1i4q h ASN 238 Cb 0.00 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.61 1i4q h ASN 238 CO 0.00 0.15 0.00 0.61 -0.37 0.00 0.00 177.43 177.82