#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4u h TYR 8 N 0.00 0.29 0.00 0.66 5.03 -2.04 -0.76 116.97 120.14 3d4u h TYR 8 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3d4u h TYR 8 Cb 0.00 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.25 3d4u h TYR 8 CO 0.00 -0.02 0.00 0.66 -1.32 0.00 0.00 178.16 177.48 3d4u n TYR 9 N -5.10 0.00 -0.93 -3.82 4.01 -1.26 -2.93 117.16 107.13 3d4u n TYR 9 Ca 0.11 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.92 3d4u n TYR 9 Cb 0.37 -0.13 0.38 0.00 -0.31 0.00 0.00 39.34 39.65 3d4u n TYR 9 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3d4u n GLU 10 N -1.13 4.57 -4.07 -0.72 1.02 -0.29 -4.80 120.64 115.22 3d4u n GLU 10 Ca 0.20 -3.12 -0.12 0.00 -0.02 0.00 0.00 57.16 54.09 3d4u n GLU 10 Cb 0.17 -2.21 -0.11 0.00 -0.02 0.00 0.00 31.44 29.27 3d4u n GLU 10 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3d4u s GLN 11 N -2.80 0.55 0.33 3.49 -0.21 -1.15 -4.68 119.66 115.19 3d4u s GLN 11 Ca 0.53 -0.83 -0.26 0.00 0.02 0.00 0.00 55.36 54.83 3d4u s GLN 11 Cb 0.41 -0.23 -0.10 0.00 1.00 0.00 0.00 33.01 34.09 3d4u s GLN 11 CO 0.15 0.03 0.94 0.71 -2.12 0.00 0.00 175.29 175.00 3d4u s TYR 12 N -1.73 3.67 0.03 0.91 2.02 -1.26 -5.01 117.35 115.98 3d4u s TYR 12 Ca -0.07 1.77 0.08 0.00 -0.37 0.00 0.00 57.07 58.47 3d4u s TYR 12 Cb -0.08 -2.91 -0.03 0.00 -0.40 0.00 0.00 41.96 38.54 3d4u s TYR 12 CO -0.01 0.20 -0.24 -1.01 -1.57 0.00 0.00 175.55 172.92 3d4u s HIS 13 N -1.65 2.11 0.96 2.71 3.76 -1.26 -5.14 115.29 116.78 3d4u s HIS 13 Ca 0.51 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.90 3d4u s HIS 13 Cb -0.18 -1.28 0.16 0.00 1.11 0.00 0.00 32.58 32.39 3d4u s HIS 13 CO 0.23 0.08 1.10 -1.54 -0.85 0.00 0.00 174.74 173.75 3d4u s SER 14 N -1.06 2.98 0.19 1.40 1.04 -1.26 -4.77 113.70 112.21 3d4u s SER 14 Ca 0.10 1.25 -0.12 0.00 0.48 0.00 0.00 55.95 57.66 3d4u s SER 14 Cb -0.09 -1.92 0.15 0.00 0.10 0.00 0.00 66.02 64.25 3d4u s SER 14 CO 0.01 -2.92 1.80 0.25 0.98 0.00 0.00 173.24 173.37 3d4u h LEU 15 N -1.74 0.47 -0.57 2.42 5.85 -1.95 0.05 115.31 119.82 3d4u h LEU 15 Ca -0.53 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.28 3d4u h LEU 15 Cb 1.32 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3d4u h LEU 15 CO 0.57 0.32 0.25 0.78 -0.34 0.00 0.00 178.44 180.02 3d4u h ASN 16 N 0.59 0.31 -0.29 1.25 -0.26 -2.00 -1.29 115.58 113.90 3d4u h ASN 16 Ca 0.24 0.05 -0.11 0.00 -0.56 0.00 0.00 56.30 55.92 3d4u h ASN 16 Cb 0.10 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 3d4u h ASN 16 CO -0.14 0.20 -0.19 -0.33 -1.06 0.00 0.00 177.43 175.92 3d4u h GLU 17 N 0.47 0.75 -0.40 0.81 5.08 -1.72 -2.11 114.58 117.46 3d4u h GLU 17 Ca 0.27 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3d4u h GLU 17 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3d4u h GLU 17 CO -0.24 0.88 -0.23 0.82 -1.00 0.00 0.00 179.01 179.25 3d4u h ILE 18 N 0.66 1.27 -0.64 3.13 2.04 -0.45 0.25 117.51 123.77 3d4u h ILE 18 Ca 0.10 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 3d4u h ILE 18 Cb 0.68 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3d4u h ILE 18 CO 0.05 0.45 0.33 1.88 0.00 0.00 0.00 178.15 180.86 3d4u h TYR 19 N 0.69 0.90 -0.92 1.37 0.99 -0.97 -0.77 116.97 118.26 3d4u h TYR 19 Ca 0.09 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.81 3d4u h TYR 19 Cb 0.75 -0.28 -0.05 0.00 1.00 0.00 0.00 36.73 38.15 3d4u h TYR 19 CO 0.04 0.67 0.61 0.77 -0.00 0.00 0.00 178.16 180.24 3d4u h SER 20 N 0.88 1.04 -0.62 3.88 0.02 -1.03 -2.68 113.55 115.03 3d4u h SER 20 Ca 0.22 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3d4u h SER 20 Cb 0.08 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3d4u h SER 20 CO -0.03 0.74 0.15 -0.25 -1.14 0.00 0.00 176.83 176.30 3d4u h TRP 21 N 1.22 1.04 -0.59 3.45 7.01 -0.52 -1.50 115.95 126.05 3d4u h TRP 21 Ca 0.35 -0.12 0.02 0.00 2.11 0.00 0.00 58.89 61.25 3d4u h TRP 21 Cb -0.09 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.64 3d4u h TRP 21 CO -0.01 0.87 0.38 0.82 -2.79 0.00 0.00 178.44 177.71 3d4u h ILE 22 N 0.91 1.10 -0.25 2.65 2.04 -0.92 -0.65 117.51 122.39 3d4u h ILE 22 Ca 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3d4u h ILE 22 Cb 0.35 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3d4u h ILE 22 CO 0.00 0.14 0.13 -0.33 0.00 0.00 0.00 178.15 178.09 3d4u h GLU 23 N 0.75 0.35 -0.51 2.37 4.39 -1.27 -2.48 114.58 118.18 3d4u h GLU 23 Ca 0.23 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.89 3d4u h GLU 23 Cb -0.03 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3d4u h GLU 23 CO -0.08 0.33 0.34 0.28 -1.16 0.00 0.00 179.01 178.71 3d4u h VAL 24 N 0.28 1.13 -0.49 3.13 2.07 -0.88 -2.35 116.25 119.14 3d4u h VAL 24 Ca 0.09 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3d4u h VAL 24 Cb 0.08 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3d4u h VAL 24 CO -0.01 0.13 0.08 0.24 0.02 0.00 0.00 177.57 178.02 3d4u h MET 25 N 0.69 0.76 0.00 1.57 2.86 -0.94 0.20 114.93 120.07 3d4u h MET 25 Ca 0.19 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3d4u h MET 25 Cb -0.07 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 3d4u h MET 25 CO -0.04 0.72 -0.13 1.79 1.06 0.00 0.00 176.91 180.30 3d4u h THR 26 N 0.73 0.30 0.18 2.22 1.35 -1.20 -1.60 112.91 114.89 3d4u h THR 26 Ca 0.16 -0.97 -0.31 0.00 -0.55 0.00 0.00 66.41 64.74 3d4u h THR 26 Cb 0.33 1.76 0.02 0.00 -1.73 0.00 0.00 68.15 68.53 3d4u h THR 26 CO 0.01 0.13 -1.48 -0.33 -0.25 0.00 0.00 175.52 173.59 3d4u h GLU 27 N 0.00 0.39 -0.38 4.72 5.08 -0.77 -3.25 114.58 120.37 3d4u h GLU 27 Ca -0.00 -0.66 -0.13 0.00 -1.00 0.00 0.00 59.36 57.56 3d4u h GLU 27 Cb 0.75 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3d4u h GLU 27 CO 0.02 1.32 -0.29 0.00 -1.00 0.00 0.00 179.01 179.05 3d4u h ARG 28 N -0.04 0.86 -2.24 2.33 3.08 -0.97 -3.36 114.38 114.03 3d4u h ARG 28 Ca -0.29 -0.42 -0.57 0.00 0.07 0.00 0.00 59.98 58.77 3d4u h ARG 28 Cb 1.98 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.61 3d4u h ARG 28 CO 0.17 1.07 -0.73 0.66 -1.07 0.00 0.00 179.97 180.07 3d4u n TYR 29 N -4.16 3.39 0.27 3.04 4.02 -0.61 -4.93 117.16 118.19 3d4u n TYR 29 Ca -0.02 -3.97 0.12 0.00 -0.01 0.00 0.00 57.90 54.02 3d4u n TYR 29 Cb 0.49 -0.48 0.78 0.00 -0.02 0.00 0.00 39.34 40.11 3d4u n TYR 29 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3d4u h PRO 30 N 3.05 0.00 -0.01 -0.72 0.13 -1.72 0.58 132.00 133.31 3d4u h PRO 30 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3d4u h PRO 30 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3d4u h PRO 30 CO 0.77 0.06 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.28 3d4u n ASP 31 N -3.92 1.44 0.00 1.44 10.43 -1.26 -4.35 116.55 120.33 3d4u n ASP 31 Ca -0.03 -1.37 0.00 0.00 2.57 0.00 0.00 54.79 55.97 3d4u n ASP 31 Cb 0.15 0.04 0.00 0.00 1.84 0.00 0.00 41.12 43.14 3d4u n ASP 31 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 3d4u n MET 32 N 0.01 2.59 -4.15 -1.24 2.81 -0.01 -4.75 117.12 112.39 3d4u n MET 32 Ca 0.17 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.78 3d4u n MET 32 Cb 0.36 -0.96 -0.17 0.00 -0.71 0.00 0.00 33.22 31.75 3d4u n MET 32 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3d4u s VAL 33 N -1.88 1.34 -0.05 2.03 1.01 -0.01 -0.63 120.40 122.21 3d4u s VAL 33 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3d4u s VAL 33 Cb 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 3d4u s VAL 33 CO 0.00 0.42 -0.19 -0.70 0.00 0.00 0.00 175.10 174.63 3d4u s GLU 34 N 1.35 1.94 -0.03 2.72 2.12 -0.39 -4.57 118.70 121.84 3d4u s GLU 34 Ca 0.00 -0.67 -0.13 0.00 0.36 0.00 0.00 54.97 54.53 3d4u s GLU 34 Cb -0.14 -1.68 -0.05 0.00 0.26 0.00 0.00 34.13 32.53 3d4u s GLU 34 CO -0.06 0.27 0.35 -1.59 -0.54 0.00 0.00 175.26 173.69 3d4u s LYS 35 N 0.01 3.84 -0.14 4.30 -2.85 -1.26 -0.36 119.74 123.28 3d4u s LYS 35 Ca -0.04 0.29 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 3d4u s LYS 35 Cb -0.12 -3.23 0.02 0.00 -2.06 0.00 0.00 37.83 32.45 3d4u s LYS 35 CO 0.03 0.68 -0.12 0.42 0.10 0.00 0.00 175.35 176.45 3d4u s ILE 36 N -0.98 1.42 -0.11 3.79 1.01 0.57 -4.97 121.20 121.94 3d4u s ILE 36 Ca 0.22 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 3d4u s ILE 36 Cb -0.16 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3d4u s ILE 36 CO 0.11 0.43 1.25 -2.28 0.00 0.00 0.00 174.94 174.46 3d4u s HIS 37 N 1.52 2.97 -0.27 3.97 5.65 -1.26 -1.17 115.29 126.70 3d4u s HIS 37 Ca 0.04 1.06 0.06 0.00 0.25 0.00 0.00 55.06 56.48 3d4u s HIS 37 Cb -0.13 -3.49 -0.07 0.00 -1.18 0.00 0.00 32.58 27.72 3d4u s HIS 37 CO -0.10 -1.63 0.25 0.44 -0.65 0.00 0.00 174.74 173.05 3d4u n ILE 38 N 5.03 0.00 -3.22 0.89 -5.35 0.36 -4.98 119.36 112.10 3d4u n ILE 38 Ca 0.13 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3d4u n ILE 38 Cb 0.45 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 3d4u n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d4u n GLY 39 N 1.21 -0.50 2.95 3.28 0.00 -1.21 -4.62 105.19 106.30 3d4u n GLY 39 Ca 0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 3d4u n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d4u s SER 40 N -4.00 0.19 1.00 1.61 0.01 -1.26 -0.91 113.70 110.34 3d4u s SER 40 Ca 0.00 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 56.74 3d4u s SER 40 Cb 0.00 0.07 0.19 0.00 0.21 0.00 0.00 66.02 66.49 3d4u s SER 40 CO 0.00 -0.22 1.16 -0.94 0.41 0.00 0.00 173.24 173.65 3d4u s SER 41 N -1.08 2.71 0.28 2.44 1.04 0.74 -4.34 113.70 115.49 3d4u s SER 41 Ca -0.12 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.10 3d4u s SER 41 Cb -0.07 -1.19 0.51 0.00 0.10 0.00 0.00 66.02 65.37 3d4u s SER 41 CO -0.01 -3.03 1.86 0.22 0.98 0.00 0.00 173.24 173.26 3d4u h TYR 42 N -1.83 1.15 -0.05 5.02 5.03 -1.94 -0.89 116.97 123.46 3d4u h TYR 42 Ca -0.49 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.86 3d4u h TYR 42 Cb 1.31 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 39.22 3d4u h TYR 42 CO -0.56 0.51 0.00 0.39 -1.32 0.00 0.00 178.16 177.18 3d4u n GLU 43 N -4.57 1.16 -1.84 1.82 1.02 -1.26 -4.90 120.64 112.07 3d4u n GLU 43 Ca 0.17 -0.24 -0.07 0.00 -0.02 0.00 0.00 57.16 57.01 3d4u n GLU 43 Cb 0.29 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.50 3d4u n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d4u n LYS 44 N -0.44 -0.51 -2.91 3.49 4.76 -0.34 -5.05 118.16 117.16 3d4u n LYS 44 Ca 0.09 0.45 -0.36 0.00 -2.87 0.00 0.00 58.31 55.62 3d4u n LYS 44 Cb 0.09 -4.29 -0.06 0.00 -1.84 0.00 0.00 35.03 28.93 3d4u n LYS 44 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3d4u s TYR 45 N -2.30 3.62 0.41 2.13 2.02 -1.26 -4.78 117.35 117.19 3d4u s TYR 45 Ca 0.00 1.60 -0.24 0.00 -0.37 0.00 0.00 57.07 58.07 3d4u s TYR 45 Cb 0.00 -2.79 -0.09 0.00 -0.40 0.00 0.00 41.96 38.68 3d4u s TYR 45 CO 0.00 0.21 1.06 -1.25 -1.57 0.00 0.00 175.55 174.00 3d4u s PRO 46 N -2.19 4.12 -0.20 -1.71 0.04 -1.26 -0.18 135.00 133.61 3d4u s PRO 46 Ca 0.49 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 3d4u s PRO 46 Cb -0.16 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 3d4u s PRO 46 CO 0.21 -0.18 -0.05 -0.51 0.04 0.00 0.00 177.00 176.52 3d4u s LEU 47 N -2.70 2.95 0.00 -3.56 1.43 -0.08 -4.84 118.68 111.87 3d4u s LEU 47 Ca 0.59 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 3d4u s LEU 47 Cb -0.22 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3d4u s LEU 47 CO 0.28 0.03 -0.26 -0.31 0.23 0.00 0.00 176.35 176.32 3d4u s TYR 48 N 1.20 2.29 -0.02 0.29 1.51 -1.26 -0.49 117.35 120.87 3d4u s TYR 48 Ca 0.02 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 3d4u s TYR 48 Cb -0.14 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3d4u s TYR 48 CO -0.01 0.02 -0.02 0.08 -1.11 0.00 0.00 175.55 174.50 3d4u s VAL 49 N -0.67 4.00 -0.23 0.71 1.01 -0.31 -4.54 120.40 120.36 3d4u s VAL 49 Ca 0.10 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 3d4u s VAL 49 Cb -0.10 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3d4u s VAL 49 CO 0.00 0.45 0.13 -0.76 0.00 0.00 0.00 175.10 174.93 3d4u s LEU 50 N -1.30 4.01 -0.21 3.92 1.43 0.72 -0.32 118.68 126.94 3d4u s LEU 50 Ca 0.17 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.17 3d4u s LEU 50 Cb -0.11 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3d4u s LEU 50 CO 0.07 0.09 0.55 -0.75 0.23 0.00 0.00 176.35 176.54 3d4u s LYS 51 N 0.92 4.17 -0.19 1.70 2.20 0.52 -0.40 119.74 128.66 3d4u s LYS 51 Ca 0.07 0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 56.12 3d4u s LYS 51 Cb -0.13 -3.58 -0.00 0.00 -1.51 0.00 0.00 37.83 32.60 3d4u s LYS 51 CO 0.03 -0.22 -0.11 0.08 -0.36 0.00 0.00 175.35 174.77 3d4u s VAL 52 N 1.86 2.90 0.27 4.02 1.01 0.96 -1.26 120.40 130.16 3d4u s VAL 52 Ca 0.25 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3d4u s VAL 52 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3d4u s VAL 52 CO 0.10 0.48 0.52 -0.94 0.00 0.00 0.00 175.10 175.26 3d4u s SER 53 N 1.19 0.02 0.02 3.32 1.04 0.20 -0.89 113.70 118.61 3d4u s SER 53 Ca 0.02 -0.99 -0.23 0.00 0.48 0.00 0.00 55.95 55.23 3d4u s SER 53 Cb -0.14 0.63 -0.13 0.00 0.10 0.00 0.00 66.02 66.48 3d4u s SER 53 CO -0.04 -1.22 1.14 0.07 0.98 0.00 0.00 173.24 174.17 3d4u h LYS 54 N 2.20 -0.81 0.00 4.02 5.09 -1.85 -3.39 116.57 121.82 3d4u h LYS 54 Ca -0.26 0.06 -0.06 0.00 0.09 0.00 0.00 60.65 60.47 3d4u h LYS 54 Cb 1.25 0.18 -0.13 0.00 0.10 0.00 0.00 32.23 33.63 3d4u h LYS 54 CO 0.35 -0.54 -0.66 1.17 -2.09 0.00 0.00 179.45 177.68 3d4u n LYS 59 N -4.73 0.11 -1.19 0.07 3.00 -1.26 -4.75 118.16 109.41 3d4u n LYS 59 Ca -0.10 -1.49 -0.31 0.00 -0.00 0.00 0.00 58.31 56.40 3d4u n LYS 59 Cb 0.33 -0.41 0.11 0.00 0.00 0.00 0.00 35.03 35.05 3d4u n LYS 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3d4u s ASN 60 N -1.51 4.20 0.08 3.14 0.01 -1.26 -4.78 114.94 114.83 3d4u s ASN 60 Ca 0.14 1.82 0.02 0.00 -0.71 0.00 0.00 52.86 54.13 3d4u s ASN 60 Cb 0.16 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 3d4u s ASN 60 CO -0.06 -2.23 -0.07 0.00 -1.51 0.00 0.00 177.10 173.24 3d4u s ALA 61 N -2.88 0.85 -0.07 0.60 0.00 0.18 -1.49 121.76 118.95 3d4u s ALA 61 Ca 0.62 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 51.44 3d4u s ALA 61 Cb -0.18 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3d4u s ALA 61 CO 0.56 -0.19 -0.25 1.41 0.00 0.00 0.00 175.76 177.30 3d4u s MET 62 N -3.25 2.65 -0.11 0.00 1.75 -0.51 -0.34 119.30 119.48 3d4u s MET 62 Ca 0.06 -0.89 -0.14 0.00 -1.25 0.00 0.00 55.69 53.47 3d4u s MET 62 Cb 0.01 -2.18 -0.05 0.00 2.84 0.00 0.00 34.83 35.46 3d4u s MET 62 CO -0.04 0.33 0.33 -0.46 -0.65 0.00 0.00 175.02 174.53 3d4u s TRP 63 N -0.04 3.55 -0.10 4.11 -0.11 -0.45 -0.80 118.94 125.10 3d4u s TRP 63 Ca -0.07 0.72 0.01 0.00 1.22 0.00 0.00 56.10 57.98 3d4u s TRP 63 Cb -0.15 -2.31 0.02 0.00 -1.50 0.00 0.00 33.47 29.53 3d4u s TRP 63 CO 0.05 0.38 -0.13 0.42 -4.62 0.00 0.00 176.95 173.05 3d4u s ILE 64 N -0.05 1.29 0.14 5.86 1.01 0.27 -0.93 121.20 128.79 3d4u s ILE 64 Ca 0.19 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.40 3d4u s ILE 64 Cb -0.14 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3d4u s ILE 64 CO 0.07 0.40 -0.07 1.51 0.00 0.00 0.00 174.94 176.85 3d4u s ASP 65 N 1.04 4.48 0.15 3.58 1.47 -0.66 -1.09 116.67 125.64 3d4u s ASP 65 Ca -0.07 -0.44 0.04 0.00 1.18 0.00 0.00 52.55 53.26 3d4u s ASP 65 Cb -0.15 -0.86 -0.04 0.00 -0.34 0.00 0.00 42.92 41.52 3d4u s ASP 65 CO -0.01 0.13 -0.08 0.00 0.68 0.00 0.00 175.17 175.89 3d4u n GLY 67 N -0.19 0.09 0.28 0.00 0.00 -1.26 -1.16 105.19 102.95 3d4u n GLY 67 Ca -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 3d4u n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3d4u h ILE 68 N 0.00 1.22 -3.48 -0.61 2.10 -1.91 -1.53 117.51 113.29 3d4u h ILE 68 Ca -0.31 -0.88 -0.65 0.00 1.08 0.00 0.00 64.86 64.10 3d4u h ILE 68 Cb 1.17 0.92 -0.24 0.00 -1.09 0.00 0.00 36.82 37.58 3d4u h ILE 68 CO 0.38 0.30 -0.67 -1.00 -1.08 0.00 0.00 178.15 176.08 3d4u s HIS 69 N -4.97 3.02 0.21 2.19 3.76 -1.26 -4.53 115.29 113.71 3d4u s HIS 69 Ca -0.08 -0.61 -0.09 0.00 -0.15 0.00 0.00 55.06 54.13 3d4u s HIS 69 Cb 0.15 -2.14 0.15 0.00 1.11 0.00 0.00 32.58 31.86 3d4u s HIS 69 CO 0.78 -0.38 1.83 0.00 -0.85 0.00 0.00 174.74 176.12 3d4u h ALA 70 N 7.91 0.98 0.00 -1.40 0.00 -1.59 -2.48 119.26 122.68 3d4u h ALA 70 Ca -0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3d4u h ALA 70 Cb 1.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3d4u h ALA 70 CO 0.60 0.49 0.00 2.89 0.00 0.00 0.00 179.25 183.23 3d4u n ARG 71 N -4.44 0.12 -2.13 0.00 1.85 -0.71 -4.34 116.66 107.00 3d4u n ARG 71 Ca 0.07 0.12 -0.42 0.00 -1.00 0.00 0.00 57.85 56.61 3d4u n ARG 71 Cb 0.09 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 3d4u n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3d4u n GLU 72 N -1.42 3.36 0.25 2.89 1.02 -0.94 -4.79 120.64 121.02 3d4u n GLU 72 Ca 0.07 -3.21 0.08 0.00 -0.02 0.00 0.00 57.16 54.08 3d4u n GLU 72 Cb 0.22 -3.05 0.62 0.00 -0.02 0.00 0.00 31.44 29.21 3d4u n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3d4u h TRP 73 N 5.84 0.00 0.00 -0.32 4.06 -1.77 -0.82 115.95 122.93 3d4u h TRP 73 Ca 0.45 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.38 3d4u h TRP 73 Cb 0.63 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.79 3d4u h TRP 73 CO 1.32 0.11 -0.09 0.97 -3.56 0.00 0.00 178.44 177.19 3d4u h ILE 74 N 0.00 0.49 0.61 1.49 6.09 -1.86 -2.90 117.51 121.42 3d4u h ILE 74 Ca -0.00 -0.45 -0.03 0.00 -1.37 0.00 0.00 64.86 63.01 3d4u h ILE 74 Cb 0.21 1.30 0.01 0.00 0.47 0.00 0.00 36.82 38.81 3d4u h ILE 74 CO 0.01 0.09 -0.29 -1.28 -3.07 0.00 0.00 178.15 173.61 3d4u h SER 75 N 0.00 -0.69 -0.77 2.19 0.87 -1.46 -1.57 113.55 112.12 3d4u h SER 75 Ca -0.00 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.73 3d4u h SER 75 Cb 0.30 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 3d4u h SER 75 CO 0.01 -0.41 0.51 -0.65 -0.53 0.00 0.00 176.83 175.76 3d4u h PRO 76 N -0.98 0.47 -0.95 2.24 0.11 -1.70 -1.00 132.00 130.18 3d4u h PRO 76 Ca -0.08 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.08 3d4u h PRO 76 Cb 0.63 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.57 3d4u h PRO 76 CO 0.14 0.31 0.61 0.00 -0.21 0.00 0.00 178.00 178.85 3d4u h ALA 77 N 1.64 1.50 -0.25 -0.75 0.00 -1.41 -1.19 119.26 118.80 3d4u h ALA 77 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3d4u h ALA 77 Cb 0.79 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3d4u h ALA 77 CO -0.13 0.34 0.12 0.35 0.00 0.00 0.00 179.25 179.92 3d4u h PHE 78 N 1.05 0.36 -0.92 0.00 3.57 -0.14 -0.74 116.94 120.12 3d4u h PHE 78 Ca 0.42 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.91 3d4u h PHE 78 Cb 0.26 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3d4u h PHE 78 CO -0.00 0.34 0.58 0.00 -2.23 0.00 0.00 178.31 177.00 3d4u h LEU 80 N 1.26 0.46 -0.61 0.00 4.07 -1.17 -2.25 115.31 117.07 3d4u h LEU 80 Ca 0.33 -0.13 0.07 0.00 0.08 0.00 0.00 57.88 58.23 3d4u h LEU 80 Cb -0.10 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.47 3d4u h LEU 80 CO -0.07 0.46 0.29 -0.25 -1.08 0.00 0.00 178.44 177.80 3d4u h TRP 81 N 0.43 0.53 0.41 1.13 2.91 -0.45 0.21 115.95 121.12 3d4u h TRP 81 Ca 0.12 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 3d4u h TRP 81 Cb 0.13 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 28.63 3d4u h TRP 81 CO -0.01 0.22 -0.23 0.35 -1.03 0.00 0.00 178.44 177.73 3d4u h PHE 82 N 0.54 -0.61 -0.54 2.65 3.57 -0.55 0.54 116.94 122.54 3d4u h PHE 82 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3d4u h PHE 82 Cb 0.25 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3d4u h PHE 82 CO -0.12 -0.37 0.25 0.28 -2.23 0.00 0.00 178.31 176.13 3d4u h VAL 83 N -0.61 1.21 -0.73 1.41 2.07 -1.11 -1.39 116.25 117.10 3d4u h VAL 83 Ca -0.05 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3d4u h VAL 83 Cb 0.49 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3d4u h VAL 83 CO 0.06 0.24 0.44 1.23 0.02 0.00 0.00 177.57 179.56 3d4u h GLY 84 N 0.73 1.06 0.71 2.17 0.00 -0.85 -2.44 103.07 104.45 3d4u h GLY 84 Ca 0.18 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3d4u h GLY 84 CO -0.02 0.25 0.00 0.23 0.00 0.00 0.00 176.54 177.00 3d4u h SER 85 N 0.84 0.04 0.75 0.19 0.87 -0.57 -2.29 113.55 113.38 3d4u h SER 85 Ca 0.30 -0.31 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 3d4u h SER 85 Cb 0.09 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3d4u h SER 85 CO -0.14 0.34 -0.61 -0.37 -0.53 0.00 0.00 176.83 175.52 3d4u h VAL 86 N -0.25 1.34 0.00 2.23 -1.51 -1.21 -1.48 116.25 115.37 3d4u h VAL 86 Ca 0.01 -2.17 -0.21 0.00 -1.23 0.00 0.00 66.70 63.09 3d4u h VAL 86 Cb 0.32 2.20 0.02 0.00 -2.13 0.00 0.00 31.29 31.70 3d4u h VAL 86 CO 0.00 0.60 -0.83 0.71 -1.23 0.00 0.00 177.57 176.83 3d4u h THR 87 N 0.00 1.35 -0.09 7.19 1.35 -1.50 -3.02 112.91 118.20 3d4u h THR 87 Ca -0.01 -2.17 -0.04 0.00 -0.55 0.00 0.00 66.41 63.65 3d4u h THR 87 Cb 1.15 2.50 -0.00 0.00 -1.73 0.00 0.00 68.15 70.08 3d4u h THR 87 CO 0.08 0.65 -0.09 0.22 -0.25 0.00 0.00 175.52 176.14 3d4u h TYR 88 N 0.14 0.25 -0.17 4.73 5.03 -1.33 -3.24 116.97 122.39 3d4u h TYR 88 Ca -0.10 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.13 3d4u h TYR 88 Cb 1.51 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.74 3d4u h TYR 88 CO 0.13 0.64 0.00 0.66 -1.32 0.00 0.00 178.16 178.27 3d4u n TYR 89 N -4.68 0.21 -1.70 -3.82 4.02 -0.57 -4.86 117.16 105.76 3d4u n TYR 89 Ca -0.07 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.90 57.29 3d4u n TYR 89 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.61 3d4u n TYR 89 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3d4u s TYR 90 N -1.79 1.34 -0.62 -0.72 5.04 -1.14 -1.59 117.35 117.87 3d4u s TYR 90 Ca 0.30 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 3d4u s TYR 90 Cb 0.16 -4.20 0.00 0.00 0.35 0.00 0.00 41.96 38.27 3d4u s TYR 90 CO 0.24 -5.31 0.00 0.41 -1.34 0.00 0.00 175.55 169.54 3d4u n GLY 91 N 4.59 0.46 0.00 8.97 0.00 -1.26 -5.07 105.19 112.87 3d4u n GLY 91 Ca 0.20 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3d4u n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d4u n LYS 92 N -2.17 3.58 0.00 1.61 5.02 -0.62 -5.26 118.16 120.32 3d4u n LYS 92 Ca -0.07 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3d4u n LYS 92 Cb 0.40 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 3d4u n LYS 92 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3d4u n ASN 98 N -1.26 0.00 -0.31 4.39 6.94 -1.26 -5.16 115.26 118.60 3d4u n ASN 98 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.61 3d4u n ASN 98 Cb 0.01 0.00 0.20 0.00 -2.36 0.00 0.00 39.78 37.63 3d4u n ASN 98 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3d4u h LEU 99 N 0.00 0.73 0.00 -4.53 3.38 -1.98 -2.66 115.31 110.25 3d4u h LEU 99 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d4u h LEU 99 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3d4u h LEU 99 CO 0.00 0.39 -0.07 0.18 0.09 0.00 0.00 178.44 179.04 3d4u n LEU 100 N -4.72 0.65 -0.14 1.67 4.77 -1.26 -3.98 117.00 113.99 3d4u n LEU 100 Ca 0.16 0.52 -0.05 0.00 -0.03 0.00 0.00 56.01 56.61 3d4u n LEU 100 Cb 0.33 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3d4u n LEU 100 CO 0.26 -0.13 0.72 0.50 -1.33 0.00 0.00 177.39 177.41 3d4u h LYS 101 N 0.00 -0.10 0.00 3.23 1.63 -1.93 -3.07 116.57 116.33 3d4u h LYS 101 Ca 0.00 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 3d4u h LYS 101 Cb 0.69 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.28 3d4u h LYS 101 CO 0.00 -0.07 -0.41 0.72 -3.45 0.00 0.00 179.45 176.25 3d4u n HIS 102 N -5.39 0.00 -3.73 1.91 8.25 -1.26 -5.04 115.22 109.96 3d4u n HIS 102 Ca 0.03 -0.89 -0.12 0.00 -0.26 0.00 0.00 57.72 56.48 3d4u n HIS 102 Cb 0.29 -0.16 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 3d4u n HIS 102 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3d4u s MET 103 N -2.01 0.39 0.39 -0.41 -2.45 -1.16 -4.49 119.30 109.56 3d4u s MET 103 Ca 0.28 0.62 -0.02 0.00 -1.25 0.00 0.00 55.69 55.33 3d4u s MET 103 Cb 0.27 0.08 -0.03 0.00 1.25 0.00 0.00 34.83 36.40 3d4u s MET 103 CO -0.04 -0.10 0.63 -0.51 1.05 0.00 0.00 175.02 176.05 3d4u s ASP 104 N 0.77 6.28 -0.01 1.11 1.01 -0.56 -4.33 116.67 120.95 3d4u s ASP 104 Ca -0.05 0.62 0.04 0.00 0.71 0.00 0.00 52.55 53.88 3d4u s ASP 104 Cb -0.06 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 3d4u s ASP 104 CO -0.06 -0.39 -0.14 -0.36 0.21 0.00 0.00 175.17 174.43 3d4u s PHE 105 N -2.47 1.27 -0.29 4.23 0.08 -0.06 -1.43 117.98 119.31 3d4u s PHE 105 Ca 0.43 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.16 3d4u s PHE 105 Cb -0.10 -0.82 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 3d4u s PHE 105 CO 0.39 -0.03 0.08 0.71 -0.10 0.00 0.00 175.22 176.27 3d4u s TYR 106 N -0.30 3.15 -0.18 0.36 2.02 0.02 -0.03 117.35 122.38 3d4u s TYR 106 Ca 0.05 -1.00 -0.03 0.00 -0.37 0.00 0.00 57.07 55.72 3d4u s TYR 106 Cb -0.06 -2.25 -0.01 0.00 -0.40 0.00 0.00 41.96 39.24 3d4u s TYR 106 CO -0.00 -0.58 -0.06 0.42 -1.57 0.00 0.00 175.55 173.75 3d4u s ILE 107 N 1.49 3.41 -0.51 2.71 -1.09 0.46 -0.57 121.20 127.10 3d4u s ILE 107 Ca 0.02 -0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 3d4u s ILE 107 Cb -0.17 -2.51 0.13 0.00 -1.58 0.00 0.00 42.46 38.33 3d4u s ILE 107 CO 0.02 0.47 0.30 -0.32 -1.23 0.00 0.00 174.94 174.18 3d4u s MET 108 N 0.93 2.21 0.40 2.79 1.75 -0.25 -0.20 119.30 126.93 3d4u s MET 108 Ca -0.01 -2.22 0.16 0.00 -1.25 0.00 0.00 55.69 52.37 3d4u s MET 108 Cb -0.15 -3.59 0.83 0.00 2.84 0.00 0.00 34.83 34.76 3d4u s MET 108 CO 0.01 -1.11 1.85 -1.00 -0.65 0.00 0.00 175.02 174.11 3d4u h PRO 109 N 7.41 0.00 -2.44 4.11 0.13 -1.83 -0.66 132.00 138.73 3d4u h PRO 109 Ca -0.07 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.67 3d4u h PRO 109 Cb 0.99 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.76 3d4u h PRO 109 CO 0.69 0.33 -0.68 0.08 -0.23 0.00 0.00 178.00 178.19 3d4u s VAL 110 N -4.09 -0.28 0.07 1.56 1.01 -1.23 -4.13 120.40 113.31 3d4u s VAL 110 Ca -0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 3d4u s VAL 110 Cb 0.14 -0.91 -0.11 0.00 0.00 0.00 0.00 36.38 35.50 3d4u s VAL 110 CO 0.70 -0.49 1.39 0.58 0.00 0.00 0.00 175.10 177.29 3d4u h VAL 111 N 6.32 1.32 -2.93 2.92 2.07 -1.18 -3.36 116.25 121.41 3d4u h VAL 111 Ca -0.16 -1.35 -0.81 0.00 0.82 0.00 0.00 66.70 65.20 3d4u h VAL 111 Cb 1.07 1.69 -0.28 0.00 -1.52 0.00 0.00 31.29 32.26 3d4u h VAL 111 CO 0.35 0.42 0.80 -3.20 0.02 0.00 0.00 177.57 175.96 3d4u n ASN 112 N -4.42 6.30 -0.21 0.57 5.15 -0.58 -4.84 115.26 117.23 3d4u n ASN 112 Ca -0.05 -3.37 -0.02 0.00 -0.60 0.00 0.00 54.58 50.55 3d4u n ASN 112 Cb 0.41 -1.29 0.19 0.00 -0.53 0.00 0.00 39.78 38.56 3d4u n ASN 112 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 3d4u h VAL 113 N 3.46 1.22 -0.25 3.44 -1.51 -1.85 -0.49 116.25 120.27 3d4u h VAL 113 Ca 0.20 -0.58 -0.11 0.00 -1.23 0.00 0.00 66.70 64.99 3d4u h VAL 113 Cb 0.64 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.07 3d4u h VAL 113 CO 1.31 0.25 -0.28 0.44 -1.23 0.00 0.00 177.57 178.06 3d4u h ASP 114 N 1.00 0.68 -0.57 4.19 3.32 -1.96 -1.21 116.42 121.88 3d4u h ASP 114 Ca 0.25 -0.49 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 3d4u h ASP 114 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3d4u h ASP 114 CO -0.04 1.03 -0.06 1.23 -1.72 0.00 0.00 179.24 179.68 3d4u h GLY 115 N 0.35 1.14 1.00 2.75 0.00 -1.74 -1.71 103.07 104.85 3d4u h GLY 115 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.49 3d4u h GLY 115 CO 0.07 0.81 0.16 -1.82 0.00 0.00 0.00 176.54 175.76 3d4u h TYR 116 N 0.95 0.32 -0.99 5.60 3.20 -0.92 -0.15 116.97 124.97 3d4u h TYR 116 Ca 0.16 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 3d4u h TYR 116 Cb 0.63 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 3d4u h TYR 116 CO 0.04 0.21 0.65 0.22 -1.64 0.00 0.00 178.16 177.64 3d4u h ASP 117 N 0.34 1.09 -0.65 -2.11 3.58 -1.11 -2.14 116.42 115.41 3d4u h ASP 117 Ca 0.09 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 3d4u h ASP 117 Cb -0.03 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 3d4u h ASP 117 CO -0.02 0.75 0.29 0.22 -2.88 0.00 0.00 179.24 177.61 3d4u h TYR 118 N 1.27 0.98 0.00 0.28 3.20 -0.67 -2.15 116.97 119.88 3d4u h TYR 118 Ca 0.39 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.13 3d4u h TYR 118 Cb -0.03 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 3d4u h TYR 118 CO -0.00 0.73 -0.38 1.79 -1.64 0.00 0.00 178.16 178.66 3d4u h THR 119 N 0.96 1.07 -0.27 1.81 1.35 -0.41 0.12 112.91 117.54 3d4u h THR 119 Ca 0.23 -1.39 -0.14 0.00 -0.55 0.00 0.00 66.41 64.56 3d4u h THR 119 Cb 0.15 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3d4u h THR 119 CO -0.02 0.37 -0.40 -0.50 -0.25 0.00 0.00 175.52 174.72 3d4u h TRP 120 N 0.00 0.91 0.00 4.73 4.06 -0.92 -3.22 115.95 121.51 3d4u h TRP 120 Ca -0.00 -0.31 -0.18 0.00 2.06 0.00 0.00 58.89 60.46 3d4u h TRP 120 Cb 0.76 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.71 3d4u h TRP 120 CO 0.00 1.08 -2.00 1.63 -3.56 0.00 0.00 178.44 175.59 3d4u n LYS 121 N -4.18 1.01 0.02 0.49 5.02 -0.91 -4.90 118.16 114.71 3d4u n LYS 121 Ca -0.05 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3d4u n LYS 121 Cb 0.54 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3d4u n LYS 121 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3d4u n LYS 122 N -2.41 0.00 -3.40 1.97 5.02 0.27 -5.05 118.16 114.55 3d4u n LYS 122 Ca -0.18 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.93 3d4u n LYS 122 Cb 0.81 -0.28 -0.09 0.00 -0.02 0.00 0.00 35.03 35.44 3d4u n LYS 122 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3d4u s ASP 123 N -5.09 1.68 0.58 4.39 -1.08 -0.35 -5.02 116.67 111.78 3d4u s ASP 123 Ca 0.00 -1.16 0.28 0.00 -0.52 0.00 0.00 52.55 51.15 3d4u s ASP 123 Cb 0.00 0.42 1.53 0.00 -1.46 0.00 0.00 42.92 43.42 3d4u s ASP 123 CO 0.00 -0.34 1.98 -0.09 0.52 0.00 0.00 175.17 177.24 3d4u h ARG 124 N 7.78 0.00 -0.57 4.34 9.65 -1.79 -1.73 114.38 132.05 3d4u h ARG 124 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3d4u h ARG 124 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 3d4u h ARG 124 CO 0.29 0.00 0.00 -1.33 2.80 0.00 0.00 179.97 181.73 3d4u n MET 125 N -3.82 2.42 -2.03 0.20 2.81 -1.26 -4.57 117.12 110.86 3d4u n MET 125 Ca 0.06 -2.19 -0.41 0.00 -1.81 0.00 0.00 57.70 53.35 3d4u n MET 125 Cb 0.54 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.55 3d4u n MET 125 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 3d4u s TRP 126 N -1.24 2.91 -0.06 2.03 -0.11 -0.65 -4.85 118.94 116.96 3d4u s TRP 126 Ca 0.41 1.36 -0.01 0.00 1.22 0.00 0.00 56.10 59.08 3d4u s TRP 126 Cb 0.22 -3.76 -0.04 0.00 -1.50 0.00 0.00 33.47 28.39 3d4u s TRP 126 CO 0.29 -2.15 -0.06 -2.13 -4.62 0.00 0.00 176.95 168.27 3d4u n ARG 127 N 0.62 0.15 -1.72 5.86 0.63 -1.26 -1.74 116.66 119.20 3d4u n ARG 127 Ca 0.01 0.04 -0.27 0.00 -0.92 0.00 0.00 57.85 56.71 3d4u n ARG 127 Cb 0.41 -1.02 0.19 0.00 0.45 0.00 0.00 32.46 32.49 3d4u n ARG 127 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3d4u n LYS 128 N -2.85 -1.24 0.00 -0.14 5.02 -1.26 -2.31 118.16 115.37 3d4u n LYS 128 Ca -0.12 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 3d4u n LYS 128 Cb 0.61 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3d4u n LYS 128 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3d4u n ASN 129 N -3.82 -0.02 -0.96 4.39 6.94 -0.51 -4.47 115.26 116.81 3d4u n ASN 129 Ca 0.15 -0.12 0.05 0.00 -0.02 0.00 0.00 54.58 54.65 3d4u n ASN 129 Cb 0.53 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.08 3d4u n ASN 129 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3d4u n ARG 130 N -0.14 0.90 -2.46 -3.83 5.12 -1.26 -4.23 116.66 110.76 3d4u n ARG 130 Ca 0.00 -2.72 -0.33 0.00 -1.93 0.00 0.00 57.85 52.87 3d4u n ARG 130 Cb 0.00 -0.93 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 3d4u n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3d4u s SER 131 N -2.69 6.48 -0.11 0.55 1.04 -1.26 -4.68 113.70 113.03 3d4u s SER 131 Ca 0.36 1.72 0.01 0.00 0.48 0.00 0.00 55.95 58.51 3d4u s SER 131 Cb 0.37 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.94 3d4u s SER 131 CO -0.11 -0.68 -0.13 -0.76 0.98 0.00 0.00 173.24 172.53 3d4u s LEU 132 N -3.83 2.72 -0.05 2.42 1.02 -1.26 -0.76 118.68 118.94 3d4u s LEU 132 Ca 0.62 -0.29 0.05 0.00 0.02 0.00 0.00 54.13 54.54 3d4u s LEU 132 Cb -0.12 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.47 3d4u s LEU 132 CO 0.26 0.22 -0.20 -1.00 0.02 0.00 0.00 176.35 175.64 3d4u s HIS 133 N 0.04 2.53 0.30 0.29 3.76 -1.26 -5.03 115.29 115.91 3d4u s HIS 133 Ca -0.05 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 3d4u s HIS 133 Cb -0.14 -1.59 0.57 0.00 1.11 0.00 0.00 32.58 32.53 3d4u s HIS 133 CO 0.04 0.00 1.87 1.49 -0.85 0.00 0.00 174.74 177.29 3d4u h GLU 134 N 5.62 0.95 -0.06 1.40 4.81 -2.00 -0.03 114.58 125.28 3d4u h GLU 134 Ca -0.41 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3d4u h GLU 134 Cb 1.15 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3d4u h GLU 134 CO 0.49 0.63 0.00 1.63 -0.73 0.00 0.00 179.01 181.03 3d4u n LYS 135 N -4.56 1.31 -3.94 1.92 5.02 -1.26 -4.89 118.16 111.76 3d4u n LYS 135 Ca 0.17 -0.46 -0.36 0.00 -2.02 0.00 0.00 58.31 55.64 3d4u n LYS 135 Cb 0.31 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 3d4u n LYS 135 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3d4u s ASN 136 N -1.65 6.08 0.20 4.39 0.02 -0.03 -5.00 114.94 118.95 3d4u s ASN 136 Ca 0.32 0.32 0.09 0.00 -1.02 0.00 0.00 52.86 52.57 3d4u s ASN 136 Cb 0.16 -1.97 0.09 0.00 0.02 0.00 0.00 41.25 39.54 3d4u s ASN 136 CO 0.26 0.32 1.45 0.00 0.02 0.00 0.00 177.10 179.15 3d4u h ALA 137 N 5.60 0.67 -2.13 0.60 0.00 -1.90 -3.45 119.26 118.65 3d4u h ALA 137 Ca -0.49 -0.72 -0.59 0.00 0.00 0.00 0.00 54.91 53.11 3d4u h ALA 137 Cb 1.20 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 3d4u h ALA 137 CO 0.63 0.99 -0.69 0.00 0.00 0.00 0.00 179.25 180.18 3d4u s VAL 139 N -2.47 4.94 0.00 0.00 1.01 -1.26 -4.76 120.40 117.86 3d4u s VAL 139 Ca 0.32 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3d4u s VAL 139 Cb -0.04 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3d4u s VAL 139 CO 0.17 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3d4u n GLY 140 N 2.16 0.57 3.30 4.51 0.00 0.06 -4.91 105.19 110.87 3d4u n GLY 140 Ca -0.10 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 3d4u n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4u s THR 141 N -2.67 1.91 -0.48 2.61 2.01 -1.26 -4.86 115.64 112.90 3d4u s THR 141 Ca 0.00 -1.31 -0.28 0.00 0.31 0.00 0.00 61.69 60.41 3d4u s THR 141 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.87 3d4u s THR 141 CO 0.00 0.27 1.54 -0.62 -0.69 0.00 0.00 174.62 175.12 3d4u s ASP 142 N -1.24 6.04 0.55 3.53 -1.08 -0.28 -1.42 116.67 122.76 3d4u s ASP 142 Ca 0.10 0.64 0.22 0.00 -0.52 0.00 0.00 52.55 52.99 3d4u s ASP 142 Cb -0.09 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.32 3d4u s ASP 142 CO 0.02 -1.71 2.16 -0.07 0.52 0.00 0.00 175.17 176.10 3d4u h LEU 143 N 13.33 0.00 -1.91 -1.34 3.38 -1.85 0.02 115.31 126.94 3d4u h LEU 143 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3d4u h LEU 143 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3d4u h LEU 143 CO 1.13 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 176.46 3d4u n ASN 144 N -4.24 2.78 0.00 -0.43 5.15 -1.26 -2.45 115.26 114.81 3d4u n ASN 144 Ca -0.01 -2.31 0.00 0.00 -0.60 0.00 0.00 54.58 51.66 3d4u n ASN 144 Cb 0.16 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 3d4u n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3d4u n ARG 145 N 0.33 1.35 0.00 1.20 5.12 -0.02 -3.27 116.66 121.38 3d4u n ARG 145 Ca 0.12 -1.02 0.09 0.00 -1.93 0.00 0.00 57.85 55.11 3d4u n ARG 145 Cb 0.57 -0.93 0.03 0.00 -1.16 0.00 0.00 32.46 30.98 3d4u n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3d4u n ASN 146 N -0.28 2.09 -4.86 0.55 4.05 -0.89 -4.48 115.26 111.44 3d4u n ASN 146 Ca 0.00 -1.55 -0.31 0.00 0.45 0.00 0.00 54.58 53.17 3d4u n ASN 146 Cb 0.20 0.28 0.01 0.00 1.23 0.00 0.00 39.78 41.50 3d4u n ASN 146 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3d4u s PHE 147 N -1.88 3.52 -0.53 1.20 0.40 0.23 -0.40 117.98 120.52 3d4u s PHE 147 Ca 0.18 1.35 -0.05 0.00 -0.60 0.00 0.00 56.93 57.81 3d4u s PHE 147 Cb 0.15 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.90 3d4u s PHE 147 CO 0.37 -0.70 2.93 0.00 0.70 0.00 0.00 175.22 178.52 3d4u n ALA 148 N -2.54 6.55 -1.57 5.36 0.00 -1.26 -4.32 120.51 122.72 3d4u n ALA 148 Ca 0.06 -2.94 -0.30 0.00 0.00 0.00 0.00 53.44 50.27 3d4u n ALA 148 Cb 0.54 -2.34 0.19 0.00 0.00 0.00 0.00 19.45 17.84 3d4u n ALA 148 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3d4u s SER 149 N 0.83 2.48 0.76 0.00 1.04 -1.26 -4.91 113.70 112.64 3d4u s SER 149 Ca 0.61 0.53 -0.14 0.00 0.48 0.00 0.00 55.95 57.43 3d4u s SER 149 Cb 0.33 -0.75 0.06 0.00 0.10 0.00 0.00 66.02 65.76 3d4u s SER 149 CO -0.15 -3.15 1.22 -0.54 0.98 0.00 0.00 173.24 171.60 3d4u s LYS 150 N -5.61 1.90 -1.55 4.02 1.02 -1.26 -3.58 119.74 114.67 3d4u s LYS 150 Ca 0.71 1.81 -0.02 0.00 0.02 0.00 0.00 55.97 58.48 3d4u s LYS 150 Cb -0.08 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 3d4u s LYS 150 CO 0.54 -2.03 0.29 0.72 -0.92 0.00 0.00 175.35 173.95 3d4u n HIS 1501N -2.94 -1.39 -1.67 3.18 8.25 -1.26 -4.28 115.22 115.12 3d4u n HIS 1501Ca 0.14 0.25 -0.45 0.00 -0.26 0.00 0.00 57.72 57.39 3d4u n HIS 1501Cb 0.50 -4.03 -0.03 0.00 1.12 0.00 0.00 29.99 27.55 3d4u n HIS 1501CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3d4u n TRP 151 N -4.23 2.19 -1.81 4.41 -0.00 -1.23 -0.66 117.44 116.10 3d4u n TRP 151 Ca -0.17 0.39 -0.20 0.00 -0.00 0.00 0.00 57.50 57.52 3d4u n TRP 151 Cb 0.64 -2.48 -0.07 0.00 -0.00 0.00 0.00 31.31 29.40 3d4u n TRP 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3d4u n GLY 153 N -0.63 0.68 3.69 0.00 0.00 0.16 -4.76 105.19 104.33 3d4u n GLY 153 Ca -0.21 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3d4u n GLY 153 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d4u s GLU 154 N 1.07 4.15 0.00 1.61 2.12 -1.26 -1.64 118.70 124.74 3d4u s GLU 154 Ca 0.00 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.89 3d4u s GLU 154 Cb 0.00 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3d4u s GLU 154 CO 0.00 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.31 3d4u n GLY 155 N 4.19 0.64 3.05 -1.50 0.00 -1.26 -4.29 105.19 106.01 3d4u n GLY 155 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3d4u n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d4u s ALA 156 N -2.00 0.22 0.01 4.61 0.00 -0.65 -4.36 121.76 119.60 3d4u s ALA 156 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.21 3d4u s ALA 156 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3d4u s ALA 156 CO 0.00 -0.27 -0.16 0.45 0.00 0.00 0.00 175.76 175.78 3d4u s SER 157 N -2.12 3.94 0.00 0.00 0.15 -0.60 -4.65 113.70 110.42 3d4u s SER 157 Ca -0.05 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 56.52 3d4u s SER 157 Cb -0.02 -0.72 0.80 0.00 -1.71 0.00 0.00 66.02 64.36 3d4u s SER 157 CO -0.05 0.29 1.60 -1.54 1.20 0.00 0.00 173.24 174.73 3d4u n SER 158 N 1.78 1.92 -4.65 5.45 3.41 -1.26 -1.34 113.62 118.93 3d4u n SER 158 Ca -0.16 -1.67 -0.40 0.00 -0.26 0.00 0.00 58.87 56.38 3d4u n SER 158 Cb 0.52 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 3d4u n SER 158 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d4u s SER 159 N -1.86 6.64 0.63 4.04 0.15 -1.26 -4.95 113.70 117.09 3d4u s SER 159 Ca 0.35 0.78 0.39 0.00 0.70 0.00 0.00 55.95 58.17 3d4u s SER 159 Cb 0.20 -2.34 2.11 0.00 -1.71 0.00 0.00 66.02 64.28 3d4u s SER 159 CO 0.31 -0.30 2.28 0.77 1.20 0.00 0.00 173.24 177.49 3d4u h SER 160 N 7.64 0.00 0.31 5.45 4.64 -1.92 -1.37 113.55 128.30 3d4u h SER 160 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3d4u h SER 160 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3d4u h SER 160 CO 0.77 0.01 -0.07 0.00 -0.87 0.00 0.00 176.83 176.68 3d4u s SER 162 N -2.38 7.05 0.22 0.00 0.15 -0.52 -4.96 113.70 113.26 3d4u s SER 162 Ca 0.32 1.62 0.22 0.00 0.70 0.00 0.00 55.95 58.81 3d4u s SER 162 Cb 0.20 -2.50 0.92 0.00 -1.71 0.00 0.00 66.02 62.93 3d4u s SER 162 CO 0.45 -0.19 1.66 -0.62 1.20 0.00 0.00 173.24 175.74 3d4u n GLU 163 N -0.04 0.16 -0.69 5.44 1.02 -1.26 -2.45 120.64 122.82 3d4u n GLU 163 Ca 0.04 0.41 0.01 0.00 -0.02 0.00 0.00 57.16 57.59 3d4u n GLU 163 Cb 0.52 -1.81 0.20 0.00 -0.02 0.00 0.00 31.44 30.33 3d4u n GLU 163 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3d4u n ILE 164 N -2.11 2.38 -1.69 -3.67 -5.35 -1.26 -4.53 119.36 103.13 3d4u n ILE 164 Ca 0.02 -2.94 -0.45 0.00 -0.27 0.00 0.00 62.75 59.12 3d4u n ILE 164 Cb 0.21 -0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 37.79 3d4u n ILE 164 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d4u n TYR 165 N -1.12 2.46 1.11 4.28 9.36 -1.03 -1.55 117.16 130.66 3d4u n TYR 165 Ca 0.26 0.13 0.14 0.00 3.32 0.00 0.00 57.90 61.75 3d4u n TYR 165 Cb 0.87 -2.61 0.64 0.00 -0.63 0.00 0.00 39.34 37.61 3d4u n TYR 165 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3d4u n GLY 167 N 1.44 -0.37 0.17 0.00 0.00 -1.26 -4.07 105.19 101.09 3d4u n GLY 167 Ca 0.09 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.33 3d4u n GLY 167 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3d4u h THR 168 N 0.00 0.61 -1.93 2.61 1.35 -1.96 -3.48 112.91 110.12 3d4u h THR 168 Ca 0.00 -1.83 0.21 0.00 -0.55 0.00 0.00 66.41 64.25 3d4u h THR 168 Cb 0.00 2.27 -0.13 0.00 -1.73 0.00 0.00 68.15 68.56 3d4u h THR 168 CO 0.00 0.34 0.64 -0.72 -0.25 0.00 0.00 175.52 175.53 3d4u s TYR 169 N -3.06 -0.17 0.16 4.73 -0.85 -1.26 -5.06 117.35 111.85 3d4u s TYR 169 Ca 0.05 0.01 -0.32 0.00 -0.52 0.00 0.00 57.07 56.28 3d4u s TYR 169 Cb 0.07 0.56 -0.12 0.00 0.38 0.00 0.00 41.96 42.85 3d4u s TYR 169 CO 0.72 -0.49 1.74 -2.30 -1.52 0.00 0.00 175.55 173.70 3d4u n PRO 170 N -0.34 2.66 -1.95 -3.49 -0.02 -1.26 -1.17 135.00 129.42 3d4u n PRO 170 Ca -0.06 0.96 -0.16 0.00 -2.02 0.00 0.00 63.50 62.22 3d4u n PRO 170 Cb 0.61 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 3d4u n PRO 170 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d4u n GLU 171 N 4.49 -1.22 0.27 -0.52 1.02 0.46 -4.90 120.64 120.24 3d4u n GLU 171 Ca 0.17 0.91 0.13 0.00 -0.02 0.00 0.00 57.16 58.35 3d4u n GLU 171 Cb 0.34 -5.22 0.77 0.00 -0.02 0.00 0.00 31.44 27.32 3d4u n GLU 171 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3d4u h SER 172 N 0.00 0.00 -3.30 1.62 4.64 -1.38 -3.39 113.55 111.74 3d4u h SER 172 Ca -0.36 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.39 3d4u h SER 172 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3d4u h SER 172 CO 0.47 0.09 -0.01 -1.61 -0.87 0.00 0.00 176.83 174.90 3d4u s GLU 173 N -4.27 4.30 0.46 4.77 0.41 -1.26 -4.96 118.70 118.15 3d4u s GLU 173 Ca -0.03 0.74 0.21 0.00 -0.41 0.00 0.00 54.97 55.48 3d4u s GLU 173 Cb 0.13 -3.33 1.12 0.00 -1.78 0.00 0.00 34.13 30.28 3d4u s GLU 173 CO 0.57 0.41 1.96 -1.00 -0.49 0.00 0.00 175.26 176.71 3d4u h PRO 174 N 5.46 0.00 -0.28 0.39 0.13 -1.86 -0.39 132.00 135.46 3d4u h PRO 174 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 3d4u h PRO 174 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3d4u h PRO 174 CO 0.69 0.21 -0.45 0.93 -0.23 0.00 0.00 178.00 179.15 3d4u h GLU 175 N 0.00 0.71 -0.14 0.86 3.07 -1.91 -1.35 114.58 115.83 3d4u h GLU 175 Ca -0.00 -0.40 -0.11 0.00 -0.50 0.00 0.00 59.36 58.35 3d4u h GLU 175 Cb 0.49 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3d4u h GLU 175 CO 0.03 1.02 -0.36 0.28 -1.40 0.00 0.00 179.01 178.57 3d4u h VAL 176 N 0.57 1.36 -0.68 3.13 2.07 -1.67 -2.52 116.25 118.51 3d4u h VAL 176 Ca 0.04 -1.65 0.09 0.00 0.82 0.00 0.00 66.70 66.00 3d4u h VAL 176 Cb 1.00 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.76 3d4u h VAL 176 CO 0.09 0.49 0.33 0.50 0.02 0.00 0.00 177.57 179.01 3d4u h LYS 177 N 0.09 0.55 -0.13 1.57 1.63 -1.08 0.18 116.57 119.40 3d4u h LYS 177 Ca -0.01 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3d4u h LYS 177 Cb 0.98 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 3d4u h LYS 177 CO 0.08 0.37 0.08 0.00 -3.45 0.00 0.00 179.45 176.52 3d4u h ALA 178 N 1.42 0.16 -0.08 5.00 0.00 -1.17 0.11 119.26 124.71 3d4u h ALA 178 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3d4u h ALA 178 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3d4u h ALA 178 CO -0.27 -0.33 0.02 0.28 0.00 0.00 0.00 179.25 178.95 3d4u h VAL 179 N 0.15 1.19 -0.68 0.00 2.07 -1.00 -1.91 116.25 116.07 3d4u h VAL 179 Ca 0.05 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3d4u h VAL 179 Cb 0.02 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3d4u h VAL 179 CO -0.01 0.16 0.37 0.00 0.02 0.00 0.00 177.57 178.12 3d4u h ALA 180 N 0.81 0.87 -0.71 1.67 0.00 -0.54 -0.61 119.26 120.75 3d4u h ALA 180 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3d4u h ALA 180 Cb 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3d4u h ALA 180 CO 0.00 0.39 0.23 -0.44 0.00 0.00 0.00 179.25 179.43 3d4u h ASP 181 N 0.93 1.02 -0.41 0.00 3.32 -0.74 -0.40 116.42 120.15 3d4u h ASP 181 Ca 0.24 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3d4u h ASP 181 Cb 0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3d4u h ASP 181 CO -0.04 0.95 0.04 0.15 -1.72 0.00 0.00 179.24 178.62 3d4u h PHE 182 N 1.03 0.74 -0.54 4.55 3.57 -0.91 -1.00 116.94 124.39 3d4u h PHE 182 Ca 0.23 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3d4u h PHE 182 Cb 0.29 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3d4u h PHE 182 CO 0.02 0.74 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.70 3d4u h LEU 183 N 0.54 0.97 -0.28 0.59 3.38 -0.98 -1.67 115.31 117.85 3d4u h LEU 183 Ca 0.12 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3d4u h LEU 183 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3d4u h LEU 183 CO 0.01 1.06 0.16 0.03 0.09 0.00 0.00 178.44 179.80 3d4u h ARG 184 N 0.89 0.33 -0.24 1.13 3.08 -1.01 -2.04 114.38 116.52 3d4u h ARG 184 Ca 0.15 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3d4u h ARG 184 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3d4u h ARG 184 CO 0.04 0.22 0.12 -0.09 -1.07 0.00 0.00 179.97 179.18 3d4u h ARG 185 N 0.34 0.32 -0.30 0.04 2.43 -0.86 -2.96 114.38 113.39 3d4u h ARG 185 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3d4u h ARG 185 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3d4u h ARG 185 CO -0.05 0.25 0.00 0.09 -1.51 0.00 0.00 179.97 178.74 3d4u n ASN 186 N -4.46 4.03 0.24 -3.80 3.02 -0.66 -4.71 115.26 108.93 3d4u n ASN 186 Ca 0.00 -2.95 0.07 0.00 -0.03 0.00 0.00 54.58 51.67 3d4u n ASN 186 Cb 0.10 -0.54 0.59 0.00 -0.61 0.00 0.00 39.78 39.32 3d4u n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d4u h ILE 187 N 2.06 1.03 0.00 2.41 6.09 -1.19 -2.41 117.51 125.50 3d4u h ILE 187 Ca 0.00 -0.30 -0.06 0.00 -1.37 0.00 0.00 64.86 63.13 3d4u h ILE 187 Cb 1.46 1.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.90 3d4u h ILE 187 CO 0.24 0.08 -0.30 0.11 -3.07 0.00 0.00 178.15 175.21 3d4u h LYS 188 N 0.00 0.00 0.00 2.19 1.57 -1.86 -3.23 116.57 115.24 3d4u h LYS 188 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d4u h LYS 188 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3d4u h LYS 188 CO 0.01 0.30 -1.54 0.72 -0.57 0.00 0.00 179.45 178.37 3d4u n HIS 1889N -3.91 0.00 -3.01 -1.35 8.25 -0.94 -4.92 115.22 109.34 3d4u n HIS 1889Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 3d4u n HIS 1889Cb 0.37 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 3d4u n HIS 1889CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3d4u s ILE 189 N -2.96 4.88 -0.72 1.59 1.01 -1.01 -0.65 121.20 123.33 3d4u s ILE 189 Ca -0.04 1.16 0.12 0.00 0.00 0.00 0.00 60.65 61.89 3d4u s ILE 189 Cb 0.10 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 3d4u s ILE 189 CO 0.64 -0.13 0.56 0.29 0.00 0.00 0.00 174.94 176.30 3d4u n LYS 190 N 5.99 2.76 -3.80 2.79 4.76 0.54 -4.86 118.16 126.33 3d4u n LYS 190 Ca 0.02 -0.19 -0.11 0.00 -2.87 0.00 0.00 58.31 55.16 3d4u n LYS 190 Cb 0.48 -1.09 -0.08 0.00 -1.84 0.00 0.00 35.03 32.51 3d4u n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d4u s ALA 191 N -1.97 -0.51 -0.03 7.82 0.00 -1.20 -3.82 121.76 122.04 3d4u s ALA 191 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 3d4u s ALA 191 Cb 0.09 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.54 3d4u s ALA 191 CO 0.44 -0.38 0.06 -0.47 0.00 0.00 0.00 175.76 175.41 3d4u s TYR 192 N -2.54 -0.02 -0.04 0.00 5.04 0.25 -1.34 117.35 118.71 3d4u s TYR 192 Ca -0.05 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 3d4u s TYR 192 Cb -0.01 -0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.09 3d4u s TYR 192 CO -0.03 -0.12 -0.08 0.42 -1.34 0.00 0.00 175.55 174.40 3d4u s ILE 193 N 1.22 0.75 -0.22 3.14 1.01 -0.11 -0.93 121.20 126.07 3d4u s ILE 193 Ca -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 3d4u s ILE 193 Cb -0.13 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 3d4u s ILE 193 CO -0.04 0.26 -0.05 -0.55 0.00 0.00 0.00 174.94 174.56 3d4u s SER 194 N 0.62 4.22 -0.17 3.58 0.15 -0.49 -1.65 113.70 119.95 3d4u s SER 194 Ca -0.10 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 55.95 3d4u s SER 194 Cb -0.13 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 3d4u s SER 194 CO 0.01 -0.01 0.58 -0.04 1.20 0.00 0.00 173.24 174.97 3d4u s MET 195 N 1.43 4.25 0.41 5.44 1.00 -0.01 -1.13 119.30 130.69 3d4u s MET 195 Ca 0.05 0.55 0.03 0.00 0.00 0.00 0.00 55.69 56.33 3d4u s MET 195 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 34.83 31.11 3d4u s MET 195 CO -0.04 -0.12 0.07 -1.01 0.00 0.00 0.00 175.02 173.92 3d4u s HIS 196 N 1.51 1.92 0.11 -0.03 3.76 0.10 -4.21 115.29 118.45 3d4u s HIS 196 Ca 0.28 -1.06 -0.04 0.00 -0.15 0.00 0.00 55.06 54.08 3d4u s HIS 196 Cb -0.16 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 3d4u s HIS 196 CO 0.11 -0.02 0.10 -1.54 -0.85 0.00 0.00 174.74 172.54 3d4u s SER 197 N -3.65 0.27 0.39 1.40 1.04 -1.26 -0.67 113.70 111.21 3d4u s SER 197 Ca 0.23 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3d4u s SER 197 Cb 0.05 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 3d4u s SER 197 CO 0.12 -0.73 0.00 0.00 0.98 0.00 0.00 173.24 173.62 3d4u n TYR 198 N -0.06 0.89 0.00 5.02 4.11 -1.26 -4.91 117.16 120.95 3d4u n TYR 198 Ca -0.10 -1.91 0.00 0.00 -0.00 0.00 0.00 57.90 55.89 3d4u n TYR 198 Cb 0.63 -0.25 0.00 0.00 -0.00 0.00 0.00 39.34 39.71 3d4u n TYR 198 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3d4u n SER 199 N -1.24 0.00 -3.05 9.48 3.41 -0.10 -4.79 113.62 117.33 3d4u n SER 199 Ca -0.16 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3d4u n SER 199 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3d4u n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d4u n GLN 200 N 0.00 -1.34 -3.75 4.33 6.02 -0.94 -4.81 117.38 116.89 3d4u n GLN 200 Ca 0.00 1.51 -0.13 0.00 -0.01 0.00 0.00 57.00 58.37 3d4u n GLN 200 Cb 0.00 -5.76 -0.08 0.00 1.02 0.00 0.00 30.24 25.41 3d4u n GLN 200 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3d4u s LYS 201 N -2.99 0.71 -0.20 -1.09 1.02 -0.58 -1.45 119.74 115.16 3d4u s LYS 201 Ca 0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 3d4u s LYS 201 Cb -0.00 0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.63 3d4u s LYS 201 CO 0.75 -0.20 -0.13 0.42 -0.92 0.00 0.00 175.35 175.27 3d4u s ILE 202 N -1.61 2.66 0.25 2.17 1.01 -0.41 0.29 121.20 125.56 3d4u s ILE 202 Ca -0.12 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3d4u s ILE 202 Cb -0.04 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3d4u s ILE 202 CO 0.03 0.47 -0.18 0.68 0.00 0.00 0.00 174.94 175.94 3d4u s VAL 203 N 1.37 2.19 0.21 2.92 -7.23 0.33 -2.70 120.40 117.49 3d4u s VAL 203 Ca 0.05 -2.31 -0.05 0.00 -1.81 0.00 0.00 61.98 57.86 3d4u s VAL 203 Cb -0.14 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 3d4u s VAL 203 CO -0.08 -0.46 0.24 0.72 -0.31 0.00 0.00 175.10 175.21 3d4u s PHE 204 N -2.62 0.86 0.65 2.82 -0.71 -0.97 -0.95 117.98 117.07 3d4u s PHE 204 Ca 0.26 -1.14 -0.18 0.00 -1.04 0.00 0.00 56.93 54.84 3d4u s PHE 204 Cb -0.04 -0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.46 3d4u s PHE 204 CO 0.12 -0.75 1.24 -2.30 -1.34 0.00 0.00 175.22 172.19 3d4u n PRO 205 N -0.29 1.03 -4.14 1.99 -0.02 -1.26 -0.36 135.00 131.94 3d4u n PRO 205 Ca 0.00 0.41 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 3d4u n PRO 205 Cb 0.64 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 3d4u n PRO 205 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3d4u s TYR 206 N -1.44 2.98 -0.04 6.00 2.02 -1.26 -4.23 117.35 121.38 3d4u s TYR 206 Ca 0.82 -0.06 0.21 0.00 -0.37 0.00 0.00 57.07 57.66 3d4u s TYR 206 Cb -0.38 -1.47 -0.32 0.00 -0.40 0.00 0.00 41.96 39.39 3d4u s TYR 206 CO 0.42 0.51 0.44 0.43 -1.57 0.00 0.00 175.55 175.77 3d4u n SER 207 N 0.06 0.18 0.13 2.29 7.64 -1.26 -1.17 113.62 121.51 3d4u n SER 207 Ca -0.10 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.91 3d4u n SER 207 Cb 0.54 1.90 0.40 0.00 -1.01 0.00 0.00 64.21 66.03 3d4u n SER 207 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 3d4u h TYR 208 N 0.00 0.00 -3.58 1.43 -0.00 -1.91 -0.38 116.97 112.53 3d4u h TYR 208 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.64 3d4u h TYR 208 Cb 1.05 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 37.67 3d4u h TYR 208 CO 0.00 0.00 -0.13 0.45 -0.00 0.00 0.00 178.16 178.48 3d4u s SER 209 N -4.78 -0.11 0.00 0.10 0.15 -1.26 -4.71 113.70 103.09 3d4u s SER 209 Ca 0.09 -0.71 0.23 0.00 0.70 0.00 0.00 55.95 56.26 3d4u s SER 209 Cb 0.11 0.53 0.89 0.00 -1.71 0.00 0.00 66.02 65.83 3d4u s SER 209 CO 0.57 -1.01 1.63 0.54 1.20 0.00 0.00 173.24 176.18 3d4u n ARG 210 N -0.30 1.66 -1.77 5.44 1.74 -1.26 -4.66 116.66 117.51 3d4u n ARG 210 Ca -0.08 -0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 55.61 3d4u n ARG 210 Cb 0.62 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3d4u n ARG 210 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3d4u n SER 211 N 0.20 3.67 -4.74 0.55 7.64 -1.26 -4.97 113.62 114.70 3d4u n SER 211 Ca 0.17 1.21 -0.41 0.00 1.01 0.00 0.00 58.87 60.86 3d4u n SER 211 Cb 0.32 -1.61 -0.04 0.00 -1.01 0.00 0.00 64.21 61.87 3d4u n SER 211 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3d4u s ARG 212 N -2.13 4.62 0.68 1.43 0.52 -1.26 -4.39 118.95 118.42 3d4u s ARG 212 Ca 0.54 1.73 -0.14 0.00 -0.52 0.00 0.00 55.73 57.34 3d4u s ARG 212 Cb -0.48 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 31.75 3d4u s ARG 212 CO 0.63 0.13 1.12 -1.54 0.02 0.00 0.00 175.30 175.66 3d4u s SER 213 N -0.35 4.91 0.34 0.23 1.04 -1.26 -4.92 113.70 113.69 3d4u s SER 213 Ca 0.48 2.01 0.04 0.00 0.48 0.00 0.00 55.95 58.96 3d4u s SER 213 Cb -0.30 -2.55 0.67 0.00 0.10 0.00 0.00 66.02 63.94 3d4u s SER 213 CO 0.36 -1.76 1.95 0.50 0.98 0.00 0.00 173.24 175.26 3d4u h LYS 214 N -0.18 0.83 -0.72 4.02 3.64 -1.96 -2.05 116.57 120.15 3d4u h LYS 214 Ca -0.46 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 3d4u h LYS 214 Cb 1.25 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 3d4u h LYS 214 CO 0.53 0.55 0.18 -0.25 -2.27 0.00 0.00 179.45 178.18 3d4u n ASP 215 N -4.48 4.95 -0.22 4.20 8.00 -1.26 -4.68 116.55 123.07 3d4u n ASP 215 Ca 0.11 -3.05 0.03 0.00 0.71 0.00 0.00 54.79 52.59 3d4u n ASP 215 Cb 0.21 -0.72 0.14 0.00 -0.02 0.00 0.00 41.12 40.73 3d4u n ASP 215 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3d4u h HIS 216 N 2.94 0.16 -0.22 1.24 -0.00 -1.71 0.27 115.15 117.84 3d4u h HIS 216 Ca 0.17 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.58 3d4u h HIS 216 Cb 2.14 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 29.57 3d4u h HIS 216 CO 1.16 -0.09 0.12 1.49 -0.00 0.00 0.00 177.93 180.61 3d4u h GLU 217 N 0.22 0.30 -0.44 5.26 4.81 -1.85 0.03 114.58 122.90 3d4u h GLU 217 Ca 0.36 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3d4u h GLU 217 Cb 0.58 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3d4u h GLU 217 CO -0.49 0.27 -0.08 1.49 -0.73 0.00 0.00 179.01 179.47 3d4u h GLU 218 N 0.25 0.84 -0.68 1.92 4.81 -1.77 -1.40 114.58 118.55 3d4u h GLU 218 Ca 0.08 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3d4u h GLU 218 Cb 0.05 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3d4u h GLU 218 CO -0.01 0.94 0.22 -0.07 -0.73 0.00 0.00 179.01 179.36 3d4u h LEU 219 N 0.67 0.98 -0.73 1.64 3.38 -0.85 0.55 115.31 120.95 3d4u h LEU 219 Ca 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3d4u h LEU 219 Cb 0.61 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3d4u h LEU 219 CO 0.04 0.92 0.40 -1.28 0.09 0.00 0.00 178.44 178.61 3d4u h SER 220 N 0.98 0.91 -0.09 -0.43 0.87 -0.91 -0.72 113.55 114.16 3d4u h SER 220 Ca 0.22 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3d4u h SER 220 Cb 0.28 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3d4u h SER 220 CO -0.01 0.75 0.06 0.25 -0.53 0.00 0.00 176.83 177.35 3d4u h LEU 221 N 1.01 0.11 -0.60 2.23 5.85 -0.76 0.10 115.31 123.24 3d4u h LEU 221 Ca 0.26 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3d4u h LEU 221 Cb 0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3d4u h LEU 221 CO -0.04 0.12 0.39 0.58 -0.34 0.00 0.00 178.44 179.16 3d4u h VAL 222 N 0.09 1.13 -0.77 1.05 2.07 -0.70 0.47 116.25 119.59 3d4u h VAL 222 Ca 0.03 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3d4u h VAL 222 Cb 0.03 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 3d4u h VAL 222 CO -0.01 0.15 0.50 0.00 0.02 0.00 0.00 177.57 178.23 3d4u h ALA 223 N 1.23 1.00 -0.51 1.67 0.00 -0.81 -0.84 119.26 121.00 3d4u h ALA 223 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3d4u h ALA 223 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3d4u h ALA 223 CO -0.06 0.34 0.23 0.00 0.00 0.00 0.00 179.25 179.76 3d4u h ARG 224 N 1.00 0.74 -0.76 0.00 3.08 -0.47 -0.53 114.38 117.44 3d4u h ARG 224 Ca 0.30 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.27 3d4u h ARG 224 Cb -0.05 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 3d4u h ARG 224 CO -0.09 0.63 0.47 0.93 -1.07 0.00 0.00 179.97 180.85 3d4u h GLU 225 N 0.67 0.88 -0.31 0.04 5.08 -0.48 -0.54 114.58 119.91 3d4u h GLU 225 Ca 0.17 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3d4u h GLU 225 Cb 0.15 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3d4u h GLU 225 CO -0.02 0.58 -0.10 0.00 -1.00 0.00 0.00 179.01 178.48 3d4u h ALA 226 N 1.34 0.43 -0.62 3.43 0.00 -0.84 -1.37 119.26 121.64 3d4u h ALA 226 Ca 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3d4u h ALA 226 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3d4u h ALA 226 CO -0.13 0.28 0.33 0.28 0.00 0.00 0.00 179.25 180.01 3d4u h VAL 227 N 0.39 1.20 -0.72 0.00 2.07 -0.94 -2.20 116.25 116.06 3d4u h VAL 227 Ca 0.08 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3d4u h VAL 227 Cb 0.60 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3d4u h VAL 227 CO 0.03 0.22 0.45 0.15 0.02 0.00 0.00 177.57 178.44 3d4u h PHE 228 N 0.84 0.93 -0.71 1.57 3.04 -0.95 -1.31 116.94 120.34 3d4u h PHE 228 Ca 0.22 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.21 3d4u h PHE 228 Cb 0.06 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.22 3d4u h PHE 228 CO -0.01 0.61 0.47 0.00 -2.02 0.00 0.00 178.31 177.37 3d4u h ALA 229 N 1.24 1.61 0.00 2.41 0.00 -0.83 -2.40 119.26 121.28 3d4u h ALA 229 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3d4u h ALA 229 Cb -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3d4u h ALA 229 CO -0.05 0.31 -0.00 0.52 0.00 0.00 0.00 179.25 180.03 3d4u h MET 230 N 0.84 -0.00 0.00 0.00 2.86 -0.88 -3.14 114.93 114.62 3d4u h MET 230 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3d4u h MET 230 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3d4u h MET 230 CO -0.08 0.59 0.00 0.39 1.06 0.00 0.00 176.91 178.87 3d4u n GLU 231 N -4.80 0.05 -0.02 1.72 1.02 -0.54 -0.86 120.64 117.20 3d4u n GLU 231 Ca -0.09 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 3d4u n GLU 231 Cb 0.30 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 3d4u n GLU 231 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3d4u h ASN 232 N 0.00 0.20 0.82 1.62 2.35 -1.38 -3.29 115.58 115.89 3d4u h ASN 232 Ca 0.00 -0.86 -0.24 0.00 -0.55 0.00 0.00 56.30 54.64 3d4u h ASN 232 Cb 0.03 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3d4u h ASN 232 CO 0.00 1.04 -1.16 0.16 -1.65 0.00 0.00 177.43 175.82 3d4u h ILE 233 N -0.62 1.55 -3.27 2.81 3.07 -1.09 -3.39 117.51 116.57 3d4u h ILE 233 Ca -0.04 -3.22 -0.63 0.00 1.55 0.00 0.00 64.86 62.52 3d4u h ILE 233 Cb 1.10 2.84 -0.40 0.00 -0.27 0.00 0.00 36.82 40.09 3d4u h ILE 233 CO 0.05 0.91 -0.70 -1.00 -1.05 0.00 0.00 178.15 176.36 3d4u s HIS 234 N -2.68 2.66 0.49 0.16 3.76 -0.80 -5.01 115.29 113.87 3d4u s HIS 234 Ca -0.02 -2.67 0.28 0.00 -0.15 0.00 0.00 55.06 52.50 3d4u s HIS 234 Cb 0.09 -2.36 1.58 0.00 1.11 0.00 0.00 32.58 33.00 3d4u s HIS 234 CO 0.84 -0.82 2.14 0.00 -0.85 0.00 0.00 174.74 176.06 3d4u h ARG 235 N 7.04 0.00 -0.01 1.40 2.47 -1.77 -2.88 114.38 120.62 3d4u h ARG 235 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3d4u h ARG 235 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 3d4u h ARG 235 CO 0.55 0.07 -0.42 0.09 0.56 0.00 0.00 179.97 180.82 3d4u n ASN 2356N -3.76 1.65 -4.77 7.04 5.03 -1.26 -4.91 115.26 114.27 3d4u n ASN 2356Ca -0.02 -1.28 -0.39 0.00 0.87 0.00 0.00 54.58 53.76 3d4u n ASN 2356Cb 0.18 0.38 -0.06 0.00 -1.02 0.00 0.00 39.78 39.26 3d4u n ASN 2356CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3d4u s ILE 236 N -2.51 4.77 -0.13 2.41 1.10 -1.09 -5.06 121.20 120.69 3d4u s ILE 236 Ca 0.20 1.36 0.03 0.00 -0.51 0.00 0.00 60.65 61.72 3d4u s ILE 236 Cb 0.18 -3.98 0.01 0.00 0.15 0.00 0.00 42.46 38.82 3d4u s ILE 236 CO 0.57 0.46 -0.22 -0.13 -2.11 0.00 0.00 174.94 173.50 3d4u s ARG 237 N -0.54 3.04 0.05 3.50 1.81 -1.26 -4.73 118.95 120.82 3d4u s ARG 237 Ca 0.32 -0.86 0.05 0.00 -1.72 0.00 0.00 55.73 53.52 3d4u s ARG 237 Cb -0.20 -2.41 -0.04 0.00 -0.45 0.00 0.00 34.95 31.86 3d4u s ARG 237 CO 0.20 0.04 -0.06 0.71 -0.68 0.00 0.00 175.30 175.50 3d4u s TYR 238 N 0.68 2.86 0.51 -0.53 2.02 -1.26 -4.88 117.35 116.75 3d4u s TYR 238 Ca -0.10 -0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 3d4u s TYR 238 Cb -0.16 -1.55 0.04 0.00 -0.40 0.00 0.00 41.96 39.89 3d4u s TYR 238 CO 0.01 0.41 0.32 0.25 -1.57 0.00 0.00 175.55 174.97 3d4u n THR 239 N 1.13 0.00 -3.53 -0.71 -2.24 -0.53 -4.97 114.28 103.43 3d4u n THR 239 Ca -0.14 -2.10 -0.12 0.00 -2.27 0.00 0.00 64.05 59.42 3d4u n THR 239 Cb 0.52 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 3d4u n THR 239 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3d4u s HIS 240 N -2.61 -0.41 -4.15 4.78 -3.43 -1.26 -1.29 115.29 106.92 3d4u s HIS 240 Ca 0.24 0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 3d4u s HIS 240 Cb -0.02 0.40 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 3d4u s HIS 240 CO 0.16 -0.74 0.00 0.41 -2.00 0.00 0.00 174.74 172.57 3d4u n GLY 241 N -0.06 -2.63 3.77 -1.38 0.00 -1.10 -4.96 105.19 98.83 3d4u n GLY 241 Ca -0.17 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3d4u n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d4u s SER 242 N -0.04 4.93 0.15 1.61 1.04 -1.26 -2.28 113.70 117.85 3d4u s SER 242 Ca 0.00 1.92 -0.17 0.00 0.48 0.00 0.00 55.95 58.19 3d4u s SER 242 Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.64 3d4u s SER 242 CO 0.00 -1.75 1.74 1.23 0.98 0.00 0.00 173.24 175.44 3d4u h GLY 243 N -0.38 0.41 2.00 7.32 0.00 -0.64 0.11 103.07 111.90 3d4u h GLY 243 Ca -0.46 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 3d4u h GLY 243 CO 0.53 -0.00 -0.35 1.48 0.00 0.00 0.00 176.54 178.20 3d4u h SER 244 N 0.22 0.00 0.19 0.19 4.64 -1.30 0.69 113.55 118.18 3d4u h SER 244 Ca 0.16 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.13 3d4u h SER 244 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3d4u h SER 244 CO -0.19 0.35 -1.90 -0.33 -0.87 0.00 0.00 176.83 173.89 3d4u h GLU 245 N 0.00 0.26 0.04 4.77 4.39 -1.74 -3.31 114.58 119.00 3d4u h GLU 245 Ca -0.00 -0.45 -0.26 0.00 0.34 0.00 0.00 59.36 58.99 3d4u h GLU 245 Cb 0.74 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 3d4u h GLU 245 CO 0.05 1.16 -1.32 1.03 -1.16 0.00 0.00 179.01 178.77 3d4u h SER 246 N 0.07 0.14 0.00 1.42 0.87 -0.77 -3.44 113.55 111.84 3d4u h SER 246 Ca -0.39 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 3d4u h SER 246 Cb 2.04 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 3d4u h SER 246 CO 0.11 1.15 0.00 0.18 -0.53 0.00 0.00 176.83 177.74 3d4u n LEU 247 N -3.33 0.00 0.00 2.23 4.77 0.16 -5.07 117.00 115.77 3d4u n LEU 247 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3d4u n LEU 247 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 3d4u n LEU 247 CO 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 3d4u n TYR 248 N -0.63 0.00 -1.73 -1.77 4.11 -0.77 -4.97 117.16 111.41 3d4u n TYR 248 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.48 3d4u n TYR 248 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 3d4u n TYR 248 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3d4u n LEU 249 N 0.00 4.04 -2.74 -3.48 4.77 -1.26 -4.12 117.00 114.20 3d4u n LEU 249 Ca 0.00 1.15 -0.04 0.00 -0.03 0.00 0.00 56.01 57.09 3d4u n LEU 249 Cb 0.00 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 39.56 3d4u n LEU 249 CO 0.00 -0.04 0.19 0.00 -1.33 0.00 0.00 177.39 176.21 3d4u n ALA 250 N 1.90 -2.13 -1.57 -1.18 0.00 -0.15 -4.43 120.51 112.94 3d4u n ALA 250 Ca 0.09 -0.90 -0.30 0.00 0.00 0.00 0.00 53.44 52.32 3d4u n ALA 250 Cb 0.35 -1.76 0.08 0.00 0.00 0.00 0.00 19.45 18.13 3d4u n ALA 250 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d4u s PRO 251 N 0.85 2.20 0.00 0.00 0.04 -1.26 -4.06 135.00 132.77 3d4u s PRO 251 Ca 0.29 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3d4u s PRO 251 Cb 0.05 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3d4u s PRO 251 CO -0.08 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.82 3d4u n GLY 252 N -2.14 0.61 3.87 0.56 0.00 -1.26 -4.55 105.19 102.28 3d4u n GLY 252 Ca 0.07 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3d4u n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d4u s GLY 253 N -2.34 2.16 0.20 -0.02 0.00 -1.20 -0.60 107.32 105.52 3d4u s GLY 253 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.43 3d4u s GLY 253 CO 0.00 -0.03 1.73 1.48 0.00 0.00 0.00 173.10 176.28 3d4u h SER 254 N 2.05 1.03 -0.59 1.64 4.64 -1.88 -2.64 113.55 117.79 3d4u h SER 254 Ca -0.47 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 3d4u h SER 254 Cb 1.18 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3d4u h SER 254 CO 0.66 0.96 0.37 -0.78 -0.87 0.00 0.00 176.83 177.18 3d4u h ASP 255 N 1.04 0.69 -0.33 4.97 3.58 -1.94 -0.92 116.42 123.50 3d4u h ASP 255 Ca 0.23 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 3d4u h ASP 255 Cb 0.30 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3d4u h ASP 255 CO -0.01 0.52 -0.33 0.44 -2.88 0.00 0.00 179.24 176.98 3d4u h ASP 256 N 0.80 0.87 -0.40 2.28 3.32 -1.94 -1.63 116.42 119.71 3d4u h ASP 256 Ca 0.21 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3d4u h ASP 256 Cb -0.06 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3d4u h ASP 256 CO -0.04 1.16 0.25 -0.25 -1.72 0.00 0.00 179.24 178.64 3d4u h TRP 257 N 0.60 0.53 -0.01 4.55 7.01 -1.15 -1.71 115.95 125.76 3d4u h TRP 257 Ca 0.05 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.89 3d4u h TRP 257 Cb 0.92 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.79 3d4u h TRP 257 CO 0.07 0.36 -0.74 0.97 -2.79 0.00 0.00 178.44 176.31 3d4u h ILE 258 N 0.54 1.48 -0.26 2.65 6.09 -1.15 -1.81 117.51 125.05 3d4u h ILE 258 Ca 0.15 -2.40 -0.02 0.00 -1.37 0.00 0.00 64.86 61.22 3d4u h ILE 258 Cb -0.02 2.29 -0.01 0.00 0.47 0.00 0.00 36.82 39.55 3d4u h ILE 258 CO -0.03 0.69 0.09 0.22 -3.07 0.00 0.00 178.15 176.06 3d4u h TYR 259 N 0.07 0.40 0.00 2.19 3.20 -1.17 -1.97 116.97 119.69 3d4u h TYR 259 Ca -0.02 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 3d4u h TYR 259 Cb 1.30 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 3d4u h TYR 259 CO 0.01 0.43 -0.21 -0.44 -1.64 0.00 0.00 178.16 176.31 3d4u h ASP 260 N 0.26 0.00 1.05 -2.11 3.32 -1.12 -1.04 116.42 116.78 3d4u h ASP 260 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3d4u h ASP 260 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3d4u h ASP 260 CO -0.01 0.21 0.00 0.25 -1.72 0.00 0.00 179.24 177.97 3d4u h LEU 261 N 0.00 0.00 0.00 1.55 6.46 -1.00 -3.47 115.31 118.86 3d4u h LEU 261 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3d4u h LEU 261 Cb 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 3d4u h LEU 261 CO 0.03 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.46 3d4u n GLY 262 N 0.28 0.46 3.54 3.75 0.00 -0.40 -5.08 105.19 107.74 3d4u n GLY 262 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3d4u n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d4u s ILE 263 N -1.39 4.01 0.12 -0.61 1.01 -0.79 -4.89 121.20 118.65 3d4u s ILE 263 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 3d4u s ILE 263 Cb 0.00 -4.76 -0.02 0.00 0.01 0.00 0.00 42.46 37.69 3d4u s ILE 263 CO 0.00 -1.51 1.58 0.50 0.00 0.00 0.00 174.94 175.50 3d4u h LYS 264 N 9.69 0.69 -4.50 2.79 3.64 -1.84 -3.36 116.57 123.69 3d4u h LYS 264 Ca -0.27 -0.21 -0.75 0.00 -1.27 0.00 0.00 60.65 58.15 3d4u h LYS 264 Cb 1.06 -0.07 -0.20 0.00 -0.41 0.00 0.00 32.23 32.61 3d4u h LYS 264 CO 1.20 0.77 1.09 0.71 -2.27 0.00 0.00 179.45 180.96 3d4u s TYR 265 N -5.04 3.65 -0.18 1.91 2.02 -1.25 -4.94 117.35 113.52 3d4u s TYR 265 Ca -0.13 -2.20 0.01 0.00 -0.37 0.00 0.00 57.07 54.38 3d4u s TYR 265 Cb 0.10 -4.20 0.03 0.00 -0.40 0.00 0.00 41.96 37.49 3d4u s TYR 265 CO 0.79 -1.30 -0.13 -1.12 -1.57 0.00 0.00 175.55 172.22 3d4u s SER 266 N 2.55 3.18 0.10 2.29 0.01 -1.26 -0.58 113.70 119.98 3d4u s SER 266 Ca 0.39 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.95 3d4u s SER 266 Cb -0.05 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 3d4u s SER 266 CO -0.03 -0.09 -0.11 -0.36 0.41 0.00 0.00 173.24 173.06 3d4u s PHE 267 N 1.39 1.14 -0.13 2.43 0.08 -0.11 -4.24 117.98 118.55 3d4u s PHE 267 Ca 0.01 -0.59 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 3d4u s PHE 267 Cb -0.15 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 3d4u s PHE 267 CO -0.10 0.04 -0.08 0.99 -0.10 0.00 0.00 175.22 175.97 3d4u s THR 268 N -2.13 3.56 -0.20 0.64 2.01 -0.12 -1.40 115.64 117.99 3d4u s THR 268 Ca 0.04 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 3d4u s THR 268 Cb -0.05 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 3d4u s THR 268 CO 0.01 0.53 -0.03 0.12 -0.69 0.00 0.00 174.62 174.56 3d4u s PHE 269 N 0.12 2.99 -0.29 4.92 2.19 -0.28 -0.51 117.98 127.11 3d4u s PHE 269 Ca -0.03 -0.62 -0.10 0.00 0.33 0.00 0.00 56.93 56.50 3d4u s PHE 269 Cb -0.14 -2.06 -0.03 0.00 -1.31 0.00 0.00 43.02 39.48 3d4u s PHE 269 CO 0.04 -0.33 0.16 -1.21 1.83 0.00 0.00 175.22 175.71 3d4u s GLU 270 N 1.05 3.65 0.07 10.12 0.41 0.15 0.03 118.70 134.18 3d4u s GLU 270 Ca 0.01 -0.51 -0.01 0.00 -0.41 0.00 0.00 54.97 54.05 3d4u s GLU 270 Cb -0.15 -3.58 0.02 0.00 -1.78 0.00 0.00 34.13 28.64 3d4u s GLU 270 CO 0.01 -0.29 0.10 1.28 -0.49 0.00 0.00 175.26 175.87 3d4u n LEU 271 N 5.02 0.00 -4.75 1.80 4.77 0.15 -1.53 117.00 122.46 3d4u n LEU 271 Ca -0.14 -0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.42 3d4u n LEU 271 Cb 0.51 -0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 3d4u n LEU 271 CO 0.33 -0.57 0.69 -0.13 -1.33 0.00 0.00 177.39 176.38 3d4u s ARG 272 N -3.14 1.88 0.00 3.23 0.52 -1.26 -1.94 118.95 118.23 3d4u s ARG 272 Ca 0.06 1.01 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 3d4u s ARG 272 Cb -0.00 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.60 3d4u s ARG 272 CO 0.04 -1.87 0.00 -0.40 0.02 0.00 0.00 175.30 173.09 3d4u n ASP 273 N -3.65 0.00 -1.07 0.23 5.68 -1.26 -4.63 116.55 111.84 3d4u n ASP 273 Ca 0.08 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.45 3d4u n ASP 273 Cb 0.54 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.78 3d4u n ASP 273 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3d4u n LYS 274 N 0.00 3.14 0.00 0.11 5.02 -1.26 -0.92 118.16 124.25 3d4u n LYS 274 Ca 0.00 -2.54 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 3d4u n LYS 274 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3d4u n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4u n GLY 275 N 0.65 1.10 0.22 0.72 0.00 -1.26 -4.92 105.19 101.70 3d4u n GLY 275 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3d4u n GLY 275 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d4u h LYS 276 N 0.43 -0.41 0.00 1.61 3.64 -2.02 -3.32 116.57 116.51 3d4u h LYS 276 Ca 0.00 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3d4u h LYS 276 Cb 0.00 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3d4u h LYS 276 CO 0.00 -0.27 -1.90 0.66 -2.27 0.00 0.00 179.45 175.66 3d4u n TYR 277 N -5.31 0.00 0.00 1.91 4.02 -1.26 -5.07 117.16 111.45 3d4u n TYR 277 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3d4u n TYR 277 Cb 0.22 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 3d4u n TYR 277 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d4u n GLY 278 N 1.75 3.75 0.24 2.72 0.00 -1.25 -1.57 105.19 110.83 3d4u n GLY 278 Ca -0.13 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3d4u n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3d4u h PHE 279 N 0.00 0.00 -0.77 1.61 0.04 -1.92 -3.31 116.94 112.59 3d4u h PHE 279 Ca 0.00 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.36 3d4u h PHE 279 Cb 0.00 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 37.99 3d4u h PHE 279 CO 0.00 0.18 0.36 1.28 -0.60 0.00 0.00 178.31 179.53 3d4u n LEU 280 N -3.53 6.41 -4.68 1.54 4.77 -0.61 -4.42 117.00 116.49 3d4u n LEU 280 Ca -0.01 -3.71 -0.42 0.00 -0.03 0.00 0.00 56.01 51.84 3d4u n LEU 280 Cb 0.34 -1.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 3d4u n LEU 280 CO 0.32 1.53 1.35 -0.22 -1.33 0.00 0.00 177.39 179.04 3d4u s LEU 281 N -1.92 4.35 0.70 2.23 2.96 -1.25 -4.87 118.68 120.89 3d4u s LEU 281 Ca 0.48 2.39 -0.16 0.00 -0.22 0.00 0.00 54.13 56.62 3d4u s LEU 281 Cb 0.32 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.49 3d4u s LEU 281 CO -0.12 -0.90 1.24 -2.84 -1.32 0.00 0.00 176.35 172.41 3d4u s PRO 282 N 3.24 2.27 0.55 0.98 0.02 -1.26 -4.91 135.00 135.89 3d4u s PRO 282 Ca 0.74 1.89 0.21 0.00 0.02 0.00 0.00 61.00 63.87 3d4u s PRO 282 Cb -0.37 -1.83 1.49 0.00 0.02 0.00 0.00 34.50 33.80 3d4u s PRO 282 CO 0.32 -1.77 2.19 0.93 -0.33 0.00 0.00 177.00 178.34 3d4u h GLU 283 N 0.03 0.00 -0.06 5.54 5.08 -1.92 -1.33 114.58 121.91 3d4u h GLU 283 Ca -0.49 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3d4u h GLU 283 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3d4u h GLU 283 CO 0.51 0.00 0.14 0.66 -1.00 0.00 0.00 179.01 179.32 3d4u h SER 284 N 0.00 0.00 0.02 1.42 4.64 -1.91 -1.75 113.55 115.97 3d4u h SER 284 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d4u h SER 284 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d4u h SER 284 CO 0.00 0.00 -0.05 -1.22 -0.87 0.00 0.00 176.83 174.69 3d4u n TYR 285 N -3.34 0.00 -0.06 4.77 4.01 -0.50 -4.30 117.16 117.75 3d4u n TYR 285 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 3d4u n TYR 285 Cb 0.22 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 3d4u n TYR 285 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3d4u h ILE 286 N 2.56 1.26 0.44 -0.72 2.04 -1.44 -2.31 117.51 119.34 3d4u h ILE 286 Ca 0.00 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 3d4u h ILE 286 Cb 0.59 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3d4u h ILE 286 CO 0.00 0.27 -0.28 -0.09 0.00 0.00 0.00 178.15 178.05 3d4u h ARG 287 N 0.07 -0.67 -0.42 2.37 2.43 -1.77 0.57 114.38 116.96 3d4u h ARG 287 Ca 0.05 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3d4u h ARG 287 Cb 0.41 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3d4u h ARG 287 CO 0.01 -0.44 0.06 -1.00 -1.51 0.00 0.00 179.97 177.09 3d4u h PRO 288 N -0.69 0.64 -0.22 0.20 0.13 -1.81 -0.08 132.00 130.17 3d4u h PRO 288 Ca -0.05 -0.13 -0.06 0.00 -0.87 0.00 0.00 66.00 64.89 3d4u h PRO 288 Cb 0.57 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3d4u h PRO 288 CO 0.05 0.61 -0.11 1.15 -0.23 0.00 0.00 178.00 179.47 3d4u h THR 289 N 0.62 1.31 -0.03 1.56 2.02 -1.25 -2.55 112.91 114.58 3d4u h THR 289 Ca 0.14 -1.18 -0.19 0.00 0.77 0.00 0.00 66.41 65.95 3d4u h THR 289 Cb 0.29 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3d4u h THR 289 CO 0.00 0.36 -0.81 0.00 0.37 0.00 0.00 175.52 175.45 3d4u h SER 291 N 0.17 0.81 -0.33 0.00 0.02 -1.03 -0.17 113.55 113.01 3d4u h SER 291 Ca -0.04 -0.22 -0.16 0.00 -0.84 0.00 0.00 61.79 60.53 3d4u h SER 291 Cb 1.41 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 3d4u h SER 291 CO 0.13 0.82 -0.41 1.05 -1.14 0.00 0.00 176.83 177.27 3d4u h GLU 292 N 0.76 0.86 -0.41 3.45 4.11 -1.39 -2.68 114.58 119.28 3d4u h GLU 292 Ca 0.17 -0.49 -0.04 0.00 0.07 0.00 0.00 59.36 59.08 3d4u h GLU 292 Cb 0.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3d4u h GLU 292 CO -0.00 1.13 0.09 0.00 0.07 0.00 0.00 179.01 180.30 3d4u h ALA 293 N 0.72 1.40 -0.60 1.06 0.00 -1.21 -1.88 119.26 118.75 3d4u h ALA 293 Ca 0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3d4u h ALA 293 Cb 1.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3d4u h ALA 293 CO 0.10 0.44 0.15 1.25 0.00 0.00 0.00 179.25 181.19 3d4u h LEU 294 N 0.60 0.91 -0.72 0.00 5.85 -0.86 0.43 115.31 121.52 3d4u h LEU 294 Ca 0.14 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3d4u h LEU 294 Cb 0.24 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3d4u h LEU 294 CO -0.00 0.90 0.38 0.58 -0.34 0.00 0.00 178.44 179.96 3d4u h VAL 295 N 0.87 1.23 -0.14 1.05 2.07 -1.10 -0.60 116.25 119.63 3d4u h VAL 295 Ca 0.19 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3d4u h VAL 295 Cb 0.34 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3d4u h VAL 295 CO 0.00 0.26 0.08 0.00 0.02 0.00 0.00 177.57 177.93 3d4u h ALA 296 N 1.19 0.19 -0.66 1.67 0.00 -0.96 -1.83 119.26 118.85 3d4u h ALA 296 Ca 0.25 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3d4u h ALA 296 Cb 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3d4u h ALA 296 CO -0.04 -0.28 0.37 0.28 0.00 0.00 0.00 179.25 179.58 3d4u h VAL 297 N 0.14 0.99 -0.81 0.00 2.07 -0.66 -1.30 116.25 116.68 3d4u h VAL 297 Ca 0.05 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3d4u h VAL 297 Cb 0.06 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 3d4u h VAL 297 CO -0.01 0.13 0.53 0.00 0.02 0.00 0.00 177.57 178.24 3d4u h ALA 298 N 1.33 1.45 -0.29 1.67 0.00 -0.97 0.52 119.26 122.97 3d4u h ALA 298 Ca 0.29 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3d4u h ALA 298 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3d4u h ALA 298 CO -0.16 0.50 -0.23 -0.22 0.00 0.00 0.00 179.25 179.13 3d4u h LYS 299 N 1.07 0.66 -0.09 0.00 1.63 -0.57 -0.41 116.57 118.86 3d4u h LYS 299 Ca 0.30 -0.33 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3d4u h LYS 299 Cb -0.08 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3d4u h LYS 299 CO -0.07 0.94 0.03 0.82 -3.45 0.00 0.00 179.45 177.71 3d4u h ILE 300 N 0.40 0.97 -1.01 2.00 2.04 -0.93 -1.82 117.51 119.17 3d4u h ILE 300 Ca 0.05 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3d4u h ILE 300 Cb 0.79 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 3d4u h ILE 300 CO 0.06 0.01 0.65 0.00 0.00 0.00 0.00 178.15 178.87 3d4u h ALA 301 N 1.06 1.41 -0.49 1.87 0.00 -0.75 -0.68 119.26 121.68 3d4u h ALA 301 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3d4u h ALA 301 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3d4u h ALA 301 CO -0.05 0.43 0.22 1.03 0.00 0.00 0.00 179.25 180.88 3d4u h SER 302 N 1.17 0.66 -0.42 0.00 0.87 -0.77 -1.70 113.55 113.35 3d4u h SER 302 Ca 0.44 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3d4u h SER 302 Cb 0.20 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3d4u h SER 302 CO -0.18 0.62 0.16 -0.74 -0.53 0.00 0.00 176.83 176.16 3d4u h HIS 303 N 0.65 0.65 -0.28 2.24 6.17 -0.60 -2.52 115.15 121.46 3d4u h HIS 303 Ca 0.17 -0.05 0.04 0.00 0.71 0.00 0.00 60.37 61.24 3d4u h HIS 303 Cb 0.15 -0.19 -0.04 0.00 2.52 0.00 0.00 27.41 29.85 3d4u h HIS 303 CO -0.00 0.57 0.04 0.28 0.71 0.00 0.00 177.93 179.53 3d4u h VAL 304 N 0.54 0.84 -0.99 5.26 2.07 -0.94 -1.49 116.25 121.54 3d4u h VAL 304 Ca 0.14 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3d4u h VAL 304 Cb 0.20 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3d4u h VAL 304 CO -0.01 0.02 0.65 0.58 0.02 0.00 0.00 177.57 178.84 3d4u h VAL 305 N 0.13 1.23 0.00 2.57 2.07 -1.19 -1.16 116.25 119.91 3d4u h VAL 305 Ca 0.13 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3d4u h VAL 305 Cb 0.15 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 3d4u h VAL 305 CO -0.19 0.24 0.00 0.11 0.02 0.00 0.00 177.57 177.75 3d4u h LYS 306 N 1.32 0.00 0.00 1.57 1.57 -0.97 -3.31 116.57 116.75 3d4u h LYS 306 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3d4u h LYS 306 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3d4u h LYS 306 CO -0.09 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.88 3d4u n ASN 307 N -2.70 1.37 -0.38 0.86 3.02 -0.61 -5.10 115.26 111.72 3d4u n ASN 307 Ca 0.04 -1.47 0.05 0.00 -0.03 0.00 0.00 54.58 53.17 3d4u n ASN 307 Cb 0.44 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.65 3d4u n ASN 307 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16