#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4m s SER -1 N 0.00 5.77 0.02 1.61 1.04 -1.26 -4.50 113.70 116.38 2i4m s SER -1 Ca 0.00 2.86 -0.03 0.00 0.48 0.00 0.00 55.95 59.26 2i4m s SER -1 Cb 0.00 -2.65 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 2i4m s SER -1 CO 0.00 -1.24 0.04 -1.38 0.98 0.00 0.00 173.24 171.64 2i4m s HIS 0 N -1.23 0.19 -0.17 5.02 -3.43 -1.26 -1.69 115.29 112.72 2i4m s HIS 0 Ca 0.63 -0.42 -0.28 0.00 -0.80 0.00 0.00 55.06 54.20 2i4m s HIS 0 Cb -0.42 -0.15 0.07 0.00 -1.43 0.00 0.00 32.58 30.65 2i4m s HIS 0 CO 0.54 -0.25 0.71 1.41 -2.00 0.00 0.00 174.74 175.15 2i4m s MET 1 N -1.66 0.93 -0.18 -0.38 1.75 -0.93 -4.99 119.30 113.84 2i4m s MET 1 Ca -0.14 0.66 -0.03 0.00 -1.25 0.00 0.00 55.69 54.93 2i4m s MET 1 Cb -0.08 0.44 -0.02 0.00 2.84 0.00 0.00 34.83 38.02 2i4m s MET 1 CO -0.01 -0.20 -0.06 1.03 -0.65 0.00 0.00 175.02 175.13 2i4m s ARG 2 N -0.33 3.47 0.61 4.11 0.52 -1.26 -1.02 118.95 125.05 2i4m s ARG 2 Ca -0.05 -0.61 0.31 0.00 -0.52 0.00 0.00 55.73 54.86 2i4m s ARG 2 Cb -0.03 -2.88 1.74 0.00 0.52 0.00 0.00 34.95 34.30 2i4m s ARG 2 CO 0.05 0.05 2.09 1.25 0.02 0.00 0.00 175.30 178.75 2i4m h LEU 3 N 7.31 0.00 -0.25 2.53 6.46 -1.13 0.84 115.31 131.07 2i4m h LEU 3 Ca -0.34 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.34 2i4m h LEU 3 Cb 1.18 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 2i4m h LEU 3 CO 0.60 0.00 -0.15 0.77 -0.62 0.00 0.00 178.44 179.04 2i4m h SER 4 N 0.00 0.57 -0.01 1.25 4.64 -1.88 -2.77 113.55 115.36 2i4m h SER 4 Ca 0.07 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2i4m h SER 4 Cb 0.52 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2i4m h SER 4 CO -0.00 0.87 0.01 0.03 -0.87 0.00 0.00 176.83 176.88 2i4m h ARG 5 N 0.27 0.00 -7.42 4.77 2.47 0.23 -3.46 114.38 111.24 2i4m h ARG 5 Ca 0.05 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.31 2i4m h ARG 5 Cb 0.67 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 29.11 2i4m h ARG 5 CO 0.04 0.00 0.24 0.12 0.56 0.00 0.00 179.97 180.94 2i4m s PHE 6 N -4.41 1.59 -0.37 3.04 5.36 -0.26 -4.96 117.98 117.96 2i4m s PHE 6 Ca -0.05 -0.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 2i4m s PHE 6 Cb 0.14 -3.47 0.12 0.00 -0.34 0.00 0.00 43.02 39.47 2i4m s PHE 6 CO 0.48 -2.11 0.17 0.12 -1.46 0.00 0.00 175.22 172.42 2i4m s PHE 7 N -3.46 1.74 -0.33 10.12 5.36 -1.26 -5.01 117.98 125.14 2i4m s PHE 7 Ca 0.70 -2.04 -0.01 0.00 -0.96 0.00 0.00 56.93 54.62 2i4m s PHE 7 Cb -0.05 -1.72 0.11 0.00 -0.34 0.00 0.00 43.02 41.03 2i4m s PHE 7 CO 0.48 -0.83 0.16 -1.17 -1.46 0.00 0.00 175.22 172.39 2i4m s LEU 8 N 1.00 1.55 -1.04 6.12 2.96 -1.26 -4.49 118.68 123.53 2i4m s LEU 8 Ca 0.14 -1.83 -0.17 0.00 -0.22 0.00 0.00 54.13 52.06 2i4m s LEU 8 Cb -0.21 -0.64 0.15 0.00 0.50 0.00 0.00 46.19 45.98 2i4m s LEU 8 CO -0.11 -0.37 1.25 -2.16 -1.32 0.00 0.00 176.35 173.63 2i4m s PRO 9 N 1.42 3.79 0.22 0.98 0.04 -1.26 -4.97 135.00 135.22 2i4m s PRO 9 Ca 0.13 -2.08 -0.30 0.00 0.04 0.00 0.00 61.00 58.79 2i4m s PRO 9 Cb -0.19 -4.97 -0.09 0.00 0.04 0.00 0.00 34.50 29.28 2i4m s PRO 9 CO -0.18 -1.77 1.40 0.42 0.04 0.00 0.00 177.00 176.91 2i4m s ILE 10 N 2.26 2.88 -0.15 0.56 -1.09 -1.26 -3.68 121.20 120.73 2i4m s ILE 10 Ca 0.37 0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 59.42 2i4m s ILE 10 Cb -0.04 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 2i4m s ILE 10 CO -0.06 0.10 0.16 -0.76 -1.23 0.00 0.00 174.94 173.16 2i4m s LEU 11 N -0.08 4.32 -0.05 2.97 1.43 0.30 -4.97 118.68 122.60 2i4m s LEU 11 Ca 0.60 0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 53.92 2i4m s LEU 11 Cb -0.40 -2.12 -0.13 0.00 0.03 0.00 0.00 46.19 43.57 2i4m s LEU 11 CO 0.40 0.30 0.76 0.11 0.23 0.00 0.00 176.35 178.15 2i4m h LYS 12 N 5.70 -0.30 -7.19 1.70 6.56 -1.96 -3.45 116.57 117.64 2i4m h LYS 12 Ca -0.49 0.02 -0.48 0.00 -1.06 0.00 0.00 60.65 58.64 2i4m h LYS 12 Cb 1.20 0.07 0.02 0.00 -0.57 0.00 0.00 32.23 32.95 2i4m h LYS 12 CO 0.66 0.04 0.35 -1.21 -2.06 0.00 0.00 179.45 177.23 2i4m s GLU 13 N -3.30 3.86 0.13 3.15 0.41 -1.26 -5.04 118.70 116.64 2i4m s GLU 13 Ca -0.11 0.85 -0.31 0.00 -0.41 0.00 0.00 54.97 54.99 2i4m s GLU 13 Cb 0.01 -2.15 -0.09 0.00 -1.78 0.00 0.00 34.13 30.11 2i4m s GLU 13 CO 0.38 -0.31 1.47 -0.80 -0.49 0.00 0.00 175.26 175.52 2i4m s ASN 14 N -3.32 6.72 0.17 -0.19 0.01 -1.26 -4.90 114.94 112.18 2i4m s ASN 14 Ca 0.57 2.44 -0.32 0.00 -0.71 0.00 0.00 52.86 54.84 2i4m s ASN 14 Cb -0.10 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 38.86 2i4m s ASN 14 CO 0.36 -0.73 1.67 -2.84 -1.51 0.00 0.00 177.10 174.05 2i4m s PRO 15 N 1.22 4.17 0.44 -0.60 0.02 -1.26 -4.91 135.00 134.08 2i4m s PRO 15 Ca 0.67 2.49 0.13 0.00 0.02 0.00 0.00 61.00 64.31 2i4m s PRO 15 Cb -0.39 -3.20 0.96 0.00 0.02 0.00 0.00 34.50 31.89 2i4m s PRO 15 CO 0.31 -0.70 1.98 0.87 -0.33 0.00 0.00 177.00 179.12 2i4m h LYS 16 N 7.10 0.05 0.00 5.54 1.79 -2.02 -2.32 116.57 126.72 2i4m h LYS 16 Ca -0.43 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 2i4m h LYS 16 Cb 1.20 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2i4m h LYS 16 CO 0.94 0.22 -0.04 1.05 -1.08 0.00 0.00 179.45 180.53 2i4m h GLU 17 N 0.05 0.00 -5.05 3.15 9.09 -2.03 -3.43 114.58 116.36 2i4m h GLU 17 Ca 0.01 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.75 2i4m h GLU 17 Cb 0.32 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 27.24 2i4m h GLU 17 CO 0.02 0.04 0.32 0.00 0.05 0.00 0.00 179.01 179.45 2i4m s ALA 18 N -3.80 3.27 0.30 1.06 0.00 -0.88 -4.92 121.76 116.81 2i4m s ALA 18 Ca -0.00 -2.04 0.06 0.00 0.00 0.00 0.00 51.96 49.97 2i4m s ALA 18 Cb 0.10 -3.69 0.49 0.00 0.00 0.00 0.00 23.12 20.02 2i4m s ALA 18 CO 0.54 -2.56 1.74 0.93 0.00 0.00 0.00 175.76 176.41 2i4m h GLU 19 N 9.37 0.30 -5.78 0.00 5.08 -1.87 -3.42 114.58 118.27 2i4m h GLU 19 Ca -0.29 -0.12 -0.50 0.00 -1.00 0.00 0.00 59.36 57.44 2i4m h GLU 19 Cb 1.08 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 2i4m h GLU 19 CO 1.14 0.60 -0.75 0.96 -1.00 0.00 0.00 179.01 179.97 2i4m s ILE 20 N -4.32 1.95 0.12 3.13 -4.36 -1.26 -5.02 121.20 111.43 2i4m s ILE 20 Ca -0.05 -2.23 -0.27 0.00 -0.26 0.00 0.00 60.65 57.83 2i4m s ILE 20 Cb 0.14 -2.09 -0.07 0.00 1.25 0.00 0.00 42.46 41.68 2i4m s ILE 20 CO 0.77 -0.51 1.63 0.58 0.24 0.00 0.00 174.94 177.65 2i4m h VAL 21 N 2.56 0.39 -1.00 8.37 2.07 -1.99 -0.42 116.25 126.24 2i4m h VAL 21 Ca -0.39 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.33 2i4m h VAL 21 Cb 1.23 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 31.29 2i4m h VAL 21 CO 0.60 0.00 0.61 0.77 0.02 0.00 0.00 177.57 179.58 2i4m h SER 22 N -0.47 0.71 0.02 0.57 4.64 -1.91 0.36 113.55 117.47 2i4m h SER 22 Ca 0.04 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2i4m h SER 22 Cb 0.52 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2i4m h SER 22 CO -0.18 0.24 -0.01 -0.74 -0.87 0.00 0.00 176.83 175.27 2i4m h HIS 23 N 0.68 -0.03 0.08 4.77 6.17 -1.76 -2.48 115.15 122.58 2i4m h HIS 23 Ca 0.57 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.66 2i4m h HIS 23 Cb 1.00 0.01 -0.05 0.00 2.52 0.00 0.00 27.41 30.89 2i4m h HIS 23 CO -0.00 0.54 -0.50 -0.09 0.71 0.00 0.00 177.93 178.58 2i4m h ARG 24 N -0.62 -0.66 -0.23 5.26 2.43 0.14 -2.62 114.38 118.08 2i4m h ARG 24 Ca -0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2i4m h ARG 24 Cb 0.58 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 2i4m h ARG 24 CO 0.01 -0.44 -0.08 -0.07 -1.51 0.00 0.00 179.97 177.88 2i4m h LEU 25 N -0.68 -0.28 -1.21 3.80 3.38 -0.43 -1.21 115.31 118.68 2i4m h LEU 25 Ca -0.00 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2i4m h LEU 25 Cb 0.70 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 2i4m h LEU 25 CO -0.29 -0.10 0.56 0.24 0.09 0.00 0.00 178.44 178.93 2i4m h MET 26 N -0.03 0.92 0.04 1.13 2.86 -1.32 1.04 114.93 119.57 2i4m h MET 26 Ca 0.12 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2i4m h MET 26 Cb 0.21 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2i4m h MET 26 CO -0.26 0.61 -0.02 -0.07 1.06 0.00 0.00 176.91 178.23 2i4m h LEU 27 N 0.95 -0.05 -0.25 1.22 3.38 -1.07 -0.90 115.31 118.58 2i4m h LEU 27 Ca 0.37 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2i4m h LEU 27 Cb 0.23 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2i4m h LEU 27 CO -0.14 0.35 -0.00 0.03 0.09 0.00 0.00 178.44 178.77 2i4m h ARG 28 N -0.45 0.07 -0.47 1.13 2.47 -0.29 -0.89 114.38 115.94 2i4m h ARG 28 Ca -0.01 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2i4m h ARG 28 Cb 0.41 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 2i4m h ARG 28 CO 0.01 0.05 0.00 0.00 0.56 0.00 0.00 179.97 180.59 2i4m n ALA 29 N -2.38 2.31 -3.59 0.04 0.00 0.35 -0.54 120.51 116.70 2i4m n ALA 29 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 2i4m n ALA 29 Cb 0.13 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.61 2i4m n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4m n GLY 30 N 0.20 -1.09 0.00 0.00 0.00 -0.34 -4.82 105.19 99.15 2i4m n GLY 30 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2i4m n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2i4m n MET 31 N -3.57 1.32 -3.84 1.61 2.81 -0.36 -4.46 117.12 110.63 2i4m n MET 31 Ca -0.11 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.67 2i4m n MET 31 Cb 0.59 -0.90 -0.09 0.00 -0.71 0.00 0.00 33.22 32.12 2i4m n MET 31 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2i4m s LEU 32 N -2.45 1.32 -0.07 4.03 2.96 -1.22 -0.69 118.68 122.56 2i4m s LEU 32 Ca 0.00 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2i4m s LEU 32 Cb 0.00 0.93 0.04 0.00 0.50 0.00 0.00 46.19 47.66 2i4m s LEU 32 CO 0.00 -0.48 0.17 -0.60 -1.32 0.00 0.00 176.35 174.13 2i4m s ARG 33 N -1.94 0.14 -0.16 1.98 3.52 -0.77 -4.68 118.95 117.05 2i4m s ARG 33 Ca -0.10 0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 2i4m s ARG 33 Cb -0.04 -0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.24 2i4m s ARG 33 CO -0.00 -0.13 1.09 -1.14 -0.81 0.00 0.00 175.30 174.30 2i4m s GLN 34 N 0.94 4.32 -0.07 5.12 0.74 -1.26 -0.16 119.66 129.30 2i4m s GLN 34 Ca -0.07 1.46 0.20 0.00 0.05 0.00 0.00 55.36 57.00 2i4m s GLN 34 Cb -0.09 -3.62 -0.30 0.00 1.10 0.00 0.00 33.01 30.11 2i4m s GLN 34 CO -0.05 -0.52 0.36 0.39 -0.55 0.00 0.00 175.29 174.92 2i4m n GLU 35 N 5.80 0.68 -3.79 1.67 -0.58 0.35 -4.91 120.64 119.86 2i4m n GLU 35 Ca 0.11 -0.15 -0.05 0.00 -0.42 0.00 0.00 57.16 56.65 2i4m n GLU 35 Cb 0.47 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.83 2i4m n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i4m s ALA 36 N -3.20 -1.47 -0.18 0.62 0.00 -0.70 -5.00 121.76 111.82 2i4m s ALA 36 Ca -0.08 -0.04 -0.33 0.00 0.00 0.00 0.00 51.96 51.51 2i4m s ALA 36 Cb 0.11 0.73 -0.10 0.00 0.00 0.00 0.00 23.12 23.86 2i4m s ALA 36 CO 0.84 -1.03 2.05 0.00 0.00 0.00 0.00 175.76 177.61 2i4m n ALA 37 N -0.46 1.18 -1.19 0.00 0.00 -1.26 -1.39 120.51 117.39 2i4m n ALA 37 Ca -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2i4m n ALA 37 Cb 0.60 -2.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 2i4m n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4m n GLY 38 N 5.28 0.76 3.11 0.00 0.00 -1.26 -4.64 105.19 108.44 2i4m n GLY 38 Ca 0.29 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2i4m n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4m s ILE 39 N -1.84 2.08 -0.03 -0.61 1.01 -0.48 0.79 121.20 122.12 2i4m s ILE 39 Ca 0.00 -1.10 0.07 0.00 0.00 0.00 0.00 60.65 59.62 2i4m s ILE 39 Cb 0.00 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2i4m s ILE 39 CO 0.00 0.40 -0.24 -0.31 0.00 0.00 0.00 174.94 174.80 2i4m s TYR 40 N 1.25 2.41 0.27 3.97 2.02 -1.26 -0.49 117.35 125.52 2i4m s TYR 40 Ca 0.02 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 2i4m s TYR 40 Cb -0.15 -1.53 -0.08 0.00 -0.40 0.00 0.00 41.96 39.80 2i4m s TYR 40 CO -0.11 -0.00 0.70 0.00 -1.57 0.00 0.00 175.55 174.56 2i4m s ALA 41 N -0.61 3.39 -0.26 3.71 0.00 0.78 -4.90 121.76 123.87 2i4m s ALA 41 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 2i4m s ALA 41 Cb -0.10 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.33 2i4m s ALA 41 CO -0.01 0.36 -0.05 -1.58 0.00 0.00 0.00 175.76 174.48 2i4m s TRP 42 N -1.81 3.13 0.62 0.00 0.52 -1.26 -1.84 118.94 118.31 2i4m s TRP 42 Ca 0.49 -1.72 -0.11 0.00 0.02 0.00 0.00 56.10 54.78 2i4m s TRP 42 Cb -0.12 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 2i4m s TRP 42 CO 0.19 -0.77 1.03 -0.51 0.02 0.00 0.00 176.95 176.91 2i4m s LEU 43 N 1.28 3.23 0.23 2.99 1.43 0.13 -4.37 118.68 123.60 2i4m s LEU 43 Ca -0.02 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 2i4m s LEU 43 Cb -0.18 -4.47 0.32 0.00 0.03 0.00 0.00 46.19 41.89 2i4m s LEU 43 CO -0.04 -0.92 1.41 -2.65 0.23 0.00 0.00 176.35 174.38 2i4m n PRO 44 N -2.75 -0.14 0.11 1.29 -0.02 -1.26 0.86 135.00 133.09 2i4m n PRO 44 Ca 0.06 1.40 -0.13 0.00 -2.02 0.00 0.00 63.50 62.81 2i4m n PRO 44 Cb 0.54 -2.09 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 2i4m n PRO 44 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2i4m h LEU 45 N 0.00 -0.19 -0.41 2.45 5.85 -1.84 -1.17 115.31 120.00 2i4m h LEU 45 Ca 0.38 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.12 2i4m h LEU 45 Cb 0.61 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 2i4m h LEU 45 CO -0.92 -0.06 -0.27 1.23 -0.34 0.00 0.00 178.44 178.09 2i4m h GLY 46 N -0.31 -0.07 0.27 3.75 0.00 0.40 -0.20 103.07 106.90 2i4m h GLY 46 Ca -0.02 0.34 0.11 0.00 0.00 0.00 0.00 47.33 47.76 2i4m h GLY 46 CO 0.04 -0.21 0.21 0.84 0.00 0.00 0.00 176.54 177.42 2i4m h HIS 47 N -0.19 0.36 -0.81 5.60 -0.00 -0.54 -1.83 115.15 117.74 2i4m h HIS 47 Ca 0.19 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 2i4m h HIS 47 Cb 0.50 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.81 2i4m h HIS 47 CO -0.50 0.05 0.40 0.00 -0.00 0.00 0.00 177.93 177.88 2i4m h ARG 48 N 0.37 1.16 0.06 5.26 3.08 0.23 0.14 114.38 124.68 2i4m h ARG 48 Ca 0.33 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2i4m h ARG 48 Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2i4m h ARG 48 CO -0.36 0.89 -0.03 0.28 -1.07 0.00 0.00 179.97 179.69 2i4m h VAL 49 N 1.15 1.14 -0.98 2.04 2.07 -1.00 -2.22 116.25 118.44 2i4m h VAL 49 Ca 0.28 -0.65 0.18 0.00 0.82 0.00 0.00 66.70 67.33 2i4m h VAL 49 Cb 0.11 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 2i4m h VAL 49 CO -0.04 0.16 0.61 0.25 0.02 0.00 0.00 177.57 178.58 2i4m h LEU 50 N -0.36 0.75 -0.74 2.57 5.85 -0.63 0.23 115.31 122.97 2i4m h LEU 50 Ca -0.01 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2i4m h LEU 50 Cb 0.32 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2i4m h LEU 50 CO 0.01 0.30 -0.26 0.11 -0.34 0.00 0.00 178.44 178.27 2i4m h LYS 51 N 0.75 0.00 -0.05 1.25 1.57 -0.49 -0.42 116.57 119.19 2i4m h LYS 51 Ca 0.54 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.22 2i4m h LYS 51 Cb 0.85 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.17 2i4m h LYS 51 CO -0.32 0.26 -0.37 0.87 -0.57 0.00 0.00 179.45 179.32 2i4m h LYS 52 N 0.00 0.35 -0.22 3.15 1.57 -0.02 -2.65 116.57 118.75 2i4m h LYS 52 Ca -0.00 -0.30 0.06 0.00 -1.87 0.00 0.00 60.65 58.53 2i4m h LYS 52 Cb 0.92 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.24 2i4m h LYS 52 CO 0.03 0.96 -0.20 0.82 -0.57 0.00 0.00 179.45 180.49 2i4m h ILE 53 N -0.16 0.47 -0.89 1.86 2.04 -0.95 -1.32 117.51 118.55 2i4m h ILE 53 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 2i4m h ILE 53 Cb 1.05 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 37.51 2i4m h ILE 53 CO 0.08 0.00 0.49 -0.08 0.00 0.00 0.00 178.15 178.64 2i4m h GLU 54 N -0.21 0.69 -0.40 2.37 4.81 -1.15 -2.28 114.58 118.42 2i4m h GLU 54 Ca 0.13 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2i4m h GLU 54 Cb 0.40 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2i4m h GLU 54 CO -0.35 0.46 -0.02 0.37 -0.73 0.00 0.00 179.01 178.74 2i4m h GLN 55 N 0.71 0.72 -0.26 1.92 5.75 -1.01 -0.22 115.11 122.72 2i4m h GLN 55 Ca 0.48 -0.24 -0.05 0.00 -0.15 0.00 0.00 58.65 58.69 2i4m h GLN 55 Cb 0.64 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 2i4m h GLN 55 CO -0.34 0.82 -0.05 0.82 -2.65 0.00 0.00 178.83 177.42 2i4m h ILE 56 N 0.54 1.19 -0.12 2.39 2.04 -0.74 -0.83 117.51 121.97 2i4m h ILE 56 Ca 0.11 -0.77 -0.22 0.00 1.00 0.00 0.00 64.86 64.98 2i4m h ILE 56 Cb 0.51 1.05 0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2i4m h ILE 56 CO 0.02 0.25 -0.81 0.58 0.00 0.00 0.00 178.15 178.20 2i4m h VAL 57 N 0.38 1.30 0.42 1.67 2.07 -1.28 -2.60 116.25 118.21 2i4m h VAL 57 Ca 0.08 -2.05 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 2i4m h VAL 57 Cb 0.34 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2i4m h VAL 57 CO 0.01 0.64 -0.20 -0.09 0.02 0.00 0.00 177.57 177.95 2i4m h ARG 58 N 0.47 -0.54 -0.65 1.57 2.43 -0.45 -1.93 114.38 115.27 2i4m h ARG 58 Ca -0.06 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 2i4m h ARG 58 Cb 1.43 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 31.01 2i4m h ARG 58 CO 0.16 -0.33 0.12 0.93 -1.51 0.00 0.00 179.97 179.34 2i4m h GLU 59 N -0.63 0.22 0.00 0.20 5.08 -1.21 -1.42 114.58 116.83 2i4m h GLU 59 Ca -0.06 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2i4m h GLU 59 Cb 0.47 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2i4m h GLU 59 CO 0.09 0.15 -0.61 0.93 -1.00 0.00 0.00 179.01 178.57 2i4m h GLU 60 N 0.23 0.00 -0.41 2.33 4.39 -1.37 -0.18 114.58 119.57 2i4m h GLU 60 Ca 0.35 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 2i4m h GLU 60 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2i4m h GLU 60 CO -0.46 0.61 -0.04 1.96 -1.16 0.00 0.00 179.01 179.92 2i4m h GLN 61 N 0.00 0.75 -0.35 2.33 1.08 -0.92 -2.81 115.11 115.18 2i4m h GLN 61 Ca -0.01 -0.26 -0.09 0.00 -1.45 0.00 0.00 58.65 56.85 2i4m h GLN 61 Cb 1.17 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2i4m h GLN 61 CO 0.08 0.85 -0.13 -0.91 -0.95 0.00 0.00 178.83 177.77 2i4m h ASN 62 N 0.58 0.73 0.04 1.46 2.35 -0.94 -1.53 115.58 118.27 2i4m h ASN 62 Ca 0.11 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2i4m h ASN 62 Cb 0.53 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 2i4m h ASN 62 CO 0.03 0.96 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.66 2i4m h ARG 63 N 0.50 0.00 -0.48 0.81 2.43 -1.03 0.45 114.38 117.06 2i4m h ARG 63 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2i4m h ARG 63 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2i4m h ARG 63 CO 0.04 0.01 0.00 0.00 -1.51 0.00 0.00 179.97 178.52 2i4m n ALA 64 N -2.29 2.55 -0.84 2.80 0.00 -0.91 -4.87 120.51 116.95 2i4m n ALA 64 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2i4m n ALA 64 Cb 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2i4m n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4m n GLY 65 N 1.07 0.74 3.85 0.00 0.00 0.15 -4.95 105.19 106.05 2i4m n GLY 65 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2i4m n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4m s ALA 66 N -2.77 3.07 -0.19 4.61 0.00 -0.63 -4.69 121.76 121.16 2i4m s ALA 66 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 2i4m s ALA 66 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2i4m s ALA 66 CO 0.00 -0.37 -0.14 0.42 0.00 0.00 0.00 175.76 175.67 2i4m s ILE 67 N -2.77 2.57 0.05 0.00 1.01 0.52 -4.38 121.20 118.20 2i4m s ILE 67 Ca 0.58 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 60.15 2i4m s ILE 67 Cb -0.10 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.19 2i4m s ILE 67 CO 0.37 0.50 1.27 -0.70 0.00 0.00 0.00 174.94 176.38 2i4m s GLU 68 N 1.28 4.38 0.00 2.79 2.12 -1.26 -2.07 118.70 125.94 2i4m s GLU 68 Ca 0.04 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.22 2i4m s GLU 68 Cb -0.14 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.87 2i4m s GLU 68 CO -0.08 -0.36 0.00 1.47 -0.54 0.00 0.00 175.26 175.75 2i4m n LEU 69 N 4.27 0.00 -3.66 2.70 -0.00 0.10 -4.93 117.00 115.49 2i4m n LEU 69 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.06 2i4m n LEU 69 Cb 0.45 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.80 2i4m n LEU 69 CO 0.57 0.00 0.18 -0.22 -0.00 0.00 0.00 177.39 177.92 2i4m s LEU 70 N 0.00 -0.83 0.38 1.47 2.96 -1.26 -4.35 118.68 117.05 2i4m s LEU 70 Ca 0.00 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.24 2i4m s LEU 70 Cb 0.00 1.92 -0.01 0.00 0.50 0.00 0.00 46.19 48.59 2i4m s LEU 70 CO 0.00 -0.22 0.57 -0.04 -1.32 0.00 0.00 176.35 175.33 2i4m s MET 71 N 2.40 3.19 0.59 1.98 -1.94 -1.26 -5.09 119.30 119.17 2i4m s MET 71 Ca -0.06 -0.62 -0.08 0.00 -1.71 0.00 0.00 55.69 53.23 2i4m s MET 71 Cb -0.10 -2.67 -0.01 0.00 2.01 0.00 0.00 34.83 34.05 2i4m s MET 71 CO -0.17 -0.04 0.93 -1.25 -0.01 0.00 0.00 175.02 174.48 2i4m s PRO 72 N -4.36 3.15 0.38 2.03 0.05 -1.26 -4.96 135.00 130.03 2i4m s PRO 72 Ca 0.45 0.25 0.17 0.00 0.05 0.00 0.00 61.00 61.91 2i4m s PRO 72 Cb -0.10 -2.22 0.75 0.00 0.05 0.00 0.00 34.50 32.99 2i4m s PRO 72 CO 0.35 -0.63 1.79 1.79 0.05 0.00 0.00 177.00 180.35 2i4m h THR 73 N -0.20 1.06 -3.66 1.26 1.35 -1.97 -3.43 112.91 107.31 2i4m h THR 73 Ca -0.45 -1.39 -0.68 0.00 -0.55 0.00 0.00 66.41 63.33 2i4m h THR 73 Cb 1.23 1.80 -0.22 0.00 -1.73 0.00 0.00 68.15 69.23 2i4m h THR 73 CO 0.62 0.37 -0.54 -0.76 -0.25 0.00 0.00 175.52 174.96 2i4m s LEU 74 N -7.56 4.26 0.23 3.87 1.43 -1.26 -1.34 118.68 118.31 2i4m s LEU 74 Ca -0.02 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 2i4m s LEU 74 Cb 0.13 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2i4m s LEU 74 CO 0.70 -0.22 0.25 -1.10 0.23 0.00 0.00 176.35 176.20 2i4m s GLN 75 N 1.63 3.13 -0.17 1.70 -0.21 -0.01 -4.94 119.66 120.78 2i4m s GLN 75 Ca 0.05 -0.91 -0.22 0.00 0.02 0.00 0.00 55.36 54.30 2i4m s GLN 75 Cb -0.17 -2.71 -0.02 0.00 1.00 0.00 0.00 33.01 31.11 2i4m s GLN 75 CO 0.07 0.43 0.68 -0.51 -2.12 0.00 0.00 175.29 173.84 2i4m s LEU 76 N -3.76 4.17 0.24 2.90 1.43 -1.26 -0.79 118.68 121.61 2i4m s LEU 76 Ca 0.33 0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 54.33 2i4m s LEU 76 Cb -0.09 -2.99 0.44 0.00 0.03 0.00 0.00 46.19 43.59 2i4m s LEU 76 CO 0.26 -0.28 1.72 0.00 0.23 0.00 0.00 176.35 178.28 2i4m h ALA 77 N 7.34 1.00 -1.13 4.21 0.00 -1.71 0.86 119.26 129.83 2i4m h ALA 77 Ca -0.32 0.13 0.32 0.00 0.00 0.00 0.00 54.91 55.04 2i4m h ALA 77 Cb 1.15 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2i4m h ALA 77 CO 0.79 -0.25 0.73 -0.44 0.00 0.00 0.00 179.25 180.08 2i4m h ASP 78 N 0.38 0.36 -0.28 0.00 3.32 -1.93 0.39 116.42 118.65 2i4m h ASP 78 Ca 0.41 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.53 2i4m h ASP 78 Cb 0.63 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2i4m h ASP 78 CO -0.43 -0.00 0.08 0.25 -1.72 0.00 0.00 179.24 177.42 2i4m h LEU 79 N 0.27 0.41 -1.34 1.55 5.85 -1.22 -2.77 115.31 118.06 2i4m h LEU 79 Ca 0.66 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 2i4m h LEU 79 Cb 1.88 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 2i4m h LEU 79 CO -0.32 0.52 -0.28 -0.50 -0.34 0.00 0.00 178.44 177.52 2i4m h TRP 80 N 0.29 0.00 -0.27 1.25 4.06 -0.24 -1.88 115.95 119.16 2i4m h TRP 80 Ca 0.09 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 2i4m h TRP 80 Cb 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 2i4m h TRP 80 CO 0.01 0.28 0.08 0.00 -3.56 0.00 0.00 178.44 175.25 2i4m h ARG 81 N 0.00 0.38 -0.39 0.49 3.08 -0.76 -2.36 114.38 114.82 2i4m h ARG 81 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2i4m h ARG 81 Cb 0.64 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2i4m h ARG 81 CO 0.04 0.34 0.20 0.93 -1.07 0.00 0.00 179.97 180.41 2i4m h GLU 82 N 0.38 0.52 -0.01 0.04 5.08 -1.06 -3.05 114.58 116.49 2i4m h GLU 82 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2i4m h GLU 82 Cb 0.12 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2i4m h GLU 82 CO -0.01 0.40 -0.50 -1.13 -1.00 0.00 0.00 179.01 176.77 2i4m n SER 83 N -4.43 1.31 0.00 1.42 3.41 -1.20 -4.63 113.62 109.50 2i4m n SER 83 Ca 0.03 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 2i4m n SER 83 Cb 0.10 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2i4m n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i4m n GLY 84 N 1.25 3.10 0.08 5.00 0.00 -1.02 -4.94 105.19 108.66 2i4m n GLY 84 Ca 0.05 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.16 2i4m n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4m n ARG 85 N 0.00 0.05 -0.26 1.61 1.74 -0.96 -3.44 116.66 115.40 2i4m n ARG 85 Ca 0.00 0.45 0.07 0.00 -0.77 0.00 0.00 57.85 57.60 2i4m n ARG 85 Cb 0.00 -1.89 0.21 0.00 -1.02 0.00 0.00 32.46 29.76 2i4m n ARG 85 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2i4m h TYR 86 N 0.00 0.40 -0.69 -1.55 3.20 -1.79 -0.26 116.97 116.28 2i4m h TYR 86 Ca 0.00 0.04 -0.29 0.00 3.14 0.00 0.00 58.73 61.62 2i4m h TYR 86 Cb 0.46 -0.06 -0.17 0.00 1.54 0.00 0.00 36.73 38.50 2i4m h TYR 86 CO 0.00 -0.04 0.29 -0.25 -1.64 0.00 0.00 178.16 176.52 2i4m n ASP 87 N -5.10 3.81 -1.42 -2.11 10.43 -1.22 -4.35 116.55 116.59 2i4m n ASP 87 Ca 0.16 -3.47 0.03 0.00 2.57 0.00 0.00 54.79 54.08 2i4m n ASP 87 Cb 0.49 -0.73 0.02 0.00 1.84 0.00 0.00 41.12 42.73 2i4m n ASP 87 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2i4m n ALA 88 N -0.76 2.39 0.37 2.24 0.00 -0.11 -4.43 120.51 120.21 2i4m n ALA 88 Ca 0.44 -2.20 0.05 0.00 0.00 0.00 0.00 53.44 51.73 2i4m n ALA 88 Cb 1.36 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 2i4m n ALA 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i4m n TYR 89 N 0.45 0.00 -4.99 0.00 4.02 -1.22 -4.92 117.16 110.50 2i4m n TYR 89 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2i4m n TYR 89 Cb 1.11 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 2i4m n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2i4m n GLY 90 N 1.43 2.03 0.00 2.72 0.00 -1.26 -3.37 105.19 106.73 2i4m n GLY 90 Ca 0.01 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.67 2i4m n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i4m n PRO 91 N 7.08 0.16 0.00 1.61 -0.05 -1.26 -2.52 135.00 140.02 2i4m n PRO 91 Ca 0.00 0.07 0.06 0.00 -0.05 0.00 0.00 63.50 63.58 2i4m n PRO 91 Cb 0.00 -1.50 0.36 0.00 -0.05 0.00 0.00 33.50 32.31 2i4m n PRO 91 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 2i4m n GLU 92 N -1.40 0.99 -3.57 0.54 0.00 -1.22 -4.67 120.64 111.31 2i4m n GLU 92 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.85 2i4m n GLU 92 Cb 0.25 -1.19 -0.11 0.00 0.00 0.00 0.00 31.44 30.39 2i4m n GLU 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2i4m s MET 93 N -2.00 3.50 -0.24 3.44 1.75 -1.05 0.45 119.30 125.16 2i4m s MET 93 Ca 0.18 -0.63 -0.29 0.00 -1.25 0.00 0.00 55.69 53.70 2i4m s MET 93 Cb 0.08 -3.72 -0.02 0.00 2.84 0.00 0.00 34.83 34.01 2i4m s MET 93 CO 0.14 -0.41 1.50 -1.17 -0.65 0.00 0.00 175.02 174.43 2i4m s LEU 94 N 1.70 3.91 -0.11 4.11 2.96 -1.26 -4.93 118.68 125.05 2i4m s LEU 94 Ca 0.06 1.50 -0.08 0.00 -0.22 0.00 0.00 54.13 55.39 2i4m s LEU 94 Cb -0.17 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2i4m s LEU 94 CO 0.09 -1.17 0.17 -0.13 -1.32 0.00 0.00 176.35 174.00 2i4m s ARG 95 N 4.44 3.56 0.04 1.98 0.52 -1.26 -1.87 118.95 126.36 2i4m s ARG 95 Ca 0.66 -0.07 0.05 0.00 -0.52 0.00 0.00 55.73 55.85 2i4m s ARG 95 Cb -0.22 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 2i4m s ARG 95 CO 0.27 0.73 -0.15 0.42 0.02 0.00 0.00 175.30 176.58 2i4m s ILE 96 N -0.91 1.22 -0.14 1.52 1.01 0.12 -4.96 121.20 119.05 2i4m s ILE 96 Ca 0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2i4m s ILE 96 Cb -0.12 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 2i4m s ILE 96 CO 0.05 0.07 -0.12 0.00 0.00 0.00 0.00 174.94 174.94 2i4m s ALA 97 N -0.79 2.64 0.90 9.38 0.00 -1.26 -0.21 121.76 132.41 2i4m s ALA 97 Ca 0.03 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 2i4m s ALA 97 Cb -0.08 -1.27 0.17 0.00 0.00 0.00 0.00 23.12 21.94 2i4m s ALA 97 CO 0.01 0.16 1.24 0.16 0.00 0.00 0.00 175.76 177.33 2i4m s ASP 98 N 0.50 3.50 0.59 0.00 1.47 -0.80 -4.84 116.67 117.09 2i4m s ASP 98 Ca -0.08 0.17 0.39 0.00 1.18 0.00 0.00 52.55 54.20 2i4m s ASP 98 Cb -0.16 -0.32 2.12 0.00 -0.34 0.00 0.00 42.92 44.22 2i4m s ASP 98 CO 0.04 -2.47 2.19 0.08 0.68 0.00 0.00 175.17 175.69 2i4m h ARG 99 N -1.35 0.00 -0.59 2.11 0.11 -2.00 0.12 114.38 112.78 2i4m h ARG 99 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2i4m h ARG 99 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2i4m h ARG 99 CO 0.41 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.20 2i4m n HIS 100 N -2.88 1.72 -2.36 4.08 8.25 -1.26 -4.92 115.22 117.84 2i4m n HIS 100 Ca -0.03 -0.68 -0.15 0.00 -0.26 0.00 0.00 57.72 56.61 2i4m n HIS 100 Cb 0.08 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 30.82 2i4m n HIS 100 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2i4m n LYS 101 N 0.78 -1.54 -3.56 -0.41 5.02 0.41 -4.98 118.16 113.88 2i4m n LYS 101 Ca 0.26 0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 56.88 2i4m n LYS 101 Cb 1.03 -4.99 -0.07 0.00 -0.02 0.00 0.00 35.03 30.98 2i4m n LYS 101 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2i4m s ARG 102 N -4.83 4.12 -0.50 1.97 0.52 -1.25 -4.77 118.95 114.21 2i4m s ARG 102 Ca 0.04 0.13 -0.28 0.00 -0.52 0.00 0.00 55.73 55.09 2i4m s ARG 102 Cb -0.02 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2i4m s ARG 102 CO 0.04 0.37 1.68 -1.21 0.02 0.00 0.00 175.30 176.20 2i4m s GLU 103 N 0.07 3.10 0.32 3.54 2.02 -1.26 -1.91 118.70 124.58 2i4m s GLU 103 Ca 0.18 0.83 0.09 0.00 0.02 0.00 0.00 54.97 56.08 2i4m s GLU 103 Cb -0.13 -4.23 -0.05 0.00 0.10 0.00 0.00 34.13 29.82 2i4m s GLU 103 CO 0.05 -2.15 0.05 -0.51 0.02 0.00 0.00 175.26 172.72 2i4m s LEU 104 N 7.27 3.13 0.05 1.80 1.43 0.71 -2.06 118.68 131.02 2i4m s LEU 104 Ca 0.66 -0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2i4m s LEU 104 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2i4m s LEU 104 CO 0.27 -0.18 -0.04 -1.48 0.23 0.00 0.00 176.35 175.14 2i4m s LEU 105 N -3.74 2.44 -0.33 1.79 2.34 0.03 0.11 118.68 121.32 2i4m s LEU 105 Ca 0.35 -0.90 -0.24 0.00 0.06 0.00 0.00 54.13 53.40 2i4m s LEU 105 Cb -0.03 0.11 0.00 0.00 -0.56 0.00 0.00 46.19 45.72 2i4m s LEU 105 CO 0.21 -0.51 0.80 -0.47 -1.06 0.00 0.00 176.35 175.32 2i4m s TYR 106 N -3.35 3.16 0.07 3.48 5.04 -0.78 -0.83 117.35 124.13 2i4m s TYR 106 Ca 0.03 0.73 -0.30 0.00 -2.44 0.00 0.00 57.07 55.09 2i4m s TYR 106 Cb 0.04 -3.33 -0.09 0.00 0.35 0.00 0.00 41.96 38.93 2i4m s TYR 106 CO -0.07 -0.65 1.88 0.20 -1.34 0.00 0.00 175.55 175.57 2i4m s GLY 107 N 1.72 1.42 0.08 8.97 0.00 -0.45 -4.53 107.32 114.53 2i4m s GLY 107 Ca 0.33 1.35 0.26 0.00 0.00 0.00 0.00 44.72 46.66 2i4m s GLY 107 CO 0.15 3.28 1.65 -1.55 0.00 0.00 0.00 173.10 176.63 2i4m n PRO 108 N 6.65 0.13 -3.93 2.90 -0.04 -1.25 -2.63 135.00 136.83 2i4m n PRO 108 Ca 0.19 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2i4m n PRO 108 Cb 0.40 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 2i4m n PRO 108 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2i4m s THR 109 N -3.06 0.00 0.00 0.52 -1.32 -1.26 -4.76 115.64 105.76 2i4m s THR 109 Ca 0.11 -0.14 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 2i4m s THR 109 Cb 0.16 -2.80 0.10 0.00 -1.51 0.00 0.00 72.50 68.44 2i4m s THR 109 CO 0.62 0.00 1.01 0.59 -2.21 0.00 0.00 174.62 174.64 2i4m n ASN 110 N -0.96 0.21 0.03 8.08 4.13 -1.26 -4.92 115.26 120.57 2i4m n ASN 110 Ca 0.02 -1.95 -0.11 0.00 1.68 0.00 0.00 54.58 54.22 2i4m n ASN 110 Cb 0.59 -0.20 -0.05 0.00 -1.54 0.00 0.00 39.78 38.58 2i4m n ASN 110 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2i4m h GLU 111 N 0.22 -0.41 -0.55 3.52 3.07 -1.99 -1.77 114.58 116.67 2i4m h GLU 111 Ca -0.06 0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 2i4m h GLU 111 Cb 1.49 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.48 2i4m h GLU 111 CO 0.02 -0.28 -0.05 0.93 -1.40 0.00 0.00 179.01 178.23 2i4m h GLU 112 N -0.43 0.98 -0.24 2.33 3.07 -1.95 -2.09 114.58 116.25 2i4m h GLU 112 Ca 0.08 -0.33 -0.04 0.00 -0.50 0.00 0.00 59.36 58.57 2i4m h GLU 112 Cb 0.55 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2i4m h GLU 112 CO -0.32 1.00 -0.02 1.98 -1.40 0.00 0.00 179.01 180.26 2i4m h MET 113 N 0.89 0.43 -0.42 2.33 4.05 -1.90 1.00 114.93 121.30 2i4m h MET 113 Ca 0.15 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2i4m h MET 113 Cb 0.59 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 2i4m h MET 113 CO 0.04 0.62 0.24 0.97 0.23 0.00 0.00 176.91 179.01 2i4m h ILE 114 N 0.19 1.12 -0.26 1.77 6.09 -1.29 -1.01 117.51 124.12 2i4m h ILE 114 Ca 0.07 -0.29 -0.18 0.00 -1.37 0.00 0.00 64.86 63.09 2i4m h ILE 114 Cb 0.44 0.55 -0.00 0.00 0.47 0.00 0.00 36.82 38.27 2i4m h ILE 114 CO 0.02 0.13 -0.54 0.74 -3.07 0.00 0.00 178.15 175.43 2i4m h THR 115 N 0.57 1.29 -0.89 2.19 2.02 -0.92 -1.65 112.91 115.52 2i4m h THR 115 Ca 0.15 -1.74 0.08 0.00 0.77 0.00 0.00 66.41 65.67 2i4m h THR 115 Cb -0.01 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 2i4m h THR 115 CO -0.03 0.56 0.55 -0.08 0.37 0.00 0.00 175.52 176.89 2i4m h GLU 116 N 0.60 0.93 -0.14 6.66 4.22 0.36 -1.02 114.58 126.20 2i4m h GLU 116 Ca 0.01 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.34 2i4m h GLU 116 Cb 1.13 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2i4m h GLU 116 CO 0.12 0.62 -0.12 0.82 -2.18 0.00 0.00 179.01 178.26 2i4m h ILE 117 N 0.96 1.34 -0.69 2.32 2.04 -1.03 -3.17 117.51 119.28 2i4m h ILE 117 Ca 0.41 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2i4m h ILE 117 Cb 0.27 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2i4m h ILE 117 CO -0.21 0.37 0.40 0.15 0.00 0.00 0.00 178.15 178.86 2i4m h PHE 118 N -0.03 0.93 0.00 1.37 3.57 -0.59 -2.69 116.94 119.50 2i4m h PHE 118 Ca 0.03 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2i4m h PHE 118 Cb 0.64 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2i4m h PHE 118 CO 0.08 0.65 -0.45 0.07 -2.23 0.00 0.00 178.31 176.43 2i4m h ARG 119 N 0.95 0.00 0.00 1.11 0.11 -1.25 0.12 114.38 115.42 2i4m h ARG 119 Ca 0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.30 2i4m h ARG 119 Cb 0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2i4m h ARG 119 CO -0.04 0.45 -0.10 0.00 0.10 0.00 0.00 179.97 180.37 2i4m h ALA 120 N 1.55 1.81 0.00 0.08 0.00 -1.45 -3.37 119.26 117.89 2i4m h ALA 120 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2i4m h ALA 120 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2i4m h ALA 120 CO 0.06 0.13 -0.62 0.66 0.00 0.00 0.00 179.25 179.47 2i4m n TYR 121 N -4.39 0.00 -4.03 0.00 4.01 -0.93 -5.04 117.16 106.78 2i4m n TYR 121 Ca -0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.36 2i4m n TYR 121 Cb 0.18 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.08 2i4m n TYR 121 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2i4m s ILE 122 N -1.43 3.85 0.00 -0.72 -1.09 0.39 -4.92 121.20 117.28 2i4m s ILE 122 Ca 0.00 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2i4m s ILE 122 Cb 0.00 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 2i4m s ILE 122 CO 0.00 0.42 0.04 0.29 -1.23 0.00 0.00 174.94 174.47 2i4m n LYS 123 N 4.39 2.45 -5.25 2.79 4.76 -1.26 -4.70 118.16 121.35 2i4m n LYS 123 Ca -0.17 -0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 54.91 2i4m n LYS 123 Cb 0.52 -0.32 -0.16 0.00 -1.84 0.00 0.00 35.03 33.23 2i4m n LYS 123 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2i4m s SER 124 N -0.36 3.20 0.55 4.39 0.15 -1.26 0.07 113.70 120.43 2i4m s SER 124 Ca 0.00 -0.43 0.24 0.00 0.70 0.00 0.00 55.95 56.46 2i4m s SER 124 Cb 0.00 -0.43 1.48 0.00 -1.71 0.00 0.00 66.02 65.36 2i4m s SER 124 CO 0.00 0.32 2.09 0.10 1.20 0.00 0.00 173.24 176.95 2i4m h TYR 125 N 5.48 0.00 0.00 3.44 -0.00 -1.62 -0.23 116.97 124.04 2i4m h TYR 125 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 2i4m h TYR 125 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.86 2i4m h TYR 125 CO 0.41 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.44 2i4m h LYS 126 N 0.00 0.00 0.00 0.10 1.57 -1.95 -1.88 116.57 114.42 2i4m h LYS 126 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2i4m h LYS 126 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2i4m h LYS 126 CO -0.00 0.00 -0.30 0.77 -0.57 0.00 0.00 179.45 179.35 2i4m h SER 127 N 0.00 0.00 -2.12 0.86 0.02 -1.45 -3.46 113.55 107.39 2i4m h SER 127 Ca 0.00 -0.04 -0.47 0.00 -0.84 0.00 0.00 61.79 60.44 2i4m h SER 127 Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2i4m h SER 127 CO 0.00 0.02 -0.44 -0.76 -1.14 0.00 0.00 176.83 174.51 2i4m s LEU 128 N -5.25 4.13 0.38 5.07 1.43 -0.71 -4.29 118.68 119.45 2i4m s LEU 128 Ca 0.06 -0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 52.83 2i4m s LEU 128 Cb 0.09 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 2i4m s LEU 128 CO 0.68 -0.12 1.36 -2.16 0.23 0.00 0.00 176.35 176.34 2i4m s PRO 129 N -3.98 4.10 -0.07 1.29 0.04 -1.26 -5.01 135.00 130.11 2i4m s PRO 129 Ca 0.36 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.72 2i4m s PRO 129 Cb -0.09 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.57 2i4m s PRO 129 CO 0.28 -0.44 -0.07 -1.17 0.04 0.00 0.00 177.00 175.64 2i4m s LEU 130 N -2.17 1.33 -0.25 -3.56 2.96 -0.72 -4.99 118.68 111.28 2i4m s LEU 130 Ca 0.54 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2i4m s LEU 130 Cb -0.41 -0.64 0.05 0.00 0.50 0.00 0.00 46.19 45.69 2i4m s LEU 130 CO 0.55 -0.05 -0.11 0.21 -1.32 0.00 0.00 176.35 175.62 2i4m s ASN 131 N 1.08 4.24 0.01 3.68 3.84 -1.26 0.86 114.94 127.39 2i4m s ASN 131 Ca -0.08 -1.22 0.02 0.00 0.21 0.00 0.00 52.86 51.79 2i4m s ASN 131 Cb -0.14 -1.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.96 2i4m s ASN 131 CO -0.01 -0.16 0.01 -0.76 -2.79 0.00 0.00 177.10 173.39 2i4m s LEU 132 N 1.16 3.53 0.11 3.21 1.43 -0.82 -0.36 118.68 126.94 2i4m s LEU 132 Ca -0.06 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 2i4m s LEU 132 Cb -0.19 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.00 2i4m s LEU 132 CO -0.06 0.26 0.43 -0.72 0.23 0.00 0.00 176.35 176.49 2i4m s TYR 133 N -1.13 -0.26 0.13 0.29 -0.85 -0.88 0.55 117.35 115.20 2i4m s TYR 133 Ca 0.21 0.04 -0.06 0.00 -0.52 0.00 0.00 57.07 56.73 2i4m s TYR 133 Cb -0.12 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 2i4m s TYR 133 CO 0.12 -0.68 0.19 -3.38 -1.52 0.00 0.00 175.55 170.27 2i4m s HIS 134 N -3.43 0.46 -0.29 -3.49 -3.43 -1.00 0.03 115.29 104.14 2i4m s HIS 134 Ca 0.00 -0.85 0.00 0.00 -0.80 0.00 0.00 55.06 53.41 2i4m s HIS 134 Cb 0.01 -0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.03 2i4m s HIS 134 CO -0.09 -0.61 -0.04 0.42 -2.00 0.00 0.00 174.74 172.42 2i4m s ILE 135 N -3.96 2.68 -0.01 -5.38 1.01 -1.26 -2.08 121.20 112.20 2i4m s ILE 135 Ca 0.15 -1.50 -0.10 0.00 0.00 0.00 0.00 60.65 59.21 2i4m s ILE 135 Cb 0.05 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.97 2i4m s ILE 135 CO -0.03 -0.09 0.20 -1.58 0.00 0.00 0.00 174.94 173.44 2i4m s GLN 136 N 1.19 0.52 0.31 2.79 2.00 -0.81 -4.98 119.66 120.69 2i4m s GLN 136 Ca -0.06 -0.28 -0.29 0.00 -2.00 0.00 0.00 55.36 52.72 2i4m s GLN 136 Cb -0.20 0.22 -0.10 0.00 0.80 0.00 0.00 33.01 33.73 2i4m s GLN 136 CO -0.03 -0.13 1.28 -1.58 -0.50 0.00 0.00 175.29 174.34 2i4m s TRP 137 N -1.25 3.14 0.16 1.67 0.52 -1.26 -2.66 118.94 119.25 2i4m s TRP 137 Ca -0.13 1.43 0.05 0.00 0.02 0.00 0.00 56.10 57.47 2i4m s TRP 137 Cb -0.06 -3.62 -0.04 0.00 -1.15 0.00 0.00 33.47 28.59 2i4m s TRP 137 CO 0.02 -1.69 -0.10 0.15 0.02 0.00 0.00 176.95 175.35 2i4m s LYS 138 N -1.58 1.10 -0.09 4.98 1.02 0.21 -4.82 119.74 120.56 2i4m s LYS 138 Ca 0.49 -1.48 0.01 0.00 0.02 0.00 0.00 55.97 55.01 2i4m s LYS 138 Cb -0.38 -0.69 0.02 0.00 -0.52 0.00 0.00 37.83 36.26 2i4m s LYS 138 CO 0.50 0.08 -0.10 0.12 -0.92 0.00 0.00 175.35 175.03 2i4m s PHE 139 N -3.29 1.50 -0.15 3.18 5.36 -1.08 -0.88 117.98 122.62 2i4m s PHE 139 Ca 0.18 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.49 2i4m s PHE 139 Cb 0.02 -1.17 0.02 0.00 -0.34 0.00 0.00 43.02 41.55 2i4m s PHE 139 CO 0.02 -0.41 -0.17 1.03 -1.46 0.00 0.00 175.22 174.22 2i4m s ARG 140 N 1.20 2.63 -0.98 10.12 0.52 -0.74 -3.75 118.95 127.95 2i4m s ARG 140 Ca -0.04 -0.69 -0.21 0.00 -0.52 0.00 0.00 55.73 54.26 2i4m s ARG 140 Cb -0.14 -2.28 -0.11 0.00 0.52 0.00 0.00 34.95 32.94 2i4m s ARG 140 CO -0.03 -0.17 1.94 -3.47 0.02 0.00 0.00 175.30 173.59 2i4m n ASP 141 N 4.53 2.94 -4.70 0.23 -0.08 0.17 -4.34 116.55 115.31 2i4m n ASP 141 Ca -0.19 -2.71 -0.42 0.00 -1.51 0.00 0.00 54.79 49.96 2i4m n ASP 141 Cb 0.50 -1.39 -0.03 0.00 2.34 0.00 0.00 41.12 42.55 2i4m n ASP 141 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2i4m s GLU 142 N 5.28 4.16 0.18 -0.67 2.56 -1.26 -4.12 118.70 124.83 2i4m s GLU 142 Ca 0.60 2.50 -0.13 0.00 0.00 0.00 0.00 54.97 57.94 2i4m s GLU 142 Cb 0.09 -3.43 0.14 0.00 2.00 0.00 0.00 34.13 32.93 2i4m s GLU 142 CO 0.11 -0.76 1.78 0.37 -0.56 0.00 0.00 175.26 176.19 2i4m h GLN 143 N 7.92 0.45 -2.79 4.30 4.15 -1.95 -3.33 115.11 123.85 2i4m h GLN 143 Ca -0.44 -0.03 -0.61 0.00 0.77 0.00 0.00 58.65 58.35 2i4m h GLN 143 Cb 1.21 -0.10 -0.40 0.00 0.21 0.00 0.00 27.48 28.40 2i4m h GLN 143 CO 0.94 0.29 -0.77 1.03 -1.93 0.00 0.00 178.83 178.40 2i4m s ARG 144 N -6.13 1.54 0.29 1.69 0.52 -1.26 -5.10 118.95 110.50 2i4m s ARG 144 Ca -0.13 -2.49 -0.30 0.00 -0.52 0.00 0.00 55.73 52.29 2i4m s ARG 144 Cb 0.14 -2.36 -0.13 0.00 0.52 0.00 0.00 34.95 33.12 2i4m s ARG 144 CO 0.73 -1.29 1.37 -2.30 0.02 0.00 0.00 175.30 173.83 2i4m n PRO 145 N 2.76 2.14 -3.62 3.54 -0.02 -1.25 -4.96 135.00 133.59 2i4m n PRO 145 Ca 0.20 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.34 2i4m n PRO 145 Cb 0.39 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 2i4m n PRO 145 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2i4m s ARG 146 N -1.13 1.45 -1.33 -0.52 3.52 -0.65 -4.82 118.95 115.48 2i4m s ARG 146 Ca 0.62 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 2i4m s ARG 146 Cb -0.60 0.58 0.01 0.00 -1.56 0.00 0.00 34.95 33.38 2i4m s ARG 146 CO 0.56 -0.64 0.72 1.19 -0.81 0.00 0.00 175.30 176.31 2i4m n PHE 147 N -0.39 -1.94 0.00 5.12 3.72 -1.26 -2.29 117.46 120.41 2i4m n PHE 147 Ca -0.12 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 2i4m n PHE 147 Cb 0.63 -4.35 0.00 0.00 -0.94 0.00 0.00 39.48 34.82 2i4m n PHE 147 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2i4m n GLY 148 N -1.60 2.98 0.00 1.37 0.00 -1.26 -1.16 105.19 105.53 2i4m n GLY 148 Ca -0.27 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2i4m n GLY 148 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i4m n VAL 149 N 0.00 0.39 0.14 1.61 0.24 -1.26 -3.63 118.33 115.82 2i4m n VAL 149 Ca 0.00 0.10 0.03 0.00 -2.04 0.00 0.00 64.34 62.43 2i4m n VAL 149 Cb 0.00 -0.71 0.04 0.00 -1.47 0.00 0.00 33.84 31.70 2i4m n VAL 149 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2i4m h MET 150 N 0.00 0.00 -0.73 7.34 2.07 -1.33 -3.38 114.93 118.89 2i4m h MET 150 Ca 0.00 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.31 2i4m h MET 150 Cb 0.34 0.00 -0.33 0.00 -1.87 0.00 0.00 31.60 29.74 2i4m h MET 150 CO 0.00 0.48 -0.96 -2.13 1.07 0.00 0.00 176.91 175.37 2i4m n ARG 151 N -3.23 1.15 0.00 1.72 0.63 -0.97 -5.01 116.66 110.95 2i4m n ARG 151 Ca 0.02 -2.85 0.00 0.00 -0.92 0.00 0.00 57.85 54.10 2i4m n ARG 151 Cb 0.72 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.72 2i4m n ARG 151 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i4m n GLY 152 N -0.20 0.86 1.02 5.14 0.00 -1.24 -1.63 105.19 109.14 2i4m n GLY 152 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2i4m n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4m n ARG 153 N 0.00 0.00 -2.85 1.61 1.74 0.24 -4.58 116.66 112.81 2i4m n ARG 153 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2i4m n ARG 153 Cb 0.00 -0.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.91 2i4m n ARG 153 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2i4m s GLU 154 N -2.00 3.12 0.34 5.56 2.12 -1.08 -1.79 118.70 124.97 2i4m s GLU 154 Ca 0.00 -0.85 0.08 0.00 0.36 0.00 0.00 54.97 54.56 2i4m s GLU 154 Cb 0.00 -4.25 -0.07 0.00 0.26 0.00 0.00 34.13 30.07 2i4m s GLU 154 CO 0.00 -1.82 -0.06 -0.59 -0.54 0.00 0.00 175.26 172.25 2i4m s PHE 155 N 4.06 2.28 -0.17 5.30 -0.12 -0.06 -4.71 117.98 124.56 2i4m s PHE 155 Ca 0.23 -0.61 -0.03 0.00 -0.05 0.00 0.00 56.93 56.46 2i4m s PHE 155 Cb -0.16 -1.38 -0.02 0.00 -0.63 0.00 0.00 43.02 40.82 2i4m s PHE 155 CO 0.10 0.45 -0.05 -1.17 -0.05 0.00 0.00 175.22 174.49 2i4m s LEU 156 N -3.58 3.07 0.05 -1.99 2.96 -1.26 0.64 118.68 118.57 2i4m s LEU 156 Ca 0.32 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 2i4m s LEU 156 Cb 0.05 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 2i4m s LEU 156 CO 0.16 0.11 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.83 2i4m s MET 157 N 0.73 0.89 -0.34 1.98 -2.45 -1.09 -0.76 119.30 118.26 2i4m s MET 157 Ca -0.02 -0.83 -0.16 0.00 -1.25 0.00 0.00 55.69 53.43 2i4m s MET 157 Cb -0.15 -0.90 -0.01 0.00 1.25 0.00 0.00 34.83 35.02 2i4m s MET 157 CO 0.02 0.21 0.40 0.21 1.05 0.00 0.00 175.02 176.91 2i4m s LYS 158 N -1.36 3.61 -0.14 4.11 2.36 -0.76 -1.92 119.74 125.65 2i4m s LYS 158 Ca 0.00 -0.33 0.03 0.00 -2.55 0.00 0.00 55.97 53.12 2i4m s LYS 158 Cb -0.09 -3.79 0.01 0.00 -1.05 0.00 0.00 37.83 32.91 2i4m s LYS 158 CO 0.02 -0.53 -0.22 0.16 1.55 0.00 0.00 175.35 176.33 2i4m s ASP 159 N 1.73 3.14 0.17 1.43 -4.77 -0.88 -1.02 116.67 116.47 2i4m s ASP 159 Ca 0.14 -0.59 0.11 0.00 -3.30 0.00 0.00 52.55 48.90 2i4m s ASP 159 Cb -0.16 -1.45 -0.04 0.00 -1.09 0.00 0.00 42.92 40.18 2i4m s ASP 159 CO 0.12 0.09 -0.23 0.00 0.70 0.00 0.00 175.17 175.85 2i4m s ALA 160 N 0.75 2.37 -0.12 2.11 0.00 0.16 -2.37 121.76 124.66 2i4m s ALA 160 Ca -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.27 2i4m s ALA 160 Cb -0.16 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.72 2i4m s ALA 160 CO -0.00 0.40 0.13 0.71 0.00 0.00 0.00 175.76 176.99 2i4m s TYR 161 N -1.64 -0.04 0.32 0.00 2.02 0.19 -0.17 117.35 118.03 2i4m s TYR 161 Ca 0.18 0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 57.01 2i4m s TYR 161 Cb -0.08 -0.45 -0.06 0.00 -0.40 0.00 0.00 41.96 40.97 2i4m s TYR 161 CO 0.08 -0.38 0.62 -1.54 -1.57 0.00 0.00 175.55 172.76 2i4m s SER 162 N 2.23 6.48 -0.07 2.29 1.04 0.00 -1.95 113.70 123.72 2i4m s SER 162 Ca 0.04 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 2i4m s SER 162 Cb -0.14 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.81 2i4m s SER 162 CO -0.07 -0.24 -0.00 -0.36 0.98 0.00 0.00 173.24 173.54 2i4m s PHE 163 N -2.14 0.73 0.22 5.02 0.08 0.25 -3.13 117.98 119.02 2i4m s PHE 163 Ca 0.46 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.31 2i4m s PHE 163 Cb -0.11 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 2i4m s PHE 163 CO 0.29 -0.34 0.08 -0.51 -0.10 0.00 0.00 175.22 174.64 2i4m s ASP 164 N 1.95 1.00 -0.01 1.36 1.01 -0.69 -1.76 116.67 119.53 2i4m s ASP 164 Ca 0.05 -1.33 -0.20 0.00 0.71 0.00 0.00 52.55 51.78 2i4m s ASP 164 Cb -0.12 0.19 -0.27 0.00 1.01 0.00 0.00 42.92 43.73 2i4m s ASP 164 CO -0.05 -0.71 1.03 0.58 0.21 0.00 0.00 175.17 176.23 2i4m h VAL 165 N 2.51 1.44 -4.11 -1.27 2.07 -1.91 0.23 116.25 115.20 2i4m h VAL 165 Ca -0.37 -2.28 -0.49 0.00 0.82 0.00 0.00 66.70 64.38 2i4m h VAL 165 Cb 1.24 2.81 -0.13 0.00 -1.52 0.00 0.00 31.29 33.68 2i4m h VAL 165 CO 0.60 0.66 -0.50 1.51 0.02 0.00 0.00 177.57 179.86 2i4m s ASP 166 N -6.92 1.98 0.17 0.57 1.47 -1.26 -4.50 116.67 108.18 2i4m s ASP 166 Ca -0.13 -1.71 -0.14 0.00 1.18 0.00 0.00 52.55 51.75 2i4m s ASP 166 Cb 0.03 0.54 0.11 0.00 -0.34 0.00 0.00 42.92 43.26 2i4m s ASP 166 CO 0.84 -1.01 1.78 -0.08 0.68 0.00 0.00 175.17 177.38 2i4m h GLU 167 N 2.04 0.42 -0.57 2.11 4.81 -1.95 -2.64 114.58 118.80 2i4m h GLU 167 Ca -0.29 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.03 2i4m h GLU 167 Cb 1.25 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.44 2i4m h GLU 167 CO 0.44 0.28 0.02 0.00 -0.73 0.00 0.00 179.01 179.02 2i4m h ALA 168 N 1.26 0.57 -0.24 2.92 0.00 -2.00 0.47 119.26 122.24 2i4m h ALA 168 Ca 0.20 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.33 2i4m h ALA 168 Cb 0.13 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2i4m h ALA 168 CO -0.15 -0.38 -0.08 0.78 0.00 0.00 0.00 179.25 179.42 2i4m h GLY 169 N 0.13 0.14 0.53 0.00 0.00 -1.93 -2.25 103.07 99.70 2i4m h GLY 169 Ca 0.29 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.80 2i4m h GLY 169 CO -0.47 -0.11 0.21 0.00 0.00 0.00 0.00 176.54 176.17 2i4m h ALA 170 N 1.20 0.67 -0.54 3.60 0.00 -0.68 -1.08 119.26 122.42 2i4m h ALA 170 Ca 0.12 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.19 2i4m h ALA 170 Cb 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2i4m h ALA 170 CO -0.26 -0.18 0.09 0.00 0.00 0.00 0.00 179.25 178.89 2i4m h ARG 171 N 0.40 0.21 -0.60 0.00 3.08 -0.60 0.36 114.38 117.22 2i4m h ARG 171 Ca 0.26 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.33 2i4m h ARG 171 Cb 0.27 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2i4m h ARG 171 CO -0.24 0.14 0.35 0.87 -1.07 0.00 0.00 179.97 180.01 2i4m h LYS 172 N 0.22 0.65 -0.48 0.04 1.57 -0.78 0.16 116.57 117.95 2i4m h LYS 172 Ca 0.28 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2i4m h LYS 172 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2i4m h LYS 172 CO -0.38 0.43 0.24 0.77 -0.57 0.00 0.00 179.45 179.94 2i4m h SER 173 N 0.67 0.62 -0.51 0.86 0.02 -0.18 -1.82 113.55 113.21 2i4m h SER 173 Ca 0.26 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2i4m h SER 173 Cb 0.09 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2i4m h SER 173 CO -0.14 0.57 0.29 0.22 -1.14 0.00 0.00 176.83 176.63 2i4m h TYR 174 N 0.63 0.69 -0.92 3.45 3.20 -0.05 -2.53 116.97 121.44 2i4m h TYR 174 Ca 0.17 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2i4m h TYR 174 Cb 0.11 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 2i4m h TYR 174 CO -0.01 0.50 0.55 -0.91 -1.64 0.00 0.00 178.16 176.65 2i4m h ASN 175 N 0.68 1.12 -0.34 -2.11 2.35 -0.70 0.19 115.58 116.76 2i4m h ASN 175 Ca 0.18 -0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 2i4m h ASN 175 Cb 0.03 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 2i4m h ASN 175 CO -0.03 0.86 0.02 0.11 -1.65 0.00 0.00 177.43 176.75 2i4m h LYS 176 N 1.27 0.12 -0.54 0.81 1.57 -1.12 0.36 116.57 119.05 2i4m h LYS 176 Ca 0.33 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 2i4m h LYS 176 Cb -0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2i4m h LYS 176 CO -0.06 0.08 -0.11 0.52 -0.57 0.00 0.00 179.45 179.31 2i4m h MET 177 N 0.13 1.04 -0.08 3.15 2.86 -0.98 -0.29 114.93 120.75 2i4m h MET 177 Ca 0.16 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2i4m h MET 177 Cb 0.21 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 2i4m h MET 177 CO -0.25 1.08 -0.32 0.35 1.06 0.00 0.00 176.91 178.82 2i4m h PHE 178 N 0.92 -0.89 -0.69 -0.22 -0.00 -0.20 0.00 116.94 115.87 2i4m h PHE 178 Ca 0.14 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 58.11 2i4m h PHE 178 Cb 0.68 0.40 -0.03 0.00 -0.00 0.00 0.00 35.95 37.01 2i4m h PHE 178 CO 0.05 -0.41 0.30 0.28 -0.00 0.00 0.00 178.31 178.53 2i4m h VAL 179 N -0.43 1.23 -0.28 1.41 2.07 -0.80 -1.83 116.25 117.63 2i4m h VAL 179 Ca 0.08 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2i4m h VAL 179 Cb 0.55 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2i4m h VAL 179 CO -0.32 0.28 -0.03 0.00 0.02 0.00 0.00 177.57 177.52 2i4m h ALA 180 N 1.34 1.44 -0.28 1.67 0.00 -0.67 -2.90 119.26 119.86 2i4m h ALA 180 Ca 0.23 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2i4m h ALA 180 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2i4m h ALA 180 CO -0.02 0.40 -0.21 1.88 0.00 0.00 0.00 179.25 181.29 2i4m h TYR 181 N 0.41 0.76 -0.56 0.00 -1.99 -0.19 -0.14 116.97 115.26 2i4m h TYR 181 Ca 0.09 -0.21 0.09 0.00 2.00 0.00 0.00 58.73 60.70 2i4m h TYR 181 Cb 0.32 -0.17 -0.07 0.00 2.00 0.00 0.00 36.73 38.81 2i4m h TYR 181 CO 0.01 0.92 0.15 -0.07 -0.00 0.00 0.00 178.16 179.17 2i4m h LEU 182 N 0.38 0.08 -0.07 3.88 3.38 -1.23 -2.09 115.31 119.63 2i4m h LEU 182 Ca 0.05 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2i4m h LEU 182 Cb 0.76 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2i4m h LEU 182 CO 0.06 0.06 -0.02 0.03 0.09 0.00 0.00 178.44 178.65 2i4m h ARG 183 N 0.30 0.15 -0.62 1.13 3.08 -1.38 -2.24 114.38 114.80 2i4m h ARG 183 Ca 0.28 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.38 2i4m h ARG 183 Cb 0.38 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.31 2i4m h ARG 183 CO -0.34 0.48 -0.34 1.15 -1.07 0.00 0.00 179.97 179.85 2i4m h THR 184 N -0.20 0.16 0.00 2.04 2.02 -0.66 0.19 112.91 116.46 2i4m h THR 184 Ca 0.02 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.97 2i4m h THR 184 Cb 0.43 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2i4m h THR 184 CO 0.01 0.00 -0.94 -0.26 0.37 0.00 0.00 175.52 174.70 2i4m h PHE 185 N -0.15 0.58 -0.42 3.16 0.04 -1.41 -3.03 116.94 115.71 2i4m h PHE 185 Ca 0.24 -0.32 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 2i4m h PHE 185 Cb 0.55 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 2i4m h PHE 185 CO -0.66 1.14 0.11 0.00 -0.60 0.00 0.00 178.31 178.31 2i4m h ALA 186 N 0.75 0.55 -0.11 2.45 0.00 -0.90 0.01 119.26 122.01 2i4m h ALA 186 Ca -0.08 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2i4m h ALA 186 Cb 1.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2i4m h ALA 186 CO 0.16 0.22 0.27 0.00 0.00 0.00 0.00 179.25 179.90 2i4m h ARG 187 N 0.53 0.00 -0.33 0.00 3.08 -0.56 0.66 114.38 117.76 2i4m h ARG 187 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2i4m h ARG 187 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2i4m h ARG 187 CO -0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 2i4m n MET 188 N -3.25 2.18 -1.20 0.04 2.81 -0.11 -4.66 117.12 112.92 2i4m n MET 188 Ca 0.00 -1.78 -0.04 0.00 -1.81 0.00 0.00 57.70 54.07 2i4m n MET 188 Cb 0.36 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.40 2i4m n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i4m n GLY 189 N 1.34 0.62 3.90 3.03 0.00 0.23 -4.79 105.19 109.52 2i4m n GLY 189 Ca 0.18 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 2i4m n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i4m s LEU 190 N -0.87 4.19 -0.70 0.99 1.43 -0.59 -5.01 118.68 118.12 2i4m s LEU 190 Ca 0.00 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2i4m s LEU 190 Cb 0.00 -2.77 0.18 0.00 0.03 0.00 0.00 46.19 43.62 2i4m s LEU 190 CO 0.00 0.06 0.52 -0.54 0.23 0.00 0.00 176.35 176.63 2i4m s LYS 191 N -3.16 2.69 -0.18 1.70 1.02 -1.26 -3.84 119.74 116.70 2i4m s LYS 191 Ca 0.33 -2.88 -0.18 0.00 0.02 0.00 0.00 55.97 53.26 2i4m s LYS 191 Cb -0.11 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 2i4m s LYS 191 CO 0.27 -1.21 0.49 0.00 -0.92 0.00 0.00 175.35 173.98 2i4m s ALA 192 N -0.67 3.53 -0.24 5.17 0.00 -1.26 -4.23 121.76 124.05 2i4m s ALA 192 Ca 0.21 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 2i4m s ALA 192 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2i4m s ALA 192 CO -0.07 -0.33 0.31 0.42 0.00 0.00 0.00 175.76 176.08 2i4m s ILE 193 N 1.38 5.24 -0.21 0.00 -1.09 0.38 -4.66 121.20 122.24 2i4m s ILE 193 Ca 0.24 0.47 -0.29 0.00 -2.23 0.00 0.00 60.65 58.84 2i4m s ILE 193 Cb -0.15 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 2i4m s ILE 193 CO 0.09 0.25 1.43 -2.16 -1.23 0.00 0.00 174.94 173.32 2i4m s PRO 194 N 1.52 3.99 0.08 2.79 0.04 -1.26 -0.86 135.00 141.30 2i4m s PRO 194 Ca 0.14 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.84 2i4m s PRO 194 Cb -0.15 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 2i4m s PRO 194 CO 0.08 -1.03 -0.16 -1.64 0.04 0.00 0.00 177.00 174.29 2i4m s MET 195 N 4.13 0.90 0.57 4.56 1.00 0.22 -4.90 119.30 125.80 2i4m s MET 195 Ca 0.63 -1.00 -0.20 0.00 0.00 0.00 0.00 55.69 55.12 2i4m s MET 195 Cb -0.23 -0.97 -0.04 0.00 0.00 0.00 0.00 34.83 33.59 2i4m s MET 195 CO 0.23 0.22 1.23 0.54 0.00 0.00 0.00 175.02 177.24 2i4m n ARG 196 N 1.26 1.35 -3.96 2.03 1.74 0.84 0.32 116.66 120.24 2i4m n ARG 196 Ca -0.21 0.51 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 2i4m n ARG 196 Cb 0.54 -2.43 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 2i4m n ARG 196 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i4m s ALA 197 N -1.36 -0.30 0.24 7.54 0.00 -1.04 -1.20 121.76 125.64 2i4m s ALA 197 Ca 0.75 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2i4m s ALA 197 Cb -0.42 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 2i4m s ALA 197 CO 0.47 -0.90 0.24 -1.83 0.00 0.00 0.00 175.76 173.75 2i4m s GLU 198 N -3.50 3.10 0.02 0.00 -1.05 -1.26 -4.49 118.70 111.51 2i4m s GLU 198 Ca 0.21 -0.94 0.22 0.00 -0.15 0.00 0.00 54.97 54.31 2i4m s GLU 198 Cb -0.02 -2.68 -0.19 0.00 -0.44 0.00 0.00 34.13 30.79 2i4m s GLU 198 CO 0.11 0.42 0.75 0.25 0.95 0.00 0.00 175.26 177.74 2i4m n THR 199 N -1.16 0.10 0.00 1.83 -2.24 -1.26 -4.99 114.28 106.55 2i4m n THR 199 Ca -0.08 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2i4m n THR 199 Cb 0.57 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 2i4m n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i4m n GLY 200 N 1.33 3.83 0.25 3.38 0.00 -1.26 -1.80 105.19 110.92 2i4m n GLY 200 Ca -0.01 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2i4m n GLY 200 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2i4m h PRO 201 N 0.00 0.00 -0.45 1.61 0.11 -1.96 -3.21 132.00 128.09 2i4m h PRO 201 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 2i4m h PRO 201 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2i4m h PRO 201 CO 0.00 0.13 -0.15 0.82 -0.21 0.00 0.00 178.00 178.59 2i4m h ILE 202 N 0.00 1.27 0.00 4.15 1.08 -1.77 -3.50 117.51 118.75 2i4m h ILE 202 Ca -0.00 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 2i4m h ILE 202 Cb 0.64 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2i4m h ILE 202 CO 0.02 0.44 0.00 0.61 -0.69 0.00 0.00 178.15 178.53 2i4m n GLY 203 N -0.16 1.57 0.00 5.37 0.00 -1.21 -4.93 105.19 105.83 2i4m n GLY 203 Ca -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2i4m n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4m n GLY 204 N 1.65 1.44 0.61 -0.02 0.00 -1.26 -4.43 105.19 103.18 2i4m n GLY 204 Ca 0.00 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.25 2i4m n GLY 204 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i4m n ASP 205 N -0.31 2.33 -4.12 1.61 8.00 -1.25 -4.51 116.55 118.30 2i4m n ASP 205 Ca 0.00 -1.65 -0.33 0.00 0.71 0.00 0.00 54.79 53.52 2i4m n ASP 205 Cb 0.00 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 2i4m n ASP 205 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2i4m s LEU 206 N -1.17 3.24 -0.12 0.64 0.20 -1.26 -5.07 118.68 115.16 2i4m s LEU 206 Ca 0.18 -1.16 -0.26 0.00 0.69 0.00 0.00 54.13 53.59 2i4m s LEU 206 Cb 0.12 -1.58 0.06 0.00 -0.43 0.00 0.00 46.19 44.36 2i4m s LEU 206 CO 0.18 -0.16 0.62 -0.55 -0.29 0.00 0.00 176.35 176.15 2i4m s SER 207 N 1.20 -0.60 0.06 3.68 0.15 -1.26 -1.42 113.70 115.51 2i4m s SER 207 Ca -0.04 0.85 0.03 0.00 0.70 0.00 0.00 55.95 57.48 2i4m s SER 207 Cb -0.18 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 2i4m s SER 207 CO -0.06 -0.45 -0.08 -1.00 1.20 0.00 0.00 173.24 172.85 2i4m s HIS 208 N -0.64 0.82 -0.03 3.44 3.76 -0.73 -2.49 115.29 119.42 2i4m s HIS 208 Ca -0.07 -0.61 0.07 0.00 -0.15 0.00 0.00 55.06 54.30 2i4m s HIS 208 Cb -0.02 -0.48 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 2i4m s HIS 208 CO 0.06 -0.07 -0.24 -1.21 -0.85 0.00 0.00 174.74 172.43 2i4m s GLU 209 N -2.26 2.22 -0.45 1.40 2.02 0.15 -1.04 118.70 120.74 2i4m s GLU 209 Ca -0.02 -0.88 -0.19 0.00 0.02 0.00 0.00 54.97 53.90 2i4m s GLU 209 Cb -0.06 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 32.09 2i4m s GLU 209 CO -0.01 0.56 0.54 -0.06 0.02 0.00 0.00 175.26 176.31 2i4m s PHE 210 N -0.60 3.11 -0.14 1.61 0.08 0.17 -0.61 117.98 121.61 2i4m s PHE 210 Ca 0.09 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.79 2i4m s PHE 210 Cb -0.10 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 2i4m s PHE 210 CO -0.00 -0.84 -0.20 0.42 -0.10 0.00 0.00 175.22 174.50 2i4m s ILE 211 N 2.41 2.27 -0.33 0.64 1.01 -0.04 -1.42 121.20 125.74 2i4m s ILE 211 Ca 0.15 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.67 2i4m s ILE 211 Cb -0.17 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.38 2i4m s ILE 211 CO 0.14 0.54 0.73 -0.69 0.00 0.00 0.00 174.94 175.66 2i4m s VAL 212 N 0.73 4.82 0.25 2.92 1.01 0.34 -0.47 120.40 130.00 2i4m s VAL 212 Ca -0.08 0.90 -0.31 0.00 0.00 0.00 0.00 61.98 62.49 2i4m s VAL 212 Cb -0.16 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 31.97 2i4m s VAL 212 CO 0.00 -0.30 1.47 0.18 0.00 0.00 0.00 175.10 176.45 2i4m n LEU 213 N 6.18 3.43 0.00 3.92 4.77 -1.26 0.77 117.00 134.81 2i4m n LEU 213 Ca 0.02 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 2i4m n LEU 213 Cb 0.48 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2i4m n LEU 213 CO 0.50 -0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.25 2i4m n ALA 214 N 2.09 0.00 0.00 -1.18 0.00 -0.38 -4.79 120.51 116.26 2i4m n ALA 214 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2i4m n ALA 214 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2i4m n ALA 214 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2i4m n GLU 215 N 0.00 0.00 -1.02 0.00 0.28 -1.26 -0.30 120.64 118.34 2i4m n GLU 215 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 2i4m n GLU 215 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 2i4m n GLU 215 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2i4m n THR 216 N 0.00 2.93 -4.50 3.84 -2.24 -1.26 -4.84 114.28 108.21 2i4m n THR 216 Ca 0.00 -1.96 -0.31 0.00 -2.27 0.00 0.00 64.05 59.51 2i4m n THR 216 Cb 0.00 -1.36 -0.16 0.00 -2.10 0.00 0.00 70.33 66.70 2i4m n THR 216 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2i4m s GLY 217 N 0.04 1.27 0.00 3.38 0.00 0.59 -4.97 107.32 107.62 2i4m s GLY 217 Ca 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2i4m s GLY 217 CO -0.04 0.12 0.00 1.18 0.00 0.00 0.00 173.10 174.36 2i4m n GLU 218 N 4.22 0.00 -4.61 2.90 -0.58 -1.23 -3.65 120.64 117.70 2i4m n GLU 218 Ca -0.20 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.24 2i4m n GLU 218 Cb 0.51 -1.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.22 2i4m n GLU 218 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2i4m s SER 219 N -1.56 2.74 -0.38 1.62 0.01 -0.91 -4.98 113.70 110.23 2i4m s SER 219 Ca 0.00 -0.50 -0.24 0.00 1.31 0.00 0.00 55.95 56.51 2i4m s SER 219 Cb 0.00 -1.25 0.01 0.00 0.21 0.00 0.00 66.02 64.99 2i4m s SER 219 CO 0.00 0.05 0.84 -0.83 0.41 0.00 0.00 173.24 173.71 2i4m s GLY 220 N 0.85 1.61 0.23 3.44 0.00 -1.26 -1.79 107.32 110.40 2i4m s GLY 220 Ca -0.08 -0.62 0.10 0.00 0.00 0.00 0.00 44.72 44.12 2i4m s GLY 220 CO -0.01 1.86 -0.13 -1.34 0.00 0.00 0.00 173.10 173.49 2i4m s VAL 221 N 3.28 2.91 -0.35 1.40 -7.23 0.12 0.02 120.40 120.55 2i4m s VAL 221 Ca 0.34 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2i4m s VAL 221 Cb -0.12 -2.49 0.14 0.00 0.56 0.00 0.00 36.38 34.47 2i4m s VAL 221 CO 0.19 -0.25 0.24 -0.31 -0.31 0.00 0.00 175.10 174.66 2i4m s TYR 222 N -2.05 0.49 -0.02 2.82 2.02 -0.04 -1.10 117.35 119.47 2i4m s TYR 222 Ca 0.27 -1.43 0.08 0.00 -0.37 0.00 0.00 57.07 55.62 2i4m s TYR 222 Cb -0.07 -0.80 -0.02 0.00 -0.40 0.00 0.00 41.96 40.67 2i4m s TYR 222 CO 0.15 -0.86 -0.26 0.96 -1.57 0.00 0.00 175.55 173.98 2i4m s ILE 223 N 1.18 2.04 -0.30 2.71 -4.36 -1.21 -1.93 121.20 119.33 2i4m s ILE 223 Ca 0.18 -1.12 -0.29 0.00 -0.26 0.00 0.00 60.65 59.16 2i4m s ILE 223 Cb -0.21 -1.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.79 2i4m s ILE 223 CO -0.01 0.56 1.47 -0.62 0.24 0.00 0.00 174.94 176.58 2i4m s ASP 224 N -0.64 6.43 0.44 4.36 -1.08 -0.91 -2.25 116.67 123.02 2i4m s ASP 224 Ca 0.10 1.25 0.26 0.00 -0.52 0.00 0.00 52.55 53.64 2i4m s ASP 224 Cb -0.10 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.12 2i4m s ASP 224 CO -0.01 -1.27 1.74 -0.09 0.52 0.00 0.00 175.17 176.06 2i4m h ARG 225 N 10.38 0.22 -0.67 4.34 2.43 -1.90 0.58 114.38 129.76 2i4m h ARG 225 Ca -0.29 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.94 2i4m h ARG 225 Cb 1.12 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.53 2i4m h ARG 225 CO 1.04 0.15 -0.36 -0.25 -1.51 0.00 0.00 179.97 179.03 2i4m n ASP 226 N -4.53 -0.63 0.21 -3.80 8.00 -1.26 0.55 116.55 115.10 2i4m n ASP 226 Ca 0.29 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.97 2i4m n ASP 226 Cb 1.12 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 2i4m n ASP 226 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2i4m n VAL 227 N -4.88 0.00 0.15 2.53 3.14 0.19 -3.17 118.33 116.29 2i4m n VAL 227 Ca 0.03 0.70 0.10 0.00 -2.96 0.00 0.00 64.34 62.21 2i4m n VAL 227 Cb 0.20 -1.46 0.06 0.00 -1.06 0.00 0.00 33.84 31.58 2i4m n VAL 227 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2i4m h LEU 228 N 0.00 0.00 -4.63 6.55 3.38 -0.11 -3.35 115.31 117.15 2i4m h LEU 228 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2i4m h LEU 228 Cb 1.41 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.74 2i4m h LEU 228 CO 0.00 0.11 -0.81 0.59 0.09 0.00 0.00 178.44 178.43 2i4m n ASN 229 N -2.92 4.15 -4.86 -0.43 4.13 -1.19 -5.08 115.26 109.06 2i4m n ASN 229 Ca 0.01 -3.55 -0.31 0.00 1.68 0.00 0.00 54.58 52.40 2i4m n ASN 229 Cb 0.59 -0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 38.31 2i4m n ASN 229 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2i4m s LEU 230 N -3.46 3.92 0.12 3.41 1.43 -1.26 -5.03 118.68 117.82 2i4m s LEU 230 Ca 0.45 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.46 2i4m s LEU 230 Cb 0.41 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 2i4m s LEU 230 CO -0.15 -0.33 1.05 -2.84 0.23 0.00 0.00 176.35 174.31 2i4m s PRO 231 N -3.49 4.62 -0.36 1.29 0.02 -1.26 -5.01 135.00 130.80 2i4m s PRO 231 Ca 0.53 1.59 -0.21 0.00 0.02 0.00 0.00 61.00 62.94 2i4m s PRO 231 Cb -0.10 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.08 2i4m s PRO 231 CO 0.25 0.08 0.65 0.08 -0.33 0.00 0.00 177.00 177.74 2i4m s VAL 232 N 0.09 4.87 0.25 3.83 1.01 -1.26 -5.02 120.40 124.17 2i4m s VAL 232 Ca 0.50 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 2i4m s VAL 232 Cb -0.26 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 2i4m s VAL 232 CO 0.32 -0.35 1.16 -2.65 0.00 0.00 0.00 175.10 173.58 2i4m n PRO 233 N 6.10 1.51 -0.25 2.72 -0.02 -1.26 -4.94 135.00 138.85 2i4m n PRO 233 Ca -0.01 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 61.94 2i4m n PRO 233 Cb 0.48 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 32.00 2i4m n PRO 233 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2i4m n ASP 234 N 1.60 -1.20 0.05 2.55 5.68 -1.26 -4.80 116.55 119.17 2i4m n ASP 234 Ca 0.11 -0.67 0.08 0.00 -0.50 0.00 0.00 54.79 53.81 2i4m n ASP 234 Cb 0.30 -0.23 0.35 0.00 -1.14 0.00 0.00 41.12 40.40 2i4m n ASP 234 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2i4m n GLU 235 N -2.24 0.07 -0.25 0.11 0.00 -1.26 -3.35 120.64 113.71 2i4m n GLU 235 Ca 0.04 0.34 0.06 0.00 0.00 0.00 0.00 57.16 57.60 2i4m n GLU 235 Cb 0.14 -1.63 0.18 0.00 0.00 0.00 0.00 31.44 30.12 2i4m n GLU 235 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2i4m n ASN 236 N -1.76 3.20 -4.62 -1.84 4.13 -1.26 -5.01 115.26 108.11 2i4m n ASN 236 Ca 0.03 -2.27 -0.44 0.00 1.68 0.00 0.00 54.58 53.58 2i4m n ASN 236 Cb 0.17 -0.32 -0.01 0.00 -1.54 0.00 0.00 39.78 38.08 2i4m n ASN 236 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2i4m n VAL 237 N 0.27 1.93 -3.13 2.41 3.14 -1.21 -4.91 118.33 116.82 2i4m n VAL 237 Ca 0.14 -0.48 -0.45 0.00 -2.96 0.00 0.00 64.34 60.59 2i4m n VAL 237 Cb 0.55 -1.13 -0.04 0.00 -1.06 0.00 0.00 33.84 32.15 2i4m n VAL 237 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2i4m s ASP 238 N -0.46 6.19 0.59 6.55 2.15 -1.26 -4.93 116.67 125.51 2i4m s ASP 238 Ca 0.59 -1.49 0.36 0.00 0.43 0.00 0.00 52.55 52.44 2i4m s ASP 238 Cb -0.68 -2.29 1.84 0.00 -0.30 0.00 0.00 42.92 41.50 2i4m s ASP 238 CO 0.60 -1.08 2.18 1.88 -0.17 0.00 0.00 175.17 178.57 2i4m h TYR 239 N 9.14 0.00 0.00 -5.34 0.05 -1.91 -2.03 116.97 116.89 2i4m h TYR 239 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2i4m h TYR 239 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2i4m h TYR 239 CO 0.83 0.03 -0.78 -0.25 -1.05 0.00 0.00 178.16 176.94 2i4m n ASP 240 N -3.26 0.64 -3.94 3.88 9.92 -1.26 -4.93 116.55 117.61 2i4m n ASP 240 Ca -0.02 -0.05 -0.30 0.00 -0.53 0.00 0.00 54.79 53.89 2i4m n ASP 240 Cb 0.18 0.43 0.21 0.00 -0.64 0.00 0.00 41.12 41.31 2i4m n ASP 240 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2i4m s GLY 241 N -3.59 1.75 -0.34 0.44 0.00 -0.76 -4.97 107.32 99.84 2i4m s GLY 241 Ca 0.06 -1.21 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 2i4m s GLY 241 CO 0.75 -0.37 1.38 -0.35 0.00 0.00 0.00 173.10 174.51 2i4m s ASP 242 N -4.67 6.50 0.05 1.64 2.15 -1.26 -4.86 116.67 116.23 2i4m s ASP 242 Ca 0.74 1.09 0.25 0.00 0.43 0.00 0.00 52.55 55.07 2i4m s ASP 242 Cb -0.04 -2.54 0.56 0.00 -0.30 0.00 0.00 42.92 40.60 2i4m s ASP 242 CO 0.54 -1.24 1.47 0.18 -0.17 0.00 0.00 175.17 175.94 2i4m n LEU 243 N 8.20 0.52 -0.35 -1.34 4.77 -1.26 -4.45 117.00 123.09 2i4m n LEU 243 Ca 0.16 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.28 2i4m n LEU 243 Cb 0.47 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2i4m n LEU 243 CO 0.66 0.03 0.48 0.41 -1.33 0.00 0.00 177.39 177.64 2i4m n THR 244 N -1.76 -0.51 -0.26 -5.08 -1.04 -1.26 -1.40 114.28 102.97 2i4m n THR 244 Ca 0.05 2.07 0.23 0.00 -2.04 0.00 0.00 64.05 64.36 2i4m n THR 244 Cb 0.38 -2.67 0.58 0.00 -1.82 0.00 0.00 70.33 66.79 2i4m n THR 244 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2i4m h PRO 245 N 0.00 0.27 0.09 -2.82 0.11 -2.00 0.09 132.00 127.75 2i4m h PRO 245 Ca 0.25 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 2i4m h PRO 245 Cb 0.46 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.53 2i4m h PRO 245 CO -0.85 0.18 -0.77 0.82 -0.21 0.00 0.00 178.00 177.17 2i4m h ILE 246 N 0.28 1.47 -0.17 4.15 2.04 -1.57 -1.42 117.51 122.29 2i4m h ILE 246 Ca 0.50 -2.37 0.02 0.00 1.00 0.00 0.00 64.86 64.01 2i4m h ILE 246 Cb 1.47 2.96 -0.02 0.00 -0.74 0.00 0.00 36.82 40.49 2i4m h ILE 246 CO -0.16 0.68 0.05 0.40 0.00 0.00 0.00 178.15 179.12 2i4m h ILE 247 N -0.24 0.94 -0.12 -0.67 1.08 -1.28 -1.34 117.51 115.88 2i4m h ILE 247 Ca -0.12 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 2i4m h ILE 247 Cb 1.55 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 2i4m h ILE 247 CO 0.15 0.02 -0.07 0.11 -0.69 0.00 0.00 178.15 177.67 2i4m h LYS 248 N 0.12 -0.06 -0.76 2.37 1.57 -1.04 0.80 116.57 119.57 2i4m h LYS 248 Ca 0.08 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 2i4m h LYS 248 Cb 0.06 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.25 2i4m h LYS 248 CO -0.09 -0.04 -0.36 0.37 -0.57 0.00 0.00 179.45 178.75 2i4m h GLN 249 N -0.07 -0.09 0.00 3.15 4.15 -0.99 0.95 115.11 122.21 2i4m h GLN 249 Ca 0.07 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2i4m h GLN 249 Cb 0.17 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2i4m h GLN 249 CO -0.17 -0.06 0.00 0.91 -1.93 0.00 0.00 178.83 177.58 2i4m n TRP 250 N -5.45 0.00 -0.30 3.99 7.02 -0.53 -3.64 117.44 118.53 2i4m n TRP 250 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 2i4m n TRP 250 Cb 0.37 -0.31 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 2i4m n TRP 250 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2i4m n THR 251 N -1.31 0.65 0.08 -0.99 -2.24 0.18 -4.69 114.28 105.96 2i4m n THR 251 Ca 0.13 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 2i4m n THR 251 Cb 0.25 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 2i4m n THR 251 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2i4m h SER 252 N 0.00 0.31 -3.66 3.42 4.64 -0.92 -3.44 113.55 113.89 2i4m h SER 252 Ca 0.00 -0.26 -0.50 0.00 -0.47 0.00 0.00 61.79 60.56 2i4m h SER 252 Cb 0.62 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2i4m h SER 252 CO 0.00 1.07 0.37 -0.69 -0.87 0.00 0.00 176.83 176.70 2i4m s VAL 253 N -3.18 4.22 0.05 0.95 1.01 -1.26 -5.04 120.40 117.15 2i4m s VAL 253 Ca -0.03 2.04 -0.31 0.00 0.00 0.00 0.00 61.98 63.67 2i4m s VAL 253 Cb 0.10 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 2i4m s VAL 253 CO 0.84 0.41 1.91 0.00 0.00 0.00 0.00 175.10 178.25 2i4m n TYR 254 N 2.08 2.52 -3.37 5.22 9.36 -1.26 -4.98 117.16 126.73 2i4m n TYR 254 Ca 0.00 -0.24 -0.11 0.00 3.32 0.00 0.00 57.90 60.87 2i4m n TYR 254 Cb 0.48 -2.76 -0.09 0.00 -0.63 0.00 0.00 39.34 36.35 2i4m n TYR 254 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2i4m s ALA 255 N 3.76 -0.93 0.03 2.98 0.00 -1.26 -2.15 121.76 124.19 2i4m s ALA 255 Ca 0.87 0.62 0.06 0.00 0.00 0.00 0.00 51.96 53.50 2i4m s ALA 255 Cb -0.49 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2i4m s ALA 255 CO 0.42 -1.36 -0.17 0.00 0.00 0.00 0.00 175.76 174.65 2i4m s ALA 256 N 2.50 1.41 0.88 0.00 0.00 -0.81 -0.11 121.76 125.63 2i4m s ALA 256 Ca 0.11 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 2i4m s ALA 256 Cb -0.15 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 22.83 2i4m s ALA 256 CO -0.19 0.30 1.19 0.95 0.00 0.00 0.00 175.76 178.02 2i4m s THR 257 N -0.75 1.99 0.27 0.00 -4.23 -0.34 -0.86 115.64 111.72 2i4m s THR 257 Ca 0.05 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 60.89 2i4m s THR 257 Cb -0.08 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.20 2i4m s THR 257 CO 0.01 0.00 2.05 1.05 -0.54 0.00 0.00 174.62 177.19 2i4m h GLU 258 N -1.33 0.00 0.00 3.99 4.11 -0.75 0.67 114.58 121.27 2i4m h GLU 258 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 2i4m h GLU 258 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2i4m h GLU 258 CO 0.59 0.06 -0.32 -0.44 0.07 0.00 0.00 179.01 178.96 2i4m h ASP 259 N 0.00 0.00 0.00 3.06 3.32 -1.93 -3.32 116.42 117.55 2i4m h ASP 259 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2i4m h ASP 259 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2i4m h ASP 259 CO 0.01 0.32 -0.98 1.33 -1.72 0.00 0.00 179.24 178.20 2i4m n VAL 260 N -3.57 0.00 -1.26 -1.35 0.24 -1.01 -4.89 118.33 106.49 2i4m n VAL 260 Ca -0.00 -0.05 -0.50 0.00 -2.04 0.00 0.00 64.34 61.75 2i4m n VAL 260 Cb 0.46 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 33.27 2i4m n VAL 260 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2i4m n HIS 261 N -1.50 0.61 -4.75 6.34 -0.00 0.20 -4.98 115.22 111.14 2i4m n HIS 261 Ca -0.00 0.89 -0.24 0.00 -0.00 0.00 0.00 57.72 58.37 2i4m n HIS 261 Cb 0.02 -1.75 -0.15 0.00 -0.00 0.00 0.00 29.99 28.11 2i4m n HIS 261 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2i4m s GLU 262 N 0.22 1.29 -0.01 1.57 0.41 -1.26 -5.01 118.70 115.92 2i4m s GLU 262 Ca 0.77 -0.59 0.13 0.00 -0.41 0.00 0.00 54.97 54.87 2i4m s GLU 262 Cb -1.07 -1.26 -0.21 0.00 -1.78 0.00 0.00 34.13 29.81 2i4m s GLU 262 CO 0.49 0.34 0.74 -1.00 -0.49 0.00 0.00 175.26 175.35 2i4m h PRO 263 N 5.71 0.00 0.00 0.39 0.14 -2.00 -3.03 132.00 133.20 2i4m h PRO 263 Ca -0.36 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.78 2i4m h PRO 263 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.30 2i4m h PRO 263 CO 0.48 0.48 0.00 0.00 0.14 0.00 0.00 178.00 179.11 2i4m n ALA 264 N -2.51 -0.08 -0.59 -0.56 0.00 -1.26 -3.22 120.51 112.29 2i4m n ALA 264 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2i4m n ALA 264 Cb 1.00 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.68 2i4m n ALA 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i4m n ARG 265 N -1.61 0.00 0.00 0.00 1.74 -1.26 -2.26 116.66 113.27 2i4m n ARG 265 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2i4m n ARG 265 Cb 0.00 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2i4m n ARG 265 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2i4m n TYR 266 N -1.13 0.00 0.43 -1.55 9.36 -1.14 0.29 117.16 123.42 2i4m n TYR 266 Ca 0.00 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.05 2i4m n TYR 266 Cb 0.00 -0.03 -0.08 0.00 -0.63 0.00 0.00 39.34 38.60 2i4m n TYR 266 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2i4m h GLU 267 N 0.00 -1.07 -1.82 2.98 5.08 -1.48 -1.63 114.58 116.65 2i4m h GLU 267 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2i4m h GLU 267 Cb 0.00 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2i4m h GLU 267 CO 0.00 -0.71 0.00 -1.13 -1.00 0.00 0.00 179.01 176.17 2i4m n SER 268 N -5.04 2.60 0.00 1.42 3.41 0.15 -1.01 113.62 115.14 2i4m n SER 268 Ca -0.14 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 2i4m n SER 268 Cb 0.44 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2i4m n SER 268 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i4m n GLU 269 N 1.40 0.00 -4.31 4.33 1.02 -0.87 -4.85 120.64 117.36 2i4m n GLU 269 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 2i4m n GLU 269 Cb 0.28 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.57 2i4m n GLU 269 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i4m s VAL 270 N 0.00 0.97 0.14 2.62 1.01 -0.18 -4.82 120.40 120.14 2i4m s VAL 270 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 2i4m s VAL 270 Cb 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 2i4m s VAL 270 CO 0.00 -0.02 1.41 -2.16 0.00 0.00 0.00 175.10 174.34 2i4m s PRO 271 N -1.06 4.31 0.53 2.72 0.04 -1.26 -4.81 135.00 135.47 2i4m s PRO 271 Ca 0.00 2.13 0.24 0.00 0.04 0.00 0.00 61.00 63.41 2i4m s PRO 271 Cb -0.07 -3.22 1.38 0.00 0.04 0.00 0.00 34.50 32.63 2i4m s PRO 271 CO 0.01 -0.44 2.03 1.49 0.04 0.00 0.00 177.00 180.12 2i4m h GLU 272 N 6.53 0.00 0.00 4.56 4.22 -1.95 -0.86 114.58 127.09 2i4m h GLU 272 Ca -0.43 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 58.86 2i4m h GLU 272 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2i4m h GLU 272 CO 0.86 0.00 -0.72 0.00 -2.18 0.00 0.00 179.01 176.97 2i4m h ALA 273 N 1.78 0.57 0.13 2.92 0.00 -2.04 -3.30 119.26 119.34 2i4m h ALA 273 Ca 0.19 -0.66 -0.36 0.00 0.00 0.00 0.00 54.91 54.09 2i4m h ALA 273 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2i4m h ALA 273 CO -0.00 0.90 -1.92 -0.91 0.00 0.00 0.00 179.25 177.32 2i4m h ASN 274 N 0.00 0.43 -0.07 0.00 2.35 -1.76 -3.47 115.58 113.06 2i4m h ASN 274 Ca -0.01 -0.88 -0.37 0.00 -0.55 0.00 0.00 56.30 54.49 2i4m h ASN 274 Cb 1.50 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 2i4m h ASN 274 CO 0.09 1.78 0.58 0.54 -1.65 0.00 0.00 177.43 178.77 2i4m n ARG 275 N -3.48 0.00 -3.67 0.81 1.74 -0.40 -3.12 116.66 108.54 2i4m n ARG 275 Ca -0.29 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.50 2i4m n ARG 275 Cb 1.05 -0.71 -0.15 0.00 -1.02 0.00 0.00 32.46 31.64 2i4m n ARG 275 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2i4m s LEU 276 N 2.61 1.63 0.37 0.55 2.34 -0.96 -4.94 118.68 120.28 2i4m s LEU 276 Ca 0.56 -1.49 -0.26 0.00 0.06 0.00 0.00 54.13 53.00 2i4m s LEU 276 Cb -0.71 -0.68 -0.12 0.00 -0.56 0.00 0.00 46.19 44.12 2i4m s LEU 276 CO 0.32 -0.42 1.05 -3.20 -1.06 0.00 0.00 176.35 173.04 2i4m n ASN 277 N 4.99 1.47 0.00 1.48 5.15 -1.26 -3.32 115.26 123.77 2i4m n ASN 277 Ca -0.04 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 2i4m n ASN 277 Cb 0.42 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 2i4m n ASN 277 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2i4m n THR 278 N -0.17 0.00 -2.91 -0.44 5.66 -0.26 -4.98 114.28 111.18 2i4m n THR 278 Ca 0.09 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.80 2i4m n THR 278 Cb 0.37 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 2i4m n THR 278 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2i4m s ARG 279 N -2.00 3.64 0.20 1.09 1.81 -1.26 0.15 118.95 122.58 2i4m s ARG 279 Ca 0.00 0.21 -0.23 0.00 -1.72 0.00 0.00 55.73 53.99 2i4m s ARG 279 Cb 0.00 -2.46 0.05 0.00 -0.45 0.00 0.00 34.95 32.09 2i4m s ARG 279 CO 0.00 -0.04 0.82 0.20 -0.68 0.00 0.00 175.30 175.61 2i4m s GLY 280 N -3.59 -0.22 -0.16 -3.53 0.00 -0.74 -1.25 107.32 97.83 2i4m s GLY 280 Ca 0.47 0.02 -0.08 0.00 0.00 0.00 0.00 44.72 45.14 2i4m s GLY 280 CO 0.37 -0.00 0.11 -0.42 0.00 0.00 0.00 173.10 173.16 2i4m s ILE 281 N -3.59 5.27 -0.54 0.90 1.09 0.23 -2.15 121.20 122.42 2i4m s ILE 281 Ca 0.10 0.13 -0.24 0.00 -1.10 0.00 0.00 60.65 59.55 2i4m s ILE 281 Cb -0.03 -3.35 0.04 0.00 -1.06 0.00 0.00 42.46 38.05 2i4m s ILE 281 CO 0.02 0.51 0.91 -0.70 -0.10 0.00 0.00 174.94 175.58 2i4m s GLU 282 N -0.17 3.32 0.03 2.79 2.12 -1.26 0.13 118.70 125.66 2i4m s GLU 282 Ca 0.10 -0.30 0.22 0.00 0.36 0.00 0.00 54.97 55.35 2i4m s GLU 282 Cb -0.12 -4.05 -0.23 0.00 0.26 0.00 0.00 34.13 29.99 2i4m s GLU 282 CO 0.01 -1.44 0.66 1.33 -0.54 0.00 0.00 175.26 175.28 2i4m n VAL 283 N 6.15 0.15 -3.61 3.70 0.24 -0.51 -4.85 118.33 119.60 2i4m n VAL 283 Ca 0.01 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.70 2i4m n VAL 283 Cb 0.47 -0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.77 2i4m n VAL 283 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2i4m s GLY 284 N -4.35 -0.38 -0.03 7.63 0.00 -1.14 -0.27 107.32 108.79 2i4m s GLY 284 Ca -0.05 0.60 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 2i4m s GLY 284 CO 0.87 0.31 0.08 1.62 0.00 0.00 0.00 173.10 175.99 2i4m s GLN 285 N -2.12 0.10 -0.01 2.90 0.74 -0.55 0.43 119.66 121.15 2i4m s GLN 285 Ca -0.07 0.11 0.06 0.00 0.05 0.00 0.00 55.36 55.50 2i4m s GLN 285 Cb -0.01 0.05 -0.01 0.00 1.10 0.00 0.00 33.01 34.13 2i4m s GLN 285 CO 0.01 -0.01 -0.18 0.96 -0.55 0.00 0.00 175.29 175.51 2i4m s ILE 286 N 0.02 1.43 0.03 -2.34 -4.36 -0.20 -1.82 121.20 113.96 2i4m s ILE 286 Ca -0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 2i4m s ILE 286 Cb -0.01 -1.20 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 2i4m s ILE 286 CO 0.00 0.39 -0.04 -0.36 0.24 0.00 0.00 174.94 175.17 2i4m s PHE 287 N -0.45 0.36 -0.21 1.37 0.40 -0.84 -1.77 117.98 116.84 2i4m s PHE 287 Ca 0.07 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2i4m s PHE 287 Cb -0.07 -0.25 0.04 0.00 0.51 0.00 0.00 43.02 43.25 2i4m s PHE 287 CO -0.01 -0.18 -0.13 -0.47 0.70 0.00 0.00 175.22 175.13 2i4m s TYR 288 N -1.59 2.76 -0.21 0.36 5.04 -0.51 -2.08 117.35 121.12 2i4m s TYR 288 Ca -0.13 -1.82 0.15 0.00 -2.44 0.00 0.00 57.07 52.83 2i4m s TYR 288 Cb -0.09 -1.80 0.65 0.00 0.35 0.00 0.00 41.96 41.07 2i4m s TYR 288 CO -0.01 -0.80 1.57 1.97 -1.34 0.00 0.00 175.55 176.93 2i4m n PHE 289 N 4.59 1.45 -0.40 4.97 1.16 -0.59 -3.92 117.46 124.73 2i4m n PHE 289 Ca -0.16 -0.87 0.00 0.00 -1.87 0.00 0.00 57.45 54.55 2i4m n PHE 289 Cb 0.46 -0.42 0.00 0.00 -1.61 0.00 0.00 39.48 37.92 2i4m n PHE 289 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2i4m n GLY 290 N -0.11 2.49 1.21 4.97 0.00 -1.16 -1.94 105.19 110.66 2i4m n GLY 290 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.21 2i4m n GLY 290 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i4m n THR 291 N 0.00 1.42 -0.17 2.61 -2.24 -1.26 -1.36 114.28 113.27 2i4m n THR 291 Ca 0.00 -0.74 -0.05 0.00 -2.27 0.00 0.00 64.05 60.99 2i4m n THR 291 Cb 0.00 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 2i4m n THR 291 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2i4m h LYS 292 N 2.21 -0.02 0.03 -0.78 3.64 -1.71 -0.91 116.57 119.03 2i4m h LYS 292 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 2i4m h LYS 292 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2i4m h LYS 292 CO 0.24 -0.01 -1.28 1.88 -2.27 0.00 0.00 179.45 178.01 2i4m h TYR 293 N -0.02 0.10 -0.25 1.91 0.05 -1.85 -3.30 116.97 113.61 2i4m h TYR 293 Ca 0.06 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 2i4m h TYR 293 Cb 0.19 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 2i4m h TYR 293 CO -0.94 1.07 -0.12 0.66 -1.05 0.00 0.00 178.16 177.78 2i4m h SER 294 N 0.01 0.39 0.37 3.88 4.64 -1.78 -1.02 113.55 120.05 2i4m h SER 294 Ca -0.12 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 2i4m h SER 294 Cb 1.88 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 2i4m h SER 294 CO 0.13 0.55 -0.18 0.44 -0.87 0.00 0.00 176.83 176.90 2i4m h ASP 295 N 0.38 -0.42 0.34 4.97 3.45 -1.25 0.02 116.42 123.90 2i4m h ASP 295 Ca 0.07 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.55 2i4m h ASP 295 Cb 0.45 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 2i4m h ASP 295 CO 0.03 -0.27 0.00 -1.54 -1.57 0.00 0.00 179.24 175.88 2i4m n SER 296 N -3.49 0.00 0.00 6.45 3.41 -1.22 -2.56 113.62 116.21 2i4m n SER 296 Ca -0.06 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2i4m n SER 296 Cb 0.20 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2i4m n SER 296 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2i4m n MET 297 N -1.43 0.34 -3.47 4.33 2.81 -0.39 -4.62 117.12 114.69 2i4m n MET 297 Ca 0.04 -0.81 -0.21 0.00 -1.81 0.00 0.00 57.70 54.91 2i4m n MET 297 Cb 0.12 -0.97 0.08 0.00 -0.71 0.00 0.00 33.22 31.73 2i4m n MET 297 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2i4m n LYS 298 N -0.16 -7.11 -3.12 0.03 5.02 -0.11 -4.93 118.16 107.77 2i4m n LYS 298 Ca 0.00 0.77 -0.45 0.00 -2.02 0.00 0.00 58.31 56.62 2i4m n LYS 298 Cb 0.10 -5.64 -0.01 0.00 -0.02 0.00 0.00 35.03 29.46 2i4m n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i4m s ALA 299 N -3.31 4.03 0.19 7.82 0.00 -0.59 -5.00 121.76 124.91 2i4m s ALA 299 Ca 0.41 -3.32 0.06 0.00 0.00 0.00 0.00 51.96 49.12 2i4m s ALA 299 Cb -0.18 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 2i4m s ALA 299 CO 0.68 -2.58 0.12 -0.80 0.00 0.00 0.00 175.76 173.17 2i4m s ASN 300 N 2.53 5.35 0.16 0.00 0.02 -1.26 -2.40 114.94 119.34 2i4m s ASN 300 Ca 0.32 -0.22 0.06 0.00 -1.02 0.00 0.00 52.86 52.00 2i4m s ASN 300 Cb -0.07 -1.34 -0.04 0.00 0.02 0.00 0.00 41.25 39.82 2i4m s ASN 300 CO -0.06 0.05 -0.12 0.68 0.02 0.00 0.00 177.10 177.66 2i4m s VAL 301 N -1.85 1.39 -0.19 1.60 -7.23 -1.04 -4.62 120.40 108.46 2i4m s VAL 301 Ca 0.31 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2i4m s VAL 301 Cb -0.09 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2i4m s VAL 301 CO 0.23 -0.63 1.09 -0.89 -0.31 0.00 0.00 175.10 174.59 2i4m s THR 302 N -2.96 4.59 0.97 5.32 2.01 0.11 -2.10 115.64 123.58 2i4m s THR 302 Ca 0.17 1.91 -0.16 0.00 0.31 0.00 0.00 61.69 63.92 2i4m s THR 302 Cb -0.00 -4.23 0.21 0.00 0.01 0.00 0.00 72.50 68.48 2i4m s THR 302 CO 0.03 -0.14 1.33 -0.83 -0.69 0.00 0.00 174.62 174.32 2i4m s GLY 303 N 1.36 1.80 0.16 4.40 0.00 0.19 -1.55 107.32 113.67 2i4m s GLY 303 Ca 0.47 -1.25 -0.16 0.00 0.00 0.00 0.00 44.72 43.78 2i4m s GLY 303 CO 0.10 -0.46 1.72 -2.55 0.00 0.00 0.00 173.10 171.91 2i4m h PRO 304 N -1.67 0.16 -1.52 2.90 0.11 -1.97 -2.59 132.00 127.43 2i4m h PRO 304 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2i4m h PRO 304 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2i4m h PRO 304 CO 0.36 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 2i4m n ASP 305 N -5.12 1.55 0.00 -2.05 5.75 -1.26 -4.76 116.55 110.67 2i4m n ASP 305 Ca 0.01 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 2i4m n ASP 305 Cb 0.17 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2i4m n ASP 305 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i4m n GLY 306 N 0.79 0.00 3.91 6.12 0.00 -0.97 -4.95 105.19 110.08 2i4m n GLY 306 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2i4m n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i4m s THR 307 N -0.87 4.99 -0.17 2.61 2.01 -1.26 -4.72 115.64 118.23 2i4m s THR 307 Ca 0.00 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2i4m s THR 307 Cb 0.00 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2i4m s THR 307 CO 0.00 -0.56 0.17 -1.81 -0.69 0.00 0.00 174.62 171.73 2i4m s ASP 308 N -3.67 6.31 -0.11 3.53 1.11 -1.26 0.56 116.67 123.14 2i4m s ASP 308 Ca 0.44 0.35 -0.13 0.00 0.18 0.00 0.00 52.55 53.40 2i4m s ASP 308 Cb -0.10 -2.11 0.03 0.00 1.07 0.00 0.00 42.92 41.81 2i4m s ASP 308 CO 0.36 0.22 0.35 0.00 1.18 0.00 0.00 175.17 177.28 2i4m s ALA 309 N 0.04 -0.87 0.65 5.23 0.00 -0.89 -4.98 121.76 120.94 2i4m s ALA 309 Ca 0.12 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 2i4m s ALA 309 Cb -0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2i4m s ALA 309 CO 0.01 -0.19 0.71 -2.30 0.00 0.00 0.00 175.76 173.98 2i4m n PRO 310 N 2.49 0.53 -2.60 0.00 -0.02 -1.26 -2.49 135.00 131.65 2i4m n PRO 310 Ca -0.15 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 2i4m n PRO 310 Cb 0.57 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 2i4m n PRO 310 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2i4m s ILE 311 N -1.75 4.66 -0.32 4.25 -5.25 -1.01 -4.82 121.20 116.96 2i4m s ILE 311 Ca 0.70 0.92 -0.14 0.00 -0.99 0.00 0.00 60.65 61.15 2i4m s ILE 311 Cb -0.39 -3.73 -0.02 0.00 2.95 0.00 0.00 42.46 41.27 2i4m s ILE 311 CO 0.53 -0.62 0.32 -1.00 -1.79 0.00 0.00 174.94 172.37 2i4m s HIS 312 N -2.52 3.22 0.28 1.37 3.76 0.07 -4.29 115.29 117.17 2i4m s HIS 312 Ca 0.55 0.01 0.07 0.00 -0.15 0.00 0.00 55.06 55.55 2i4m s HIS 312 Cb -0.10 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 30.98 2i4m s HIS 312 CO 0.32 -0.35 0.25 0.20 -0.85 0.00 0.00 174.74 174.30 2i4m s GLY 313 N 1.72 1.51 0.07 -2.22 0.00 -0.47 -1.70 107.32 106.24 2i4m s GLY 313 Ca 0.10 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 43.25 2i4m s GLY 313 CO 0.11 -1.48 0.22 -0.32 0.00 0.00 0.00 173.10 171.63 2i4m s GLY 314 N -3.91 0.02 0.19 0.20 0.00 -1.18 -1.54 107.32 101.09 2i4m s GLY 314 Ca 0.36 -0.40 0.06 0.00 0.00 0.00 0.00 44.72 44.73 2i4m s GLY 314 CO 0.26 -0.59 -0.10 -1.35 0.00 0.00 0.00 173.10 171.32 2i4m s SER 315 N -2.52 2.12 -0.18 1.64 1.04 -0.88 -0.82 113.70 114.10 2i4m s SER 315 Ca 0.00 -1.05 -0.06 0.00 0.48 0.00 0.00 55.95 55.32 2i4m s SER 315 Cb 0.02 -0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.17 2i4m s SER 315 CO -0.08 -0.30 0.36 -0.31 0.98 0.00 0.00 173.24 173.89 2i4m s TYR 316 N -3.20 -0.68 0.11 5.02 2.02 0.76 -1.98 117.35 119.39 2i4m s TYR 316 Ca 0.21 1.26 0.08 0.00 -0.37 0.00 0.00 57.07 58.24 2i4m s TYR 316 Cb 0.02 0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.70 2i4m s TYR 316 CO 0.04 -0.47 -0.19 0.20 -1.57 0.00 0.00 175.55 173.56 2i4m s GLY 317 N 2.54 1.18 -0.04 0.71 0.00 -0.76 0.37 107.32 111.33 2i4m s GLY 317 Ca 0.01 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.50 2i4m s GLY 317 CO -0.12 -1.25 -0.02 0.14 0.00 0.00 0.00 173.10 171.85 2i4m s VAL 318 N -1.36 0.37 -0.95 1.40 1.01 -0.19 -1.49 120.40 119.20 2i4m s VAL 318 Ca 0.06 -0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 2i4m s VAL 318 Cb -0.09 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.88 2i4m s VAL 318 CO 0.04 0.19 1.53 -0.83 0.00 0.00 0.00 175.10 176.04 2i4m s GLY 319 N 1.00 0.99 0.03 4.51 0.00 0.63 -1.83 107.32 112.64 2i4m s GLY 319 Ca -0.10 -1.97 -0.29 0.00 0.00 0.00 0.00 44.72 42.35 2i4m s GLY 319 CO -0.01 2.85 1.23 -2.08 0.00 0.00 0.00 173.10 175.10 2i4m h VAL 320 N 6.80 0.00 -0.09 1.40 2.07 -1.26 0.65 116.25 125.83 2i4m h VAL 320 Ca 0.11 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2i4m h VAL 320 Cb 1.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2i4m h VAL 320 CO 1.37 0.00 -0.07 0.77 0.02 0.00 0.00 177.57 179.66 2i4m h SER 321 N -1.25 0.12 0.04 0.57 4.64 -1.82 -0.76 113.55 115.08 2i4m h SER 321 Ca -0.11 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 2i4m h SER 321 Cb 0.81 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2i4m h SER 321 CO 0.18 0.21 -0.32 -0.09 -0.87 0.00 0.00 176.83 175.94 2i4m h ARG 322 N 0.13 0.42 -0.71 4.77 2.43 -1.72 -2.98 114.38 116.71 2i4m h ARG 322 Ca 0.03 -0.18 0.17 0.00 -0.81 0.00 0.00 59.98 59.19 2i4m h ARG 322 Cb 0.21 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 2i4m h ARG 322 CO 0.01 0.69 0.49 -0.07 -1.51 0.00 0.00 179.97 179.58 2i4m h LEU 323 N 0.36 0.22 0.60 3.80 3.38 0.70 -0.77 115.31 123.60 2i4m h LEU 323 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2i4m h LEU 323 Cb 0.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2i4m h LEU 323 CO 0.06 0.11 -0.44 -0.07 0.09 0.00 0.00 178.44 178.19 2i4m h LEU 324 N 0.23 -1.14 -0.79 1.67 4.07 -1.60 0.54 115.31 118.28 2i4m h LEU 324 Ca 0.35 0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.52 2i4m h LEU 324 Cb 1.03 0.35 -0.14 0.00 1.08 0.00 0.00 40.66 42.98 2i4m h LEU 324 CO -0.07 -0.63 -0.33 1.23 -1.08 0.00 0.00 178.44 177.55 2i4m h GLY 325 N -0.99 0.08 1.52 0.83 0.00 -1.48 -1.94 103.07 101.10 2i4m h GLY 325 Ca -0.08 0.44 -0.12 0.00 0.00 0.00 0.00 47.33 47.57 2i4m h GLY 325 CO 0.03 -0.22 -0.36 0.00 0.00 0.00 0.00 176.54 175.99 2i4m h ALA 326 N 1.29 0.92 0.08 3.60 0.00 -0.43 -2.52 119.26 122.19 2i4m h ALA 326 Ca 0.31 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2i4m h ALA 326 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2i4m h ALA 326 CO -0.83 0.62 -0.04 0.82 0.00 0.00 0.00 179.25 179.83 2i4m h ILE 327 N 0.45 0.95 -0.50 0.00 2.04 0.80 -2.82 117.51 118.43 2i4m h ILE 327 Ca 0.05 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2i4m h ILE 327 Cb 0.84 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 2i4m h ILE 327 CO 0.07 0.02 0.24 0.40 0.00 0.00 0.00 178.15 178.88 2i4m h ILE 328 N -0.14 0.93 -0.26 -0.67 2.04 -1.29 0.17 117.51 118.30 2i4m h ILE 328 Ca -0.01 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.76 2i4m h ILE 328 Cb 0.11 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2i4m h ILE 328 CO 0.02 0.08 0.18 -0.33 0.00 0.00 0.00 178.15 178.11 2i4m h GLU 329 N 0.47 0.02 0.00 2.37 4.39 -1.32 0.12 114.58 120.62 2i4m h GLU 329 Ca 0.22 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2i4m h GLU 329 Cb 0.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2i4m h GLU 329 CO -0.17 0.01 -0.88 0.00 -1.16 0.00 0.00 179.01 176.82 2i4m n ALA 330 N -2.58 3.83 -3.41 3.43 0.00 -0.54 -4.62 120.51 116.60 2i4m n ALA 330 Ca 0.03 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.76 2i4m n ALA 330 Cb 0.32 -0.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 2i4m n ALA 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i4m s HIS 332 N -0.27 -0.06 0.28 0.00 -0.00 -1.10 -1.89 115.29 112.25 2i4m s HIS 332 Ca 0.33 -0.28 0.05 0.00 -0.00 0.00 0.00 55.06 55.16 2i4m s HIS 332 Cb 0.05 0.18 -0.02 0.00 -0.00 0.00 0.00 32.58 32.79 2i4m s HIS 332 CO -0.18 -0.70 0.27 -0.40 -0.00 0.00 0.00 174.74 173.72 2i4m n ASP 333 N -0.21 -0.69 0.28 7.38 5.68 -0.75 -4.94 116.55 123.31 2i4m n ASP 333 Ca -0.14 -2.82 0.12 0.00 -0.50 0.00 0.00 54.79 51.45 2i4m n ASP 333 Cb 0.63 1.54 0.63 0.00 -1.14 0.00 0.00 41.12 42.78 2i4m n ASP 333 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2i4m h ASP 334 N 1.73 0.00 0.00 -1.12 3.32 -2.02 -0.58 116.42 117.74 2i4m h ASP 334 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2i4m h ASP 334 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2i4m h ASP 334 CO 0.29 0.00 -1.00 0.59 -1.72 0.00 0.00 179.24 177.40 2i4m n ASN 335 N -2.59 0.84 0.00 6.45 5.03 -1.26 -5.09 115.26 118.64 2i4m n ASN 335 Ca -0.02 -0.72 0.00 0.00 0.87 0.00 0.00 54.58 54.71 2i4m n ASN 335 Cb 0.38 1.16 0.00 0.00 -1.02 0.00 0.00 39.78 40.30 2i4m n ASN 335 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2i4m n GLY 336 N 1.42 0.06 3.81 7.41 0.00 -0.23 -3.51 105.19 114.15 2i4m n GLY 336 Ca 0.02 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2i4m n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4m s ILE 337 N -4.00 4.12 -0.39 -0.61 1.01 0.08 -1.81 121.20 119.60 2i4m s ILE 337 Ca 0.00 1.36 0.01 0.00 0.00 0.00 0.00 60.65 62.03 2i4m s ILE 337 Cb 0.00 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 39.02 2i4m s ILE 337 CO 0.00 -0.25 0.18 -0.63 0.00 0.00 0.00 174.94 174.25 2i4m s ILE 338 N -2.05 1.27 0.01 2.92 1.01 -0.79 -3.63 121.20 119.94 2i4m s ILE 338 Ca 0.63 -2.16 -0.30 0.00 0.00 0.00 0.00 60.65 58.81 2i4m s ILE 338 Cb -0.13 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 2i4m s ILE 338 CO 0.17 -0.81 1.37 0.26 0.00 0.00 0.00 174.94 175.93 2i4m s TRP 339 N 0.80 2.95 0.75 3.97 0.23 -0.81 -4.70 118.94 122.12 2i4m s TRP 339 Ca 0.15 0.89 -0.16 0.00 -2.03 0.00 0.00 56.10 54.95 2i4m s TRP 339 Cb -0.22 -3.63 -0.02 0.00 0.03 0.00 0.00 33.47 29.63 2i4m s TRP 339 CO -0.08 -2.28 0.62 -2.30 0.96 0.00 0.00 176.95 173.87 2i4m n PRO 340 N 5.14 0.27 -0.13 4.98 -0.02 -1.26 -4.50 135.00 139.48 2i4m n PRO 340 Ca 0.13 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 2i4m n PRO 340 Cb 0.44 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 2i4m n PRO 340 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2i4m h GLU 341 N -0.50 0.58 -0.20 -0.52 4.81 -1.93 -2.70 114.58 114.12 2i4m h GLU 341 Ca -0.46 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2i4m h GLU 341 Cb 1.34 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2i4m h GLU 341 CO 0.43 0.53 0.14 0.00 -0.73 0.00 0.00 179.01 179.37 2i4m h ALA 342 N 1.01 1.99 -0.05 2.92 0.00 -1.91 -2.98 119.26 120.24 2i4m h ALA 342 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2i4m h ALA 342 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2i4m h ALA 342 CO -0.01 -0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.55 2i4m n VAL 343 N -4.50 0.10 -1.86 0.00 0.24 -1.09 -4.86 118.33 106.36 2i4m n VAL 343 Ca 0.01 -0.55 -0.41 0.00 -2.04 0.00 0.00 64.34 61.35 2i4m n VAL 343 Cb 0.16 1.16 -0.00 0.00 -1.47 0.00 0.00 33.84 33.69 2i4m n VAL 343 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i4m s ALA 344 N -0.96 3.51 0.38 2.33 0.00 -1.04 -4.65 121.76 121.34 2i4m s ALA 344 Ca 0.14 1.50 0.08 0.00 0.00 0.00 0.00 51.96 53.69 2i4m s ALA 344 Cb 0.10 -3.58 0.77 0.00 0.00 0.00 0.00 23.12 20.40 2i4m s ALA 344 CO 0.14 -1.01 1.93 -1.00 0.00 0.00 0.00 175.76 175.83 2i4m h PRO 345 N 2.96 0.32 -3.79 0.00 0.13 -1.90 -3.45 132.00 126.27 2i4m h PRO 345 Ca -0.51 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.43 2i4m h PRO 345 Cb 1.24 -0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2i4m h PRO 345 CO 0.64 0.40 -0.53 -0.06 -0.23 0.00 0.00 178.00 178.22 2i4m s PHE 346 N -4.87 0.19 -0.03 1.56 0.08 -1.26 -4.93 117.98 108.72 2i4m s PHE 346 Ca -0.06 -0.48 -0.00 0.00 0.12 0.00 0.00 56.93 56.51 2i4m s PHE 346 Cb 0.16 -0.14 -0.26 0.00 -0.57 0.00 0.00 43.02 42.21 2i4m s PHE 346 CO 0.74 -0.35 0.73 -0.09 -0.10 0.00 0.00 175.22 176.14 2i4m h ARG 347 N 3.75 0.19 -3.13 0.44 9.65 -0.25 -3.39 114.38 121.64 2i4m h ARG 347 Ca -0.32 -0.33 -0.16 0.00 -1.10 0.00 0.00 59.98 58.07 2i4m h ARG 347 Cb 1.19 0.12 -0.25 0.00 -1.39 0.00 0.00 29.97 29.64 2i4m h ARG 347 CO 0.49 1.00 -0.41 0.54 2.80 0.00 0.00 179.97 184.40 2i4m s VAL 348 N -2.60 0.01 -0.09 0.20 0.11 -0.92 -2.53 120.40 114.57 2i4m s VAL 348 Ca -0.11 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2i4m s VAL 348 Cb 0.07 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 2i4m s VAL 348 CO 0.83 -0.04 -0.12 0.28 -3.33 0.00 0.00 175.10 172.71 2i4m s THR 349 N -0.07 3.17 -0.34 5.04 -1.32 -0.47 -0.59 115.64 121.06 2i4m s THR 349 Ca -0.02 -0.65 -0.16 0.00 -1.21 0.00 0.00 61.69 59.65 2i4m s THR 349 Cb -0.02 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.66 2i4m s THR 349 CO 0.01 0.56 0.43 -0.63 -2.21 0.00 0.00 174.62 172.77 2i4m s ILE 350 N -0.18 5.10 -0.28 5.08 1.01 0.26 0.65 121.20 132.84 2i4m s ILE 350 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 2i4m s ILE 350 Cb -0.13 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2i4m s ILE 350 CO 0.03 -0.12 0.45 -0.76 0.00 0.00 0.00 174.94 174.54 2i4m s LEU 351 N 2.18 4.09 -0.26 2.97 1.43 0.16 -0.35 118.68 128.90 2i4m s LEU 351 Ca 0.15 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 2i4m s LEU 351 Cb -0.16 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 2i4m s LEU 351 CO 0.12 -0.27 0.16 0.21 0.23 0.00 0.00 176.35 176.80 2i4m s ASN 352 N 1.62 5.96 0.00 2.29 3.84 -1.19 -1.46 114.94 125.99 2i4m s ASN 352 Ca 0.18 0.02 0.23 0.00 0.21 0.00 0.00 52.86 53.50 2i4m s ASN 352 Cb -0.16 -2.09 0.33 0.00 -0.55 0.00 0.00 41.25 38.78 2i4m s ASN 352 CO 0.10 0.01 1.33 0.18 -2.79 0.00 0.00 177.10 175.93 2i4m n LEU 353 N 4.66 3.26 -2.88 3.21 4.77 -0.92 -4.47 117.00 124.63 2i4m n LEU 353 Ca -0.15 -1.31 -0.11 0.00 -0.03 0.00 0.00 56.01 54.41 2i4m n LEU 353 Cb 0.52 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2i4m n LEU 353 CO 0.34 0.65 0.05 1.17 -1.33 0.00 0.00 177.39 178.27 2i4m n LYS 354 N 1.41 0.65 -1.71 3.23 4.81 -1.26 -4.54 118.16 120.74 2i4m n LYS 354 Ca 0.17 -2.18 -0.42 0.00 -0.87 0.00 0.00 58.31 55.01 2i4m n LYS 354 Cb 0.60 -1.45 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 2i4m n LYS 354 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2i4m s GLN 355 N 0.40 4.14 0.00 1.64 2.00 -1.26 -2.71 119.66 123.87 2i4m s GLN 355 Ca 0.32 2.59 0.00 0.00 -2.00 0.00 0.00 55.36 56.27 2i4m s GLN 355 Cb 0.14 -3.72 0.00 0.00 0.80 0.00 0.00 33.01 30.22 2i4m s GLN 355 CO -0.17 -0.86 0.00 0.41 -0.50 0.00 0.00 175.29 174.17 2i4m n GLY 356 N 4.29 1.84 3.64 2.59 0.00 -1.26 -5.04 105.19 111.25 2i4m n GLY 356 Ca 0.18 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2i4m n GLY 356 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i4m s ASP 357 N -0.29 6.19 0.46 1.61 2.15 -1.10 -4.90 116.67 120.78 2i4m s ASP 357 Ca 0.00 2.36 0.13 0.00 0.43 0.00 0.00 52.55 55.47 2i4m s ASP 357 Cb 0.00 -2.53 1.04 0.00 -0.30 0.00 0.00 42.92 41.14 2i4m s ASP 357 CO 0.00 -1.31 2.04 0.00 -0.17 0.00 0.00 175.17 175.74 2i4m h ALA 358 N 11.74 1.77 0.54 3.66 0.00 -1.97 -2.16 119.26 132.84 2i4m h ALA 358 Ca -0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2i4m h ALA 358 Cb 1.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2i4m h ALA 358 CO 0.95 0.17 -0.44 0.00 0.00 0.00 0.00 179.25 179.93 2i4m h ALA 359 N 1.84 -1.03 -0.16 0.00 0.00 -1.97 -1.64 119.26 116.30 2i4m h ALA 359 Ca 0.02 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2i4m h ALA 359 Cb 0.17 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2i4m h ALA 359 CO 0.01 -1.11 -0.71 1.79 0.00 0.00 0.00 179.25 179.22 2i4m h THR 360 N -0.96 1.29 -0.23 0.00 1.35 -1.89 -2.80 112.91 109.66 2i4m h THR 360 Ca -0.06 -1.92 0.03 0.00 -0.55 0.00 0.00 66.41 63.91 2i4m h THR 360 Cb 0.82 1.96 -0.05 0.00 -1.73 0.00 0.00 68.15 69.15 2i4m h THR 360 CO -0.01 0.61 -0.37 0.44 -0.25 0.00 0.00 175.52 175.94 2i4m h ASP 361 N 0.50 -1.22 -0.95 5.36 5.19 -1.40 0.37 116.42 124.28 2i4m h ASP 361 Ca -0.04 0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 2i4m h ASP 361 Cb 1.35 0.49 -0.06 0.00 0.18 0.00 0.00 39.33 41.29 2i4m h ASP 361 CO 0.15 -0.28 0.61 0.00 -3.12 0.00 0.00 179.24 176.60 2i4m h ALA 362 N -0.52 1.48 -0.39 3.45 0.00 -1.37 0.18 119.26 122.09 2i4m h ALA 362 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2i4m h ALA 362 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2i4m h ALA 362 CO -0.37 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.36 2i4m h ALA 363 N 1.49 1.47 0.22 0.00 0.00 -1.07 -2.25 119.26 119.12 2i4m h ALA 363 Ca 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2i4m h ALA 363 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2i4m h ALA 363 CO -0.16 0.40 -0.10 0.00 0.00 0.00 0.00 179.25 179.38 2i4m h ASP 365 N -0.91 -1.25 -0.17 0.00 3.32 -0.81 0.84 116.42 117.44 2i4m h ASP 365 Ca -0.03 0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.34 2i4m h ASP 365 Cb 0.50 0.67 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2i4m h ASP 365 CO 0.05 -0.29 -0.05 -0.61 -1.72 0.00 0.00 179.24 176.61 2i4m h GLN 366 N -0.05 -0.02 -0.72 3.56 4.15 -1.51 0.30 115.11 120.82 2i4m h GLN 366 Ca 0.33 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.79 2i4m h GLN 366 Cb 0.60 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 2i4m h GLN 366 CO -0.89 -0.01 0.47 -0.07 -1.93 0.00 0.00 178.83 176.40 2i4m h LEU 367 N -0.02 0.73 0.23 -2.39 3.38 -0.93 0.10 115.31 116.41 2i4m h LEU 367 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2i4m h LEU 367 Cb 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2i4m h LEU 367 CO -0.18 0.49 -0.11 0.22 0.09 0.00 0.00 178.44 178.95 2i4m h TYR 368 N 0.84 -0.29 -0.42 1.13 3.20 0.18 -2.83 116.97 118.77 2i4m h TYR 368 Ca 0.29 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 2i4m h TYR 368 Cb 0.11 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2i4m h TYR 368 CO -0.00 -0.08 -0.16 0.00 -1.64 0.00 0.00 178.16 176.28 2i4m h ARG 369 N -0.45 0.86 -0.26 1.82 3.08 0.03 -2.76 114.38 116.70 2i4m h ARG 369 Ca -0.03 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 2i4m h ARG 369 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2i4m h ARG 369 CO 0.05 0.99 -0.08 0.93 -1.07 0.00 0.00 179.97 180.80 2i4m h GLU 370 N 0.68 0.50 -0.11 0.04 5.08 -0.90 -2.52 114.58 117.35 2i4m h GLU 370 Ca 0.10 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2i4m h GLU 370 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2i4m h GLU 370 CO 0.05 0.73 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.68 2i4m h LEU 371 N 0.24 0.14 0.00 1.33 3.38 -1.51 -0.58 115.31 118.31 2i4m h LEU 371 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2i4m h LEU 371 Cb 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2i4m h LEU 371 CO 0.03 0.22 0.00 -1.20 0.09 0.00 0.00 178.44 177.57 2i4m n SER 372 N -4.40 0.00 -0.41 -0.43 7.64 -1.04 -3.38 113.62 111.60 2i4m n SER 372 Ca -0.01 0.97 0.34 0.00 1.01 0.00 0.00 58.87 61.18 2i4m n SER 372 Cb 0.18 -0.47 0.62 0.00 -1.01 0.00 0.00 64.21 63.52 2i4m n SER 372 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i4m h ALA 373 N -2.00 2.55 0.00 -0.43 0.00 -1.21 0.50 119.26 118.67 2i4m h ALA 373 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2i4m h ALA 373 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2i4m h ALA 373 CO 0.00 -1.20 0.00 1.63 0.00 0.00 0.00 179.25 179.68 2i4m n LYS 374 N -4.82 0.86 -2.32 0.00 4.76 -0.25 -4.93 118.16 111.47 2i4m n LYS 374 Ca 0.37 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.76 2i4m n LYS 374 Cb 1.35 -1.08 0.01 0.00 -1.84 0.00 0.00 35.03 33.47 2i4m n LYS 374 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i4m n GLY 375 N 0.42 -1.07 3.64 0.72 0.00 0.17 -4.99 105.19 104.08 2i4m n GLY 375 Ca 0.03 0.73 -0.06 0.00 0.00 0.00 0.00 46.02 46.72 2i4m n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i4m s VAL 376 N -1.99 0.00 -0.24 1.61 1.01 -1.23 -4.88 120.40 114.68 2i4m s VAL 376 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 2i4m s VAL 376 Cb -0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2i4m s VAL 376 CO 0.47 0.00 1.58 -1.81 0.00 0.00 0.00 175.10 175.34 2i4m s ASP 377 N 0.80 6.40 -0.03 3.32 1.01 -1.26 -4.17 116.67 122.75 2i4m s ASP 377 Ca -0.03 1.53 0.04 0.00 0.71 0.00 0.00 52.55 54.80 2i4m s ASP 377 Cb -0.04 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 2i4m s ASP 377 CO -0.11 -1.25 -0.14 0.54 0.21 0.00 0.00 175.17 174.41 2i4m s VAL 378 N 5.16 1.21 -0.11 -1.27 0.11 -0.68 0.50 120.40 125.31 2i4m s VAL 378 Ca 0.69 -0.60 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 2i4m s VAL 378 Cb -0.23 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 2i4m s VAL 378 CO 0.29 0.35 -0.23 -0.22 -3.33 0.00 0.00 175.10 171.96 2i4m s LEU 379 N 0.02 2.08 -0.33 2.54 2.96 0.24 -2.20 118.68 123.99 2i4m s LEU 379 Ca -0.02 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2i4m s LEU 379 Cb -0.10 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.22 2i4m s LEU 379 CO 0.01 0.13 0.13 -0.47 -1.32 0.00 0.00 176.35 174.84 2i4m s TYR 380 N 0.49 3.21 -0.98 5.38 5.04 -0.19 0.92 117.35 131.22 2i4m s TYR 380 Ca -0.15 -1.04 -0.24 0.00 -2.44 0.00 0.00 57.07 53.20 2i4m s TYR 380 Cb -0.17 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.82 2i4m s TYR 380 CO 0.06 -0.62 1.67 0.34 -1.34 0.00 0.00 175.55 175.65 2i4m s ASP 381 N 1.50 5.93 -0.37 4.32 -1.08 0.52 -0.43 116.67 127.06 2i4m s ASP 381 Ca 0.01 -1.16 0.08 0.00 -0.52 0.00 0.00 52.55 50.96 2i4m s ASP 381 Cb -0.18 -2.57 0.72 0.00 -1.46 0.00 0.00 42.92 39.43 2i4m s ASP 381 CO 0.04 -2.03 1.84 -0.90 0.52 0.00 0.00 175.17 174.64 2i4m n ASP 382 N 11.05 4.40 -4.83 -0.34 3.85 -1.26 -3.18 116.55 126.24 2i4m n ASP 382 Ca 0.37 -3.38 -0.31 0.00 -0.71 0.00 0.00 54.79 50.76 2i4m n ASP 382 Cb 0.49 -0.78 0.05 0.00 -1.35 0.00 0.00 41.12 39.54 2i4m n ASP 382 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2i4m s THR 383 N -3.11 3.95 -1.81 2.12 -4.23 -1.26 -4.82 115.64 106.48 2i4m s THR 383 Ca 0.56 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2i4m s THR 383 Cb 0.45 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2i4m s THR 383 CO 0.12 -0.83 0.13 -0.67 -0.54 0.00 0.00 174.62 172.83 2i4m n ASP 384 N -3.12 0.00 -4.91 3.99 -0.08 -1.26 -4.75 116.55 106.42 2i4m n ASP 384 Ca 0.07 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.08 2i4m n ASP 384 Cb 0.54 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.01 2i4m n ASP 384 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2i4m s GLN 385 N -1.83 3.30 0.37 -0.67 -1.52 -1.26 -5.01 119.66 113.03 2i4m s GLN 385 Ca 0.00 0.10 0.04 0.00 -1.95 0.00 0.00 55.36 53.55 2i4m s GLN 385 Cb 0.00 -2.35 -0.01 0.00 -0.22 0.00 0.00 33.01 30.43 2i4m s GLN 385 CO 0.00 -0.38 0.53 1.03 -0.25 0.00 0.00 175.29 176.22 2i4m s ARG 386 N -4.82 3.16 0.20 2.91 0.52 -1.26 -4.75 118.95 114.91 2i4m s ARG 386 Ca 0.50 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.83 2i4m s ARG 386 Cb -0.10 -2.73 0.24 0.00 0.52 0.00 0.00 34.95 32.88 2i4m s ARG 386 CO 0.45 -0.01 1.67 0.00 0.02 0.00 0.00 175.30 177.43 2i4m h ALA 387 N 0.74 0.54 -0.53 2.13 0.00 -1.87 -0.77 119.26 119.50 2i4m h ALA 387 Ca -0.47 0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.71 2i4m h ALA 387 Cb 1.25 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 2i4m h ALA 387 CO 0.56 -0.39 -0.15 0.78 0.00 0.00 0.00 179.25 180.06 2i4m h GLY 388 N 0.12 0.36 0.86 0.00 0.00 -1.98 0.25 103.07 102.68 2i4m h GLY 388 Ca 0.29 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 2i4m h GLY 388 CO -0.47 -0.21 0.04 0.00 0.00 0.00 0.00 176.54 175.91 2i4m h ALA 389 N 1.50 0.33 -0.36 3.60 0.00 -1.58 -1.95 119.26 120.79 2i4m h ALA 389 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2i4m h ALA 389 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2i4m h ALA 389 CO -0.56 0.01 0.07 0.87 0.00 0.00 0.00 179.25 179.64 2i4m h LYS 390 N 0.22 0.53 0.11 0.00 1.57 -0.72 -1.52 116.57 116.77 2i4m h LYS 390 Ca 0.07 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2i4m h LYS 390 Cb 0.33 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2i4m h LYS 390 CO 0.00 0.51 -0.05 0.74 -0.57 0.00 0.00 179.45 180.08 2i4m h PHE 391 N 0.52 -0.14 -0.16 -1.35 0.04 -0.28 -1.74 116.94 113.84 2i4m h PHE 391 Ca 0.12 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2i4m h PHE 391 Cb 0.23 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2i4m h PHE 391 CO 0.01 -0.00 0.08 0.00 -0.60 0.00 0.00 178.31 177.80 2i4m h ALA 392 N 0.64 0.20 0.36 2.45 0.00 -0.98 -1.39 119.26 120.55 2i4m h ALA 392 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2i4m h ALA 392 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2i4m h ALA 392 CO 0.02 -0.24 -0.22 1.15 0.00 0.00 0.00 179.25 179.97 2i4m h THR 393 N 0.14 0.55 0.00 0.00 2.02 -1.35 -1.48 112.91 112.78 2i4m h THR 393 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2i4m h THR 393 Cb 0.11 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2i4m h THR 393 CO -0.01 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.84 2i4m h ALA 394 N 0.06 1.48 -0.04 6.16 0.00 -1.23 -0.34 119.26 125.34 2i4m h ALA 394 Ca -0.04 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 2i4m h ALA 394 Cb 0.45 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2i4m h ALA 394 CO 0.04 0.05 -0.89 -0.44 0.00 0.00 0.00 179.25 178.02 2i4m h ASP 395 N 0.00 0.69 0.00 0.00 3.32 -1.01 -3.28 116.42 116.14 2i4m h ASP 395 Ca -0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2i4m h ASP 395 Cb 0.11 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2i4m h ASP 395 CO 0.01 1.30 0.00 -0.11 -1.72 0.00 0.00 179.24 178.71 2i4m n LEU 396 N -3.82 0.03 0.00 1.55 7.94 -0.17 -3.10 117.00 119.42 2i4m n LEU 396 Ca -0.07 0.88 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 2i4m n LEU 396 Cb 0.80 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 44.28 2i4m n LEU 396 CO 0.52 -0.47 0.44 2.30 -1.11 0.00 0.00 177.39 179.07 2i4m n ILE 397 N -1.92 1.32 -3.36 1.96 -5.35 -1.00 -0.74 119.36 110.26 2i4m n ILE 397 Ca 0.00 0.40 -0.18 0.00 -0.27 0.00 0.00 62.75 62.70 2i4m n ILE 397 Cb 0.00 -1.40 0.08 0.00 -1.74 0.00 0.00 39.64 36.58 2i4m n ILE 397 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i4m n GLY 398 N -1.31 -0.33 3.74 3.28 0.00 -1.18 -4.82 105.19 104.57 2i4m n GLY 398 Ca 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2i4m n GLY 398 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4m s ILE 399 N -3.31 3.69 0.62 -0.61 -1.09 -1.26 -1.93 121.20 117.31 2i4m s ILE 399 Ca 0.18 1.44 0.33 0.00 -2.23 0.00 0.00 60.65 60.37 2i4m s ILE 399 Cb -0.08 -3.92 0.37 0.00 -1.58 0.00 0.00 42.46 37.25 2i4m s ILE 399 CO 0.66 0.24 2.14 -0.65 -1.23 0.00 0.00 174.94 176.10 2i4m h PRO 400 N 5.20 0.00 -3.45 2.79 0.11 -1.76 -3.40 132.00 131.49 2i4m h PRO 400 Ca -0.44 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.41 2i4m h PRO 400 Cb 1.21 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.01 2i4m h PRO 400 CO 0.74 0.00 -0.67 -1.58 -0.21 0.00 0.00 178.00 176.28 2i4m s TRP 401 N -4.43 -0.06 -0.02 0.65 0.52 -1.05 -1.56 118.94 113.00 2i4m s TRP 401 Ca -0.05 0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.34 2i4m s TRP 401 Cb 0.14 -0.12 -0.03 0.00 -1.15 0.00 0.00 33.47 32.30 2i4m s TRP 401 CO 0.47 -0.10 -0.03 -0.65 0.02 0.00 0.00 176.95 176.66 2i4m s GLN 402 N 0.84 2.76 -0.28 4.98 -0.21 -0.07 -1.37 119.66 126.32 2i4m s GLN 402 Ca -0.07 -0.59 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 2i4m s GLN 402 Cb -0.09 -2.64 0.04 0.00 1.00 0.00 0.00 33.01 31.32 2i4m s GLN 402 CO -0.03 0.64 -0.04 0.42 -2.12 0.00 0.00 175.29 174.16 2i4m s ILE 403 N -0.99 2.82 -0.63 1.08 1.01 0.21 -1.78 121.20 122.92 2i4m s ILE 403 Ca 0.17 -1.29 -0.21 0.00 0.00 0.00 0.00 60.65 59.32 2i4m s ILE 403 Cb -0.11 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.89 2i4m s ILE 403 CO 0.07 0.02 0.83 -1.00 0.00 0.00 0.00 174.94 174.86 2i4m s HIS 404 N 1.26 2.85 -0.18 3.97 3.76 -0.57 0.35 115.29 126.73 2i4m s HIS 404 Ca -0.04 -0.79 -0.07 0.00 -0.15 0.00 0.00 55.06 54.01 2i4m s HIS 404 Cb -0.19 -4.15 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 2i4m s HIS 404 CO -0.03 -1.46 0.06 0.08 -0.85 0.00 0.00 174.74 172.54 2i4m s VAL 405 N 3.31 4.74 0.15 -0.90 1.01 -0.54 -2.46 120.40 125.72 2i4m s VAL 405 Ca 0.17 -0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 2i4m s VAL 405 Cb -0.21 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.11 2i4m s VAL 405 CO 0.08 0.47 0.83 -0.83 0.00 0.00 0.00 175.10 175.65 2i4m s GLY 406 N 0.29 -0.31 0.37 4.51 0.00 -1.26 -2.17 107.32 108.75 2i4m s GLY 406 Ca 0.03 0.28 0.27 0.00 0.00 0.00 0.00 44.72 45.31 2i4m s GLY 406 CO 0.00 0.08 1.78 -0.56 0.00 0.00 0.00 173.10 174.40 2i4m h PRO 407 N 2.00 0.00 0.67 2.90 0.13 -1.95 0.13 132.00 135.87 2i4m h PRO 407 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 2i4m h PRO 407 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2i4m h PRO 407 CO 0.28 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 177.73 2i4m h ARG 408 N 0.00 -0.86 -0.05 0.86 3.08 -1.97 -1.86 114.38 113.58 2i4m h ARG 408 Ca 0.00 0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 2i4m h ARG 408 Cb 0.65 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2i4m h ARG 408 CO 0.00 -0.57 -0.39 0.78 -1.07 0.00 0.00 179.97 178.72 2i4m h GLY 409 N -1.01 0.12 2.00 0.04 0.00 -1.79 -3.28 103.07 99.15 2i4m h GLY 409 Ca -0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 2i4m h GLY 409 CO 0.15 0.10 -0.54 -2.00 0.00 0.00 0.00 176.54 174.25 2i4m h LEU 410 N 0.10 0.00 -0.66 3.11 5.85 -0.57 -0.20 115.31 122.95 2i4m h LEU 410 Ca 0.01 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2i4m h LEU 410 Cb 0.73 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 2i4m h LEU 410 CO 0.05 0.54 0.13 0.00 -0.34 0.00 0.00 178.44 178.83 2i4m h ALA 411 N 1.46 0.80 -0.13 1.25 0.00 -1.39 0.20 119.26 121.45 2i4m h ALA 411 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2i4m h ALA 411 Cb 0.99 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2i4m h ALA 411 CO 0.07 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.39 2i4m n GLU 412 N -5.15 1.71 -4.04 0.00 1.02 -0.87 -4.87 120.64 108.42 2i4m n GLU 412 Ca 0.11 -0.63 -0.31 0.00 -0.02 0.00 0.00 57.16 56.31 2i4m n GLU 412 Cb 0.38 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 2i4m n GLU 412 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2i4m n GLY 413 N 0.27 -0.40 3.18 0.62 0.00 0.70 -4.97 105.19 104.58 2i4m n GLY 413 Ca 0.06 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2i4m n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4m s LYS 414 N -6.70 0.86 0.05 1.61 1.02 -0.14 -2.27 119.74 114.17 2i4m s LYS 414 Ca 0.52 -1.32 -0.00 0.00 0.02 0.00 0.00 55.97 55.18 2i4m s LYS 414 Cb -0.27 -0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 36.70 2i4m s LYS 414 CO 0.88 0.01 -0.04 0.14 -0.92 0.00 0.00 175.35 175.42 2i4m s VAL 415 N -3.42 0.30 0.14 3.17 -7.23 -0.76 -2.80 120.40 109.80 2i4m s VAL 415 Ca 0.12 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 2i4m s VAL 415 Cb 0.04 -1.33 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 2i4m s VAL 415 CO -0.03 -0.88 0.44 -0.70 -0.31 0.00 0.00 175.10 173.61 2i4m s GLU 416 N -3.46 3.73 -0.15 4.82 2.12 -1.03 -1.86 118.70 122.87 2i4m s GLU 416 Ca 0.04 0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 2i4m s GLU 416 Cb 0.04 -2.85 0.04 0.00 0.26 0.00 0.00 34.13 31.62 2i4m s GLU 416 CO -0.07 0.46 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.88 2i4m s LEU 417 N -2.41 1.49 -0.19 2.70 2.96 0.27 -1.51 118.68 121.99 2i4m s LEU 417 Ca 0.40 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 2i4m s LEU 417 Cb -0.13 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2i4m s LEU 417 CO 0.21 -0.18 -0.00 -0.75 -1.32 0.00 0.00 176.35 174.31 2i4m s LYS 418 N 1.66 3.64 -0.45 1.98 2.20 -0.73 -2.78 119.74 125.27 2i4m s LYS 418 Ca 0.02 -0.52 -0.25 0.00 -0.36 0.00 0.00 55.97 54.86 2i4m s LYS 418 Cb -0.15 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2i4m s LYS 418 CO -0.08 0.05 0.87 0.50 -0.36 0.00 0.00 175.35 176.34 2i4m s ARG 419 N 0.89 3.53 0.39 4.03 3.52 -0.78 -0.89 118.95 129.63 2i4m s ARG 419 Ca 0.01 0.12 0.08 0.00 -0.13 0.00 0.00 55.73 55.80 2i4m s ARG 419 Cb -0.14 -3.91 0.82 0.00 -1.56 0.00 0.00 34.95 30.16 2i4m s ARG 419 CO 0.02 -1.15 1.99 -0.09 -0.81 0.00 0.00 175.30 175.26 2i4m h ARG 420 N 8.97 0.62 -0.86 5.12 9.65 -1.50 0.17 114.38 136.55 2i4m h ARG 420 Ca -0.24 -0.04 0.31 0.00 -1.10 0.00 0.00 59.98 58.91 2i4m h ARG 420 Cb 1.08 -0.14 -0.16 0.00 -1.39 0.00 0.00 29.97 29.36 2i4m h ARG 420 CO 1.00 0.41 0.28 0.45 2.80 0.00 0.00 179.97 184.91 2i4m n SER 421 N -4.47 0.13 0.00 -3.80 2.88 -1.26 -3.90 113.62 103.20 2i4m n SER 421 Ca 0.09 1.45 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 2i4m n SER 421 Cb 0.21 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2i4m n SER 421 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2i4m n ASP 422 N -5.08 0.00 0.00 -3.46 5.68 -1.01 -5.05 116.55 107.64 2i4m n ASP 422 Ca 0.28 -0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 2i4m n ASP 422 Cb 0.93 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 2i4m n ASP 422 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i4m n GLY 423 N 0.00 0.73 3.61 6.12 0.00 0.58 -5.02 105.19 111.20 2i4m n GLY 423 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2i4m n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4m n ALA 424 N -1.32 -0.92 -2.40 4.61 0.00 -1.25 -4.71 120.51 114.52 2i4m n ALA 424 Ca 0.00 0.50 -0.25 0.00 0.00 0.00 0.00 53.44 53.69 2i4m n ALA 424 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 2i4m n ALA 424 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i4m s ARG 425 N 1.04 2.29 0.00 0.00 0.52 -1.26 -1.86 118.95 119.68 2i4m s ARG 425 Ca 0.87 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 2i4m s ARG 425 Cb -0.99 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2i4m s ARG 425 CO 0.51 -0.30 0.00 -1.91 0.02 0.00 0.00 175.30 173.61 2i4m n GLU 426 N -1.46 0.00 -3.31 3.54 2.13 -1.12 -4.94 120.64 115.49 2i4m n GLU 426 Ca -0.02 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.42 2i4m n GLU 426 Cb 0.64 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.29 2i4m n GLU 426 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2i4m s ASN 427 N 0.00 6.84 0.09 4.31 0.01 -1.26 -0.56 114.94 124.36 2i4m s ASN 427 Ca 0.00 0.99 -0.17 0.00 -0.71 0.00 0.00 52.86 52.97 2i4m s ASN 427 Cb 0.00 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.38 2i4m s ASN 427 CO 0.00 0.11 0.42 -1.48 -1.51 0.00 0.00 177.10 174.64 2i4m s LEU 428 N -0.09 0.35 0.62 0.60 0.05 -0.78 -4.97 118.68 114.46 2i4m s LEU 428 Ca 0.28 -0.17 -0.18 0.00 0.05 0.00 0.00 54.13 54.11 2i4m s LEU 428 Cb -0.17 1.84 -0.05 0.00 -2.05 0.00 0.00 46.19 45.76 2i4m s LEU 428 CO 0.14 -0.78 0.76 0.00 -0.55 0.00 0.00 176.35 175.92 2i4m n ALA 429 N 0.07 -0.52 0.22 1.48 0.00 -1.26 -1.83 120.51 118.67 2i4m n ALA 429 Ca -0.17 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.35 2i4m n ALA 429 Cb 0.62 -1.98 0.71 0.00 0.00 0.00 0.00 19.45 18.80 2i4m n ALA 429 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2i4m h LEU 430 N 0.20 0.00 0.00 0.00 5.85 -1.79 -3.13 115.31 116.44 2i4m h LEU 430 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2i4m h LEU 430 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2i4m h LEU 430 CO 0.48 0.00 -0.19 0.00 -0.34 0.00 0.00 178.44 178.39 2i4m h ALA 431 N 1.81 0.00 0.00 1.25 0.00 -1.88 -3.40 119.26 117.04 2i4m h ALA 431 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2i4m h ALA 431 Cb 0.15 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2i4m h ALA 431 CO 0.00 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 2i4m n ASP 432 N -3.35 0.12 -0.04 0.00 3.85 -1.19 -3.31 116.55 112.63 2i4m n ASP 432 Ca -0.03 -0.45 -0.02 0.00 -0.71 0.00 0.00 54.79 53.58 2i4m n ASP 432 Cb 0.10 -0.06 -0.01 0.00 -1.35 0.00 0.00 41.12 39.80 2i4m n ASP 432 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 2i4m h VAL 433 N 0.00 0.00 -0.64 2.12 3.04 -1.76 -3.33 116.25 115.68 2i4m h VAL 433 Ca 0.00 -0.67 0.10 0.00 -1.01 0.00 0.00 66.70 65.12 2i4m h VAL 433 Cb 0.06 0.00 -0.11 0.00 -2.01 0.00 0.00 31.29 29.23 2i4m h VAL 433 CO 0.00 0.00 -0.42 0.58 -1.01 0.00 0.00 177.57 176.72 2i4m h VAL 434 N -0.67 0.09 -0.10 1.51 2.07 -1.83 0.18 116.25 117.50 2i4m h VAL 434 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2i4m h VAL 434 Cb 0.20 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2i4m h VAL 434 CO 0.00 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.85 2i4m h ALA 435 N 0.78 1.50 -0.01 1.67 0.00 -1.78 0.52 119.26 121.94 2i4m h ALA 435 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2i4m h ALA 435 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2i4m h ALA 435 CO -0.73 -0.32 -0.17 -2.13 0.00 0.00 0.00 179.25 175.90 2i4m n ARG 436 N -3.24 0.74 -0.00 0.00 0.63 0.61 -3.63 116.66 111.77 2i4m n ARG 436 Ca 0.00 -0.34 0.04 0.00 -0.92 0.00 0.00 57.85 56.63 2i4m n ARG 436 Cb 0.35 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.72 2i4m n ARG 436 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2i4m n LEU 437 N -0.83 0.34 -0.32 6.15 4.77 0.12 -5.11 117.00 122.11 2i4m n LEU 437 Ca 0.13 -0.45 0.04 0.00 -0.03 0.00 0.00 56.01 55.71 2i4m n LEU 437 Cb 0.31 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2i4m n LEU 437 CO 0.25 0.08 0.38 0.35 -1.33 0.00 0.00 177.39 177.12