#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hii h ARG 28 N 0.00 0.00 -0.18 -0.52 -0.00 -2.03 -3.08 114.38 108.57 3hii h ARG 28 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.43 3hii h ARG 28 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 3hii h ARG 28 CO 0.00 0.19 -0.12 0.87 0.00 0.00 0.00 179.97 180.91 3hii h LYS 29 N 0.00 0.29 0.00 0.04 1.57 -2.02 -2.76 116.57 113.69 3hii h LYS 29 Ca -0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3hii h LYS 29 Cb 0.47 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3hii h LYS 29 CO 0.02 0.41 -0.01 0.00 -0.57 0.00 0.00 179.45 179.31 3hii h ALA 30 N 1.61 1.17 -0.64 3.86 0.00 -1.93 -2.38 119.26 120.95 3hii h ALA 30 Ca 0.06 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.15 3hii h ALA 30 Cb 0.38 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hii h ALA 30 CO 0.02 0.01 0.55 0.78 0.00 0.00 0.00 179.25 180.61 3hii h GLY 31 N 0.14 0.00 1.74 0.00 0.00 -1.67 -0.48 103.07 102.80 3hii h GLY 31 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3hii h GLY 31 CO 0.00 0.00 0.14 -0.24 0.00 0.00 0.00 176.54 176.44 3hii h VAL 32 N 0.00 1.02 -0.02 4.60 3.04 -1.65 -1.60 116.25 121.64 3hii h VAL 32 Ca 0.30 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 3hii h VAL 32 Cb 1.41 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 3hii h VAL 32 CO -0.00 0.04 -0.04 0.49 -1.01 0.00 0.00 177.57 177.05 3hii n PHE 33 N -4.50 0.00 -2.69 3.17 3.72 -0.19 -4.81 117.46 112.16 3hii n PHE 33 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 3hii n PHE 33 Cb 0.12 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 3hii n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3hii s SER 34 N -2.07 7.12 0.91 4.37 1.04 -0.60 -4.55 113.70 119.91 3hii s SER 34 Ca 0.34 1.92 -0.11 0.00 0.48 0.00 0.00 55.95 58.58 3hii s SER 34 Cb 0.21 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.88 3hii s SER 34 CO 0.36 -0.23 1.11 -1.81 0.98 0.00 0.00 173.24 173.64 3hii s ASP 35 N -1.60 3.14 0.28 7.02 1.01 -1.26 -4.91 116.67 120.36 3hii s ASP 35 Ca 0.53 1.92 -0.29 0.00 0.71 0.00 0.00 52.55 55.42 3hii s ASP 35 Cb -0.20 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.17 3hii s ASP 35 CO 0.25 -2.92 1.25 -0.76 0.21 0.00 0.00 175.17 173.20 3hii s LEU 36 N -6.46 4.46 0.79 1.23 1.43 -1.26 -5.00 118.68 113.87 3hii s LEU 36 Ca 0.65 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 56.14 3hii s LEU 36 Cb -0.21 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.44 3hii s LEU 36 CO 0.58 -0.42 1.11 -0.94 0.23 0.00 0.00 176.35 176.91 3hii s SER 37 N -0.39 4.57 0.25 2.29 1.04 -1.26 -4.79 113.70 115.40 3hii s SER 37 Ca 0.50 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 58.08 3hii s SER 37 Cb -0.37 -1.90 0.47 0.00 0.10 0.00 0.00 66.02 64.33 3hii s SER 37 CO 0.46 -1.90 1.72 -1.13 0.98 0.00 0.00 173.24 173.37 3hii h ASN 38 N -1.04 0.26 -0.26 7.02 -1.24 -1.95 -0.45 115.58 117.91 3hii h ASN 38 Ca -0.47 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.66 3hii h ASN 38 Cb 1.28 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.41 3hii h ASN 38 CO 0.61 0.08 0.16 1.56 -1.29 0.00 0.00 177.43 178.56 3hii h GLN 39 N 0.42 0.34 -0.59 6.67 1.08 -1.97 -2.07 115.11 119.01 3hii h GLN 39 Ca 0.42 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.50 3hii h GLN 39 Cb 0.66 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 3hii h GLN 39 CO -0.42 0.25 -0.02 0.93 -0.95 0.00 0.00 178.83 178.62 3hii h GLU 40 N 0.34 1.05 -0.26 1.46 5.08 -1.78 -0.29 114.58 120.17 3hii h GLU 40 Ca 0.09 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3hii h GLU 40 Cb -0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3hii h GLU 40 CO -0.02 1.04 0.06 -0.07 -1.00 0.00 0.00 179.01 179.02 3hii h LEU 41 N 0.94 0.02 -0.80 1.33 3.38 -1.01 -0.70 115.31 118.48 3hii h LEU 41 Ca 0.16 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hii h LEU 41 Cb 0.58 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3hii h LEU 41 CO 0.03 0.05 0.49 0.11 0.09 0.00 0.00 178.44 179.21 3hii h LYS 42 N 0.16 1.08 -0.79 1.13 1.57 -1.14 -0.35 116.57 118.23 3hii h LYS 42 Ca 0.12 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3hii h LYS 42 Cb 0.12 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3hii h LYS 42 CO -0.16 0.75 0.38 0.00 -0.57 0.00 0.00 179.45 179.86 3hii h ALA 43 N 1.26 1.18 -0.12 3.86 0.00 -0.58 0.14 119.26 125.00 3hii h ALA 43 Ca 0.29 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hii h ALA 43 Cb -0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hii h ALA 43 CO -0.06 0.63 -0.16 0.28 0.00 0.00 0.00 179.25 179.94 3hii h VAL 44 N 1.13 1.37 -0.83 0.00 2.07 -0.81 -2.08 116.25 117.09 3hii h VAL 44 Ca 0.27 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.44 3hii h VAL 44 Cb 0.11 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3hii h VAL 44 CO -0.04 0.40 0.55 -0.74 0.02 0.00 0.00 177.57 177.76 3hii h HIS 45 N -0.08 1.04 -0.46 1.57 6.17 -0.86 -1.12 115.15 121.42 3hii h HIS 45 Ca 0.01 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.09 3hii h HIS 45 Cb 0.71 -0.35 -0.02 0.00 2.52 0.00 0.00 27.41 30.27 3hii h HIS 45 CO 0.09 0.65 0.16 1.03 0.71 0.00 0.00 177.93 180.58 3hii h SER 46 N 1.12 0.65 -0.60 3.26 0.87 -0.74 -0.88 113.55 117.23 3hii h SER 46 Ca 0.30 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3hii h SER 46 Cb -0.12 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 3hii h SER 46 CO -0.07 0.66 0.39 0.15 -0.53 0.00 0.00 176.83 177.43 3hii h PHE 47 N 0.60 0.77 -0.40 2.24 3.57 -1.02 -0.05 116.94 122.64 3hii h PHE 47 Ca 0.15 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3hii h PHE 47 Cb 0.23 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3hii h PHE 47 CO 0.01 0.50 0.17 -0.07 -2.23 0.00 0.00 178.31 176.68 3hii h LEU 48 N 0.82 0.55 -2.07 0.59 3.38 -1.02 -2.66 115.31 114.90 3hii h LEU 48 Ca 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hii h LEU 48 Cb -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3hii h LEU 48 CO -0.05 0.56 -0.08 -0.50 0.09 0.00 0.00 178.44 178.46 3hii h TRP 49 N 0.51 0.00 0.00 1.13 4.06 -0.79 -2.48 115.95 118.37 3hii h TRP 49 Ca 0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 3hii h TRP 49 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 3hii h TRP 49 CO -0.00 0.08 0.00 0.66 -3.56 0.00 0.00 178.44 175.62 3hii h SER 50 N 0.00 0.00 -1.84 -3.49 4.64 -0.64 -3.38 113.55 108.83 3hii h SER 50 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.67 3hii h SER 50 Cb 0.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.21 3hii h SER 50 CO 0.01 0.00 1.12 -0.54 -0.87 0.00 0.00 176.83 176.55 3hii s LYS 51 N -3.31 3.57 0.57 4.77 -0.14 -0.94 -4.88 119.74 119.37 3hii s LYS 51 Ca 0.06 -1.41 0.25 0.00 -1.36 0.00 0.00 55.97 53.51 3hii s LYS 51 Cb 0.09 -5.07 1.64 0.00 -1.68 0.00 0.00 37.83 32.82 3hii s LYS 51 CO 0.53 -1.98 2.22 0.87 -0.76 0.00 0.00 175.35 176.23 3hii h LYS 52 N 9.32 0.00 0.00 1.68 6.56 -1.85 -1.83 116.57 130.45 3hii h LYS 52 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3hii h LYS 52 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 3hii h LYS 52 CO 1.26 0.00 0.00 1.05 -2.06 0.00 0.00 179.45 179.70 3hii h GLU 53 N 0.00 0.00 0.00 3.15 9.09 -1.95 -2.27 114.58 122.60 3hii h GLU 53 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hii h GLU 53 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3hii h GLU 53 CO 0.00 0.00 0.00 -0.07 0.05 0.00 0.00 179.01 178.99 3hii h LEU 54 N 0.00 0.00 -1.54 3.06 3.38 -1.68 -3.47 115.31 115.06 3hii h LEU 54 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3hii h LEU 54 Cb 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3hii h LEU 54 CO 0.00 0.00 -0.84 0.54 0.09 0.00 0.00 178.44 178.23 3hii n ARG 55 N -2.35 -4.09 -2.58 1.13 1.74 -0.86 -4.78 116.66 104.88 3hii n ARG 55 Ca 0.05 0.49 -0.41 0.00 -0.77 0.00 0.00 57.85 57.20 3hii n ARG 55 Cb 0.40 -4.97 -0.04 0.00 -1.02 0.00 0.00 32.46 26.82 3hii n ARG 55 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hii s LEU 56 N -7.03 4.51 0.33 0.55 1.43 -1.26 -4.21 118.68 113.00 3hii s LEU 56 Ca 0.27 2.02 0.10 0.00 -1.03 0.00 0.00 54.13 55.50 3hii s LEU 56 Cb -0.14 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 3hii s LEU 56 CO 0.87 -0.15 -0.13 -1.10 0.23 0.00 0.00 176.35 176.07 3hii s GLN 57 N -0.41 1.78 0.57 1.70 -0.21 0.92 -5.00 119.66 119.00 3hii s GLN 57 Ca 0.48 -1.89 -0.19 0.00 0.02 0.00 0.00 55.36 53.77 3hii s GLN 57 Cb -0.28 -1.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.97 3hii s GLN 57 CO 0.34 0.19 1.20 -2.14 -2.12 0.00 0.00 175.29 172.77 3hii s PRO 58 N -3.58 3.11 0.48 2.91 0.02 -1.26 -4.48 135.00 132.20 3hii s PRO 58 Ca 0.32 1.82 0.16 0.00 0.02 0.00 0.00 61.00 63.32 3hii s PRO 58 Cb 0.00 -2.01 1.13 0.00 0.02 0.00 0.00 34.50 33.64 3hii s PRO 58 CO 0.16 -1.09 2.05 0.66 -0.33 0.00 0.00 177.00 178.45 3hii h SER 59 N 1.08 0.00 0.81 2.53 4.64 -1.90 -1.94 113.55 118.78 3hii h SER 59 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3hii h SER 59 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3hii h SER 59 CO 0.56 0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 175.09 3hii n SER 60 N -4.37 0.01 -4.68 4.97 3.41 -1.26 -4.46 113.62 107.25 3hii n SER 60 Ca -0.03 0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 58.66 3hii n SER 60 Cb 0.19 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3hii n SER 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hii n THR 61 N -1.51 0.56 -1.85 6.66 -1.04 -0.73 -4.85 114.28 111.53 3hii n THR 61 Ca 0.06 -0.10 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 3hii n THR 61 Cb 0.28 -2.17 -0.01 0.00 -1.82 0.00 0.00 70.33 66.60 3hii n THR 61 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hii n THR 62 N 5.10 5.04 -3.90 12.58 -2.24 -1.26 -4.79 114.28 124.81 3hii n THR 62 Ca 0.19 -3.96 -0.11 0.00 -2.27 0.00 0.00 64.05 57.91 3hii n THR 62 Cb 0.38 -2.17 -0.12 0.00 -2.10 0.00 0.00 70.33 66.32 3hii n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hii s THR 63 N -0.53 0.05 0.04 4.28 -1.32 -1.26 -4.97 115.64 111.93 3hii s THR 63 Ca 0.57 -0.42 0.13 0.00 -1.21 0.00 0.00 61.69 60.77 3hii s THR 63 Cb 0.19 -0.21 -0.00 0.00 -1.51 0.00 0.00 72.50 70.97 3hii s THR 63 CO -0.09 -0.23 1.48 0.24 -2.21 0.00 0.00 174.62 173.81 3hii h MET 64 N 5.29 0.00 -3.49 7.08 0.00 -1.87 -3.37 114.93 118.56 3hii h MET 64 Ca -0.28 0.00 -0.72 0.00 0.00 0.00 0.00 59.70 58.70 3hii h MET 64 Cb 1.21 0.00 -0.08 0.00 0.00 0.00 0.00 31.60 32.73 3hii h MET 64 CO 0.44 0.62 2.77 0.00 0.00 0.00 0.00 176.91 180.74 3hii n ALA 65 N -2.29 5.97 -2.63 6.32 0.00 -1.23 -4.49 120.51 122.16 3hii n ALA 65 Ca 0.01 -4.01 -0.09 0.00 0.00 0.00 0.00 53.44 49.35 3hii n ALA 65 Cb 0.73 -3.22 -0.09 0.00 0.00 0.00 0.00 19.45 16.86 3hii n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3hii s LYS 66 N 1.48 0.61 -0.21 0.00 -2.85 -1.26 -4.40 119.74 113.12 3hii s LYS 66 Ca 0.49 -0.83 -0.14 0.00 -1.00 0.00 0.00 55.97 54.49 3hii s LYS 66 Cb 0.14 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 3hii s LYS 66 CO -0.05 -0.15 0.31 -0.80 0.10 0.00 0.00 175.35 174.75 3hii s ASN 67 N -2.30 6.33 0.02 0.03 0.01 -1.26 -1.12 114.94 116.65 3hii s ASN 67 Ca -0.03 0.37 -0.07 0.00 -0.71 0.00 0.00 52.86 52.43 3hii s ASN 67 Cb 0.01 -2.18 -0.00 0.00 0.41 0.00 0.00 41.25 39.48 3hii s ASN 67 CO -0.06 -0.01 0.13 0.42 -1.51 0.00 0.00 177.10 176.07 3hii s THR 68 N 1.15 0.10 -0.40 1.60 -4.23 -0.56 -0.06 115.64 113.24 3hii s THR 68 Ca 0.15 -0.82 -0.21 0.00 -1.18 0.00 0.00 61.69 59.63 3hii s THR 68 Cb -0.14 -0.59 0.02 0.00 1.34 0.00 0.00 72.50 73.13 3hii s THR 68 CO 0.06 -0.45 0.68 -0.69 -0.54 0.00 0.00 174.62 173.69 3hii s VAL 69 N -1.80 4.80 -0.02 2.29 1.01 -1.26 -0.38 120.40 125.03 3hii s VAL 69 Ca -0.12 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 3hii s VAL 69 Cb -0.06 -4.18 -0.30 0.00 0.00 0.00 0.00 36.38 31.84 3hii s VAL 69 CO -0.00 -0.51 0.76 0.15 0.00 0.00 0.00 175.10 175.49 3hii h PHE 70 N 8.72 0.62 -3.24 5.22 3.57 -0.72 -3.44 116.94 127.66 3hii h PHE 70 Ca -0.26 -0.45 -0.18 0.00 3.53 0.00 0.00 57.97 60.61 3hii h PHE 70 Cb 1.10 -0.02 -0.26 0.00 2.79 0.00 0.00 35.95 39.55 3hii h PHE 70 CO 0.76 1.55 -0.49 -1.17 -2.23 0.00 0.00 178.31 176.72 3hii s LEU 71 N -7.17 1.18 -0.05 0.59 2.96 -1.19 -0.28 118.68 114.73 3hii s LEU 71 Ca -0.13 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 3hii s LEU 71 Cb 0.06 0.67 0.02 0.00 0.50 0.00 0.00 46.19 47.44 3hii s LEU 71 CO 0.86 -0.08 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.15 3hii s ILE 72 N 0.20 0.46 0.15 6.68 1.01 -0.97 -0.58 121.20 128.14 3hii s ILE 72 Ca -0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 3hii s ILE 72 Cb -0.02 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.95 3hii s ILE 72 CO -0.00 0.22 0.38 -1.83 0.00 0.00 0.00 174.94 173.71 3hii s GLU 73 N 1.13 1.13 0.32 2.79 -1.05 -0.62 -4.25 118.70 118.15 3hii s GLU 73 Ca -0.08 -0.87 -0.29 0.00 -0.15 0.00 0.00 54.97 53.58 3hii s GLU 73 Cb -0.14 0.45 -0.10 0.00 -0.44 0.00 0.00 34.13 33.90 3hii s GLU 73 CO -0.01 -0.44 1.38 1.41 0.95 0.00 0.00 175.26 178.55 3hii s MET 74 N -3.86 4.28 -0.33 -4.83 -2.45 -1.26 0.63 119.30 111.47 3hii s MET 74 Ca 0.07 2.32 -0.07 0.00 -1.25 0.00 0.00 55.69 56.76 3hii s MET 74 Cb 0.02 -3.06 0.03 0.00 1.25 0.00 0.00 34.83 33.07 3hii s MET 74 CO -0.07 -0.33 0.11 -1.17 1.05 0.00 0.00 175.02 174.61 3hii s LEU 75 N -1.44 4.24 0.26 4.11 2.96 -0.61 -4.63 118.68 123.57 3hii s LEU 75 Ca 0.53 -1.03 -0.31 0.00 -0.22 0.00 0.00 54.13 53.10 3hii s LEU 75 Cb -0.42 -1.88 -0.13 0.00 0.50 0.00 0.00 46.19 44.26 3hii s LEU 75 CO 0.52 -0.30 1.49 -0.11 -1.32 0.00 0.00 176.35 176.63 3hii n LEU 76 N 4.84 3.63 -4.64 -0.68 7.94 -1.26 -4.35 117.00 122.48 3hii n LEU 76 Ca -0.13 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.63 3hii n LEU 76 Cb 0.45 -1.50 0.20 0.00 0.53 0.00 0.00 43.42 43.11 3hii n LEU 76 CO 0.32 -0.22 0.62 -2.84 -1.11 0.00 0.00 177.39 174.16 3hii s PRO 77 N -0.45 -0.08 0.37 1.96 0.02 -1.26 -4.97 135.00 130.59 3hii s PRO 77 Ca 0.66 0.41 -0.28 0.00 0.02 0.00 0.00 61.00 61.81 3hii s PRO 77 Cb -0.58 -1.69 -0.11 0.00 0.02 0.00 0.00 34.50 32.14 3hii s PRO 77 CO 0.49 -3.05 1.43 0.15 -0.33 0.00 0.00 177.00 175.69 3hii s LYS 78 N -5.00 4.17 0.25 5.54 1.02 -1.26 -4.85 119.74 119.61 3hii s LYS 78 Ca 0.67 2.47 -0.05 0.00 0.02 0.00 0.00 55.97 59.07 3hii s LYS 78 Cb -0.18 -2.99 0.32 0.00 -0.52 0.00 0.00 37.83 34.46 3hii s LYS 78 CO 0.58 -0.44 1.89 -0.22 -0.92 0.00 0.00 175.35 176.23 3hii h LYS 79 N 3.09 1.12 -0.60 1.68 3.64 -1.98 -0.62 116.57 122.89 3hii h LYS 79 Ca -0.50 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 58.93 3hii h LYS 79 Cb 1.24 -0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.71 3hii h LYS 79 CO 0.64 0.74 0.10 -0.92 -2.27 0.00 0.00 179.45 177.74 3hii h TYR 80 N 1.15 0.14 -0.06 1.91 3.20 -1.99 0.70 116.97 122.02 3hii h TYR 80 Ca 0.38 0.04 -0.20 0.00 3.14 0.00 0.00 58.73 62.08 3hii h TYR 80 Cb 0.05 0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.36 3hii h TYR 80 CO -0.01 -0.06 -0.76 0.45 -1.64 0.00 0.00 178.16 176.13 3hii h HIS 81 N 0.22 0.88 -0.24 -3.82 3.86 -1.74 -2.63 115.15 111.68 3hii h HIS 81 Ca 0.32 -0.44 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3hii h HIS 81 Cb 0.48 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3hii h HIS 81 CO -0.27 1.26 0.11 0.28 0.86 0.00 0.00 177.93 180.16 3hii h VAL 82 N 0.25 0.98 -0.54 2.45 2.07 -0.82 -1.17 116.25 119.47 3hii h VAL 82 Ca -0.08 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 3hii h VAL 82 Cb 1.42 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3hii h VAL 82 CO 0.15 0.04 0.06 -0.07 0.02 0.00 0.00 177.57 177.78 3hii h LEU 83 N 0.24 0.82 -1.15 2.57 3.38 -0.90 0.26 115.31 120.54 3hii h LEU 83 Ca 0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3hii h LEU 83 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3hii h LEU 83 CO -0.08 0.85 -0.09 0.03 0.09 0.00 0.00 178.44 179.24 3hii h ARG 84 N 0.82 0.49 0.10 1.13 3.08 -1.25 0.53 114.38 119.28 3hii h ARG 84 Ca 0.17 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hii h ARG 84 Cb 0.40 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3hii h ARG 84 CO 0.01 0.59 -0.05 0.35 -1.07 0.00 0.00 179.97 179.80 3hii h PHE 85 N 0.46 -0.12 -0.30 3.04 3.57 -0.46 -1.80 116.94 121.33 3hii h PHE 85 Ca 0.09 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3hii h PHE 85 Cb 0.44 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3hii h PHE 85 CO 0.01 0.22 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.03 3hii h LEU 86 N -0.48 0.70 0.00 0.59 3.38 -0.26 -3.30 115.31 115.94 3hii h LEU 86 Ca -0.01 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hii h LEU 86 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hii h LEU 86 CO 0.02 0.99 -1.43 0.47 0.09 0.00 0.00 178.44 178.58 3hii n ASP 87 N -4.33 1.32 -0.07 -0.43 8.00 0.18 -4.67 116.55 116.55 3hii n ASP 87 Ca -0.03 -0.22 0.02 0.00 0.71 0.00 0.00 54.79 55.26 3hii n ASP 87 Cb 0.42 1.51 0.03 0.00 -0.02 0.00 0.00 41.12 43.06 3hii n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hii n LYS 88 N -1.85 1.54 -0.99 -1.24 4.76 -0.76 -5.01 118.16 114.61 3hii n LYS 88 Ca -0.01 -1.41 0.00 0.00 -2.87 0.00 0.00 58.31 54.02 3hii n LYS 88 Cb 0.35 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 3hii n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hii n GLY 89 N -0.50 0.26 3.83 0.72 0.00 -1.10 -4.95 105.19 103.46 3hii n GLY 89 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3hii n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hii s GLU 90 N -0.98 0.34 0.62 1.61 0.41 -0.75 -4.98 118.70 114.97 3hii s GLU 90 Ca 0.00 -0.22 -0.18 0.00 -0.41 0.00 0.00 54.97 54.16 3hii s GLU 90 Cb 0.00 -1.79 -0.02 0.00 -1.78 0.00 0.00 34.13 30.54 3hii s GLU 90 CO 0.00 -2.65 1.20 -0.98 -0.49 0.00 0.00 175.26 172.34 3hii s ARG 91 N -5.70 2.80 0.18 1.61 1.70 -1.26 -4.39 118.95 113.90 3hii s ARG 91 Ca 0.71 1.77 -0.33 0.00 -0.47 0.00 0.00 55.73 57.41 3hii s ARG 91 Cb -0.07 -1.91 -0.14 0.00 -0.57 0.00 0.00 34.95 32.26 3hii s ARG 91 CO 0.53 -1.32 1.54 1.58 -1.08 0.00 0.00 175.30 176.55 3hii n HIS 92 N -1.88 2.25 -1.77 5.89 -0.00 -1.26 -4.48 115.22 113.97 3hii n HIS 92 Ca 0.13 0.31 -0.34 0.00 0.46 0.00 0.00 57.72 58.28 3hii n HIS 92 Cb 0.50 -2.52 0.05 0.00 -0.12 0.00 0.00 29.99 27.90 3hii n HIS 92 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3hii s PRO 93 N 0.62 2.68 0.31 1.57 0.02 -1.26 -4.95 135.00 133.98 3hii s PRO 93 Ca 0.77 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 3hii s PRO 93 Cb -0.68 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 31.82 3hii s PRO 93 CO 0.40 -1.39 1.59 0.28 -0.33 0.00 0.00 177.00 177.55 3hii n VAL 94 N -2.19 1.18 -3.51 3.83 0.31 -1.26 -4.98 118.33 111.71 3hii n VAL 94 Ca 0.12 -0.30 -0.37 0.00 -0.01 0.00 0.00 64.34 63.79 3hii n VAL 94 Cb 0.51 -1.98 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 3hii n VAL 94 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3hii s ARG 95 N -0.77 4.20 0.16 5.55 3.52 -1.26 -4.76 118.95 125.58 3hii s ARG 95 Ca 0.62 0.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 3hii s ARG 95 Cb -0.49 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 3hii s ARG 95 CO 0.51 0.30 -0.01 -1.21 -0.81 0.00 0.00 175.30 174.08 3hii s GLU 96 N 0.27 1.04 -0.01 5.12 2.02 -1.26 -0.88 118.70 124.99 3hii s GLU 96 Ca 0.19 -1.49 0.08 0.00 0.02 0.00 0.00 54.97 53.77 3hii s GLU 96 Cb -0.14 -0.21 -0.02 0.00 0.10 0.00 0.00 34.13 33.87 3hii s GLU 96 CO 0.06 -0.12 -0.25 0.00 0.02 0.00 0.00 175.26 174.97 3hii s ALA 97 N -3.69 2.05 0.07 5.21 0.00 0.19 -1.57 121.76 124.03 3hii s ALA 97 Ca 0.22 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 3hii s ALA 97 Cb 0.06 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 3hii s ALA 97 CO 0.02 0.50 1.02 0.50 0.00 0.00 0.00 175.76 177.81 3hii s ARG 98 N -0.63 4.59 -0.12 0.00 3.52 0.20 -0.34 118.95 126.18 3hii s ARG 98 Ca 0.10 1.52 0.01 0.00 -0.13 0.00 0.00 55.73 57.22 3hii s ARG 98 Cb -0.09 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3hii s ARG 98 CO -0.01 0.02 -0.12 0.00 -0.81 0.00 0.00 175.30 174.39 3hii s ALA 99 N 0.52 1.58 -0.27 6.12 0.00 -0.17 -1.58 121.76 127.95 3hii s ALA 99 Ca 0.51 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 3hii s ALA 99 Cb -0.24 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 3hii s ALA 99 CO 0.30 -0.28 0.14 0.08 0.00 0.00 0.00 175.76 175.99 3hii s VAL 100 N 1.38 4.77 -0.20 0.00 1.01 0.25 -0.83 120.40 126.77 3hii s VAL 100 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 3hii s VAL 100 Cb -0.13 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3hii s VAL 100 CO -0.06 0.25 -0.04 -0.63 0.00 0.00 0.00 175.10 174.61 3hii s ILE 101 N 1.67 3.56 -0.41 2.22 1.01 -0.18 0.08 121.20 129.15 3hii s ILE 101 Ca 0.06 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 3hii s ILE 101 Cb -0.16 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.73 3hii s ILE 101 CO 0.07 0.44 1.03 -0.36 0.00 0.00 0.00 174.94 176.11 3hii s PHE 102 N 1.13 2.98 -1.14 3.97 0.40 0.48 -1.77 117.98 124.04 3hii s PHE 102 Ca 0.02 0.77 -0.09 0.00 -0.60 0.00 0.00 56.93 57.03 3hii s PHE 102 Cb -0.15 -3.97 0.26 0.00 0.51 0.00 0.00 43.02 39.68 3hii s PHE 102 CO -0.00 -1.01 1.26 1.19 0.70 0.00 0.00 175.22 177.36 3hii n PHE 103 N 7.21 4.69 0.29 0.36 3.72 0.78 -1.49 117.46 133.03 3hii n PHE 103 Ca 0.09 -3.58 0.12 0.00 -0.05 0.00 0.00 57.45 54.03 3hii n PHE 103 Cb 0.48 -1.73 0.15 0.00 -0.94 0.00 0.00 39.48 37.45 3hii n PHE 103 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hii h GLY 104 N 7.01 0.00 -6.13 1.37 0.00 -1.35 -2.18 103.07 101.80 3hii h GLY 104 Ca 0.21 0.00 -0.79 0.00 0.00 0.00 0.00 47.33 46.76 3hii h GLY 104 CO 1.13 0.00 1.50 1.34 0.00 0.00 0.00 176.54 180.51 3hii n ASP 105 N -2.72 7.40 -3.65 0.19 2.03 -1.21 -4.03 116.55 114.56 3hii n ASP 105 Ca 0.03 -3.47 -0.05 0.00 0.52 0.00 0.00 54.79 51.82 3hii n ASP 105 Cb 0.51 -1.25 -0.02 0.00 -0.72 0.00 0.00 41.12 39.64 3hii n ASP 105 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hii s GLN 106 N -2.98 0.96 0.19 -0.67 -2.07 -1.26 -4.92 119.66 108.91 3hii s GLN 106 Ca 0.43 -0.48 -0.10 0.00 -1.82 0.00 0.00 55.36 53.40 3hii s GLN 106 Cb 0.17 0.37 0.11 0.00 -1.09 0.00 0.00 33.01 32.57 3hii s GLN 106 CO -0.09 -0.43 1.75 1.49 -1.32 0.00 0.00 175.29 176.68 3hii h GLU 107 N 2.00 1.04 -3.41 9.60 4.81 -1.95 -3.33 114.58 123.35 3hii h GLU 107 Ca -0.23 -0.20 -0.68 0.00 -0.13 0.00 0.00 59.36 58.12 3hii h GLU 107 Cb 1.23 -0.16 -0.37 0.00 0.63 0.00 0.00 28.75 30.07 3hii h GLU 107 CO 0.27 0.87 -0.39 -1.01 -0.73 0.00 0.00 179.01 178.03 3hii s HIS 108 N -5.52 3.47 0.57 0.92 3.76 -1.26 -5.09 115.29 112.14 3hii s HIS 108 Ca -0.13 -2.97 -0.20 0.00 -0.15 0.00 0.00 55.06 51.62 3hii s HIS 108 Cb 0.14 -3.06 -0.05 0.00 1.11 0.00 0.00 32.58 30.72 3hii s HIS 108 CO 0.82 -0.76 1.11 -2.30 -0.85 0.00 0.00 174.74 172.77 3hii n PRO 109 N 2.95 1.20 -3.91 8.40 -0.02 -1.25 -5.02 135.00 137.34 3hii n PRO 109 Ca 0.12 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3hii n PRO 109 Cb 0.36 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 3hii n PRO 109 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hii s ASN 110 N -1.10 -0.18 -0.16 2.55 2.20 -0.82 -4.47 114.94 112.96 3hii s ASN 110 Ca 0.74 -0.75 -0.04 0.00 -0.94 0.00 0.00 52.86 51.86 3hii s ASN 110 Cb -0.43 0.64 -0.03 0.00 -2.00 0.00 0.00 41.25 39.44 3hii s ASN 110 CO 0.48 -1.22 -0.02 -0.69 -2.94 0.00 0.00 177.10 172.71 3hii s VAL 111 N -3.96 4.00 -0.02 3.54 1.01 -1.26 -0.15 120.40 123.55 3hii s VAL 111 Ca 0.16 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3hii s VAL 111 Cb -0.03 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3hii s VAL 111 CO 0.07 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.62 3hii s THR 112 N 0.39 1.20 0.08 3.92 2.01 -0.73 -4.95 115.64 117.56 3hii s THR 112 Ca -0.03 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3hii s THR 112 Cb -0.14 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3hii s THR 112 CO 0.03 0.34 0.08 -1.61 -0.69 0.00 0.00 174.62 172.76 3hii s GLU 113 N -0.28 2.86 0.11 4.92 2.02 -1.26 -1.01 118.70 126.06 3hii s GLU 113 Ca 0.04 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.36 3hii s GLU 113 Cb -0.07 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 3hii s GLU 113 CO -0.00 0.56 -0.10 -0.06 0.02 0.00 0.00 175.26 175.68 3hii s PHE 114 N -1.40 1.13 -0.29 1.61 0.40 -0.01 -2.26 117.98 117.17 3hii s PHE 114 Ca 0.29 -0.70 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 3hii s PHE 114 Cb -0.12 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 3hii s PHE 114 CO 0.22 0.02 0.16 0.00 0.70 0.00 0.00 175.22 176.32 3hii s ALA 115 N -2.77 3.37 -0.18 5.36 0.00 0.77 -0.99 121.76 127.32 3hii s ALA 115 Ca 0.09 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 3hii s ALA 115 Cb -0.01 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3hii s ALA 115 CO 0.00 -0.67 0.10 0.08 0.00 0.00 0.00 175.76 175.27 3hii s VAL 116 N 1.68 5.16 0.19 0.00 1.01 0.54 -1.43 120.40 127.55 3hii s VAL 116 Ca 0.06 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 3hii s VAL 116 Cb -0.16 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 32.95 3hii s VAL 116 CO 0.08 0.47 0.81 0.61 0.00 0.00 0.00 175.10 177.07 3hii n GLY 117 N 3.35 0.81 3.91 4.51 0.00 -0.95 -0.64 105.19 116.18 3hii n GLY 117 Ca -0.17 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 3hii n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hii s PRO 118 N -2.05 1.98 -0.14 1.61 0.04 -1.26 -0.47 135.00 134.71 3hii s PRO 118 Ca 0.18 0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.24 3hii s PRO 118 Cb -0.03 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3hii s PRO 118 CO 0.06 -1.54 -0.19 -0.51 0.04 0.00 0.00 177.00 174.86 3hii s LEU 119 N -5.51 1.96 0.80 -3.56 1.43 -0.06 -1.65 118.68 112.10 3hii s LEU 119 Ca 0.62 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3hii s LEU 119 Cb -0.11 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 44.86 3hii s LEU 119 CO 0.48 0.03 1.10 -2.16 0.23 0.00 0.00 176.35 176.03 3hii s PRO 120 N 1.04 2.03 0.00 1.29 0.04 -1.26 -4.34 135.00 133.80 3hii s PRO 120 Ca -0.03 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.59 3hii s PRO 120 Cb -0.14 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3hii s PRO 120 CO -0.05 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.75 3hii n GLY 121 N -2.19 0.83 3.74 0.56 0.00 -1.20 -5.00 105.19 101.93 3hii n GLY 121 Ca 0.07 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3hii n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hii s PRO 122 N -2.94 4.16 0.00 1.61 0.04 -0.66 -3.98 135.00 133.24 3hii s PRO 122 Ca 0.00 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3hii s PRO 122 Cb 0.00 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3hii s PRO 122 CO 0.00 -0.62 0.18 0.00 0.04 0.00 0.00 177.00 176.60 3hii s TYR 124 N -0.02 0.15 -0.19 0.00 -0.85 -0.52 -5.00 117.35 110.92 3hii s TYR 124 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 3hii s TYR 124 Cb 0.00 -0.12 0.04 0.00 0.38 0.00 0.00 41.96 42.27 3hii s TYR 124 CO 0.00 -0.30 -0.07 0.00 -1.52 0.00 0.00 175.55 173.66 3hii s MET 125 N -1.91 1.71 0.23 -3.49 0.23 -1.26 -2.25 119.30 112.56 3hii s MET 125 Ca -0.11 -0.72 0.07 0.00 -1.03 0.00 0.00 55.69 53.90 3hii s MET 125 Cb -0.05 -2.27 -0.04 0.00 -1.53 0.00 0.00 34.83 30.94 3hii s MET 125 CO -0.01 -0.46 0.14 -0.98 -2.03 0.00 0.00 175.02 171.67 3hii s ARG 126 N 1.50 2.78 0.43 3.16 1.70 -0.51 -4.90 118.95 123.10 3hii s ARG 126 Ca -0.01 -1.08 -0.26 0.00 -0.47 0.00 0.00 55.73 53.91 3hii s ARG 126 Cb -0.16 -2.50 -0.09 0.00 -0.57 0.00 0.00 34.95 31.63 3hii s ARG 126 CO -0.08 0.42 1.39 0.00 -1.08 0.00 0.00 175.30 175.95 3hii s ALA 127 N -2.05 3.27 -0.03 7.88 0.00 -1.26 -0.16 121.76 129.42 3hii s ALA 127 Ca 0.32 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3hii s ALA 127 Cb -0.08 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3hii s ALA 127 CO 0.23 -1.07 0.00 -1.17 0.00 0.00 0.00 175.76 173.75 3hii s LEU 128 N -2.58 1.26 -1.51 0.00 2.96 -0.96 -4.56 118.68 113.29 3hii s LEU 128 Ca 0.59 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 3hii s LEU 128 Cb -0.42 -0.19 0.05 0.00 0.50 0.00 0.00 46.19 46.12 3hii s LEU 128 CO 0.55 -0.09 0.48 -1.20 -1.32 0.00 0.00 176.35 174.77 3hii n SER 129 N 4.01 -1.05 -4.77 3.68 7.64 -1.26 -4.18 113.62 117.69 3hii n SER 129 Ca -0.26 -1.03 -0.39 0.00 1.01 0.00 0.00 58.87 58.20 3hii n SER 129 Cb 0.51 -2.83 -0.01 0.00 -1.01 0.00 0.00 64.21 60.88 3hii n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3hii s PRO 130 N -6.75 4.01 -0.47 1.43 0.04 -1.26 -4.90 135.00 127.10 3hii s PRO 130 Ca 0.21 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.41 3hii s PRO 130 Cb -0.12 -2.75 0.30 0.00 0.04 0.00 0.00 34.50 31.97 3hii s PRO 130 CO 0.91 -0.43 0.72 -2.13 0.04 0.00 0.00 177.00 176.11 3hii n ARG 131 N 0.15 1.70 -1.90 4.56 0.63 -1.26 -5.11 116.66 115.43 3hii n ARG 131 Ca 0.04 -3.92 -0.40 0.00 -0.92 0.00 0.00 57.85 52.65 3hii n ARG 131 Cb 0.44 -1.79 -0.00 0.00 0.45 0.00 0.00 32.46 31.56 3hii n ARG 131 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hii s PRO 132 N -2.31 4.05 0.00 -0.14 0.04 -1.26 -2.52 135.00 132.85 3hii s PRO 132 Ca 0.41 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.85 3hii s PRO 132 Cb 0.24 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3hii s PRO 132 CO -0.09 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.85 3hii n GLY 133 N 0.58 1.10 3.81 0.56 0.00 -1.26 -5.05 105.19 104.94 3hii n GLY 133 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3hii n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hii s TYR 134 N -2.72 3.54 -0.30 1.61 6.14 -1.05 -5.01 117.35 119.57 3hii s TYR 134 Ca 0.00 0.54 0.05 0.00 0.64 0.00 0.00 57.07 58.29 3hii s TYR 134 Cb 0.00 -2.09 -0.03 0.00 0.42 0.00 0.00 41.96 40.26 3hii s TYR 134 CO 0.00 0.54 0.28 1.04 0.64 0.00 0.00 175.55 178.06 3hii n GLN 135 N 2.59 4.36 -0.91 4.97 6.02 -1.26 -4.67 117.38 128.48 3hii n GLN 135 Ca -0.17 -0.16 -0.01 0.00 -0.01 0.00 0.00 57.00 56.65 3hii n GLN 135 Cb 0.53 -0.79 0.32 0.00 1.02 0.00 0.00 30.24 31.33 3hii n GLN 135 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3hii n SER 136 N -0.83 4.94 -0.24 1.08 7.64 -1.26 -4.59 113.62 120.36 3hii n SER 136 Ca 0.01 -3.02 -0.03 0.00 1.01 0.00 0.00 58.87 56.84 3hii n SER 136 Cb 0.08 -0.71 0.15 0.00 -1.01 0.00 0.00 64.21 62.72 3hii n SER 136 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hii h SER 137 N 2.96 0.96 -0.21 6.43 4.64 -1.91 -1.11 113.55 125.32 3hii h SER 137 Ca 0.15 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3hii h SER 137 Cb 2.10 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.93 3hii h SER 137 CO 0.61 0.82 0.08 -0.25 -0.87 0.00 0.00 176.83 177.22 3hii h TRP 138 N 1.05 0.32 0.00 4.77 2.91 -1.81 -2.06 115.95 121.13 3hii h TRP 138 Ca 0.25 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.23 3hii h TRP 138 Cb 0.13 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3hii h TRP 138 CO 0.01 0.37 -0.10 0.00 -1.03 0.00 0.00 178.44 177.69 3hii h ALA 139 N 0.92 1.58 0.00 2.65 0.00 -1.78 -2.49 119.26 120.15 3hii h ALA 139 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hii h ALA 139 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hii h ALA 139 CO -0.01 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3hii n SER 140 N -4.05 0.75 -4.76 0.00 3.41 -0.45 -4.71 113.62 103.81 3hii n SER 140 Ca -0.02 0.59 -0.35 0.00 -0.26 0.00 0.00 58.87 58.82 3hii n SER 140 Cb 0.19 -0.78 0.02 0.00 -0.26 0.00 0.00 64.21 63.37 3hii n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hii s ARG 141 N -3.13 3.17 0.76 4.33 1.70 -0.94 -4.24 118.95 120.60 3hii s ARG 141 Ca 0.10 1.71 -0.15 0.00 -0.47 0.00 0.00 55.73 56.92 3hii s ARG 141 Cb 0.12 -1.97 0.05 0.00 -0.57 0.00 0.00 34.95 32.59 3hii s ARG 141 CO 0.56 -1.02 1.22 -2.30 -1.08 0.00 0.00 175.30 172.68 3hii n PRO 142 N -1.44 0.46 -1.21 3.89 -0.02 -1.26 -4.88 135.00 130.54 3hii n PRO 142 Ca 0.13 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 3hii n PRO 142 Cb 0.50 -2.46 0.13 0.00 -0.02 0.00 0.00 33.50 31.65 3hii n PRO 142 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3hii s ILE 143 N -1.90 2.80 0.12 4.25 2.07 -1.26 -5.08 121.20 122.20 3hii s ILE 143 Ca 0.76 0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 60.20 3hii s ILE 143 Cb -0.32 -2.74 -0.02 0.00 0.13 0.00 0.00 42.46 39.52 3hii s ILE 143 CO 0.48 -0.34 0.16 -0.94 -1.91 0.00 0.00 174.94 172.39 3hii s SER 144 N -3.40 0.18 0.24 4.50 1.04 -1.26 -5.04 113.70 109.96 3hii s SER 144 Ca 0.63 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 3hii s SER 144 Cb -0.18 0.35 0.35 0.00 0.10 0.00 0.00 66.02 66.63 3hii s SER 144 CO 0.57 -0.77 1.82 0.74 0.98 0.00 0.00 173.24 176.57 3hii h THR 145 N 2.75 0.95 -0.76 2.02 2.02 -1.91 -0.35 112.91 117.64 3hii h THR 145 Ca -0.33 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3hii h THR 145 Cb 1.20 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3hii h THR 145 CO 0.55 0.15 0.50 0.00 0.37 0.00 0.00 175.52 177.09 3hii h ALA 146 N 1.42 0.96 -0.55 6.16 0.00 -1.89 -1.32 119.26 124.05 3hii h ALA 146 Ca 0.37 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3hii h ALA 146 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hii h ALA 146 CO -0.22 0.36 0.03 1.49 0.00 0.00 0.00 179.25 180.92 3hii h GLU 147 N 1.01 0.95 -0.61 0.00 4.81 -1.70 -2.12 114.58 116.91 3hii h GLU 147 Ca 0.28 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hii h GLU 147 Cb -0.10 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3hii h GLU 147 CO -0.07 0.94 0.39 1.88 -0.73 0.00 0.00 179.01 181.43 3hii h TYR 148 N 0.83 0.78 -0.30 0.92 0.05 -0.65 0.43 116.97 119.03 3hii h TYR 148 Ca 0.16 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.99 3hii h TYR 148 Cb 0.49 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3hii h TYR 148 CO 0.04 0.50 0.10 0.00 -1.05 0.00 0.00 178.16 177.75 3hii h ALA 149 N 1.21 0.33 -0.46 3.88 0.00 -0.97 0.61 119.26 123.87 3hii h ALA 149 Ca 0.22 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3hii h ALA 149 Cb -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hii h ALA 149 CO -0.05 -0.30 0.09 -0.07 0.00 0.00 0.00 179.25 178.92 3hii h LEU 150 N 0.23 0.66 -0.49 0.00 3.38 -1.10 -1.35 115.31 116.63 3hii h LEU 150 Ca 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hii h LEU 150 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3hii h LEU 150 CO -0.14 0.67 0.22 -0.07 0.09 0.00 0.00 178.44 179.21 3hii h LEU 151 N 0.68 0.65 -1.03 1.67 3.38 -0.13 0.67 115.31 121.21 3hii h LEU 151 Ca 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hii h LEU 151 Cb 0.29 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hii h LEU 151 CO 0.00 0.61 0.34 0.22 0.09 0.00 0.00 178.44 179.70 3hii h TYR 152 N 0.65 1.03 -0.40 1.13 3.20 -0.47 0.23 116.97 122.32 3hii h TYR 152 Ca 0.17 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3hii h TYR 152 Cb 0.14 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3hii h TYR 152 CO -0.00 0.75 0.16 1.25 -1.64 0.00 0.00 178.16 178.68 3hii h HIS 153 N 1.02 0.62 -0.62 -3.82 -0.00 -0.79 -1.06 115.15 110.50 3hii h HIS 153 Ca 0.25 -0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.61 3hii h HIS 153 Cb 0.12 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 3hii h HIS 153 CO 0.01 0.55 0.36 1.15 -0.00 0.00 0.00 177.93 180.01 3hii h THR 154 N 0.51 1.03 -0.47 6.26 2.02 -0.31 -2.30 112.91 119.65 3hii h THR 154 Ca 0.13 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 3hii h THR 154 Cb 0.20 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3hii h THR 154 CO -0.01 0.13 -0.09 -0.07 0.37 0.00 0.00 175.52 175.85 3hii h LEU 155 N 0.70 0.89 -0.77 2.58 3.38 -0.74 0.81 115.31 122.16 3hii h LEU 155 Ca 0.26 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hii h LEU 155 Cb 0.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3hii h LEU 155 CO -0.13 1.03 0.49 1.56 0.09 0.00 0.00 178.44 181.49 3hii h GLN 156 N 0.73 0.94 0.18 1.13 4.20 -0.96 0.26 115.11 121.58 3hii h GLN 156 Ca 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3hii h GLN 156 Cb 0.63 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3hii h GLN 156 CO 0.04 0.62 -0.09 0.93 -0.67 0.00 0.00 178.83 179.66 3hii h GLU 157 N 0.96 -0.23 -0.09 1.46 4.39 -1.34 -3.28 114.58 116.45 3hii h GLU 157 Ca 0.31 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 3hii h GLU 157 Cb -0.00 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3hii h GLU 157 CO -0.11 0.17 -0.02 0.00 -1.16 0.00 0.00 179.01 177.90 3hii h ALA 158 N -0.37 1.81 -0.38 3.43 0.00 -0.75 -2.54 119.26 120.45 3hii h ALA 158 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hii h ALA 158 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hii h ALA 158 CO 0.04 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.69 3hii n THR 159 N -4.44 0.50 -0.27 0.00 -2.24 0.07 -4.44 114.28 103.46 3hii n THR 159 Ca -0.02 -0.62 0.07 0.00 -2.27 0.00 0.00 64.05 61.22 3hii n THR 159 Cb 0.15 0.56 0.21 0.00 -2.10 0.00 0.00 70.33 69.15 3hii n THR 159 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hii h LYS 160 N 3.30 0.43 -0.27 -0.78 1.57 -1.51 0.19 116.57 119.49 3hii h LYS 160 Ca 0.00 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3hii h LYS 160 Cb 0.74 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3hii h LYS 160 CO 0.00 0.28 0.27 -1.35 -0.57 0.00 0.00 179.45 178.08 3hii h PRO 161 N 0.44 0.00 -0.17 3.15 0.11 -1.84 -1.91 132.00 131.79 3hii h PRO 161 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3hii h PRO 161 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3hii h PRO 161 CO -0.44 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.63 3hii n LEU 162 N -3.92 1.95 0.03 2.35 4.77 0.67 -4.54 117.00 118.31 3hii n LEU 162 Ca 0.04 -0.79 -0.10 0.00 -0.03 0.00 0.00 56.01 55.12 3hii n LEU 162 Cb 0.41 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3hii n LEU 162 CO 0.29 0.39 0.70 -0.74 -1.33 0.00 0.00 177.39 176.70 3hii h HIS 163 N 2.67 -0.66 -0.49 -1.77 2.76 -1.27 0.39 115.15 116.79 3hii h HIS 163 Ca 0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 3hii h HIS 163 Cb 0.58 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.83 3hii h HIS 163 CO 0.10 -0.33 -0.05 0.37 -1.30 0.00 0.00 177.93 176.72 3hii h GLN 164 N -0.34 0.85 -0.52 5.26 5.75 -1.83 -0.90 115.11 123.38 3hii h GLN 164 Ca 0.08 -0.26 0.09 0.00 -0.15 0.00 0.00 58.65 58.41 3hii h GLN 164 Cb 0.46 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.86 3hii h GLN 164 CO -0.27 0.88 0.12 0.35 -2.65 0.00 0.00 178.83 177.26 3hii h PHE 165 N 0.78 0.19 -0.15 3.99 3.57 -1.62 -0.76 116.94 122.95 3hii h PHE 165 Ca 0.14 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3hii h PHE 165 Cb 0.54 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3hii h PHE 165 CO 0.03 0.01 0.04 0.74 -2.23 0.00 0.00 178.31 176.90 3hii h PHE 166 N 0.26 0.08 -0.37 0.41 0.04 0.10 -0.35 116.94 117.11 3hii h PHE 166 Ca 0.26 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.02 3hii h PHE 166 Cb 0.35 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3hii h PHE 166 CO -0.22 0.04 0.16 -0.07 -0.60 0.00 0.00 178.31 177.61 3hii h LEU 167 N 0.11 0.50 -0.59 1.54 3.38 -1.02 0.87 115.31 120.10 3hii h LEU 167 Ca 0.06 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3hii h LEU 167 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hii h LEU 167 CO -0.07 0.52 0.08 0.78 0.09 0.00 0.00 178.44 179.83 3hii h ASN 168 N 0.45 0.95 0.91 -0.43 4.21 -0.98 -0.53 115.58 120.16 3hii h ASN 168 Ca 0.12 -0.27 -0.20 0.00 1.21 0.00 0.00 56.30 57.17 3hii h ASN 168 Cb 0.17 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 3hii h ASN 168 CO -0.01 0.98 -1.17 0.71 -1.29 0.00 0.00 177.43 176.65 3hii h THR 169 N 0.88 1.01 0.00 2.81 1.35 -0.93 -3.42 112.91 114.61 3hii h THR 169 Ca 0.18 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 3hii h THR 169 Cb 0.45 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 3hii h THR 169 CO 0.02 0.57 -0.58 0.35 -0.25 0.00 0.00 175.52 175.63 3hii n THR 170 N -3.13 0.00 -0.82 6.82 -2.24 0.29 0.04 114.28 115.24 3hii n THR 170 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3hii n THR 170 Cb 0.90 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3hii n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hii n GLY 171 N 1.46 0.58 3.65 3.38 0.00 -0.21 -4.91 105.19 109.14 3hii n GLY 171 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3hii n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hii s PHE 172 N -2.71 2.54 0.25 1.61 0.40 -1.26 -4.93 117.98 113.89 3hii s PHE 172 Ca 0.00 -0.64 -0.15 0.00 -0.60 0.00 0.00 56.93 55.55 3hii s PHE 172 Cb 0.00 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.72 3hii s PHE 172 CO 0.00 0.39 0.53 -1.54 0.70 0.00 0.00 175.22 175.30 3hii s SER 173 N -3.76 -0.13 -0.14 1.36 1.04 -0.72 -3.61 113.70 107.74 3hii s SER 173 Ca 0.36 -0.85 0.13 0.00 0.48 0.00 0.00 55.95 56.07 3hii s SER 173 Cb 0.08 0.62 -0.24 0.00 0.10 0.00 0.00 66.02 66.58 3hii s SER 173 CO 0.19 -1.18 0.28 0.49 0.98 0.00 0.00 173.24 174.00 3hii n PHE 174 N -0.40 0.47 -3.97 5.02 3.72 -1.26 -0.75 117.46 120.28 3hii n PHE 174 Ca -0.02 0.15 -0.36 0.00 -0.05 0.00 0.00 57.45 57.17 3hii n PHE 174 Cb 0.61 -1.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.01 3hii n PHE 174 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3hii s GLN 175 N -2.54 3.35 -1.49 -1.08 -2.07 -1.26 -4.54 119.66 110.03 3hii s GLN 175 Ca -0.11 -0.22 -0.12 0.00 -1.82 0.00 0.00 55.36 53.09 3hii s GLN 175 Cb 0.07 -3.10 0.07 0.00 -1.09 0.00 0.00 33.01 28.96 3hii s GLN 175 CO 0.80 0.75 0.99 -0.25 -1.32 0.00 0.00 175.29 176.25 3hii n ASP 176 N 1.81 -4.65 -4.86 12.60 8.00 -1.26 -4.99 116.55 123.19 3hii n ASP 176 Ca -0.18 -0.75 -0.24 0.00 0.71 0.00 0.00 54.79 54.33 3hii n ASP 176 Cb 0.54 -4.05 -0.04 0.00 -0.02 0.00 0.00 41.12 37.55 3hii n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hii n HIS 178 N -0.87 -0.84 0.49 0.00 8.25 -1.26 -4.92 115.22 116.07 3hii n HIS 178 Ca -0.08 0.15 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 3hii n HIS 178 Cb 0.56 0.38 0.04 0.00 1.12 0.00 0.00 29.99 32.09 3hii n HIS 178 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hii n ASP 179 N -2.96 1.85 -3.06 0.41 8.00 -1.26 -4.67 116.55 114.87 3hii n ASP 179 Ca 0.00 -1.43 -0.24 0.00 0.71 0.00 0.00 54.79 53.83 3hii n ASP 179 Cb 0.00 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3hii n ASP 179 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hii n ARG 180 N 0.50 2.47 -3.71 -1.24 1.74 -1.26 -4.99 116.66 110.17 3hii n ARG 180 Ca 0.06 -4.38 -0.37 0.00 -0.77 0.00 0.00 57.85 52.39 3hii n ARG 180 Cb 0.28 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.46 29.60 3hii n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hii s LEU 182 N -1.17 3.68 0.25 0.00 1.43 0.07 -1.28 118.68 121.65 3hii s LEU 182 Ca 0.20 1.67 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 3hii s LEU 182 Cb -0.14 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.51 3hii s LEU 182 CO 0.10 -0.68 0.11 0.00 0.23 0.00 0.00 176.35 176.11 3hii s ALA 183 N -2.45 1.60 0.10 4.21 0.00 0.59 -4.78 121.76 121.02 3hii s ALA 183 Ca 0.61 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.79 3hii s ALA 183 Cb -0.12 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 24.13 3hii s ALA 183 CO 0.28 -0.50 -0.09 -0.59 0.00 0.00 0.00 175.76 174.86 3hii s PHE 184 N -3.85 0.98 -0.15 0.00 -0.12 -1.26 -0.33 117.98 113.25 3hii s PHE 184 Ca 0.38 -0.73 0.01 0.00 -0.05 0.00 0.00 56.93 56.54 3hii s PHE 184 Cb 0.07 -0.55 0.02 0.00 -0.63 0.00 0.00 43.02 41.94 3hii s PHE 184 CO 0.14 -0.05 -0.18 0.99 -0.05 0.00 0.00 175.22 176.07 3hii s THR 185 N -2.76 1.84 0.24 -4.49 2.01 -0.33 -4.95 115.64 107.20 3hii s THR 185 Ca 0.07 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 3hii s THR 185 Cb -0.01 -1.67 -0.08 0.00 0.01 0.00 0.00 72.50 70.75 3hii s THR 185 CO -0.01 0.50 0.74 1.51 -0.69 0.00 0.00 174.62 176.67 3hii s ASP 186 N 1.24 7.04 0.20 3.53 -4.77 -1.26 -1.29 116.67 121.36 3hii s ASP 186 Ca 0.02 1.43 0.08 0.00 -3.30 0.00 0.00 52.55 50.77 3hii s ASP 186 Cb -0.14 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 3hii s ASP 186 CO -0.09 0.00 0.00 0.68 0.70 0.00 0.00 175.17 176.46 3hii s VAL 187 N -1.57 3.66 0.11 2.11 -7.23 -0.90 -4.99 120.40 111.58 3hii s VAL 187 Ca 0.44 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.09 3hii s VAL 187 Cb -0.16 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 3hii s VAL 187 CO 0.21 -0.18 -0.08 0.00 -0.31 0.00 0.00 175.10 174.73 3hii s ALA 188 N -1.88 1.10 1.14 1.32 0.00 -1.26 -4.37 121.76 117.81 3hii s ALA 188 Ca 0.28 -1.33 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 3hii s ALA 188 Cb -0.09 0.10 0.25 0.00 0.00 0.00 0.00 23.12 23.39 3hii s ALA 188 CO 0.19 -0.15 1.09 -1.25 0.00 0.00 0.00 175.76 175.64 3hii s PRO 189 N -3.52 -0.69 -0.67 0.00 0.04 -1.26 -1.02 135.00 127.88 3hii s PRO 189 Ca 0.11 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.39 3hii s PRO 189 Cb 0.02 -1.64 0.23 0.00 0.04 0.00 0.00 34.50 33.15 3hii s PRO 189 CO -0.02 -3.41 0.69 0.54 0.04 0.00 0.00 177.00 174.84 3hii n ARG 190 N -4.59 2.38 0.00 4.56 1.74 -1.26 -4.85 116.66 114.64 3hii n ARG 190 Ca 0.10 -4.62 0.00 0.00 -0.77 0.00 0.00 57.85 52.55 3hii n ARG 190 Cb 0.59 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 3hii n ARG 190 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hii n GLY 191 N 1.20 0.83 0.06 -0.13 0.00 -0.94 -0.68 105.19 105.53 3hii n GLY 191 Ca 0.27 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 44.29 3hii n GLY 191 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hii n VAL 192 N 6.33 0.00 -3.48 1.61 0.24 -1.26 -5.04 118.33 116.74 3hii n VAL 192 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 3hii n VAL 192 Cb 0.00 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 3hii n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hii s ALA 193 N -0.13 -1.73 0.21 2.33 0.00 -1.26 -5.09 121.76 116.08 3hii s ALA 193 Ca 0.02 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.55 3hii s ALA 193 Cb 0.01 0.46 -0.14 0.00 0.00 0.00 0.00 23.12 23.45 3hii s ALA 193 CO 0.02 -0.65 1.35 0.45 0.00 0.00 0.00 175.76 176.93 3hii n SER 194 N -0.06 2.36 0.00 0.00 2.88 -1.26 -2.37 113.62 115.16 3hii n SER 194 Ca -0.14 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 3hii n SER 194 Cb 0.62 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3hii n SER 194 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hii n GLY 195 N 2.18 0.97 3.86 0.46 0.00 -1.26 -5.04 105.19 106.37 3hii n GLY 195 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3hii n GLY 195 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hii s GLN 196 N -0.93 3.92 -0.40 1.61 -0.21 -1.00 -4.78 119.66 117.88 3hii s GLN 196 Ca 0.00 0.51 0.07 0.00 0.02 0.00 0.00 55.36 55.96 3hii s GLN 196 Cb 0.00 -2.53 0.23 0.00 1.00 0.00 0.00 33.01 31.72 3hii s GLN 196 CO 0.00 0.23 0.50 -2.13 -2.12 0.00 0.00 175.29 171.76 3hii n ARG 197 N -0.25 0.60 -3.96 2.91 0.63 -1.14 -4.73 116.66 110.72 3hii n ARG 197 Ca 0.02 -3.14 -0.31 0.00 -0.92 0.00 0.00 57.85 53.50 3hii n ARG 197 Cb 0.53 -1.32 -0.15 0.00 0.45 0.00 0.00 32.46 31.97 3hii n ARG 197 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hii s ARG 198 N -0.83 1.55 -0.16 -0.14 0.52 0.14 -1.36 118.95 118.67 3hii s ARG 198 Ca 0.34 -1.40 -0.06 0.00 -0.52 0.00 0.00 55.73 54.09 3hii s ARG 198 Cb 0.14 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 3hii s ARG 198 CO -0.13 -0.78 0.06 -1.12 0.02 0.00 0.00 175.30 173.35 3hii s SER 199 N 1.19 5.64 0.19 0.23 0.01 0.17 -2.22 113.70 118.91 3hii s SER 199 Ca 0.02 0.14 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 3hii s SER 199 Cb -0.19 -1.89 -0.08 0.00 0.21 0.00 0.00 66.02 64.07 3hii s SER 199 CO -0.09 0.24 1.00 0.26 0.41 0.00 0.00 173.24 175.06 3hii s TRP 200 N -0.02 3.80 -0.12 2.43 0.52 -1.26 -1.15 118.94 123.15 3hii s TRP 200 Ca 0.06 1.79 0.02 0.00 0.02 0.00 0.00 56.10 57.99 3hii s TRP 200 Cb -0.12 -3.11 0.01 0.00 -1.15 0.00 0.00 33.47 29.10 3hii s TRP 200 CO 0.01 0.02 -0.18 -0.51 0.02 0.00 0.00 176.95 176.31 3hii s LEU 201 N -0.70 1.89 -0.27 2.99 1.43 0.19 -2.13 118.68 122.07 3hii s LEU 201 Ca 0.45 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 3hii s LEU 201 Cb -0.27 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 3hii s LEU 201 CO 0.33 0.04 0.68 -0.63 0.23 0.00 0.00 176.35 177.00 3hii s ILE 202 N 0.92 4.93 0.01 -0.59 1.01 -0.41 -0.72 121.20 126.34 3hii s ILE 202 Ca -0.07 1.12 -0.25 0.00 0.00 0.00 0.00 60.65 61.46 3hii s ILE 202 Cb -0.15 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 3hii s ILE 202 CO -0.02 -0.07 0.77 -0.63 0.00 0.00 0.00 174.94 174.99 3hii s ILE 203 N 2.64 4.84 0.09 2.92 -1.09 -0.99 -1.18 121.20 128.43 3hii s ILE 203 Ca 0.28 1.61 0.01 0.00 -2.23 0.00 0.00 60.65 60.32 3hii s ILE 203 Cb -0.15 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 3hii s ILE 203 CO 0.10 0.31 -0.05 -1.10 -1.23 0.00 0.00 174.94 172.97 3hii s GLN 204 N 0.28 0.81 -0.10 2.79 -0.21 0.55 -1.10 119.66 122.68 3hii s GLN 204 Ca 0.39 -1.33 -0.24 0.00 0.02 0.00 0.00 55.36 54.20 3hii s GLN 204 Cb -0.20 -0.11 -0.03 0.00 1.00 0.00 0.00 33.01 33.67 3hii s GLN 204 CO 0.22 -0.05 0.76 1.03 -2.12 0.00 0.00 175.29 175.12 3hii s ARG 205 N -3.86 4.40 -1.32 2.91 0.52 0.26 -0.30 118.95 121.55 3hii s ARG 205 Ca 0.12 0.95 -0.16 0.00 -0.52 0.00 0.00 55.73 56.11 3hii s ARG 205 Cb 0.06 -3.49 0.08 0.00 0.52 0.00 0.00 34.95 32.12 3hii s ARG 205 CO -0.05 -0.07 1.81 0.98 0.02 0.00 0.00 175.30 177.99 3hii n TYR 206 N 4.26 4.40 -4.65 -0.53 9.36 -0.40 -4.60 117.16 125.00 3hii n TYR 206 Ca 0.01 -2.93 -0.32 0.00 3.32 0.00 0.00 57.90 57.98 3hii n TYR 206 Cb 0.50 -2.54 -0.07 0.00 -0.63 0.00 0.00 39.34 36.60 3hii n TYR 206 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3hii s VAL 207 N 3.55 1.33 -0.06 2.97 -7.23 -1.26 -4.69 120.40 115.01 3hii s VAL 207 Ca 0.51 -1.95 -0.35 0.00 -1.81 0.00 0.00 61.98 58.38 3hii s VAL 207 Cb 0.06 -2.28 -0.13 0.00 0.56 0.00 0.00 36.38 34.59 3hii s VAL 207 CO 0.03 0.00 1.80 1.21 -0.31 0.00 0.00 175.10 177.83 3hii n GLU 208 N -1.28 2.04 -3.02 4.82 2.13 -1.26 -0.57 120.64 123.49 3hii n GLU 208 Ca -0.16 0.74 -0.12 0.00 0.66 0.00 0.00 57.16 58.29 3hii n GLU 208 Cb 0.67 -2.55 0.04 0.00 0.27 0.00 0.00 31.44 29.87 3hii n GLU 208 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hii n GLY 209 N 4.16 0.13 0.36 8.31 0.00 -1.26 -4.54 105.19 112.35 3hii n GLY 209 Ca 0.22 -0.18 0.19 0.00 0.00 0.00 0.00 46.02 46.25 3hii n GLY 209 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3hii h TYR 210 N -1.36 0.00 -1.08 1.61 -0.00 -1.09 -1.69 116.97 113.35 3hii h TYR 210 Ca -0.30 0.00 0.30 0.00 0.00 0.00 0.00 58.73 58.73 3hii h TYR 210 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.86 3hii h TYR 210 CO 0.26 0.00 0.75 0.74 -0.00 0.00 0.00 178.16 179.91 3hii h PHE 211 N 0.00 0.25 -0.51 0.10 -1.00 -1.87 -1.24 116.94 112.68 3hii h PHE 211 Ca 0.13 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3hii h PHE 211 Cb 0.84 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3hii h PHE 211 CO 0.00 0.02 0.00 1.28 -1.61 0.00 0.00 178.31 178.00 3hii n LEU 212 N -4.37 4.38 -3.01 1.54 4.77 -0.64 -4.59 117.00 115.09 3hii n LEU 212 Ca 0.24 -2.22 -0.25 0.00 -0.03 0.00 0.00 56.01 53.76 3hii n LEU 212 Cb 1.06 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3hii n LEU 212 CO 0.34 0.63 0.05 1.41 -1.33 0.00 0.00 177.39 178.49 3hii n HIS 213 N 0.72 3.00 -2.27 -1.77 8.25 -0.47 -4.91 115.22 117.77 3hii n HIS 213 Ca 0.22 -3.95 -0.35 0.00 -0.26 0.00 0.00 57.72 53.37 3hii n HIS 213 Cb 0.87 -0.47 -0.00 0.00 1.12 0.00 0.00 29.99 31.51 3hii n HIS 213 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hii s PRO 214 N -3.18 3.46 0.06 -0.41 0.04 -1.26 -0.57 135.00 133.14 3hii s PRO 214 Ca 0.46 1.63 0.22 0.00 0.04 0.00 0.00 61.00 63.35 3hii s PRO 214 Cb 0.30 -2.09 -0.20 0.00 0.04 0.00 0.00 34.50 32.55 3hii s PRO 214 CO -0.12 -0.77 0.70 0.25 0.04 0.00 0.00 177.00 177.10 3hii n THR 215 N -1.13 0.29 0.00 1.26 -2.24 -0.26 -4.85 114.28 107.36 3hii n THR 215 Ca 0.11 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3hii n THR 215 Cb 0.50 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3hii n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hii n GLY 216 N 1.24 0.55 3.84 3.38 0.00 -1.26 -4.95 105.19 107.98 3hii n GLY 216 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3hii n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hii s LEU 217 N 0.00 4.38 0.03 0.99 2.96 -1.26 -1.25 118.68 124.53 3hii s LEU 217 Ca 0.00 0.58 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 3hii s LEU 217 Cb 0.00 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3hii s LEU 217 CO 0.00 0.34 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.66 3hii s GLU 218 N -0.80 0.69 -0.03 1.98 2.02 0.97 -2.33 118.70 121.19 3hii s GLU 218 Ca 0.17 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3hii s GLU 218 Cb -0.13 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.48 3hii s GLU 218 CO 0.06 0.15 -0.12 -0.51 0.02 0.00 0.00 175.26 174.85 3hii s LEU 219 N -1.03 1.84 -0.26 1.80 1.43 0.10 -1.02 118.68 121.53 3hii s LEU 219 Ca -0.02 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3hii s LEU 219 Cb -0.07 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 3hii s LEU 219 CO 0.01 0.10 0.24 -0.22 0.23 0.00 0.00 176.35 176.71 3hii s LEU 220 N 0.13 4.05 -0.12 1.79 2.96 -0.72 0.53 118.68 127.31 3hii s LEU 220 Ca -0.03 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3hii s LEU 220 Cb -0.10 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.38 3hii s LEU 220 CO 0.01 -0.06 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.09 3hii s VAL 221 N 1.65 2.27 -0.49 1.68 1.01 -0.30 -0.75 120.40 125.48 3hii s VAL 221 Ca 0.10 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 3hii s VAL 221 Cb -0.15 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.36 3hii s VAL 221 CO 0.09 0.55 0.88 -0.62 0.00 0.00 0.00 175.10 176.00 3hii s ASP 222 N 0.53 6.42 -0.27 3.32 -1.08 -0.50 -0.66 116.67 124.42 3hii s ASP 222 Ca -0.13 -0.12 0.08 0.00 -0.52 0.00 0.00 52.55 51.86 3hii s ASP 222 Cb -0.17 -2.42 0.45 0.00 -1.46 0.00 0.00 42.92 39.32 3hii s ASP 222 CO 0.04 -1.07 1.22 0.00 0.52 0.00 0.00 175.17 175.89 3hii n HIS 223 N 7.11 1.97 -0.06 -5.34 1.44 -0.46 -2.80 115.22 117.08 3hii n HIS 223 Ca 0.03 -2.02 -0.15 0.00 -2.01 0.00 0.00 57.72 53.57 3hii n HIS 223 Cb 0.48 -0.34 -0.06 0.00 0.12 0.00 0.00 29.99 30.19 3hii n HIS 223 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3hii h GLY 224 N 1.83 0.78 -2.68 -1.39 0.00 -1.91 -3.46 103.07 96.24 3hii h GLY 224 Ca 0.27 -0.97 -0.48 0.00 0.00 0.00 0.00 47.33 46.15 3hii h GLY 224 CO 0.56 0.86 0.42 -1.35 0.00 0.00 0.00 176.54 177.03 3hii s SER 225 N -6.79 6.63 0.04 0.19 1.04 -1.26 -4.92 113.70 108.63 3hii s SER 225 Ca -0.12 2.06 0.18 0.00 0.48 0.00 0.00 55.95 58.56 3hii s SER 225 Cb 0.08 -2.58 0.78 0.00 0.10 0.00 0.00 66.02 64.39 3hii s SER 225 CO 0.86 -0.58 1.58 0.35 0.98 0.00 0.00 173.24 176.43 3hii n THR 226 N -0.23 0.80 -3.29 2.02 -2.24 -1.26 -4.25 114.28 105.82 3hii n THR 226 Ca 0.06 0.19 -0.44 0.00 -2.27 0.00 0.00 64.05 61.59 3hii n THR 226 Cb 0.50 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 3hii n THR 226 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hii s ASP 227 N -3.23 6.18 0.49 3.42 2.15 -1.26 -3.50 116.67 120.91 3hii s ASP 227 Ca 0.08 -1.15 0.33 0.00 0.43 0.00 0.00 52.55 52.24 3hii s ASP 227 Cb 0.11 -2.23 1.72 0.00 -0.30 0.00 0.00 42.92 42.23 3hii s ASP 227 CO 0.34 -0.74 2.01 0.00 -0.17 0.00 0.00 175.17 176.60 3hii h ALA 228 N 8.85 1.00 0.00 3.66 0.00 -1.99 -1.17 119.26 129.61 3hii h ALA 228 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hii h ALA 228 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hii h ALA 228 CO 0.91 0.00 -0.04 0.78 0.00 0.00 0.00 179.25 180.90 3hii h GLY 229 N 0.40 0.00 1.71 0.00 0.00 -1.93 -2.38 103.07 100.87 3hii h GLY 229 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hii h GLY 229 CO 0.00 0.00 -0.18 1.42 0.00 0.00 0.00 176.54 177.78 3hii n HIS 230 N -3.23 0.36 -2.06 5.60 8.25 -0.44 -4.92 115.22 118.78 3hii n HIS 230 Ca -0.01 0.10 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 3hii n HIS 230 Cb 0.22 -0.61 -0.02 0.00 1.12 0.00 0.00 29.99 30.70 3hii n HIS 230 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hii s TRP 231 N -3.05 2.95 -0.05 4.41 0.52 -0.90 -5.01 118.94 117.81 3hii s TRP 231 Ca 0.11 1.38 -0.04 0.00 0.02 0.00 0.00 56.10 57.58 3hii s TRP 231 Cb 0.16 -3.72 0.01 0.00 -1.15 0.00 0.00 33.47 28.77 3hii s TRP 231 CO 0.61 -2.04 0.12 0.00 0.02 0.00 0.00 176.95 175.66 3hii s ALA 232 N -1.16 -0.30 -0.42 0.98 0.00 -1.12 -5.00 121.76 114.74 3hii s ALA 232 Ca 0.51 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.54 3hii s ALA 232 Cb -0.40 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3hii s ALA 232 CO 0.54 -0.06 1.52 0.08 0.00 0.00 0.00 175.76 177.83 3hii s VAL 233 N 0.13 3.77 -0.85 0.00 1.01 -1.26 -1.41 120.40 121.78 3hii s VAL 233 Ca -0.01 0.75 0.23 0.00 0.00 0.00 0.00 61.98 62.96 3hii s VAL 233 Cb -0.02 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 3hii s VAL 233 CO -0.00 -0.75 1.09 -1.84 0.00 0.00 0.00 175.10 173.60 3hii n GLU 234 N 8.29 0.11 -3.48 2.72 0.28 0.07 -4.87 120.64 123.76 3hii n GLU 234 Ca 0.18 -0.01 -0.15 0.00 -0.16 0.00 0.00 57.16 57.02 3hii n GLU 234 Cb 0.48 -1.53 -0.04 0.00 1.43 0.00 0.00 31.44 31.78 3hii n GLU 234 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3hii s GLN 235 N -3.08 1.12 -0.03 3.44 2.00 -1.22 -4.79 119.66 117.11 3hii s GLN 235 Ca 0.07 -0.04 0.00 0.00 -2.00 0.00 0.00 55.36 53.40 3hii s GLN 235 Cb 0.16 0.52 0.03 0.00 0.80 0.00 0.00 33.01 34.52 3hii s GLN 235 CO 0.80 -0.42 -0.01 0.08 -0.50 0.00 0.00 175.29 175.24 3hii s VAL 236 N -2.23 0.26 -0.12 1.34 1.01 -1.26 -1.75 120.40 117.65 3hii s VAL 236 Ca -0.06 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3hii s VAL 236 Cb -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3hii s VAL 236 CO 0.00 0.17 -0.22 0.86 0.00 0.00 0.00 175.10 175.91 3hii s TRP 237 N 1.03 2.63 -0.05 5.22 -0.00 -0.19 -0.51 118.94 127.07 3hii s TRP 237 Ca -0.10 -1.07 -0.01 0.00 -0.00 0.00 0.00 56.10 54.92 3hii s TRP 237 Cb -0.14 -1.76 0.03 0.00 -0.00 0.00 0.00 33.47 31.60 3hii s TRP 237 CO -0.01 -0.44 0.02 -0.47 -0.00 0.00 0.00 176.95 176.04 3hii s TYR 238 N 0.48 0.41 -1.57 5.86 5.04 -0.16 -0.02 117.35 127.39 3hii s TYR 238 Ca -0.15 -0.00 -0.08 0.00 -2.44 0.00 0.00 57.07 54.40 3hii s TYR 238 Cb -0.17 -0.62 0.07 0.00 0.35 0.00 0.00 41.96 41.59 3hii s TYR 238 CO 0.06 -0.24 0.51 -1.71 -1.34 0.00 0.00 175.55 172.82 3hii n ASN 239 N 4.96 -1.37 0.00 4.32 5.15 -0.38 -2.10 115.26 125.83 3hii n ASN 239 Ca -0.10 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.82 3hii n ASN 239 Cb 0.50 -2.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.09 3hii n ASN 239 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hii n GLY 240 N -1.80 0.37 3.17 8.20 0.00 -1.26 -5.06 105.19 108.80 3hii n GLY 240 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 3hii n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hii s LYS 241 N -0.90 0.85 0.26 1.61 1.02 -0.89 -5.14 119.74 116.54 3hii s LYS 241 Ca 0.00 -0.91 -0.10 0.00 0.02 0.00 0.00 55.97 54.98 3hii s LYS 241 Cb 0.00 -0.86 -0.07 0.00 -0.52 0.00 0.00 37.83 36.37 3hii s LYS 241 CO 0.00 0.20 0.59 -0.06 -0.92 0.00 0.00 175.35 175.15 3hii s PHE 242 N -1.17 3.42 0.00 3.18 0.08 -1.26 -0.99 117.98 121.25 3hii s PHE 242 Ca -0.01 0.90 0.00 0.00 0.12 0.00 0.00 56.93 57.94 3hii s PHE 242 Cb -0.09 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 3hii s PHE 242 CO 0.02 0.22 0.05 0.66 -0.10 0.00 0.00 175.22 176.07 3hii n TYR 243 N -0.31 0.00 0.00 0.36 4.02 0.34 -4.96 117.16 116.61 3hii n TYR 243 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3hii n TYR 243 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 3hii n TYR 243 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hii n GLY 244 N 0.19 1.85 3.21 2.72 0.00 -1.26 -4.51 105.19 107.39 3hii n GLY 244 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 3hii n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hii s SER 245 N 0.00 0.16 0.25 1.61 1.04 -1.26 -3.80 113.70 111.69 3hii s SER 245 Ca 0.00 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 3hii s SER 245 Cb 0.00 0.34 0.39 0.00 0.10 0.00 0.00 66.02 66.84 3hii s SER 245 CO 0.00 -0.74 1.84 -0.65 0.98 0.00 0.00 173.24 174.67 3hii h PRO 246 N 2.77 0.89 -0.74 4.02 0.11 -1.89 -2.80 132.00 134.37 3hii h PRO 246 Ca -0.34 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.73 3hii h PRO 246 Cb 1.20 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3hii h PRO 246 CO 0.56 0.59 0.49 0.93 -0.21 0.00 0.00 178.00 180.36 3hii h GLU 247 N 0.92 0.97 -0.37 1.05 3.07 -1.94 -0.24 114.58 118.05 3hii h GLU 247 Ca 0.40 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 3hii h GLU 247 Cb 0.28 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3hii h GLU 247 CO -0.21 0.65 0.16 1.49 -1.40 0.00 0.00 179.01 179.70 3hii h GLU 248 N 1.00 0.54 -0.53 2.33 4.81 -1.79 0.25 114.58 121.20 3hii h GLU 248 Ca 0.27 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3hii h GLU 248 Cb -0.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3hii h GLU 248 CO -0.06 0.50 0.27 1.25 -0.73 0.00 0.00 179.01 180.24 3hii h LEU 249 N 0.45 0.68 -0.21 1.64 5.85 -1.26 -0.64 115.31 121.82 3hii h LEU 249 Ca 0.12 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3hii h LEU 249 Cb 0.15 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3hii h LEU 249 CO -0.01 0.59 -0.07 0.00 -0.34 0.00 0.00 178.44 178.61 3hii h ALA 250 N 1.11 0.11 0.62 1.25 0.00 -0.65 0.83 119.26 122.53 3hii h ALA 250 Ca 0.18 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3hii h ALA 250 Cb 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hii h ALA 250 CO -0.03 -0.49 -0.50 0.07 0.00 0.00 0.00 179.25 178.30 3hii h ARG 251 N -0.03 -1.05 -0.65 0.00 -0.00 -0.28 0.11 114.38 112.47 3hii h ARG 251 Ca 0.11 0.07 0.05 0.00 -0.00 0.00 0.00 59.98 60.21 3hii h ARG 251 Cb 0.19 0.24 -0.04 0.00 -0.00 0.00 0.00 29.97 30.36 3hii h ARG 251 CO -0.24 -0.70 0.43 0.87 -0.00 0.00 0.00 179.97 180.33 3hii h LYS 252 N -1.09 0.69 -0.19 0.08 1.57 -1.00 0.20 116.57 116.83 3hii h LYS 252 Ca -0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3hii h LYS 252 Cb 0.92 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3hii h LYS 252 CO 0.00 0.46 0.01 -0.92 -0.57 0.00 0.00 179.45 178.43 3hii h TYR 253 N 0.71 0.36 -0.68 -1.35 3.20 -0.64 0.15 116.97 118.71 3hii h TYR 253 Ca 0.27 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.14 3hii h TYR 253 Cb 0.18 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3hii h TYR 253 CO -0.00 0.51 0.39 0.00 -1.64 0.00 0.00 178.16 177.42 3hii h ALA 254 N 0.80 0.91 0.00 1.82 0.00 0.81 -1.64 119.26 121.96 3hii h ALA 254 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hii h ALA 254 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hii h ALA 254 CO 0.01 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 3hii n ASP 255 N -4.76 0.41 -1.32 0.00 8.00 0.56 -4.86 116.55 114.57 3hii n ASP 255 Ca 0.09 -1.90 -0.16 0.00 0.71 0.00 0.00 54.79 53.53 3hii n ASP 255 Cb 0.16 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 3hii n ASP 255 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hii n GLY 256 N 0.27 1.36 1.48 0.44 0.00 -0.62 -4.88 105.19 103.24 3hii n GLY 256 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3hii n GLY 256 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hii n GLU 257 N -2.53 3.20 -4.21 1.61 1.02 0.48 -4.89 120.64 115.32 3hii n GLU 257 Ca -0.17 -2.77 -0.33 0.00 -0.02 0.00 0.00 57.16 53.87 3hii n GLU 257 Cb 0.55 -1.73 -0.16 0.00 -0.02 0.00 0.00 31.44 30.08 3hii n GLU 257 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hii s VAL 258 N -1.39 2.16 -0.68 2.62 1.01 -1.23 -4.89 120.40 117.99 3hii s VAL 258 Ca 0.51 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 3hii s VAL 258 Cb 0.29 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 3hii s VAL 258 CO 0.30 0.53 1.65 1.51 0.00 0.00 0.00 175.10 179.09 3hii s ASP 259 N 1.21 5.61 0.25 3.32 1.47 -1.26 -4.97 116.67 122.30 3hii s ASP 259 Ca 0.03 -0.03 0.02 0.00 1.18 0.00 0.00 52.55 53.75 3hii s ASP 259 Cb -0.14 -2.54 -0.03 0.00 -0.34 0.00 0.00 42.92 39.87 3hii s ASP 259 CO -0.10 -2.18 0.41 0.68 0.68 0.00 0.00 175.17 174.65 3hii s VAL 260 N 7.83 5.21 -0.32 2.11 -7.23 -1.26 -4.97 120.40 121.77 3hii s VAL 260 Ca 0.55 -0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 60.00 3hii s VAL 260 Cb -0.10 -3.82 0.04 0.00 0.56 0.00 0.00 36.38 33.06 3hii s VAL 260 CO 0.17 -0.33 0.07 -0.69 -0.31 0.00 0.00 175.10 174.01 3hii s VAL 261 N -2.01 3.50 -0.35 1.32 1.01 -1.26 -5.07 120.40 117.53 3hii s VAL 261 Ca 0.37 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 3hii s VAL 261 Cb -0.10 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3hii s VAL 261 CO 0.31 -0.15 1.02 -0.69 0.00 0.00 0.00 175.10 175.59 3hii s VAL 262 N 1.35 4.51 0.30 2.92 1.01 -1.26 -4.84 120.40 124.39 3hii s VAL 262 Ca -0.03 1.50 -0.26 0.00 0.00 0.00 0.00 61.98 63.19 3hii s VAL 262 Cb -0.20 -4.40 -0.10 0.00 0.00 0.00 0.00 36.38 31.69 3hii s VAL 262 CO 0.01 -0.54 0.92 -0.76 0.00 0.00 0.00 175.10 174.74 3hii s LEU 263 N 3.65 4.40 0.95 3.92 1.43 0.11 -5.03 118.68 128.11 3hii s LEU 263 Ca 0.43 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 3hii s LEU 263 Cb -0.12 -3.89 0.16 0.00 0.03 0.00 0.00 46.19 42.37 3hii s LEU 263 CO 0.18 -0.01 1.09 -1.83 0.23 0.00 0.00 176.35 176.01 3hii s GLU 264 N -1.86 0.83 0.01 1.70 4.04 -1.26 -4.69 118.70 117.46 3hii s GLU 264 Ca 0.48 0.66 -0.30 0.00 0.04 0.00 0.00 54.97 55.84 3hii s GLU 264 Cb -0.20 -1.77 -0.05 0.00 0.02 0.00 0.00 34.13 32.13 3hii s GLU 264 CO 0.25 -2.49 1.29 0.34 -1.84 0.00 0.00 175.26 172.81 3hii s ASP 265 N -3.45 6.97 -0.10 0.83 -1.08 -1.26 -4.94 116.67 113.64 3hii s ASP 265 Ca 0.64 2.02 -0.13 0.00 -0.52 0.00 0.00 52.55 54.56 3hii s ASP 265 Cb -0.18 -2.57 -0.28 0.00 -1.46 0.00 0.00 42.92 38.44 3hii s ASP 265 CO 0.57 -0.61 0.53 1.55 0.52 0.00 0.00 175.17 177.73 3hii h PRO 266 N 7.37 0.28 -4.90 4.34 0.13 -1.93 -3.55 132.00 133.73 3hii h PRO 266 Ca -0.38 -0.48 -0.68 0.00 -0.87 0.00 0.00 66.00 63.59 3hii h PRO 266 Cb 1.18 0.18 -0.18 0.00 0.13 0.00 0.00 31.00 32.31 3hii h PRO 266 CO 0.87 1.23 0.20 -0.51 -0.23 0.00 0.00 178.00 179.56 3hii s LEU 267 N -7.38 5.10 -0.04 1.56 1.43 -1.26 -5.02 118.68 113.07 3hii s LEU 267 Ca -0.20 -1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 51.44 3hii s LEU 267 Cb 0.05 -2.36 -0.17 0.00 0.03 0.00 0.00 46.19 43.75 3hii s LEU 267 CO 0.78 -1.15 0.96 -0.33 0.23 0.00 0.00 176.35 176.85 3hii h GLU 278 N 9.23 -0.21 -7.13 1.70 4.39 -2.07 -3.55 114.58 116.95 3hii h GLU 278 Ca -0.29 0.01 -0.53 0.00 0.34 0.00 0.00 59.36 58.89 3hii h GLU 278 Cb 1.08 0.05 0.13 0.00 -0.10 0.00 0.00 28.75 29.91 3hii h GLU 278 CO 1.10 0.23 0.45 -2.14 -1.16 0.00 0.00 179.01 177.48 3hii s PRO 279 N -3.66 2.70 0.65 2.33 0.02 -1.26 -4.96 135.00 130.83 3hii s PRO 279 Ca -0.13 1.81 -0.18 0.00 0.02 0.00 0.00 61.00 62.52 3hii s PRO 279 Cb 0.01 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3hii s PRO 279 CO 0.51 -1.41 1.26 -2.14 -0.33 0.00 0.00 177.00 174.89 3hii s PRO 280 N -3.53 2.55 0.34 5.54 0.02 -1.26 -4.97 135.00 133.69 3hii s PRO 280 Ca 0.77 1.96 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 3hii s PRO 280 Cb -0.30 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 3hii s PRO 280 CO 0.37 -1.57 1.38 -1.17 -0.33 0.00 0.00 177.00 175.68 3hii s LEU 281 N -4.47 4.38 0.56 -5.54 2.96 -1.26 -4.89 118.68 110.43 3hii s LEU 281 Ca 0.80 2.83 0.28 0.00 -0.22 0.00 0.00 54.13 57.82 3hii s LEU 281 Cb -0.34 -3.66 1.48 0.00 0.50 0.00 0.00 46.19 44.17 3hii s LEU 281 CO 0.39 -0.67 1.95 2.19 -1.32 0.00 0.00 176.35 178.89 3hii h PHE 282 N 3.33 0.00 -0.35 5.38 -5.15 -1.95 0.80 116.94 119.00 3hii h PHE 282 Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 3hii h PHE 282 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3hii h PHE 282 CO 0.55 0.00 0.00 -1.13 -2.00 0.00 0.00 178.31 175.73 3hii n SER 283 N -3.99 2.22 -4.89 -0.68 3.41 -1.26 -4.13 113.62 104.29 3hii n SER 283 Ca 0.09 -1.91 -0.30 0.00 -0.26 0.00 0.00 58.87 56.50 3hii n SER 283 Cb 0.65 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 3hii n SER 283 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hii s SER 284 N -1.22 6.51 0.00 4.04 1.04 0.27 -4.24 113.70 120.10 3hii s SER 284 Ca 0.31 0.79 0.29 0.00 0.48 0.00 0.00 55.95 57.82 3hii s SER 284 Cb 0.17 -2.17 1.36 0.00 0.10 0.00 0.00 66.02 65.47 3hii s SER 284 CO 0.23 -0.15 1.94 1.41 0.98 0.00 0.00 173.24 177.65 3hii n HIS 285 N -0.64 0.00 -1.73 5.02 8.25 -1.26 -4.71 115.22 120.15 3hii n HIS 285 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3hii n HIS 285 Cb 0.53 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 3hii n HIS 285 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hii n LYS 286 N -1.02 2.57 -1.82 -0.41 5.02 -1.26 -4.90 118.16 116.34 3hii n LYS 286 Ca 0.15 0.91 -0.40 0.00 -2.02 0.00 0.00 58.31 56.96 3hii n LYS 286 Cb 0.25 -2.67 0.01 0.00 -0.02 0.00 0.00 35.03 32.61 3hii n LYS 286 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hii s PRO 287 N -0.49 3.73 0.14 1.97 0.02 -1.26 -4.93 135.00 134.17 3hii s PRO 287 Ca 0.65 2.41 -0.12 0.00 0.02 0.00 0.00 61.00 63.95 3hii s PRO 287 Cb -0.53 -2.68 0.01 0.00 0.02 0.00 0.00 34.50 31.33 3hii s PRO 287 CO 0.49 -0.78 0.33 -0.98 -0.33 0.00 0.00 177.00 175.73 3hii s ARG 288 N -2.42 1.08 0.09 5.54 3.03 -1.26 -4.88 118.95 120.13 3hii s ARG 288 Ca 0.60 -0.92 0.00 0.00 2.03 0.00 0.00 55.73 57.44 3hii s ARG 288 Cb -0.43 0.42 0.00 0.00 -1.03 0.00 0.00 34.95 33.90 3hii s ARG 288 CO 0.56 -0.40 0.00 0.41 -1.13 0.00 0.00 175.30 174.74 3hii n GLY 289 N -0.20 -2.20 2.96 3.88 0.00 -1.26 -5.01 105.19 103.36 3hii n GLY 289 Ca -0.13 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 3hii n GLY 289 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hii s ASP 290 N -5.26 0.86 0.51 1.61 1.01 -1.26 -5.14 116.67 109.00 3hii s ASP 290 Ca 0.00 -0.13 -0.20 0.00 0.71 0.00 0.00 52.55 52.93 3hii s ASP 290 Cb 0.00 -0.19 -0.07 0.00 1.01 0.00 0.00 42.92 43.67 3hii s ASP 290 CO 0.00 0.05 1.11 -0.36 0.21 0.00 0.00 175.17 176.18 3hii s PHE 291 N 0.13 2.80 0.41 4.23 0.08 -1.26 -4.95 117.98 119.42 3hii s PHE 291 Ca -0.01 1.55 0.11 0.00 0.12 0.00 0.00 56.93 58.70 3hii s PHE 291 Cb -0.06 -3.25 0.86 0.00 -0.57 0.00 0.00 43.02 40.00 3hii s PHE 291 CO -0.00 -1.36 1.94 -1.00 -0.10 0.00 0.00 175.22 174.70 3hii h PRO 292 N 1.49 0.14 -4.06 0.24 0.13 -2.07 -3.36 132.00 124.52 3hii h PRO 292 Ca -0.50 -0.03 -0.73 0.00 -0.87 0.00 0.00 66.00 63.87 3hii h PRO 292 Cb 1.25 -0.02 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 3hii h PRO 292 CO 0.58 0.31 -0.31 -1.12 -0.23 0.00 0.00 178.00 177.22 3hii s SER 293 N -6.93 5.73 0.30 1.44 0.01 -1.26 -5.08 113.70 107.93 3hii s SER 293 Ca -0.05 -2.28 -0.29 0.00 1.31 0.00 0.00 55.95 54.64 3hii s SER 293 Cb 0.15 -1.99 -0.13 0.00 0.21 0.00 0.00 66.02 64.26 3hii s SER 293 CO 0.72 -0.59 1.35 -2.65 0.41 0.00 0.00 173.24 172.48 3hii n PRO 294 N 4.38 2.13 -3.94 12.44 -0.02 -1.26 -5.00 135.00 143.73 3hii n PRO 294 Ca -0.00 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 3hii n PRO 294 Cb 0.41 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 3hii n PRO 294 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hii s ILE 295 N -0.67 2.63 -1.26 4.25 1.01 -1.26 -4.98 121.20 120.93 3hii s ILE 295 Ca 0.60 -2.07 0.21 0.00 0.00 0.00 0.00 60.65 59.40 3hii s ILE 295 Cb -0.59 -2.80 -0.17 0.00 0.01 0.00 0.00 42.46 38.91 3hii s ILE 295 CO 0.57 -0.50 0.96 1.41 0.00 0.00 0.00 174.94 177.38 3hii n HIS 296 N 4.41 0.00 -4.49 3.97 -0.00 -1.26 -4.99 115.22 112.86 3hii n HIS 296 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.46 3hii n HIS 296 Cb 0.42 -0.01 -0.10 0.00 -0.00 0.00 0.00 29.99 30.30 3hii n HIS 296 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3hii s VAL 297 N -2.87 2.32 0.46 1.59 -7.23 -1.26 -5.12 120.40 108.30 3hii s VAL 297 Ca 0.11 -2.31 -0.23 0.00 -1.81 0.00 0.00 61.98 57.73 3hii s VAL 297 Cb 0.17 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.60 3hii s VAL 297 CO 0.79 -0.33 1.21 -0.94 -0.31 0.00 0.00 175.10 175.53 3hii s SER 298 N -3.54 6.06 1.10 4.85 1.04 -1.26 -5.03 113.70 116.92 3hii s SER 298 Ca 0.31 2.43 -0.17 0.00 0.48 0.00 0.00 55.95 58.99 3hii s SER 298 Cb -0.02 -2.61 0.24 0.00 0.10 0.00 0.00 66.02 63.74 3hii s SER 298 CO 0.15 -1.00 1.18 -0.83 0.98 0.00 0.00 173.24 173.72 3hii s GLY 299 N -1.20 1.65 0.82 7.32 0.00 -1.26 -5.00 107.32 109.65 3hii s GLY 299 Ca 0.64 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 44.23 3hii s GLY 299 CO 0.39 -0.17 1.13 -1.55 0.00 0.00 0.00 173.10 172.89 3hii n PRO 300 N -4.35 0.12 -3.99 2.90 -0.04 -1.26 -5.03 135.00 123.35 3hii n PRO 300 Ca 0.13 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 3hii n PRO 300 Cb 0.59 -2.38 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 3hii n PRO 300 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hii s ARG 301 N -4.06 0.34 0.17 0.54 0.52 -1.26 -5.14 118.95 110.06 3hii s ARG 301 Ca 0.72 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 3hii s ARG 301 Cb -0.29 0.08 -0.08 0.00 0.52 0.00 0.00 34.95 35.18 3hii s ARG 301 CO 0.52 -0.04 1.24 -0.51 0.02 0.00 0.00 175.30 176.53 3hii s LEU 302 N -1.51 4.43 0.13 2.53 1.02 -1.26 -5.06 118.68 118.96 3hii s LEU 302 Ca -0.15 2.27 0.09 0.00 0.02 0.00 0.00 54.13 56.36 3hii s LEU 302 Cb -0.10 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 3hii s LEU 302 CO -0.01 -0.45 -0.18 0.68 0.02 0.00 0.00 176.35 176.41 3hii s VAL 303 N 0.18 2.79 -0.41 -1.59 -7.23 -1.26 -4.69 120.40 108.19 3hii s VAL 303 Ca 0.55 -1.59 0.10 0.00 -1.81 0.00 0.00 61.98 59.23 3hii s VAL 303 Cb -0.34 -2.30 0.31 0.00 0.56 0.00 0.00 36.38 34.62 3hii s VAL 303 CO 0.36 0.06 0.67 1.67 -0.31 0.00 0.00 175.10 177.55 3hii n GLN 304 N 0.67 1.12 0.01 4.82 7.27 -1.26 -4.97 117.38 125.04 3hii n GLN 304 Ca -0.15 -3.49 0.14 0.00 0.07 0.00 0.00 57.00 53.57 3hii n GLN 304 Cb 0.53 -1.59 0.60 0.00 2.41 0.00 0.00 30.24 32.18 3hii n GLN 304 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 3hii h PRO 305 N 3.42 0.18 -0.01 3.69 0.13 -1.88 -0.94 132.00 136.58 3hii h PRO 305 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3hii h PRO 305 Cb 0.89 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hii h PRO 305 CO 0.53 0.12 -0.10 0.72 -0.23 0.00 0.00 178.00 179.03 3hii n HIS 306 N -4.45 0.00 -0.87 1.56 8.25 -1.26 -4.98 115.22 113.46 3hii n HIS 306 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3hii n HIS 306 Cb 0.40 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3hii n HIS 306 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hii n GLY 307 N 1.23 -2.27 3.77 -1.41 0.00 -0.36 -4.90 105.19 101.25 3hii n GLY 307 Ca 0.16 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3hii n GLY 307 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hii s PRO 308 N -0.78 3.75 0.00 1.61 0.02 -1.26 -4.93 135.00 133.41 3hii s PRO 308 Ca 0.00 2.27 0.22 0.00 0.02 0.00 0.00 61.00 63.51 3hii s PRO 308 Cb 0.00 -2.65 -0.04 0.00 0.02 0.00 0.00 34.50 31.83 3hii s PRO 308 CO 0.00 -0.71 1.01 0.54 -0.33 0.00 0.00 177.00 177.51 3hii n ARG 309 N -0.16 0.04 -3.15 5.54 1.74 -1.26 -4.90 116.66 114.51 3hii n ARG 309 Ca 0.05 -0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 3hii n ARG 309 Cb 0.43 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3hii n ARG 309 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3hii s PHE 310 N -3.03 3.51 -0.37 -1.55 -0.12 -1.26 -4.68 117.98 110.47 3hii s PHE 310 Ca 0.08 0.58 -0.05 0.00 -0.05 0.00 0.00 56.93 57.49 3hii s PHE 310 Cb 0.16 -2.08 0.07 0.00 -0.63 0.00 0.00 43.02 40.54 3hii s PHE 310 CO 0.83 0.03 0.15 1.03 -0.05 0.00 0.00 175.22 177.20 3hii s ARG 311 N -4.18 2.40 -0.28 1.99 0.52 0.12 -4.96 118.95 114.56 3hii s ARG 311 Ca 0.43 -1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 54.11 3hii s ARG 311 Cb -0.10 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 3hii s ARG 311 CO 0.36 -0.84 0.12 -1.17 0.02 0.00 0.00 175.30 173.79 3hii s LEU 312 N 1.30 3.78 -0.10 2.53 2.96 -1.26 -1.12 118.68 126.77 3hii s LEU 312 Ca 0.02 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3hii s LEU 312 Cb -0.21 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.53 3hii s LEU 312 CO -0.00 -0.09 0.05 -0.70 -1.32 0.00 0.00 176.35 174.28 3hii s GLU 313 N 1.64 0.23 7.96 1.98 2.12 -0.42 -5.01 118.70 127.20 3hii s GLU 313 Ca 0.06 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.49 3hii s GLU 313 Cb -0.16 -1.12 0.00 0.00 0.26 0.00 0.00 34.13 33.11 3hii s GLU 313 CO 0.06 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 3hii n GLY 314 N 5.22 3.95 1.50 -1.50 0.00 -1.26 -1.26 105.19 111.84 3hii n GLY 314 Ca -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 3hii n GLY 314 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hii n ASN 315 N 7.42 3.88 -4.57 1.61 6.94 -1.26 -4.96 115.26 124.32 3hii n ASN 315 Ca 0.00 -3.35 -0.34 0.00 -0.02 0.00 0.00 54.58 50.87 3hii n ASN 315 Cb 0.00 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 36.64 3hii n ASN 315 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hii s ALA 316 N -3.04 3.07 -0.05 -2.53 0.00 -0.39 -1.67 121.76 117.14 3hii s ALA 316 Ca 0.49 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3hii s ALA 316 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 22.09 3hii s ALA 316 CO 0.08 0.41 -0.15 0.08 0.00 0.00 0.00 175.76 176.19 3hii s VAL 317 N -0.30 1.28 -0.06 0.00 1.01 0.39 -1.31 120.40 121.42 3hii s VAL 317 Ca 0.05 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3hii s VAL 317 Cb -0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3hii s VAL 317 CO 0.02 0.38 -0.23 -0.76 0.00 0.00 0.00 175.10 174.51 3hii s LEU 318 N 0.29 2.16 -0.29 3.92 1.43 -0.28 -1.53 118.68 124.39 3hii s LEU 318 Ca -0.08 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3hii s LEU 318 Cb -0.13 -1.40 0.17 0.00 0.03 0.00 0.00 46.19 44.86 3hii s LEU 318 CO 0.03 0.24 0.46 -0.47 0.23 0.00 0.00 176.35 176.84 3hii s TYR 319 N -0.16 -1.24 0.00 0.29 5.04 -0.86 0.12 117.35 120.54 3hii s TYR 319 Ca -0.03 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 3hii s TYR 319 Cb -0.14 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.14 3hii s TYR 319 CO 0.04 -1.01 0.00 0.41 -1.34 0.00 0.00 175.55 173.64 3hii n GLY 320 N 5.37 1.90 0.25 8.97 0.00 -1.26 -0.27 105.19 120.15 3hii n GLY 320 Ca 0.02 0.43 0.15 0.00 0.00 0.00 0.00 46.02 46.62 3hii n GLY 320 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hii h GLY 321 N 0.00 0.00 -2.94 -0.02 0.00 -1.95 -3.47 103.07 94.69 3hii h GLY 321 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3hii h GLY 321 CO 0.00 0.00 0.16 -0.98 0.00 0.00 0.00 176.54 175.72 3hii s TRP 322 N -3.50 3.45 -0.09 5.60 0.52 0.63 -1.22 118.94 124.33 3hii s TRP 322 Ca 0.03 1.37 -0.04 0.00 0.02 0.00 0.00 56.10 57.48 3hii s TRP 322 Cb 0.08 -2.64 0.05 0.00 -1.15 0.00 0.00 33.47 29.80 3hii s TRP 322 CO 0.60 0.13 0.20 0.45 0.02 0.00 0.00 176.95 178.35 3hii s SER 323 N -2.05 0.15 0.18 2.95 0.15 -0.49 -2.03 113.70 112.56 3hii s SER 323 Ca 0.52 0.44 -0.18 0.00 0.70 0.00 0.00 55.95 57.43 3hii s SER 323 Cb -0.12 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 3hii s SER 323 CO 0.18 -0.20 0.51 0.72 1.20 0.00 0.00 173.24 175.65 3hii s PHE 324 N 1.74 -0.18 0.30 3.44 -0.12 -0.58 0.07 117.98 122.65 3hii s PHE 324 Ca -0.04 -0.15 0.10 0.00 -0.05 0.00 0.00 56.93 56.79 3hii s PHE 324 Cb -0.11 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 3hii s PHE 324 CO -0.07 -0.87 -0.04 0.00 -0.05 0.00 0.00 175.22 174.19 3hii s ALA 325 N -3.85 3.10 0.13 1.99 0.00 -0.15 -0.46 121.76 122.52 3hii s ALA 325 Ca 0.07 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 3hii s ALA 325 Cb -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3hii s ALA 325 CO -0.05 0.19 0.04 -0.59 0.00 0.00 0.00 175.76 175.35 3hii s PHE 326 N -2.44 0.90 0.18 0.00 -0.12 -0.67 0.01 117.98 115.84 3hii s PHE 326 Ca 0.32 -1.20 -0.16 0.00 -0.05 0.00 0.00 56.93 55.85 3hii s PHE 326 Cb -0.04 -0.51 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 3hii s PHE 326 CO 0.19 -0.47 0.48 -0.98 -0.05 0.00 0.00 175.22 174.39 3hii s ARG 327 N -4.02 1.32 -0.40 1.99 1.70 -0.60 -4.66 118.95 114.27 3hii s ARG 327 Ca 0.23 -0.89 0.03 0.00 -0.47 0.00 0.00 55.73 54.63 3hii s ARG 327 Cb 0.07 0.50 0.12 0.00 -0.57 0.00 0.00 34.95 35.07 3hii s ARG 327 CO 0.02 -0.55 0.16 -1.17 -1.08 0.00 0.00 175.30 172.67 3hii s LEU 328 N -2.88 3.75 -0.11 -1.89 2.96 -1.26 -0.98 118.68 118.28 3hii s LEU 328 Ca 0.10 -2.40 -0.29 0.00 -0.22 0.00 0.00 54.13 51.31 3hii s LEU 328 Cb -0.00 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 3hii s LEU 328 CO -0.03 -0.32 1.51 -0.60 -1.32 0.00 0.00 176.35 175.58 3hii s ARG 329 N 0.59 4.17 0.36 1.98 3.52 -0.20 -4.90 118.95 124.47 3hii s ARG 329 Ca 0.14 1.95 0.11 0.00 -0.13 0.00 0.00 55.73 57.80 3hii s ARG 329 Cb -0.22 -3.91 0.89 0.00 -1.56 0.00 0.00 34.95 30.16 3hii s ARG 329 CO -0.07 -0.83 1.82 0.77 -0.81 0.00 0.00 175.30 176.18 3hii h SER 330 N 9.13 0.62 0.25 -2.12 0.02 -1.86 0.27 113.55 119.86 3hii h SER 330 Ca -0.34 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3hii h SER 330 Cb 1.15 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3hii h SER 330 CO 0.96 0.24 -0.12 0.77 -1.14 0.00 0.00 176.83 177.54 3hii h SER 331 N 0.61 -0.29 0.00 3.07 4.64 -1.89 -2.14 113.55 117.55 3hii h SER 331 Ca 0.53 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.53 3hii h SER 331 Cb 1.02 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3hii h SER 331 CO -0.28 0.21 -1.80 -1.54 -0.87 0.00 0.00 176.83 172.56 3hii n SER 332 N -5.01 1.58 0.00 4.97 3.41 -1.15 -2.04 113.62 115.38 3hii n SER 332 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3hii n SER 332 Cb 0.24 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 3hii n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hii n GLY 333 N 1.85 0.12 3.75 5.00 0.00 0.94 -4.31 105.19 112.55 3hii n GLY 333 Ca -0.11 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 3hii n GLY 333 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hii s LEU 334 N 0.00 4.46 0.00 0.99 2.96 -1.26 -1.03 118.68 124.79 3hii s LEU 334 Ca 0.00 2.42 0.02 0.00 -0.22 0.00 0.00 54.13 56.35 3hii s LEU 334 Cb 0.00 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 3hii s LEU 334 CO 0.00 -0.42 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.46 3hii s GLN 335 N -0.89 0.42 -0.11 1.98 -0.21 -0.15 -2.92 119.66 117.79 3hii s GLN 335 Ca 0.51 -0.28 -0.00 0.00 0.02 0.00 0.00 55.36 55.61 3hii s GLN 335 Cb -0.36 -0.37 -0.02 0.00 1.00 0.00 0.00 33.01 33.26 3hii s GLN 335 CO 0.43 0.10 -0.09 0.14 -2.12 0.00 0.00 175.29 173.74 3hii s VAL 336 N -0.35 3.47 0.12 1.09 -7.23 -0.48 -1.56 120.40 115.47 3hii s VAL 336 Ca -0.00 -0.54 0.08 0.00 -1.81 0.00 0.00 61.98 59.71 3hii s VAL 336 Cb -0.03 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3hii s VAL 336 CO -0.00 0.55 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.38 3hii s LEU 337 N -0.15 2.34 -1.37 1.32 1.43 0.10 -1.26 118.68 121.09 3hii s LEU 337 Ca 0.01 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 3hii s LEU 337 Cb -0.13 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.26 3hii s LEU 337 CO 0.03 0.02 0.98 -3.20 0.23 0.00 0.00 176.35 174.42 3hii n ASN 338 N 0.86 -3.89 -4.66 2.29 5.15 -0.25 -0.98 115.26 113.78 3hii n ASN 338 Ca -0.18 -0.69 -0.43 0.00 -0.60 0.00 0.00 54.58 52.69 3hii n ASN 338 Cb 0.55 -4.51 -0.02 0.00 -0.53 0.00 0.00 39.78 35.27 3hii n ASN 338 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hii s VAL 339 N -3.40 4.24 0.15 3.44 1.01 0.52 -4.41 120.40 121.94 3hii s VAL 339 Ca 0.36 1.49 0.09 0.00 0.00 0.00 0.00 61.98 63.92 3hii s VAL 339 Cb -0.17 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3hii s VAL 339 CO 0.78 -0.17 -0.14 -1.00 0.00 0.00 0.00 175.10 174.56 3hii s HIS 340 N 3.64 2.57 -0.02 5.22 3.76 0.11 -0.56 115.29 130.01 3hii s HIS 340 Ca 0.56 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 3hii s HIS 340 Cb -0.21 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.17 3hii s HIS 340 CO 0.16 0.45 -0.08 0.12 -0.85 0.00 0.00 174.74 174.54 3hii s PHE 341 N -1.42 0.86 -1.43 1.40 5.36 -0.39 -1.40 117.98 120.96 3hii s PHE 341 Ca 0.21 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 3hii s PHE 341 Cb -0.10 -0.62 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 3hii s PHE 341 CO 0.12 -0.09 0.00 0.41 -1.46 0.00 0.00 175.22 174.20 3hii n GLY 342 N 3.30 1.22 2.05 13.12 0.00 -0.36 -2.00 105.19 122.52 3hii n GLY 342 Ca -0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 3hii n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hii n GLY 343 N -1.24 0.47 3.23 -0.02 0.00 -1.26 -5.04 105.19 101.32 3hii n GLY 343 Ca -0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3hii n GLY 343 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hii s GLU 344 N -0.41 1.98 0.37 1.61 2.02 -0.85 -5.09 118.70 118.34 3hii s GLU 344 Ca 0.00 -0.78 -0.27 0.00 0.02 0.00 0.00 54.97 53.94 3hii s GLU 344 Cb 0.00 -1.80 -0.09 0.00 0.10 0.00 0.00 34.13 32.34 3hii s GLU 344 CO 0.00 0.40 1.25 0.50 0.02 0.00 0.00 175.26 177.44 3hii s ARG 345 N -0.31 4.16 -0.02 1.61 3.52 -1.26 -1.26 118.95 125.39 3hii s ARG 345 Ca 0.03 2.07 -0.00 0.00 -0.13 0.00 0.00 55.73 57.69 3hii s ARG 345 Cb -0.10 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.41 3hii s ARG 345 CO 0.01 -0.30 -0.02 -0.89 -0.81 0.00 0.00 175.30 173.29 3hii n ILE 346 N 0.40 0.12 -3.74 4.11 5.41 0.28 -1.02 119.36 124.92 3hii n ILE 346 Ca 0.02 -0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 3hii n ILE 346 Cb 0.44 -0.97 -0.14 0.00 -0.71 0.00 0.00 39.64 38.26 3hii n ILE 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hii s ALA 347 N -2.04 -0.33 0.20 -1.39 0.00 -1.06 -1.07 121.76 116.07 3hii s ALA 347 Ca -0.03 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3hii s ALA 347 Cb 0.01 -0.51 0.14 0.00 0.00 0.00 0.00 23.12 22.76 3hii s ALA 347 CO 0.04 -0.18 1.49 -0.92 0.00 0.00 0.00 175.76 176.20 3hii h TYR 348 N 7.27 0.44 -2.28 0.00 3.20 -0.96 0.15 116.97 124.78 3hii h TYR 348 Ca -0.42 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.21 3hii h TYR 348 Cb 1.14 -0.07 -0.22 0.00 1.54 0.00 0.00 36.73 39.12 3hii h TYR 348 CO 0.41 0.90 -0.04 -2.00 -1.64 0.00 0.00 178.16 175.79 3hii s GLU 349 N -3.69 0.67 -0.09 1.82 2.12 -1.14 -1.09 118.70 117.30 3hii s GLU 349 Ca -0.05 0.89 -0.01 0.00 0.36 0.00 0.00 54.97 56.17 3hii s GLU 349 Cb 0.11 0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.79 3hii s GLU 349 CO 0.82 -0.10 -0.04 0.08 -0.54 0.00 0.00 175.26 175.48 3hii s VAL 350 N 0.65 0.69 -0.05 3.70 1.01 -0.39 -0.03 120.40 125.98 3hii s VAL 350 Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3hii s VAL 350 Cb -0.05 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3hii s VAL 350 CO -0.04 0.31 0.28 -0.94 0.00 0.00 0.00 175.10 174.71 3hii s SER 351 N 1.73 -0.21 0.15 3.32 1.04 -0.23 -1.38 113.70 118.12 3hii s SER 351 Ca 0.03 0.25 -0.31 0.00 0.48 0.00 0.00 55.95 56.40 3hii s SER 351 Cb -0.13 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 3hii s SER 351 CO -0.06 -0.30 1.42 -0.69 0.98 0.00 0.00 173.24 174.59 3hii s VAL 352 N -0.76 3.08 -0.14 5.02 1.01 -1.15 -0.56 120.40 126.90 3hii s VAL 352 Ca -0.08 0.80 0.03 0.00 0.00 0.00 0.00 61.98 62.72 3hii s VAL 352 Cb -0.04 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 3hii s VAL 352 CO 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 175.10 175.10 3hii n GLN 353 N 3.58 0.63 -3.52 2.72 1.13 0.07 -4.65 117.38 117.34 3hii n GLN 353 Ca 0.11 0.07 -0.12 0.00 -1.94 0.00 0.00 57.00 55.12 3hii n GLN 353 Cb 0.41 -1.30 -0.04 0.00 0.11 0.00 0.00 30.24 29.42 3hii n GLN 353 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3hii s GLU 354 N -2.30 0.86 -0.09 -1.09 2.56 -1.18 -4.43 118.70 113.03 3hii s GLU 354 Ca -0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.97 54.73 3hii s GLU 354 Cb 0.05 0.40 0.05 0.00 2.00 0.00 0.00 34.13 36.63 3hii s GLU 354 CO 0.36 -0.32 0.19 0.00 -0.56 0.00 0.00 175.26 174.94 3hii s ALA 355 N -2.02 -0.34 0.12 6.30 0.00 -1.26 -1.11 121.76 123.44 3hii s ALA 355 Ca -0.02 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.74 3hii s ALA 355 Cb -0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3hii s ALA 355 CO -0.01 -0.41 -0.13 0.14 0.00 0.00 0.00 175.76 175.35 3hii s VAL 356 N 1.84 1.23 -0.15 0.00 -7.23 0.42 -1.26 120.40 115.24 3hii s VAL 356 Ca -0.03 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3hii s VAL 356 Cb -0.12 -1.48 0.05 0.00 0.56 0.00 0.00 36.38 35.39 3hii s VAL 356 CO -0.07 -0.45 0.03 0.00 -0.31 0.00 0.00 175.10 174.30 3hii s ALA 357 N -2.20 0.86 -0.26 1.32 0.00 -0.63 -1.22 121.76 119.63 3hii s ALA 357 Ca 0.08 -0.49 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 3hii s ALA 357 Cb -0.04 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 3hii s ALA 357 CO 0.02 -0.95 0.04 -0.51 0.00 0.00 0.00 175.76 174.36 3hii s LEU 358 N 1.92 3.50 0.19 0.00 1.43 -0.44 -1.44 118.68 123.84 3hii s LEU 358 Ca 0.01 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 3hii s LEU 358 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3hii s LEU 358 CO -0.07 -0.11 0.17 -0.31 0.23 0.00 0.00 176.35 176.26 3hii s TYR 359 N 1.51 3.16 0.28 0.29 2.02 -0.28 -1.83 117.35 122.51 3hii s TYR 359 Ca 0.04 -0.04 0.11 0.00 -0.37 0.00 0.00 57.07 56.81 3hii s TYR 359 Cb -0.16 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.87 3hii s TYR 359 CO 0.01 0.52 -0.10 0.20 -1.57 0.00 0.00 175.55 174.61 3hii s GLY 360 N -3.36 1.81 -0.03 0.71 0.00 -0.80 -4.72 107.32 100.93 3hii s GLY 360 Ca 0.32 -1.79 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 3hii s GLY 360 CO 0.24 -1.86 0.93 -0.32 0.00 0.00 0.00 173.10 172.10 3hii s GLY 361 N -3.60 -0.44 0.05 0.20 0.00 -1.25 -4.28 107.32 98.01 3hii s GLY 361 Ca 0.31 1.08 0.09 0.00 0.00 0.00 0.00 44.72 46.20 3hii s GLY 361 CO 0.17 0.36 1.01 1.12 0.00 0.00 0.00 173.10 175.76 3hii h HIS 362 N 2.00 0.03 -3.47 1.90 2.07 -1.86 -3.36 115.15 112.46 3hii h HIS 362 Ca -0.20 -0.02 -0.49 0.00 -2.85 0.00 0.00 60.37 56.80 3hii h HIS 362 Cb 1.23 -0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.23 3hii h HIS 362 CO 0.26 1.02 0.04 0.95 -3.07 0.00 0.00 177.93 177.14 3hii s THR 363 N -2.66 4.92 0.25 6.12 -4.23 -1.26 -4.94 115.64 113.84 3hii s THR 363 Ca -0.02 0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 60.65 3hii s THR 363 Cb 0.09 -3.81 0.24 0.00 1.34 0.00 0.00 72.50 70.36 3hii s THR 363 CO 0.82 -0.66 1.90 -0.65 -0.54 0.00 0.00 174.62 175.50 3hii h PRO 364 N 0.75 1.20 -0.69 3.99 0.11 -1.98 -1.17 132.00 134.21 3hii h PRO 364 Ca -0.47 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 3hii h PRO 364 Cb 1.20 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3hii h PRO 364 CO 0.63 0.80 0.43 0.00 -0.21 0.00 0.00 178.00 179.64 3hii h ALA 365 N 1.38 0.87 -0.22 -0.75 0.00 -1.94 -1.57 119.26 117.03 3hii h ALA 365 Ca 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3hii h ALA 365 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hii h ALA 365 CO -0.11 0.33 0.02 0.78 0.00 0.00 0.00 179.25 180.28 3hii h GLY 366 N 0.93 0.41 2.00 0.00 0.00 -1.78 -2.58 103.07 102.05 3hii h GLY 366 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3hii h GLY 366 CO -0.05 0.26 0.00 1.15 0.00 0.00 0.00 176.54 177.90 3hii n MET 367 N -4.70 0.05 0.07 4.80 0.00 -0.49 -2.79 117.12 114.07 3hii n MET 367 Ca -0.04 0.22 0.01 0.00 0.00 0.00 0.00 57.70 57.89 3hii n MET 367 Cb 0.21 -1.58 -0.04 0.00 0.00 0.00 0.00 33.22 31.81 3hii n MET 367 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3hii h GLN 368 N 0.00 0.00 -6.55 3.17 5.75 -0.91 -3.46 115.11 113.11 3hii h GLN 368 Ca 0.00 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.94 3hii h GLN 368 Cb 0.35 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.85 3hii h GLN 368 CO 0.00 0.37 1.05 0.99 -2.65 0.00 0.00 178.83 178.59 3hii s THR 369 N -2.95 3.94 -0.42 2.39 2.01 -1.03 -4.09 115.64 115.49 3hii s THR 369 Ca -0.00 0.93 0.02 0.00 0.31 0.00 0.00 61.69 62.95 3hii s THR 369 Cb 0.08 -4.32 0.12 0.00 0.01 0.00 0.00 72.50 68.40 3hii s THR 369 CO 0.79 -0.88 0.20 -0.54 -0.69 0.00 0.00 174.62 173.50 3hii s LYS 370 N 4.95 1.28 -0.10 4.92 1.02 -0.19 -1.12 119.74 130.50 3hii s LYS 370 Ca 0.57 -1.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 3hii s LYS 370 Cb -0.12 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3hii s LYS 370 CO 0.31 -1.10 1.02 0.71 -0.92 0.00 0.00 175.35 175.37 3hii s TYR 371 N 0.56 3.49 -0.34 3.18 2.02 -0.52 -4.00 117.35 121.74 3hii s TYR 371 Ca 0.15 1.57 -0.03 0.00 -0.37 0.00 0.00 57.07 58.40 3hii s TYR 371 Cb -0.23 -3.20 0.07 0.00 -0.40 0.00 0.00 41.96 38.20 3hii s TYR 371 CO -0.05 -0.29 0.08 -0.51 -1.57 0.00 0.00 175.55 173.21 3hii s LEU 372 N 2.05 4.39 0.43 -1.29 1.02 -1.26 -1.60 118.68 122.42 3hii s LEU 372 Ca 0.49 -1.51 0.24 0.00 0.02 0.00 0.00 54.13 53.36 3hii s LEU 372 Cb -0.19 -1.77 0.85 0.00 0.02 0.00 0.00 46.19 45.11 3hii s LEU 372 CO 0.18 -0.36 1.79 0.44 0.02 0.00 0.00 176.35 178.42 3hii h ASP 373 N 8.03 0.00 0.18 2.29 3.32 -1.58 -1.28 116.42 127.39 3hii h ASP 373 Ca -0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3hii h ASP 373 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 3hii h ASP 373 CO 0.59 0.23 -0.04 0.58 -1.72 0.00 0.00 179.24 178.88 3hii h VAL 374 N 0.00 0.40 0.00 -1.35 2.07 -1.84 0.12 116.25 115.65 3hii h VAL 374 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3hii h VAL 374 Cb 0.80 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3hii h VAL 374 CO 0.03 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.27 3hii n GLY 375 N -0.98 -0.74 0.04 2.17 0.00 -0.48 -2.53 105.19 102.68 3hii n GLY 375 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3hii n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hii n TRP 376 N -1.40 0.00 -2.60 1.61 7.02 0.39 -4.68 117.44 117.77 3hii n TRP 376 Ca 0.03 -0.64 -0.09 0.00 -1.02 0.00 0.00 57.50 55.78 3hii n TRP 376 Cb 0.10 -0.08 0.04 0.00 -2.42 0.00 0.00 31.31 28.95 3hii n TRP 376 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hii n GLY 377 N -0.80 -0.35 0.38 6.99 0.00 -1.05 -4.88 105.19 105.48 3hii n GLY 377 Ca 0.06 0.23 0.21 0.00 0.00 0.00 0.00 46.02 46.52 3hii n GLY 377 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hii h LEU 378 N -0.71 0.55 -0.19 0.99 5.85 -1.24 -0.84 115.31 119.73 3hii h LEU 378 Ca -0.38 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3hii h LEU 378 Cb 1.19 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3hii h LEU 378 CO 0.27 0.07 -0.04 0.61 -0.34 0.00 0.00 178.44 179.01 3hii n GLY 379 N -1.39 -0.92 0.10 3.75 0.00 -0.93 -3.83 105.19 101.98 3hii n GLY 379 Ca 0.27 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.09 3hii n GLY 379 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hii n SER 380 N -0.90 2.27 -1.95 1.61 3.41 -0.32 -4.37 113.62 113.36 3hii n SER 380 Ca 0.18 -2.45 -0.23 0.00 -0.26 0.00 0.00 58.87 56.11 3hii n SER 380 Cb 0.22 -0.20 0.07 0.00 -0.26 0.00 0.00 64.21 64.04 3hii n SER 380 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hii n VAL 381 N -0.79 2.84 -2.35 -3.33 0.24 -1.21 -4.90 118.33 108.82 3hii n VAL 381 Ca 0.08 -3.62 -0.43 0.00 -2.04 0.00 0.00 64.34 58.33 3hii n VAL 381 Cb 0.43 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 3hii n VAL 381 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hii n THR 382 N -0.84 3.95 -2.09 3.34 -2.24 -1.25 -1.50 114.28 113.66 3hii n THR 382 Ca 0.47 -3.98 -0.27 0.00 -2.27 0.00 0.00 64.05 58.00 3hii n THR 382 Cb 0.89 -2.45 0.08 0.00 -2.10 0.00 0.00 70.33 66.76 3hii n THR 382 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hii s HIS 383 N 2.55 2.83 0.09 4.78 3.76 -1.26 -4.41 115.29 123.62 3hii s HIS 383 Ca 0.47 0.53 -0.31 0.00 -0.15 0.00 0.00 55.06 55.60 3hii s HIS 383 Cb 0.07 -3.35 -0.09 0.00 1.11 0.00 0.00 32.58 30.32 3hii s HIS 383 CO -0.00 -1.61 1.76 -2.00 -0.85 0.00 0.00 174.74 172.03 3hii s GLU 384 N -5.40 4.16 -0.06 1.40 2.12 -1.26 -4.65 118.70 115.02 3hii s GLU 384 Ca 0.62 2.47 -0.30 0.00 0.36 0.00 0.00 54.97 58.12 3hii s GLU 384 Cb -0.10 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 3hii s GLU 384 CO 0.47 -0.80 1.11 -0.51 -0.54 0.00 0.00 175.26 174.98 3hii s LEU 385 N 2.85 4.28 -0.34 2.70 1.43 -0.33 -5.01 118.68 124.26 3hii s LEU 385 Ca 0.78 1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 55.33 3hii s LEU 385 Cb -0.43 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.25 3hii s LEU 385 CO 0.35 -0.50 0.96 0.00 0.23 0.00 0.00 176.35 177.39 3hii s ALA 386 N 1.96 3.45 0.18 4.21 0.00 -1.26 -4.93 121.76 125.37 3hii s ALA 386 Ca 0.53 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.86 3hii s ALA 386 Cb -0.22 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.24 3hii s ALA 386 CO 0.21 -1.51 1.57 -2.14 0.00 0.00 0.00 175.76 173.89 3hii s PRO 387 N 3.47 4.21 0.00 0.00 0.02 -1.26 -1.10 135.00 140.34 3hii s PRO 387 Ca 0.40 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3hii s PRO 387 Cb -0.12 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3hii s PRO 387 CO 0.17 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 3hii n GLY 388 N 3.61 1.86 0.92 0.52 0.00 0.58 -4.79 105.19 107.88 3hii n GLY 388 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 3hii n GLY 388 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hii n ILE 389 N -2.00 0.42 0.00 -0.61 5.41 -0.55 -4.73 119.36 117.30 3hii n ILE 389 Ca 0.00 0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.82 3hii n ILE 389 Cb 0.00 -1.26 0.07 0.00 -0.71 0.00 0.00 39.64 37.74 3hii n ILE 389 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hii h ASP 390 N -0.03 0.61 -4.86 4.38 3.32 -1.44 -3.45 116.42 114.95 3hii h ASP 390 Ca 0.00 -0.31 -0.21 0.00 0.02 0.00 0.00 57.03 56.52 3hii h ASP 390 Cb 0.03 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 39.26 3hii h ASP 390 CO 0.00 1.01 -0.67 0.00 -1.72 0.00 0.00 179.24 177.86 3hii n PRO 392 N -0.08 0.51 0.27 0.00 -0.02 -1.26 -0.31 135.00 134.11 3hii n PRO 392 Ca -0.10 0.24 0.18 0.00 -2.02 0.00 0.00 63.50 61.80 3hii n PRO 392 Cb 0.62 -2.36 0.93 0.00 -0.02 0.00 0.00 33.50 32.67 3hii n PRO 392 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hii h GLU 393 N -0.34 0.00 -0.01 -0.52 3.07 -1.86 -0.56 114.58 114.35 3hii h GLU 393 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3hii h GLU 393 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 3hii h GLU 393 CO 0.48 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.34 3hii n THR 394 N -3.58 0.00 -1.86 1.13 -2.24 -1.26 -4.83 114.28 101.64 3hii n THR 394 Ca -0.01 -0.15 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 3hii n THR 394 Cb 0.22 0.08 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 3hii n THR 394 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hii s ALA 395 N -2.00 2.57 -0.20 6.98 0.00 -0.22 -4.93 121.76 123.97 3hii s ALA 395 Ca 0.42 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 3hii s ALA 395 Cb 0.21 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3hii s ALA 395 CO 0.35 -1.10 0.72 0.99 0.00 0.00 0.00 175.76 176.71 3hii s THR 396 N -2.37 4.95 -0.10 0.00 2.01 -0.02 -4.95 115.64 115.15 3hii s THR 396 Ca 0.66 1.38 -0.03 0.00 0.31 0.00 0.00 61.69 64.00 3hii s THR 396 Cb -0.19 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 3hii s THR 396 CO 0.40 0.05 0.03 -0.36 -0.69 0.00 0.00 174.62 174.05 3hii s PHE 397 N 2.17 3.24 -0.03 4.92 0.40 -1.26 -0.71 117.98 126.71 3hii s PHE 397 Ca 0.32 0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.91 3hii s PHE 397 Cb -0.16 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.52 3hii s PHE 397 CO 0.10 0.46 -0.16 -0.51 0.70 0.00 0.00 175.22 175.82 3hii s LEU 398 N -0.73 1.92 0.55 -0.37 1.43 0.15 -4.91 118.68 116.72 3hii s LEU 398 Ca 0.12 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 3hii s LEU 398 Cb -0.12 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 3hii s LEU 398 CO 0.02 0.15 0.91 -1.81 0.23 0.00 0.00 176.35 175.86 3hii s ASP 399 N -0.02 6.26 0.30 2.29 1.01 -1.26 -0.74 116.67 124.51 3hii s ASP 399 Ca -0.02 1.20 0.00 0.00 0.71 0.00 0.00 52.55 54.45 3hii s ASP 399 Cb -0.10 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 3hii s ASP 399 CO 0.01 -0.72 0.33 0.28 0.21 0.00 0.00 175.17 175.28 3hii s THR 400 N -2.95 0.00 -0.03 -1.27 -1.32 -0.64 -4.83 115.64 104.59 3hii s THR 400 Ca 0.52 -1.81 0.06 0.00 -1.21 0.00 0.00 61.69 59.25 3hii s THR 400 Cb -0.11 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 3hii s THR 400 CO 0.49 0.00 -0.22 -0.36 -2.21 0.00 0.00 174.62 172.32 3hii s PHE 401 N -3.51 2.04 0.02 9.09 0.40 -1.26 -0.27 117.98 124.50 3hii s PHE 401 Ca 0.35 -0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.28 3hii s PHE 401 Cb 0.02 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 3hii s PHE 401 CO 0.20 -0.10 -0.20 -1.01 0.70 0.00 0.00 175.22 174.81 3hii s HIS 402 N -0.35 1.80 -0.41 0.36 3.76 -0.69 -4.94 115.29 114.82 3hii s HIS 402 Ca 0.04 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.62 3hii s HIS 402 Cb -0.10 -1.10 0.11 0.00 1.11 0.00 0.00 32.58 32.60 3hii s HIS 402 CO 0.01 0.05 0.14 -0.47 -0.85 0.00 0.00 174.74 173.61 3hii s TYR 403 N -0.69 3.29 -0.17 1.40 5.04 -1.26 -1.46 117.35 123.50 3hii s TYR 403 Ca 0.07 -2.94 -0.04 0.00 -2.44 0.00 0.00 57.07 51.73 3hii s TYR 403 Cb -0.08 -2.73 0.08 0.00 0.35 0.00 0.00 41.96 39.57 3hii s TYR 403 CO 0.01 -0.86 0.20 -0.47 -1.34 0.00 0.00 175.55 173.09 3hii s TYR 404 N 0.49 -0.22 -1.28 4.97 5.04 -1.26 -2.29 117.35 122.80 3hii s TYR 404 Ca 0.13 0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 55.02 3hii s TYR 404 Cb -0.22 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 41.74 3hii s TYR 404 CO -0.06 -0.51 0.66 -3.47 -1.34 0.00 0.00 175.55 170.83 3hii n ASP 405 N 5.32 -2.07 -4.02 4.32 2.03 0.61 -4.99 116.55 117.74 3hii n ASP 405 Ca -0.05 -0.90 -0.08 0.00 0.52 0.00 0.00 54.79 54.28 3hii n ASP 405 Cb 0.50 -3.72 -0.09 0.00 -0.72 0.00 0.00 41.12 37.08 3hii n ASP 405 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hii s ALA 406 N -3.69 0.29 0.00 -1.67 0.00 -1.26 -4.88 121.76 110.55 3hii s ALA 406 Ca 0.12 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.19 3hii s ALA 406 Cb -0.04 0.31 -0.18 0.00 0.00 0.00 0.00 23.12 23.22 3hii s ALA 406 CO 0.84 -0.39 1.03 -0.44 0.00 0.00 0.00 175.76 176.80 3hii h ASP 407 N 3.15 0.00 -5.24 0.00 3.32 -1.94 -3.40 116.42 112.31 3hii h ASP 407 Ca -0.34 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 3hii h ASP 407 Cb 1.16 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.56 3hii h ASP 407 CO 0.62 0.89 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.63 3hii s ASP 408 N -6.35 0.36 0.41 6.45 1.01 -1.26 -4.95 116.67 112.34 3hii s ASP 408 Ca -0.01 -0.92 -0.26 0.00 0.71 0.00 0.00 52.55 52.07 3hii s ASP 408 Cb 0.09 0.25 -0.10 0.00 1.01 0.00 0.00 42.92 44.17 3hii s ASP 408 CO 0.81 -0.66 1.29 -2.65 0.21 0.00 0.00 175.17 174.17 3hii n PRO 409 N 0.03 2.00 -5.16 8.23 -0.02 -1.26 -4.84 135.00 133.98 3hii n PRO 409 Ca -0.13 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3hii n PRO 409 Cb 0.62 -2.39 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 3hii n PRO 409 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hii s VAL 410 N -1.18 2.23 -0.06 -1.45 1.01 -0.54 -3.77 120.40 116.64 3hii s VAL 410 Ca 0.60 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3hii s VAL 410 Cb -0.52 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3hii s VAL 410 CO 0.59 0.56 0.94 -2.28 0.00 0.00 0.00 175.10 174.91 3hii s HIS 411 N 0.20 3.57 -0.36 5.22 2.46 0.58 -1.70 115.29 125.26 3hii s HIS 411 Ca -0.14 1.56 -0.02 0.00 0.47 0.00 0.00 55.06 56.94 3hii s HIS 411 Cb -0.17 -3.10 0.09 0.00 -0.13 0.00 0.00 32.58 29.28 3hii s HIS 411 CO 0.07 -0.10 0.11 0.71 -2.47 0.00 0.00 174.74 173.06 3hii s TYR 412 N 1.47 3.50 0.25 3.88 1.51 0.63 -2.75 117.35 125.84 3hii s TYR 412 Ca 0.47 -2.29 -0.30 0.00 -1.01 0.00 0.00 57.07 53.95 3hii s TYR 412 Cb -0.19 -2.80 -0.09 0.00 -0.11 0.00 0.00 41.96 38.77 3hii s TYR 412 CO 0.21 -0.91 1.22 -1.25 -1.11 0.00 0.00 175.55 173.71 3hii s PRO 413 N 1.15 4.48 -1.38 -1.71 0.05 -1.26 -1.63 135.00 134.71 3hii s PRO 413 Ca 0.04 1.97 -0.01 0.00 0.05 0.00 0.00 61.00 63.05 3hii s PRO 413 Cb -0.21 -3.17 -0.00 0.00 0.05 0.00 0.00 34.50 31.16 3hii s PRO 413 CO -0.04 -0.05 0.48 0.54 0.05 0.00 0.00 177.00 177.99 3hii n ARG 414 N 1.72 -3.53 0.04 4.56 1.74 -1.19 -4.02 116.66 115.98 3hii n ARG 414 Ca 0.02 0.45 -0.07 0.00 -0.77 0.00 0.00 57.85 57.48 3hii n ARG 414 Cb 0.44 -4.64 0.10 0.00 -1.02 0.00 0.00 32.46 27.34 3hii n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hii h ALA 415 N 0.84 0.82 -2.22 7.54 0.00 -1.01 -0.87 119.26 124.36 3hii h ALA 415 Ca -0.63 -0.50 -0.42 0.00 0.00 0.00 0.00 54.91 53.37 3hii h ALA 415 Cb 1.37 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 3hii h ALA 415 CO 0.61 0.68 -0.73 -0.51 0.00 0.00 0.00 179.25 179.30 3hii s LEU 416 N -8.23 2.55 0.04 0.00 1.02 -0.98 -4.31 118.68 108.76 3hii s LEU 416 Ca -0.06 -1.02 -0.00 0.00 0.02 0.00 0.00 54.13 53.07 3hii s LEU 416 Cb 0.12 -0.58 -0.03 0.00 0.02 0.00 0.00 46.19 45.72 3hii s LEU 416 CO 0.82 -0.22 -0.04 0.00 0.02 0.00 0.00 176.35 176.93 3hii s LEU 418 N -2.11 1.37 -0.03 0.00 2.96 0.12 -1.13 118.68 119.85 3hii s LEU 418 Ca -0.05 -0.13 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 3hii s LEU 418 Cb -0.02 -0.45 0.06 0.00 0.50 0.00 0.00 46.19 46.27 3hii s LEU 418 CO -0.04 -0.05 0.61 0.72 -1.32 0.00 0.00 176.35 176.27 3hii s PHE 419 N 0.86 -0.57 -0.11 5.38 -0.12 -0.60 -0.84 117.98 121.98 3hii s PHE 419 Ca -0.12 0.92 -0.09 0.00 -0.05 0.00 0.00 56.93 57.59 3hii s PHE 419 Cb -0.14 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 3hii s PHE 419 CO 0.00 -0.59 0.20 -2.00 -0.05 0.00 0.00 175.22 172.79 3hii s GLU 420 N -1.39 3.71 0.00 1.99 2.12 -1.26 -0.25 118.70 123.62 3hii s GLU 420 Ca -0.11 -0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 3hii s GLU 420 Cb -0.01 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 3hii s GLU 420 CO 0.08 0.64 0.01 0.00 -0.54 0.00 0.00 175.26 175.45 3hii s MET 421 N -0.70 0.19 0.21 4.30 0.23 -0.24 -4.97 119.30 118.32 3hii s MET 421 Ca 0.16 -0.28 -0.30 0.00 -1.03 0.00 0.00 55.69 54.24 3hii s MET 421 Cb -0.13 0.07 -0.09 0.00 -1.53 0.00 0.00 34.83 33.15 3hii s MET 421 CO 0.05 -0.03 1.32 -2.14 -2.03 0.00 0.00 175.02 172.18 3hii s PRO 422 N -0.73 4.38 0.29 3.16 0.02 -1.26 -1.29 135.00 139.57 3hii s PRO 422 Ca -0.08 2.08 0.25 0.00 0.02 0.00 0.00 61.00 63.27 3hii s PRO 422 Cb -0.05 -3.18 0.74 0.00 0.02 0.00 0.00 34.50 32.03 3hii s PRO 422 CO -0.00 -0.25 1.74 1.79 -0.33 0.00 0.00 177.00 179.94 3hii h THR 423 N 3.68 0.00 0.00 0.99 1.35 -1.69 -3.47 112.91 113.77 3hii h THR 423 Ca -0.45 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3hii h THR 423 Cb 1.22 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3hii h THR 423 CO 0.76 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3hii n GLY 424 N 1.06 1.80 3.00 5.82 0.00 -1.26 -5.02 105.19 110.58 3hii n GLY 424 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3hii n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hii s VAL 425 N -3.18 0.85 0.59 1.61 0.11 -1.26 -5.01 120.40 114.11 3hii s VAL 425 Ca 0.00 -0.38 -0.19 0.00 -2.93 0.00 0.00 61.98 58.48 3hii s VAL 425 Cb 0.00 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 3hii s VAL 425 CO 0.00 0.27 1.24 -2.16 -3.33 0.00 0.00 175.10 171.12 3hii s PRO 426 N 0.34 2.97 0.18 1.54 0.04 -1.26 -3.50 135.00 135.31 3hii s PRO 426 Ca -0.06 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 3hii s PRO 426 Cb -0.11 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.52 3hii s PRO 426 CO 0.01 -1.23 1.68 1.25 0.04 0.00 0.00 177.00 178.74 3hii h LEU 427 N 0.98 0.98 -7.37 -3.56 6.46 -1.26 -3.44 115.31 108.11 3hii h LEU 427 Ca -0.51 -0.26 -0.10 0.00 -0.12 0.00 0.00 57.88 56.89 3hii h LEU 427 Cb 1.30 -0.26 -0.20 0.00 -0.73 0.00 0.00 40.66 40.77 3hii h LEU 427 CO 0.55 0.99 -0.16 0.00 -0.62 0.00 0.00 178.44 179.20 3hii s ARG 428 N -5.22 0.72 0.02 1.25 1.70 -1.25 -5.03 118.95 111.15 3hii s ARG 428 Ca -0.12 0.04 -0.22 0.00 -0.47 0.00 0.00 55.73 54.96 3hii s ARG 428 Cb 0.13 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.89 3hii s ARG 428 CO 0.84 -0.19 0.49 -0.98 -1.08 0.00 0.00 175.30 174.37 3hii s ARG 429 N -1.03 0.96 -0.20 3.89 1.04 -1.26 -1.26 118.95 121.08 3hii s ARG 429 Ca -0.11 -0.19 -0.13 0.00 -1.04 0.00 0.00 55.73 54.27 3hii s ARG 429 Cb -0.04 0.44 0.06 0.00 -2.04 0.00 0.00 34.95 33.37 3hii s ARG 429 CO 0.05 -0.33 0.50 -1.58 -0.04 0.00 0.00 175.30 173.91 3hii s HIS 430 N -2.12 -0.71 -0.42 5.89 2.46 0.21 -4.99 115.29 115.62 3hii s HIS 430 Ca -0.07 1.52 -0.13 0.00 0.47 0.00 0.00 55.06 56.85 3hii s HIS 430 Cb -0.01 0.34 0.05 0.00 -0.13 0.00 0.00 32.58 32.83 3hii s HIS 430 CO 0.01 -0.37 0.29 0.12 -2.47 0.00 0.00 174.74 172.31 3hii s PHE 431 N 1.20 3.26 -0.90 3.88 2.19 -1.26 -1.49 117.98 124.85 3hii s PHE 431 Ca -0.07 -0.96 -0.18 0.00 0.33 0.00 0.00 56.93 56.04 3hii s PHE 431 Cb -0.06 -2.75 0.14 0.00 -1.31 0.00 0.00 43.02 39.03 3hii s PHE 431 CO -0.11 -0.71 1.08 1.21 1.83 0.00 0.00 175.22 178.52 3hii s ASN 432 N 1.95 6.61 0.60 6.13 3.84 0.02 -5.02 114.94 129.07 3hii s ASN 432 Ca 0.03 -2.04 -0.18 0.00 0.21 0.00 0.00 52.86 50.89 3hii s ASN 432 Cb -0.21 -2.38 -0.03 0.00 -0.55 0.00 0.00 41.25 38.08 3hii s ASN 432 CO 0.07 -1.04 1.14 -0.55 -2.79 0.00 0.00 177.10 173.93 3hii s SER 433 N 3.51 5.31 0.00 -4.21 0.15 -1.26 -0.10 113.70 117.11 3hii s SER 433 Ca 0.31 2.17 0.24 0.00 0.70 0.00 0.00 55.95 59.36 3hii s SER 433 Cb -0.06 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 62.09 3hii s SER 433 CO -0.08 -1.50 1.39 -0.46 1.20 0.00 0.00 173.24 173.79 3hii n ASN 434 N -1.81 2.94 -1.67 5.45 0.23 -0.86 -4.52 115.26 115.02 3hii n ASN 434 Ca 0.12 -1.93 -0.18 0.00 -0.53 0.00 0.00 54.58 52.06 3hii n ASN 434 Cb 0.51 -0.12 -0.06 0.00 -2.08 0.00 0.00 39.78 38.03 3hii n ASN 434 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3hii n PHE 435 N 1.21 -0.34 -2.46 -2.53 3.01 -1.26 -4.78 117.46 110.32 3hii n PHE 435 Ca 0.17 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.62 3hii n PHE 435 Cb 0.56 -3.16 0.05 0.00 -0.01 0.00 0.00 39.48 36.92 3hii n PHE 435 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hii n LYS 436 N -2.30 1.29 -0.83 -1.08 5.02 -1.26 -4.95 118.16 114.04 3hii n LYS 436 Ca -0.18 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 3hii n LYS 436 Cb 0.59 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 3hii n LYS 436 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hii n GLY 437 N -0.26 0.69 0.00 0.72 0.00 -1.26 -4.99 105.19 100.09 3hii n GLY 437 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3hii n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hii n GLY 438 N -2.57 4.76 3.33 -0.02 0.00 -1.26 -5.07 105.19 104.36 3hii n GLY 438 Ca 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 3hii n GLY 438 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hii s PHE 439 N 0.11 0.03 -0.16 1.61 -0.00 -1.26 -2.03 117.98 116.29 3hii s PHE 439 Ca 0.00 -0.40 0.10 0.00 -0.00 0.00 0.00 56.93 56.64 3hii s PHE 439 Cb 0.00 0.13 -0.23 0.00 -0.00 0.00 0.00 43.02 42.92 3hii s PHE 439 CO 0.00 -0.70 0.22 0.09 -0.00 0.00 0.00 175.22 174.83 3hii n ASN 440 N -0.20 0.90 -3.57 1.98 3.02 0.86 -4.67 115.26 113.58 3hii n ASN 440 Ca -0.13 0.12 -0.06 0.00 -0.03 0.00 0.00 54.58 54.48 3hii n ASN 440 Cb 0.63 0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.96 3hii n ASN 440 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3hii s PHE 441 N -2.54 -0.22 -0.07 3.10 -0.71 -1.20 -4.34 117.98 112.00 3hii s PHE 441 Ca -0.15 0.20 0.02 0.00 -1.04 0.00 0.00 56.93 55.97 3hii s PHE 441 Cb 0.07 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 3hii s PHE 441 CO 0.78 -0.30 -0.12 -0.47 -1.34 0.00 0.00 175.22 173.76 3hii s TYR 442 N -2.28 2.79 -0.01 3.49 5.04 -0.48 -0.80 117.35 125.09 3hii s TYR 442 Ca 0.06 -0.20 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 3hii s TYR 442 Cb -0.01 -1.70 -0.00 0.00 0.35 0.00 0.00 41.96 40.60 3hii s TYR 442 CO -0.05 0.15 -0.07 0.00 -1.34 0.00 0.00 175.55 174.23 3hii s ALA 443 N -0.53 0.67 0.02 3.97 0.00 -0.56 -0.25 121.76 125.07 3hii s ALA 443 Ca 0.07 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 3hii s ALA 443 Cb -0.12 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 22.84 3hii s ALA 443 CO 0.02 0.13 0.61 0.20 0.00 0.00 0.00 175.76 176.71 3hii s GLY 444 N 0.05 -0.53 -0.15 0.00 0.00 -0.44 -0.62 107.32 105.64 3hii s GLY 444 Ca -0.00 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.65 3hii s GLY 444 CO -0.00 0.60 -0.10 -2.27 0.00 0.00 0.00 173.10 171.33 3hii s LEU 445 N -1.69 1.64 0.32 0.66 2.96 -0.39 -1.14 118.68 121.04 3hii s LEU 445 Ca -0.07 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.01 3hii s LEU 445 Cb -0.01 -1.05 -0.12 0.00 0.50 0.00 0.00 46.19 45.52 3hii s LEU 445 CO 0.02 -0.11 1.45 1.17 -1.32 0.00 0.00 176.35 177.56 3hii n LYS 446 N 4.82 2.42 -2.62 1.98 4.81 -1.26 -0.95 118.16 127.36 3hii n LYS 446 Ca -0.14 0.85 -0.43 0.00 -0.87 0.00 0.00 58.31 57.72 3hii n LYS 446 Cb 0.49 -2.54 -0.02 0.00 0.02 0.00 0.00 35.03 32.97 3hii n LYS 446 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3hii s GLY 447 N 0.07 1.88 0.11 3.14 0.00 -1.23 -4.45 107.32 106.84 3hii s GLY 447 Ca 0.59 0.30 0.04 0.00 0.00 0.00 0.00 44.72 45.66 3hii s GLY 447 CO 0.57 2.17 -0.11 1.20 0.00 0.00 0.00 173.10 176.92 3hii s GLN 448 N 2.88 0.92 -0.00 2.90 -1.52 -1.26 -1.86 119.66 121.72 3hii s GLN 448 Ca 0.47 -1.21 -0.09 0.00 -1.95 0.00 0.00 55.36 52.58 3hii s GLN 448 Cb -0.17 -0.66 0.01 0.00 -0.22 0.00 0.00 33.01 31.96 3hii s GLN 448 CO 0.11 0.11 0.19 0.54 -0.25 0.00 0.00 175.29 175.99 3hii s VAL 449 N -2.43 0.08 -0.12 1.09 0.11 -0.41 -4.41 120.40 114.31 3hii s VAL 449 Ca 0.08 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.37 3hii s VAL 449 Cb -0.03 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 3hii s VAL 449 CO 0.01 -0.35 0.26 -0.22 -3.33 0.00 0.00 175.10 171.47 3hii s LEU 450 N -1.38 4.32 -0.11 2.54 2.96 -0.36 -1.08 118.68 125.58 3hii s LEU 450 Ca -0.14 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3hii s LEU 450 Cb -0.07 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.33 3hii s LEU 450 CO 0.02 0.23 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.47 3hii s VAL 451 N -0.23 1.36 -0.22 1.68 1.01 0.65 -0.48 120.40 124.18 3hii s VAL 451 Ca 0.17 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3hii s VAL 451 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3hii s VAL 451 CO 0.05 0.42 0.07 -0.22 0.00 0.00 0.00 175.10 175.42 3hii s LEU 452 N 1.20 3.61 0.01 3.92 2.96 0.14 -1.55 118.68 128.97 3hii s LEU 452 Ca -0.03 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3hii s LEU 452 Cb -0.14 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3hii s LEU 452 CO -0.04 0.06 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.40 3hii s ARG 453 N 1.06 0.34 0.22 1.98 3.52 -0.28 -0.65 118.95 125.15 3hii s ARG 453 Ca 0.04 -0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.40 3hii s ARG 453 Cb -0.14 -0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.97 3hii s ARG 453 CO 0.03 0.06 0.18 -2.37 -0.81 0.00 0.00 175.30 172.39 3hii n THR 454 N 2.60 0.00 -4.24 4.11 5.66 -0.61 -1.37 114.28 120.44 3hii n THR 454 Ca -0.15 -1.60 -0.13 0.00 -3.05 0.00 0.00 64.05 59.11 3hii n THR 454 Cb 0.58 0.78 -0.10 0.00 -1.55 0.00 0.00 70.33 70.03 3hii n THR 454 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hii s THR 455 N -2.86 0.48 -0.08 1.09 -4.23 -1.26 -0.88 115.64 107.90 3hii s THR 455 Ca 0.25 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 3hii s THR 455 Cb 0.01 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.64 3hii s THR 455 CO 0.18 -0.33 0.05 -0.94 -0.54 0.00 0.00 174.62 173.04 3hii s SER 456 N -3.18 1.51 -0.55 3.99 1.04 -0.16 -3.85 113.70 112.50 3hii s SER 456 Ca 0.28 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.64 3hii s SER 456 Cb 0.07 -0.23 0.14 0.00 0.10 0.00 0.00 66.02 66.10 3hii s SER 456 CO 0.06 -0.26 0.31 -0.89 0.98 0.00 0.00 173.24 173.44 3hii s THR 457 N 2.12 2.48 0.16 2.02 2.01 -0.56 -1.02 115.64 122.85 3hii s THR 457 Ca 0.04 -3.42 -0.09 0.00 0.31 0.00 0.00 61.69 58.53 3hii s THR 457 Cb -0.13 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3hii s THR 457 CO -0.05 -0.86 1.48 1.62 -0.69 0.00 0.00 174.62 176.12 3hii h VAL 458 N 5.23 1.28 0.00 3.82 3.04 -1.94 -3.46 116.25 124.22 3hii h VAL 458 Ca -0.02 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 3hii h VAL 458 Cb 0.87 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 3hii h VAL 458 CO 0.67 0.54 0.00 0.00 -1.01 0.00 0.00 177.57 177.76 3hii n TYR 459 N -4.02 0.00 1.12 3.17 9.36 -1.26 -5.12 117.16 120.40 3hii n TYR 459 Ca -0.03 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.23 3hii n TYR 459 Cb 0.58 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.40 3hii n TYR 459 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3hii n ASN 460 N -0.16 1.47 -3.37 2.98 6.94 -1.26 -4.96 115.26 116.90 3hii n ASN 460 Ca 0.00 -2.02 0.02 0.00 -0.02 0.00 0.00 54.58 52.55 3hii n ASN 460 Cb 0.00 -0.20 -0.02 0.00 -2.36 0.00 0.00 39.78 37.19 3hii n ASN 460 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3hii s ASP 462 N -0.95 -1.26 0.00 0.53 1.11 0.72 0.26 116.67 117.08 3hii s ASP 462 Ca 0.17 1.18 -0.21 0.00 0.18 0.00 0.00 52.55 53.88 3hii s ASP 462 Cb 0.09 2.22 -0.05 0.00 1.07 0.00 0.00 42.92 46.25 3hii s ASP 462 CO 0.11 -0.24 0.61 -0.31 1.18 0.00 0.00 175.17 176.52 3hii s TYR 463 N 2.87 3.69 -0.22 4.23 2.02 -0.19 -0.89 117.35 128.88 3hii s TYR 463 Ca 0.09 1.23 -0.04 0.00 -0.37 0.00 0.00 57.07 57.97 3hii s TYR 463 Cb -0.14 -2.62 -0.01 0.00 -0.40 0.00 0.00 41.96 38.79 3hii s TYR 463 CO -0.20 0.36 -0.03 0.42 -1.57 0.00 0.00 175.55 174.53 3hii s ILE 464 N -0.23 3.56 -0.25 2.71 1.01 -0.05 -0.99 121.20 126.96 3hii s ILE 464 Ca 0.32 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 3hii s ILE 464 Cb -0.18 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 3hii s ILE 464 CO 0.18 0.42 0.01 0.26 0.00 0.00 0.00 174.94 175.80 3hii s TRP 465 N 1.35 3.04 0.01 3.97 0.52 -0.06 -0.88 118.94 126.90 3hii s TRP 465 Ca 0.04 -0.94 0.07 0.00 0.02 0.00 0.00 56.10 55.30 3hii s TRP 465 Cb -0.14 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 3hii s TRP 465 CO -0.01 -0.55 -0.22 -0.51 0.02 0.00 0.00 176.95 175.68 3hii s ASP 466 N 1.49 3.46 -0.11 2.95 1.01 -0.17 -1.57 116.67 123.73 3hii s ASP 466 Ca 0.04 -0.45 0.03 0.00 0.71 0.00 0.00 52.55 52.89 3hii s ASP 466 Cb -0.15 -0.49 0.01 0.00 1.01 0.00 0.00 42.92 43.30 3hii s ASP 466 CO -0.01 0.29 -0.21 -0.36 0.21 0.00 0.00 175.17 175.09 3hii s PHE 467 N -0.78 2.41 -0.04 4.23 0.40 0.17 -1.65 117.98 122.73 3hii s PHE 467 Ca 0.12 -1.10 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 3hii s PHE 467 Cb -0.10 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 3hii s PHE 467 CO 0.02 -0.49 -0.21 0.42 0.70 0.00 0.00 175.22 175.66 3hii s ILE 468 N 0.66 1.72 -0.12 0.64 1.01 0.44 -0.68 121.20 124.86 3hii s ILE 468 Ca -0.12 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 3hii s ILE 468 Cb -0.16 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.87 3hii s ILE 468 CO 0.03 0.49 -0.09 -0.36 0.00 0.00 0.00 174.94 175.00 3hii s PHE 469 N -0.20 1.66 0.10 3.97 0.40 0.37 -0.92 117.98 123.36 3hii s PHE 469 Ca 0.00 -0.87 -0.02 0.00 -0.60 0.00 0.00 56.93 55.44 3hii s PHE 469 Cb -0.11 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 3hii s PHE 469 CO 0.02 -0.56 0.29 0.71 0.70 0.00 0.00 175.22 176.38 3hii s TYR 470 N 1.65 3.50 -0.11 0.36 1.51 -0.04 -1.22 117.35 123.01 3hii s TYR 470 Ca 0.05 0.40 0.28 0.00 -1.01 0.00 0.00 57.07 56.79 3hii s TYR 470 Cb -0.13 -1.88 1.34 0.00 -0.11 0.00 0.00 41.96 41.19 3hii s TYR 470 CO -0.09 0.52 1.85 -1.35 -1.11 0.00 0.00 175.55 175.37 3hii h PRO 471 N 2.99 0.00 -0.73 -1.71 0.11 -1.87 -2.38 132.00 128.41 3hii h PRO 471 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3hii h PRO 471 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hii h PRO 471 CO 0.74 0.00 0.03 0.27 -0.21 0.00 0.00 178.00 178.83 3hii n ASN 472 N -2.53 4.24 0.00 -2.05 6.94 -1.26 -4.07 115.26 116.52 3hii n ASN 472 Ca -0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 3hii n ASN 472 Cb 0.16 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 3hii n ASN 472 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hii n GLY 473 N 0.37 0.74 3.73 4.83 0.00 -0.90 -4.62 105.19 109.35 3hii n GLY 473 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3hii n GLY 473 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hii s VAL 474 N -2.71 4.85 0.16 1.61 1.01 -1.25 -4.37 120.40 119.70 3hii s VAL 474 Ca 0.00 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.68 3hii s VAL 474 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3hii s VAL 474 CO 0.00 0.30 -0.08 -0.32 0.00 0.00 0.00 175.10 175.01 3hii s MET 475 N 0.34 2.15 -0.05 2.72 1.75 -0.10 -0.86 119.30 125.25 3hii s MET 475 Ca 0.40 -1.17 -0.04 0.00 -1.25 0.00 0.00 55.69 53.63 3hii s MET 475 Cb -0.20 -2.24 0.02 0.00 2.84 0.00 0.00 34.83 35.25 3hii s MET 475 CO 0.22 0.46 0.14 -2.00 -0.65 0.00 0.00 175.02 173.18 3hii s GLU 476 N -2.69 0.14 -0.03 4.11 2.12 -0.10 -0.42 118.70 121.84 3hii s GLU 476 Ca 0.24 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.81 3hii s GLU 476 Cb -0.09 0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 3hii s GLU 476 CO 0.16 -0.05 -0.03 0.00 -0.54 0.00 0.00 175.26 174.80 3hii s ALA 477 N 0.29 3.17 -0.12 6.30 0.00 0.32 -0.42 121.76 131.30 3hii s ALA 477 Ca -0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 3hii s ALA 477 Cb -0.03 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.82 3hii s ALA 477 CO -0.01 0.62 0.32 0.21 0.00 0.00 0.00 175.76 176.89 3hii s LYS 478 N -1.28 0.36 -0.05 0.00 2.20 -0.66 -1.63 119.74 118.68 3hii s LYS 478 Ca 0.17 0.48 0.05 0.00 -0.36 0.00 0.00 55.97 56.31 3hii s LYS 478 Cb -0.11 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 3hii s LYS 478 CO 0.07 -0.07 -0.21 1.41 -0.36 0.00 0.00 175.35 176.19 3hii s MET 479 N 0.40 2.50 0.03 4.03 -2.45 -0.00 -0.99 119.30 122.81 3hii s MET 479 Ca -0.02 -0.84 0.07 0.00 -1.25 0.00 0.00 55.69 53.65 3hii s MET 479 Cb -0.04 -2.23 -0.03 0.00 1.25 0.00 0.00 34.83 33.78 3hii s MET 479 CO -0.02 0.48 -0.19 -1.01 1.05 0.00 0.00 175.02 175.33 3hii s HIS 480 N -0.38 2.54 -0.15 4.11 0.09 -0.06 -1.92 115.29 119.53 3hii s HIS 480 Ca 0.03 -0.27 -0.05 0.00 -0.00 0.00 0.00 55.06 54.78 3hii s HIS 480 Cb -0.12 -1.47 -0.03 0.00 -0.00 0.00 0.00 32.58 30.95 3hii s HIS 480 CO 0.02 0.23 0.02 0.00 -0.00 0.00 0.00 174.74 175.00 3hii s ALA 481 N -0.89 3.25 0.00 -1.40 0.00 -0.72 -0.87 121.76 121.13 3hii s ALA 481 Ca 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3hii s ALA 481 Cb -0.10 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3hii s ALA 481 CO 0.04 0.29 0.00 -2.37 0.00 0.00 0.00 175.76 173.73 3hii n THR 482 N 3.19 0.00 -2.43 0.00 5.66 -0.07 -3.89 114.28 116.74 3hii n THR 482 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 3hii n THR 482 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 3hii n THR 482 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hii n GLY 483 N 0.00 -1.71 3.83 1.09 0.00 -1.23 -0.20 105.19 106.97 3hii n GLY 483 Ca 0.00 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 3hii n GLY 483 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hii s TYR 484 N 0.00 3.70 0.69 1.61 1.51 0.14 -1.03 117.35 123.96 3hii s TYR 484 Ca 0.00 0.94 -0.14 0.00 -1.01 0.00 0.00 57.07 56.87 3hii s TYR 484 Cb 0.00 -2.29 0.01 0.00 -0.11 0.00 0.00 41.96 39.58 3hii s TYR 484 CO 0.00 0.60 1.11 0.14 -1.11 0.00 0.00 175.55 176.29 3hii s VAL 485 N -0.90 3.22 -0.24 0.71 -7.23 -1.26 -4.71 120.40 110.00 3hii s VAL 485 Ca 0.23 0.53 -0.28 0.00 -1.81 0.00 0.00 61.98 60.65 3hii s VAL 485 Cb -0.16 -3.04 0.01 0.00 0.56 0.00 0.00 36.38 33.75 3hii s VAL 485 CO 0.12 -0.39 0.98 -2.28 -0.31 0.00 0.00 175.10 173.22 3hii s HIS 486 N -2.46 3.32 0.04 2.82 2.46 -1.26 -4.85 115.29 115.36 3hii s HIS 486 Ca 0.66 1.36 0.01 0.00 0.47 0.00 0.00 55.06 57.56 3hii s HIS 486 Cb -0.20 -3.23 -0.03 0.00 -0.13 0.00 0.00 32.58 29.00 3hii s HIS 486 CO 0.45 -0.47 -0.05 0.00 -2.47 0.00 0.00 174.74 172.19 3hii s ALA 487 N 3.12 0.44 0.34 1.58 0.00 -1.26 -3.59 121.76 122.38 3hii s ALA 487 Ca 0.41 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3hii s ALA 487 Cb -0.15 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3hii s ALA 487 CO 0.07 -0.12 0.08 0.95 0.00 0.00 0.00 175.76 176.74 3hii s THR 488 N -1.84 0.96 0.19 0.00 -4.23 -0.39 -4.89 115.64 105.44 3hii s THR 488 Ca -0.09 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.12 3hii s THR 488 Cb -0.07 -2.65 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 3hii s THR 488 CO -0.01 0.00 1.35 0.12 -0.54 0.00 0.00 174.62 175.53 3hii s PHE 489 N -3.32 3.22 0.07 3.99 5.36 -1.26 -0.45 117.98 125.58 3hii s PHE 489 Ca 0.33 1.13 -0.31 0.00 -0.96 0.00 0.00 56.93 57.12 3hii s PHE 489 Cb 0.07 -3.65 -0.07 0.00 -0.34 0.00 0.00 43.02 39.03 3hii s PHE 489 CO 0.15 -2.11 1.40 -0.47 -1.46 0.00 0.00 175.22 172.73 3hii s TYR 490 N 0.32 3.06 0.10 10.12 6.14 -0.13 -4.66 117.35 132.30 3hii s TYR 490 Ca 0.59 0.88 0.01 0.00 0.64 0.00 0.00 57.07 59.18 3hii s TYR 490 Cb -0.37 -3.68 -0.04 0.00 0.42 0.00 0.00 41.96 38.28 3hii s TYR 490 CO 0.37 -2.46 -0.03 0.95 0.64 0.00 0.00 175.55 175.02 3hii s THR 491 N 1.66 0.50 0.35 4.34 -4.23 -1.26 -4.90 115.64 112.10 3hii s THR 491 Ca 0.65 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.34 3hii s THR 491 Cb -0.35 -1.73 0.33 0.00 1.34 0.00 0.00 72.50 72.08 3hii s THR 491 CO 0.29 -0.81 1.85 -0.65 -0.54 0.00 0.00 174.62 174.76 3hii h PRO 492 N 2.97 0.66 0.00 3.99 0.11 -2.02 0.25 132.00 137.96 3hii h PRO 492 Ca -0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3hii h PRO 492 Cb 1.17 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hii h PRO 492 CO 0.64 0.44 -0.03 0.93 -0.21 0.00 0.00 178.00 179.77 3hii h GLU 493 N 0.68 0.00 0.00 1.05 3.07 -2.00 -2.49 114.58 114.89 3hii h GLU 493 Ca 0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 3hii h GLU 493 Cb 0.79 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3hii h GLU 493 CO -0.23 0.03 -0.08 0.78 -1.40 0.00 0.00 179.01 178.11 3hii h GLY 494 N 0.42 0.00 2.00 -3.84 0.00 -1.31 -3.04 103.07 97.31 3hii h GLY 494 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hii h GLY 494 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3hii h LEU 495 N 0.00 0.00 0.00 3.11 3.38 -1.58 -0.42 115.31 119.80 3hii h LEU 495 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hii h LEU 495 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hii h LEU 495 CO 0.01 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.08 3hii n ARG 496 N -2.67 0.31 -0.58 1.13 1.74 -1.15 -3.93 116.66 111.52 3hii n ARG 496 Ca -0.00 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 3hii n ARG 496 Cb 0.18 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.16 3hii n ARG 496 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hii n HIS 497 N -1.33 0.00 -3.59 -1.55 8.25 -0.19 -5.01 115.22 111.80 3hii n HIS 497 Ca 0.12 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3hii n HIS 497 Cb 0.24 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3hii n HIS 497 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hii n GLY 498 N -0.22 -0.70 3.02 -1.41 0.00 -1.05 -0.26 105.19 104.57 3hii n GLY 498 Ca 0.04 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 3hii n GLY 498 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hii s THR 499 N -2.95 0.88 -0.08 2.61 2.01 -0.63 -4.42 115.64 113.06 3hii s THR 499 Ca 0.00 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 3hii s THR 499 Cb 0.00 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3hii s THR 499 CO 0.00 0.27 1.48 -0.60 -0.69 0.00 0.00 174.62 175.08 3hii s ARG 500 N 0.20 4.22 -0.02 4.92 3.52 -1.26 -0.25 118.95 130.28 3hii s ARG 500 Ca -0.04 1.98 0.09 0.00 -0.13 0.00 0.00 55.73 57.64 3hii s ARG 500 Cb -0.09 -3.84 -0.15 0.00 -1.56 0.00 0.00 34.95 29.31 3hii s ARG 500 CO 0.01 -0.75 0.19 1.28 -0.81 0.00 0.00 175.30 175.22 3hii n LEU 501 N 6.64 0.00 0.00 -0.88 4.77 -0.48 -4.77 117.00 122.29 3hii n LEU 501 Ca 0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 3hii n LEU 501 Cb 0.44 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3hii n LEU 501 CO 0.60 0.02 0.27 1.57 -1.33 0.00 0.00 177.39 178.52 3hii n HIS 502 N -1.88 -1.64 -0.07 -1.77 -0.00 -1.23 -4.89 115.22 103.74 3hii n HIS 502 Ca -0.03 -1.49 -0.07 0.00 0.46 0.00 0.00 57.72 56.59 3hii n HIS 502 Cb 0.31 0.55 -0.01 0.00 -0.12 0.00 0.00 29.99 30.72 3hii n HIS 502 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 3hii h THR 503 N 1.72 0.61 -0.23 3.57 2.02 -2.00 -2.94 112.91 115.66 3hii h THR 503 Ca -0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3hii h THR 503 Cb 0.88 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3hii h THR 503 CO 0.29 0.00 -0.00 1.41 0.37 0.00 0.00 175.52 177.58 3hii n HIS 504 N -5.29 0.81 -4.85 3.16 8.25 -1.26 -4.87 115.22 111.17 3hii n HIS 504 Ca -0.00 -0.95 -0.29 0.00 -0.26 0.00 0.00 57.72 56.22 3hii n HIS 504 Cb 0.21 -0.30 -0.17 0.00 1.12 0.00 0.00 29.99 30.85 3hii n HIS 504 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hii s LEU 505 N -2.87 1.86 -0.14 2.41 2.96 -1.11 -0.95 118.68 120.84 3hii s LEU 505 Ca 0.41 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3hii s LEU 505 Cb 0.34 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 3hii s LEU 505 CO 0.07 0.09 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.44 3hii s ILE 506 N 0.57 3.08 -0.47 6.68 -1.09 0.40 -1.39 121.20 128.98 3hii s ILE 506 Ca -0.15 -0.65 -0.23 0.00 -2.23 0.00 0.00 60.65 57.39 3hii s ILE 506 Cb -0.17 -2.30 0.03 0.00 -1.58 0.00 0.00 42.46 38.44 3hii s ILE 506 CO 0.05 0.52 0.82 -0.83 -1.23 0.00 0.00 174.94 174.26 3hii s GLY 507 N 0.44 1.56 0.32 6.18 0.00 0.66 -1.27 107.32 115.21 3hii s GLY 507 Ca -0.09 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 3hii s GLY 507 CO 0.05 1.84 1.36 -1.31 0.00 0.00 0.00 173.10 175.03 3hii s ASN 508 N 2.29 6.68 0.38 1.64 -0.87 -1.24 -1.60 114.94 122.23 3hii s ASN 508 Ca 0.30 2.74 -0.27 0.00 -1.57 0.00 0.00 52.86 54.05 3hii s ASN 508 Cb -0.12 -2.65 -0.10 0.00 -0.02 0.00 0.00 41.25 38.36 3hii s ASN 508 CO 0.22 -0.62 1.40 -0.51 -2.57 0.00 0.00 177.10 175.02 3hii s ILE 509 N -0.92 2.33 0.21 0.60 2.07 0.65 -4.55 121.20 121.59 3hii s ILE 509 Ca 0.51 0.32 -0.23 0.00 -1.41 0.00 0.00 60.65 59.85 3hii s ILE 509 Cb -0.41 -3.20 0.04 0.00 0.13 0.00 0.00 42.46 39.03 3hii s ILE 509 CO 0.53 0.07 0.73 -1.38 -1.91 0.00 0.00 174.94 172.97 3hii s HIS 510 N -1.16 -0.29 -0.09 3.50 -3.43 -0.93 -1.90 115.29 110.99 3hii s HIS 510 Ca 0.54 -0.06 0.03 0.00 -0.80 0.00 0.00 55.06 54.77 3hii s HIS 510 Cb -0.43 0.65 0.01 0.00 -1.43 0.00 0.00 32.58 31.38 3hii s HIS 510 CO 0.57 -1.03 -0.19 0.99 -2.00 0.00 0.00 174.74 173.07 3hii s THR 511 N -3.73 1.72 -0.04 -5.38 2.01 -0.76 -0.32 115.64 109.14 3hii s THR 511 Ca 0.08 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 61.03 3hii s THR 511 Cb -0.04 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 3hii s THR 511 CO -0.00 0.48 0.72 -1.00 -0.69 0.00 0.00 174.62 174.13 3hii s HIS 512 N 0.51 3.61 -0.04 4.92 3.76 -0.46 -1.33 115.29 126.26 3hii s HIS 512 Ca -0.16 1.31 0.01 0.00 -0.15 0.00 0.00 55.06 56.07 3hii s HIS 512 Cb -0.17 -2.81 0.02 0.00 1.11 0.00 0.00 32.58 30.73 3hii s HIS 512 CO 0.06 0.13 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.52 3hii s LEU 513 N 0.62 1.38 -0.05 0.89 1.43 -0.35 -1.54 118.68 121.06 3hii s LEU 513 Ca 0.38 -0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 3hii s LEU 513 Cb -0.18 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 3hii s LEU 513 CO 0.19 -0.04 -0.23 -0.69 0.23 0.00 0.00 176.35 175.81 3hii s VAL 514 N 0.82 2.29 -0.13 -1.59 1.01 0.12 -0.44 120.40 122.49 3hii s VAL 514 Ca -0.11 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 3hii s VAL 514 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3hii s VAL 514 CO 0.00 0.57 -0.03 -2.28 0.00 0.00 0.00 175.10 173.36 3hii s HIS 515 N -0.37 3.04 0.01 5.22 2.46 -0.27 -1.19 115.29 124.19 3hii s HIS 515 Ca 0.03 -0.17 0.07 0.00 0.47 0.00 0.00 55.06 55.46 3hii s HIS 515 Cb -0.12 -1.90 -0.03 0.00 -0.13 0.00 0.00 32.58 30.40 3hii s HIS 515 CO 0.02 0.10 -0.22 0.71 -2.47 0.00 0.00 174.74 172.88 3hii s TYR 516 N -0.00 2.45 -0.22 3.88 1.51 0.40 -0.75 117.35 124.62 3hii s TYR 516 Ca 0.01 -0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 3hii s TYR 516 Cb -0.13 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.18 3hii s TYR 516 CO 0.03 0.12 0.14 0.50 -1.11 0.00 0.00 175.55 175.23 3hii s ARG 517 N -1.01 4.11 -0.54 -0.62 3.52 0.27 -1.30 118.95 123.40 3hii s ARG 517 Ca 0.12 -0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.51 3hii s ARG 517 Cb -0.10 -3.48 0.16 0.00 -1.56 0.00 0.00 34.95 29.97 3hii s ARG 517 CO 0.02 0.17 0.38 0.08 -0.81 0.00 0.00 175.30 175.13 3hii s VAL 518 N 0.75 1.61 -1.20 7.11 1.01 0.64 -1.07 120.40 129.24 3hii s VAL 518 Ca 0.08 -3.29 -0.19 0.00 0.00 0.00 0.00 61.98 58.57 3hii s VAL 518 Cb -0.12 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.25 3hii s VAL 518 CO 0.02 -1.07 1.60 -0.62 0.00 0.00 0.00 175.10 175.03 3hii s ASP 519 N -0.50 6.77 0.12 3.32 2.15 0.96 -1.34 116.67 128.17 3hii s ASP 519 Ca 0.26 -2.24 -0.30 0.00 0.43 0.00 0.00 52.55 50.70 3hii s ASP 519 Cb -0.06 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.95 3hii s ASP 519 CO -0.14 -1.20 1.15 -0.76 -0.17 0.00 0.00 175.17 174.05 3hii s LEU 520 N 4.05 4.43 -0.62 -1.34 1.43 -1.26 -0.30 118.68 125.07 3hii s LEU 520 Ca 0.50 2.07 0.05 0.00 -1.03 0.00 0.00 54.13 55.71 3hii s LEU 520 Cb 0.02 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.81 3hii s LEU 520 CO 0.02 -0.35 0.43 -1.81 0.23 0.00 0.00 176.35 174.86 3hii s ASP 521 N 0.47 4.18 -0.34 2.29 1.11 -0.23 -4.52 116.67 119.62 3hii s ASP 521 Ca 0.54 -3.56 -0.29 0.00 0.18 0.00 0.00 52.55 49.42 3hii s ASP 521 Cb -0.30 -1.41 -0.00 0.00 1.07 0.00 0.00 42.92 42.28 3hii s ASP 521 CO 0.33 -0.13 1.46 -0.69 1.18 0.00 0.00 175.17 177.32 3hii s VAL 522 N -0.98 3.88 -1.25 -1.27 1.01 -1.23 -2.35 120.40 118.22 3hii s VAL 522 Ca 0.25 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3hii s VAL 522 Cb -0.07 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3hii s VAL 522 CO -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 175.10 174.39 3hii n ALA 523 N 8.62 -0.42 0.00 5.51 0.00 -0.19 -4.54 120.51 129.49 3hii n ALA 523 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3hii n ALA 523 Cb 0.47 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3hii n ALA 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hii n GLY 524 N -0.47 3.18 0.21 0.00 0.00 -0.99 -4.89 105.19 102.23 3hii n GLY 524 Ca -0.14 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 3hii n GLY 524 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hii h THR 525 N 1.00 1.28 -3.60 2.61 1.35 -1.84 -3.39 112.91 110.32 3hii h THR 525 Ca 0.00 -1.15 -0.58 0.00 -0.55 0.00 0.00 66.41 64.13 3hii h THR 525 Cb 0.00 1.32 -0.08 0.00 -1.73 0.00 0.00 68.15 67.65 3hii h THR 525 CO 0.00 0.38 0.75 -0.54 -0.25 0.00 0.00 175.52 175.86 3hii s LYS 526 N -4.77 3.74 0.29 4.72 -0.14 -1.26 -3.75 119.74 118.58 3hii s LYS 526 Ca -0.13 0.52 0.04 0.00 -1.36 0.00 0.00 55.97 55.05 3hii s LYS 526 Cb 0.09 -3.87 -0.06 0.00 -1.68 0.00 0.00 37.83 32.31 3hii s LYS 526 CO 0.80 -1.18 0.03 -0.80 -0.76 0.00 0.00 175.35 173.44 3hii s ASN 527 N 2.17 2.22 0.36 2.83 0.02 0.22 -4.59 114.94 118.17 3hii s ASN 527 Ca 0.42 -1.32 0.05 0.00 -1.02 0.00 0.00 52.86 51.00 3hii s ASN 527 Cb -0.10 -0.06 -0.07 0.00 0.02 0.00 0.00 41.25 41.05 3hii s ASN 527 CO 0.25 -0.56 0.04 -0.94 0.02 0.00 0.00 177.10 175.92 3hii s SER 528 N -3.43 2.92 -0.05 -1.22 1.04 -0.55 -1.37 113.70 111.04 3hii s SER 528 Ca 0.34 -1.38 0.04 0.00 0.48 0.00 0.00 55.95 55.42 3hii s SER 528 Cb 0.07 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3hii s SER 528 CO 0.13 -0.56 -0.16 0.12 0.98 0.00 0.00 173.24 173.75 3hii s PHE 529 N -3.09 1.67 0.14 5.02 5.36 -1.26 -0.93 117.98 124.90 3hii s PHE 529 Ca 0.35 -0.52 -0.08 0.00 -0.96 0.00 0.00 56.93 55.72 3hii s PHE 529 Cb 0.09 -1.14 -0.01 0.00 -0.34 0.00 0.00 43.02 41.62 3hii s PHE 529 CO 0.16 -0.20 0.24 1.14 -1.46 0.00 0.00 175.22 175.11 3hii s GLN 530 N 0.20 1.06 0.15 10.12 -2.07 -0.60 -2.93 119.66 125.59 3hii s GLN 530 Ca -0.07 -1.14 0.06 0.00 -1.82 0.00 0.00 55.36 52.39 3hii s GLN 530 Cb -0.13 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 3hii s GLN 530 CO 0.03 -0.37 -0.14 0.95 -1.32 0.00 0.00 175.29 174.44 3hii s THR 531 N -3.95 1.44 0.01 3.63 -4.23 -0.31 -0.85 115.64 111.38 3hii s THR 531 Ca 0.15 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3hii s THR 531 Cb 0.04 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 3hii s THR 531 CO -0.03 -0.52 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.58 3hii s LEU 532 N -2.84 2.09 0.05 4.79 1.43 -0.81 -0.68 118.68 122.71 3hii s LEU 532 Ca 0.14 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3hii s LEU 532 Cb -0.02 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 3hii s LEU 532 CO 0.04 0.20 -0.05 -1.10 0.23 0.00 0.00 176.35 175.67 3hii s GLN 533 N -0.72 0.58 0.00 1.70 -1.52 -0.40 -3.02 119.66 116.28 3hii s GLN 533 Ca 0.07 -1.01 -0.25 0.00 -1.95 0.00 0.00 55.36 52.22 3hii s GLN 533 Cb -0.08 -0.03 -0.05 0.00 -0.22 0.00 0.00 33.01 32.64 3hii s GLN 533 CO 0.00 -0.04 0.77 1.41 -0.25 0.00 0.00 175.29 177.18 3hii s MET 534 N -2.82 4.48 -0.04 2.91 1.75 -1.26 -0.99 119.30 123.34 3hii s MET 534 Ca -0.01 1.04 0.02 0.00 -1.25 0.00 0.00 55.69 55.50 3hii s MET 534 Cb -0.01 -3.40 0.01 0.00 2.84 0.00 0.00 34.83 34.27 3hii s MET 534 CO -0.04 0.17 -0.10 0.21 -0.65 0.00 0.00 175.02 174.61 3hii s LYS 535 N 0.36 1.17 0.40 4.11 2.20 -0.39 -4.93 119.74 122.66 3hii s LYS 535 Ca 0.40 -0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.46 3hii s LYS 535 Cb -0.20 -1.05 -0.10 0.00 -1.51 0.00 0.00 37.83 34.98 3hii s LYS 535 CO 0.22 0.07 1.00 -0.51 -0.36 0.00 0.00 175.35 175.77 3hii s LEU 536 N 0.41 4.10 0.31 5.43 1.43 -1.26 0.54 118.68 129.64 3hii s LEU 536 Ca -0.07 1.89 0.10 0.00 -1.03 0.00 0.00 54.13 55.02 3hii s LEU 536 Cb -0.11 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 3hii s LEU 536 CO 0.01 -0.40 -0.12 -1.83 0.23 0.00 0.00 176.35 174.25 3hii s GLU 537 N -2.65 1.82 -0.27 1.70 -1.05 0.28 -4.86 118.70 113.67 3hii s GLU 537 Ca 0.58 -1.82 -0.02 0.00 -0.15 0.00 0.00 54.97 53.57 3hii s GLU 537 Cb -0.17 -1.78 0.09 0.00 -0.44 0.00 0.00 34.13 31.82 3hii s GLU 537 CO 0.22 0.23 0.08 1.21 0.95 0.00 0.00 175.26 177.95 3hii s ASN 538 N -3.58 3.63 0.31 0.83 3.84 -1.26 -1.13 114.94 117.57 3hii s ASN 538 Ca 0.32 -1.33 0.09 0.00 0.21 0.00 0.00 52.86 52.14 3hii s ASN 538 Cb -0.01 -0.74 -0.06 0.00 -0.55 0.00 0.00 41.25 39.89 3hii s ASN 538 CO 0.16 -0.38 -0.10 0.27 -2.79 0.00 0.00 177.10 174.26 3hii s ILE 539 N 1.73 2.07 0.23 -5.21 -4.36 -0.46 -4.97 121.20 110.24 3hii s ILE 539 Ca 0.06 -2.21 -0.32 0.00 -0.26 0.00 0.00 60.65 57.92 3hii s ILE 539 Cb -0.17 -2.50 -0.12 0.00 1.25 0.00 0.00 42.46 40.91 3hii s ILE 539 CO -0.21 -0.28 1.69 0.41 0.24 0.00 0.00 174.94 176.79 3hii n THR 540 N -0.68 0.27 -1.79 8.37 -1.04 -1.26 -0.44 114.28 117.71 3hii n THR 540 Ca -0.05 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 3hii n THR 540 Cb 0.63 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.13 3hii n THR 540 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3hii s ASN 541 N 0.99 5.89 0.57 8.00 3.84 0.99 -4.60 114.94 130.63 3hii s ASN 541 Ca 0.72 1.88 0.31 0.00 0.21 0.00 0.00 52.86 55.98 3hii s ASN 541 Cb -0.50 -2.52 1.70 0.00 -0.55 0.00 0.00 41.25 39.38 3hii s ASN 541 CO 0.37 -1.61 2.17 -0.65 -2.79 0.00 0.00 177.10 174.58 3hii h PRO 542 N 13.01 0.00 -0.07 0.43 0.11 -1.91 -2.18 132.00 141.38 3hii h PRO 542 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hii h PRO 542 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hii h PRO 542 CO 0.98 0.06 0.00 -2.67 -0.21 0.00 0.00 178.00 176.16 3hii n TRP 543 N -3.59 0.07 -3.11 0.65 4.27 -1.26 -4.74 117.44 109.74 3hii n TRP 543 Ca -0.02 -0.08 -0.16 0.00 -3.89 0.00 0.00 57.50 53.35 3hii n TRP 543 Cb 0.17 -0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.07 3hii n TRP 543 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3hii s SER 544 N -0.97 0.10 0.47 -0.67 0.15 -0.83 -5.05 113.70 106.91 3hii s SER 544 Ca 0.15 -2.38 0.29 0.00 0.70 0.00 0.00 55.95 54.71 3hii s SER 544 Cb 0.10 0.68 1.36 0.00 -1.71 0.00 0.00 66.02 66.44 3hii s SER 544 CO 0.15 -0.12 1.75 -0.65 1.20 0.00 0.00 173.24 175.56 3hii h PRO 545 N 5.45 0.17 0.00 5.44 0.11 -1.82 0.25 132.00 141.60 3hii h PRO 545 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3hii h PRO 545 Cb 1.01 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3hii h PRO 545 CO 0.20 0.11 0.00 0.54 -0.21 0.00 0.00 178.00 178.64 3hii n ARG 546 N -4.43 0.40 -4.44 1.05 1.74 -1.26 -4.69 116.66 105.03 3hii n ARG 546 Ca 0.28 0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 57.20 3hii n ARG 546 Cb 1.16 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 31.00 3hii n ARG 546 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hii s HIS 547 N -2.23 1.98 0.07 -1.55 3.76 0.08 -5.05 115.29 112.35 3hii s HIS 547 Ca 0.21 -0.72 0.05 0.00 -0.15 0.00 0.00 55.06 54.45 3hii s HIS 547 Cb 0.11 -1.16 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 3hii s HIS 547 CO 0.21 0.26 -0.05 1.03 -0.85 0.00 0.00 174.74 175.34 3hii s ARG 548 N -3.74 2.40 -0.27 1.40 1.81 -1.26 -0.00 118.95 119.28 3hii s ARG 548 Ca 0.30 -0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 53.41 3hii s ARG 548 Cb 0.04 -2.45 0.03 0.00 -0.45 0.00 0.00 34.95 32.12 3hii s ARG 548 CO 0.13 0.55 -0.00 0.08 -0.68 0.00 0.00 175.30 175.37 3hii s VAL 549 N -1.19 3.26 -0.34 3.52 1.01 0.41 -4.64 120.40 122.43 3hii s VAL 549 Ca 0.22 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3hii s VAL 549 Cb -0.11 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 3hii s VAL 549 CO 0.14 0.10 0.20 -0.69 0.00 0.00 0.00 175.10 174.85 3hii s VAL 550 N 1.37 4.84 0.08 2.92 1.01 -1.26 -1.35 120.40 128.00 3hii s VAL 550 Ca -0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3hii s VAL 550 Cb -0.17 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3hii s VAL 550 CO -0.02 -0.05 0.32 0.00 0.00 0.00 0.00 175.10 175.36 3hii s GLN 551 N 1.64 0.90 0.40 2.72 -2.07 -0.29 -4.95 119.66 118.01 3hii s GLN 551 Ca 0.04 -0.63 -0.27 0.00 -1.82 0.00 0.00 55.36 52.68 3hii s GLN 551 Cb -0.18 0.39 -0.10 0.00 -1.09 0.00 0.00 33.01 32.03 3hii s GLN 551 CO 0.08 -0.31 1.42 -2.30 -1.32 0.00 0.00 175.29 172.85 3hii n PRO 552 N 0.22 2.39 -4.36 9.60 -0.02 -1.26 -0.56 135.00 141.01 3hii n PRO 552 Ca -0.17 0.84 -0.18 0.00 -2.02 0.00 0.00 63.50 61.97 3hii n PRO 552 Cb 0.61 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 3hii n PRO 552 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hii s THR 553 N -1.14 1.33 -0.28 3.45 -4.23 0.19 -4.81 115.64 110.14 3hii s THR 553 Ca 0.57 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 3hii s THR 553 Cb -0.49 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3hii s THR 553 CO 0.61 -0.40 0.33 -0.22 -0.54 0.00 0.00 174.62 174.41 3hii s LEU 554 N -3.34 4.10 -0.19 4.79 2.96 -1.26 -1.26 118.68 124.47 3hii s LEU 554 Ca 0.27 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3hii s LEU 554 Cb 0.04 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3hii s LEU 554 CO 0.09 -0.18 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.23 3hii s GLU 555 N 2.00 3.64 -0.13 1.98 2.12 -0.16 -4.95 118.70 123.20 3hii s GLU 555 Ca 0.13 -0.51 -0.09 0.00 0.36 0.00 0.00 54.97 54.85 3hii s GLU 555 Cb -0.16 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 3hii s GLU 555 CO 0.10 0.06 0.17 -0.65 -0.54 0.00 0.00 175.26 174.40 3hii s GLN 556 N 0.87 3.72 -0.12 4.30 -0.21 -1.26 -1.27 119.66 125.70 3hii s GLN 556 Ca 0.01 -0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.32 3hii s GLN 556 Cb -0.14 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.61 3hii s GLN 556 CO 0.02 0.62 -0.20 0.99 -2.12 0.00 0.00 175.29 174.59 3hii s THR 557 N -0.58 1.87 0.24 -0.19 2.01 0.14 -5.00 115.64 114.14 3hii s THR 557 Ca 0.14 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 3hii s THR 557 Cb -0.12 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 3hii s THR 557 CO 0.03 0.52 0.47 -1.10 -0.69 0.00 0.00 174.62 173.85 3hii s GLN 558 N 0.71 3.59 -0.07 4.92 -1.52 -1.26 -1.17 119.66 124.85 3hii s GLN 558 Ca -0.11 -0.15 0.02 0.00 -1.95 0.00 0.00 55.36 53.17 3hii s GLN 558 Cb -0.16 -2.74 0.02 0.00 -0.22 0.00 0.00 33.01 29.91 3hii s GLN 558 CO 0.02 0.31 -0.10 0.71 -0.25 0.00 0.00 175.29 175.97 3hii s TYR 559 N -1.96 1.34 -0.03 0.91 1.51 -1.15 -4.97 117.35 113.00 3hii s TYR 559 Ca 0.41 -0.51 0.10 0.00 -1.01 0.00 0.00 57.07 56.07 3hii s TYR 559 Cb -0.11 -1.03 -0.16 0.00 -0.11 0.00 0.00 41.96 40.56 3hii s TYR 559 CO 0.29 -0.30 0.20 0.43 -1.11 0.00 0.00 175.55 175.07 3hii n SER 560 N 4.02 2.57 -4.06 2.29 7.64 -1.26 -4.58 113.62 120.24 3hii n SER 560 Ca -0.22 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.50 3hii n SER 560 Cb 0.51 1.38 -0.13 0.00 -1.01 0.00 0.00 64.21 64.96 3hii n SER 560 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3hii s TRP 561 N -2.67 0.81 0.25 1.43 0.52 -1.26 -0.49 118.94 117.53 3hii s TRP 561 Ca -0.04 -0.33 -0.06 0.00 0.02 0.00 0.00 56.10 55.70 3hii s TRP 561 Cb 0.06 -0.49 0.46 0.00 -1.15 0.00 0.00 33.47 32.35 3hii s TRP 561 CO 0.44 -0.02 1.66 0.93 0.02 0.00 0.00 176.95 179.97 3hii h GLU 562 N 5.11 0.17 -0.06 4.98 5.08 -1.29 -0.43 114.58 128.14 3hii h GLU 562 Ca -0.34 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3hii h GLU 562 Cb 1.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3hii h GLU 562 CO 0.45 0.11 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.43 3hii h ARG 563 N 0.18 0.09 0.00 2.33 9.65 -1.86 -0.01 114.38 124.75 3hii h ARG 563 Ca 0.42 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.22 3hii h ARG 563 Cb 0.74 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 3hii h ARG 563 CO -0.59 0.15 -0.34 1.96 2.80 0.00 0.00 179.97 183.95 3hii h GLN 564 N 0.09 0.00 -0.67 0.20 4.20 -1.49 -2.93 115.11 114.50 3hii h GLN 564 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hii h GLN 564 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3hii h GLN 564 CO 0.01 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.51 3hii n ALA 565 N -2.44 3.06 -3.26 3.87 0.00 -0.05 -4.78 120.51 116.90 3hii n ALA 565 Ca -0.02 -1.57 -0.46 0.00 0.00 0.00 0.00 53.44 51.40 3hii n ALA 565 Cb 0.39 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 3hii n ALA 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hii s ALA 566 N -1.80 3.71 -0.31 0.00 0.00 -1.01 -3.17 121.76 119.18 3hii s ALA 566 Ca 0.52 -2.70 -0.19 0.00 0.00 0.00 0.00 51.96 49.59 3hii s ALA 566 Cb 0.33 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3hii s ALA 566 CO 0.26 -2.19 0.58 -0.06 0.00 0.00 0.00 175.76 174.34 3hii s PHE 567 N 1.48 3.21 0.68 0.00 0.08 0.21 -5.00 117.98 118.64 3hii s PHE 567 Ca 0.10 0.47 -0.09 0.00 0.12 0.00 0.00 56.93 57.53 3hii s PHE 567 Cb -0.23 -2.93 0.03 0.00 -0.57 0.00 0.00 43.02 39.32 3hii s PHE 567 CO -0.00 -0.46 1.03 1.03 -0.10 0.00 0.00 175.22 176.72 3hii s ARG 568 N 2.50 2.66 0.42 0.44 0.52 -1.26 -3.13 118.95 121.11 3hii s ARG 568 Ca 0.23 0.16 0.18 0.00 -0.52 0.00 0.00 55.73 55.78 3hii s ARG 568 Cb -0.15 -2.11 0.95 0.00 0.52 0.00 0.00 34.95 34.16 3hii s ARG 568 CO 0.12 -1.03 1.90 0.74 0.02 0.00 0.00 175.30 177.04 3hii h PHE 569 N -0.55 0.00 -0.36 -0.53 -1.00 -1.92 -2.62 116.94 109.96 3hii h PHE 569 Ca -0.45 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.18 3hii h PHE 569 Cb 1.27 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.83 3hii h PHE 569 CO 0.44 0.28 -0.37 0.87 -1.61 0.00 0.00 178.31 177.92 3hii h LYS 570 N 0.00 0.84 -7.03 1.51 1.57 -1.93 -3.46 116.57 108.07 3hii h LYS 570 Ca -0.00 -0.43 -0.54 0.00 -1.87 0.00 0.00 60.65 57.81 3hii h LYS 570 Cb 0.57 0.01 0.12 0.00 0.08 0.00 0.00 32.23 33.01 3hii h LYS 570 CO 0.04 1.07 0.58 0.50 -0.57 0.00 0.00 179.45 181.07 3hii s ARG 571 N -4.38 3.33 -0.02 3.15 3.52 -0.99 -4.96 118.95 118.60 3hii s ARG 571 Ca -0.10 2.13 -0.30 0.00 -0.13 0.00 0.00 55.73 57.33 3hii s ARG 571 Cb 0.12 -2.32 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 3hii s ARG 571 CO 0.87 -1.01 1.42 -1.59 -0.81 0.00 0.00 175.30 174.18 3hii s LYS 572 N -2.83 4.27 -0.30 5.12 0.00 -1.26 -4.83 119.74 119.91 3hii s LYS 572 Ca 0.69 1.97 -0.19 0.00 0.00 0.00 0.00 55.97 58.43 3hii s LYS 572 Cb -0.38 -3.62 -0.01 0.00 0.00 0.00 0.00 37.83 33.82 3hii s LYS 572 CO 0.45 -0.61 0.59 -1.17 0.00 0.00 0.00 175.35 174.61 3hii s LEU 573 N 2.63 4.14 0.75 2.77 2.96 -1.26 -5.04 118.68 125.62 3hii s LEU 573 Ca 0.64 0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 54.82 3hii s LEU 573 Cb -0.31 -2.76 0.04 0.00 0.50 0.00 0.00 46.19 43.66 3hii s LEU 573 CO 0.26 -0.43 1.11 -2.65 -1.32 0.00 0.00 176.35 173.32 3hii n PRO 574 N 5.77 0.45 0.16 0.98 -0.02 -1.26 -4.91 135.00 136.17 3hii n PRO 574 Ca -0.02 0.22 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 3hii n PRO 574 Cb 0.49 -2.36 0.19 0.00 -0.02 0.00 0.00 33.50 31.80 3hii n PRO 574 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hii h LYS 575 N -0.44 0.00 -4.84 -0.52 6.56 -1.97 -3.40 116.57 111.96 3hii h LYS 575 Ca -0.47 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.45 3hii h LYS 575 Cb 1.32 0.00 -0.37 0.00 -0.57 0.00 0.00 32.23 32.61 3hii h LYS 575 CO 0.47 0.50 -0.78 0.71 -2.06 0.00 0.00 179.45 178.29 3hii s TYR 576 N -3.33 3.32 -0.42 -1.35 1.51 -1.17 -5.01 117.35 110.90 3hii s TYR 576 Ca 0.01 -2.35 -0.09 0.00 -1.01 0.00 0.00 57.07 53.63 3hii s TYR 576 Cb 0.10 -2.05 0.08 0.00 -0.11 0.00 0.00 41.96 39.98 3hii s TYR 576 CO 0.72 -0.88 0.26 -0.51 -1.11 0.00 0.00 175.55 174.03 3hii s LEU 577 N 1.10 5.17 -0.09 -1.29 1.43 -1.26 -1.93 118.68 121.80 3hii s LEU 577 Ca -0.07 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 3hii s LEU 577 Cb -0.20 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3hii s LEU 577 CO -0.05 -0.54 -0.10 -0.76 0.23 0.00 0.00 176.35 175.13 3hii s LEU 578 N 1.41 2.96 -0.27 1.79 1.43 -0.03 -0.83 118.68 125.15 3hii s LEU 578 Ca 0.03 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 3hii s LEU 578 Cb -0.23 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3hii s LEU 578 CO 0.02 0.27 0.02 -0.36 0.23 0.00 0.00 176.35 176.53 3hii s PHE 579 N -0.28 3.09 0.16 0.29 0.40 -0.32 -1.56 117.98 119.76 3hii s PHE 579 Ca 0.03 -1.07 0.08 0.00 -0.60 0.00 0.00 56.93 55.38 3hii s PHE 579 Cb -0.13 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3hii s PHE 579 CO 0.03 -0.59 -0.10 0.95 0.70 0.00 0.00 175.22 176.20 3hii s THR 580 N 1.46 3.20 0.09 0.64 -4.23 -0.11 -1.65 115.64 115.05 3hii s THR 580 Ca 0.03 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 3hii s THR 580 Cb -0.16 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3hii s THR 580 CO -0.00 -0.04 0.09 -0.55 -0.54 0.00 0.00 174.62 173.57 3hii s SER 581 N -2.63 5.52 0.48 3.99 0.15 0.01 -1.48 113.70 119.73 3hii s SER 581 Ca 0.23 -0.03 0.32 0.00 0.70 0.00 0.00 55.95 57.18 3hii s SER 581 Cb -0.09 -1.47 1.53 0.00 -1.71 0.00 0.00 66.02 64.27 3hii s SER 581 CO 0.14 0.15 1.97 -0.65 1.20 0.00 0.00 173.24 176.06 3hii h PRO 582 N 3.14 0.00 -6.90 5.44 0.11 -1.88 -3.33 132.00 128.59 3hii h PRO 582 Ca -0.47 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.12 3hii h PRO 582 Cb 1.17 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.35 3hii h PRO 582 CO 0.65 0.00 0.66 -0.65 -0.21 0.00 0.00 178.00 178.46 3hii s GLN 583 N -3.69 4.30 0.07 1.05 -0.21 -1.26 -4.88 119.66 115.03 3hii s GLN 583 Ca -0.00 2.28 0.02 0.00 0.02 0.00 0.00 55.36 57.68 3hii s GLN 583 Cb 0.10 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 3hii s GLN 583 CO 0.42 -0.26 0.12 -1.21 -2.12 0.00 0.00 175.29 172.24 3hii s GLU 584 N -1.87 3.07 1.01 2.91 2.02 -1.26 -0.87 118.70 123.71 3hii s GLU 584 Ca 0.50 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.72 3hii s GLU 584 Cb -0.41 -2.83 0.21 0.00 0.10 0.00 0.00 34.13 31.19 3hii s GLU 584 CO 0.55 0.58 1.23 0.54 0.02 0.00 0.00 175.26 178.18 3hii s ASN 585 N -2.44 2.70 0.13 -0.19 2.20 0.15 -4.84 114.94 112.65 3hii s ASN 585 Ca 0.31 0.49 0.10 0.00 -0.94 0.00 0.00 52.86 52.83 3hii s ASN 585 Cb -0.12 -0.69 0.52 0.00 -2.00 0.00 0.00 41.25 38.95 3hii s ASN 585 CO 0.24 -3.01 1.31 -2.65 -2.94 0.00 0.00 177.10 170.05 3hii n PRO 586 N -3.99 0.06 -0.35 3.55 -0.02 -1.26 -2.19 135.00 130.80 3hii n PRO 586 Ca 0.13 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 3hii n PRO 586 Cb 0.60 -1.68 0.27 0.00 -0.02 0.00 0.00 33.50 32.66 3hii n PRO 586 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hii n TRP 587 N -1.81 0.89 -0.64 6.00 7.02 -1.26 -4.95 117.44 122.68 3hii n TRP 587 Ca -0.00 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 55.94 3hii n TRP 587 Cb 0.04 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 3hii n TRP 587 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hii n GLY 588 N 1.08 0.67 3.65 6.99 0.00 -0.93 -5.06 105.19 111.59 3hii n GLY 588 Ca 0.20 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3hii n GLY 588 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hii s HIS 589 N -2.00 3.08 0.39 1.61 3.76 -1.26 -4.86 115.29 116.01 3hii s HIS 589 Ca 0.00 0.13 -0.27 0.00 -0.15 0.00 0.00 55.06 54.77 3hii s HIS 589 Cb 0.00 -1.75 -0.09 0.00 1.11 0.00 0.00 32.58 31.85 3hii s HIS 589 CO 0.00 0.42 1.33 0.15 -0.85 0.00 0.00 174.74 175.79 3hii s LYS 590 N -0.92 4.03 -0.20 1.40 3.01 -1.26 0.29 119.74 126.10 3hii s LYS 590 Ca 0.14 2.22 -0.29 0.00 -1.01 0.00 0.00 55.97 57.02 3hii s LYS 590 Cb -0.11 -2.83 -0.00 0.00 -1.01 0.00 0.00 37.83 33.88 3hii s LYS 590 CO 0.03 -0.46 1.12 1.03 0.51 0.00 0.00 175.35 177.57 3hii s ARG 591 N -2.16 4.26 0.12 1.68 0.52 -0.05 -4.62 118.95 118.70 3hii s ARG 591 Ca 0.55 1.47 -0.01 0.00 -0.52 0.00 0.00 55.73 57.22 3hii s ARG 591 Cb -0.39 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.36 3hii s ARG 591 CO 0.51 -0.64 0.06 -1.54 0.02 0.00 0.00 175.30 173.71 3hii s SER 592 N 1.46 0.32 -0.02 0.23 1.04 -0.62 -0.81 113.70 115.31 3hii s SER 592 Ca 0.48 -1.15 0.07 0.00 0.48 0.00 0.00 55.95 55.83 3hii s SER 592 Cb -0.18 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3hii s SER 592 CO 0.10 -0.72 -0.24 -0.31 0.98 0.00 0.00 173.24 173.05 3hii s TYR 593 N -4.02 2.13 -0.14 5.02 1.51 -0.66 -0.28 117.35 120.91 3hii s TYR 593 Ca 0.21 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 3hii s TYR 593 Cb 0.07 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 3hii s TYR 593 CO -0.00 -0.04 0.02 0.50 -1.11 0.00 0.00 175.55 174.91 3hii s ARG 594 N -0.55 3.55 -0.20 -0.62 3.52 0.17 -1.17 118.95 123.66 3hii s ARG 594 Ca 0.09 -0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 55.14 3hii s ARG 594 Cb -0.09 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 3hii s ARG 594 CO -0.01 0.42 0.31 -1.17 -0.81 0.00 0.00 175.30 174.04 3hii s LEU 595 N -0.08 4.17 -0.18 -0.88 2.96 -0.01 -1.25 118.68 123.41 3hii s LEU 595 Ca 0.04 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 3hii s LEU 595 Cb -0.13 -2.37 0.04 0.00 0.50 0.00 0.00 46.19 44.23 3hii s LEU 595 CO 0.02 0.01 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.37 3hii s GLN 596 N 1.00 2.03 -0.18 1.98 0.74 -0.21 -4.20 119.66 120.82 3hii s GLN 596 Ca 0.15 -0.69 -0.12 0.00 0.05 0.00 0.00 55.36 54.75 3hii s GLN 596 Cb -0.14 -2.24 -0.05 0.00 1.10 0.00 0.00 33.01 31.68 3hii s GLN 596 CO 0.06 -0.36 0.20 0.42 -0.55 0.00 0.00 175.29 175.06 3hii s ILE 597 N 1.46 5.37 -0.39 -2.34 1.01 -1.26 -0.28 121.20 124.77 3hii s ILE 597 Ca 0.01 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.95 3hii s ILE 597 Cb -0.15 -3.54 0.08 0.00 0.01 0.00 0.00 42.46 38.87 3hii s ILE 597 CO -0.09 0.42 0.19 -2.28 0.00 0.00 0.00 174.94 173.18 3hii s HIS 598 N 0.40 3.41 0.06 3.97 5.65 0.92 -4.98 115.29 124.72 3hii s HIS 598 Ca 0.12 -1.90 -0.24 0.00 0.25 0.00 0.00 55.06 53.28 3hii s HIS 598 Cb -0.12 -2.88 0.06 0.00 -1.18 0.00 0.00 32.58 28.46 3hii s HIS 598 CO 0.01 -0.88 0.57 0.45 -0.65 0.00 0.00 174.74 174.24 3hii s SER 599 N 1.85 -0.52 -0.05 9.88 0.15 -1.26 -1.55 113.70 122.19 3hii s SER 599 Ca 0.03 0.24 0.08 0.00 0.70 0.00 0.00 55.95 57.00 3hii s SER 599 Cb -0.22 0.53 0.12 0.00 -1.71 0.00 0.00 66.02 64.74 3hii s SER 599 CO -0.01 -0.76 1.04 0.23 1.20 0.00 0.00 173.24 174.95 3hii n MET 600 N 0.31 2.05 -1.19 5.44 2.81 -0.17 -4.97 117.12 121.41 3hii n MET 600 Ca -0.18 -1.90 -0.30 0.00 -1.81 0.00 0.00 57.70 53.51 3hii n MET 600 Cb 0.61 -1.17 0.13 0.00 -0.71 0.00 0.00 33.22 32.08 3hii n MET 600 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hii s ALA 601 N -1.72 1.62 0.39 3.04 0.00 -0.52 -4.48 121.76 120.08 3hii s ALA 601 Ca 0.14 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 3hii s ALA 601 Cb 0.12 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.08 3hii s ALA 601 CO 0.01 -2.30 0.77 0.34 0.00 0.00 0.00 175.76 174.59 3hii s ASP 602 N -3.38 0.07 0.01 0.00 -1.08 -1.26 -4.98 116.67 106.05 3hii s ASP 602 Ca 0.63 -1.19 -0.30 0.00 -0.52 0.00 0.00 52.55 51.17 3hii s ASP 602 Cb -0.18 0.85 -0.06 0.00 -1.46 0.00 0.00 42.92 42.07 3hii s ASP 602 CO 0.57 -1.68 1.42 -1.58 0.52 0.00 0.00 175.17 174.41 3hii s GLN 603 N -2.29 4.28 -0.08 4.34 2.00 -1.26 -4.93 119.66 121.71 3hii s GLN 603 Ca 0.16 1.99 -0.09 0.00 -2.00 0.00 0.00 55.36 55.43 3hii s GLN 603 Cb -0.05 -3.56 -0.03 0.00 0.80 0.00 0.00 33.01 30.17 3hii s GLN 603 CO 0.12 -0.58 -0.18 0.28 -0.50 0.00 0.00 175.29 174.44 3hii n VAL 604 N 4.63 0.83 -3.16 1.34 0.31 -1.26 -5.00 118.33 116.02 3hii n VAL 604 Ca 0.13 0.29 -0.30 0.00 -0.01 0.00 0.00 64.34 64.45 3hii n VAL 604 Cb 0.43 -1.91 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 3hii n VAL 604 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hii s LEU 605 N -6.59 3.99 0.13 7.52 1.43 -1.26 -5.04 118.68 118.85 3hii s LEU 605 Ca -0.15 0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 3hii s LEU 605 Cb 0.02 -3.76 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 3hii s LEU 605 CO 0.22 -0.26 1.23 -2.16 0.23 0.00 0.00 176.35 175.60 3hii s PRO 606 N -3.54 4.44 0.11 1.29 0.04 -1.26 -4.95 135.00 131.14 3hii s PRO 606 Ca 0.48 1.87 -0.34 0.00 0.04 0.00 0.00 61.00 63.05 3hii s PRO 606 Cb -0.11 -3.28 -0.13 0.00 0.04 0.00 0.00 34.50 31.02 3hii s PRO 606 CO 0.29 -0.20 1.67 -2.30 0.04 0.00 0.00 177.00 176.50 3hii n PRO 607 N 3.24 2.26 -0.12 0.56 -0.02 -1.26 -2.21 135.00 137.45 3hii n PRO 607 Ca 0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3hii n PRO 607 Cb 0.45 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3hii n PRO 607 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hii n GLY 608 N 3.72 0.82 3.49 -1.23 0.00 -1.26 -5.03 105.19 105.70 3hii n GLY 608 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3hii n GLY 608 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hii s TRP 609 N -2.43 3.02 0.00 1.61 -0.11 -0.94 -4.91 118.94 115.19 3hii s TRP 609 Ca 0.00 -0.24 0.00 0.00 1.22 0.00 0.00 56.10 57.08 3hii s TRP 609 Cb 0.00 -3.51 0.00 0.00 -1.50 0.00 0.00 33.47 28.46 3hii s TRP 609 CO 0.00 -0.99 0.00 1.04 -4.62 0.00 0.00 176.95 172.38 3hii n GLN 610 N 6.38 0.00 0.26 5.86 1.13 -1.26 -1.32 117.38 128.43 3hii n GLN 610 Ca -0.03 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.20 3hii n GLN 610 Cb 0.47 0.00 0.77 0.00 0.11 0.00 0.00 30.24 31.59 3hii n GLN 610 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3hii h GLU 611 N 0.00 0.00 -0.01 -1.09 3.07 -1.93 -2.37 114.58 112.25 3hii h GLU 611 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hii h GLU 611 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hii h GLU 611 CO 0.00 0.00 0.04 1.49 -1.40 0.00 0.00 179.01 179.14 3hii h GLU 612 N 0.00 0.00 -0.16 2.33 4.22 -1.47 0.00 114.58 119.50 3hii h GLU 612 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 3hii h GLU 612 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3hii h GLU 612 CO 0.00 0.00 0.18 0.37 -2.18 0.00 0.00 179.01 177.38 3hii h GLN 613 N 0.00 0.00 0.00 1.92 5.75 -1.61 -1.57 115.11 119.60 3hii h GLN 613 Ca 0.01 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 3hii h GLN 613 Cb 0.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3hii h GLN 613 CO -0.00 0.00 -0.42 0.00 -2.65 0.00 0.00 178.83 175.76 3hii h ALA 614 N 1.80 0.93 -1.01 3.38 0.00 -0.64 -3.36 119.26 120.36 3hii h ALA 614 Ca 0.08 -0.38 -0.45 0.00 0.00 0.00 0.00 54.91 54.16 3hii h ALA 614 Cb 0.43 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.74 3hii h ALA 614 CO -0.00 0.52 -0.97 0.44 0.00 0.00 0.00 179.25 179.25 3hii n ILE 615 N -3.50 1.76 0.28 0.00 -5.35 -0.61 -4.85 119.36 107.09 3hii n ILE 615 Ca 0.00 -3.84 0.16 0.00 -0.27 0.00 0.00 62.75 58.80 3hii n ILE 615 Cb 0.55 -0.16 0.76 0.00 -1.74 0.00 0.00 39.64 39.06 3hii n ILE 615 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3hii h THR 616 N 3.20 0.21 -0.02 7.28 1.35 -1.67 -1.48 112.91 121.78 3hii h THR 616 Ca 0.11 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3hii h THR 616 Cb 1.18 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3hii h THR 616 CO 0.60 0.06 0.01 4.11 -0.25 0.00 0.00 175.52 180.05 3hii h TRP 617 N 0.00 0.00 0.00 4.73 5.08 -1.90 -2.31 115.95 121.55 3hii h TRP 617 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hii h TRP 617 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 3hii h TRP 617 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3hii n ALA 618 N -2.51 2.36 0.24 0.11 0.00 -0.56 -1.54 120.51 118.61 3hii n ALA 618 Ca -0.03 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.44 3hii n ALA 618 Cb 0.10 -1.29 0.45 0.00 0.00 0.00 0.00 19.45 18.72 3hii n ALA 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hii h ARG 619 N 0.00 0.00 -4.49 0.00 3.08 -1.57 -3.43 114.38 107.96 3hii h ARG 619 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3hii h ARG 619 Cb 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.68 3hii h ARG 619 CO 0.00 0.07 -0.80 0.71 -1.07 0.00 0.00 179.97 178.88 3hii s TYR 620 N -3.49 2.43 0.35 3.04 2.02 -0.59 -3.12 117.35 117.99 3hii s TYR 620 Ca 0.03 -1.68 0.02 0.00 -0.37 0.00 0.00 57.07 55.08 3hii s TYR 620 Cb 0.08 -1.62 0.63 0.00 -0.40 0.00 0.00 41.96 40.65 3hii s TYR 620 CO 0.61 -0.76 1.99 -1.00 -1.57 0.00 0.00 175.55 174.82 3hii h PRO 621 N 7.96 0.80 -3.55 -1.71 0.13 -1.81 -3.25 132.00 130.57 3hii h PRO 621 Ca -0.23 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.59 3hii h PRO 621 Cb 1.08 -0.17 -0.30 0.00 0.13 0.00 0.00 31.00 31.74 3hii h PRO 621 CO 0.45 0.56 -0.67 -1.17 -0.23 0.00 0.00 178.00 176.93 3hii s LEU 622 N -9.64 1.50 -0.02 1.56 2.96 -1.25 -1.68 118.68 112.10 3hii s LEU 622 Ca -0.10 0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 3hii s LEU 622 Cb 0.17 0.12 0.00 0.00 0.50 0.00 0.00 46.19 46.99 3hii s LEU 622 CO 0.77 -0.06 0.10 0.00 -1.32 0.00 0.00 176.35 175.84 3hii s ALA 623 N 0.43 -0.24 -0.12 5.97 0.00 -0.69 -0.62 121.76 126.49 3hii s ALA 623 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3hii s ALA 623 Cb -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 3hii s ALA 623 CO -0.01 -0.13 -0.20 0.08 0.00 0.00 0.00 175.76 175.50 3hii s VAL 624 N -0.72 2.38 0.27 0.00 1.01 -1.19 -0.17 120.40 121.97 3hii s VAL 624 Ca -0.08 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.12 3hii s VAL 624 Cb -0.05 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3hii s VAL 624 CO 0.01 0.54 -0.19 0.42 0.00 0.00 0.00 175.10 175.88 3hii s THR 625 N 0.48 2.37 0.02 3.92 -4.23 0.26 -4.75 115.64 113.70 3hii s THR 625 Ca -0.14 -2.36 -0.30 0.00 -1.18 0.00 0.00 61.69 57.71 3hii s THR 625 Cb -0.17 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 3hii s THR 625 CO 0.05 -0.41 1.11 -0.75 -0.54 0.00 0.00 174.62 174.08 3hii s LYS 626 N -3.49 4.47 0.36 3.99 2.20 -1.26 -0.63 119.74 125.38 3hii s LYS 626 Ca 0.29 1.62 -0.26 0.00 -0.36 0.00 0.00 55.97 57.25 3hii s LYS 626 Cb -0.05 -3.42 -0.12 0.00 -1.51 0.00 0.00 37.83 32.73 3hii s LYS 626 CO 0.14 -0.21 1.04 0.98 -0.36 0.00 0.00 175.35 176.94 3hii n TYR 627 N 4.11 1.34 -3.64 4.03 4.19 0.63 -4.88 117.16 122.95 3hii n TYR 627 Ca 0.08 0.61 -0.08 0.00 3.31 0.00 0.00 57.90 61.82 3hii n TYR 627 Cb 0.48 -2.26 -0.07 0.00 0.49 0.00 0.00 39.34 37.98 3hii n TYR 627 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 3hii s ARG 628 N -1.80 0.67 0.53 2.98 3.52 -1.26 -5.02 118.95 118.57 3hii s ARG 628 Ca 0.60 1.02 0.24 0.00 -0.13 0.00 0.00 55.73 57.46 3hii s ARG 628 Cb -0.62 0.21 1.47 0.00 -1.56 0.00 0.00 34.95 34.45 3hii s ARG 628 CO 0.59 -0.12 2.13 0.93 -0.81 0.00 0.00 175.30 178.03 3hii h GLU 629 N 6.08 0.00 0.00 5.12 4.39 -2.02 0.14 114.58 128.30 3hii h GLU 629 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3hii h GLU 629 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3hii h GLU 629 CO 0.13 0.07 0.00 -1.13 -1.16 0.00 0.00 179.01 176.93 3hii n SER 630 N -4.00 0.00 -2.54 1.42 3.41 -1.26 -4.01 113.62 106.65 3hii n SER 630 Ca -0.03 -1.08 -0.09 0.00 -0.26 0.00 0.00 58.87 57.41 3hii n SER 630 Cb 0.16 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3hii n SER 630 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hii n GLU 631 N -0.94 2.40 0.21 4.33 1.02 0.04 -4.85 120.64 122.85 3hii n GLU 631 Ca 0.21 -3.75 0.10 0.00 -0.02 0.00 0.00 57.16 53.70 3hii n GLU 631 Cb 0.09 -1.85 0.36 0.00 -0.02 0.00 0.00 31.44 30.03 3hii n GLU 631 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hii h LEU 632 N 2.47 0.00 -8.16 -4.62 3.38 -1.69 -3.45 115.31 103.23 3hii h LEU 632 Ca 0.05 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.64 3hii h LEU 632 Cb 1.36 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.85 3hii h LEU 632 CO 0.40 0.20 -0.77 0.00 0.09 0.00 0.00 178.44 178.36 3hii n SER 634 N 2.19 0.65 -0.55 0.00 3.41 -1.26 -4.98 113.62 113.08 3hii n SER 634 Ca -0.17 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 3hii n SER 634 Cb 0.56 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 3hii n SER 634 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hii n SER 635 N -1.80 0.25 -3.68 4.04 2.88 -1.26 -4.59 113.62 109.46 3hii n SER 635 Ca 0.02 -0.49 -0.03 0.00 -1.33 0.00 0.00 58.87 57.04 3hii n SER 635 Cb 0.41 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.85 3hii n SER 635 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hii s SER 636 N 0.02 -0.18 0.28 -3.46 1.04 -1.26 -4.93 113.70 105.20 3hii s SER 636 Ca 0.00 -0.26 0.22 0.00 0.48 0.00 0.00 55.95 56.39 3hii s SER 636 Cb 0.00 0.39 1.04 0.00 0.10 0.00 0.00 66.02 67.55 3hii s SER 636 CO 0.00 -0.71 1.68 2.30 0.98 0.00 0.00 173.24 177.49 3hii n ILE 637 N -0.42 0.94 0.62 -1.02 -5.35 -1.26 -2.82 119.36 110.06 3hii n ILE 637 Ca -0.07 0.45 0.12 0.00 -0.27 0.00 0.00 62.75 62.98 3hii n ILE 637 Cb 0.61 -1.41 0.13 0.00 -1.74 0.00 0.00 39.64 37.23 3hii n ILE 637 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3hii n TYR 638 N -2.23 0.39 -0.13 4.28 4.02 -1.26 -4.27 117.16 117.96 3hii n TYR 638 Ca 0.01 0.11 -0.01 0.00 -0.01 0.00 0.00 57.90 57.99 3hii n TYR 638 Cb 0.14 -0.53 0.23 0.00 -0.02 0.00 0.00 39.34 39.16 3hii n TYR 638 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hii h HIS 639 N 0.00 0.82 -0.39 -0.72 3.86 -1.81 -2.22 115.15 114.70 3hii h HIS 639 Ca 0.00 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3hii h HIS 639 Cb 0.71 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3hii h HIS 639 CO 0.00 0.65 0.20 0.37 0.86 0.00 0.00 177.93 180.00 3hii h GLN 640 N 0.80 0.39 -0.01 2.45 5.75 -1.80 -2.28 115.11 120.41 3hii h GLN 640 Ca 0.19 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3hii h GLN 640 Cb 0.19 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.65 3hii h GLN 640 CO -0.01 0.26 -0.58 0.09 -2.65 0.00 0.00 178.83 175.93 3hii n ASN 641 N -4.92 1.43 -3.26 -0.69 3.02 -1.14 -4.09 115.26 105.61 3hii n ASN 641 Ca 0.01 -1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 53.17 3hii n ASN 641 Cb 0.09 0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 39.72 3hii n ASN 641 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hii n ASP 642 N -0.67 0.48 0.17 6.41 -0.08 -0.85 -4.43 116.55 117.59 3hii n ASP 642 Ca 0.08 -2.72 0.13 0.00 -1.51 0.00 0.00 54.79 50.77 3hii n ASP 642 Cb 0.40 -0.63 0.54 0.00 2.34 0.00 0.00 41.12 43.77 3hii n ASP 642 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hii h PRO 643 N 4.32 0.00 0.00 -0.67 0.13 -1.60 -2.87 132.00 131.31 3hii h PRO 643 Ca 0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.03 3hii h PRO 643 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3hii h PRO 643 CO 0.49 0.00 -0.93 -1.49 -0.23 0.00 0.00 178.00 175.84 3hii h TRP 644 N 0.00 0.52 -1.58 1.56 6.55 -1.85 -2.72 115.95 118.44 3hii h TRP 644 Ca 0.00 -0.29 -0.44 0.00 0.95 0.00 0.00 58.89 59.12 3hii h TRP 644 Cb 0.42 -0.06 -0.35 0.00 -0.86 0.00 0.00 29.16 28.31 3hii h TRP 644 CO 0.00 1.10 -1.03 -3.47 -1.05 0.00 0.00 178.44 173.99 3hii n ASP 645 N -3.72 0.07 -4.88 -3.49 2.03 -1.14 -4.90 116.55 100.52 3hii n ASP 645 Ca -0.06 -3.11 -0.30 0.00 0.52 0.00 0.00 54.79 51.84 3hii n ASP 645 Cb 0.83 -0.09 0.05 0.00 -0.72 0.00 0.00 41.12 41.20 3hii n ASP 645 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hii s PRO 646 N -1.71 2.69 0.04 -0.67 0.04 -1.10 -4.97 135.00 129.33 3hii s PRO 646 Ca 0.36 0.45 0.24 0.00 0.04 0.00 0.00 61.00 62.10 3hii s PRO 646 Cb 0.32 -2.00 1.01 0.00 0.04 0.00 0.00 34.50 33.86 3hii s PRO 646 CO -0.08 -1.15 1.78 -0.35 0.04 0.00 0.00 177.00 177.23 3hii n PRO 647 N -3.08 0.04 -3.84 0.56 -0.04 -1.26 -4.62 135.00 122.76 3hii n PRO 647 Ca 0.07 0.12 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 3hii n PRO 647 Cb 0.57 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 32.30 3hii n PRO 647 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hii s VAL 648 N -3.03 0.16 -0.27 0.52 1.01 -1.26 -5.11 120.40 112.41 3hii s VAL 648 Ca 0.11 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3hii s VAL 648 Cb 0.15 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 36.30 3hii s VAL 648 CO 0.46 0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 174.96 3hii s VAL 649 N 1.47 2.17 0.30 2.92 1.01 -1.26 -4.87 120.40 122.14 3hii s VAL 649 Ca -0.03 -1.74 0.03 0.00 0.00 0.00 0.00 61.98 60.24 3hii s VAL 649 Cb -0.13 -2.33 0.29 0.00 0.00 0.00 0.00 36.38 34.22 3hii s VAL 649 CO -0.03 -0.12 1.85 0.15 0.00 0.00 0.00 175.10 176.95 3hii h PHE 650 N 7.75 1.05 -0.90 5.22 3.57 -1.86 0.02 116.94 131.80 3hii h PHE 650 Ca -0.17 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.58 3hii h PHE 650 Cb 1.04 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 3hii h PHE 650 CO 0.61 0.42 0.61 1.49 -2.23 0.00 0.00 178.31 179.21 3hii h GLU 651 N 0.92 0.29 0.00 1.11 4.57 -1.95 -0.23 114.58 119.29 3hii h GLU 651 Ca 0.48 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.61 3hii h GLU 651 Cb 0.52 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3hii h GLU 651 CO -0.24 0.19 -0.13 1.96 -1.18 0.00 0.00 179.01 179.61 3hii h GLN 652 N 0.29 0.00 0.00 1.92 4.20 -1.42 -1.09 115.11 119.01 3hii h GLN 652 Ca 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.15 3hii h GLN 652 Cb 1.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 3hii h GLN 652 CO -0.14 0.13 -0.10 0.74 -0.67 0.00 0.00 178.83 178.79 3hii h PHE 653 N 0.00 0.00 0.00 2.96 0.04 -1.14 -2.67 116.94 116.12 3hii h PHE 653 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hii h PHE 653 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3hii h PHE 653 CO 0.00 0.10 -0.97 1.28 -0.60 0.00 0.00 178.31 178.12 3hii n LEU 654 N -3.55 0.66 -0.22 1.54 4.77 -0.43 -4.51 117.00 115.27 3hii n LEU 654 Ca -0.02 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 3hii n LEU 654 Cb 0.23 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 3hii n LEU 654 CO 0.29 -0.05 0.98 0.45 -1.33 0.00 0.00 177.39 177.73 3hii h HIS 655 N 0.00 0.38 0.00 -1.77 3.86 -1.34 -1.40 115.15 114.89 3hii h HIS 655 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3hii h HIS 655 Cb 0.82 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3hii h HIS 655 CO 0.00 0.06 0.00 0.27 0.86 0.00 0.00 177.93 179.12 3hii n ASN 656 N -5.03 0.00 -4.01 2.45 0.23 -1.26 -4.94 115.26 102.71 3hii n ASN 656 Ca 0.10 -0.44 -0.38 0.00 -0.53 0.00 0.00 54.58 53.33 3hii n ASN 656 Cb 0.32 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3hii n ASN 656 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hii n ASN 657 N -1.18 -3.09 -4.82 0.53 5.15 -0.53 -4.86 115.26 106.47 3hii n ASN 657 Ca 0.17 -1.19 -0.32 0.00 -0.60 0.00 0.00 54.58 52.64 3hii n ASN 657 Cb 0.18 -2.25 0.00 0.00 -0.53 0.00 0.00 39.78 37.18 3hii n ASN 657 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hii s GLU 658 N -6.97 3.42 0.24 1.20 2.02 -1.26 -4.35 118.70 113.01 3hii s GLU 658 Ca 0.35 1.11 -0.30 0.00 0.02 0.00 0.00 54.97 56.15 3hii s GLU 658 Cb -0.17 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 31.91 3hii s GLU 658 CO 0.94 -0.72 1.43 1.21 0.02 0.00 0.00 175.26 178.14 3hii s ASN 659 N -3.00 6.68 -0.15 -0.19 3.84 -1.26 -1.06 114.94 119.80 3hii s ASN 659 Ca 0.62 2.64 0.14 0.00 0.21 0.00 0.00 52.86 56.47 3hii s ASN 659 Cb -0.14 -2.62 0.36 0.00 -0.55 0.00 0.00 41.25 38.30 3hii s ASN 659 CO 0.38 -0.69 1.18 2.30 -2.79 0.00 0.00 177.10 177.49 3hii n ILE 660 N 2.37 1.73 -3.10 -5.21 -5.35 0.36 -4.89 119.36 105.27 3hii n ILE 660 Ca 0.07 -2.52 -0.40 0.00 -0.27 0.00 0.00 62.75 59.63 3hii n ILE 660 Cb 0.40 -0.05 -0.05 0.00 -1.74 0.00 0.00 39.64 38.21 3hii n ILE 660 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3hii s GLU 661 N -2.56 4.36 -1.09 6.28 2.02 -1.26 -4.38 118.70 122.07 3hii s GLU 661 Ca 0.34 0.76 -0.19 0.00 0.02 0.00 0.00 54.97 55.89 3hii s GLU 661 Cb 0.33 -3.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.07 3hii s GLU 661 CO -0.05 -0.02 0.77 0.09 0.02 0.00 0.00 175.26 176.07 3hii n ASN 662 N 4.16 -5.41 -4.14 -0.19 3.02 -0.89 -4.99 115.26 106.82 3hii n ASN 662 Ca -0.02 -0.97 -0.09 0.00 -0.03 0.00 0.00 54.58 53.47 3hii n ASN 662 Cb 0.51 -3.27 -0.10 0.00 -0.61 0.00 0.00 39.78 36.31 3hii n ASN 662 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hii s GLU 663 N -5.78 0.85 -0.48 3.52 2.56 -0.47 -4.76 118.70 114.13 3hii s GLU 663 Ca 0.41 -1.39 -0.28 0.00 0.00 0.00 0.00 54.97 53.71 3hii s GLU 663 Cb -0.15 0.19 0.01 0.00 2.00 0.00 0.00 34.13 36.18 3hii s GLU 663 CO 0.86 -0.21 1.47 0.34 -0.56 0.00 0.00 175.26 177.17 3hii s ASP 664 N -3.02 6.14 0.06 -1.70 -1.08 -1.25 -0.61 116.67 115.21 3hii s ASP 664 Ca 0.19 0.60 0.01 0.00 -0.52 0.00 0.00 52.55 52.83 3hii s ASP 664 Cb 0.07 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.95 3hii s ASP 664 CO -0.01 -1.64 0.15 -0.76 0.52 0.00 0.00 175.17 173.43 3hii s LEU 665 N 6.07 4.10 -0.13 -1.34 1.43 -1.26 -0.26 118.68 127.29 3hii s LEU 665 Ca 0.59 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3hii s LEU 665 Cb -0.13 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.38 3hii s LEU 665 CO 0.29 0.18 -0.18 -0.69 0.23 0.00 0.00 176.35 176.17 3hii s VAL 666 N -1.44 1.76 0.08 -1.59 1.01 0.20 -4.01 120.40 116.42 3hii s VAL 666 Ca 0.32 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3hii s VAL 666 Cb -0.13 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 3hii s VAL 666 CO 0.25 0.49 0.64 0.00 0.00 0.00 0.00 175.10 176.48 3hii s ALA 667 N 0.99 3.52 -0.08 5.51 0.00 -0.45 -0.58 121.76 130.69 3hii s ALA 667 Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3hii s ALA 667 Cb -0.15 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3hii s ALA 667 CO -0.03 0.31 -0.20 -1.58 0.00 0.00 0.00 175.76 174.26 3hii s TRP 668 N -0.90 2.12 -0.09 0.00 0.52 0.76 -0.26 118.94 121.10 3hii s TRP 668 Ca 0.32 -0.81 0.02 0.00 0.02 0.00 0.00 56.10 55.65 3hii s TRP 668 Cb -0.20 -1.45 0.01 0.00 -1.15 0.00 0.00 33.47 30.68 3hii s TRP 668 CO 0.21 -0.34 -0.17 0.08 0.02 0.00 0.00 176.95 176.76 3hii s VAL 669 N 0.38 1.53 -0.19 4.03 1.01 -0.42 -1.71 120.40 125.03 3hii s VAL 669 Ca -0.15 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 3hii s VAL 669 Cb -0.16 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3hii s VAL 669 CO 0.06 0.44 0.10 -0.89 0.00 0.00 0.00 175.10 174.82 3hii s THR 670 N 0.73 5.15 0.16 3.92 2.01 -0.68 -0.45 115.64 126.48 3hii s THR 670 Ca -0.12 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.02 3hii s THR 670 Cb -0.16 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3hii s THR 670 CO 0.03 0.45 -0.09 0.68 -0.69 0.00 0.00 174.62 174.99 3hii s VAL 671 N 0.33 1.17 -3.46 3.82 -7.23 -0.33 -4.65 120.40 110.05 3hii s VAL 671 Ca 0.06 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3hii s VAL 671 Cb -0.12 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.93 3hii s VAL 671 CO -0.01 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 3hii n GLY 672 N -0.22 -0.98 3.59 2.32 0.00 -1.26 0.16 105.19 108.80 3hii n GLY 672 Ca -0.10 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3hii n GLY 672 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hii s PHE 673 N -3.00 -0.54 0.13 1.61 -0.12 -0.59 -1.00 117.98 114.47 3hii s PHE 673 Ca 0.00 1.11 -0.31 0.00 -0.05 0.00 0.00 56.93 57.68 3hii s PHE 673 Cb 0.00 0.39 -0.08 0.00 -0.63 0.00 0.00 43.02 42.69 3hii s PHE 673 CO 0.00 -0.39 1.42 -1.17 -0.05 0.00 0.00 175.22 175.03 3hii s LEU 674 N -0.55 4.37 -0.31 -1.99 2.96 -1.26 -1.36 118.68 120.55 3hii s LEU 674 Ca -0.03 2.39 -0.00 0.00 -0.22 0.00 0.00 54.13 56.27 3hii s LEU 674 Cb -0.02 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.14 3hii s LEU 674 CO 0.02 -0.68 0.00 -2.28 -1.32 0.00 0.00 176.35 172.09 3hii s HIS 675 N 1.04 3.34 -0.46 5.38 5.65 0.57 -4.96 115.29 125.83 3hii s HIS 675 Ca 0.65 -2.11 -0.17 0.00 0.25 0.00 0.00 55.06 53.68 3hii s HIS 675 Cb -0.38 -2.25 0.05 0.00 -1.18 0.00 0.00 32.58 28.82 3hii s HIS 675 CO 0.31 -0.85 0.47 0.42 -0.65 0.00 0.00 174.74 174.44 3hii s ILE 676 N 1.18 5.09 0.76 0.89 1.01 -1.26 -2.18 121.20 126.68 3hii s ILE 676 Ca -0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3hii s ILE 676 Cb -0.20 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.18 3hii s ILE 676 CO -0.03 -0.59 1.24 -2.84 0.00 0.00 0.00 174.94 172.72 3hii s PRO 677 N 2.08 1.91 0.13 2.79 0.02 -1.26 -5.03 135.00 135.64 3hii s PRO 677 Ca 0.10 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 62.97 3hii s PRO 677 Cb -0.20 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 3hii s PRO 677 CO 0.10 -2.04 0.07 -3.38 -0.33 0.00 0.00 177.00 171.43 3hii s HIS 678 N -1.90 0.84 0.52 6.54 -3.43 -1.26 -4.53 115.29 112.07 3hii s HIS 678 Ca 0.76 -1.21 0.18 0.00 -0.80 0.00 0.00 55.06 54.00 3hii s HIS 678 Cb -0.32 -0.45 1.30 0.00 -1.43 0.00 0.00 32.58 31.68 3hii s HIS 678 CO 0.47 -0.53 2.11 0.66 -2.00 0.00 0.00 174.74 175.45 3hii h SER 679 N 2.84 0.00 0.27 7.38 4.64 -1.90 0.10 113.55 126.89 3hii h SER 679 Ca -0.35 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3hii h SER 679 Cb 1.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hii h SER 679 CO 0.58 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.21 3hii h GLU 680 N 0.00 0.00 0.00 4.77 3.07 -1.96 -1.78 114.58 118.69 3hii h GLU 680 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3hii h GLU 680 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3hii h GLU 680 CO -0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 3hii n ASP 681 N -2.60 0.00 -4.66 1.42 8.00 0.36 -4.72 116.55 114.35 3hii n ASP 681 Ca -0.01 -0.32 -0.36 0.00 0.71 0.00 0.00 54.79 54.81 3hii n ASP 681 Cb 0.12 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 3hii n ASP 681 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hii s ILE 682 N -2.20 5.26 -0.09 0.53 -1.09 -0.67 -1.37 121.20 121.56 3hii s ILE 682 Ca 0.22 0.14 0.15 0.00 -2.23 0.00 0.00 60.65 58.93 3hii s ILE 682 Cb 0.11 -3.43 0.04 0.00 -1.58 0.00 0.00 42.46 37.60 3hii s ILE 682 CO 0.21 0.37 1.46 1.55 -1.23 0.00 0.00 174.94 177.31 3hii h PRO 683 N 7.31 0.00 -5.44 2.79 0.13 -1.84 -3.50 132.00 131.44 3hii h PRO 683 Ca -0.38 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.31 3hii h PRO 683 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 3hii h PRO 683 CO 0.68 0.54 -0.79 -0.80 -0.23 0.00 0.00 178.00 177.40 3hii s ASN 684 N -6.48 1.78 0.39 1.44 0.02 -0.47 -4.62 114.94 106.99 3hii s ASN 684 Ca 0.03 -0.59 -0.26 0.00 -1.02 0.00 0.00 52.86 51.02 3hii s ASN 684 Cb 0.08 -0.07 -0.09 0.00 0.02 0.00 0.00 41.25 41.19 3hii s ASN 684 CO 0.75 -0.04 1.27 0.42 0.02 0.00 0.00 177.10 179.52 3hii s THR 685 N -1.17 2.75 0.19 1.60 -4.23 -0.20 -4.45 115.64 110.13 3hii s THR 685 Ca -0.00 0.69 0.05 0.00 -1.18 0.00 0.00 61.69 61.24 3hii s THR 685 Cb -0.10 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 3hii s THR 685 CO 0.02 0.11 0.21 0.00 -0.54 0.00 0.00 174.62 174.42 3hii s ALA 686 N -1.26 3.69 0.06 3.99 0.00 -1.26 -3.51 121.76 123.48 3hii s ALA 686 Ca 0.55 -1.23 0.13 0.00 0.00 0.00 0.00 51.96 51.41 3hii s ALA 686 Cb -0.37 -1.47 0.21 0.00 0.00 0.00 0.00 23.12 21.50 3hii s ALA 686 CO 0.48 0.42 1.51 1.79 0.00 0.00 0.00 175.76 179.95 3hii h THR 687 N 1.73 1.16 -2.43 0.00 1.35 -1.91 -3.41 112.91 109.40 3hii h THR 687 Ca -0.49 -2.30 -0.53 0.00 -0.55 0.00 0.00 66.41 62.54 3hii h THR 687 Cb 1.21 2.35 0.03 0.00 -1.73 0.00 0.00 68.15 70.01 3hii h THR 687 CO 0.63 0.59 1.15 -2.65 -0.25 0.00 0.00 175.52 175.00 3hii n PRO 688 N -3.42 2.80 -0.86 4.72 -0.02 -1.26 -0.90 135.00 136.05 3hii n PRO 688 Ca 0.00 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3hii n PRO 688 Cb 0.70 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3hii n PRO 688 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hii n GLY 689 N 4.34 0.65 2.64 -1.23 0.00 -1.26 -4.89 105.19 105.45 3hii n GLY 689 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3hii n GLY 689 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hii n ASN 690 N -0.03 5.75 -4.10 1.61 3.02 -0.08 -4.99 115.26 116.43 3hii n ASN 690 Ca 0.00 -3.76 -0.12 0.00 -0.03 0.00 0.00 54.58 50.67 3hii n ASN 690 Cb 0.02 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.39 3hii n ASN 690 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hii s SER 691 N -2.63 0.95 0.19 6.41 1.04 -1.26 -1.75 113.70 116.64 3hii s SER 691 Ca 0.49 -0.73 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 3hii s SER 691 Cb 0.41 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 3hii s SER 691 CO -0.27 -0.31 0.25 0.68 0.98 0.00 0.00 173.24 174.57 3hii s VAL 692 N -2.29 0.04 -4.40 5.02 -7.23 -0.81 -4.95 120.40 105.79 3hii s VAL 692 Ca -0.01 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 3hii s VAL 692 Cb -0.04 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3hii s VAL 692 CO -0.02 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 3hii n GLY 693 N -0.25 -0.40 3.59 2.32 0.00 -0.60 -0.82 105.19 109.03 3hii n GLY 693 Ca -0.04 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 3hii n GLY 693 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hii s PHE 694 N -4.00 -0.35 0.04 1.61 -0.12 -0.64 -0.06 117.98 114.46 3hii s PHE 694 Ca 0.00 0.03 0.09 0.00 -0.05 0.00 0.00 56.93 57.00 3hii s PHE 694 Cb 0.00 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 3hii s PHE 694 CO 0.00 -1.00 -0.26 -0.51 -0.05 0.00 0.00 175.22 173.40 3hii s LEU 695 N -2.83 2.18 -0.21 -1.99 1.02 0.62 -0.52 118.68 116.95 3hii s LEU 695 Ca 0.06 -0.58 -0.03 0.00 0.02 0.00 0.00 54.13 53.60 3hii s LEU 695 Cb -0.03 -1.30 -0.01 0.00 0.02 0.00 0.00 46.19 44.88 3hii s LEU 695 CO -0.04 0.26 -0.07 -0.76 0.02 0.00 0.00 176.35 175.76 3hii s LEU 696 N -1.23 2.80 -0.03 1.79 1.43 0.44 -1.04 118.68 122.84 3hii s LEU 696 Ca 0.12 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3hii s LEU 696 Cb -0.10 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3hii s LEU 696 CO 0.02 -0.01 -0.12 0.00 0.23 0.00 0.00 176.35 176.48 3hii s ARG 697 N 1.39 1.27 0.39 1.70 1.70 -0.38 -0.93 118.95 124.09 3hii s ARG 697 Ca 0.05 -0.41 -0.26 0.00 -0.47 0.00 0.00 55.73 54.63 3hii s ARG 697 Cb -0.14 -1.14 -0.09 0.00 -0.57 0.00 0.00 34.95 33.01 3hii s ARG 697 CO -0.04 0.15 1.28 -1.25 -1.08 0.00 0.00 175.30 174.36 3hii s PRO 698 N 0.17 4.05 -0.29 3.89 0.04 -1.26 0.44 135.00 142.03 3hii s PRO 698 Ca -0.04 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 3hii s PRO 698 Cb -0.10 -2.80 0.10 0.00 0.04 0.00 0.00 34.50 31.75 3hii s PRO 698 CO 0.01 -0.41 0.14 0.12 0.04 0.00 0.00 177.00 176.90 3hii s PHE 699 N -1.27 0.30 -1.68 0.56 5.36 0.61 -4.78 117.98 117.09 3hii s PHE 699 Ca 0.56 -0.89 0.00 0.00 -0.96 0.00 0.00 56.93 55.63 3hii s PHE 699 Cb -0.37 -0.88 0.00 0.00 -0.34 0.00 0.00 43.02 41.43 3hii s PHE 699 CO 0.48 -0.84 0.00 0.09 -1.46 0.00 0.00 175.22 173.49 3hii n ASN 700 N 5.17 -5.00 -0.00 6.13 3.02 -1.26 -1.59 115.26 121.73 3hii n ASN 700 Ca -0.05 0.30 -0.17 0.00 -0.03 0.00 0.00 54.58 54.63 3hii n ASN 700 Cb 0.42 -4.00 -0.14 0.00 -0.61 0.00 0.00 39.78 35.45 3hii n ASN 700 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hii h PHE 701 N 0.00 0.33 -2.66 3.10 3.04 -1.82 -3.33 116.94 115.60 3hii h PHE 701 Ca -0.36 -0.23 -0.56 0.00 3.98 0.00 0.00 57.97 60.80 3hii h PHE 701 Cb 1.14 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.58 3hii h PHE 701 CO 0.46 1.16 -0.54 -0.06 -2.02 0.00 0.00 178.31 177.31 3hii s PHE 702 N -2.43 3.21 0.44 0.41 0.40 -1.26 -4.87 117.98 113.89 3hii s PHE 702 Ca -0.16 0.01 0.21 0.00 -0.60 0.00 0.00 56.93 56.39 3hii s PHE 702 Cb -0.00 -1.54 1.25 0.00 0.51 0.00 0.00 43.02 43.23 3hii s PHE 702 CO 0.77 0.52 2.04 -1.35 0.70 0.00 0.00 175.22 177.90 3hii h PRO 703 N 2.32 0.00 0.00 0.24 0.11 -2.00 -3.46 132.00 129.21 3hii h PRO 703 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3hii h PRO 703 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hii h PRO 703 CO 0.64 0.15 0.31 -0.85 -0.21 0.00 0.00 178.00 178.04 3hii n GLU 704 N -3.98 1.08 -1.44 1.05 0.28 -1.26 -4.98 120.64 111.39 3hii n GLU 704 Ca -0.02 -2.14 -0.55 0.00 -0.16 0.00 0.00 57.16 54.29 3hii n GLU 704 Cb 0.24 2.69 -0.09 0.00 1.43 0.00 0.00 31.44 35.71 3hii n GLU 704 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3hii n ASP 705 N -1.51 1.72 0.14 -1.84 2.03 -1.26 -4.82 116.55 111.01 3hii n ASP 705 Ca -0.08 0.64 0.11 0.00 0.52 0.00 0.00 54.79 55.98 3hii n ASP 705 Cb 0.59 -1.12 0.52 0.00 -0.72 0.00 0.00 41.12 40.39 3hii n ASP 705 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hii n PRO 706 N 7.34 0.17 0.00 -0.67 -0.04 -1.26 -1.45 135.00 139.09 3hii n PRO 706 Ca 0.42 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.51 3hii n PRO 706 Cb 0.12 -1.90 0.68 0.00 -0.04 0.00 0.00 33.50 32.36 3hii n PRO 706 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hii n SER 707 N -2.23 0.00 0.31 3.54 3.41 -1.26 -3.70 113.62 113.69 3hii n SER 707 Ca 0.01 -0.22 0.19 0.00 -0.26 0.00 0.00 58.87 58.59 3hii n SER 707 Cb 0.16 -0.23 1.05 0.00 -0.26 0.00 0.00 64.21 64.93 3hii n SER 707 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hii h LEU 708 N 0.00 0.00 -0.22 1.04 3.38 -1.61 -0.84 115.31 117.06 3hii h LEU 708 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hii h LEU 708 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hii h LEU 708 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3hii n ALA 709 N -2.18 1.96 -1.85 1.53 0.00 -1.24 -4.79 120.51 113.93 3hii n ALA 709 Ca -0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3hii n ALA 709 Cb 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 3hii n ALA 709 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hii s SER 710 N -3.82 6.51 0.00 0.00 0.15 -0.32 -4.90 113.70 111.31 3hii s SER 710 Ca 0.08 2.72 0.19 0.00 0.70 0.00 0.00 55.95 59.65 3hii s SER 710 Cb 0.12 -2.60 0.60 0.00 -1.71 0.00 0.00 66.02 62.43 3hii s SER 710 CO 0.45 -0.87 1.46 0.54 1.20 0.00 0.00 173.24 176.02 3hii n ARG 711 N 3.81 1.91 0.08 5.44 5.12 -1.26 -4.04 116.66 127.72 3hii n ARG 711 Ca 0.14 -1.39 0.13 0.00 -1.93 0.00 0.00 57.85 54.80 3hii n ARG 711 Cb 0.37 -1.40 0.45 0.00 -1.16 0.00 0.00 32.46 30.73 3hii n ARG 711 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3hii n ASP 712 N 0.61 0.63 -4.69 0.55 8.00 -1.26 -3.50 116.55 116.89 3hii n ASP 712 Ca 0.16 0.56 -0.43 0.00 0.71 0.00 0.00 54.79 55.79 3hii n ASP 712 Cb 0.38 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 40.74 3hii n ASP 712 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hii n THR 713 N -2.09 1.66 -4.99 -3.53 -1.04 -1.26 -4.63 114.28 98.40 3hii n THR 713 Ca 0.06 -0.41 -0.28 0.00 -2.04 0.00 0.00 64.05 61.37 3hii n THR 713 Cb 0.40 -1.57 -0.16 0.00 -1.82 0.00 0.00 70.33 67.19 3hii n THR 713 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hii s VAL 714 N -0.75 1.65 -0.11 12.58 1.01 -0.29 -4.29 120.40 130.20 3hii s VAL 714 Ca 0.59 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3hii s VAL 714 Cb -0.59 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3hii s VAL 714 CO 0.58 0.47 -0.13 -0.63 0.00 0.00 0.00 175.10 175.38 3hii s ILE 715 N -0.04 1.38 -0.20 2.22 1.01 -0.86 -1.32 121.20 123.38 3hii s ILE 715 Ca -0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 3hii s ILE 715 Cb -0.12 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 3hii s ILE 715 CO 0.03 0.42 0.11 -0.69 0.00 0.00 0.00 174.94 174.80 3hii s VAL 716 N 1.10 5.11 -0.03 2.92 1.01 0.65 0.23 120.40 131.39 3hii s VAL 716 Ca -0.05 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3hii s VAL 716 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3hii s VAL 716 CO -0.03 0.42 -0.26 0.26 0.00 0.00 0.00 175.10 175.50 3hii s TRP 717 N 0.56 2.36 0.62 5.22 0.52 -0.26 -1.39 118.94 126.57 3hii s TRP 717 Ca 0.06 -0.50 -0.15 0.00 0.02 0.00 0.00 56.10 55.53 3hii s TRP 717 Cb -0.12 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3hii s TRP 717 CO 0.00 -0.08 1.06 -1.25 0.02 0.00 0.00 176.95 176.71 3hii s PRO 718 N -0.51 3.17 -0.02 4.98 0.04 -1.26 -0.70 135.00 140.70 3hii s PRO 718 Ca 0.07 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.31 3hii s PRO 718 Cb -0.11 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3hii s PRO 718 CO 0.00 -0.93 -0.06 1.03 0.04 0.00 0.00 177.00 177.09 3hii s ARG 719 N -4.26 0.65 0.04 4.56 0.52 -1.26 -4.76 118.95 114.44 3hii s ARG 719 Ca 0.63 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 3hii s ARG 719 Cb -0.16 -0.65 -0.08 0.00 0.52 0.00 0.00 34.95 34.59 3hii s ARG 719 CO 0.41 0.06 1.70 -0.51 0.02 0.00 0.00 175.30 176.97 3hii s ASP 720 N 0.25 6.59 -1.65 0.23 1.01 -1.26 -2.71 116.67 119.14 3hii s ASP 720 Ca -0.03 2.46 -0.01 0.00 0.71 0.00 0.00 52.55 55.68 3hii s ASP 720 Cb -0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3hii s ASP 720 CO -0.00 -0.92 0.16 0.59 0.21 0.00 0.00 175.17 175.22 3hii n ASN 721 N 6.14 -5.78 -3.55 0.27 3.02 -1.26 -4.98 115.26 109.11 3hii n ASN 721 Ca 0.17 -0.09 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 3hii n ASN 721 Cb 0.41 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 34.80 3hii n ASN 721 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hii s GLY 722 N -2.27 0.78 0.87 7.41 0.00 -1.10 -5.16 107.32 107.84 3hii s GLY 722 Ca 0.08 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 3hii s GLY 722 CO 0.10 -0.66 1.10 -4.14 0.00 0.00 0.00 173.10 169.50 3hii s PRO 723 N -3.39 1.47 0.60 2.90 0.02 -1.26 -4.52 135.00 130.82 3hii s PRO 723 Ca 0.23 1.10 -0.17 0.00 0.02 0.00 0.00 61.00 62.18 3hii s PRO 723 Cb -0.02 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 3hii s PRO 723 CO 0.13 -2.17 1.13 -0.80 -0.33 0.00 0.00 177.00 174.96 3hii s ASN 724 N -3.21 5.35 -0.37 2.53 0.01 -1.26 -4.34 114.94 113.65 3hii s ASN 724 Ca 0.63 2.13 -0.21 0.00 -0.71 0.00 0.00 52.86 54.70 3hii s ASN 724 Cb -0.19 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 38.91 3hii s ASN 724 CO 0.57 -1.47 0.68 -0.47 -1.51 0.00 0.00 177.10 174.90 3hii s TYR 725 N -2.00 3.12 -0.60 2.20 5.04 0.13 -4.92 117.35 120.32 3hii s TYR 725 Ca 0.71 0.34 -0.22 0.00 -2.44 0.00 0.00 57.07 55.46 3hii s TYR 725 Cb -0.23 -3.25 0.07 0.00 0.35 0.00 0.00 41.96 38.90 3hii s TYR 725 CO 0.34 -0.70 0.86 0.08 -1.34 0.00 0.00 175.55 174.79 3hii s VAL 726 N 2.84 4.52 -0.18 3.14 1.01 -1.26 -1.11 120.40 129.36 3hii s VAL 726 Ca 0.26 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 3hii s VAL 726 Cb -0.14 -4.56 -0.00 0.00 0.00 0.00 0.00 36.38 31.68 3hii s VAL 726 CO 0.16 -1.22 0.99 -1.58 0.00 0.00 0.00 175.10 173.46 3hii s GLN 727 N 3.56 4.32 0.19 2.72 0.74 0.14 -4.96 119.66 126.36 3hii s GLN 727 Ca 0.21 1.31 0.08 0.00 0.05 0.00 0.00 55.36 57.01 3hii s GLN 727 Cb -0.18 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 3hii s GLN 727 CO 0.12 -0.48 -0.16 1.03 -0.55 0.00 0.00 175.29 175.25 3hii s ARG 728 N 2.64 1.30 0.00 1.67 0.52 -1.26 -2.03 118.95 121.79 3hii s ARG 728 Ca 0.44 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 3hii s ARG 728 Cb -0.16 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.12 3hii s ARG 728 CO 0.11 0.21 0.47 0.91 0.02 0.00 0.00 175.30 177.02 3hii n TRP 729 N -0.13 0.00 -4.00 -0.53 8.01 -1.25 -4.99 117.44 114.54 3hii n TRP 729 Ca -0.10 -0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.93 3hii n TRP 729 Cb 0.59 -0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.74 3hii n TRP 729 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3hii s ILE 730 N -0.01 0.22 0.65 -0.99 1.01 -1.23 -4.95 121.20 115.91 3hii s ILE 730 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 3hii s ILE 730 Cb 0.00 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 3hii s ILE 730 CO 0.00 0.10 1.25 -2.16 0.00 0.00 0.00 174.94 174.13 3hii s PRO 731 N 0.36 2.57 0.29 2.79 0.04 -1.26 -4.91 135.00 134.87 3hii s PRO 731 Ca -0.03 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 3hii s PRO 731 Cb -0.06 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 3hii s PRO 731 CO -0.01 -1.55 1.54 -1.91 0.04 0.00 0.00 177.00 175.12 3hii n GLU 732 N -2.01 2.54 -4.23 4.56 2.13 -1.26 -4.99 120.64 117.38 3hii n GLU 732 Ca 0.15 0.90 -0.34 0.00 0.66 0.00 0.00 57.16 58.53 3hii n GLU 732 Cb 0.49 -2.65 -0.12 0.00 0.27 0.00 0.00 31.44 29.43 3hii n GLU 732 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3hii s ASP 733 N 0.40 5.03 -0.02 4.31 2.15 -1.26 -4.94 116.67 122.35 3hii s ASP 733 Ca 0.64 -0.09 0.02 0.00 0.43 0.00 0.00 52.55 53.56 3hii s ASP 733 Cb -0.53 -1.84 0.04 0.00 -0.30 0.00 0.00 42.92 40.28 3hii s ASP 733 CO 0.50 0.15 0.83 0.54 -0.17 0.00 0.00 175.17 177.01 3hii n ARG 734 N 3.68 1.27 -0.77 4.34 1.74 -1.26 -5.11 116.66 120.54 3hii n ARG 734 Ca -0.17 -1.19 -0.32 0.00 -0.77 0.00 0.00 57.85 55.40 3hii n ARG 734 Cb 0.52 -0.81 0.13 0.00 -1.02 0.00 0.00 32.46 31.29 3hii n ARG 734 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hii n ASP 735 N -0.36 -1.28 -4.23 0.55 9.92 -1.26 -5.04 116.55 114.85 3hii n ASP 735 Ca 0.02 0.37 -0.20 0.00 -0.53 0.00 0.00 54.79 54.44 3hii n ASP 735 Cb 0.45 -1.30 -0.12 0.00 -0.64 0.00 0.00 41.12 39.51 3hii n ASP 735 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hii s SER 737 N -1.99 0.06 0.01 0.00 1.04 -1.26 -4.85 113.70 106.71 3hii s SER 737 Ca 0.04 -1.01 0.04 0.00 0.48 0.00 0.00 55.95 55.51 3hii s SER 737 Cb -0.09 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 3hii s SER 737 CO 0.03 -1.23 -0.13 -0.04 0.98 0.00 0.00 173.24 172.85 3hii s MET 738 N -3.70 0.97 0.64 4.02 -1.94 -1.26 -4.91 119.30 113.12 3hii s MET 738 Ca 0.22 -0.60 -0.11 0.00 -1.71 0.00 0.00 55.69 53.50 3hii s MET 738 Cb -0.02 -0.95 -0.02 0.00 2.01 0.00 0.00 34.83 35.85 3hii s MET 738 CO 0.11 0.25 1.04 -1.25 -0.01 0.00 0.00 175.02 175.16 3hii s PRO 739 N -0.71 3.39 0.76 2.03 0.04 -1.26 -5.04 135.00 134.22 3hii s PRO 739 Ca 0.03 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 3hii s PRO 739 Cb -0.06 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.48 3hii s PRO 739 CO 0.00 -0.73 1.15 -2.14 0.04 0.00 0.00 177.00 175.32 3hii s PRO 740 N -5.16 2.05 0.59 0.56 0.02 -1.26 -4.94 135.00 126.86 3hii s PRO 740 Ca 0.56 1.51 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 3hii s PRO 740 Cb -0.12 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3hii s PRO 740 CO 0.54 -1.85 1.03 -2.30 -0.33 0.00 0.00 177.00 174.10 3hii n PRO 741 N -3.16 1.02 -1.79 5.54 -0.02 -1.26 -4.91 135.00 130.42 3hii n PRO 741 Ca 0.12 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3hii n PRO 741 Cb 0.52 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 3hii n PRO 741 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3hii s PHE 742 N -1.47 2.81 0.10 6.00 5.36 -1.26 -5.03 117.98 124.49 3hii s PHE 742 Ca 0.75 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 57.45 3hii s PHE 742 Cb -0.42 -4.06 -0.04 0.00 -0.34 0.00 0.00 43.02 38.16 3hii s PHE 742 CO 0.47 -3.64 -0.06 -1.54 -1.46 0.00 0.00 175.22 169.00 3hii s SER 743 N 0.63 1.04 -0.21 6.13 1.04 -1.26 -5.16 113.70 115.91 3hii s SER 743 Ca 0.65 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 3hii s SER 743 Cb -0.47 0.11 0.07 0.00 0.10 0.00 0.00 66.02 65.82 3hii s SER 743 CO 0.44 -0.49 0.53 -0.47 0.98 0.00 0.00 173.24 174.23 3hii s TYR 744 N -3.67 -0.77 -0.19 5.02 5.04 -1.26 -4.64 117.35 116.88 3hii s TYR 744 Ca 0.12 1.61 -0.15 0.00 -2.44 0.00 0.00 57.07 56.21 3hii s TYR 744 Cb 0.06 0.39 -0.08 0.00 0.35 0.00 0.00 41.96 42.68 3hii s TYR 744 CO -0.05 -0.40 -0.23 -1.71 -1.34 0.00 0.00 175.55 171.82 3hii n ASN 745 N 4.05 1.89 0.00 4.32 2.85 -1.26 -5.02 115.26 122.10 3hii n ASN 745 Ca -0.21 0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 3hii n ASN 745 Cb 0.57 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.77 3hii n ASN 745 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hii n GLY 746 N 1.47 1.83 3.72 8.20 0.00 -1.26 -5.03 105.19 114.12 3hii n GLY 746 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 3hii n GLY 746 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hii s THR 747 N -2.89 4.05 -0.17 2.61 -4.23 -1.26 -5.04 115.64 108.71 3hii s THR 747 Ca 0.00 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 3hii s THR 747 Cb 0.00 -3.06 0.08 0.00 1.34 0.00 0.00 72.50 70.86 3hii s THR 747 CO 0.00 -0.13 0.22 -0.72 -0.54 0.00 0.00 174.62 173.45 3hii s TYR 748 N -1.78 -0.29 0.11 3.99 -0.85 -1.26 -4.63 117.35 112.63 3hii s TYR 748 Ca 0.29 0.42 -0.07 0.00 -0.52 0.00 0.00 57.07 57.19 3hii s TYR 748 Cb -0.09 -0.29 -0.01 0.00 0.38 0.00 0.00 41.96 41.95 3hii s TYR 748 CO 0.21 -0.51 0.16 1.03 -1.52 0.00 0.00 175.55 174.92 3hii s ARG 749 N 2.34 0.89 0.72 -3.49 1.81 -1.11 -4.82 118.95 115.30 3hii s ARG 749 Ca 0.05 -1.10 -0.16 0.00 -1.72 0.00 0.00 55.73 52.80 3hii s ARG 749 Cb -0.15 0.32 0.03 0.00 -0.45 0.00 0.00 34.95 34.71 3hii s ARG 749 CO -0.11 -0.28 1.24 -2.14 -0.68 0.00 0.00 175.30 173.34 3hii s PRO 750 N -3.92 2.17 0.00 3.54 0.02 -1.25 -0.31 135.00 135.26 3hii s PRO 750 Ca 0.10 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3hii s PRO 750 Cb 0.05 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.75 3hii s PRO 750 CO -0.07 -1.85 0.30 0.28 -0.33 0.00 0.00 177.00 175.34