#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ial s PHE 39 N 0.00 3.26 -0.36 1.09 5.36 -1.26 -4.96 117.98 121.11 3ial s PHE 39 Ca 0.00 1.32 0.06 0.00 -0.96 0.00 0.00 56.93 57.35 3ial s PHE 39 Cb 0.00 -3.43 0.19 0.00 -0.34 0.00 0.00 43.02 39.44 3ial s PHE 39 CO 0.00 -0.59 0.65 0.45 -1.46 0.00 0.00 175.22 174.26 3ial s SER 40 N 1.40 -1.49 -0.20 6.13 0.15 -1.26 -4.82 113.70 113.62 3ial s SER 40 Ca 0.44 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.66 3ial s SER 40 Cb -0.14 1.90 0.10 0.00 -1.71 0.00 0.00 66.02 66.18 3ial s SER 40 CO 0.10 -0.21 0.36 -0.22 1.20 0.00 0.00 173.24 174.47 3ial s LEU 41 N 2.24 -0.54 0.26 3.45 2.96 -1.00 -5.07 118.68 120.98 3ial s LEU 41 Ca 0.14 0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 54.35 3ial s LEU 41 Cb -0.06 1.08 -0.10 0.00 0.50 0.00 0.00 46.19 47.61 3ial s LEU 41 CO -0.15 -0.26 1.46 -0.89 -1.32 0.00 0.00 176.35 175.19 3ial s THR 42 N 2.53 2.58 -0.50 3.68 2.01 -1.26 -3.94 115.64 120.74 3ial s THR 42 Ca 0.04 0.49 -0.19 0.00 0.31 0.00 0.00 61.69 62.34 3ial s THR 42 Cb -0.13 -3.31 0.06 0.00 0.01 0.00 0.00 72.50 69.13 3ial s THR 42 CO -0.13 0.08 0.59 -0.75 -0.69 0.00 0.00 174.62 173.72 3ial s LYS 43 N -0.45 3.10 0.40 4.92 2.20 -1.26 -4.81 119.74 123.84 3ial s LYS 43 Ca 0.59 -0.95 0.04 0.00 -0.36 0.00 0.00 55.97 55.30 3ial s LYS 43 Cb -0.43 -4.10 -0.02 0.00 -1.51 0.00 0.00 37.83 31.77 3ial s LYS 43 CO 0.44 -1.18 0.16 0.95 -0.36 0.00 0.00 175.35 175.36 3ial s THR 44 N 2.47 0.46 0.20 3.43 -4.23 -1.26 -4.96 115.64 111.74 3ial s THR 44 Ca 0.13 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.53 3ial s THR 44 Cb -0.20 -2.36 0.12 0.00 1.34 0.00 0.00 72.50 71.40 3ial s THR 44 CO 0.11 0.00 1.74 -0.09 -0.54 0.00 0.00 174.62 175.84 3ial h ARG 45 N 1.84 0.33 -0.04 3.99 2.43 -1.88 0.91 114.38 121.96 3ial h ARG 45 Ca -0.33 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.69 3ial h ARG 45 Cb 1.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3ial h ARG 45 CO 0.52 0.22 -0.56 -0.44 -1.51 0.00 0.00 179.97 178.20 3ial h ASP 46 N 0.34 0.12 0.00 -3.80 5.19 -1.91 -3.34 116.42 113.03 3ial h ASP 46 Ca 0.27 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3ial h ASP 46 Cb 0.34 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3ial h ASP 46 CO -0.30 0.66 -1.39 0.35 -3.12 0.00 0.00 179.24 175.44 3ial n THR 47 N -3.89 0.00 -0.16 0.35 -2.24 -1.00 -4.72 114.28 102.63 3ial n THR 47 Ca -0.02 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 3ial n THR 47 Cb 0.58 0.59 0.05 0.00 -2.10 0.00 0.00 70.33 69.44 3ial n THR 47 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3ial h PHE 48 N 0.00 -0.12 -0.68 4.78 3.57 -0.94 0.10 116.94 123.65 3ial h PHE 48 Ca 0.00 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3ial h PHE 48 Cb 0.69 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 3ial h PHE 48 CO 0.00 -0.15 0.28 0.00 -2.23 0.00 0.00 178.31 176.21 3ial h ALA 49 N 1.46 0.91 -0.23 2.41 0.00 -1.85 0.26 119.26 122.22 3ial h ALA 49 Ca 0.25 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 3ial h ALA 49 Cb 0.38 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ial h ALA 49 CO -0.45 -0.15 -0.55 -0.44 0.00 0.00 0.00 179.25 177.66 3ial h ASP 50 N 0.48 0.78 -0.28 0.00 3.32 -1.62 -2.86 116.42 116.23 3ial h ASP 50 Ca 0.35 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.99 3ial h ASP 50 Cb 0.43 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3ial h ASP 50 CO -0.32 1.17 0.17 -0.25 -1.72 0.00 0.00 179.24 178.29 3ial h TRP 51 N 0.54 0.32 0.19 4.55 7.01 -0.11 -1.89 115.95 126.56 3ial h TRP 51 Ca 0.01 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 3ial h TRP 51 Cb 1.12 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 28.08 3ial h TRP 51 CO 0.06 0.19 -0.09 0.35 -2.79 0.00 0.00 178.44 176.16 3ial h PHE 52 N 0.35 -0.24 -0.58 2.65 3.57 -0.54 0.16 116.94 122.32 3ial h PHE 52 Ca 0.11 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3ial h PHE 52 Cb -0.01 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3ial h PHE 52 CO -0.07 -0.13 0.34 -0.44 -2.23 0.00 0.00 178.31 175.78 3ial h ASP 53 N -0.28 0.54 -0.31 0.41 3.32 -1.47 -1.19 116.42 117.45 3ial h ASP 53 Ca -0.03 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3ial h ASP 53 Cb 0.21 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3ial h ASP 53 CO 0.04 0.38 -0.06 0.00 -1.72 0.00 0.00 179.24 177.88 3ial h ALA 54 N 1.27 0.42 -0.34 3.45 0.00 -1.19 -3.01 119.26 119.86 3ial h ALA 54 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ial h ALA 54 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ial h ALA 54 CO -0.11 0.23 -0.04 0.97 0.00 0.00 0.00 179.25 180.29 3ial h ILE 55 N 0.36 1.21 -0.64 0.00 6.09 -0.79 0.18 117.51 123.91 3ial h ILE 55 Ca 0.08 -0.89 0.09 0.00 -1.37 0.00 0.00 64.86 62.77 3ial h ILE 55 Cb 0.54 1.01 -0.07 0.00 0.47 0.00 0.00 36.82 38.77 3ial h ILE 55 CO 0.03 0.30 0.30 0.24 -3.07 0.00 0.00 178.15 175.94 3ial h MET 56 N 0.51 0.51 0.04 2.19 2.86 -1.11 -1.54 114.93 118.39 3ial h MET 56 Ca 0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3ial h MET 56 Cb 0.40 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3ial h MET 56 CO 0.02 0.33 -0.02 -0.44 1.06 0.00 0.00 176.91 177.86 3ial h ASP 57 N 0.52 -0.04 -0.76 1.22 3.32 -1.33 -0.86 116.42 118.49 3ial h ASP 57 Ca 0.32 -0.59 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3ial h ASP 57 Cb 0.33 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3ial h ASP 57 CO -0.26 0.71 0.47 0.00 -1.72 0.00 0.00 179.24 178.44 3ial h ALA 58 N -0.28 1.40 -0.03 3.45 0.00 -0.63 0.38 119.26 123.56 3ial h ALA 58 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ial h ALA 58 Cb 0.63 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ial h ALA 58 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3ial n ALA 59 N -2.42 2.61 -3.64 0.00 0.00 -0.58 -4.94 120.51 111.53 3ial n ALA 59 Ca 0.08 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 3ial n ALA 59 Cb 0.05 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.26 3ial n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ial n GLU 60 N -0.28 -5.29 -0.03 0.00 1.02 0.12 -4.81 120.64 111.38 3ial n GLU 60 Ca 0.20 0.67 -0.20 0.00 -0.02 0.00 0.00 57.16 57.81 3ial n GLU 60 Cb 0.25 -5.33 -0.13 0.00 -0.02 0.00 0.00 31.44 26.20 3ial n GLU 60 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ial h LEU 61 N -1.87 0.24 -8.58 -4.62 3.38 -1.39 -3.36 115.31 99.11 3ial h LEU 61 Ca -0.61 -0.81 -0.25 0.00 0.09 0.00 0.00 57.88 56.31 3ial h LEU 61 Cb 1.35 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.88 3ial h LEU 61 CO 0.55 1.48 -0.65 0.68 0.09 0.00 0.00 178.44 180.59 3ial s VAL 62 N -2.41 0.43 -0.18 1.22 -7.23 -1.21 -1.73 120.40 109.29 3ial s VAL 62 Ca -0.21 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.00 3ial s VAL 62 Cb 0.03 -2.13 0.05 0.00 0.56 0.00 0.00 36.38 34.90 3ial s VAL 62 CO 0.72 -0.44 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.42 3ial s ASP 63 N -3.13 2.93 0.00 4.85 -1.08 0.18 -4.63 116.67 115.79 3ial s ASP 63 Ca 0.25 -0.74 0.29 0.00 -0.52 0.00 0.00 52.55 51.83 3ial s ASP 63 Cb 0.07 -0.87 1.23 0.00 -1.46 0.00 0.00 42.92 41.89 3ial s ASP 63 CO 0.04 -0.22 1.87 -2.11 0.52 0.00 0.00 175.17 175.27 3ial n ARG 64 N 4.89 0.54 0.00 4.34 1.85 -1.26 -1.59 116.66 125.42 3ial n ARG 64 Ca -0.11 -0.16 0.08 0.00 -1.00 0.00 0.00 57.85 56.67 3ial n ARG 64 Cb 0.47 -1.50 0.49 0.00 -1.05 0.00 0.00 32.46 30.87 3ial n ARG 64 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ial n ARG 65 N -1.09 0.93 -1.96 2.89 1.74 -1.26 -4.77 116.66 113.14 3ial n ARG 65 Ca 0.13 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 3ial n ARG 65 Cb 0.28 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3ial n ARG 65 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3ial s TYR 66 N -2.00 2.65 0.00 -1.55 5.04 -1.26 -4.88 117.35 115.35 3ial s TYR 66 Ca 0.25 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 3ial s TYR 66 Cb 0.11 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.50 3ial s TYR 66 CO 0.19 -3.60 1.26 -0.35 -1.34 0.00 0.00 175.55 171.71 3ial n PRO 67 N 5.10 0.78 -3.95 4.97 -0.04 -1.26 -4.53 135.00 136.07 3ial n PRO 67 Ca 0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.32 3ial n PRO 67 Cb 0.40 -1.11 -0.16 0.00 -0.04 0.00 0.00 33.50 32.59 3ial n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ial s VAL 68 N 0.35 1.39 0.11 0.52 1.01 -1.26 -5.10 120.40 117.41 3ial s VAL 68 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 61.98 60.81 3ial s VAL 68 Cb 0.00 -1.50 -0.16 0.00 0.00 0.00 0.00 36.38 34.72 3ial s VAL 68 CO 0.00 0.16 1.42 1.17 0.00 0.00 0.00 175.10 177.85 3ial n LYS 69 N 4.78 1.48 -1.00 2.72 4.81 -1.26 -1.28 118.16 128.40 3ial n LYS 69 Ca -0.13 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3ial n LYS 69 Cb 0.47 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.30 3ial n LYS 69 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ial n GLY 70 N 2.82 0.30 3.12 3.14 0.00 -1.26 -4.67 105.19 108.64 3ial n GLY 70 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3ial n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ial s VAL 72 N 1.13 4.15 0.07 0.00 -7.23 -1.26 -4.59 120.40 112.66 3ial s VAL 72 Ca 0.05 -0.44 -0.31 0.00 -1.81 0.00 0.00 61.98 59.47 3ial s VAL 72 Cb -0.21 -2.79 -0.06 0.00 0.56 0.00 0.00 36.38 33.88 3ial s VAL 72 CO -0.04 0.50 1.25 -0.69 -0.31 0.00 0.00 175.10 175.81 3ial s VAL 73 N -0.97 3.86 -0.50 1.32 1.01 -0.62 -4.88 120.40 119.62 3ial s VAL 73 Ca 0.16 1.33 -0.26 0.00 0.00 0.00 0.00 61.98 63.21 3ial s VAL 73 Cb -0.11 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3ial s VAL 73 CO 0.06 0.10 0.99 -0.36 0.00 0.00 0.00 175.10 175.89 3ial s PHE 74 N 1.17 2.84 0.70 5.22 0.08 -1.26 -0.65 117.98 126.08 3ial s PHE 74 Ca 0.60 0.35 -0.11 0.00 0.12 0.00 0.00 56.93 57.89 3ial s PHE 74 Cb -0.31 -4.13 0.01 0.00 -0.57 0.00 0.00 43.02 38.02 3ial s PHE 74 CO 0.29 -1.24 1.08 1.03 -0.10 0.00 0.00 175.22 176.28 3ial s ARG 75 N 4.04 2.88 0.19 0.44 0.52 -0.71 -4.67 118.95 121.65 3ial s ARG 75 Ca 0.38 0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 56.03 3ial s ARG 75 Cb -0.10 -2.01 0.17 0.00 0.52 0.00 0.00 34.95 33.53 3ial s ARG 75 CO 0.26 -1.05 1.64 -1.35 0.02 0.00 0.00 175.30 174.81 3ial h PRO 76 N -0.67 -0.02 -0.61 3.54 0.11 -1.85 0.19 132.00 132.69 3ial h PRO 76 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3ial h PRO 76 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3ial h PRO 76 CO 0.62 -0.01 0.28 -0.92 -0.21 0.00 0.00 178.00 177.75 3ial h TYR 77 N -0.02 0.90 -0.23 0.65 3.20 -1.88 -1.80 116.97 117.80 3ial h TYR 77 Ca 0.25 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3ial h TYR 77 Cb 0.41 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3ial h TYR 77 CO -0.46 0.70 -0.13 0.78 -1.64 0.00 0.00 178.16 177.41 3ial h GLY 78 N 0.85 0.54 1.75 1.82 0.00 -1.50 -3.30 103.07 103.22 3ial h GLY 78 Ca 0.21 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3ial h GLY 78 CO -0.02 0.45 -0.03 -2.75 0.00 0.00 0.00 176.54 174.18 3ial h PHE 79 N 0.20 0.33 -0.94 5.60 3.57 -0.42 -2.03 116.94 123.26 3ial h PHE 79 Ca 0.05 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3ial h PHE 79 Cb 0.64 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 3ial h PHE 79 CO 0.07 0.37 0.60 0.35 -2.23 0.00 0.00 178.31 177.47 3ial h PHE 80 N 0.31 1.05 -0.23 0.41 3.57 -1.40 -0.21 116.94 120.44 3ial h PHE 80 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3ial h PHE 80 Cb 0.27 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3ial h PHE 80 CO 0.01 0.49 -0.10 0.52 -2.23 0.00 0.00 178.31 176.99 3ial h MET 81 N 0.98 0.48 -0.27 1.11 2.86 -1.48 -1.61 114.93 117.00 3ial h MET 81 Ca 0.43 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 3ial h MET 81 Cb 0.35 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3ial h MET 81 CO -0.19 0.74 0.10 1.49 1.06 0.00 0.00 176.91 180.11 3ial h GLU 82 N 0.20 0.41 -0.73 1.72 4.57 -1.29 -1.53 114.58 117.93 3ial h GLU 82 Ca 0.05 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3ial h GLU 82 Cb 0.59 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3ial h GLU 82 CO 0.03 0.46 0.32 -0.97 -1.18 0.00 0.00 179.01 177.68 3ial h ASN 83 N 0.28 0.97 -0.57 1.04 -0.00 -1.06 -1.45 115.58 114.79 3ial h ASN 83 Ca 0.09 -0.12 -0.07 0.00 -0.00 0.00 0.00 56.30 56.20 3ial h ASN 83 Cb 0.21 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.26 3ial h ASN 83 CO -0.01 0.84 0.10 0.00 -0.00 0.00 0.00 177.43 178.36 3ial h ALA 84 N 1.31 0.75 -0.12 1.57 0.00 -1.02 0.16 119.26 121.90 3ial h ALA 84 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ial h ALA 84 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ial h ALA 84 CO -0.03 0.49 0.05 0.82 0.00 0.00 0.00 179.25 180.59 3ial h ILE 85 N 0.83 1.13 -0.22 0.00 2.04 -0.94 -1.90 117.51 118.44 3ial h ILE 85 Ca 0.17 -0.38 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 3ial h ILE 85 Cb 0.41 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3ial h ILE 85 CO 0.01 0.12 -0.47 0.24 0.00 0.00 0.00 178.15 178.05 3ial h MET 86 N 0.06 0.58 -0.76 2.37 2.86 -1.15 -1.54 114.93 117.35 3ial h MET 86 Ca 0.04 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3ial h MET 86 Cb 0.14 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 3ial h MET 86 CO -0.00 0.93 0.50 0.00 1.06 0.00 0.00 176.91 179.39 3ial h ARG 87 N 0.46 0.97 -0.40 1.72 3.08 -0.66 0.27 114.38 119.82 3ial h ARG 87 Ca 0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3ial h ARG 87 Cb 1.00 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3ial h ARG 87 CO 0.09 0.64 0.22 1.25 -1.07 0.00 0.00 179.97 181.10 3ial h LEU 88 N 1.00 0.51 -0.39 3.04 5.85 -0.99 -0.19 115.31 124.14 3ial h LEU 88 Ca 0.28 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3ial h LEU 88 Cb -0.09 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3ial h LEU 88 CO -0.07 0.46 0.11 0.00 -0.34 0.00 0.00 178.44 178.60 3ial h GLU 90 N 0.26 0.06 -0.66 0.00 5.08 -0.68 0.52 114.58 119.17 3ial h GLU 90 Ca 0.18 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 3ial h GLU 90 Cb 0.18 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3ial h GLU 90 CO -0.21 0.04 0.38 0.93 -1.00 0.00 0.00 179.01 179.16 3ial h GLU 91 N 0.06 0.71 -0.18 2.33 5.08 -0.75 -0.57 114.58 121.25 3ial h GLU 91 Ca 0.05 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 3ial h GLU 91 Cb 0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3ial h GLU 91 CO -0.07 0.47 -0.64 0.93 -1.00 0.00 0.00 179.01 178.70 3ial h GLU 92 N 0.73 0.65 -0.59 2.33 4.39 -0.77 -2.76 114.58 118.56 3ial h GLU 92 Ca 0.28 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 3ial h GLU 92 Cb 0.11 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3ial h GLU 92 CO -0.15 1.08 0.30 1.88 -1.16 0.00 0.00 179.01 180.96 3ial h TYR 93 N 0.48 0.84 -0.94 4.33 0.05 -0.69 -2.78 116.97 118.26 3ial h TYR 93 Ca -0.01 -0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.83 3ial h TYR 93 Cb 1.22 -0.26 -0.08 0.00 1.01 0.00 0.00 36.73 38.62 3ial h TYR 93 CO 0.06 0.63 0.58 0.00 -1.05 0.00 0.00 178.16 178.37 3ial h ALA 94 N 1.13 1.36 0.00 3.88 0.00 -0.99 -1.09 119.26 123.55 3ial h ALA 94 Ca 0.20 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3ial h ALA 94 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ial h ALA 94 CO -0.03 0.23 -0.25 0.87 0.00 0.00 0.00 179.25 180.08 3ial h LYS 95 N 0.97 0.00 -0.67 0.00 1.57 -1.21 -2.32 116.57 114.91 3ial h LYS 95 Ca 0.45 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.00 3ial h LYS 95 Cb 0.36 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.54 3ial h LYS 95 CO -0.24 0.25 0.24 1.33 -0.57 0.00 0.00 179.45 180.46 3ial n VAL 96 N -3.92 2.85 -1.78 0.50 0.24 -0.81 -4.95 118.33 110.46 3ial n VAL 96 Ca -0.02 -1.84 -0.06 0.00 -2.04 0.00 0.00 64.34 60.38 3ial n VAL 96 Cb 0.33 -0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 32.33 3ial n VAL 96 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ial n GLY 97 N -0.43 0.38 3.45 7.63 0.00 -0.87 -5.03 105.19 110.33 3ial n GLY 97 Ca 0.40 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 3ial n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ial s ILE 98 N -2.28 4.40 -0.04 -0.61 1.01 -0.48 -4.67 121.20 118.54 3ial s ILE 98 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 3ial s ILE 98 Cb 0.00 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3ial s ILE 98 CO 0.00 0.31 0.33 -0.44 0.00 0.00 0.00 174.94 175.14 3ial s SER 99 N 1.62 6.68 0.25 3.58 0.01 -0.29 -3.36 113.70 122.20 3ial s SER 99 Ca 0.06 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 57.84 3ial s SER 99 Cb -0.15 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 3ial s SER 99 CO 0.04 0.34 0.98 -1.58 0.41 0.00 0.00 173.24 173.43 3ial s GLN 100 N -0.99 4.81 0.33 12.44 0.74 -1.26 -1.48 119.66 134.25 3ial s GLN 100 Ca 0.21 1.57 0.06 0.00 0.05 0.00 0.00 55.36 57.24 3ial s GLN 100 Cb -0.15 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 3ial s GLN 100 CO 0.10 0.44 0.32 0.96 -0.55 0.00 0.00 175.29 176.57 3ial s ILE 101 N -1.17 0.00 -0.09 -2.34 -4.36 0.08 -4.88 121.20 108.43 3ial s ILE 101 Ca 0.42 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.85 3ial s ILE 101 Cb -0.27 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 40.95 3ial s ILE 101 CO 0.34 0.00 0.20 -0.22 0.24 0.00 0.00 174.94 175.50 3ial s LEU 102 N -3.35 0.30 0.28 0.37 2.96 -1.26 -4.31 118.68 113.67 3ial s LEU 102 Ca 0.39 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 3ial s LEU 102 Cb 0.02 0.51 -0.04 0.00 0.50 0.00 0.00 46.19 47.19 3ial s LEU 102 CO 0.26 -0.19 0.46 -0.36 -1.32 0.00 0.00 176.35 175.21 3ial s PHE 103 N 1.63 3.48 0.80 5.38 0.40 -1.26 -5.10 117.98 123.31 3ial s PHE 103 Ca -0.05 0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 56.41 3ial s PHE 103 Cb -0.11 -1.81 0.08 0.00 0.51 0.00 0.00 43.02 41.69 3ial s PHE 103 CO -0.07 0.27 1.21 -2.30 0.70 0.00 0.00 175.22 175.03 3ial n PRO 104 N -1.37 0.21 0.13 0.24 -0.02 -1.26 -4.95 135.00 127.97 3ial n PRO 104 Ca -0.06 0.15 -0.01 0.00 -2.02 0.00 0.00 63.50 61.56 3ial n PRO 104 Cb 0.56 -2.44 0.10 0.00 -0.02 0.00 0.00 33.50 31.70 3ial n PRO 104 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ial h THR 105 N -0.87 1.35 -3.14 3.45 2.02 -1.96 -3.45 112.91 110.30 3ial h THR 105 Ca -0.46 -2.38 -0.60 0.00 0.77 0.00 0.00 66.41 63.73 3ial h THR 105 Cb 1.30 2.33 -0.07 0.00 -1.74 0.00 0.00 68.15 69.97 3ial h THR 105 CO 0.46 0.65 -0.22 0.68 0.37 0.00 0.00 175.52 177.47 3ial s VAL 106 N -3.28 5.14 -0.14 3.16 -7.23 -1.26 -1.22 120.40 115.57 3ial s VAL 106 Ca 0.00 0.80 0.02 0.00 -1.81 0.00 0.00 61.98 60.99 3ial s VAL 106 Cb 0.11 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.34 3ial s VAL 106 CO 0.76 0.47 -0.21 -0.63 -0.31 0.00 0.00 175.10 175.18 3ial s ILE 107 N -0.31 2.16 0.44 -0.62 1.01 0.11 -4.93 121.20 119.07 3ial s ILE 107 Ca 0.23 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 3ial s ILE 107 Cb -0.15 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.37 3ial s ILE 107 CO 0.10 0.55 1.26 -2.16 0.00 0.00 0.00 174.94 174.69 3ial s PRO 108 N 0.75 3.78 0.31 2.79 0.04 -1.26 0.01 135.00 141.42 3ial s PRO 108 Ca -0.08 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.06 3ial s PRO 108 Cb -0.16 -2.57 0.72 0.00 0.04 0.00 0.00 34.50 32.53 3ial s PRO 108 CO -0.00 -0.61 1.81 1.49 0.04 0.00 0.00 177.00 179.72 3ial h GLU 109 N 2.30 0.78 -0.25 4.56 4.81 -1.64 -1.65 114.58 123.49 3ial h GLU 109 Ca -0.50 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 3ial h GLU 109 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3ial h GLU 109 CO 0.61 0.51 -0.09 0.66 -0.73 0.00 0.00 179.01 179.97 3ial h SER 110 N 0.80 0.38 0.21 1.04 4.64 -1.91 -2.27 113.55 116.45 3ial h SER 110 Ca 0.54 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.76 3ial h SER 110 Cb 0.79 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3ial h SER 110 CO -0.31 0.52 -0.10 -0.26 -0.87 0.00 0.00 176.83 175.80 3ial h PHE 111 N 0.38 -0.27 0.00 4.77 -1.00 -1.68 -3.27 116.94 115.88 3ial h PHE 111 Ca 0.08 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.80 3ial h PHE 111 Cb 0.40 0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3ial h PHE 111 CO 0.01 -0.06 -0.24 1.25 -1.61 0.00 0.00 178.31 177.66 3ial h LEU 112 N -0.43 0.00 -0.45 1.54 5.85 -1.25 -2.58 115.31 117.98 3ial h LEU 112 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3ial h LEU 112 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3ial h LEU 112 CO 0.05 0.24 -0.21 2.29 -0.34 0.00 0.00 178.44 180.47 3ial n LYS 113 N -4.04 0.84 -0.00 1.25 2.85 -0.89 -4.44 118.16 113.73 3ial n LYS 113 Ca -0.02 -0.45 -0.10 0.00 -1.05 0.00 0.00 58.31 56.68 3ial n LYS 113 Cb 0.31 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.15 3ial n LYS 113 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3ial h LYS 114 N 1.11 0.01 -5.07 -1.58 1.79 -1.51 -3.41 116.57 107.91 3ial h LYS 114 Ca 0.00 -0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 3ial h LYS 114 Cb 0.47 -0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.96 3ial h LYS 114 CO 0.00 0.00 -0.25 -2.00 -1.08 0.00 0.00 179.45 176.12 3ial s GLU 115 N -6.20 3.81 0.05 3.15 -6.30 -1.26 -5.00 118.70 106.95 3ial s GLU 115 Ca -0.13 -0.17 -0.33 0.00 -2.50 0.00 0.00 54.97 51.85 3ial s GLU 115 Cb 0.08 -3.73 -0.18 0.00 0.00 0.00 0.00 34.13 30.30 3ial s GLU 115 CO 0.67 -0.40 1.44 1.03 0.02 0.00 0.00 175.26 178.02 3ial h SER 116 N 8.32 -0.89 -0.16 -1.70 0.87 -1.94 -1.59 113.55 116.46 3ial h SER 116 Ca -0.31 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 3ial h SER 116 Cb 1.15 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.33 3ial h SER 116 CO 0.67 -0.58 -0.00 0.44 -0.53 0.00 0.00 176.83 176.83 3ial h ASP 117 N -1.16 0.37 -0.25 6.23 3.32 -1.94 -1.66 116.42 121.34 3ial h ASP 117 Ca -0.11 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 3ial h ASP 117 Cb 0.82 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3ial h ASP 117 CO 0.18 0.44 -0.04 -0.74 -1.72 0.00 0.00 179.24 177.36 3ial h HIS 118 N 0.39 0.51 -0.33 4.55 2.76 -1.71 -2.88 115.15 118.44 3ial h HIS 118 Ca 0.09 -0.10 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 3ial h HIS 118 Cb 0.27 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 3ial h HIS 118 CO 0.01 0.66 -0.45 0.97 -1.30 0.00 0.00 177.93 177.82 3ial h ILE 119 N 0.21 1.28 -0.28 6.26 6.09 -0.96 -2.80 117.51 127.31 3ial h ILE 119 Ca 0.07 -1.63 -0.00 0.00 -1.37 0.00 0.00 64.86 61.92 3ial h ILE 119 Cb 0.48 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.25 3ial h ILE 119 CO 0.02 0.54 0.16 0.11 -3.07 0.00 0.00 178.15 175.90 3ial h LYS 120 N 0.69 0.38 0.00 2.19 1.79 -1.38 0.45 116.57 120.69 3ial h LYS 120 Ca 0.04 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 3ial h LYS 120 Cb 1.03 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 3ial h LYS 120 CO 0.10 0.28 -0.32 0.78 -1.08 0.00 0.00 179.45 179.21 3ial h GLY 121 N 0.45 0.00 0.00 3.86 0.00 -1.27 -3.37 103.07 102.74 3ial h GLY 121 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3ial h GLY 121 CO -0.02 0.00 -0.47 0.69 0.00 0.00 0.00 176.54 176.74 3ial n PHE 122 N -3.80 0.00 0.12 5.60 3.72 -0.70 -4.81 117.46 117.58 3ial n PHE 122 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 3ial n PHE 122 Cb 0.41 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.62 3ial n PHE 122 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3ial h GLU 123 N 0.00 0.00 0.00 -1.08 4.11 -0.30 0.56 114.58 117.86 3ial h GLU 123 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ial h GLU 123 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ial h GLU 123 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 3ial h ALA 124 N 1.84 1.00 -0.00 1.06 0.00 -1.86 -3.19 119.26 118.11 3ial h ALA 124 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ial h ALA 124 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ial h ALA 124 CO -0.00 0.00 -0.21 0.39 0.00 0.00 0.00 179.25 179.43 3ial n GLU 125 N -3.10 0.31 -2.97 0.00 -0.58 0.19 -3.99 120.64 110.50 3ial n GLU 125 Ca 0.03 -0.12 -0.41 0.00 -0.42 0.00 0.00 57.16 56.24 3ial n GLU 125 Cb 0.45 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.77 3ial n GLU 125 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ial s PHE 127 N 2.03 3.64 -0.15 0.00 0.08 -1.26 -4.86 117.98 117.46 3ial s PHE 127 Ca 0.35 1.63 -0.01 0.00 0.12 0.00 0.00 56.93 59.02 3ial s PHE 127 Cb -0.16 -3.22 -0.01 0.00 -0.57 0.00 0.00 43.02 39.05 3ial s PHE 127 CO 0.12 -0.42 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.13 3ial s TRP 128 N -0.04 2.86 -0.19 0.36 0.52 -1.26 -1.67 118.94 119.53 3ial s TRP 128 Ca 0.50 -0.69 -0.19 0.00 0.02 0.00 0.00 56.10 55.73 3ial s TRP 128 Cb -0.27 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.11 3ial s TRP 128 CO 0.33 -0.27 0.56 0.08 0.02 0.00 0.00 176.95 177.67 3ial s VAL 129 N 0.58 5.08 0.00 4.03 1.01 0.11 -4.95 120.40 126.26 3ial s VAL 129 Ca -0.07 1.06 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3ial s VAL 129 Cb -0.15 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3ial s VAL 129 CO 0.03 0.17 0.00 -0.62 0.00 0.00 0.00 175.10 174.68 3ial n GLU 130 N 4.74 1.95 -4.21 2.72 1.02 -1.26 -1.74 120.64 123.86 3ial n GLU 130 Ca -0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.91 3ial n GLU 130 Cb 0.50 -0.82 -0.12 0.00 -0.02 0.00 0.00 31.44 30.98 3ial n GLU 130 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ial s LYS 131 N -1.53 0.92 -0.25 3.49 1.02 -1.26 -1.25 119.74 120.88 3ial s LYS 131 Ca 0.00 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 54.94 3ial s LYS 131 Cb 0.00 -0.94 0.06 0.00 -0.52 0.00 0.00 37.83 36.44 3ial s LYS 131 CO 0.00 0.20 -0.05 0.20 -0.92 0.00 0.00 175.35 174.78 3ial s GLY 132 N -1.97 1.41 0.00 -3.33 0.00 -0.30 -4.83 107.32 98.29 3ial s GLY 132 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.19 3ial s GLY 132 CO 0.03 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.63 3ial n GLY 133 N 4.59 1.36 0.00 0.20 0.00 -1.26 -3.04 105.19 107.05 3ial n GLY 133 Ca -0.11 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.45 3ial n GLY 133 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ial n LEU 134 N 0.00 0.46 -4.79 0.99 4.32 -1.26 -4.94 117.00 111.78 3ial n LEU 134 Ca 0.00 0.04 -0.36 0.00 -0.02 0.00 0.00 56.01 55.67 3ial n LEU 134 Cb 0.00 -0.27 -0.08 0.00 -1.62 0.00 0.00 43.42 41.45 3ial n LEU 134 CO 0.00 0.11 -0.23 0.00 -1.22 0.00 0.00 177.39 176.05 3ial s GLN 135 N -2.99 3.22 0.28 3.23 -2.07 -1.17 -5.08 119.66 115.07 3ial s GLN 135 Ca 0.11 -0.27 -0.29 0.00 -1.82 0.00 0.00 55.36 53.10 3ial s GLN 135 Cb 0.18 -3.00 -0.10 0.00 -1.09 0.00 0.00 33.01 29.00 3ial s GLN 135 CO 0.68 0.74 1.26 -2.14 -1.32 0.00 0.00 175.29 174.51 3ial s PRO 136 N -1.00 4.43 0.46 9.60 0.02 -1.26 -1.16 135.00 146.10 3ial s PRO 136 Ca 0.15 2.07 -0.23 0.00 0.02 0.00 0.00 61.00 63.00 3ial s PRO 136 Cb -0.12 -3.14 -0.07 0.00 0.02 0.00 0.00 34.50 31.19 3ial s PRO 136 CO 0.04 -0.11 1.17 -0.51 -0.33 0.00 0.00 177.00 177.26 3ial s LEU 137 N -1.18 4.01 0.24 -5.54 1.43 -0.38 -4.84 118.68 112.42 3ial s LEU 137 Ca 0.50 2.32 0.05 0.00 -1.03 0.00 0.00 54.13 55.97 3ial s LEU 137 Cb -0.37 -4.24 0.27 0.00 0.03 0.00 0.00 46.19 41.88 3ial s LEU 137 CO 0.45 -0.94 1.57 -0.08 0.23 0.00 0.00 176.35 177.59 3ial h GLU 138 N 2.03 0.24 -5.26 1.70 4.81 -1.95 -3.41 114.58 112.74 3ial h GLU 138 Ca -0.49 -0.16 -0.63 0.00 -0.13 0.00 0.00 59.36 57.95 3ial h GLU 138 Cb 1.25 0.02 -0.33 0.00 0.63 0.00 0.00 28.75 30.32 3ial h GLU 138 CO 0.60 0.76 -0.86 -2.00 -0.73 0.00 0.00 179.01 176.78 3ial s GLU 139 N -3.80 2.48 0.49 1.92 2.12 -1.26 -5.13 118.70 115.52 3ial s GLU 139 Ca -0.04 -0.74 -0.22 0.00 0.36 0.00 0.00 54.97 54.33 3ial s GLU 139 Cb 0.12 -1.97 -0.07 0.00 0.26 0.00 0.00 34.13 32.48 3ial s GLU 139 CO 0.80 0.19 1.16 1.03 -0.54 0.00 0.00 175.26 177.89 3ial s ARG 140 N 0.29 3.63 -0.13 4.30 0.52 -1.26 -4.90 118.95 121.39 3ial s ARG 140 Ca -0.13 1.74 0.02 0.00 -0.52 0.00 0.00 55.73 56.84 3ial s ARG 140 Cb -0.16 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3ial s ARG 140 CO 0.06 -0.65 -0.21 -0.51 0.02 0.00 0.00 175.30 174.01 3ial s LEU 141 N -3.26 2.20 0.06 2.53 1.43 -0.71 -1.58 118.68 119.35 3ial s LEU 141 Ca 0.66 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 3ial s LEU 141 Cb -0.27 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 3ial s LEU 141 CO 0.33 0.10 0.57 0.00 0.23 0.00 0.00 176.35 177.58 3ial s ALA 142 N 0.70 3.57 0.07 4.21 0.00 0.10 0.05 121.76 130.45 3ial s ALA 142 Ca -0.09 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 3ial s ALA 142 Cb -0.16 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 3ial s ALA 142 CO 0.01 0.35 1.27 -0.51 0.00 0.00 0.00 175.76 176.88 3ial s LEU 143 N -0.92 4.36 -0.15 0.00 1.43 -0.67 0.09 118.68 122.82 3ial s LEU 143 Ca 0.29 2.10 -0.36 0.00 -1.03 0.00 0.00 54.13 55.13 3ial s LEU 143 Cb -0.19 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.32 3ial s LEU 143 CO 0.19 -0.54 1.86 -2.11 0.23 0.00 0.00 176.35 175.97 3ial n ARG 144 N 4.09 1.88 0.17 1.70 1.85 -0.36 -4.48 116.66 121.51 3ial n ARG 144 Ca 0.10 0.69 0.12 0.00 -1.00 0.00 0.00 57.85 57.75 3ial n ARG 144 Cb 0.45 -2.50 0.10 0.00 -1.05 0.00 0.00 32.46 29.46 3ial n ARG 144 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3ial h PRO 145 N 8.79 0.00 -1.00 2.89 0.13 -1.91 0.16 132.00 141.05 3ial h PRO 145 Ca -0.48 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.96 3ial h PRO 145 Cb 1.29 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 3ial h PRO 145 CO 0.95 0.01 1.00 -0.08 -0.23 0.00 0.00 178.00 179.65 3ial s THR 146 N -3.27 0.00 -1.39 1.56 -1.32 -1.26 -4.51 115.64 105.44 3ial s THR 146 Ca 0.04 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.67 3ial s THR 146 Cb 0.07 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.47 3ial s THR 146 CO 0.72 0.00 1.33 -1.20 -2.21 0.00 0.00 174.62 173.26 3ial n SER 147 N 0.20 3.24 -0.21 8.08 7.64 -1.26 -4.66 113.62 126.65 3ial n SER 147 Ca 0.04 -1.97 -0.03 0.00 1.01 0.00 0.00 58.87 57.92 3ial n SER 147 Cb 0.57 -0.30 0.03 0.00 -1.01 0.00 0.00 64.21 63.50 3ial n SER 147 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3ial h GLU 148 N 2.93 -0.11 -0.48 1.43 3.07 -1.99 -0.23 114.58 119.21 3ial h GLU 148 Ca 0.00 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 3ial h GLU 148 Cb 0.82 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3ial h GLU 148 CO 0.00 -0.07 0.05 1.79 -1.40 0.00 0.00 179.01 179.38 3ial h THR 149 N -0.11 1.23 -0.04 1.13 1.35 -1.90 0.30 112.91 114.87 3ial h THR 149 Ca 0.27 -0.89 -0.08 0.00 -0.55 0.00 0.00 66.41 65.16 3ial h THR 149 Cb 0.54 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3ial h THR 149 CO -0.69 0.32 -0.29 0.00 -0.25 0.00 0.00 175.52 174.61 3ial h ALA 150 N 1.34 0.09 -0.40 6.62 0.00 -1.76 -2.92 119.26 122.22 3ial h ALA 150 Ca 0.15 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3ial h ALA 150 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ial h ALA 150 CO 0.01 0.14 -0.13 0.82 0.00 0.00 0.00 179.25 180.09 3ial h ILE 151 N -0.29 1.28 0.00 0.00 2.04 -0.78 -2.91 117.51 116.84 3ial h ILE 151 Ca -0.03 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.49 3ial h ILE 151 Cb 0.97 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3ial h ILE 151 CO 0.06 0.42 -0.50 1.88 0.00 0.00 0.00 178.15 180.00 3ial h TYR 152 N 0.61 0.00 -0.73 1.37 0.05 -1.06 0.13 116.97 117.33 3ial h TYR 152 Ca 0.10 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.89 3ial h TYR 152 Cb 0.67 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 3ial h TYR 152 CO 0.05 0.50 0.49 0.77 -1.05 0.00 0.00 178.16 178.92 3ial h SER 153 N 0.00 0.84 0.38 3.88 0.02 -1.46 -1.84 113.55 115.37 3ial h SER 153 Ca -0.01 -0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 60.65 3ial h SER 153 Cb 1.10 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.44 3ial h SER 153 CO 0.07 0.61 -1.19 0.24 -1.14 0.00 0.00 176.83 175.41 3ial h MET 154 N 0.99 0.43 -0.86 3.45 2.86 -1.15 -3.25 114.93 117.41 3ial h MET 154 Ca 0.27 -0.61 0.16 0.00 -2.06 0.00 0.00 59.70 57.46 3ial h MET 154 Cb -0.11 0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 3ial h MET 154 CO -0.06 1.26 0.56 0.74 1.06 0.00 0.00 176.91 180.47 3ial h PHE 155 N 0.18 0.67 -0.69 -0.22 -1.00 -0.53 -0.53 116.94 114.82 3ial h PHE 155 Ca -0.15 0.02 0.11 0.00 2.81 0.00 0.00 57.97 60.76 3ial h PHE 155 Cb 1.87 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 41.18 3ial h PHE 155 CO 0.08 0.23 0.46 1.03 -1.61 0.00 0.00 178.31 178.51 3ial h SER 156 N 0.56 0.46 0.23 2.17 0.87 -1.37 0.10 113.55 116.57 3ial h SER 156 Ca 0.43 0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 60.66 3ial h SER 156 Cb 0.85 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3ial h SER 156 CO -0.18 0.27 -1.71 0.11 -0.53 0.00 0.00 176.83 174.78 3ial h LYS 157 N 0.50 0.39 0.00 2.24 1.57 -1.26 -3.38 116.57 116.63 3ial h LYS 157 Ca 0.32 -0.66 -0.05 0.00 -1.87 0.00 0.00 60.65 58.39 3ial h LYS 157 Cb 0.58 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3ial h LYS 157 CO -0.10 1.30 -0.24 -1.49 -0.57 0.00 0.00 179.45 178.35 3ial h TRP 158 N 0.11 0.00 -3.57 -1.35 6.55 -0.82 -3.42 115.95 113.44 3ial h TRP 158 Ca -0.33 0.00 -0.71 0.00 0.95 0.00 0.00 58.89 58.81 3ial h TRP 158 Cb 2.10 0.00 -0.28 0.00 -0.86 0.00 0.00 29.16 30.12 3ial h TRP 158 CO 0.10 0.24 -0.54 0.08 -1.05 0.00 0.00 178.44 177.27 3ial s VAL 159 N -3.32 4.07 0.00 1.49 1.01 0.32 -4.85 120.40 119.11 3ial s VAL 159 Ca 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3ial s VAL 159 Cb 0.08 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3ial s VAL 159 CO 0.67 -0.33 0.00 0.54 0.00 0.00 0.00 175.10 175.99 3ial n ARG 160 N 4.87 2.45 -4.22 2.72 5.12 -1.26 -4.41 116.66 121.94 3ial n ARG 160 Ca -0.11 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.67 3ial n ARG 160 Cb 0.44 -0.86 -0.10 0.00 -1.16 0.00 0.00 32.46 30.78 3ial n ARG 160 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3ial s SER 161 N -2.07 1.63 0.64 0.55 0.15 -1.26 -1.40 113.70 111.93 3ial s SER 161 Ca 0.00 -0.98 0.35 0.00 0.70 0.00 0.00 55.95 56.02 3ial s SER 161 Cb 0.00 0.01 1.98 0.00 -1.71 0.00 0.00 66.02 66.30 3ial s SER 161 CO 0.00 -0.35 2.19 0.10 1.20 0.00 0.00 173.24 176.38 3ial h TYR 162 N 2.92 0.00 0.00 3.44 -0.00 -1.56 -1.70 116.97 120.07 3ial h TYR 162 Ca -0.36 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.34 3ial h TYR 162 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.91 3ial h TYR 162 CO 0.63 0.00 -0.14 0.87 -0.00 0.00 0.00 178.16 179.52 3ial h LYS 163 N 0.00 0.00 -0.00 0.10 1.79 -1.95 -2.64 116.57 113.87 3ial h LYS 163 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3ial h LYS 163 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3ial h LYS 163 CO -0.00 0.14 -0.15 -0.25 -1.08 0.00 0.00 179.45 178.11 3ial n ASP 164 N -3.77 0.50 -4.59 0.86 8.00 -0.64 -4.89 116.55 112.02 3ial n ASP 164 Ca -0.02 -0.50 -0.30 0.00 0.71 0.00 0.00 54.79 54.68 3ial n ASP 164 Cb 0.25 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 3ial n ASP 164 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ial s LEU 165 N -2.56 3.10 0.59 0.64 1.43 -1.00 -3.99 118.68 116.89 3ial s LEU 165 Ca 0.26 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 3ial s LEU 165 Cb 0.20 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3ial s LEU 165 CO 0.50 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 176.20 3ial s PRO 166 N -2.19 3.20 -0.24 1.29 0.04 -1.26 -5.00 135.00 130.83 3ial s PRO 166 Ca 0.22 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.70 3ial s PRO 166 Cb -0.11 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.48 3ial s PRO 166 CO 0.14 -0.94 -0.09 -1.17 0.04 0.00 0.00 177.00 174.98 3ial s LEU 167 N -4.28 3.02 -0.17 -3.56 2.96 -0.91 -5.00 118.68 110.75 3ial s LEU 167 Ca 0.68 -1.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3ial s LEU 167 Cb -0.20 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.12 3ial s LEU 167 CO 0.33 -0.19 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.55 3ial s LYS 168 N 1.23 1.74 0.26 1.98 1.02 -1.26 -0.29 119.74 124.41 3ial s LYS 168 Ca -0.07 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.35 3ial s LYS 168 Cb -0.19 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 3ial s LYS 168 CO -0.06 -0.39 0.07 0.96 -0.92 0.00 0.00 175.35 175.01 3ial s ILE 169 N 1.55 0.75 0.13 2.17 -5.25 -0.62 -1.13 121.20 118.79 3ial s ILE 169 Ca 0.01 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 57.45 3ial s ILE 169 Cb -0.15 -2.59 0.06 0.00 2.95 0.00 0.00 42.46 42.73 3ial s ILE 169 CO -0.08 -0.08 0.56 -1.38 -1.79 0.00 0.00 174.94 172.17 3ial s HIS 170 N -3.62 -0.48 -0.02 1.37 -3.43 -0.55 -1.13 115.29 107.43 3ial s HIS 170 Ca 0.35 0.33 -0.06 0.00 -0.80 0.00 0.00 55.06 54.88 3ial s HIS 170 Cb 0.08 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 3ial s HIS 170 CO 0.13 -0.79 0.13 1.14 -2.00 0.00 0.00 174.74 173.35 3ial s GLN 171 N -3.44 0.34 -0.22 -0.38 -2.07 -0.27 -0.75 119.66 112.88 3ial s GLN 171 Ca -0.00 -0.16 -0.06 0.00 -1.82 0.00 0.00 55.36 53.31 3ial s GLN 171 Cb -0.00 0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 3ial s GLN 171 CO -0.10 -0.07 0.04 0.99 -1.32 0.00 0.00 175.29 174.83 3ial s THR 172 N -0.78 4.21 0.07 3.63 2.01 -1.26 -1.34 115.64 122.18 3ial s THR 172 Ca -0.09 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 3ial s THR 172 Cb -0.05 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.55 3ial s THR 172 CO 0.01 0.40 0.34 0.00 -0.69 0.00 0.00 174.62 174.67 3ial s THR 174 N -2.43 3.79 0.42 0.00 -4.23 -1.26 -0.33 115.64 111.60 3ial s THR 174 Ca 0.07 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 3ial s THR 174 Cb -0.01 -2.75 -0.07 0.00 1.34 0.00 0.00 72.50 71.01 3ial s THR 174 CO 0.02 0.21 0.05 0.27 -0.54 0.00 0.00 174.62 174.63 3ial s ILE 175 N -1.19 2.00 -0.06 2.99 -4.36 -0.13 -4.94 121.20 115.52 3ial s ILE 175 Ca 0.22 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 3ial s ILE 175 Cb -0.11 -2.93 0.02 0.00 1.25 0.00 0.00 42.46 40.69 3ial s ILE 175 CO 0.14 0.00 -0.06 -0.36 0.24 0.00 0.00 174.94 174.90 3ial s PHE 176 N -2.70 0.95 -0.25 1.37 0.08 0.56 -0.88 117.98 117.10 3ial s PHE 176 Ca 0.34 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 3ial s PHE 176 Cb 0.08 -0.83 0.08 0.00 -0.57 0.00 0.00 43.02 41.78 3ial s PHE 176 CO 0.18 -0.27 0.04 1.03 -0.10 0.00 0.00 175.22 176.10 3ial s ARG 177 N 1.13 0.92 0.14 0.44 1.81 0.30 -3.83 118.95 119.86 3ial s ARG 177 Ca -0.07 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 52.96 3ial s ARG 177 Cb -0.14 -2.21 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 3ial s ARG 177 CO -0.01 -0.78 1.54 1.25 -0.68 0.00 0.00 175.30 176.62 3ial h HIS 178 N 8.10 1.00 0.00 -0.53 -0.00 -0.78 -3.28 115.15 119.66 3ial h HIS 178 Ca -0.15 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 3ial h HIS 178 Cb 1.06 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 3ial h HIS 178 CO 0.37 1.00 0.00 -1.91 -0.00 0.00 0.00 177.93 177.39 3ial n GLU 179 N -4.24 0.23 -1.67 5.26 2.13 -1.26 -4.83 120.64 116.28 3ial n GLU 179 Ca -0.01 0.03 -0.50 0.00 0.66 0.00 0.00 57.16 57.34 3ial n GLU 179 Cb 0.40 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.56 3ial n GLU 179 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3ial n THR 180 N -1.37 0.26 -4.35 6.31 -1.04 -1.24 -4.95 114.28 107.91 3ial n THR 180 Ca 0.10 -0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.83 3ial n THR 180 Cb 0.26 -1.45 -0.08 0.00 -1.82 0.00 0.00 70.33 67.24 3ial n THR 180 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3ial s LYS 181 N 2.46 2.08 -0.68 -2.82 2.20 -1.26 -4.78 119.74 116.94 3ial s LYS 181 Ca 0.89 -1.58 -0.15 0.00 -0.36 0.00 0.00 55.97 54.76 3ial s LYS 181 Cb -0.82 -2.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.52 3ial s LYS 181 CO 0.50 0.31 0.63 0.09 -0.36 0.00 0.00 175.35 176.52 3ial n ASN 182 N -0.83 -5.24 -4.77 1.43 3.02 -1.26 -4.86 115.26 102.75 3ial n ASN 182 Ca -0.06 -0.61 -0.38 0.00 -0.03 0.00 0.00 54.58 53.50 3ial n ASN 182 Cb 0.60 -1.84 -0.04 0.00 -0.61 0.00 0.00 39.78 37.88 3ial n ASN 182 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ial s THR 183 N -2.41 3.58 -0.03 3.41 -4.23 -1.26 -4.89 115.64 109.82 3ial s THR 183 Ca 0.15 1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 62.06 3ial s THR 183 Cb -0.02 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 70.04 3ial s THR 183 CO 0.88 0.19 0.04 -0.75 -0.54 0.00 0.00 174.62 174.44 3ial s LYS 184 N -1.96 -0.05 0.19 3.99 2.20 -0.12 -4.98 119.74 119.01 3ial s LYS 184 Ca 0.51 0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 56.05 3ial s LYS 184 Cb -0.27 -0.32 -0.16 0.00 -1.51 0.00 0.00 37.83 35.57 3ial s LYS 184 CO 0.35 -0.22 1.05 -2.30 -0.36 0.00 0.00 175.35 173.87 3ial n PRO 185 N 4.51 1.01 0.00 4.03 -0.02 -1.26 -1.05 135.00 142.21 3ial n PRO 185 Ca -0.21 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3ial n PRO 185 Cb 0.50 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3ial n PRO 185 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ial n LEU 186 N 1.81 0.00 -0.11 2.45 4.77 -1.26 -4.57 117.00 120.08 3ial n LEU 186 Ca 0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.88 3ial n LEU 186 Cb 0.25 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 3ial n LEU 186 CO 0.60 0.00 -1.15 -0.38 -1.33 0.00 0.00 177.39 175.13 3ial n ILE 187 N 0.00 1.56 -3.45 -0.08 5.41 -0.91 -2.74 119.36 119.14 3ial n ILE 187 Ca 0.00 -0.39 -0.25 0.00 1.00 0.00 0.00 62.75 63.12 3ial n ILE 187 Cb 0.00 -1.79 -0.12 0.00 -0.71 0.00 0.00 39.64 37.03 3ial n ILE 187 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3ial s ARG 188 N -2.49 0.42 0.28 0.38 0.52 -0.21 -4.93 118.95 112.91 3ial s ARG 188 Ca -0.34 -0.78 0.06 0.00 -0.52 0.00 0.00 55.73 54.15 3ial s ARG 188 Cb 0.11 -1.03 -0.06 0.00 0.52 0.00 0.00 34.95 34.49 3ial s ARG 188 CO 0.57 -1.12 -0.04 0.14 0.02 0.00 0.00 175.30 174.88 3ial s VAL 189 N 1.68 1.50 -0.13 3.52 -7.23 -1.26 -0.94 120.40 117.54 3ial s VAL 189 Ca 0.14 -2.09 0.18 0.00 -1.81 0.00 0.00 61.98 58.39 3ial s VAL 189 Cb -0.18 -2.48 -0.20 0.00 0.56 0.00 0.00 36.38 34.08 3ial s VAL 189 CO -0.17 -0.27 0.56 0.54 -0.31 0.00 0.00 175.10 175.45 3ial n ARG 190 N -0.57 0.65 -4.00 4.82 1.74 0.16 -4.67 116.66 114.77 3ial n ARG 190 Ca -0.05 0.08 -0.35 0.00 -0.77 0.00 0.00 57.85 56.76 3ial n ARG 190 Cb 0.64 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 3ial n ARG 190 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3ial s GLU 191 N -2.93 3.33 -0.20 5.56 2.12 -1.13 -0.54 118.70 124.91 3ial s GLU 191 Ca -0.06 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.62 3ial s GLU 191 Cb 0.09 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.58 3ial s GLU 191 CO 0.84 -0.16 -0.16 0.42 -0.54 0.00 0.00 175.26 175.65 3ial s ILE 192 N 1.36 2.32 0.07 -3.70 1.01 -0.06 -4.81 121.20 117.38 3ial s ILE 192 Ca 0.04 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 3ial s ILE 192 Cb -0.14 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 3ial s ILE 192 CO -0.04 0.43 1.06 -2.28 0.00 0.00 0.00 174.94 174.12 3ial s HIS 193 N 1.30 3.61 0.33 3.97 5.65 -1.26 -0.95 115.29 127.94 3ial s HIS 193 Ca 0.03 1.59 -0.17 0.00 0.25 0.00 0.00 55.06 56.76 3ial s HIS 193 Cb -0.14 -3.22 0.03 0.00 -1.18 0.00 0.00 32.58 28.07 3ial s HIS 193 CO -0.10 -0.44 0.73 1.67 -0.65 0.00 0.00 174.74 175.95 3ial s TRP 194 N 0.60 0.04 -0.06 3.88 1.48 0.55 -2.32 118.94 123.12 3ial s TRP 194 Ca 0.52 -0.59 0.04 0.00 -1.06 0.00 0.00 56.10 55.01 3ial s TRP 194 Cb -0.25 0.71 -0.00 0.00 -1.16 0.00 0.00 33.47 32.76 3ial s TRP 194 CO 0.30 -1.38 -0.19 1.21 -4.06 0.00 0.00 176.95 172.83 3ial s ASN 195 N -3.01 2.37 -0.11 -2.66 3.84 0.24 -1.08 114.94 114.53 3ial s ASN 195 Ca 0.15 -0.40 0.02 0.00 0.21 0.00 0.00 52.86 52.84 3ial s ASN 195 Cb -0.05 -0.78 0.01 0.00 -0.55 0.00 0.00 41.25 39.89 3ial s ASN 195 CO 0.10 0.15 -0.16 -1.83 -2.79 0.00 0.00 177.10 172.57 3ial s GLU 196 N 0.13 2.31 -0.08 0.43 -1.05 -0.45 -1.92 118.70 118.08 3ial s GLU 196 Ca -0.07 -0.60 -0.03 0.00 -0.15 0.00 0.00 54.97 54.12 3ial s GLU 196 Cb -0.13 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.60 3ial s GLU 196 CO 0.04 -0.03 0.05 0.00 0.95 0.00 0.00 175.26 176.26 3ial s ALA 197 N 0.89 3.48 -0.03 -0.84 0.00 0.12 -1.11 121.76 124.27 3ial s ALA 197 Ca -0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3ial s ALA 197 Cb -0.15 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.38 3ial s ALA 197 CO -0.00 0.62 0.04 -1.01 0.00 0.00 0.00 175.76 175.40 3ial s HIS 198 N -0.98 0.10 0.03 0.00 3.76 -0.28 -1.18 115.29 116.74 3ial s HIS 198 Ca 0.16 0.15 0.05 0.00 -0.15 0.00 0.00 55.06 55.27 3ial s HIS 198 Cb -0.12 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 3ial s HIS 198 CO 0.05 -0.15 -0.16 0.00 -0.85 0.00 0.00 174.74 173.63 3ial s HIS 201 N 0.42 1.61 0.18 0.00 3.76 0.52 -2.14 115.29 119.64 3ial s HIS 201 Ca -0.10 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.36 3ial s HIS 201 Cb -0.16 -0.97 0.06 0.00 1.11 0.00 0.00 32.58 32.63 3ial s HIS 201 CO 0.05 0.06 1.64 0.00 -0.85 0.00 0.00 174.74 175.63 3ial h ALA 202 N 5.01 0.81 -2.27 -1.40 0.00 -1.95 0.08 119.26 119.55 3ial h ALA 202 Ca -0.40 -0.32 -0.31 0.00 0.00 0.00 0.00 54.91 53.88 3ial h ALA 202 Cb 1.16 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.59 3ial h ALA 202 CO 0.45 0.66 -0.66 0.95 0.00 0.00 0.00 179.25 180.65 3ial s THR 203 N -5.01 0.75 0.23 0.00 -4.23 -1.26 -4.60 115.64 101.51 3ial s THR 203 Ca -0.12 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.33 3ial s THR 203 Cb 0.13 -2.17 0.18 0.00 1.34 0.00 0.00 72.50 71.98 3ial s THR 203 CO 0.86 -0.44 1.81 0.00 -0.54 0.00 0.00 174.62 176.31 3ial h ALA 204 N 2.65 1.02 -0.75 3.99 0.00 -1.97 -2.38 119.26 121.81 3ial h ALA 204 Ca -0.37 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ial h ALA 204 Cb 1.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3ial h ALA 204 CO 0.63 0.08 0.41 0.93 0.00 0.00 0.00 179.25 181.30 3ial h GLU 205 N 0.74 1.05 -0.70 0.00 5.08 -1.99 -1.40 114.58 117.35 3ial h GLU 205 Ca 0.34 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3ial h GLU 205 Cb 0.26 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3ial h GLU 205 CO -0.21 0.78 0.27 -0.44 -1.00 0.00 0.00 179.01 178.41 3ial h ASP 206 N 1.04 0.96 0.03 1.42 3.32 -1.87 -1.18 116.42 120.13 3ial h ASP 206 Ca 0.26 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3ial h ASP 206 Cb 0.03 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3ial h ASP 206 CO -0.04 0.86 -0.01 0.00 -1.72 0.00 0.00 179.24 178.32 3ial h ALA 207 N 1.28 -0.04 -0.63 3.45 0.00 -0.90 -0.67 119.26 121.75 3ial h ALA 207 Ca 0.24 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ial h ALA 207 Cb 0.21 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3ial h ALA 207 CO -0.02 -0.49 0.39 0.28 0.00 0.00 0.00 179.25 179.41 3ial h VAL 208 N -0.10 1.08 -0.42 0.00 2.07 -1.16 -2.26 116.25 115.46 3ial h VAL 208 Ca -0.00 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3ial h VAL 208 Cb 0.09 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3ial h VAL 208 CO 0.01 0.14 0.16 -1.28 0.02 0.00 0.00 177.57 176.61 3ial h SER 209 N 0.77 0.54 -0.82 0.57 0.87 -1.02 -2.74 113.55 111.71 3ial h SER 209 Ca 0.25 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3ial h SER 209 Cb 0.01 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3ial h SER 209 CO -0.10 0.50 0.47 -0.61 -0.53 0.00 0.00 176.83 176.56 3ial h GLN 210 N 0.60 1.14 -0.84 2.24 5.75 -0.51 -2.58 115.11 120.91 3ial h GLN 210 Ca 0.15 -0.12 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 3ial h GLN 210 Cb 0.14 -0.23 -0.07 0.00 1.07 0.00 0.00 27.48 28.39 3ial h GLN 210 CO -0.01 0.82 0.50 -0.07 -2.65 0.00 0.00 178.83 177.42 3ial h LEU 211 N 1.15 0.75 -0.80 -2.39 4.07 -1.31 -0.51 115.31 116.27 3ial h LEU 211 Ca 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.27 3ial h LEU 211 Cb -0.00 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.59 3ial h LEU 211 CO -0.05 0.45 0.41 0.28 -1.08 0.00 0.00 178.44 178.45 3ial h SER 212 N 0.87 1.02 -0.77 -0.43 0.02 -1.51 -0.71 113.55 112.04 3ial h SER 212 Ca 0.39 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3ial h SER 212 Cb 0.28 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3ial h SER 212 CO -0.21 0.85 0.51 0.44 -1.14 0.00 0.00 176.83 177.28 3ial h ASP 213 N 1.12 0.89 -0.27 3.07 3.32 -0.97 0.30 116.42 123.87 3ial h ASP 213 Ca 0.28 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3ial h ASP 213 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3ial h ASP 213 CO -0.04 0.65 0.15 1.88 -1.72 0.00 0.00 179.24 180.15 3ial h TYR 214 N 1.05 0.38 -0.55 4.55 0.05 -0.74 -2.81 116.97 118.90 3ial h TYR 214 Ca 0.28 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 3ial h TYR 214 Cb -0.12 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3ial h TYR 214 CO -0.02 0.32 0.30 -1.49 -1.05 0.00 0.00 178.16 176.22 3ial h TRP 215 N 0.33 0.73 -0.85 4.88 4.06 -0.69 -1.67 115.95 122.74 3ial h TRP 215 Ca 0.10 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.12 3ial h TRP 215 Cb 0.07 -0.24 -0.07 0.00 -1.00 0.00 0.00 29.16 27.92 3ial h TRP 215 CO -0.03 0.51 0.51 0.87 -3.56 0.00 0.00 178.44 176.74 3ial h LYS 216 N 0.76 0.86 -0.29 0.49 6.56 -0.70 -1.34 116.57 122.91 3ial h LYS 216 Ca 0.20 -0.05 -0.18 0.00 -1.06 0.00 0.00 60.65 59.55 3ial h LYS 216 Cb 0.02 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.48 3ial h LYS 216 CO -0.03 0.57 -0.53 0.28 -2.06 0.00 0.00 179.45 177.67 3ial h VAL 217 N 0.89 1.28 -0.43 0.50 2.07 -1.12 -2.37 116.25 117.06 3ial h VAL 217 Ca 0.39 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 66.21 3ial h VAL 217 Cb 0.28 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3ial h VAL 217 CO -0.21 0.56 0.25 0.40 0.02 0.00 0.00 177.57 178.59 3ial h ILE 218 N 0.65 1.04 -0.69 4.57 1.08 -1.12 -1.20 117.51 121.84 3ial h ILE 218 Ca 0.02 -0.17 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 3ial h ILE 218 Cb 1.13 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 3ial h ILE 218 CO 0.12 0.09 0.26 0.44 -0.69 0.00 0.00 178.15 178.37 3ial h ASP 219 N 0.51 0.97 -0.37 1.72 3.32 -1.17 0.23 116.42 121.64 3ial h ASP 219 Ca 0.17 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3ial h ASP 219 Cb 0.02 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3ial h ASP 219 CO -0.08 0.89 0.19 0.74 -1.72 0.00 0.00 179.24 179.25 3ial h THR 220 N 0.99 0.99 0.23 0.35 2.02 -1.26 -0.93 112.91 115.30 3ial h THR 220 Ca 0.23 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3ial h THR 220 Cb 0.23 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3ial h THR 220 CO -0.02 0.07 -0.11 0.40 0.37 0.00 0.00 175.52 176.24 3ial h ILE 221 N 0.39 0.75 -0.02 3.11 2.04 -0.83 -1.86 117.51 121.08 3ial h ILE 221 Ca 0.15 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3ial h ILE 221 Cb 0.05 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3ial h ILE 221 CO -0.10 0.17 -0.02 -0.26 0.00 0.00 0.00 178.15 177.94 3ial h PHE 222 N -0.84 0.07 0.00 1.37 -1.00 -0.60 -1.06 116.94 114.88 3ial h PHE 222 Ca -0.03 -0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.58 3ial h PHE 222 Cb 0.51 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 3ial h PHE 222 CO 0.06 0.51 -1.33 0.43 -1.61 0.00 0.00 178.31 176.37 3ial n SER 223 N -4.82 1.91 -0.25 2.17 7.64 -0.40 -1.30 113.62 118.57 3ial n SER 223 Ca -0.08 0.40 -0.04 0.00 1.01 0.00 0.00 58.87 60.17 3ial n SER 223 Cb 0.26 -0.81 0.13 0.00 -1.01 0.00 0.00 64.21 62.78 3ial n SER 223 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ial h ASP 224 N -1.00 1.00 0.00 6.43 3.32 -1.38 -2.36 116.42 122.42 3ial h ASP 224 Ca -0.22 -0.12 -0.41 0.00 0.02 0.00 0.00 57.03 56.29 3ial h ASP 224 Cb 1.10 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.33 3ial h ASP 224 CO -0.13 0.86 -2.41 -0.62 -1.72 0.00 0.00 179.24 175.22 3ial n GLU 225 N -4.31 0.55 -0.06 3.56 -0.58 -0.71 -4.59 120.64 114.50 3ial n GLU 225 Ca 0.07 0.22 0.12 0.00 -0.42 0.00 0.00 57.16 57.15 3ial n GLU 225 Cb 0.15 -1.42 0.34 0.00 -0.57 0.00 0.00 31.44 29.95 3ial n GLU 225 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ial n LEU 226 N -3.96 2.18 -3.01 -4.62 4.77 -0.40 -4.61 117.00 107.34 3ial n LEU 226 Ca -0.49 -0.83 -0.22 0.00 -0.03 0.00 0.00 56.01 54.45 3ial n LEU 226 Cb 0.87 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.90 3ial n LEU 226 CO 0.07 0.42 -0.05 0.00 -1.33 0.00 0.00 177.39 176.49 3ial s PHE 228 N -3.05 1.61 0.08 0.00 -0.12 -0.42 -3.95 117.98 112.14 3ial s PHE 228 Ca 0.28 -1.24 0.06 0.00 -0.05 0.00 0.00 56.93 55.99 3ial s PHE 228 Cb -0.13 -0.93 -0.03 0.00 -0.63 0.00 0.00 43.02 41.29 3ial s PHE 228 CO 0.34 -0.37 -0.17 0.21 -0.05 0.00 0.00 175.22 175.18 3ial s LYS 229 N -3.93 0.96 0.14 1.99 2.20 -1.26 -3.26 119.74 116.59 3ial s LYS 229 Ca 0.36 -1.04 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 3ial s LYS 229 Cb 0.07 -1.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.26 3ial s LYS 229 CO 0.15 0.25 -0.11 0.20 -0.36 0.00 0.00 175.35 175.48 3ial s GLY 230 N -1.78 1.09 -0.41 5.54 0.00 -1.26 -4.63 107.32 105.87 3ial s GLY 230 Ca 0.02 -1.44 -0.26 0.00 0.00 0.00 0.00 44.72 43.04 3ial s GLY 230 CO 0.03 -1.53 0.93 1.62 0.00 0.00 0.00 173.10 174.15 3ial s GLN 231 N -3.42 3.71 -0.08 2.90 2.00 -0.32 -4.85 119.66 119.60 3ial s GLN 231 Ca 0.15 0.41 -0.30 0.00 -2.00 0.00 0.00 55.36 53.62 3ial s GLN 231 Cb 0.00 -3.86 -0.03 0.00 0.80 0.00 0.00 33.01 29.92 3ial s GLN 231 CO 0.02 -1.07 1.31 0.21 -0.50 0.00 0.00 175.29 175.26 3ial s LYS 232 N 3.61 4.27 0.04 1.67 2.20 -1.26 -1.35 119.74 128.93 3ial s LYS 232 Ca 0.38 1.79 0.02 0.00 -0.36 0.00 0.00 55.97 57.79 3ial s LYS 232 Cb -0.11 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 3ial s LYS 232 CO 0.22 -0.61 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.02 3ial s LEU 233 N 2.92 2.25 -0.43 5.43 1.43 -0.10 -4.52 118.68 125.67 3ial s LEU 233 Ca 0.59 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 3ial s LEU 233 Cb -0.26 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 45.87 3ial s LEU 233 CO 0.21 -0.22 1.13 -0.60 0.23 0.00 0.00 176.35 177.10 3ial s ARG 234 N -1.55 3.82 0.35 1.70 6.06 0.15 -0.74 118.95 128.75 3ial s ARG 234 Ca -0.11 0.72 -0.28 0.00 -2.50 0.00 0.00 55.73 53.56 3ial s ARG 234 Cb -0.10 -3.86 -0.11 0.00 0.06 0.00 0.00 34.95 30.94 3ial s ARG 234 CO 0.00 -1.25 1.47 -2.13 -2.50 0.00 0.00 175.30 170.90 3ial n ARG 235 N 7.57 2.57 -1.58 5.12 3.00 0.47 -2.43 116.66 131.38 3ial n ARG 235 Ca 0.12 0.90 -0.45 0.00 -0.00 0.00 0.00 57.85 58.43 3ial n ARG 235 Cb 0.48 -2.62 -0.02 0.00 0.00 0.00 0.00 32.46 30.31 3ial n ARG 235 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3ial n VAL 236 N 0.78 2.00 0.24 5.15 0.24 -0.93 -4.68 118.33 121.13 3ial n VAL 236 Ca 0.03 -0.50 0.10 0.00 -2.04 0.00 0.00 64.34 61.93 3ial n VAL 236 Cb 0.38 -0.93 0.59 0.00 -1.47 0.00 0.00 33.84 32.40 3ial n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ial n TRP 238 N -3.68 0.00 -2.21 0.00 2.14 -1.26 -3.47 117.44 108.96 3ial n TRP 238 Ca -0.01 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.57 3ial n TRP 238 Cb 0.31 -0.08 0.09 0.00 -0.81 0.00 0.00 31.31 30.82 3ial n TRP 238 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 3ial n ASP 239 N -1.08 1.70 -4.71 -0.67 2.03 -0.47 -5.10 116.55 108.26 3ial n ASP 239 Ca 0.20 -2.80 -0.33 0.00 0.52 0.00 0.00 54.79 52.38 3ial n ASP 239 Cb 0.14 -0.40 0.12 0.00 -0.72 0.00 0.00 41.12 40.25 3ial n ASP 239 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ial s ARG 240 N -1.93 1.75 0.19 -0.67 0.52 -1.19 -4.85 118.95 112.78 3ial s ARG 240 Ca 0.36 1.71 -0.33 0.00 -0.52 0.00 0.00 55.73 56.95 3ial s ARG 240 Cb 0.38 -1.79 -0.14 0.00 0.52 0.00 0.00 34.95 33.91 3ial s ARG 240 CO -0.10 -2.12 1.37 0.34 0.02 0.00 0.00 175.30 174.82 3ial n PHE 241 N -3.23 1.91 -1.65 -0.53 7.35 -1.26 -4.82 117.46 115.23 3ial n PHE 241 Ca 0.13 0.48 -0.43 0.00 -0.76 0.00 0.00 57.45 56.87 3ial n PHE 241 Cb 0.51 -2.42 -0.03 0.00 0.35 0.00 0.00 39.48 37.89 3ial n PHE 241 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3ial s PRO 242 N -0.07 3.40 0.00 -7.13 0.02 -1.26 -0.79 135.00 129.17 3ial s PRO 242 Ca 0.73 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.89 3ial s PRO 242 Cb -0.73 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 29.48 3ial s PRO 242 CO 0.48 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.76 3ial n GLY 243 N 5.42 2.75 3.76 0.52 0.00 -1.26 -4.20 105.19 112.18 3ial n GLY 243 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 3ial n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ial s ALA 244 N -2.54 2.59 0.08 4.61 0.00 0.03 -4.85 121.76 121.68 3ial s ALA 244 Ca 0.00 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 52.79 3ial s ALA 244 Cb 0.00 -3.42 -0.23 0.00 0.00 0.00 0.00 23.12 19.47 3ial s ALA 244 CO 0.00 -1.03 1.17 -0.44 0.00 0.00 0.00 175.76 175.46 3ial h ASP 245 N 0.97 0.72 -5.02 0.00 5.19 -1.22 -3.47 116.42 113.60 3ial h ASP 245 Ca -0.50 -0.65 -0.01 0.00 -0.62 0.00 0.00 57.03 55.25 3ial h ASP 245 Cb 1.28 -0.23 -0.11 0.00 0.18 0.00 0.00 39.33 40.46 3ial h ASP 245 CO 0.56 1.46 0.16 -0.72 -3.12 0.00 0.00 179.24 177.57 3ial s TYR 246 N -3.04 -0.40 -0.04 4.55 1.13 -1.04 -5.04 117.35 113.48 3ial s TYR 246 Ca -0.08 0.13 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 3ial s TYR 246 Cb 0.07 0.52 0.01 0.00 -1.10 0.00 0.00 41.96 41.46 3ial s TYR 246 CO 0.91 -0.89 -0.07 -1.12 -2.51 0.00 0.00 175.55 171.86 3ial s SER 247 N -2.79 1.15 0.02 -0.18 0.01 -1.26 -2.06 113.70 108.59 3ial s SER 247 Ca 0.04 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.18 3ial s SER 247 Cb -0.01 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 3ial s SER 247 CO -0.09 0.01 -0.17 -1.61 0.41 0.00 0.00 173.24 171.79 3ial s GLU 248 N 0.55 2.17 0.06 12.44 2.02 0.48 -0.40 118.70 136.02 3ial s GLU 248 Ca -0.08 -0.92 -0.04 0.00 0.02 0.00 0.00 54.97 53.94 3ial s GLU 248 Cb -0.12 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 3ial s GLU 248 CO 0.01 0.56 0.06 0.14 0.02 0.00 0.00 175.26 176.05 3ial s VAL 249 N -0.89 0.18 -0.35 2.63 -7.23 0.08 -0.11 120.40 114.70 3ial s VAL 249 Ca 0.14 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 3ial s VAL 249 Cb -0.11 -1.31 0.06 0.00 0.56 0.00 0.00 36.38 35.59 3ial s VAL 249 CO 0.05 -0.80 0.11 -0.55 -0.31 0.00 0.00 175.10 173.59 3ial s SER 250 N -2.71 5.19 -0.40 4.85 0.15 -1.04 -0.92 113.70 118.81 3ial s SER 250 Ca 0.03 -1.45 -0.18 0.00 0.70 0.00 0.00 55.95 55.05 3ial s SER 250 Cb 0.05 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.55 3ial s SER 250 CO -0.09 -0.38 0.51 -1.81 1.20 0.00 0.00 173.24 172.67 3ial s ASP 251 N 1.54 6.26 -0.24 5.45 1.01 -0.45 -0.97 116.67 129.27 3ial s ASP 251 Ca 0.00 -0.39 -0.11 0.00 0.71 0.00 0.00 52.55 52.76 3ial s ASP 251 Cb -0.21 -2.26 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 3ial s ASP 251 CO -0.00 -0.60 0.20 -0.69 0.21 0.00 0.00 175.17 174.29 3ial s VAL 252 N 2.40 5.33 -0.03 -1.27 1.01 -0.16 -1.18 120.40 126.50 3ial s VAL 252 Ca 0.17 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 3ial s VAL 252 Cb -0.16 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3ial s VAL 252 CO 0.15 0.33 1.51 -0.69 0.00 0.00 0.00 175.10 176.40 3ial s VAL 253 N 1.12 3.63 0.36 2.92 1.01 -1.26 -0.79 120.40 127.40 3ial s VAL 253 Ca 0.09 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.02 3ial s VAL 253 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3ial s VAL 253 CO 0.05 -0.04 0.54 -0.04 0.00 0.00 0.00 175.10 175.61 3ial s MET 254 N 3.15 3.27 0.63 2.72 -1.94 -0.27 -4.97 119.30 121.88 3ial s MET 254 Ca 0.68 -0.59 0.36 0.00 -1.71 0.00 0.00 55.69 54.43 3ial s MET 254 Cb -0.32 -2.70 2.07 0.00 2.01 0.00 0.00 34.83 35.89 3ial s MET 254 CO 0.27 0.04 2.27 -1.35 -0.01 0.00 0.00 175.02 176.24 3ial h PRO 255 N 0.73 0.00 0.00 2.03 0.11 -1.86 0.41 132.00 133.42 3ial h PRO 255 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ial h PRO 255 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ial h PRO 255 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3ial n GLY 257 N 0.80 0.27 3.86 0.00 0.00 0.13 -4.86 105.19 105.40 3ial n GLY 257 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3ial n GLY 257 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ial s ARG 258 N -0.92 3.73 0.07 1.61 0.52 -1.26 -0.13 118.95 122.57 3ial s ARG 258 Ca 0.00 0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 3ial s ARG 258 Cb 0.00 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 3ial s ARG 258 CO 0.00 -0.39 0.23 0.14 0.02 0.00 0.00 175.30 175.30 3ial s VAL 259 N -2.88 5.37 -0.16 3.52 -7.23 0.60 -1.12 120.40 118.49 3ial s VAL 259 Ca 0.55 -0.34 0.02 0.00 -1.81 0.00 0.00 61.98 60.40 3ial s VAL 259 Cb -0.10 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.22 3ial s VAL 259 CO 0.43 0.13 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.93 3ial s LEU 260 N -2.52 2.09 -0.26 1.32 2.96 0.03 -1.79 118.68 120.51 3ial s LEU 260 Ca 0.36 -0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 3ial s LEU 260 Cb -0.13 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 3ial s LEU 260 CO 0.28 0.03 1.49 -1.58 -1.32 0.00 0.00 176.35 175.24 3ial s GLN 261 N 1.11 3.83 -0.00 1.98 0.74 -1.26 -0.99 119.66 125.06 3ial s GLN 261 Ca -0.00 1.46 0.01 0.00 0.05 0.00 0.00 55.36 56.89 3ial s GLN 261 Cb -0.14 -3.98 -0.01 0.00 1.10 0.00 0.00 33.01 29.98 3ial s GLN 261 CO -0.08 -1.25 0.05 2.41 -0.55 0.00 0.00 175.29 175.87 3ial n THR 262 N 6.37 0.00 -3.89 -0.34 -1.04 -0.14 -4.95 114.28 110.29 3ial n THR 262 Ca 0.17 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.05 61.65 3ial n THR 262 Cb 0.46 0.94 -0.13 0.00 -1.82 0.00 0.00 70.33 69.79 3ial n THR 262 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ial s ALA 263 N -1.22 -0.06 -0.12 2.41 0.00 -1.22 -4.53 121.76 117.02 3ial s ALA 263 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 3ial s ALA 263 Cb 0.01 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3ial s ALA 263 CO 0.05 -0.07 -0.09 0.20 0.00 0.00 0.00 175.76 175.84 3ial s GLY 264 N -0.50 0.89 -0.15 0.00 0.00 -0.79 -2.48 107.32 104.29 3ial s GLY 264 Ca -0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 3ial s GLY 264 CO -0.00 0.71 -0.06 -0.42 0.00 0.00 0.00 173.10 173.33 3ial s ILE 265 N 1.60 1.08 -0.02 0.90 1.01 0.84 -0.56 121.20 126.05 3ial s ILE 265 Ca 0.04 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.23 3ial s ILE 265 Cb -0.13 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3ial s ILE 265 CO -0.08 0.21 -0.18 -1.00 0.00 0.00 0.00 174.94 173.89 3ial s HIS 266 N 1.66 1.59 -0.40 3.97 3.76 0.33 -0.38 115.29 125.82 3ial s HIS 266 Ca 0.02 -0.31 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 3ial s HIS 266 Cb -0.14 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.55 3ial s HIS 266 CO -0.08 -0.04 0.26 1.21 -0.85 0.00 0.00 174.74 175.25 3ial s ASN 267 N -0.38 5.94 0.00 1.40 3.84 -0.87 -1.66 114.94 123.21 3ial s ASN 267 Ca 0.06 -0.98 0.28 0.00 0.21 0.00 0.00 52.86 52.42 3ial s ASN 267 Cb -0.07 -2.10 1.01 0.00 -0.55 0.00 0.00 41.25 39.54 3ial s ASN 267 CO -0.00 -0.44 1.72 0.18 -2.79 0.00 0.00 177.10 175.77 3ial n LEU 268 N 5.08 1.03 0.00 3.21 4.77 0.28 -0.94 117.00 130.43 3ial n LEU 268 Ca -0.11 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3ial n LEU 268 Cb 0.46 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3ial n LEU 268 CO 0.39 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3ial n GLY 269 N 1.25 2.61 0.56 -0.72 0.00 -1.22 -3.39 105.19 104.29 3ial n GLY 269 Ca 0.16 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.80 3ial n GLY 269 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ial n GLN 270 N 13.67 1.25 0.03 1.61 6.02 -1.26 -1.11 117.38 137.58 3ial n GLN 270 Ca 0.00 -1.46 -0.11 0.00 -0.01 0.00 0.00 57.00 55.42 3ial n GLN 270 Cb 0.00 -1.26 -0.05 0.00 1.02 0.00 0.00 30.24 29.95 3ial n GLN 270 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ial h ARG 271 N 2.46 -0.11 -0.18 -1.09 3.08 -1.90 -1.60 114.38 115.04 3ial h ARG 271 Ca 0.00 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3ial h ARG 271 Cb 0.59 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3ial h ARG 271 CO 0.00 -0.07 -0.30 0.74 -1.07 0.00 0.00 179.97 179.27 3ial h PHE 272 N -0.12 0.39 -0.58 3.04 0.04 -1.85 -2.05 116.94 115.81 3ial h PHE 272 Ca 0.05 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 3ial h PHE 272 Cb 0.18 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3ial h PHE 272 CO -0.17 0.62 0.12 0.77 -0.60 0.00 0.00 178.31 179.04 3ial h SER 273 N 0.31 0.86 -0.20 2.17 0.02 -1.70 0.23 113.55 115.24 3ial h SER 273 Ca 0.04 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3ial h SER 273 Cb 0.68 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3ial h SER 273 CO 0.05 0.85 -0.18 -1.28 -1.14 0.00 0.00 176.83 175.13 3ial h SER 274 N 0.87 0.50 -0.48 3.07 0.87 -1.16 0.35 113.55 117.57 3ial h SER 274 Ca 0.18 -0.47 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 3ial h SER 274 Cb 0.35 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3ial h SER 274 CO 0.00 0.87 0.11 0.74 -0.53 0.00 0.00 176.83 178.02 3ial h THR 275 N 0.14 1.24 -0.62 2.23 2.02 -1.06 -3.00 112.91 113.86 3ial h THR 275 Ca 0.03 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3ial h THR 275 Cb 0.72 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3ial h THR 275 CO 0.05 0.30 0.00 0.49 0.37 0.00 0.00 175.52 176.73 3ial n PHE 276 N -4.48 0.84 -3.60 3.16 3.72 0.79 -4.96 117.46 112.93 3ial n PHE 276 Ca 0.01 -0.42 -0.21 0.00 -0.05 0.00 0.00 57.45 56.78 3ial n PHE 276 Cb 0.22 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.81 3ial n PHE 276 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ial n ASP 277 N 1.32 -2.40 -4.54 4.37 9.92 -0.48 -4.70 116.55 120.04 3ial n ASP 277 Ca 0.21 -0.79 -0.42 0.00 -0.53 0.00 0.00 54.79 53.25 3ial n ASP 277 Cb 0.53 -4.31 -0.08 0.00 -0.64 0.00 0.00 41.12 36.62 3ial n ASP 277 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3ial s ILE 278 N -3.56 4.96 0.01 0.53 1.01 0.11 -4.74 121.20 119.51 3ial s ILE 278 Ca 0.11 0.23 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3ial s ILE 278 Cb -0.03 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3ial s ILE 278 CO 0.79 -0.35 -0.05 -0.76 0.00 0.00 0.00 174.94 174.58 3ial s LEU 279 N 2.51 2.06 0.03 2.97 1.43 -1.26 -4.12 118.68 122.30 3ial s LEU 279 Ca 0.20 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3ial s LEU 279 Cb -0.15 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 3ial s LEU 279 CO 0.15 -0.00 -0.14 -0.72 0.23 0.00 0.00 176.35 175.86 3ial s TYR 280 N -0.38 1.25 -0.22 0.29 -0.85 -0.38 -4.11 117.35 112.95 3ial s TYR 280 Ca -0.01 -0.34 -0.29 0.00 -0.52 0.00 0.00 57.07 55.91 3ial s TYR 280 Cb -0.04 -0.75 0.01 0.00 0.38 0.00 0.00 41.96 41.56 3ial s TYR 280 CO -0.00 0.03 1.03 0.00 -1.52 0.00 0.00 175.55 175.09 3ial s ALA 281 N -0.79 3.66 1.01 9.51 0.00 -0.49 -0.55 121.76 134.10 3ial s ALA 281 Ca 0.02 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 3ial s ALA 281 Cb -0.08 -3.53 0.11 0.00 0.00 0.00 0.00 23.12 19.62 3ial s ALA 281 CO 0.01 -1.00 0.62 0.27 0.00 0.00 0.00 175.76 175.66 3ial n ASN 282 N 6.17 -0.05 0.18 0.00 0.23 0.21 -1.42 115.26 120.58 3ial n ASN 282 Ca 0.11 -1.20 0.04 0.00 -0.53 0.00 0.00 54.58 53.01 3ial n ASN 282 Cb 0.46 -0.48 0.47 0.00 -2.08 0.00 0.00 39.78 38.16 3ial n ASN 282 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3ial h LYS 283 N 0.00 0.12 -0.08 -3.83 1.57 -1.97 -0.62 116.57 111.75 3ial h LYS 283 Ca -0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3ial h LYS 283 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ial h LYS 283 CO 0.14 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 3ial n ALA 284 N -2.50 2.56 -1.92 3.86 0.00 -1.26 -4.90 120.51 116.34 3ial n ALA 284 Ca -0.02 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 52.98 3ial n ALA 284 Cb 0.22 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 3ial n ALA 284 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ial n ASN 285 N -0.26 -4.65 -4.77 0.00 5.15 -0.24 -5.01 115.26 105.49 3ial n ASN 285 Ca 0.14 0.15 -0.39 0.00 -0.60 0.00 0.00 54.58 53.87 3ial n ASN 285 Cb 0.18 -3.65 -0.06 0.00 -0.53 0.00 0.00 39.78 35.72 3ial n ASN 285 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ial s GLU 286 N -4.12 4.52 -0.21 1.20 2.02 -1.26 -4.77 118.70 116.08 3ial s GLU 286 Ca 0.00 1.09 -0.25 0.00 0.02 0.00 0.00 54.97 55.83 3ial s GLU 286 Cb 0.00 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 3ial s GLU 286 CO 0.00 0.48 0.83 0.45 0.02 0.00 0.00 175.26 177.04 3ial s SER 287 N -0.78 6.89 0.02 -0.19 0.15 -1.26 -0.62 113.70 117.91 3ial s SER 287 Ca 0.36 1.11 0.05 0.00 0.70 0.00 0.00 55.95 58.16 3ial s SER 287 Cb -0.22 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 3ial s SER 287 CO 0.25 -0.46 -0.14 -0.69 1.20 0.00 0.00 173.24 173.40 3ial s VAL 288 N 2.51 1.10 -0.27 4.45 1.01 0.28 -4.93 120.40 124.55 3ial s VAL 288 Ca 0.37 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 3ial s VAL 288 Cb -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3ial s VAL 288 CO 0.10 0.13 0.90 -1.00 0.00 0.00 0.00 175.10 175.23 3ial s HIS 289 N -0.63 3.26 0.76 5.22 3.76 -1.26 -1.25 115.29 125.15 3ial s HIS 289 Ca 0.03 1.13 -0.11 0.00 -0.15 0.00 0.00 55.06 55.96 3ial s HIS 289 Cb -0.07 -3.25 0.05 0.00 1.11 0.00 0.00 32.58 30.42 3ial s HIS 289 CO 0.01 -0.52 1.08 -1.25 -0.85 0.00 0.00 174.74 173.20 3ial s PRO 290 N 3.09 2.38 0.30 8.40 0.04 -1.26 -4.96 135.00 142.98 3ial s PRO 290 Ca 0.38 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 3ial s PRO 290 Cb -0.14 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3ial s PRO 290 CO 0.10 -1.46 0.75 0.71 0.04 0.00 0.00 177.00 177.14 3ial s TYR 291 N -3.08 3.46 -0.02 0.56 1.51 0.01 -4.56 117.35 115.24 3ial s TYR 291 Ca 0.60 1.30 0.07 0.00 -1.01 0.00 0.00 57.07 58.03 3ial s TYR 291 Cb -0.15 -2.58 -0.02 0.00 -0.11 0.00 0.00 41.96 39.10 3ial s TYR 291 CO 0.55 0.16 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.41 3ial s LEU 292 N -2.67 2.25 0.15 -1.29 1.43 -0.27 -0.35 118.68 117.93 3ial s LEU 292 Ca 0.51 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3ial s LEU 292 Cb -0.12 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3ial s LEU 292 CO 0.18 0.32 -0.11 0.42 0.23 0.00 0.00 176.35 177.39 3ial s THR 293 N -0.66 1.24 0.12 5.49 -4.23 -0.42 -0.56 115.64 116.62 3ial s THR 293 Ca 0.11 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.46 3ial s THR 293 Cb -0.10 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 71.96 3ial s THR 293 CO -0.00 -0.68 0.36 0.00 -0.54 0.00 0.00 174.62 173.76 3ial s ALA 295 N -3.82 -0.44 -0.02 0.00 0.00 -0.32 -0.51 121.76 116.64 3ial s ALA 295 Ca 0.04 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3ial s ALA 295 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3ial s ALA 295 CO -0.11 -0.10 -0.03 0.20 0.00 0.00 0.00 175.76 175.72 3ial s GLY 296 N 0.26 0.29 0.02 0.00 0.00 0.27 -0.70 107.32 107.46 3ial s GLY 296 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.72 3ial s GLY 296 CO -0.01 0.28 -0.10 -0.26 0.00 0.00 0.00 173.10 173.01 3ial s ILE 297 N 0.59 0.80 0.00 0.90 -4.36 -0.81 -1.89 121.20 116.44 3ial s ILE 297 Ca -0.07 -0.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 3ial s ILE 297 Cb -0.10 -0.73 0.00 0.00 1.25 0.00 0.00 42.46 42.88 3ial s ILE 297 CO -0.01 0.01 0.00 -1.54 0.24 0.00 0.00 174.94 173.64 3ial n SER 298 N 2.23 1.30 0.22 4.36 3.41 -1.26 -0.59 113.62 123.29 3ial n SER 298 Ca -0.17 -0.51 0.15 0.00 -0.26 0.00 0.00 58.87 58.08 3ial n SER 298 Cb 0.56 0.00 0.80 0.00 -0.26 0.00 0.00 64.21 65.31 3ial n SER 298 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3ial h THR 299 N 0.51 0.00 -0.23 6.66 1.35 -1.70 -2.63 112.91 116.88 3ial h THR 299 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 3ial h THR 299 Cb 0.00 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 3ial h THR 299 CO 0.00 0.00 0.17 0.03 -0.25 0.00 0.00 175.52 175.47 3ial h ARG 300 N 0.00 0.00 -0.23 4.72 3.08 -1.85 -1.29 114.38 118.81 3ial h ARG 300 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ial h ARG 300 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3ial h ARG 300 CO 0.00 0.00 0.13 0.28 -1.07 0.00 0.00 179.97 179.31 3ial h VAL 301 N 0.00 1.10 -0.41 2.04 2.07 -1.73 -0.73 116.25 118.59 3ial h VAL 301 Ca 0.11 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3ial h VAL 301 Cb 0.45 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3ial h VAL 301 CO -0.00 0.09 0.23 0.25 0.02 0.00 0.00 177.57 178.17 3ial h LEU 302 N 0.27 0.50 -0.64 2.57 5.85 -1.61 -2.00 115.31 120.25 3ial h LEU 302 Ca 0.08 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.86 3ial h LEU 302 Cb 0.04 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.84 3ial h LEU 302 CO -0.01 0.44 0.04 0.00 -0.34 0.00 0.00 178.44 178.57 3ial h ALA 303 N 1.09 0.69 0.37 1.25 0.00 -0.97 -1.18 119.26 120.51 3ial h ALA 303 Ca 0.15 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3ial h ALA 303 Cb 0.04 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ial h ALA 303 CO -0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 179.25 178.67 3ial h ALA 305 N 0.04 1.16 -0.24 0.00 0.00 -1.05 -0.43 119.26 118.74 3ial h ALA 305 Ca -0.05 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3ial h ALA 305 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ial h ALA 305 CO 0.08 0.20 -0.46 -0.07 0.00 0.00 0.00 179.25 179.00 3ial h LEU 306 N 0.89 0.81 -0.12 0.00 3.38 -1.17 -3.11 115.31 115.98 3ial h LEU 306 Ca 0.38 -0.54 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 3ial h LEU 306 Cb 0.24 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3ial h LEU 306 CO -0.20 1.20 -0.69 0.28 0.09 0.00 0.00 178.44 179.12 3ial h SER 307 N 0.45 0.82 -0.17 -0.43 0.02 -0.77 -1.68 113.55 111.79 3ial h SER 307 Ca 0.01 -0.65 -0.22 0.00 -0.84 0.00 0.00 61.79 60.10 3ial h SER 307 Cb 1.06 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.37 3ial h SER 307 CO 0.10 1.33 -0.74 0.40 -1.14 0.00 0.00 176.83 176.79 3ial h ILE 308 N 0.36 1.28 0.00 3.27 2.04 -1.21 -3.28 117.51 119.97 3ial h ILE 308 Ca -0.05 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.83 3ial h ILE 308 Cb 1.33 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 3ial h ILE 308 CO 0.14 0.61 -0.70 0.45 0.00 0.00 0.00 178.15 178.66 3ial h HIS 309 N 0.54 0.00 -3.61 1.37 3.86 -1.61 -3.48 115.15 112.22 3ial h HIS 309 Ca -0.04 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.61 3ial h HIS 309 Cb 1.37 0.00 0.18 0.00 1.06 0.00 0.00 27.41 30.02 3ial h HIS 309 CO 0.09 0.17 -0.07 0.41 0.86 0.00 0.00 177.93 179.39 3ial n GLY 310 N 1.20 -0.81 0.00 2.45 0.00 -0.63 -4.46 105.19 102.93 3ial n GLY 310 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3ial n GLY 310 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ial n ASP 311 N -1.33 0.06 0.28 1.61 5.68 -0.46 -4.92 116.55 117.48 3ial n ASP 311 Ca 0.12 -0.97 0.14 0.00 -0.50 0.00 0.00 54.79 53.58 3ial n ASP 311 Cb 0.50 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.34 3ial n ASP 311 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ial h SER 312 N 0.00 0.00 0.29 -1.12 4.64 -1.93 -1.23 113.55 114.20 3ial h SER 312 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ial h SER 312 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ial h SER 312 CO 0.00 0.00 -0.13 0.61 -0.87 0.00 0.00 176.83 176.44 3ial n GLY 313 N -1.37 -0.79 0.00 -0.77 0.00 -1.26 -2.39 105.19 98.61 3ial n GLY 313 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3ial n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ial n GLY 314 N 1.28 0.20 3.84 -0.02 0.00 -0.47 -3.10 105.19 106.91 3ial n GLY 314 Ca 0.15 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 3ial n GLY 314 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ial s LEU 315 N 0.00 3.67 -0.30 0.99 1.43 -0.82 -1.35 118.68 122.31 3ial s LEU 315 Ca 0.00 1.61 -0.03 0.00 -1.03 0.00 0.00 54.13 54.68 3ial s LEU 315 Cb 0.00 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 41.81 3ial s LEU 315 CO 0.00 -0.59 0.14 -0.69 0.23 0.00 0.00 176.35 175.44 3ial s VAL 316 N -2.53 -0.05 -0.15 -1.59 1.01 -1.26 -3.20 120.40 112.63 3ial s VAL 316 Ca 0.60 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3ial s VAL 316 Cb -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3ial s VAL 316 CO 0.28 -0.76 0.38 -0.76 0.00 0.00 0.00 175.10 174.24 3ial s LEU 317 N 1.97 4.24 0.57 3.92 1.43 -1.02 -4.59 118.68 125.21 3ial s LEU 317 Ca 0.10 0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 53.62 3ial s LEU 317 Cb -0.17 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3ial s LEU 317 CO -0.32 0.03 1.22 -2.65 0.23 0.00 0.00 176.35 174.86 3ial n PRO 318 N 3.80 1.34 -0.33 1.29 -0.02 -1.26 -4.57 135.00 135.25 3ial n PRO 318 Ca -0.09 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 3ial n PRO 318 Cb 0.52 -2.43 0.29 0.00 -0.02 0.00 0.00 33.50 31.86 3ial n PRO 318 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ial h PRO 319 N 1.00 0.64 -0.84 0.52 0.11 -1.93 -2.25 132.00 129.25 3ial h PRO 319 Ca -0.50 -0.04 0.21 0.00 0.11 0.00 0.00 66.00 65.78 3ial h PRO 319 Cb 1.33 -0.14 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 3ial h PRO 319 CO 0.55 0.42 0.24 1.25 -0.21 0.00 0.00 178.00 180.24 3ial h LEU 320 N 0.66 0.05 -2.87 2.35 5.85 -1.91 -2.48 115.31 116.95 3ial h LEU 320 Ca 0.54 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.44 3ial h LEU 320 Cb 0.86 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3ial h LEU 320 CO -0.40 -0.09 0.00 2.30 -0.34 0.00 0.00 178.44 179.90 3ial n ILE 321 N -5.18 1.07 -2.70 4.05 -5.35 -0.87 -4.88 119.36 105.50 3ial n ILE 321 Ca 0.19 -1.03 -0.43 0.00 -0.27 0.00 0.00 62.75 61.21 3ial n ILE 321 Cb 0.60 0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 3ial n ILE 321 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ial s ALA 322 N -1.08 3.42 0.52 -1.28 0.00 -0.94 -4.43 121.76 117.97 3ial s ALA 322 Ca 0.32 -0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.21 3ial s ALA 322 Cb 0.17 -3.65 1.28 0.00 0.00 0.00 0.00 23.12 20.93 3ial s ALA 322 CO 0.21 -1.62 2.12 -1.35 0.00 0.00 0.00 175.76 175.13 3ial h PRO 323 N 8.37 0.01 -4.28 0.00 0.11 -1.89 -3.36 132.00 130.96 3ial h PRO 323 Ca -0.22 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.31 3ial h PRO 323 Cb 1.07 -0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.80 3ial h PRO 323 CO 1.02 0.01 -0.79 0.42 -0.21 0.00 0.00 178.00 178.45 3ial s ILE 324 N -5.07 1.33 0.23 4.15 1.01 -1.26 -4.84 121.20 116.75 3ial s ILE 324 Ca -0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 3ial s ILE 324 Cb 0.17 -1.54 0.09 0.00 0.01 0.00 0.00 42.46 41.20 3ial s ILE 324 CO 0.68 0.04 1.71 0.45 0.00 0.00 0.00 174.94 177.82 3ial h HIS 325 N 8.04 0.94 -3.34 3.97 3.86 -1.13 -3.38 115.15 124.11 3ial h HIS 325 Ca -0.22 -0.15 -0.28 0.00 -1.16 0.00 0.00 60.37 58.56 3ial h HIS 325 Cb 1.10 -0.25 -0.33 0.00 1.06 0.00 0.00 27.41 28.98 3ial h HIS 325 CO 0.47 0.87 -0.66 0.08 0.86 0.00 0.00 177.93 179.54 3ial s VAL 326 N -4.96 -0.07 -0.20 2.45 1.01 -1.03 -2.06 120.40 115.54 3ial s VAL 326 Ca -0.10 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 3ial s VAL 326 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 3ial s VAL 326 CO 0.83 0.09 -0.01 0.54 0.00 0.00 0.00 175.10 176.55 3ial s VAL 327 N 1.29 3.83 -0.23 2.92 0.11 -0.17 -1.25 120.40 126.90 3ial s VAL 327 Ca -0.07 -0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 58.53 3ial s VAL 327 Cb -0.12 -2.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.95 3ial s VAL 327 CO -0.05 0.43 0.14 -0.63 -3.33 0.00 0.00 175.10 171.66 3ial s ILE 328 N 1.02 5.18 -0.25 7.04 1.01 0.55 -1.24 121.20 134.51 3ial s ILE 328 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3ial s ILE 328 Cb -0.14 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 38.96 3ial s ILE 328 CO 0.01 0.36 -0.08 -0.63 0.00 0.00 0.00 174.94 174.60 3ial s ILE 329 N 0.99 2.58 0.09 2.92 1.01 0.37 -2.36 121.20 126.80 3ial s ILE 329 Ca 0.07 -1.26 -0.31 0.00 0.00 0.00 0.00 60.65 59.15 3ial s ILE 329 Cb -0.13 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 3ial s ILE 329 CO 0.04 0.12 1.43 -2.84 0.00 0.00 0.00 174.94 173.69 3ial s PRO 330 N 1.24 4.29 0.19 2.79 0.02 -1.26 -2.29 135.00 139.98 3ial s PRO 330 Ca -0.03 2.10 0.09 0.00 0.02 0.00 0.00 61.00 63.18 3ial s PRO 330 Cb -0.18 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 3ial s PRO 330 CO -0.05 -0.51 -0.08 0.96 -0.33 0.00 0.00 177.00 176.99 3ial s ILE 331 N 1.54 3.26 -1.17 2.83 -4.36 -0.43 -4.71 121.20 118.16 3ial s ILE 331 Ca 0.66 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 3ial s ILE 331 Cb -0.36 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 40.72 3ial s ILE 331 CO 0.30 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.95 3ial n GLY 332 N -0.05 1.19 3.90 6.27 0.00 -1.26 -4.26 105.19 110.98 3ial n GLY 332 Ca -0.10 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 3ial n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ial n GLY 334 N -2.77 0.58 3.79 0.00 0.00 -1.26 -5.05 105.19 100.48 3ial n GLY 334 Ca 0.05 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3ial n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ial s LYS 335 N -0.16 2.29 0.04 1.61 1.02 -1.26 -4.97 119.74 118.32 3ial s LYS 335 Ca 0.00 0.86 -0.31 0.00 0.02 0.00 0.00 55.97 56.55 3ial s LYS 335 Cb 0.00 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.32 3ial s LYS 335 CO 0.00 -1.53 1.42 0.15 -0.92 0.00 0.00 175.35 174.47 3ial s LYS 336 N -5.04 4.29 -1.43 1.68 1.02 -1.26 -2.84 119.74 116.16 3ial s LYS 336 Ca 0.60 2.03 -0.11 0.00 0.02 0.00 0.00 55.97 58.52 3ial s LYS 336 Cb -0.15 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.73 3ial s LYS 336 CO 0.55 -0.54 1.07 0.09 -0.92 0.00 0.00 175.35 175.60 3ial n ASN 337 N 4.92 -5.28 -1.44 2.83 3.02 -1.26 -4.91 115.26 113.15 3ial n ASN 337 Ca 0.13 -0.67 -0.01 0.00 -0.03 0.00 0.00 54.58 54.00 3ial n ASN 337 Cb 0.43 -4.47 0.10 0.00 -0.61 0.00 0.00 39.78 35.23 3ial n ASN 337 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ial n ASN 338 N -2.94 2.06 0.03 6.41 5.15 -1.13 -4.83 115.26 120.01 3ial n ASN 338 Ca 0.00 -3.05 -0.04 0.00 -0.60 0.00 0.00 54.58 50.89 3ial n ASN 338 Cb 0.55 -0.42 0.17 0.00 -0.53 0.00 0.00 39.78 39.55 3ial n ASN 338 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3ial h GLN 339 N 1.44 0.43 -0.24 1.20 7.50 -1.91 -2.29 115.11 121.25 3ial h GLN 339 Ca -0.02 -0.20 -0.06 0.00 0.50 0.00 0.00 58.65 58.86 3ial h GLN 339 Cb 1.40 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.92 3ial h GLN 339 CO 0.19 0.74 -0.10 1.49 -1.50 0.00 0.00 178.83 179.65 3ial h GLU 340 N 0.37 0.49 -0.85 1.46 4.81 -1.99 -2.34 114.58 116.52 3ial h GLU 340 Ca 0.04 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 3ial h GLU 340 Cb 0.81 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 3ial h GLU 340 CO 0.07 0.75 0.45 1.03 -0.73 0.00 0.00 179.01 180.57 3ial h SER 341 N 0.21 1.08 -0.22 1.04 0.87 -1.92 -2.52 113.55 112.09 3ial h SER 341 Ca 0.05 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3ial h SER 341 Cb 0.60 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3ial h SER 341 CO 0.03 0.89 0.03 0.44 -0.53 0.00 0.00 176.83 177.69 3ial h ASP 342 N 1.20 -0.01 -0.92 6.23 3.32 -1.33 -0.33 116.42 124.58 3ial h ASP 342 Ca 0.30 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.44 3ial h ASP 342 Cb 0.06 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3ial h ASP 342 CO -0.04 0.02 0.60 1.56 -1.72 0.00 0.00 179.24 179.66 3ial h GLN 343 N 0.12 1.04 -0.37 3.56 4.20 -1.19 0.31 115.11 122.78 3ial h GLN 343 Ca 0.10 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 3ial h GLN 343 Cb 0.11 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3ial h GLN 343 CO -0.15 0.69 -0.24 1.96 -0.67 0.00 0.00 178.83 180.42 3ial h GLN 344 N 1.07 0.81 0.21 1.46 4.20 -1.00 0.35 115.11 122.21 3ial h GLN 344 Ca 0.39 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3ial h GLN 344 Cb 0.15 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3ial h GLN 344 CO -0.14 1.01 -0.10 0.28 -0.67 0.00 0.00 178.83 179.21 3ial h VAL 345 N 0.60 0.87 -0.61 -0.54 2.07 -0.56 -1.79 116.25 116.29 3ial h VAL 345 Ca 0.07 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3ial h VAL 345 Cb 0.81 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3ial h VAL 345 CO 0.07 0.13 0.39 -0.07 0.02 0.00 0.00 177.57 178.10 3ial h LEU 346 N -0.58 0.71 -0.71 2.57 3.38 -0.42 -0.97 115.31 119.29 3ial h LEU 346 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ial h LEU 346 Cb 0.43 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3ial h LEU 346 CO 0.05 0.53 0.46 1.23 0.09 0.00 0.00 178.44 180.80 3ial h GLY 347 N 0.85 1.01 1.38 0.83 0.00 -0.20 -2.62 103.07 104.32 3ial h GLY 347 Ca 0.22 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 3ial h GLY 347 CO -0.04 0.38 -0.88 1.70 0.00 0.00 0.00 176.54 177.69 3ial h LYS 348 N 0.97 0.58 -0.98 4.80 1.63 -0.59 -2.81 116.57 120.17 3ial h LYS 348 Ca 0.26 -0.55 0.16 0.00 -0.85 0.00 0.00 60.65 59.68 3ial h LYS 348 Cb -0.09 0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 31.58 3ial h LYS 348 CO -0.05 1.17 0.59 0.28 -3.45 0.00 0.00 179.45 177.98 3ial h VAL 349 N 0.36 0.77 -0.42 2.00 2.07 -1.16 -0.62 116.25 119.26 3ial h VAL 349 Ca -0.07 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3ial h VAL 349 Cb 1.51 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3ial h VAL 349 CO 0.16 0.15 -0.14 0.78 0.02 0.00 0.00 177.57 178.54 3ial h ASN 350 N 0.81 0.85 -0.26 0.57 2.35 -1.34 -0.36 115.58 118.19 3ial h ASN 350 Ca 0.54 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3ial h ASN 350 Cb 0.75 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3ial h ASN 350 CO -0.35 1.04 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.11 3ial h GLU 351 N 0.65 0.59 0.04 0.81 5.08 -1.15 0.17 114.58 120.78 3ial h GLU 351 Ca 0.10 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ial h GLU 351 Cb 0.69 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ial h GLU 351 CO 0.05 0.63 -0.02 0.82 -1.00 0.00 0.00 179.01 179.49 3ial h ILE 352 N 0.56 1.17 -0.57 3.13 2.04 -1.02 -2.48 117.51 120.34 3ial h ILE 352 Ca 0.11 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.33 3ial h ILE 352 Cb 0.40 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 3ial h ILE 352 CO 0.02 0.18 0.27 0.00 0.00 0.00 0.00 178.15 178.61 3ial h ALA 353 N 0.57 0.74 -0.52 1.87 0.00 -0.73 -1.18 119.26 120.01 3ial h ALA 353 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ial h ALA 353 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ial h ALA 353 CO 0.01 -0.10 0.10 -0.44 0.00 0.00 0.00 179.25 178.81 3ial h ASP 354 N 0.50 0.82 0.07 0.00 3.32 -0.70 -0.63 116.42 119.80 3ial h ASP 354 Ca 0.27 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ial h ASP 354 Cb 0.23 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ial h ASP 354 CO -0.21 0.86 -0.04 0.74 -1.72 0.00 0.00 179.24 178.87 3ial h THR 355 N 0.74 0.96 -0.63 0.35 2.02 -1.23 0.85 112.91 115.98 3ial h THR 355 Ca 0.16 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3ial h THR 355 Cb 0.38 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3ial h THR 355 CO 0.01 0.02 0.41 -0.07 0.37 0.00 0.00 175.52 176.26 3ial h LEU 356 N -0.14 0.72 0.04 2.58 3.38 -1.03 -1.41 115.31 119.44 3ial h LEU 356 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ial h LEU 356 Cb 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ial h LEU 356 CO 0.02 0.52 -0.02 0.11 0.09 0.00 0.00 178.44 179.16 3ial h LYS 357 N 0.85 -0.05 -0.18 1.13 1.57 -1.04 -1.84 116.57 117.02 3ial h LYS 357 Ca 0.23 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 3ial h LYS 357 Cb -0.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3ial h LYS 357 CO -0.05 0.45 -0.41 0.77 -0.57 0.00 0.00 179.45 179.64 3ial h SER 358 N -0.97 0.67 0.57 0.86 0.02 -0.82 -0.86 113.55 113.02 3ial h SER 358 Ca -0.01 -0.57 -0.27 0.00 -0.84 0.00 0.00 61.79 60.11 3ial h SER 358 Cb 0.52 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 3ial h SER 358 CO 0.01 1.12 -1.59 0.11 -1.14 0.00 0.00 176.83 175.33 3ial h LYS 359 N 0.26 0.00 0.00 3.45 1.79 -1.42 -3.40 116.57 117.25 3ial h LYS 359 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ial h LYS 359 Cb 1.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3ial h LYS 359 CO 0.09 0.52 -0.91 1.28 -1.08 0.00 0.00 179.45 179.35 3ial n LEU 360 N -3.06 0.22 -0.46 2.94 4.77 -1.22 -5.02 117.00 115.16 3ial n LEU 360 Ca -0.14 -0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 55.52 3ial n LEU 360 Cb 1.01 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.08 3ial n LEU 360 CO 0.45 0.05 -0.06 0.61 -1.33 0.00 0.00 177.39 177.12 3ial n GLY 361 N 1.58 0.83 3.82 -0.72 0.00 -0.33 -5.00 105.19 105.38 3ial n GLY 361 Ca 0.00 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3ial n GLY 361 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ial s LEU 362 N -1.37 3.90 -0.26 0.99 1.43 -0.70 -4.97 118.68 117.69 3ial s LEU 362 Ca 0.00 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.60 3ial s LEU 362 Cb 0.00 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 3ial s LEU 362 CO 0.00 -0.43 0.62 -0.13 0.23 0.00 0.00 176.35 176.65 3ial s ARG 363 N -3.26 4.08 -0.02 1.70 0.52 -1.26 -4.19 118.95 116.51 3ial s ARG 363 Ca 0.62 0.50 0.05 0.00 -0.52 0.00 0.00 55.73 56.38 3ial s ARG 363 Cb -0.10 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 3ial s ARG 363 CO 0.15 -0.43 -0.18 0.08 0.02 0.00 0.00 175.30 174.94 3ial s VAL 364 N 2.51 1.41 0.11 3.52 1.01 -1.26 -0.81 120.40 126.89 3ial s VAL 364 Ca 0.26 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.59 3ial s VAL 364 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3ial s VAL 364 CO 0.09 0.40 -0.24 -0.55 0.00 0.00 0.00 175.10 174.80 3ial s SER 365 N -0.27 2.87 -0.21 3.32 0.15 -0.38 -5.00 113.70 114.18 3ial s SER 365 Ca 0.03 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 55.99 3ial s SER 365 Cb -0.08 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 3ial s SER 365 CO 0.00 0.12 -0.15 -0.63 1.20 0.00 0.00 173.24 173.78 3ial s ILE 366 N -1.09 2.33 -0.94 6.45 1.01 -1.26 -0.33 121.20 127.36 3ial s ILE 366 Ca 0.10 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 3ial s ILE 366 Cb -0.10 -2.09 0.23 0.00 0.01 0.00 0.00 42.46 40.51 3ial s ILE 366 CO 0.05 0.37 0.93 -0.62 0.00 0.00 0.00 174.94 175.66 3ial s ASP 367 N 1.28 6.94 -0.25 3.58 -1.08 -0.99 -4.89 116.67 121.25 3ial s ASP 367 Ca 0.02 -2.94 0.05 0.00 -0.52 0.00 0.00 52.55 49.16 3ial s ASP 367 Cb -0.15 -2.23 0.48 0.00 -1.46 0.00 0.00 42.92 39.56 3ial s ASP 367 CO -0.09 -0.53 1.52 -0.90 0.52 0.00 0.00 175.17 175.68 3ial n ASP 368 N 3.84 3.75 -4.50 -0.34 5.68 -1.26 -4.35 116.55 119.37 3ial n ASP 368 Ca 0.19 -2.91 -0.42 0.00 -0.50 0.00 0.00 54.79 51.14 3ial n ASP 368 Cb 0.45 -0.69 -0.03 0.00 -1.14 0.00 0.00 41.12 39.70 3ial n ASP 368 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ial s ASP 369 N -0.53 6.20 0.00 -1.12 2.15 -1.26 -4.88 116.67 117.24 3ial s ASP 369 Ca 0.38 -0.84 0.30 0.00 0.43 0.00 0.00 52.55 52.82 3ial s ASP 369 Cb 0.31 -2.48 1.41 0.00 -0.30 0.00 0.00 42.92 41.86 3ial s ASP 369 CO 0.09 -1.59 2.01 0.49 -0.17 0.00 0.00 175.17 175.99 3ial n PHE 370 N 8.41 0.00 0.03 -5.34 0.99 -1.26 -3.21 117.46 117.08 3ial n PHE 370 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.34 3ial n PHE 370 Cb 0.47 -0.37 -0.01 0.00 -1.00 0.00 0.00 39.48 38.58 3ial n PHE 370 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3ial h SER 371 N 0.00 0.65 -3.54 4.37 4.64 -1.98 -3.45 113.55 114.24 3ial h SER 371 Ca 0.00 -0.43 -0.52 0.00 -0.47 0.00 0.00 61.79 60.37 3ial h SER 371 Cb 0.36 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3ial h SER 371 CO 0.00 1.20 0.51 -0.54 -0.87 0.00 0.00 176.83 177.12 3ial s LYS 372 N -3.65 4.55 0.73 4.77 -0.14 -1.20 -5.03 119.74 119.77 3ial s LYS 372 Ca -0.07 1.78 -0.12 0.00 -1.36 0.00 0.00 55.97 56.20 3ial s LYS 372 Cb 0.10 -3.26 0.03 0.00 -1.68 0.00 0.00 37.83 33.02 3ial s LYS 372 CO 0.86 0.01 1.10 -1.54 -0.76 0.00 0.00 175.35 175.03 3ial s SER 373 N -0.04 4.76 0.25 2.83 1.04 -1.26 -4.87 113.70 116.40 3ial s SER 373 Ca 0.50 1.89 -0.06 0.00 0.48 0.00 0.00 55.95 58.77 3ial s SER 373 Cb -0.31 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 63.56 3ial s SER 373 CO 0.36 -1.87 1.92 0.24 0.98 0.00 0.00 173.24 174.87 3ial h MET 374 N -0.65 1.26 -0.56 4.02 2.86 -1.97 -1.60 114.93 118.29 3ial h MET 374 Ca -0.45 -0.08 0.10 0.00 -2.06 0.00 0.00 59.70 57.21 3ial h MET 374 Cb 1.24 -0.28 -0.07 0.00 0.06 0.00 0.00 31.60 32.54 3ial h MET 374 CO 0.52 0.84 0.15 0.78 1.06 0.00 0.00 176.91 180.26 3ial h GLY 375 N 1.30 0.74 1.31 8.32 0.00 -1.99 0.18 103.07 112.93 3ial h GLY 375 Ca 0.37 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.49 3ial h GLY 375 CO -0.10 -0.06 -0.45 -0.55 0.00 0.00 0.00 176.54 175.38 3ial h ASP 376 N 0.30 0.81 -0.20 0.19 3.32 -1.85 -1.50 116.42 117.49 3ial h ASP 376 Ca 0.29 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3ial h ASP 376 Cb 0.39 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3ial h ASP 376 CO -0.34 1.14 0.07 0.11 -1.72 0.00 0.00 179.24 178.50 3ial h LYS 377 N 0.60 0.30 -0.20 3.56 1.57 -0.81 -2.66 116.57 118.93 3ial h LYS 377 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ial h LYS 377 Cb 1.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3ial h LYS 377 CO 0.10 0.37 0.10 -0.07 -0.57 0.00 0.00 179.45 179.38 3ial h LEU 378 N 0.16 0.26 -0.67 2.94 3.38 -0.63 -1.46 115.31 119.29 3ial h LEU 378 Ca 0.07 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.06 3ial h LEU 378 Cb 0.19 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 3ial h LEU 378 CO -0.00 0.29 -0.22 0.22 0.09 0.00 0.00 178.44 178.82 3ial h TYR 379 N 0.20 -0.51 0.05 1.13 3.20 -1.28 -0.29 116.97 119.48 3ial h TYR 379 Ca 0.07 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3ial h TYR 379 Cb 0.10 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3ial h TYR 379 CO -0.03 -0.32 -0.02 -0.92 -1.64 0.00 0.00 178.16 175.23 3ial h TYR 380 N -0.04 -0.06 -0.06 -3.82 3.20 -1.08 0.24 116.97 115.35 3ial h TYR 380 Ca 0.31 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 3ial h TYR 380 Cb 0.52 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3ial h TYR 380 CO -0.58 0.25 -0.37 1.88 -1.64 0.00 0.00 178.16 177.69 3ial h TYR 381 N -0.37 0.15 -0.17 -3.82 0.05 -1.11 -1.01 116.97 110.70 3ial h TYR 381 Ca -0.01 -0.03 -0.20 0.00 0.05 0.00 0.00 58.73 58.54 3ial h TYR 381 Cb 0.33 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 38.05 3ial h TYR 381 CO 0.03 0.49 -0.68 0.93 -1.05 0.00 0.00 178.16 177.88 3ial h GLU 382 N 0.11 0.76 -0.84 4.88 5.08 -1.02 -1.88 114.58 121.67 3ial h GLU 382 Ca 0.01 -0.59 0.13 0.00 -1.00 0.00 0.00 59.36 57.91 3ial h GLU 382 Cb 0.72 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.00 3ial h GLU 382 CO 0.05 1.21 0.45 1.25 -1.00 0.00 0.00 179.01 180.97 3ial h LEU 383 N 0.48 0.59 -0.49 1.33 5.85 -0.59 -1.75 115.31 120.73 3ial h LEU 383 Ca -0.04 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ial h LEU 383 Cb 1.31 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ial h LEU 383 CO 0.14 0.29 -0.03 0.29 -0.34 0.00 0.00 178.44 178.79 3ial n LYS 384 N -4.82 1.22 -2.13 1.25 4.76 -0.41 -1.94 118.16 116.10 3ial n LYS 384 Ca 0.16 -0.49 -0.12 0.00 -2.87 0.00 0.00 58.31 54.98 3ial n LYS 384 Cb 0.37 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 3ial n LYS 384 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ial n GLY 385 N 1.15 0.04 3.67 0.72 0.00 -0.66 -4.83 105.19 105.29 3ial n GLY 385 Ca 0.19 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3ial n GLY 385 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ial s VAL 386 N -2.60 2.94 0.20 1.61 1.01 -0.84 -2.43 120.40 120.29 3ial s VAL 386 Ca 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 3ial s VAL 386 Cb 0.00 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.44 3ial s VAL 386 CO 0.00 -0.01 1.70 -0.65 0.00 0.00 0.00 175.10 176.14 3ial h PRO 387 N 9.75 0.21 -4.49 2.72 0.11 -1.73 -3.40 132.00 135.17 3ial h PRO 387 Ca -0.47 -0.01 -0.38 0.00 0.11 0.00 0.00 66.00 65.24 3ial h PRO 387 Cb 1.22 -0.05 -0.30 0.00 0.11 0.00 0.00 31.00 31.99 3ial h PRO 387 CO 0.94 0.14 -0.77 -0.51 -0.21 0.00 0.00 178.00 177.59 3ial s LEU 388 N -10.53 1.87 0.01 2.35 1.43 -0.88 0.09 118.68 113.02 3ial s LEU 388 Ca -0.13 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3ial s LEU 388 Cb 0.17 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.93 3ial s LEU 388 CO 0.73 0.07 -0.18 0.00 0.23 0.00 0.00 176.35 177.19 3ial s ARG 389 N 0.06 2.19 -0.13 1.70 1.70 -0.82 -1.00 118.95 122.65 3ial s ARG 389 Ca -0.00 -0.90 -0.00 0.00 -0.47 0.00 0.00 55.73 54.35 3ial s ARG 389 Cb -0.06 -2.21 -0.02 0.00 -0.57 0.00 0.00 34.95 32.09 3ial s ARG 389 CO -0.00 0.57 -0.12 0.42 -1.08 0.00 0.00 175.30 175.08 3ial s ILE 390 N -0.82 3.12 -0.16 4.99 1.01 -0.38 -0.86 121.20 128.10 3ial s ILE 390 Ca 0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 3ial s ILE 390 Cb -0.10 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3ial s ILE 390 CO 0.03 0.53 -0.03 -1.61 0.00 0.00 0.00 174.94 173.85 3ial s GLU 391 N 0.30 3.67 -0.10 2.79 2.02 0.17 -0.48 118.70 127.07 3ial s GLU 391 Ca -0.10 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.38 3ial s GLU 391 Cb -0.16 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.17 3ial s GLU 391 CO 0.05 0.23 -0.08 0.08 0.02 0.00 0.00 175.26 175.56 3ial s VAL 392 N 0.39 1.01 0.29 2.63 1.01 -0.97 -1.31 120.40 123.46 3ial s VAL 392 Ca -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3ial s VAL 392 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3ial s VAL 392 CO 0.03 0.36 0.13 -0.83 0.00 0.00 0.00 175.10 174.79 3ial s GLY 393 N 1.44 1.95 0.14 4.51 0.00 -1.26 -1.32 107.32 112.78 3ial s GLY 393 Ca -0.00 -1.78 -0.21 0.00 0.00 0.00 0.00 44.72 42.73 3ial s GLY 393 CO -0.05 -1.60 1.68 -1.61 0.00 0.00 0.00 173.10 171.52 3ial h GLN 394 N 2.27 -0.11 0.31 2.90 4.15 -1.92 0.01 115.11 122.73 3ial h GLN 394 Ca -0.35 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 3ial h GLN 394 Cb 1.25 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.97 3ial h GLN 394 CO 0.55 -0.07 -0.15 -0.09 -1.93 0.00 0.00 178.83 177.14 3ial h ARG 395 N -0.12 -0.41 -0.47 1.69 2.43 -1.97 -1.71 114.38 113.82 3ial h ARG 395 Ca 0.11 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3ial h ARG 395 Cb 0.28 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3ial h ARG 395 CO -0.26 -0.27 0.13 -0.44 -1.51 0.00 0.00 179.97 177.61 3ial h ASP 396 N -0.42 0.64 -0.35 -3.80 3.45 -1.79 -1.55 116.42 112.60 3ial h ASP 396 Ca -0.04 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 3ial h ASP 396 Cb 0.33 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 3ial h ASP 396 CO 0.07 0.63 0.18 0.25 -1.57 0.00 0.00 179.24 178.79 3ial h LEU 397 N 0.68 0.48 -0.67 1.55 5.85 -0.75 0.26 115.31 122.71 3ial h LEU 397 Ca 0.16 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3ial h LEU 397 Cb 0.23 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3ial h LEU 397 CO -0.01 0.42 -0.09 0.00 -0.34 0.00 0.00 178.44 178.42 3ial h ALA 398 N 1.66 0.87 -0.01 1.25 0.00 -0.36 -2.72 119.26 119.95 3ial h ALA 398 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ial h ALA 398 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ial h ALA 398 CO -0.02 0.65 -0.01 0.09 0.00 0.00 0.00 179.25 179.96 3ial n ASN 399 N -4.15 0.66 -0.65 0.00 3.02 -0.85 -4.93 115.26 108.35 3ial n ASN 399 Ca 0.02 -1.16 -0.07 0.00 -0.03 0.00 0.00 54.58 53.33 3ial n ASN 399 Cb 0.38 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 3ial n ASN 399 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ial n GLY 400 N 1.10 0.70 3.49 7.41 0.00 -0.07 -5.00 105.19 112.82 3ial n GLY 400 Ca 0.21 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3ial n GLY 400 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ial s GLN 401 N -3.13 1.76 0.17 1.61 -1.52 0.74 -0.06 119.66 119.23 3ial s GLN 401 Ca 0.00 -1.68 0.01 0.00 -1.95 0.00 0.00 55.36 51.73 3ial s GLN 401 Cb 0.00 -1.84 -0.04 0.00 -0.22 0.00 0.00 33.01 30.90 3ial s GLN 401 CO 0.00 0.34 0.04 0.00 -0.25 0.00 0.00 175.29 175.42 3ial s ILE 403 N -3.83 4.10 -0.17 0.00 1.09 -0.43 -1.88 121.20 120.09 3ial s ILE 403 Ca 0.27 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 3ial s ILE 403 Cb 0.07 -2.86 0.01 0.00 -1.06 0.00 0.00 42.46 38.62 3ial s ILE 403 CO 0.05 0.42 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.46 3ial s VAL 404 N 0.97 2.48 -0.20 2.92 1.01 0.22 0.45 120.40 128.23 3ial s VAL 404 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ial s VAL 404 Cb -0.14 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.24 3ial s VAL 404 CO 0.02 0.52 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 3ial s VAL 405 N 1.04 1.46 0.54 2.92 1.01 -0.04 -0.62 120.40 126.70 3ial s VAL 405 Ca -0.01 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 3ial s VAL 405 Cb -0.15 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 3ial s VAL 405 CO -0.04 0.06 1.03 -2.84 0.00 0.00 0.00 175.10 173.30 3ial s PRO 406 N 1.46 3.64 0.21 2.72 0.02 -1.26 -1.94 135.00 139.84 3ial s PRO 406 Ca -0.02 1.19 -0.02 0.00 0.02 0.00 0.00 61.00 62.16 3ial s PRO 406 Cb -0.17 -2.08 0.17 0.00 0.02 0.00 0.00 34.50 32.44 3ial s PRO 406 CO -0.07 -0.54 1.56 -0.09 -0.33 0.00 0.00 177.00 177.52 3ial h ARG 407 N 0.95 0.58 0.00 5.54 9.65 -0.56 -1.76 114.38 128.78 3ial h ARG 407 Ca -0.48 -0.32 -0.14 0.00 -1.10 0.00 0.00 59.98 57.94 3ial h ARG 407 Cb 1.21 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 3ial h ARG 407 CO 0.59 0.92 -0.69 0.38 2.80 0.00 0.00 179.97 183.97 3ial h ASP 408 N 0.47 0.00 0.00 -3.80 2.03 -1.93 -3.33 116.42 109.85 3ial h ASP 408 Ca 0.03 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.06 3ial h ASP 408 Cb 0.97 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.42 3ial h ASP 408 CO 0.09 0.69 -2.03 1.33 -1.03 0.00 0.00 179.24 178.29 3ial n VAL 409 N -3.57 1.02 -4.03 4.15 0.24 -1.24 -5.11 118.33 109.79 3ial n VAL 409 Ca -0.00 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 3ial n VAL 409 Cb 0.71 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 3ial n VAL 409 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ial n GLY 410 N 2.07 -1.58 0.36 7.63 0.00 -0.66 -4.31 105.19 108.70 3ial n GLY 410 Ca -0.24 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.52 3ial n GLY 410 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ial h LYS 411 N 0.00 0.79 0.00 1.61 3.64 -1.95 -2.67 116.57 117.99 3ial h LYS 411 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3ial h LYS 411 Cb 0.00 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3ial h LYS 411 CO 0.00 0.52 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.22 3ial h ASP 412 N 0.81 0.00 -1.09 4.20 3.32 -1.99 -2.35 116.42 119.32 3ial h ASP 412 Ca 0.36 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.84 3ial h ASP 412 Cb 0.34 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.47 3ial h ASP 412 CO -0.14 0.04 -0.69 0.00 -1.72 0.00 0.00 179.24 176.74 3ial n GLN 413 N -4.25 3.50 -1.74 3.56 6.02 -1.01 -5.07 117.38 118.39 3ial n GLN 413 Ca -0.03 -4.27 -0.38 0.00 -0.01 0.00 0.00 57.00 52.32 3ial n GLN 413 Cb 0.13 -2.27 0.06 0.00 1.02 0.00 0.00 30.24 29.18 3ial n GLN 413 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3ial s LYS 414 N -3.59 2.82 -0.17 -1.09 -2.85 -0.89 -4.81 119.74 109.16 3ial s LYS 414 Ca 0.50 2.17 -0.04 0.00 -1.00 0.00 0.00 55.97 57.60 3ial s LYS 414 Cb 0.41 -2.04 -0.03 0.00 -2.06 0.00 0.00 37.83 34.11 3ial s LYS 414 CO -0.06 -1.42 -0.03 1.03 0.10 0.00 0.00 175.35 174.97 3ial s ARG 415 N -3.15 3.67 -0.32 1.78 3.00 0.21 -4.98 118.95 119.15 3ial s ARG 415 Ca 0.78 -0.51 -0.20 0.00 0.00 0.00 0.00 55.73 55.79 3ial s ARG 415 Cb -0.40 -2.96 -0.01 0.00 0.00 0.00 0.00 34.95 31.58 3ial s ARG 415 CO 0.44 0.19 0.61 0.08 0.00 0.00 0.00 175.30 176.62 3ial s VAL 416 N 0.52 4.94 -0.08 3.52 1.01 -1.26 -0.61 120.40 128.44 3ial s VAL 416 Ca -0.02 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.70 3ial s VAL 416 Cb -0.14 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3ial s VAL 416 CO 0.02 -0.18 -0.15 -0.63 0.00 0.00 0.00 175.10 174.16 3ial s ILE 417 N 2.60 1.38 0.44 2.22 1.01 -0.79 -4.99 121.20 123.06 3ial s ILE 417 Ca 0.24 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 60.04 3ial s ILE 417 Cb -0.15 -1.24 -0.10 0.00 0.01 0.00 0.00 42.46 40.98 3ial s ILE 417 CO 0.13 0.41 1.17 -2.65 0.00 0.00 0.00 174.94 173.99 3ial n PRO 418 N 3.89 1.65 -0.28 2.79 -0.02 -1.26 -1.22 135.00 140.55 3ial n PRO 418 Ca -0.21 0.59 -0.06 0.00 -2.02 0.00 0.00 63.50 61.81 3ial n PRO 418 Cb 0.52 -2.26 0.08 0.00 -0.02 0.00 0.00 33.50 31.82 3ial n PRO 418 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ial h ILE 419 N 1.77 1.26 -0.57 4.25 2.04 -0.76 -2.16 117.51 123.33 3ial h ILE 419 Ca -0.47 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 64.62 3ial h ILE 419 Cb 1.31 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3ial h ILE 419 CO 0.58 0.34 0.27 0.71 0.00 0.00 0.00 178.15 180.05 3ial h THR 420 N 1.14 0.90 -0.36 -0.27 1.35 -1.91 -0.98 112.91 112.78 3ial h THR 420 Ca 0.26 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.94 3ial h THR 420 Cb 0.23 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 3ial h THR 420 CO -0.02 0.09 0.21 -0.08 -0.25 0.00 0.00 175.52 175.48 3ial h GLU 421 N 0.51 0.48 -0.64 4.72 4.57 -1.83 -0.90 114.58 121.49 3ial h GLU 421 Ca 0.27 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.47 3ial h GLU 421 Cb 0.22 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 3ial h GLU 421 CO -0.21 0.37 0.42 0.28 -1.18 0.00 0.00 179.01 178.69 3ial h VAL 422 N 0.46 0.99 0.00 0.32 2.07 -0.86 -0.72 116.25 118.51 3ial h VAL 422 Ca 0.13 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3ial h VAL 422 Cb 0.01 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3ial h VAL 422 CO -0.02 0.11 -0.12 0.24 0.02 0.00 0.00 177.57 177.80 3ial h MET 423 N 0.61 0.00 -6.25 1.57 2.86 -0.74 -3.45 114.93 109.52 3ial h MET 423 Ca 0.28 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.37 3ial h MET 423 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3ial h MET 423 CO -0.09 0.00 0.98 0.21 1.06 0.00 0.00 176.91 179.08 3ial s LYS 424 N -3.13 4.22 -0.08 1.72 2.20 -0.28 -5.00 119.74 119.38 3ial s LYS 424 Ca 0.09 1.99 0.01 0.00 -0.36 0.00 0.00 55.97 57.69 3ial s LYS 424 Cb 0.11 -3.84 0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3ial s LYS 424 CO 0.63 -0.75 -0.08 0.08 -0.36 0.00 0.00 175.35 174.86 3ial s VAL 425 N 3.56 0.96 0.07 4.02 1.01 -1.26 -4.45 120.40 124.31 3ial s VAL 425 Ca 0.66 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.41 3ial s VAL 425 Cb -0.29 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3ial s VAL 425 CO 0.24 0.34 -0.19 -0.94 0.00 0.00 0.00 175.10 174.55 3ial s SER 426 N 1.24 3.77 -0.01 3.32 1.04 -0.72 -4.98 113.70 117.36 3ial s SER 426 Ca -0.04 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 55.83 3ial s SER 426 Cb -0.14 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.43 3ial s SER 426 CO -0.03 0.22 0.13 -0.94 0.98 0.00 0.00 173.24 173.61 3ial s SER 427 N -1.71 0.00 0.14 7.02 1.04 -1.26 -0.08 113.70 118.86 3ial s SER 427 Ca 0.16 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.37 3ial s SER 427 Cb -0.10 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 3ial s SER 427 CO 0.07 -0.30 0.27 -1.38 0.98 0.00 0.00 173.24 172.88 3ial s HIS 428 N -1.07 0.26 -0.17 5.02 -3.43 -0.99 -5.01 115.29 109.90 3ial s HIS 428 Ca -0.12 -0.64 -0.03 0.00 -0.80 0.00 0.00 55.06 53.47 3ial s HIS 428 Cb -0.06 -0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 31.05 3ial s HIS 428 CO 0.01 -0.67 -0.07 -0.08 -2.00 0.00 0.00 174.74 171.93 3ial s THR 429 N -3.92 3.47 0.91 -5.38 -1.32 -1.26 -1.42 115.64 106.72 3ial s THR 429 Ca 0.12 -0.50 -0.13 0.00 -1.21 0.00 0.00 61.69 59.97 3ial s THR 429 Cb 0.04 -2.52 0.19 0.00 -1.51 0.00 0.00 72.50 68.69 3ial s THR 429 CO -0.04 0.48 1.26 -0.89 -2.21 0.00 0.00 174.62 173.22 3ial s THR 430 N 0.67 2.02 0.28 5.08 2.01 -0.95 -4.87 115.64 119.88 3ial s THR 430 Ca -0.04 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3ial s THR 430 Cb -0.15 -2.91 0.27 0.00 0.01 0.00 0.00 72.50 69.72 3ial s THR 430 CO 0.02 0.00 1.70 -0.33 -0.69 0.00 0.00 174.62 175.33 3ial h GLU 431 N -1.42 0.39 -0.55 4.92 5.08 -2.00 0.06 114.58 121.06 3ial h GLU 431 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3ial h GLU 431 Cb 1.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3ial h GLU 431 CO 0.39 0.26 0.00 0.09 -1.00 0.00 0.00 179.01 178.74 3ial n ASN 432 N -5.05 1.16 -2.23 1.42 4.13 -1.26 -4.87 115.26 108.56 3ial n ASN 432 Ca 0.19 -2.07 -0.19 0.00 1.68 0.00 0.00 54.58 54.19 3ial n ASN 432 Cb 0.58 -0.31 -0.01 0.00 -1.54 0.00 0.00 39.78 38.50 3ial n ASN 432 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3ial n HIS 433 N -0.04 -0.95 -3.51 3.10 8.25 0.01 -4.99 115.22 117.09 3ial n HIS 433 Ca 0.04 0.02 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 3ial n HIS 433 Cb 0.25 -3.78 -0.07 0.00 1.12 0.00 0.00 29.99 27.51 3ial n HIS 433 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3ial s GLU 434 N -4.99 4.22 -0.17 -0.41 -1.05 -1.26 -4.82 118.70 110.23 3ial s GLU 434 Ca 0.01 0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 54.71 3ial s GLU 434 Cb -0.00 -3.40 -0.00 0.00 -0.44 0.00 0.00 34.13 30.28 3ial s GLU 434 CO 0.01 0.28 1.00 -1.17 0.95 0.00 0.00 175.26 176.32 3ial s LEU 435 N 0.33 4.18 -0.36 1.83 2.96 -1.26 -2.24 118.68 124.12 3ial s LEU 435 Ca 0.18 1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 55.49 3ial s LEU 435 Cb -0.13 -3.50 0.09 0.00 0.50 0.00 0.00 46.19 43.14 3ial s LEU 435 CO 0.05 -0.53 0.12 -0.69 -1.32 0.00 0.00 176.35 173.98 3ial s VAL 436 N 2.52 3.09 -0.07 1.68 1.01 -0.51 -5.01 120.40 123.11 3ial s VAL 436 Ca 0.45 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.50 3ial s VAL 436 Cb -0.17 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 3ial s VAL 436 CO 0.12 -0.48 0.23 -0.69 0.00 0.00 0.00 175.10 174.28 3ial s VAL 437 N 1.16 5.36 -0.02 2.92 1.01 -1.26 -2.35 120.40 127.22 3ial s VAL 437 Ca 0.04 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3ial s VAL 437 Cb -0.21 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3ial s VAL 437 CO -0.03 0.58 -0.12 -0.54 0.00 0.00 0.00 175.10 174.98 3ial s LYS 438 N -1.13 1.05 -0.15 2.72 1.02 0.89 -5.00 119.74 119.14 3ial s LYS 438 Ca 0.19 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 3ial s LYS 438 Cb -0.13 -1.00 0.11 0.00 -0.52 0.00 0.00 37.83 36.29 3ial s LYS 438 CO 0.08 0.24 0.93 1.21 -0.92 0.00 0.00 175.35 176.88 3ial s ASN 439 N -0.17 -0.45 0.22 2.83 3.84 -1.26 -1.76 114.94 118.20 3ial s ASN 439 Ca 0.03 0.53 -0.07 0.00 0.21 0.00 0.00 52.86 53.55 3ial s ASN 439 Cb -0.06 0.42 0.19 0.00 -0.55 0.00 0.00 41.25 41.25 3ial s ASN 439 CO -0.00 -0.38 1.82 1.62 -2.79 0.00 0.00 177.10 177.37 3ial h VAL 440 N 2.76 1.26 -0.44 -5.21 3.04 -1.80 0.22 116.25 116.09 3ial h VAL 440 Ca -0.21 -0.70 -0.07 0.00 -1.01 0.00 0.00 66.70 64.70 3ial h VAL 440 Cb 1.16 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 3ial h VAL 440 CO 0.31 0.31 -0.01 0.40 -1.01 0.00 0.00 177.57 177.57 3ial h ILE 441 N 1.21 1.26 -0.05 3.17 1.08 -1.91 0.87 117.51 123.14 3ial h ILE 441 Ca 0.30 -1.05 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 3ial h ILE 441 Cb 0.10 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 3ial h ILE 441 CO -0.04 0.36 -0.17 0.50 -0.69 0.00 0.00 178.15 178.11 3ial h LYS 442 N 0.62 -0.25 -0.94 2.37 3.64 -1.89 -0.66 116.57 119.46 3ial h LYS 442 Ca 0.12 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 3ial h LYS 442 Cb 0.50 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.27 3ial h LYS 442 CO 0.02 -0.17 0.52 -0.44 -2.27 0.00 0.00 179.45 177.12 3ial h ASP 443 N -0.26 0.64 -0.46 4.20 3.32 -0.05 0.45 116.42 124.26 3ial h ASP 443 Ca 0.07 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3ial h ASP 443 Cb 0.36 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3ial h ASP 443 CO -0.20 0.22 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.10 3ial h GLU 444 N 0.67 0.93 -0.39 3.56 4.39 -0.35 0.28 114.58 123.67 3ial h GLU 444 Ca 0.54 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 3ial h GLU 444 Cb 0.84 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3ial h GLU 444 CO -0.39 0.99 0.08 -0.07 -1.16 0.00 0.00 179.01 178.45 3ial h LEU 445 N 0.83 0.60 -0.82 1.33 3.38 0.33 -0.56 115.31 120.40 3ial h LEU 445 Ca 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3ial h LEU 445 Cb 0.64 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3ial h LEU 445 CO 0.04 0.69 0.42 0.44 0.09 0.00 0.00 178.44 180.13 3ial h ASP 446 N 0.48 1.05 -0.17 -0.43 3.32 -0.80 -0.37 116.42 119.50 3ial h ASP 446 Ca 0.12 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3ial h ASP 446 Cb 0.34 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3ial h ASP 446 CO 0.00 0.87 -0.28 0.00 -1.72 0.00 0.00 179.24 178.12 3ial h ALA 447 N 1.22 0.92 0.04 3.45 0.00 -0.86 -1.73 119.26 122.31 3ial h ALA 447 Ca 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ial h ALA 447 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ial h ALA 447 CO -0.04 0.62 -0.04 -0.92 0.00 0.00 0.00 179.25 178.87 3ial h TYR 448 N 0.56 -0.09 -0.44 0.00 3.20 -0.69 -0.96 116.97 118.54 3ial h TYR 448 Ca 0.07 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3ial h TYR 448 Cb 0.76 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.99 3ial h TYR 448 CO 0.03 -0.06 0.02 0.87 -1.64 0.00 0.00 178.16 177.39 3ial h LYS 449 N -0.08 0.13 -0.41 1.82 1.57 -0.98 -1.22 116.57 117.40 3ial h LYS 449 Ca 0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3ial h LYS 449 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3ial h LYS 449 CO -0.01 0.09 -0.00 0.00 -0.57 0.00 0.00 179.45 178.96 3ial h ALA 450 N 1.38 1.24 -0.34 3.86 0.00 -1.07 0.36 119.26 124.68 3ial h ALA 450 Ca 0.22 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3ial h ALA 450 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ial h ALA 450 CO -0.35 0.51 -0.15 0.00 0.00 0.00 0.00 179.25 179.26 3ial h ARG 451 N 0.62 0.71 -0.54 0.00 3.08 -0.87 -1.82 114.38 115.56 3ial h ARG 451 Ca 0.13 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.89 3ial h ARG 451 Cb 0.39 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3ial h ARG 451 CO 0.01 0.91 0.34 -0.07 -1.07 0.00 0.00 179.97 180.09 3ial h LEU 452 N 0.49 0.57 0.08 3.04 3.38 -0.81 -1.95 115.31 120.10 3ial h LEU 452 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ial h LEU 452 Cb 0.69 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ial h LEU 452 CO 0.05 0.41 -0.04 0.50 0.09 0.00 0.00 178.44 179.45 3ial h LYS 453 N 0.69 -0.10 -0.79 1.13 3.64 -0.91 0.74 116.57 120.97 3ial h LYS 453 Ca 0.21 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3ial h LYS 453 Cb -0.03 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3ial h LYS 453 CO -0.07 -0.03 0.51 1.49 -2.27 0.00 0.00 179.45 179.08 3ial h GLU 454 N -0.15 0.97 -0.35 1.90 4.57 -1.26 0.72 114.58 120.98 3ial h GLU 454 Ca -0.01 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 57.94 3ial h GLU 454 Cb 0.12 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3ial h GLU 454 CO 0.02 0.64 -0.45 -0.22 -1.18 0.00 0.00 179.01 177.82 3ial h LYS 455 N 1.00 0.92 -0.42 1.92 3.64 -1.14 -1.64 116.57 120.84 3ial h LYS 455 Ca 0.31 -0.52 -0.09 0.00 -1.27 0.00 0.00 60.65 59.09 3ial h LYS 455 Cb -0.01 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3ial h LYS 455 CO -0.10 1.17 -0.07 0.00 -2.27 0.00 0.00 179.45 178.18 3ial h ALA 456 N 0.73 0.58 -0.45 5.00 0.00 -0.53 -1.75 119.26 122.85 3ial h ALA 456 Ca 0.04 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3ial h ALA 456 Cb 1.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ial h ALA 456 CO 0.11 0.43 -0.22 0.74 0.00 0.00 0.00 179.25 180.31 3ial h PHE 457 N 0.62 1.04 -0.74 0.00 -1.00 -0.88 -1.40 116.94 114.58 3ial h PHE 457 Ca 0.11 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.63 3ial h PHE 457 Cb 0.59 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 3ial h PHE 457 CO 0.05 1.03 0.42 0.00 -1.61 0.00 0.00 178.31 178.19 3ial h ALA 458 N 0.96 0.94 -0.31 2.45 0.00 -1.25 0.00 119.26 122.05 3ial h ALA 458 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ial h ALA 458 Cb 0.77 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ial h ALA 458 CO 0.06 0.44 0.19 0.35 0.00 0.00 0.00 179.25 180.29 3ial h PHE 459 N 1.01 0.42 0.14 0.00 3.57 -0.97 -0.04 116.94 121.06 3ial h PHE 459 Ca 0.26 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3ial h PHE 459 Cb 0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3ial h PHE 459 CO -0.00 0.31 -0.15 1.25 -2.23 0.00 0.00 178.31 177.48 3ial h HIS 460 N 0.40 -0.39 -0.73 0.41 2.76 -1.02 -2.58 115.15 114.00 3ial h HIS 460 Ca 0.11 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 3ial h HIS 460 Cb 0.02 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 3ial h HIS 460 CO -0.04 -0.23 0.48 -0.91 -1.30 0.00 0.00 177.93 175.93 3ial h ASN 461 N -0.33 0.68 0.87 3.26 2.35 -0.74 0.46 115.58 122.13 3ial h ASN 461 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ial h ASN 461 Cb 0.32 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3ial h ASN 461 CO -0.05 0.44 0.00 0.77 -1.65 0.00 0.00 177.43 176.94 3ial h SER 462 N 0.77 0.00 -0.50 5.81 4.64 -0.83 -3.13 113.55 120.30 3ial h SER 462 Ca 0.31 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.41 3ial h SER 462 Cb 0.24 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.20 3ial h SER 462 CO -0.10 0.00 0.11 0.23 -0.87 0.00 0.00 176.83 176.20 3ial n MET 463 N -2.77 2.27 -4.07 4.77 2.81 0.14 -4.79 117.12 115.50 3ial n MET 463 Ca 0.01 -3.09 -0.32 0.00 -1.81 0.00 0.00 57.70 52.49 3ial n MET 463 Cb 0.27 -1.93 -0.16 0.00 -0.71 0.00 0.00 33.22 30.69 3ial n MET 463 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ial s VAL 464 N -3.17 2.01 -0.13 2.03 1.01 -1.16 -0.09 120.40 120.90 3ial s VAL 464 Ca 0.48 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3ial s VAL 464 Cb 0.41 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3ial s VAL 464 CO 0.05 0.18 -0.20 -0.89 0.00 0.00 0.00 175.10 174.25 3ial s THR 465 N 1.23 1.86 0.12 3.92 2.01 -0.36 -4.97 115.64 119.44 3ial s THR 465 Ca -0.03 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 3ial s THR 465 Cb -0.17 -1.66 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 3ial s THR 465 CO -0.08 0.51 1.10 0.20 -0.69 0.00 0.00 174.62 175.66 3ial s ASN 466 N 0.90 7.24 -0.01 3.53 0.01 -1.26 -0.34 114.94 125.01 3ial s ASN 466 Ca -0.06 2.00 0.03 0.00 -0.71 0.00 0.00 52.86 54.11 3ial s ASN 466 Cb -0.15 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 3ial s ASN 466 CO -0.02 -0.28 -0.10 0.00 -1.51 0.00 0.00 177.10 175.18 3ial n LYS 468 N 2.85 2.88 -3.57 0.00 5.02 -1.26 -4.39 118.16 119.68 3ial n LYS 468 Ca -0.14 -2.10 -0.08 0.00 -2.02 0.00 0.00 58.31 53.97 3ial n LYS 468 Cb 0.56 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.25 3ial n LYS 468 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ial s SER 469 N -1.05 -0.37 0.18 4.39 1.04 -1.26 -4.65 113.70 111.98 3ial s SER 469 Ca 0.24 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.39 3ial s SER 469 Cb 0.13 0.49 0.15 0.00 0.10 0.00 0.00 66.02 66.90 3ial s SER 469 CO 0.15 -0.83 1.72 0.15 0.98 0.00 0.00 173.24 175.41 3ial h PHE 470 N 2.00 0.12 -0.74 5.02 3.57 -1.93 -2.09 116.94 122.89 3ial h PHE 470 Ca -0.25 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 3ial h PHE 470 Cb 1.26 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 3ial h PHE 470 CO 0.29 -0.01 0.40 -0.44 -2.23 0.00 0.00 178.31 176.32 3ial h ASP 471 N 0.21 0.93 -0.49 0.41 3.32 -1.96 -1.41 116.42 117.43 3ial h ASP 471 Ca 0.22 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3ial h ASP 471 Cb 0.29 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3ial h ASP 471 CO -0.30 0.76 0.00 -0.33 -1.72 0.00 0.00 179.24 177.65 3ial h GLU 472 N 1.02 0.91 -0.28 3.56 5.08 -1.89 -0.40 114.58 122.58 3ial h GLU 472 Ca 0.26 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3ial h GLU 472 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ial h GLU 472 CO -0.04 0.91 0.10 0.82 -1.00 0.00 0.00 179.01 179.79 3ial h ILE 473 N 0.85 1.19 -0.25 3.13 2.04 -1.07 -2.00 117.51 121.40 3ial h ILE 473 Ca 0.16 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3ial h ILE 473 Cb 0.50 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3ial h ILE 473 CO 0.02 0.20 0.12 0.58 0.00 0.00 0.00 178.15 179.08 3ial h VAL 474 N 0.29 1.15 -0.43 1.67 2.07 -1.08 -1.38 116.25 118.54 3ial h VAL 474 Ca 0.09 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3ial h VAL 474 Cb 0.22 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3ial h VAL 474 CO -0.00 0.15 0.17 0.00 0.02 0.00 0.00 177.57 177.90 3ial h ALA 475 N 0.98 1.50 0.32 1.67 0.00 -1.09 -0.86 119.26 121.78 3ial h ALA 475 Ca 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ial h ALA 475 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ial h ALA 475 CO -0.01 0.39 -0.15 0.00 0.00 0.00 0.00 179.25 179.47 3ial h ILE 477 N -0.67 0.66 -0.10 0.00 1.08 -1.05 0.27 117.51 117.70 3ial h ILE 477 Ca -0.04 -0.04 -0.07 0.00 -0.39 0.00 0.00 64.86 64.32 3ial h ILE 477 Cb 0.47 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 3ial h ILE 477 CO 0.07 0.02 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.03 3ial h GLU 478 N 0.11 0.31 0.00 2.37 5.08 -1.13 -3.11 114.58 118.21 3ial h GLU 478 Ca 0.22 -0.20 -0.30 0.00 -1.00 0.00 0.00 59.36 58.08 3ial h GLU 478 Cb 0.32 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3ial h GLU 478 CO -0.36 0.79 -1.79 0.09 -1.00 0.00 0.00 179.01 176.74 3ial n ASN 479 N -4.53 0.79 -0.02 1.42 3.02 0.10 -4.68 115.26 111.36 3ial n ASN 479 Ca -0.07 0.36 -0.03 0.00 -0.03 0.00 0.00 54.58 54.82 3ial n ASN 479 Cb 0.41 0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.61 3ial n ASN 479 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ial n LYS 480 N -3.02 0.08 0.00 3.52 4.81 0.09 -5.06 118.16 118.57 3ial n LYS 480 Ca -0.19 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 3ial n LYS 480 Cb 1.06 -0.94 0.00 0.00 0.02 0.00 0.00 35.03 35.17 3ial n LYS 480 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ial n GLY 481 N 3.19 -1.82 7.00 3.14 0.00 0.73 -4.88 105.19 112.55 3ial n GLY 481 Ca -0.06 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3ial n GLY 481 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ial n GLY 482 N 0.00 -0.33 3.80 -0.02 0.00 0.82 -4.69 105.19 104.77 3ial n GLY 482 Ca 0.00 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 3ial n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ial s LEU 483 N 0.00 4.32 -0.29 0.99 1.43 0.87 -4.55 118.68 121.45 3ial s LEU 483 Ca 0.00 0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.49 3ial s LEU 483 Cb 0.00 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3ial s LEU 483 CO 0.00 0.26 0.13 0.00 0.23 0.00 0.00 176.35 176.97 3ial s ALA 484 N -0.29 3.26 -0.17 4.21 0.00 0.26 -1.22 121.76 127.82 3ial s ALA 484 Ca 0.15 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 3ial s ALA 484 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3ial s ALA 484 CO 0.04 -0.75 0.07 0.50 0.00 0.00 0.00 175.76 175.61 3ial s ARG 485 N 1.63 3.83 -0.19 0.00 3.52 0.54 -0.76 118.95 127.52 3ial s ARG 485 Ca 0.05 -0.32 -0.18 0.00 -0.13 0.00 0.00 55.73 55.15 3ial s ARG 485 Cb -0.16 -3.18 0.05 0.00 -1.56 0.00 0.00 34.95 30.10 3ial s ARG 485 CO 0.06 0.38 0.51 -0.59 -0.81 0.00 0.00 175.30 174.85 3ial s PHE 486 N 0.08 -0.56 0.45 5.12 -0.12 -0.43 -0.18 117.98 122.34 3ial s PHE 486 Ca 0.06 1.35 -0.24 0.00 -0.05 0.00 0.00 56.93 58.04 3ial s PHE 486 Cb -0.12 0.20 -0.08 0.00 -0.63 0.00 0.00 43.02 42.39 3ial s PHE 486 CO 0.01 -0.28 1.30 -1.25 -0.05 0.00 0.00 175.22 174.94 3ial s PRO 487 N 0.20 3.73 -0.01 1.99 0.04 -1.26 -0.52 135.00 139.17 3ial s PRO 487 Ca -0.01 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 3ial s PRO 487 Cb -0.04 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3ial s PRO 487 CO 0.01 -0.67 0.19 0.12 0.04 0.00 0.00 177.00 176.68 3ial s PHE 488 N -1.32 -0.05 -0.84 0.56 5.36 0.10 -0.74 117.98 121.06 3ial s PHE 488 Ca 0.61 0.06 0.27 0.00 -0.96 0.00 0.00 56.93 56.91 3ial s PHE 488 Cb -0.37 0.00 0.96 0.00 -0.34 0.00 0.00 43.02 43.27 3ial s PHE 488 CO 0.46 -0.28 1.82 2.48 -1.46 0.00 0.00 175.22 178.24 3ial n TYR 489 N 1.63 0.55 -3.61 10.12 0.18 -1.26 -1.62 117.16 123.15 3ial n TYR 489 Ca -0.21 0.16 -0.15 0.00 1.88 0.00 0.00 57.90 59.58 3ial n TYR 489 Cb 0.56 -0.75 -0.07 0.00 -0.38 0.00 0.00 39.34 38.70 3ial n TYR 489 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3ial s THR 490 N -3.06 0.03 -1.16 -3.48 -1.32 -1.26 -4.38 115.64 101.01 3ial s THR 490 Ca 0.12 -0.22 0.12 0.00 -1.21 0.00 0.00 61.69 60.49 3ial s THR 490 Cb 0.15 -0.88 0.27 0.00 -1.51 0.00 0.00 72.50 70.53 3ial s THR 490 CO 0.58 -0.12 1.16 0.35 -2.21 0.00 0.00 174.62 174.38 3ial n THR 491 N 0.87 0.71 -2.64 5.08 -2.24 -1.26 -4.85 114.28 109.96 3ial n THR 491 Ca -0.20 -0.86 -0.23 0.00 -2.27 0.00 0.00 64.05 60.50 3ial n THR 491 Cb 0.58 0.72 0.10 0.00 -2.10 0.00 0.00 70.33 69.63 3ial n THR 491 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ial s GLU 492 N -1.00 1.75 0.48 -0.78 2.02 -1.26 -4.59 118.70 115.32 3ial s GLU 492 Ca 0.22 -1.17 0.14 0.00 0.02 0.00 0.00 54.97 54.18 3ial s GLU 492 Cb 0.12 -2.37 1.11 0.00 0.10 0.00 0.00 34.13 33.10 3ial s GLU 492 CO 0.17 -1.38 2.09 0.00 0.02 0.00 0.00 175.26 176.16 3ial h ALA 493 N -0.44 1.86 0.00 5.21 0.00 -1.98 -2.12 119.26 121.79 3ial h ALA 493 Ca -0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ial h ALA 493 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ial h ALA 493 CO 0.40 0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 3ial n ASP 494 N -4.47 0.35 0.31 0.00 5.68 -1.26 -2.02 116.55 115.15 3ial n ASP 494 Ca -0.02 0.62 0.20 0.00 -0.50 0.00 0.00 54.79 55.09 3ial n ASP 494 Cb 0.13 -0.68 1.00 0.00 -1.14 0.00 0.00 41.12 40.43 3ial n ASP 494 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3ial h GLY 495 N 1.32 0.00 1.81 6.12 0.00 -1.71 -2.94 103.07 107.68 3ial h GLY 495 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3ial h GLY 495 CO 0.00 0.00 0.07 -2.09 0.00 0.00 0.00 176.54 174.52 3ial h GLU 496 N 0.00 0.00 -0.73 4.80 4.81 -1.64 -1.96 114.58 119.86 3ial h GLU 496 Ca -0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3ial h GLU 496 Cb 0.21 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 3ial h GLU 496 CO 0.00 0.00 0.36 0.28 -0.73 0.00 0.00 179.01 178.92 3ial h VAL 497 N 0.00 0.83 -0.01 0.32 2.07 -1.77 -1.21 116.25 116.48 3ial h VAL 497 Ca 0.04 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 3ial h VAL 497 Cb 0.18 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3ial h VAL 497 CO -0.00 0.11 -0.77 -0.50 0.02 0.00 0.00 177.57 176.42 3ial h TRP 498 N 0.60 0.20 -0.47 1.57 4.06 -1.59 -2.74 115.95 117.58 3ial h TRP 498 Ca 0.37 -0.10 0.05 0.00 2.06 0.00 0.00 58.89 61.26 3ial h TRP 498 Cb 0.41 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.50 3ial h TRP 498 CO -0.11 0.86 0.21 0.22 -3.56 0.00 0.00 178.44 176.06 3ial h ASP 499 N 0.09 0.29 -0.52 -3.49 3.58 -1.07 -1.61 116.42 113.68 3ial h ASP 499 Ca -0.02 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 3ial h ASP 499 Cb 1.36 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.37 3ial h ASP 499 CO 0.11 0.20 0.17 0.11 -2.88 0.00 0.00 179.24 176.96 3ial h LYS 500 N 0.43 0.80 -0.90 0.28 1.57 -1.19 -0.88 116.57 116.68 3ial h LYS 500 Ca 0.21 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3ial h LYS 500 Cb 0.15 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3ial h LYS 500 CO -0.17 0.73 0.52 0.87 -0.57 0.00 0.00 179.45 180.83 3ial h LYS 501 N 0.71 1.24 -0.28 3.15 1.57 -1.27 -0.85 116.57 120.83 3ial h LYS 501 Ca 0.17 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3ial h LYS 501 Cb 0.26 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ial h LYS 501 CO -0.01 0.89 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.51 3ial h LEU 502 N 1.25 0.65 -0.51 2.94 3.38 -1.12 -1.35 115.31 120.55 3ial h LEU 502 Ca 0.32 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ial h LEU 502 Cb -0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3ial h LEU 502 CO -0.06 0.94 0.25 0.11 0.09 0.00 0.00 178.44 179.77 3ial h LYS 503 N 0.36 0.46 -0.32 1.13 1.57 -0.50 -1.07 116.57 118.20 3ial h LYS 503 Ca 0.06 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3ial h LYS 503 Cb 0.72 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3ial h LYS 503 CO 0.05 0.31 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.73 3ial h ASP 504 N 0.48 0.51 0.16 0.86 3.32 -1.02 0.13 116.42 120.85 3ial h ASP 504 Ca 0.23 -0.12 -0.27 0.00 0.02 0.00 0.00 57.03 56.89 3ial h ASP 504 Cb 0.16 -0.13 0.03 0.00 0.22 0.00 0.00 39.33 39.61 3ial h ASP 504 CO -0.18 0.63 -1.16 0.00 -1.72 0.00 0.00 179.24 176.81 3ial h ALA 505 N 1.43 -0.07 0.00 3.45 0.00 -0.85 -3.42 119.26 119.80 3ial h ALA 505 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ial h ALA 505 Cb 0.43 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ial h ALA 505 CO 0.02 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3ial n SER 507 N 0.00 -4.72 -4.90 0.00 7.64 0.44 -4.92 113.62 107.16 3ial n SER 507 Ca 0.00 0.34 -0.30 0.00 1.01 0.00 0.00 58.87 59.92 3ial n SER 507 Cb 0.50 -3.43 -0.04 0.00 -1.01 0.00 0.00 64.21 60.24 3ial n SER 507 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ial s ALA 508 N -2.49 3.93 0.13 -0.43 0.00 -1.25 -4.55 121.76 117.10 3ial s ALA 508 Ca 0.00 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.15 3ial s ALA 508 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3ial s ALA 508 CO 0.00 0.76 -0.22 -1.83 0.00 0.00 0.00 175.76 174.47 3ial s GLU 509 N -2.63 1.27 -0.18 0.00 -1.05 0.15 -1.97 118.70 114.28 3ial s GLU 509 Ca 0.34 -1.30 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 3ial s GLU 509 Cb -0.12 -1.56 -0.02 0.00 -0.44 0.00 0.00 34.13 31.99 3ial s GLU 509 CO 0.27 0.35 1.37 0.42 0.95 0.00 0.00 175.26 178.63 3ial s ILE 510 N -1.36 4.07 -0.11 1.83 1.01 -1.26 -1.27 121.20 124.11 3ial s ILE 510 Ca 0.12 1.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.94 3ial s ILE 510 Cb -0.09 -3.91 -0.26 0.00 0.01 0.00 0.00 42.46 38.20 3ial s ILE 510 CO 0.06 -0.21 0.43 0.03 0.00 0.00 0.00 174.94 175.24 3ial h ARG 511 N 8.94 0.26 0.00 2.79 2.47 -0.84 -3.44 114.38 124.57 3ial h ARG 511 Ca -0.29 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 57.98 3ial h ARG 511 Cb 1.12 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3ial h ARG 511 CO 0.98 1.21 0.00 0.41 0.56 0.00 0.00 179.97 183.14 3ial n GLY 512 N 1.88 -0.70 3.29 0.04 0.00 -1.19 -2.18 105.19 106.33 3ial n GLY 512 Ca -0.30 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 3ial n GLY 512 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ial s HIS 513 N -2.85 1.42 -0.39 1.61 -3.43 -1.02 -0.45 115.29 110.19 3ial s HIS 513 Ca 0.00 -0.77 -0.14 0.00 -0.80 0.00 0.00 55.06 53.35 3ial s HIS 513 Cb 0.00 -0.74 0.01 0.00 -1.43 0.00 0.00 32.58 30.42 3ial s HIS 513 CO 0.00 0.10 0.29 1.21 -2.00 0.00 0.00 174.74 174.34 3ial s ASN 514 N -3.23 6.10 0.55 7.38 3.84 -1.26 0.34 114.94 128.67 3ial s ASN 514 Ca 0.21 -0.72 0.29 0.00 0.21 0.00 0.00 52.86 52.84 3ial s ASN 514 Cb 0.03 -2.16 1.63 0.00 -0.55 0.00 0.00 41.25 40.20 3ial s ASN 514 CO 0.04 -0.38 2.15 -0.65 -2.79 0.00 0.00 177.10 175.47 3ial h PRO 515 N 8.59 0.00 0.00 0.43 0.11 -1.96 -1.56 132.00 137.61 3ial h PRO 515 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ial h PRO 515 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ial h PRO 515 CO 0.70 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 3ial n ASP 516 N -3.69 0.42 -4.62 -2.05 8.00 -1.26 -4.57 116.55 108.78 3ial n ASP 516 Ca -0.02 0.58 -0.41 0.00 0.71 0.00 0.00 54.79 55.65 3ial n ASP 516 Cb 0.17 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.54 3ial n ASP 516 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ial s GLU 517 N -3.14 4.03 -0.20 -1.24 2.02 -0.59 -5.05 118.70 114.53 3ial s GLU 517 Ca 0.08 0.54 -0.11 0.00 0.02 0.00 0.00 54.97 55.50 3ial s GLU 517 Cb 0.11 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 3ial s GLU 517 CO 0.42 -0.53 0.16 -0.80 0.02 0.00 0.00 175.26 174.53 3ial s ASN 518 N 1.53 6.24 0.37 -0.19 0.01 -1.26 -4.80 114.94 116.85 3ial s ASN 518 Ca 0.28 0.27 -0.26 0.00 -0.71 0.00 0.00 52.86 52.44 3ial s ASN 518 Cb -0.15 -2.11 -0.09 0.00 0.41 0.00 0.00 41.25 39.31 3ial s ASN 518 CO 0.10 0.15 1.14 0.54 -1.51 0.00 0.00 177.10 177.52 3ial s VAL 519 N 0.44 3.31 0.29 1.60 0.11 -1.26 -5.00 120.40 119.89 3ial s VAL 519 Ca 0.09 1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.98 3ial s VAL 519 Cb -0.12 -3.65 -0.10 0.00 -1.53 0.00 0.00 36.38 30.99 3ial s VAL 519 CO -0.00 0.13 1.17 -0.76 -3.33 0.00 0.00 175.10 172.31 3ial s LEU 520 N -2.27 4.51 0.49 2.54 1.43 -1.26 -4.98 118.68 119.13 3ial s LEU 520 Ca 0.54 2.39 -0.23 0.00 -1.03 0.00 0.00 54.13 55.80 3ial s LEU 520 Cb -0.30 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.23 3ial s LEU 520 CO 0.38 -0.28 1.31 -2.16 0.23 0.00 0.00 176.35 175.83 3ial s PRO 521 N -1.43 3.48 0.00 1.29 0.04 -1.26 -2.72 135.00 134.40 3ial s PRO 521 Ca 0.47 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.64 3ial s PRO 521 Cb -0.34 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3ial s PRO 521 CO 0.44 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 177.01 3ial n GLY 522 N 0.63 1.25 3.78 0.56 0.00 -1.26 -5.02 105.19 105.13 3ial n GLY 522 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3ial n GLY 522 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ial s GLU 523 N -0.07 4.07 0.13 1.61 2.12 -1.10 -4.96 118.70 120.51 3ial s GLU 523 Ca 0.00 1.63 0.08 0.00 0.36 0.00 0.00 54.97 57.03 3ial s GLU 523 Cb 0.00 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 3ial s GLU 523 CO 0.00 -0.25 -0.09 0.14 -0.54 0.00 0.00 175.26 174.52 3ial s VAL 524 N -1.58 3.34 0.14 3.70 -7.23 -1.26 -1.25 120.40 116.25 3ial s VAL 524 Ca 0.59 -1.40 -0.31 0.00 -1.81 0.00 0.00 61.98 59.04 3ial s VAL 524 Cb -0.25 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 33.99 3ial s VAL 524 CO 0.31 0.03 1.64 0.00 -0.31 0.00 0.00 175.10 176.77 3ial h ALA 526 N 7.46 1.46 0.00 0.00 0.00 -1.20 -2.43 119.26 124.54 3ial h ALA 526 Ca -0.43 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 3ial h ALA 526 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3ial h ALA 526 CO 0.93 -0.07 -2.09 1.28 0.00 0.00 0.00 179.25 179.29 3ial n LEU 527 N -3.63 2.78 -0.02 0.00 4.77 -1.26 -3.92 117.00 115.72 3ial n LEU 527 Ca -0.02 -0.06 0.08 0.00 -0.03 0.00 0.00 56.01 55.98 3ial n LEU 527 Cb 0.14 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.42 3ial n LEU 527 CO 0.25 0.77 -0.77 -1.54 -1.33 0.00 0.00 177.39 174.77 3ial n SER 528 N -3.17 0.58 0.00 -1.43 3.41 -1.25 -4.95 113.62 106.81 3ial n SER 528 Ca -0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 3ial n SER 528 Cb 0.85 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 66.57 3ial n SER 528 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ial n GLY 529 N 1.46 2.01 3.73 5.00 0.00 -0.91 -5.03 105.19 111.45 3ial n GLY 529 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3ial n GLY 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ial s LYS 530 N -0.23 0.68 0.35 1.61 1.02 -1.26 -4.53 119.74 117.38 3ial s LYS 530 Ca 0.00 0.34 -0.28 0.00 0.02 0.00 0.00 55.97 56.04 3ial s LYS 530 Cb 0.00 -1.78 -0.11 0.00 -0.52 0.00 0.00 37.83 35.42 3ial s LYS 530 CO 0.00 -2.52 1.43 -2.14 -0.92 0.00 0.00 175.35 171.20 3ial s PRO 531 N -5.17 4.20 0.09 -1.68 0.02 -1.26 0.10 135.00 131.30 3ial s PRO 531 Ca 0.65 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.86 3ial s PRO 531 Cb -0.16 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 3ial s PRO 531 CO 0.55 -0.42 0.79 0.00 -0.33 0.00 0.00 177.00 177.59 3ial s ALA 532 N -1.01 3.38 -0.60 -1.55 0.00 -0.38 -4.32 121.76 117.28 3ial s ALA 532 Ca 0.52 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.89 3ial s ALA 532 Cb -0.44 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3ial s ALA 532 CO 0.58 0.12 0.49 1.33 0.00 0.00 0.00 175.76 178.28 3ial n VAL 533 N 2.46 0.00 -3.75 0.00 0.24 -0.64 -4.84 118.33 111.79 3ial n VAL 533 Ca -0.03 -0.42 -0.03 0.00 -2.04 0.00 0.00 64.34 61.82 3ial n VAL 533 Cb 0.50 1.07 -0.01 0.00 -1.47 0.00 0.00 33.84 33.92 3ial n VAL 533 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ial s TYR 535 N -3.25 3.17 0.46 0.00 2.02 -1.26 -0.72 117.35 117.77 3ial s TYR 535 Ca 0.12 -0.79 -0.10 0.00 -0.37 0.00 0.00 57.07 55.93 3ial s TYR 535 Cb -0.01 -2.31 -0.06 0.00 -0.40 0.00 0.00 41.96 39.18 3ial s TYR 535 CO 0.02 -0.53 0.82 -1.64 -1.57 0.00 0.00 175.55 172.66 3ial s MET 536 N 1.55 3.72 -0.11 -0.62 -1.94 0.33 -4.22 119.30 118.01 3ial s MET 536 Ca 0.03 0.48 0.03 0.00 -1.71 0.00 0.00 55.69 54.53 3ial s MET 536 Cb -0.17 -2.33 0.01 0.00 2.01 0.00 0.00 34.83 34.34 3ial s MET 536 CO 0.04 -0.16 -0.22 0.71 -0.01 0.00 0.00 175.02 175.39 3ial s TYR 537 N -2.57 2.48 0.06 -0.03 2.02 0.41 -1.32 117.35 118.40 3ial s TYR 537 Ca 0.51 -1.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.19 3ial s TYR 537 Cb -0.10 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3ial s TYR 537 CO 0.37 -0.48 -0.19 0.00 -1.57 0.00 0.00 175.55 173.68 3ial s ALA 539 N -0.95 -1.85 0.16 0.00 0.00 -0.39 -0.57 121.76 118.15 3ial s ALA 539 Ca 0.15 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 3ial s ALA 539 Cb -0.10 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 3ial s ALA 539 CO 0.06 -0.57 1.16 0.15 0.00 0.00 0.00 175.76 176.55 3ial s LYS 540 N -2.50 4.52 0.18 0.00 1.02 -1.26 -0.67 119.74 121.03 3ial s LYS 540 Ca 0.02 1.79 0.08 0.00 0.02 0.00 0.00 55.97 57.88 3ial s LYS 540 Cb -0.01 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3ial s LYS 540 CO -0.05 -0.05 -0.04 0.45 -0.92 0.00 0.00 175.35 174.74 3ial s SER 541 N 0.20 4.56 0.00 2.83 0.15 -1.26 -0.29 113.70 119.88 3ial s SER 541 Ca 0.52 -0.47 0.28 0.00 0.70 0.00 0.00 55.95 56.98 3ial s SER 541 Cb -0.31 -0.89 1.67 0.00 -1.71 0.00 0.00 66.02 64.78 3ial s SER 541 CO 0.35 0.10 2.01 -1.22 1.20 0.00 0.00 173.24 175.67