#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icr s GLY 1 N 0.00 2.60 0.50 0.00 0.00 -1.26 -5.04 107.32 104.12 3icr s GLY 1 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.56 3icr s GLY 1 CO 0.00 0.97 1.29 -1.35 0.00 0.00 0.00 173.10 174.01 3icr s SER 2 N 0.34 5.69 0.17 1.64 1.04 -1.26 -5.04 113.70 116.28 3icr s SER 2 Ca 0.34 2.61 -0.00 0.00 0.48 0.00 0.00 55.95 59.38 3icr s SER 2 Cb -0.18 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 3icr s SER 2 CO 0.17 -1.27 0.06 0.00 0.98 0.00 0.00 173.24 173.19 3icr s ARG 3 N -2.75 1.07 -0.35 4.02 1.70 -1.26 -4.99 118.95 116.38 3icr s ARG 3 Ca 0.67 -1.53 -0.18 0.00 -0.47 0.00 0.00 55.73 54.22 3icr s ARG 3 Cb -0.36 0.10 -0.00 0.00 -0.57 0.00 0.00 34.95 34.11 3icr s ARG 3 CO 0.44 -0.26 0.51 0.21 -1.08 0.00 0.00 175.30 175.12 3icr s LYS 4 N -4.04 3.61 -0.18 3.89 2.20 -1.26 -1.68 119.74 122.28 3icr s LYS 4 Ca 0.28 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3icr s LYS 4 Cb 0.07 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3icr s LYS 4 CO 0.05 -0.65 -0.13 0.42 -0.36 0.00 0.00 175.35 174.69 3icr s ILE 5 N 2.39 2.75 -0.16 5.43 1.01 0.59 -0.99 121.20 132.23 3icr s ILE 5 Ca 0.19 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3icr s ILE 5 Cb -0.15 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3icr s ILE 5 CO 0.13 0.49 -0.08 -0.69 0.00 0.00 0.00 174.94 174.79 3icr s VAL 6 N 1.14 3.41 -0.17 2.92 1.01 -0.45 -1.40 120.40 126.85 3icr s VAL 6 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3icr s VAL 6 Cb -0.14 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3icr s VAL 6 CO -0.04 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.75 3icr s VAL 7 N 0.56 2.98 -0.36 2.92 1.01 0.97 -0.07 120.40 128.41 3icr s VAL 7 Ca -0.06 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3icr s VAL 7 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3icr s VAL 7 CO 0.03 0.49 0.25 -0.69 0.00 0.00 0.00 175.10 175.18 3icr s VAL 8 N 0.96 5.24 0.00 2.92 1.01 0.15 -0.48 120.40 130.20 3icr s VAL 8 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3icr s VAL 8 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3icr s VAL 8 CO -0.01 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3icr n GLY 9 N 5.11 1.95 0.60 4.51 0.00 0.76 -0.25 105.19 117.87 3icr n GLY 9 Ca -0.12 -1.43 0.05 0.00 0.00 0.00 0.00 46.02 44.52 3icr n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 10 N 2.59 5.06 0.00 -0.02 0.00 -1.26 -4.10 105.19 107.46 3icr n GLY 10 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3icr n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3icr n VAL 11 N -1.16 0.00 0.21 1.61 0.31 -1.26 -0.85 118.33 117.20 3icr n VAL 11 Ca 0.20 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.38 3icr n VAL 11 Cb 0.73 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.58 3icr n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3icr h ALA 12 N 0.27 -0.50 -0.03 3.52 0.00 -1.92 -0.46 119.26 120.15 3icr h ALA 12 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3icr h ALA 12 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3icr h ALA 12 CO 0.00 -0.74 -0.17 0.78 0.00 0.00 0.00 179.25 179.12 3icr h GLY 13 N -0.58 0.18 0.86 0.00 0.00 -1.88 -3.12 103.07 98.52 3icr h GLY 13 Ca -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3icr h GLY 13 CO 0.08 0.23 0.05 -1.33 0.00 0.00 0.00 176.54 175.57 3icr h GLY 14 N -0.43 0.40 1.44 4.60 0.00 -1.70 -1.85 103.07 105.52 3icr h GLY 14 Ca -0.01 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 3icr h GLY 14 CO 0.03 0.24 -0.45 0.00 0.00 0.00 0.00 176.54 176.37 3icr h ALA 15 N 0.86 0.77 -0.56 3.60 0.00 -1.25 -1.60 119.26 121.07 3icr h ALA 15 Ca 0.07 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3icr h ALA 15 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3icr h ALA 15 CO 0.00 0.66 0.05 0.66 0.00 0.00 0.00 179.25 180.63 3icr h SER 16 N 0.49 0.93 -0.39 0.00 4.64 -1.47 -2.17 113.55 115.58 3icr h SER 16 Ca 0.03 -0.28 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 3icr h SER 16 Cb 0.97 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3icr h SER 16 CO 0.09 0.98 -0.35 1.62 -0.87 0.00 0.00 176.83 178.30 3icr h VAL 17 N 0.85 1.27 -0.65 0.95 3.04 -1.30 -3.05 116.25 117.37 3icr h VAL 17 Ca 0.17 -1.52 -0.05 0.00 -1.01 0.00 0.00 66.70 64.28 3icr h VAL 17 Cb 0.47 1.37 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 3icr h VAL 17 CO 0.02 0.51 0.21 0.00 -1.01 0.00 0.00 177.57 177.30 3icr h ALA 18 N 0.78 0.85 -0.23 3.17 0.00 -1.22 -0.32 119.26 122.28 3icr h ALA 18 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3icr h ALA 18 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3icr h ALA 18 CO 0.09 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.92 3icr h ALA 19 N 1.08 0.31 -0.15 0.00 0.00 -1.44 -2.15 119.26 116.91 3icr h ALA 19 Ca 0.21 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3icr h ALA 19 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3icr h ALA 19 CO -0.01 -0.05 -0.57 -0.09 0.00 0.00 0.00 179.25 178.53 3icr h ARG 20 N 0.20 0.46 -0.79 0.00 9.65 -1.45 -2.47 114.38 119.99 3icr h ARG 20 Ca 0.07 -0.29 0.09 0.00 -1.10 0.00 0.00 59.98 58.75 3icr h ARG 20 Cb 0.26 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.81 3icr h ARG 20 CO -0.00 0.90 0.44 -0.07 2.80 0.00 0.00 179.97 184.04 3icr h LEU 21 N 0.35 0.62 -0.56 3.80 3.38 -0.97 -1.23 115.31 120.70 3icr h LEU 21 Ca 0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3icr h LEU 21 Cb 1.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3icr h LEU 21 CO 0.10 0.36 -0.15 -0.09 0.09 0.00 0.00 178.44 178.75 3icr h ARG 22 N 0.74 1.00 0.00 1.13 9.65 -1.23 -2.40 114.38 123.27 3icr h ARG 22 Ca 0.38 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3icr h ARG 22 Cb 0.35 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3icr h ARG 22 CO -0.25 1.07 -0.05 0.00 2.80 0.00 0.00 179.97 183.54 3icr h ARG 23 N 0.88 0.00 0.00 0.20 3.08 -0.91 -2.41 114.38 115.22 3icr h ARG 23 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3icr h ARG 23 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3icr h ARG 23 CO 0.06 0.05 -0.90 1.28 -1.07 0.00 0.00 179.97 179.39 3icr n LEU 24 N -3.55 0.76 -3.65 3.04 4.77 -0.53 -4.92 117.00 112.92 3icr n LEU 24 Ca -0.02 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 3icr n LEU 24 Cb 0.17 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3icr n LEU 24 CO 0.27 -0.11 0.30 -0.55 -1.33 0.00 0.00 177.39 175.97 3icr s SER 25 N -4.80 -0.89 0.38 -1.43 0.15 -0.91 -5.01 113.70 101.20 3icr s SER 25 Ca 0.02 1.43 0.22 0.00 0.70 0.00 0.00 55.95 58.32 3icr s SER 25 Cb 0.11 1.33 0.25 0.00 -1.71 0.00 0.00 66.02 66.01 3icr s SER 25 CO 0.77 -0.23 1.48 -0.33 1.20 0.00 0.00 173.24 176.13 3icr h GLU 26 N 7.06 0.00 0.00 5.44 4.39 -1.89 -3.38 114.58 126.20 3icr h GLU 26 Ca -0.30 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.15 3icr h GLU 26 Cb 1.22 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 3icr h GLU 26 CO 0.18 0.02 -1.60 -1.91 -1.16 0.00 0.00 179.01 174.54 3icr n GLU 27 N -3.02 0.63 -1.75 2.33 4.07 -1.26 -4.92 120.64 116.73 3icr n GLU 27 Ca 0.03 0.27 -0.40 0.00 -0.06 0.00 0.00 57.16 57.00 3icr n GLU 27 Cb 0.55 -1.80 0.02 0.00 -0.06 0.00 0.00 31.44 30.14 3icr n GLU 27 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3icr n ASP 28 N -2.99 3.11 -4.66 4.31 8.00 -1.26 -4.78 116.55 118.30 3icr n ASP 28 Ca -0.14 1.12 -0.40 0.00 0.71 0.00 0.00 54.79 56.07 3icr n ASP 28 Cb 0.97 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.44 3icr n ASP 28 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3icr s GLU 29 N -2.38 4.21 -0.19 -1.24 2.12 -0.67 -4.98 118.70 115.56 3icr s GLU 29 Ca 0.61 0.69 0.01 0.00 0.36 0.00 0.00 54.97 56.64 3icr s GLU 29 Cb -0.46 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.36 3icr s GLU 29 CO 0.58 -0.30 -0.18 0.42 -0.54 0.00 0.00 175.26 175.24 3icr s ILE 30 N 2.09 2.03 0.42 -3.70 1.01 -1.26 -0.30 121.20 121.49 3icr s ILE 30 Ca 0.30 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3icr s ILE 30 Cb -0.16 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.43 3icr s ILE 30 CO 0.10 0.45 0.06 -0.38 0.00 0.00 0.00 174.94 175.18 3icr n ILE 31 N 4.61 0.00 -3.44 2.92 5.41 -0.49 -0.74 119.36 127.62 3icr n ILE 31 Ca -0.20 -1.90 0.02 0.00 1.00 0.00 0.00 62.75 61.67 3icr n ILE 31 Cb 0.49 0.29 -0.05 0.00 -0.71 0.00 0.00 39.64 39.66 3icr n ILE 31 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3icr s VAL 33 N -2.43 -0.08 -0.04 1.39 1.01 0.36 -0.02 120.40 120.60 3icr s VAL 33 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3icr s VAL 33 Cb -0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3icr s VAL 33 CO 0.03 0.00 -0.02 -0.70 0.00 0.00 0.00 175.10 174.41 3icr s GLU 34 N 1.61 0.64 0.23 2.72 2.56 -0.26 -0.17 118.70 126.03 3icr s GLU 34 Ca -0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.97 54.96 3icr s GLU 34 Cb -0.02 -0.76 0.22 0.00 2.00 0.00 0.00 34.13 35.57 3icr s GLU 34 CO -0.14 -0.14 1.54 0.07 -0.56 0.00 0.00 175.26 176.03 3icr h ARG 35 N 7.42 0.19 0.00 4.30 0.11 -1.71 0.57 114.38 125.26 3icr h ARG 35 Ca -0.36 -0.14 -0.25 0.00 0.10 0.00 0.00 59.98 59.33 3icr h ARG 35 Cb 1.14 0.03 0.09 0.00 1.11 0.00 0.00 29.97 32.34 3icr h ARG 35 CO 0.43 0.77 0.20 0.41 0.10 0.00 0.00 179.97 181.89 3icr n GLY 36 N 0.37 -0.88 0.17 0.08 0.00 -1.26 -3.46 105.19 100.20 3icr n GLY 36 Ca -0.02 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.33 3icr n GLY 36 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3icr h GLU 37 N 0.00 0.00 -6.51 1.61 4.81 -1.94 0.27 114.58 112.82 3icr h GLU 37 Ca -0.23 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.33 3icr h GLU 37 Cb 0.68 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.79 3icr h GLU 37 CO 0.18 0.12 -0.87 0.71 -0.73 0.00 0.00 179.01 178.41 3icr s TYR 38 N -3.18 2.18 0.23 0.92 2.02 -1.26 -4.78 117.35 113.47 3icr s TYR 38 Ca 0.04 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 3icr s TYR 38 Cb 0.07 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 3icr s TYR 38 CO 0.73 0.06 0.30 0.96 -1.57 0.00 0.00 175.55 176.03 3icr s ILE 39 N -0.71 5.06 -1.59 2.71 -4.36 -1.26 -4.73 121.20 116.32 3icr s ILE 39 Ca 0.10 -1.04 -0.07 0.00 -0.26 0.00 0.00 60.65 59.39 3icr s ILE 39 Cb -0.10 -3.72 0.06 0.00 1.25 0.00 0.00 42.46 39.96 3icr s ILE 39 CO 0.01 -0.29 0.34 -1.20 0.24 0.00 0.00 174.94 174.04 3icr n SER 40 N -1.18 -0.52 -4.86 4.36 7.64 -0.03 -4.50 113.62 114.53 3icr n SER 40 Ca -0.08 -1.15 -0.31 0.00 1.01 0.00 0.00 58.87 58.33 3icr n SER 40 Cb 0.57 -2.20 -0.01 0.00 -1.01 0.00 0.00 64.21 61.56 3icr n SER 40 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3icr s PHE 41 N -3.91 3.55 -1.21 1.43 -0.12 -1.26 -1.37 117.98 115.09 3icr s PHE 41 Ca 0.25 1.36 -0.17 0.00 -0.05 0.00 0.00 56.93 58.33 3icr s PHE 41 Cb -0.14 -2.75 0.11 0.00 -0.63 0.00 0.00 43.02 39.62 3icr s PHE 41 CO 0.96 -0.55 1.55 0.00 -0.05 0.00 0.00 175.22 177.13 3icr s ALA 42 N -2.93 3.56 0.30 1.99 0.00 0.10 -4.82 121.76 119.97 3icr s ALA 42 Ca 0.57 -3.04 0.06 0.00 0.00 0.00 0.00 51.96 49.54 3icr s ALA 42 Cb -0.11 -4.38 0.77 0.00 0.00 0.00 0.00 23.12 19.40 3icr s ALA 42 CO 0.44 -3.08 1.75 -0.91 0.00 0.00 0.00 175.76 173.95 3icr h ASN 43 N 7.66 0.65 0.49 0.00 4.21 -1.91 0.74 115.58 127.42 3icr h ASN 43 Ca 0.35 0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.95 3icr h ASN 43 Cb 0.89 0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 38.10 3icr h ASN 43 CO 1.34 0.17 -0.16 0.00 -1.29 0.00 0.00 177.43 177.49 3icr h GLY 45 N 1.13 0.00 0.28 0.00 0.00 -1.25 -3.40 103.07 99.84 3icr h GLY 45 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.41 3icr h GLY 45 CO 0.02 0.00 0.02 1.41 0.00 0.00 0.00 176.54 177.99 3icr h LEU 46 N 0.00 -0.15 -1.41 3.11 3.38 -1.49 -0.84 115.31 117.91 3icr h LEU 46 Ca 0.00 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3icr h LEU 46 Cb 0.79 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3icr h LEU 46 CO 0.00 -0.04 0.47 -0.65 0.09 0.00 0.00 178.44 178.31 3icr h PRO 47 N 0.14 0.68 -0.00 1.13 0.11 -1.83 -2.15 132.00 130.08 3icr h PRO 47 Ca 0.23 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 3icr h PRO 47 Cb 0.33 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3icr h PRO 47 CO -0.36 0.45 -0.69 1.88 -0.21 0.00 0.00 178.00 179.06 3icr h TYR 48 N 0.70 0.04 -0.41 0.65 0.05 -1.47 -1.54 116.97 114.99 3icr h TYR 48 Ca 0.31 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.97 3icr h TYR 48 Cb 0.32 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3icr h TYR 48 CO -0.00 0.71 -0.15 -0.92 -1.05 0.00 0.00 178.16 176.76 3icr h TYR 49 N 0.02 0.95 -0.97 4.88 3.20 -0.88 0.69 116.97 124.86 3icr h TYR 49 Ca -0.01 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.64 3icr h TYR 49 Cb 1.23 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 3icr h TYR 49 CO 0.00 0.97 0.61 0.82 -1.64 0.00 0.00 178.16 178.93 3icr h ILE 50 N 0.65 1.26 0.00 1.81 2.04 -1.20 -2.25 117.51 119.82 3icr h ILE 50 Ca 0.10 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3icr h ILE 50 Cb 0.69 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3icr h ILE 50 CO 0.05 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.07 3icr n GLY 51 N -1.31 -1.09 2.26 5.37 0.00 -0.60 -4.89 105.19 104.93 3icr n GLY 51 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 3icr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 52 N 0.73 0.49 0.12 -0.02 0.00 -0.85 -4.46 105.19 101.21 3icr n GLY 52 Ca 0.10 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3icr n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3icr h VAL 53 N 0.00 1.49 -3.58 1.61 2.07 -1.18 -3.38 116.25 113.28 3icr h VAL 53 Ca -0.03 -2.41 -0.63 0.00 0.82 0.00 0.00 66.70 64.44 3icr h VAL 53 Cb 0.32 3.04 -0.13 0.00 -1.52 0.00 0.00 31.29 33.00 3icr h VAL 53 CO 0.05 0.69 0.25 -0.63 0.02 0.00 0.00 177.57 177.95 3icr s ILE 54 N -2.65 4.77 -0.51 4.57 1.01 -0.25 -4.93 121.20 123.21 3icr s ILE 54 Ca -0.13 0.52 0.23 0.00 0.00 0.00 0.00 60.65 61.27 3icr s ILE 54 Cb 0.02 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3icr s ILE 54 CO 0.83 -0.51 1.11 0.35 0.00 0.00 0.00 174.94 176.73 3icr n THR 55 N 5.84 0.33 -3.86 2.92 -2.24 -1.26 -4.24 114.28 111.77 3icr n THR 55 Ca 0.01 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 3icr n THR 55 Cb 0.48 -0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 3icr n THR 55 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3icr s GLU 56 N -3.24 2.26 0.30 -0.78 2.12 -1.26 -4.97 118.70 113.13 3icr s GLU 56 Ca 0.03 -1.47 0.06 0.00 0.36 0.00 0.00 54.97 53.95 3icr s GLU 56 Cb 0.13 -3.33 0.79 0.00 0.26 0.00 0.00 34.13 31.97 3icr s GLU 56 CO 0.77 -0.79 1.72 -0.09 -0.54 0.00 0.00 175.26 176.34 3icr h ARG 57 N 8.01 0.49 0.00 4.30 2.43 -1.99 -0.42 114.38 127.20 3icr h ARG 57 Ca -0.18 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3icr h ARG 57 Cb 1.06 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3icr h ARG 57 CO 0.59 0.32 -0.10 0.37 -1.51 0.00 0.00 179.97 179.64 3icr h GLN 58 N 0.50 0.00 0.00 0.20 5.75 -1.97 -1.09 115.11 118.50 3icr h GLN 58 Ca 0.59 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.09 3icr h GLN 58 Cb 1.10 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.65 3icr h GLN 58 CO -0.49 0.10 -0.00 0.87 -2.65 0.00 0.00 178.83 176.66 3icr h LYS 59 N 0.00 0.00 0.00 1.69 1.57 -1.49 -1.35 116.57 116.99 3icr h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3icr h LYS 59 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3icr h LYS 59 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 3icr n LEU 60 N -3.15 0.25 -4.44 2.94 4.77 -0.41 -4.51 117.00 112.44 3icr n LEU 60 Ca -0.03 0.55 -0.44 0.00 -0.03 0.00 0.00 56.01 56.06 3icr n LEU 60 Cb 0.10 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3icr n LEU 60 CO 0.22 -0.26 0.34 -0.76 -1.33 0.00 0.00 177.39 175.59 3icr s LEU 61 N -3.52 4.99 0.14 2.23 1.43 -0.51 0.03 118.68 123.47 3icr s LEU 61 Ca 0.08 -0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 52.20 3icr s LEU 61 Cb 0.12 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 3icr s LEU 61 CO 0.39 -0.90 1.36 0.58 0.23 0.00 0.00 176.35 178.01 3icr h VAL 62 N 5.86 1.37 -3.78 -1.59 2.07 -1.45 -3.44 116.25 115.29 3icr h VAL 62 Ca -0.28 -2.24 -0.25 0.00 0.82 0.00 0.00 66.70 64.75 3icr h VAL 62 Cb 1.09 2.22 -0.28 0.00 -1.52 0.00 0.00 31.29 32.80 3icr h VAL 62 CO 0.97 0.68 -0.73 -1.10 0.02 0.00 0.00 177.57 177.41 3icr s GLN 63 N -3.49 0.12 0.22 1.57 -1.52 -1.23 -5.09 119.66 110.23 3icr s GLN 63 Ca -0.07 -0.06 -0.01 0.00 -1.95 0.00 0.00 55.36 53.27 3icr s GLN 63 Cb 0.09 -0.11 -0.04 0.00 -0.22 0.00 0.00 33.01 32.73 3icr s GLN 63 CO 0.86 0.03 0.42 0.95 -0.25 0.00 0.00 175.29 177.30 3icr s THR 64 N -0.06 5.17 0.20 -0.19 -4.23 -1.26 -4.60 115.64 110.67 3icr s THR 64 Ca 0.00 -0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.11 3icr s THR 64 Cb -0.01 -3.73 0.12 0.00 1.34 0.00 0.00 72.50 70.22 3icr s THR 64 CO -0.00 -0.20 1.74 0.58 -0.54 0.00 0.00 174.62 176.20 3icr h VAL 65 N 1.51 0.79 0.49 2.29 2.07 -1.94 -2.93 116.25 118.54 3icr h VAL 65 Ca -0.48 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3icr h VAL 65 Cb 1.19 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3icr h VAL 65 CO 0.68 0.07 -0.25 -0.08 0.02 0.00 0.00 177.57 178.00 3icr h GLU 66 N 0.38 -0.66 -0.06 1.57 4.81 -1.99 -0.98 114.58 117.64 3icr h GLU 66 Ca 0.28 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3icr h GLU 66 Cb 0.33 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3icr h GLU 66 CO -0.29 -0.44 0.00 0.54 -0.73 0.00 0.00 179.01 178.09 3icr n ARG 67 N -5.39 0.08 0.00 1.92 1.74 -1.11 -2.30 116.66 111.60 3icr n ARG 67 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3icr n ARG 67 Cb 0.29 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3icr n ARG 67 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3icr n SER 69 N 0.24 0.00 -0.03 0.55 3.41 -0.37 -0.53 113.62 116.89 3icr n SER 69 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3icr n SER 69 Cb 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 3icr n SER 69 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3icr h LYS 70 N 0.00 0.07 -0.43 4.33 1.63 -1.69 0.24 116.57 120.72 3icr h LYS 70 Ca 0.00 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3icr h LYS 70 Cb 0.00 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3icr h LYS 70 CO 0.00 0.67 0.27 -0.09 -3.45 0.00 0.00 179.45 176.84 3icr h ARG 71 N -0.51 0.53 -0.39 1.90 2.43 -1.07 -3.20 114.38 114.07 3icr h ARG 71 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3icr h ARG 71 Cb 0.67 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3icr h ARG 71 CO 0.01 0.35 0.00 1.19 -1.51 0.00 0.00 179.97 180.01 3icr n PHE 72 N -4.82 0.95 -4.02 2.20 3.72 -1.25 -4.98 117.46 109.26 3icr n PHE 72 Ca 0.02 -0.69 -0.30 0.00 -0.05 0.00 0.00 57.45 56.43 3icr n PHE 72 Cb 0.05 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 3icr n PHE 72 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3icr n ASN 73 N 0.24 -1.16 -4.67 4.37 5.15 -0.05 -4.88 115.26 114.26 3icr n ASN 73 Ca 0.19 -1.11 -0.35 0.00 -0.60 0.00 0.00 54.58 52.72 3icr n ASN 73 Cb 0.75 -2.58 -0.09 0.00 -0.53 0.00 0.00 39.78 37.32 3icr n ASN 73 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3icr s LEU 74 N -7.06 3.69 -0.86 1.20 1.02 -0.48 -4.69 118.68 111.51 3icr s LEU 74 Ca 0.13 0.13 -0.22 0.00 0.02 0.00 0.00 54.13 54.18 3icr s LEU 74 Cb -0.06 -1.88 0.08 0.00 0.02 0.00 0.00 46.19 44.35 3icr s LEU 74 CO 0.92 0.30 1.20 -0.62 0.02 0.00 0.00 176.35 178.17 3icr s ASP 75 N -0.39 6.41 -0.22 2.29 -1.08 0.08 -4.55 116.67 119.21 3icr s ASP 75 Ca 0.08 -1.37 -0.09 0.00 -0.52 0.00 0.00 52.55 50.65 3icr s ASP 75 Cb -0.12 -2.48 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 3icr s ASP 75 CO 0.02 -1.40 0.11 -0.63 0.52 0.00 0.00 175.17 173.79 3icr s ILE 76 N 4.13 4.96 -0.44 4.11 1.01 -1.26 -4.17 121.20 129.54 3icr s ILE 76 Ca 0.34 0.04 0.03 0.00 0.00 0.00 0.00 60.65 61.05 3icr s ILE 76 Cb -0.07 -3.28 0.13 0.00 0.01 0.00 0.00 42.46 39.24 3icr s ILE 76 CO -0.01 0.39 0.21 -0.13 0.00 0.00 0.00 174.94 175.39 3icr s ARG 77 N 0.90 1.51 0.72 2.79 0.52 -1.26 -5.04 118.95 119.10 3icr s ARG 77 Ca 0.05 -2.13 -0.11 0.00 -0.52 0.00 0.00 55.73 53.03 3icr s ARG 77 Cb -0.13 -2.78 0.04 0.00 0.52 0.00 0.00 34.95 32.59 3icr s ARG 77 CO 0.03 -1.10 1.09 0.14 0.02 0.00 0.00 175.30 175.48 3icr s VAL 78 N 0.31 2.99 -1.43 3.52 -7.23 -1.26 -1.10 120.40 116.20 3icr s VAL 78 Ca 0.16 0.23 -0.10 0.00 -1.81 0.00 0.00 61.98 60.46 3icr s VAL 78 Cb -0.24 -3.30 0.06 0.00 0.56 0.00 0.00 36.38 33.46 3icr s VAL 78 CO -0.03 -0.38 0.69 0.18 -0.31 0.00 0.00 175.10 175.24 3icr n LEU 79 N -3.04 -2.15 -3.87 1.32 4.77 0.96 -4.86 117.00 110.14 3icr n LEU 79 Ca 0.07 -0.50 -0.25 0.00 -0.03 0.00 0.00 56.01 55.30 3icr n LEU 79 Cb 0.59 -2.47 -0.17 0.00 -2.33 0.00 0.00 43.42 39.04 3icr n LEU 79 CO 0.56 0.28 -0.42 -0.44 -1.33 0.00 0.00 177.39 176.04 3icr s SER 80 N -2.91 1.96 -0.19 -1.43 0.01 -0.03 -0.63 113.70 110.48 3icr s SER 80 Ca 0.47 -0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.45 3icr s SER 80 Cb -0.24 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 3icr s SER 80 CO 0.58 -0.13 -0.02 -0.70 0.41 0.00 0.00 173.24 173.38 3icr s GLU 81 N 1.72 3.59 -0.28 12.44 2.12 0.24 -2.13 118.70 136.40 3icr s GLU 81 Ca 0.04 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 3icr s GLU 81 Cb -0.13 -3.00 -0.00 0.00 0.26 0.00 0.00 34.13 31.26 3icr s GLU 81 CO -0.07 0.06 1.30 0.08 -0.54 0.00 0.00 175.26 176.09 3icr s VAL 82 N 0.85 4.16 -0.14 3.70 1.01 -1.26 -0.16 120.40 128.56 3icr s VAL 82 Ca -0.00 1.32 0.22 0.00 0.00 0.00 0.00 61.98 63.52 3icr s VAL 82 Cb -0.14 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 31.88 3icr s VAL 82 CO 0.02 -0.43 0.69 1.33 0.00 0.00 0.00 175.10 176.71 3icr n VAL 83 N 6.10 0.21 -3.61 2.92 0.24 0.12 -4.98 118.33 119.34 3icr n VAL 83 Ca 0.15 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 3icr n VAL 83 Cb 0.46 -0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.68 3icr n VAL 83 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3icr s LYS 84 N -3.45 0.74 -0.14 7.34 2.20 -1.20 -4.99 119.74 120.25 3icr s LYS 84 Ca -0.05 0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 56.17 3icr s LYS 84 Cb 0.13 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 3icr s LYS 84 CO 0.87 -0.13 0.14 0.42 -0.36 0.00 0.00 175.35 176.28 3icr s ILE 85 N -0.04 5.47 -0.63 5.43 1.01 -1.26 -0.43 121.20 130.75 3icr s ILE 85 Ca -0.01 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.88 3icr s ILE 85 Cb -0.04 -3.41 0.15 0.00 0.01 0.00 0.00 42.46 39.18 3icr s ILE 85 CO 0.00 0.58 0.40 0.20 0.00 0.00 0.00 174.94 176.12 3icr s ASN 86 N -0.74 4.65 0.21 3.58 0.01 0.33 -4.69 114.94 118.30 3icr s ASN 86 Ca 0.13 -3.46 0.03 0.00 -0.71 0.00 0.00 52.86 48.85 3icr s ASN 86 Cb -0.12 -1.65 0.17 0.00 0.41 0.00 0.00 41.25 40.06 3icr s ASN 86 CO 0.03 -0.16 1.51 0.07 -1.51 0.00 0.00 177.10 177.04 3icr h LYS 87 N 5.94 0.26 0.00 -0.60 2.10 -1.91 0.12 116.57 122.47 3icr h LYS 87 Ca 0.04 -0.20 -0.05 0.00 -2.00 0.00 0.00 60.65 58.44 3icr h LYS 87 Cb 0.82 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 3icr h LYS 87 CO 0.71 0.83 -0.25 1.05 -2.00 0.00 0.00 179.45 179.79 3icr h GLU 88 N 0.18 0.00 0.00 0.07 9.09 -1.94 -2.91 114.58 119.07 3icr h GLU 88 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 3icr h GLU 88 Cb 1.21 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.31 3icr h GLU 88 CO 0.11 0.24 -0.44 1.49 0.05 0.00 0.00 179.01 180.46 3icr h GLU 89 N 0.00 0.00 -5.91 1.06 4.81 -1.93 -3.48 114.58 109.13 3icr h GLU 89 Ca -0.00 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.83 3icr h GLU 89 Cb 1.19 0.00 0.10 0.00 0.63 0.00 0.00 28.75 30.67 3icr h GLU 89 CO 0.03 0.01 -0.74 1.63 -0.73 0.00 0.00 179.01 179.20 3icr n LYS 90 N -2.92 -6.67 -4.26 1.92 5.02 0.34 -4.94 118.16 106.65 3icr n LYS 90 Ca 0.02 0.76 -0.14 0.00 -2.02 0.00 0.00 58.31 56.93 3icr n LYS 90 Cb 0.54 -5.70 -0.10 0.00 -0.02 0.00 0.00 35.03 29.75 3icr n LYS 90 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3icr s THR 91 N -3.38 0.95 0.20 -0.18 -4.23 -0.84 -1.30 115.64 106.86 3icr s THR 91 Ca 0.34 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 58.95 3icr s THR 91 Cb -0.16 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 3icr s THR 91 CO 0.76 -0.59 -0.21 0.27 -0.54 0.00 0.00 174.62 174.31 3icr s ILE 92 N -3.47 2.49 -0.22 2.99 -4.36 -0.27 -0.51 121.20 117.84 3icr s ILE 92 Ca 0.21 -2.03 -0.08 0.00 -0.26 0.00 0.00 60.65 58.48 3icr s ILE 92 Cb 0.05 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 3icr s ILE 92 CO 0.03 -0.15 0.09 -0.89 0.24 0.00 0.00 174.94 174.26 3icr s THR 93 N -1.79 4.77 -0.07 8.37 2.01 0.43 -0.48 115.64 128.87 3icr s THR 93 Ca 0.23 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.23 3icr s THR 93 Cb -0.08 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 3icr s THR 93 CO 0.11 0.38 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.63 3icr s ILE 94 N 1.04 2.83 -0.21 1.82 1.01 0.13 0.16 121.20 127.98 3icr s ILE 94 Ca 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 3icr s ILE 94 Cb -0.14 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3icr s ILE 94 CO 0.03 0.57 -0.02 -0.75 0.00 0.00 0.00 174.94 174.77 3icr s LYS 95 N -0.29 3.52 -0.31 2.79 2.20 0.77 -1.51 119.74 126.91 3icr s LYS 95 Ca 0.02 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 3icr s LYS 95 Cb -0.13 -3.05 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3icr s LYS 95 CO 0.03 -0.07 1.39 1.21 -0.36 0.00 0.00 175.35 177.54 3icr s ASN 96 N 1.20 6.53 0.32 1.43 3.84 0.19 -0.59 114.94 127.85 3icr s ASN 96 Ca 0.03 1.20 0.08 0.00 0.21 0.00 0.00 52.86 54.38 3icr s ASN 96 Cb -0.15 -2.54 0.52 0.00 -0.55 0.00 0.00 41.25 38.54 3icr s ASN 96 CO 0.00 -1.20 1.73 0.58 -2.79 0.00 0.00 177.10 175.42 3icr h VAL 97 N 6.12 1.30 0.14 -5.21 2.07 -1.19 0.11 116.25 119.59 3icr h VAL 97 Ca -0.28 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3icr h VAL 97 Cb 1.11 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3icr h VAL 97 CO 1.04 0.43 -0.07 0.74 0.02 0.00 0.00 177.57 179.73 3icr h THR 98 N 0.14 0.97 -0.00 2.57 2.02 -1.91 -3.36 112.91 113.34 3icr h THR 98 Ca 0.01 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3icr h THR 98 Cb 0.78 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3icr h THR 98 CO 0.06 0.24 -0.71 0.35 0.37 0.00 0.00 175.52 175.83 3icr n THR 99 N -4.93 0.00 -1.08 3.16 -2.24 -1.21 -4.96 114.28 103.02 3icr n THR 99 Ca -0.08 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3icr n THR 99 Cb 0.27 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 3icr n THR 99 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3icr n ASN 100 N -1.30 -5.45 -4.76 3.42 3.02 0.36 -4.99 115.26 105.56 3icr n ASN 100 Ca 0.06 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 3icr n ASN 100 Cb 0.35 -3.19 -0.05 0.00 -0.61 0.00 0.00 39.78 36.28 3icr n ASN 100 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3icr s GLU 101 N -1.95 4.69 0.14 3.52 -1.05 -1.24 -4.82 118.70 117.98 3icr s GLU 101 Ca 0.00 1.73 0.10 0.00 -0.15 0.00 0.00 54.97 56.65 3icr s GLU 101 Cb 0.00 -3.21 -0.04 0.00 -0.44 0.00 0.00 34.13 30.43 3icr s GLU 101 CO 0.00 0.28 -0.22 0.95 0.95 0.00 0.00 175.26 177.22 3icr s THR 102 N -1.13 2.56 0.19 1.83 -4.23 -1.26 -0.64 115.64 112.96 3icr s THR 102 Ca 0.44 -1.68 -0.20 0.00 -1.18 0.00 0.00 61.69 59.07 3icr s THR 102 Cb -0.30 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.40 3icr s THR 102 CO 0.39 0.06 0.57 -0.72 -0.54 0.00 0.00 174.62 174.37 3icr s TYR 103 N -1.21 -0.29 -0.09 3.99 -0.85 -0.57 -5.00 117.35 113.33 3icr s TYR 103 Ca 0.17 -0.02 -0.06 0.00 -0.52 0.00 0.00 57.07 56.65 3icr s TYR 103 Cb -0.10 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 3icr s TYR 103 CO 0.09 -0.92 0.15 -0.80 -1.52 0.00 0.00 175.55 172.55 3icr s ASN 104 N -2.83 6.37 -0.15 -0.18 -0.87 -1.26 -0.69 114.94 115.33 3icr s ASN 104 Ca 0.06 0.43 0.00 0.00 -1.57 0.00 0.00 52.86 51.78 3icr s ASN 104 Cb -0.01 -2.04 0.03 0.00 -0.02 0.00 0.00 41.25 39.20 3icr s ASN 104 CO -0.06 0.37 -0.12 -0.70 -2.57 0.00 0.00 177.10 174.02 3icr s GLU 105 N -1.30 2.04 0.51 -0.60 2.56 0.37 -4.94 118.70 117.34 3icr s GLU 105 Ca 0.19 -0.54 -0.20 0.00 0.00 0.00 0.00 54.97 54.41 3icr s GLU 105 Cb -0.12 -2.05 -0.07 0.00 2.00 0.00 0.00 34.13 33.89 3icr s GLU 105 CO 0.08 -0.29 1.10 0.00 -0.56 0.00 0.00 175.26 175.60 3icr s ALA 106 N 1.53 2.79 0.04 6.30 0.00 -1.26 -1.11 121.76 130.05 3icr s ALA 106 Ca 0.04 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3icr s ALA 106 Cb -0.13 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3icr s ALA 106 CO -0.10 -0.59 -0.04 1.52 0.00 0.00 0.00 175.76 176.55 3icr s TYR 107 N -1.81 0.47 -0.20 0.00 1.13 -0.42 -4.92 117.35 111.60 3icr s TYR 107 Ca 0.70 -0.76 0.07 0.00 -1.41 0.00 0.00 57.07 55.66 3icr s TYR 107 Cb -0.22 -0.32 -0.21 0.00 -1.10 0.00 0.00 41.96 40.10 3icr s TYR 107 CO 0.25 -0.24 0.02 -0.25 -2.51 0.00 0.00 175.55 172.83 3icr n ASP 108 N 0.88 1.31 -4.01 -0.18 8.00 -0.16 -4.82 116.55 117.57 3icr n ASP 108 Ca -0.19 -0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.07 3icr n ASP 108 Cb 0.58 -0.02 -0.17 0.00 -0.02 0.00 0.00 41.12 41.49 3icr n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3icr s VAL 109 N -2.52 1.06 -0.14 2.53 1.01 -0.99 -4.85 120.40 116.50 3icr s VAL 109 Ca -0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3icr s VAL 109 Cb 0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3icr s VAL 109 CO 0.71 0.34 -0.09 -0.22 0.00 0.00 0.00 175.10 175.84 3icr s LEU 110 N 0.71 2.91 -0.16 3.92 2.96 -0.01 -1.34 118.68 127.68 3icr s LEU 110 Ca -0.14 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3icr s LEU 110 Cb -0.16 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.87 3icr s LEU 110 CO 0.03 0.16 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.40 3icr s ILE 111 N 0.40 2.26 -0.33 6.68 1.01 0.90 -0.04 121.20 132.08 3icr s ILE 111 Ca -0.08 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 3icr s ILE 111 Cb -0.15 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3icr s ILE 111 CO 0.04 0.53 0.17 -0.76 0.00 0.00 0.00 174.94 174.93 3icr s LEU 112 N 0.97 4.32 -0.47 2.97 1.43 0.39 0.31 118.68 128.60 3icr s LEU 112 Ca -0.03 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.47 3icr s LEU 112 Cb -0.15 -2.01 0.32 0.00 0.03 0.00 0.00 46.19 44.38 3icr s LEU 112 CO -0.04 -0.26 0.77 -0.24 0.23 0.00 0.00 176.35 176.80 3icr n SER 113 N 4.99 2.17 -0.13 2.29 2.88 0.66 -1.66 113.62 124.82 3icr n SER 113 Ca -0.13 -3.22 0.14 0.00 -1.33 0.00 0.00 58.87 54.33 3icr n SER 113 Cb 0.48 -0.61 0.60 0.00 -0.75 0.00 0.00 64.21 63.93 3icr n SER 113 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3icr n PRO 114 N 0.35 0.71 0.00 -1.46 -0.04 -1.24 -4.38 135.00 128.94 3icr n PRO 114 Ca 0.27 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3icr n PRO 114 Cb 0.53 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3icr n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3icr n GLY 115 N 1.28 0.81 3.15 0.55 0.00 -1.26 -4.74 105.19 104.98 3icr n GLY 115 Ca 0.14 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 3icr n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icr s ALA 116 N -1.77 -0.63 0.12 4.61 0.00 -1.26 -0.94 121.76 121.88 3icr s ALA 116 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.64 3icr s ALA 116 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3icr s ALA 116 CO 0.00 -0.14 0.10 -1.59 0.00 0.00 0.00 175.76 174.13 3icr s LYS 117 N -0.09 2.89 0.35 0.00 -2.85 0.05 -4.82 119.74 115.27 3icr s LYS 117 Ca -0.02 -0.77 -0.29 0.00 -1.00 0.00 0.00 55.97 53.89 3icr s LYS 117 Cb -0.02 -2.69 -0.11 0.00 -2.06 0.00 0.00 37.83 32.94 3icr s LYS 117 CO 0.01 0.53 1.51 -0.35 0.10 0.00 0.00 175.35 177.15 3icr n PRO 118 N 0.10 2.66 -2.43 1.78 -0.04 -1.26 -0.91 135.00 134.91 3icr n PRO 118 Ca -0.08 0.94 -0.43 0.00 -0.04 0.00 0.00 63.50 63.88 3icr n PRO 118 Cb 0.53 -2.67 -0.02 0.00 -0.04 0.00 0.00 33.50 31.29 3icr n PRO 118 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3icr s ILE 119 N -0.83 4.28 -0.32 0.52 1.01 -0.29 -4.79 121.20 120.77 3icr s ILE 119 Ca 0.56 1.55 -0.06 0.00 0.00 0.00 0.00 60.65 62.71 3icr s ILE 119 Cb -0.49 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.02 3icr s ILE 119 CO 0.60 -0.13 0.08 -0.69 0.00 0.00 0.00 174.94 174.79 3icr s VAL 120 N 3.44 3.65 0.52 2.92 1.01 -1.26 -4.64 120.40 126.04 3icr s VAL 120 Ca 0.55 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3icr s VAL 120 Cb -0.22 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 3icr s VAL 120 CO 0.15 -0.11 1.04 -2.16 0.00 0.00 0.00 175.10 174.02 3icr s PRO 121 N 1.39 3.66 -1.09 2.72 0.04 -1.26 -4.95 135.00 135.51 3icr s PRO 121 Ca -0.01 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 3icr s PRO 121 Cb -0.19 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.38 3icr s PRO 121 CO 0.02 -0.54 1.39 0.45 0.04 0.00 0.00 177.00 178.36 3icr s SER 122 N -2.30 6.75 -0.17 6.66 0.15 -1.26 -4.97 113.70 118.56 3icr s SER 122 Ca 0.66 -2.23 -0.07 0.00 0.70 0.00 0.00 55.95 55.01 3icr s SER 122 Cb -0.16 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3icr s SER 122 CO 0.26 -1.10 0.05 -0.63 1.20 0.00 0.00 173.24 173.02 3icr s ILE 123 N 3.19 4.72 0.17 6.45 1.01 -1.26 -5.07 121.20 130.41 3icr s ILE 123 Ca 0.42 -0.06 -0.33 0.00 0.00 0.00 0.00 60.65 60.68 3icr s ILE 123 Cb -0.02 -3.11 -0.12 0.00 0.01 0.00 0.00 42.46 39.22 3icr s ILE 123 CO -0.04 0.49 1.70 -0.81 0.00 0.00 0.00 174.94 176.27 3icr n PRO 124 N 3.30 2.56 0.00 2.79 -0.04 -1.26 -1.85 135.00 140.49 3icr n PRO 124 Ca -0.17 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3icr n PRO 124 Cb 0.53 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 3icr n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3icr n GLY 125 N 3.84 1.44 0.33 0.55 0.00 -1.26 -0.54 105.19 109.55 3icr n GLY 125 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3icr n GLY 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3icr h ILE 126 N 0.00 1.07 -0.74 -0.61 2.10 -1.64 -1.64 117.51 116.06 3icr h ILE 126 Ca 0.00 -0.22 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 3icr h ILE 126 Cb 0.00 0.36 -0.03 0.00 -1.09 0.00 0.00 36.82 36.06 3icr h ILE 126 CO 0.00 0.12 0.37 -0.33 -1.08 0.00 0.00 178.15 177.23 3icr h GLU 127 N 0.65 1.05 -0.00 2.19 3.07 -1.93 -2.93 114.58 116.68 3icr h GLU 127 Ca 0.22 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3icr h GLU 127 Cb 0.08 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3icr h GLU 127 CO -0.06 0.81 -0.19 0.39 -1.40 0.00 0.00 179.01 178.56 3icr n GLU 128 N -4.42 0.58 -2.12 2.33 4.71 -0.69 -4.81 120.64 116.22 3icr n GLU 128 Ca 0.06 -0.26 -0.35 0.00 -0.01 0.00 0.00 57.16 56.61 3icr n GLU 128 Cb 0.12 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.02 3icr n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3icr s ALA 129 N -2.59 2.09 0.31 0.62 0.00 -0.76 -4.57 121.76 116.87 3icr s ALA 129 Ca 0.24 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 3icr s ALA 129 Cb 0.19 -4.40 0.50 0.00 0.00 0.00 0.00 23.12 19.42 3icr s ALA 129 CO 0.52 -4.13 1.94 0.87 0.00 0.00 0.00 175.76 174.97 3icr h LYS 130 N 13.03 0.92 -0.79 0.00 1.57 -1.82 -3.06 116.57 126.41 3icr h LYS 130 Ca -0.12 -0.09 -0.54 0.00 -1.87 0.00 0.00 60.65 58.03 3icr h LYS 130 Cb 1.09 -0.19 -0.33 0.00 0.08 0.00 0.00 32.23 32.88 3icr h LYS 130 CO 1.23 0.67 -0.06 0.00 -0.57 0.00 0.00 179.45 180.71 3icr n ALA 131 N -2.44 5.42 -2.81 3.86 0.00 -1.26 -4.96 120.51 118.31 3icr n ALA 131 Ca 0.07 -3.57 -0.36 0.00 0.00 0.00 0.00 53.44 49.58 3icr n ALA 131 Cb 0.09 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 3icr n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3icr s LEU 132 N -3.63 4.22 -0.01 0.00 1.98 -1.16 0.22 118.68 120.31 3icr s LEU 132 Ca 0.55 0.33 -0.00 0.00 -2.89 0.00 0.00 54.13 52.12 3icr s LEU 132 Cb 0.45 -2.05 0.00 0.00 0.66 0.00 0.00 46.19 45.25 3icr s LEU 132 CO 0.02 0.31 0.02 -0.36 -1.89 0.00 0.00 176.35 174.45 3icr s PHE 133 N -0.45 -0.01 0.26 5.38 0.40 0.78 -4.94 117.98 119.38 3icr s PHE 133 Ca 0.12 0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.55 3icr s PHE 133 Cb -0.12 -0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.38 3icr s PHE 133 CO 0.02 -0.01 0.30 0.95 0.70 0.00 0.00 175.22 177.17 3icr s THR 134 N 0.04 4.74 -0.24 0.64 -4.23 -1.26 -0.51 115.64 114.83 3icr s THR 134 Ca -0.00 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3icr s THR 134 Cb -0.00 -3.60 0.06 0.00 1.34 0.00 0.00 72.50 70.30 3icr s THR 134 CO -0.00 -0.32 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.49 3icr s LEU 135 N -3.94 2.58 0.00 4.79 2.96 -1.26 -4.84 118.68 118.97 3icr s LEU 135 Ca 0.35 -1.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 3icr s LEU 135 Cb -0.08 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.43 3icr s LEU 135 CO 0.27 -0.24 0.00 -1.14 -1.32 0.00 0.00 176.35 173.92 3icr n ARG 136 N 4.67 0.00 -4.00 1.98 0.63 -1.26 -4.94 116.66 113.74 3icr n ARG 136 Ca -0.12 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.58 3icr n ARG 136 Cb 0.44 -0.27 -0.05 0.00 0.45 0.00 0.00 32.46 33.02 3icr n ARG 136 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3icr n ASN 137 N -2.62 2.59 0.03 6.15 0.23 -1.26 -4.91 115.26 115.47 3icr n ASN 137 Ca 0.00 -2.70 -0.12 0.00 -0.53 0.00 0.00 54.58 51.23 3icr n ASN 137 Cb 0.22 0.41 -0.08 0.00 -2.08 0.00 0.00 39.78 38.24 3icr n ASN 137 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3icr h VAL 138 N 1.28 1.10 -0.94 3.53 2.07 -1.99 -2.21 116.25 119.09 3icr h VAL 138 Ca -0.30 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.04 3icr h VAL 138 Cb 0.97 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 3icr h VAL 138 CO 0.50 0.09 0.54 -0.65 0.02 0.00 0.00 177.57 178.07 3icr h PRO 139 N -0.16 0.72 -0.66 1.57 0.11 -1.99 0.60 132.00 132.19 3icr h PRO 139 Ca -0.00 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.15 3icr h PRO 139 Cb 0.15 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.03 3icr h PRO 139 CO 0.00 0.48 0.31 -0.44 -0.21 0.00 0.00 178.00 178.14 3icr h ASP 140 N 0.74 0.39 -0.20 -2.05 3.32 -1.84 -1.99 116.42 114.80 3icr h ASP 140 Ca 0.52 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.61 3icr h ASP 140 Cb 0.73 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3icr h ASP 140 CO -0.36 0.23 0.06 0.74 -1.72 0.00 0.00 179.24 178.19 3icr h THR 141 N 0.54 1.19 -0.82 0.35 2.02 -0.57 -2.00 112.91 113.62 3icr h THR 141 Ca 0.32 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.98 3icr h THR 141 Cb 0.34 1.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 3icr h THR 141 CO -0.27 0.19 0.49 0.44 0.37 0.00 0.00 175.52 176.74 3icr h ASP 142 N 0.14 0.73 -0.16 4.18 3.32 -0.75 -1.09 116.42 122.80 3icr h ASP 142 Ca 0.06 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3icr h ASP 142 Cb 0.24 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3icr h ASP 142 CO -0.00 0.44 0.01 -0.09 -1.72 0.00 0.00 179.24 177.88 3icr h ARG 143 N 0.86 0.28 -0.57 3.56 2.43 -1.09 0.16 114.38 120.00 3icr h ARG 143 Ca 0.38 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3icr h ARG 143 Cb 0.27 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3icr h ARG 143 CO -0.21 0.48 0.30 0.82 -1.51 0.00 0.00 179.97 179.85 3icr h ILE 144 N 0.04 1.19 -0.41 1.20 2.04 -1.24 -1.58 117.51 118.75 3icr h ILE 144 Ca 0.05 -0.51 -0.15 0.00 1.00 0.00 0.00 64.86 65.25 3icr h ILE 144 Cb 0.34 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3icr h ILE 144 CO 0.01 0.21 -0.34 0.50 0.00 0.00 0.00 178.15 178.52 3icr h LYS 145 N 0.78 0.96 -0.76 2.37 3.64 -1.03 -2.13 116.57 120.40 3icr h LYS 145 Ca 0.20 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3icr h LYS 145 Cb 0.07 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 3icr h LYS 145 CO -0.03 1.14 0.46 0.00 -2.27 0.00 0.00 179.45 178.75 3icr h ALA 146 N 0.80 0.97 -0.38 5.00 0.00 -0.58 -0.52 119.26 124.55 3icr h ALA 146 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3icr h ALA 146 Cb 0.94 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3icr h ALA 146 CO 0.09 0.43 0.17 -0.92 0.00 0.00 0.00 179.25 179.02 3icr h TYR 147 N 1.04 0.57 0.06 0.00 3.20 -1.09 0.12 116.97 120.87 3icr h TYR 147 Ca 0.27 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3icr h TYR 147 Cb -0.04 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3icr h TYR 147 CO -0.01 0.50 -0.03 0.82 -1.64 0.00 0.00 178.16 177.80 3icr h ILE 148 N 0.47 0.98 -0.80 1.81 2.04 -1.14 0.20 117.51 121.07 3icr h ILE 148 Ca 0.13 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3icr h ILE 148 Cb 0.16 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3icr h ILE 148 CO -0.01 0.03 0.53 0.44 0.00 0.00 0.00 178.15 179.14 3icr h ASP 149 N -0.14 0.92 0.10 1.72 3.32 -0.93 -2.14 116.42 119.27 3icr h ASP 149 Ca -0.01 -0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.67 3icr h ASP 149 Cb 0.12 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3icr h ASP 149 CO 0.01 0.67 -1.89 -0.62 -1.72 0.00 0.00 179.24 175.70 3icr n GLU 150 N -4.53 0.72 0.00 3.56 1.02 0.41 -4.47 120.64 117.36 3icr n GLU 150 Ca 0.08 0.32 0.11 0.00 -0.02 0.00 0.00 57.16 57.64 3icr n GLU 150 Cb 0.02 -1.71 0.03 0.00 -0.02 0.00 0.00 31.44 29.76 3icr n GLU 150 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3icr n LYS 151 N -3.66 0.32 -3.55 3.49 4.76 0.71 -5.01 118.16 115.22 3icr n LYS 151 Ca -0.33 -0.24 -0.20 0.00 -2.87 0.00 0.00 58.31 54.67 3icr n LYS 151 Cb 0.98 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 32.73 3icr n LYS 151 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3icr n LYS 152 N -1.13 -4.46 -1.75 1.97 4.76 -0.81 -4.92 118.16 111.83 3icr n LYS 152 Ca 0.06 0.70 -0.40 0.00 -2.87 0.00 0.00 58.31 55.81 3icr n LYS 152 Cb 0.36 -5.35 0.02 0.00 -1.84 0.00 0.00 35.03 28.22 3icr n LYS 152 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3icr n PRO 153 N -4.04 2.07 -0.06 1.97 -0.04 -1.26 -4.93 135.00 128.72 3icr n PRO 153 Ca -0.23 0.74 -0.03 0.00 -0.04 0.00 0.00 63.50 63.94 3icr n PRO 153 Cb 0.66 -2.59 -0.13 0.00 -0.04 0.00 0.00 33.50 31.40 3icr n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3icr n ARG 154 N -0.39 1.18 -4.46 0.54 5.12 -1.26 -4.81 116.66 112.59 3icr n ARG 154 Ca 0.07 -0.05 -0.20 0.00 -1.93 0.00 0.00 57.85 55.74 3icr n ARG 154 Cb 0.42 -1.40 -0.15 0.00 -1.16 0.00 0.00 32.46 30.17 3icr n ARG 154 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3icr s HIS 155 N -2.60 0.98 0.05 -1.55 2.46 -1.26 -1.11 115.29 112.26 3icr s HIS 155 Ca -0.07 -0.21 0.08 0.00 0.47 0.00 0.00 55.06 55.33 3icr s HIS 155 Cb 0.06 -0.65 -0.03 0.00 -0.13 0.00 0.00 32.58 31.84 3icr s HIS 155 CO 0.66 -0.04 -0.22 0.00 -2.47 0.00 0.00 174.74 172.67 3icr s ALA 156 N -0.12 1.85 -0.14 1.58 0.00 0.45 -1.18 121.76 124.21 3icr s ALA 156 Ca 0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3icr s ALA 156 Cb -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3icr s ALA 156 CO -0.00 0.42 -0.10 0.99 0.00 0.00 0.00 175.76 177.06 3icr s THR 157 N -0.84 3.30 -0.20 0.00 2.01 -1.26 -1.39 115.64 117.26 3icr s THR 157 Ca 0.08 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 3icr s THR 157 Cb -0.09 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3icr s THR 157 CO 0.02 0.51 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 3icr s VAL 158 N 0.39 3.69 -0.36 3.82 1.01 0.34 -1.00 120.40 128.29 3icr s VAL 158 Ca -0.08 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 3icr s VAL 158 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3icr s VAL 158 CO 0.05 0.44 0.23 -0.63 0.00 0.00 0.00 175.10 175.18 3icr s ILE 159 N 1.06 5.00 0.00 2.22 1.01 -0.11 0.02 121.20 130.40 3icr s ILE 159 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3icr s ILE 159 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3icr s ILE 159 CO 0.01 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3icr n GLY 160 N 5.07 1.98 2.06 6.18 0.00 -0.02 -0.26 105.19 120.20 3icr n GLY 160 Ca -0.12 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 3icr n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 161 N 2.05 5.74 3.74 -0.02 0.00 -1.26 -4.31 105.19 111.12 3icr n GLY 161 Ca 0.00 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 3icr n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3icr s GLY 162 N -2.38 1.69 0.27 -0.02 0.00 -1.26 -4.58 107.32 101.04 3icr s GLY 162 Ca 0.57 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 3icr s GLY 162 CO 0.02 -0.29 1.71 0.74 0.00 0.00 0.00 173.10 175.28 3icr h PHE 163 N -2.30 0.55 0.02 1.90 0.05 -1.96 -0.19 116.94 115.01 3icr h PHE 163 Ca -0.43 0.04 -0.26 0.00 3.82 0.00 0.00 57.97 61.14 3icr h PHE 163 Cb 1.25 -0.12 0.02 0.00 2.00 0.00 0.00 35.95 39.10 3icr h PHE 163 CO -2.13 0.01 -1.04 0.97 -0.18 0.00 0.00 178.31 175.93 3icr h ILE 164 N 0.42 1.32 -0.47 -0.55 -0.00 -1.95 -2.34 117.51 113.95 3icr h ILE 164 Ca 0.48 -2.35 0.09 0.00 -0.00 0.00 0.00 64.86 63.08 3icr h ILE 164 Cb 0.81 2.44 -0.08 0.00 -0.00 0.00 0.00 36.82 39.99 3icr h ILE 164 CO -0.47 0.72 -0.06 1.23 -0.00 0.00 0.00 178.15 179.57 3icr h GLY 165 N 0.68 0.41 1.00 8.18 0.00 -1.63 -2.84 103.07 108.88 3icr h GLY 165 Ca -0.12 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3icr h GLY 165 CO 0.20 -0.15 0.53 -2.08 0.00 0.00 0.00 176.54 175.03 3icr h VAL 166 N 0.06 1.20 0.00 4.60 2.07 -1.00 0.84 116.25 124.02 3icr h VAL 166 Ca 0.23 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3icr h VAL 166 Cb 0.35 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3icr h VAL 166 CO -0.43 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 176.73 3icr n GLU 167 N -4.53 0.32 0.00 1.57 1.02 -0.88 -1.43 120.64 116.70 3icr n GLU 167 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3icr n GLU 167 Cb 0.02 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3icr n GLU 167 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3icr n VAL 169 N 0.73 0.00 -0.07 2.62 0.31 0.29 -1.39 118.33 120.83 3icr n VAL 169 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3icr n VAL 169 Cb 0.14 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.06 3icr n VAL 169 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3icr h GLU 170 N 0.00 0.25 -0.11 5.55 4.81 -1.52 -2.39 114.58 121.16 3icr h GLU 170 Ca 0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3icr h GLU 170 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3icr h GLU 170 CO 0.00 0.16 -0.40 -0.91 -0.73 0.00 0.00 179.01 177.13 3icr h ASN 171 N 0.25 0.26 -0.02 1.04 2.35 -1.51 -0.54 115.58 117.41 3icr h ASN 171 Ca 0.11 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3icr h ASN 171 Cb 0.05 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3icr h ASN 171 CO -0.09 0.64 0.01 -0.07 -1.65 0.00 0.00 177.43 176.26 3icr h LEU 172 N 0.21 0.04 -0.75 1.61 3.38 -1.79 -2.74 115.31 115.26 3icr h LEU 172 Ca 0.02 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 57.92 3icr h LEU 172 Cb 0.80 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 3icr h LEU 172 CO 0.06 0.24 0.28 0.03 0.09 0.00 0.00 178.44 179.15 3icr h ARG 173 N -0.17 0.41 -0.70 1.13 2.47 -1.28 -1.13 114.38 115.11 3icr h ARG 173 Ca 0.01 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.84 3icr h ARG 173 Cb 0.22 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.40 3icr h ARG 173 CO -0.00 0.27 0.47 1.49 0.56 0.00 0.00 179.97 182.76 3icr h GLU 174 N 0.42 0.39 -0.00 0.04 4.57 -0.97 0.15 114.58 119.18 3icr h GLU 174 Ca 0.41 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 3icr h GLU 174 Cb 0.63 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3icr h GLU 174 CO -0.41 0.26 -0.01 0.54 -1.18 0.00 0.00 179.01 178.20 3icr n ARG 175 N -4.47 0.78 -0.53 1.92 5.12 -0.48 -4.88 116.66 114.12 3icr n ARG 175 Ca 0.13 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3icr n ARG 175 Cb 0.48 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 3icr n ARG 175 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3icr n GLY 176 N 1.15 0.70 3.73 -0.13 0.00 0.53 -5.06 105.19 106.11 3icr n GLY 176 Ca 0.19 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3icr n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3icr s ILE 177 N -2.00 5.12 0.31 -0.61 1.01 -0.89 -5.00 121.20 119.15 3icr s ILE 177 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.47 3icr s ILE 177 Cb 0.00 -3.89 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 3icr s ILE 177 CO 0.00 0.32 1.27 -1.61 0.00 0.00 0.00 174.94 174.91 3icr s GLU 178 N 0.57 4.42 -0.04 2.79 0.41 -0.26 -3.51 118.70 123.08 3icr s GLU 178 Ca 0.29 2.12 0.04 0.00 -0.41 0.00 0.00 54.97 57.01 3icr s GLU 178 Cb -0.16 -3.11 -0.00 0.00 -1.78 0.00 0.00 34.13 29.08 3icr s GLU 178 CO 0.13 -0.11 -0.15 0.08 -0.49 0.00 0.00 175.26 174.72 3icr s VAL 179 N -1.02 1.24 -0.12 2.63 1.01 -1.26 -0.41 120.40 122.47 3icr s VAL 179 Ca 0.49 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3icr s VAL 179 Cb -0.38 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3icr s VAL 179 CO 0.49 0.36 -0.13 -0.89 0.00 0.00 0.00 175.10 174.94 3icr s THR 180 N 0.12 3.09 -0.20 3.92 2.01 -0.49 -1.52 115.64 122.58 3icr s THR 180 Ca -0.04 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 3icr s THR 180 Cb -0.11 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3icr s THR 180 CO 0.02 0.53 0.04 -0.22 -0.69 0.00 0.00 174.62 174.30 3icr s LEU 181 N 0.23 3.53 -0.19 4.42 2.96 0.23 -0.50 118.68 129.35 3icr s LEU 181 Ca -0.08 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3icr s LEU 181 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3icr s LEU 181 CO 0.05 0.10 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.46 3icr s VAL 182 N 0.81 3.67 0.00 1.68 1.01 0.10 -0.71 120.40 126.95 3icr s VAL 182 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3icr s VAL 182 Cb -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3icr s VAL 182 CO 0.02 0.44 0.00 1.21 0.00 0.00 0.00 175.10 176.78 3icr n GLU 183 N 4.26 0.92 -0.01 2.72 4.07 -0.18 -0.84 120.64 131.58 3icr n GLU 183 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 3icr n GLU 183 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 3icr n GLU 183 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3icr n ALA 185 N -3.00 -1.08 -0.05 4.31 0.00 -1.26 -1.14 120.51 118.29 3icr n ALA 185 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3icr n ALA 185 Cb 0.00 -0.04 0.28 0.00 0.00 0.00 0.00 19.45 19.69 3icr n ALA 185 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3icr n ASN 186 N -0.35 3.62 -3.60 0.00 0.23 -1.26 -1.12 115.26 112.78 3icr n ASN 186 Ca 0.00 -2.22 -0.13 0.00 -0.53 0.00 0.00 54.58 51.70 3icr n ASN 186 Cb 0.04 -0.47 -0.05 0.00 -2.08 0.00 0.00 39.78 37.22 3icr n ASN 186 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3icr s GLN 187 N -1.57 1.01 -0.54 -3.83 -2.07 -1.26 -4.96 119.66 106.45 3icr s GLN 187 Ca 0.40 -0.34 -0.28 0.00 -1.82 0.00 0.00 55.36 53.32 3icr s GLN 187 Cb 0.24 0.46 0.02 0.00 -1.09 0.00 0.00 33.01 32.64 3icr s GLN 187 CO 0.22 -0.37 1.29 0.14 -1.32 0.00 0.00 175.29 175.26 3icr s VAL 188 N -2.66 3.94 -0.20 3.63 -7.23 -1.26 -4.92 120.40 111.70 3icr s VAL 188 Ca -0.04 0.86 -0.01 0.00 -1.81 0.00 0.00 61.98 60.98 3icr s VAL 188 Cb -0.00 -4.55 -0.12 0.00 0.56 0.00 0.00 36.38 32.27 3icr s VAL 188 CO -0.04 -1.18 -0.20 -2.65 -0.31 0.00 0.00 175.10 170.73 3icr n PRO 190 N 8.41 0.49 0.22 4.82 -0.02 -1.26 -4.85 135.00 142.81 3icr n PRO 190 Ca 0.11 0.13 0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3icr n PRO 190 Cb 0.49 -1.36 0.83 0.00 -0.02 0.00 0.00 33.50 33.43 3icr n PRO 190 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3icr h PRO 191 N -0.18 0.00 -6.23 0.52 0.11 -2.01 -3.43 132.00 120.78 3icr h PRO 191 Ca -0.47 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.14 3icr h PRO 191 Cb 1.64 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.74 3icr h PRO 191 CO -0.13 0.00 -0.36 0.96 -0.21 0.00 0.00 178.00 178.26 3icr s ILE 192 N -4.69 5.23 0.69 4.15 -4.36 -1.26 -4.57 121.20 116.39 3icr s ILE 192 Ca -0.05 -0.65 -0.11 0.00 -0.26 0.00 0.00 60.65 59.58 3icr s ILE 192 Cb 0.16 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 40.07 3icr s ILE 192 CO 0.57 -0.28 1.07 -1.81 0.24 0.00 0.00 174.94 174.73 3icr s ASP 193 N -3.61 5.57 0.19 4.36 1.01 -1.26 -4.86 116.67 118.06 3icr s ASP 193 Ca 0.36 1.27 -0.13 0.00 0.71 0.00 0.00 52.55 54.77 3icr s ASP 193 Cb -0.10 -2.15 0.20 0.00 1.01 0.00 0.00 42.92 41.88 3icr s ASP 193 CO 0.30 -1.28 1.71 0.22 0.21 0.00 0.00 175.17 176.33 3icr h TYR 194 N -0.61 0.15 0.00 4.23 3.20 -1.96 -1.42 116.97 120.56 3icr h TYR 194 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3icr h TYR 194 Cb 1.23 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3icr h TYR 194 CO 0.55 -0.02 0.00 -0.85 -1.64 0.00 0.00 178.16 176.21 3icr n GLU 195 N -5.12 0.48 0.00 1.82 0.00 -1.26 -1.93 120.64 114.62 3icr n GLU 195 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 3icr n GLU 195 Cb 0.25 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.43 3icr n GLU 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3icr n ALA 197 N 0.82 0.00 -0.30 -1.84 0.00 -0.54 -4.00 120.51 114.66 3icr n ALA 197 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3icr n ALA 197 Cb 0.24 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.94 3icr n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3icr h ALA 198 N 0.00 1.54 -0.25 0.00 0.00 -1.66 0.17 119.26 119.06 3icr h ALA 198 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3icr h ALA 198 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3icr h ALA 198 CO 0.00 0.31 0.05 1.88 0.00 0.00 0.00 179.25 181.49 3icr h TYR 199 N 0.99 0.44 -0.50 0.00 -1.99 -1.89 -2.53 116.97 111.50 3icr h TYR 199 Ca 0.39 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 61.09 3icr h TYR 199 Cb 0.24 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.81 3icr h TYR 199 CO -0.00 0.53 0.28 0.28 -0.00 0.00 0.00 178.16 179.25 3icr h VAL 200 N 0.23 1.02 -0.83 -2.88 2.07 -1.55 -2.20 116.25 112.11 3icr h VAL 200 Ca 0.08 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.47 3icr h VAL 200 Cb 0.32 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3icr h VAL 200 CO 0.00 0.10 0.50 0.45 0.02 0.00 0.00 177.57 178.65 3icr h HIS 201 N 0.56 0.92 -0.20 1.57 3.86 -0.66 -2.15 115.15 119.05 3icr h HIS 201 Ca 0.21 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 3icr h HIS 201 Cb 0.05 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 3icr h HIS 201 CO -0.08 0.45 0.00 0.93 0.86 0.00 0.00 177.93 180.10 3icr h GLU 202 N 0.91 0.07 -1.22 2.45 5.08 -0.98 -1.20 114.58 119.68 3icr h GLU 202 Ca 0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3icr h GLU 202 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3icr h GLU 202 CO -0.18 0.04 0.00 0.72 -1.00 0.00 0.00 179.01 178.59 3icr n HIS 203 N -5.13 0.00 0.00 4.33 8.25 -0.81 -1.10 115.22 120.76 3icr n HIS 203 Ca -0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3icr n HIS 203 Cb 0.11 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3icr n HIS 203 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3icr n LYS 205 N 0.71 0.00 0.17 -0.41 5.02 -0.46 -2.92 118.16 120.28 3icr n LYS 205 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3icr n LYS 205 Cb 0.09 0.00 0.58 0.00 -0.02 0.00 0.00 35.03 35.68 3icr n LYS 205 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3icr h ASN 206 N 0.00 0.00 -0.49 4.39 2.35 -1.36 -1.49 115.58 118.98 3icr h ASN 206 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3icr h ASN 206 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3icr h ASN 206 CO 0.00 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.19 3icr n HIS 207 N -2.43 1.67 -1.96 1.19 8.25 -1.15 -4.96 115.22 115.82 3icr n HIS 207 Ca 0.01 -0.75 -0.15 0.00 -0.26 0.00 0.00 57.72 56.57 3icr n HIS 207 Cb 0.20 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 3icr n HIS 207 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3icr n ASP 208 N 0.36 -4.66 -4.71 0.41 2.03 -0.56 -5.02 116.55 104.40 3icr n ASP 208 Ca 0.25 0.13 -0.42 0.00 0.52 0.00 0.00 54.79 55.28 3icr n ASP 208 Cb 1.07 -3.68 -0.03 0.00 -0.72 0.00 0.00 41.12 37.76 3icr n ASP 208 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3icr s VAL 209 N -2.68 4.63 -0.16 5.18 1.01 -1.26 -4.64 120.40 122.48 3icr s VAL 209 Ca 0.00 1.91 -0.26 0.00 0.00 0.00 0.00 61.98 63.63 3icr s VAL 209 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 3icr s VAL 209 CO 0.00 0.16 0.87 -0.70 0.00 0.00 0.00 175.10 175.43 3icr s GLU 210 N 0.92 4.32 -0.22 2.72 2.12 -0.57 -4.29 118.70 123.71 3icr s GLU 210 Ca 0.53 1.10 -0.06 0.00 0.36 0.00 0.00 54.97 56.89 3icr s GLU 210 Cb -0.23 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 3icr s GLU 210 CO 0.29 -0.32 0.04 -0.51 -0.54 0.00 0.00 175.26 174.21 3icr s LEU 211 N 2.11 3.41 -0.23 2.70 1.43 -1.26 -0.60 118.68 126.24 3icr s LEU 211 Ca 0.40 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3icr s LEU 211 Cb -0.17 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3icr s LEU 211 CO 0.13 0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 175.98 3icr s VAL 212 N 1.19 2.81 0.24 -1.59 1.01 0.11 -4.98 120.40 119.18 3icr s VAL 212 Ca 0.04 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.20 3icr s VAL 212 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3icr s VAL 212 CO 0.02 0.30 -0.06 -0.36 0.00 0.00 0.00 175.10 175.01 3icr s PHE 213 N 1.34 2.63 -1.59 5.22 0.08 -1.26 -1.02 117.98 123.39 3icr s PHE 213 Ca 0.02 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 56.68 3icr s PHE 213 Cb -0.16 -1.20 0.12 0.00 -0.57 0.00 0.00 43.02 41.21 3icr s PHE 213 CO -0.06 0.60 0.87 0.39 -0.10 0.00 0.00 175.22 176.92 3icr n GLU 214 N -0.55 -4.43 -4.10 0.44 1.02 -0.27 -4.93 120.64 107.82 3icr n GLU 214 Ca -0.08 0.50 -0.08 0.00 -0.02 0.00 0.00 57.16 57.48 3icr n GLU 214 Cb 0.58 -5.32 -0.10 0.00 -0.02 0.00 0.00 31.44 26.58 3icr n GLU 214 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3icr s ASP 215 N -3.24 0.41 0.19 1.62 -1.08 -1.04 -4.91 116.67 108.62 3icr s ASP 215 Ca 0.68 -1.06 -0.10 0.00 -0.52 0.00 0.00 52.55 51.55 3icr s ASP 215 Cb -0.36 0.24 -0.01 0.00 -1.46 0.00 0.00 42.92 41.34 3icr s ASP 215 CO 0.84 -0.66 0.34 -0.83 0.52 0.00 0.00 175.17 175.39 3icr s GLY 216 N -2.97 0.52 -0.11 2.66 0.00 -1.26 -4.19 107.32 101.97 3icr s GLY 216 Ca 0.13 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 3icr s GLY 216 CO -0.06 -0.78 1.42 0.14 0.00 0.00 0.00 173.10 173.83 3icr s VAL 217 N -3.99 3.98 -0.11 1.40 1.01 -1.26 0.33 120.40 121.75 3icr s VAL 217 Ca 0.20 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 3icr s VAL 217 Cb 0.02 -3.77 -0.26 0.00 0.00 0.00 0.00 36.38 32.37 3icr s VAL 217 CO 0.03 -0.10 0.43 -0.78 0.00 0.00 0.00 175.10 174.68 3icr h ASP 218 N 8.67 0.40 -5.00 3.32 1.82 -0.41 -3.44 116.42 121.78 3icr h ASP 218 Ca -0.32 -0.89 -0.10 0.00 -0.39 0.00 0.00 57.03 55.33 3icr h ASP 218 Cb 1.14 -0.13 -0.19 0.00 0.68 0.00 0.00 39.33 40.82 3icr h ASP 218 CO 0.96 1.78 -0.16 0.00 -1.61 0.00 0.00 179.24 180.21 3icr s ALA 219 N -2.53 -1.01 -0.26 -0.78 0.00 -0.81 -4.30 121.76 112.07 3icr s ALA 219 Ca -0.22 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.17 3icr s ALA 219 Cb 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3icr s ALA 219 CO 0.76 -0.32 0.12 -0.51 0.00 0.00 0.00 175.76 175.82 3icr s LEU 220 N -1.42 3.69 0.36 0.00 1.43 0.30 -0.75 118.68 122.29 3icr s LEU 220 Ca -0.12 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 3icr s LEU 220 Cb -0.03 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3icr s LEU 220 CO 0.04 -0.04 0.11 -1.61 0.23 0.00 0.00 176.35 175.09 3icr s GLU 221 N 1.66 2.26 -1.45 1.70 2.02 0.16 -4.17 118.70 120.87 3icr s GLU 221 Ca 0.07 -1.67 -0.09 0.00 0.02 0.00 0.00 54.97 53.30 3icr s GLU 221 Cb -0.15 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.06 3icr s GLU 221 CO 0.07 0.07 0.89 0.39 0.02 0.00 0.00 175.26 176.70 3icr n GLU 222 N -1.11 -5.43 -2.65 1.61 -0.58 -1.26 -1.18 120.64 110.04 3icr n GLU 222 Ca -0.03 0.62 -0.20 0.00 -0.42 0.00 0.00 57.16 57.12 3icr n GLU 222 Cb 0.62 -5.39 0.01 0.00 -0.57 0.00 0.00 31.44 26.11 3icr n GLU 222 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3icr n ASN 223 N -2.92 -5.75 0.00 1.62 3.02 -1.26 -2.27 115.26 107.69 3icr n ASN 223 Ca -0.08 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3icr n ASN 223 Cb 0.58 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 3icr n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3icr n GLY 224 N -1.24 1.10 0.21 7.41 0.00 -0.32 -2.69 105.19 109.66 3icr n GLY 224 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 3icr n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icr h ALA 225 N 0.00 1.00 -3.23 4.61 0.00 -1.20 -3.42 119.26 117.02 3icr h ALA 225 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3icr h ALA 225 Cb 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 3icr h ALA 225 CO 0.00 0.00 -0.84 0.08 0.00 0.00 0.00 179.25 178.49 3icr s VAL 226 N -3.42 1.57 -0.35 0.00 1.01 -0.50 -1.46 120.40 117.24 3icr s VAL 226 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3icr s VAL 226 Cb 0.09 -1.44 0.05 0.00 0.00 0.00 0.00 36.38 35.07 3icr s VAL 226 CO 0.54 0.46 0.13 -0.69 0.00 0.00 0.00 175.10 175.53 3icr s VAL 227 N 1.08 3.84 -0.31 2.92 1.01 0.07 0.37 120.40 129.39 3icr s VAL 227 Ca -0.04 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 3icr s VAL 227 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3icr s VAL 227 CO -0.04 -0.24 0.66 -0.13 0.00 0.00 0.00 175.10 175.35 3icr s ARG 228 N 1.40 3.90 0.36 2.72 0.52 0.08 -0.93 118.95 127.00 3icr s ARG 228 Ca -0.01 0.33 -0.19 0.00 -0.52 0.00 0.00 55.73 55.35 3icr s ARG 228 Cb -0.20 -3.73 -0.10 0.00 0.52 0.00 0.00 34.95 31.44 3icr s ARG 228 CO 0.03 -0.60 0.84 -0.51 0.02 0.00 0.00 175.30 175.08 3icr s LEU 229 N 2.67 4.05 0.24 2.53 1.43 0.13 0.29 118.68 130.03 3icr s LEU 229 Ca 0.26 1.50 -0.06 0.00 -1.03 0.00 0.00 54.13 54.80 3icr s LEU 229 Cb -0.15 -4.23 0.44 0.00 0.03 0.00 0.00 46.19 42.28 3icr s LEU 229 CO 0.12 -0.24 1.65 0.11 0.23 0.00 0.00 176.35 178.22 3icr h LYS 230 N 2.26 0.15 -0.82 1.70 1.79 -0.41 0.12 116.57 121.37 3icr h LYS 230 Ca -0.48 -0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.17 3icr h LYS 230 Cb 1.18 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.74 3icr h LYS 230 CO 0.63 0.10 0.56 0.66 -1.08 0.00 0.00 179.45 180.32 3icr h SER 231 N 0.16 0.27 0.00 0.86 4.64 -1.91 -3.46 113.55 114.10 3icr h SER 231 Ca 0.41 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3icr h SER 231 Cb 0.71 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3icr h SER 231 CO -0.60 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.09 3icr n GLY 232 N -1.57 1.68 3.73 -0.77 0.00 0.43 -5.13 105.19 103.55 3icr n GLY 232 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3icr n GLY 232 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3icr s SER 233 N -1.35 3.59 0.01 1.61 0.01 -1.25 -4.68 113.70 111.64 3icr s SER 233 Ca 0.00 1.50 0.03 0.00 1.31 0.00 0.00 55.95 58.79 3icr s SER 233 Cb 0.00 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 64.03 3icr s SER 233 CO 0.00 -2.57 -0.10 -0.69 0.41 0.00 0.00 173.24 170.30 3icr s VAL 234 N -2.94 0.76 -0.13 3.43 1.01 -1.26 0.20 120.40 121.47 3icr s VAL 234 Ca 0.63 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3icr s VAL 234 Cb -0.18 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3icr s VAL 234 CO 0.57 0.07 -0.17 -0.63 0.00 0.00 0.00 175.10 174.93 3icr s ILE 235 N -0.52 1.72 -0.12 2.22 1.01 -0.10 -4.98 121.20 120.44 3icr s ILE 235 Ca 0.01 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 3icr s ILE 235 Cb -0.05 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3icr s ILE 235 CO 0.00 0.48 0.54 -1.10 0.00 0.00 0.00 174.94 174.87 3icr s GLN 236 N 1.06 4.34 0.11 2.79 -0.21 -1.26 -0.75 119.66 125.74 3icr s GLN 236 Ca -0.03 0.55 -0.10 0.00 0.02 0.00 0.00 55.36 55.80 3icr s GLN 236 Cb -0.14 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.41 3icr s GLN 236 CO -0.04 0.09 0.24 -0.08 -2.12 0.00 0.00 175.29 173.37 3icr s THR 237 N 0.83 0.12 -1.43 -0.19 -1.32 -0.54 -4.97 115.64 108.14 3icr s THR 237 Ca 0.29 -1.11 0.14 0.00 -1.21 0.00 0.00 61.69 59.79 3icr s THR 237 Cb -0.16 -1.39 0.25 0.00 -1.51 0.00 0.00 72.50 69.69 3icr s THR 237 CO 0.12 -0.54 1.14 0.47 -2.21 0.00 0.00 174.62 173.60 3icr n ASP 238 N -0.11 2.68 -3.70 8.08 8.00 -0.32 -4.40 116.55 126.78 3icr n ASP 238 Ca -0.14 -1.80 -0.11 0.00 0.71 0.00 0.00 54.79 53.45 3icr n ASP 238 Cb 0.63 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.48 3icr n ASP 238 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3icr s LEU 240 N -1.08 -0.07 -0.22 0.64 1.02 0.13 -4.85 118.68 114.26 3icr s LEU 240 Ca 0.23 1.00 -0.04 0.00 0.02 0.00 0.00 54.13 55.34 3icr s LEU 240 Cb 0.13 1.62 -0.01 0.00 0.02 0.00 0.00 46.19 47.95 3icr s LEU 240 CO 0.19 -0.19 -0.03 -0.63 0.02 0.00 0.00 176.35 175.71 3icr s ILE 241 N 0.88 3.50 -0.26 -0.59 -1.09 -0.17 -0.16 121.20 123.31 3icr s ILE 241 Ca -0.05 -0.45 -0.21 0.00 -2.23 0.00 0.00 60.65 57.71 3icr s ILE 241 Cb -0.06 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.21 3icr s ILE 241 CO -0.07 0.42 0.68 -0.76 -1.23 0.00 0.00 174.94 173.98 3icr s LEU 242 N 1.44 4.07 -0.39 2.97 1.43 0.34 -0.93 118.68 127.61 3icr s LEU 242 Ca 0.05 0.75 0.11 0.00 -1.03 0.00 0.00 54.13 54.02 3icr s LEU 242 Cb -0.14 -2.93 0.35 0.00 0.03 0.00 0.00 46.19 43.49 3icr s LEU 242 CO -0.02 -0.42 0.75 0.00 0.23 0.00 0.00 176.35 176.89 3icr n ALA 243 N 5.81 2.26 -0.48 4.21 0.00 0.64 -4.37 120.51 128.58 3icr n ALA 243 Ca 0.01 -3.52 0.07 0.00 0.00 0.00 0.00 53.44 50.00 3icr n ALA 243 Cb 0.49 -0.91 0.33 0.00 0.00 0.00 0.00 19.45 19.36 3icr n ALA 243 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3icr n ILE 244 N 0.24 1.99 0.00 0.00 -5.35 -1.24 -4.25 119.36 110.75 3icr n ILE 244 Ca 0.26 -1.11 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 3icr n ILE 244 Cb 0.63 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 3icr n ILE 244 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3icr n GLY 245 N 0.79 -2.58 3.28 3.28 0.00 -1.26 -4.84 105.19 103.86 3icr n GLY 245 Ca 0.23 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 3icr n GLY 245 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3icr s VAL 246 N -0.86 1.37 -0.02 1.61 -7.23 -1.26 -1.14 120.40 112.88 3icr s VAL 246 Ca 0.00 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 3icr s VAL 246 Cb 0.00 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 3icr s VAL 246 CO 0.00 -0.65 -0.15 0.00 -0.31 0.00 0.00 175.10 173.99 3icr s GLN 247 N -3.54 1.29 0.42 4.82 -2.07 -0.09 -4.84 119.66 115.65 3icr s GLN 247 Ca 0.17 -0.54 -0.26 0.00 -1.82 0.00 0.00 55.36 52.91 3icr s GLN 247 Cb 0.00 -1.22 -0.09 0.00 -1.09 0.00 0.00 33.01 30.61 3icr s GLN 247 CO 0.03 0.31 1.37 -1.25 -1.32 0.00 0.00 175.29 174.43 3icr s PRO 248 N -0.28 3.86 -1.31 9.60 0.04 -1.26 -0.77 135.00 144.87 3icr s PRO 248 Ca 0.04 2.30 -0.15 0.00 0.04 0.00 0.00 61.00 63.24 3icr s PRO 248 Cb -0.07 -2.73 0.10 0.00 0.04 0.00 0.00 34.50 31.84 3icr s PRO 248 CO -0.00 -0.64 1.81 0.39 0.04 0.00 0.00 177.00 178.60 3icr n GLU 249 N 0.02 3.22 -0.32 4.56 -0.58 -0.12 -4.73 120.64 122.68 3icr n GLU 249 Ca 0.04 -3.28 0.09 0.00 -0.42 0.00 0.00 57.16 53.58 3icr n GLU 249 Cb 0.42 -3.27 0.25 0.00 -0.57 0.00 0.00 31.44 28.28 3icr n GLU 249 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3icr n SER 250 N 6.61 3.62 -0.17 1.62 3.41 -1.26 -4.63 113.62 122.82 3icr n SER 250 Ca 0.46 -2.11 0.03 0.00 -0.26 0.00 0.00 58.87 56.99 3icr n SER 250 Cb 0.42 -0.39 0.31 0.00 -0.26 0.00 0.00 64.21 64.29 3icr n SER 250 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3icr h SER 251 N 3.16 0.73 -0.62 4.04 4.64 -1.93 0.38 113.55 123.96 3icr h SER 251 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3icr h SER 251 Cb 0.96 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 3icr h SER 251 CO 0.04 0.51 0.19 -0.07 -0.87 0.00 0.00 176.83 176.64 3icr h LEU 252 N 0.85 0.90 0.83 5.97 3.38 -1.94 -0.40 115.31 124.91 3icr h LEU 252 Ca 0.27 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3icr h LEU 252 Cb 0.01 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.53 3icr h LEU 252 CO -0.07 0.87 -0.40 0.00 0.09 0.00 0.00 178.44 178.93 3icr h ALA 253 N 1.07 -1.12 -0.68 1.53 0.00 -1.60 -1.42 119.26 117.05 3icr h ALA 253 Ca 0.20 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 55.01 3icr h ALA 253 Cb 0.29 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 3icr h ALA 253 CO -0.01 -1.13 0.09 -0.22 0.00 0.00 0.00 179.25 177.99 3icr h LYS 254 N -1.13 0.19 0.00 0.00 3.64 -0.96 -0.03 116.57 118.28 3icr h LYS 254 Ca -0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3icr h LYS 254 Cb 0.86 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3icr h LYS 254 CO 0.19 0.13 -0.06 0.78 -2.27 0.00 0.00 179.45 178.22 3icr h GLY 255 N 0.20 0.00 -1.30 5.01 0.00 -0.95 -1.81 103.07 104.22 3icr h GLY 255 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3icr h GLY 255 CO -0.52 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.02 3icr n ALA 256 N -2.32 2.51 -2.13 3.60 0.00 -0.16 -4.92 120.51 117.09 3icr n ALA 256 Ca -0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 3icr n ALA 256 Cb 0.15 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3icr n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3icr n GLY 257 N 1.28 0.04 3.81 0.00 0.00 -0.68 -4.92 105.19 104.72 3icr n GLY 257 Ca 0.16 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3icr n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3icr s LEU 258 N -2.99 4.09 0.30 0.99 1.43 -0.42 -5.01 118.68 117.07 3icr s LEU 258 Ca 0.00 1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 54.49 3icr s LEU 258 Cb 0.00 -4.29 -0.10 0.00 0.03 0.00 0.00 46.19 41.83 3icr s LEU 258 CO 0.00 -0.24 1.41 0.00 0.23 0.00 0.00 176.35 177.76 3icr s ALA 259 N -1.96 3.58 0.16 4.21 0.00 -1.26 -4.51 121.76 121.98 3icr s ALA 259 Ca 0.57 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.93 3icr s ALA 259 Cb -0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3icr s ALA 259 CO 0.17 -0.77 0.15 -0.51 0.00 0.00 0.00 175.76 174.80 3icr s LEU 260 N -1.12 3.87 0.00 0.00 1.43 -1.26 -1.59 118.68 120.01 3icr s LEU 260 Ca 0.55 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3icr s LEU 260 Cb -0.42 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.32 3icr s LEU 260 CO 0.50 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.76 3icr n GLY 261 N -0.33 3.86 3.77 -3.19 0.00 0.15 -4.57 105.19 104.88 3icr n GLY 261 Ca -0.08 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3icr n GLY 261 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3icr n VAL 262 N 0.00 1.74 -2.15 1.61 0.24 -1.26 -2.62 118.33 115.90 3icr n VAL 262 Ca 0.00 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.34 61.66 3icr n VAL 262 Cb 0.00 -2.00 -0.03 0.00 -1.47 0.00 0.00 33.84 30.34 3icr n VAL 262 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3icr n ARG 263 N 0.89 -1.54 -1.13 7.34 1.74 -1.26 -2.18 116.66 120.52 3icr n ARG 263 Ca 0.03 1.04 -0.04 0.00 -0.77 0.00 0.00 57.85 58.11 3icr n ARG 263 Cb 0.38 -5.58 -0.02 0.00 -1.02 0.00 0.00 32.46 26.23 3icr n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3icr n GLY 264 N -0.87 0.71 3.75 -0.13 0.00 -1.08 -4.61 105.19 102.96 3icr n GLY 264 Ca -0.23 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 3icr n GLY 264 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3icr s THR 265 N -2.10 3.10 -0.00 2.61 -4.23 -0.93 -4.57 115.64 109.53 3icr s THR 265 Ca 0.00 0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 60.57 3icr s THR 265 Cb 0.00 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 3icr s THR 265 CO 0.00 -0.47 1.20 -0.63 -0.54 0.00 0.00 174.62 174.18 3icr s ILE 266 N -2.88 4.16 -0.05 2.99 1.01 0.57 0.31 121.20 127.31 3icr s ILE 266 Ca 0.62 1.52 -0.26 0.00 0.00 0.00 0.00 60.65 62.53 3icr s ILE 266 Cb -0.18 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3icr s ILE 266 CO 0.56 0.05 0.84 -0.75 0.00 0.00 0.00 174.94 175.64 3icr s LYS 267 N 1.69 4.48 0.19 2.79 2.20 -0.62 -1.96 119.74 128.50 3icr s LYS 267 Ca 0.57 1.13 0.07 0.00 -0.36 0.00 0.00 55.97 57.39 3icr s LYS 267 Cb -0.27 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 3icr s LYS 267 CO 0.26 -0.02 -0.14 0.14 -0.36 0.00 0.00 175.35 175.22 3icr s VAL 268 N 1.02 1.61 0.00 4.02 -7.23 -1.26 -4.26 120.40 114.30 3icr s VAL 268 Ca 0.44 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3icr s VAL 268 Cb -0.19 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3icr s VAL 268 CO 0.22 -0.60 0.00 -0.46 -0.31 0.00 0.00 175.10 173.95 3icr n ASN 269 N -0.26 0.00 0.28 4.85 0.23 -0.43 -4.90 115.26 115.03 3icr n ASN 269 Ca -0.09 -0.73 0.19 0.00 -0.53 0.00 0.00 54.58 53.42 3icr n ASN 269 Cb 0.60 0.00 0.95 0.00 -2.08 0.00 0.00 39.78 39.25 3icr n ASN 269 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3icr h GLU 270 N 0.00 0.00 -0.36 -3.83 3.07 -1.97 -1.77 114.58 109.72 3icr h GLU 270 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3icr h GLU 270 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3icr h GLU 270 CO 0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 3icr n LYS 271 N -2.83 3.11 -0.94 2.33 5.02 -1.26 -4.21 118.16 119.38 3icr n LYS 271 Ca -0.02 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.69 3icr n LYS 271 Cb 0.11 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3icr n LYS 271 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3icr n PHE 272 N 0.16 0.00 -2.46 2.13 3.01 -0.67 -4.97 117.46 114.66 3icr n PHE 272 Ca 0.19 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.23 3icr n PHE 272 Cb 0.74 -1.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.05 3icr n PHE 272 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3icr s GLN 273 N -1.07 4.51 0.16 -1.08 0.74 -1.26 -1.23 119.66 120.44 3icr s GLN 273 Ca 0.00 1.76 -0.03 0.00 0.05 0.00 0.00 55.36 57.14 3icr s GLN 273 Cb 0.00 -3.30 0.04 0.00 1.10 0.00 0.00 33.01 30.85 3icr s GLN 273 CO 0.00 -0.08 0.17 0.25 -0.55 0.00 0.00 175.29 175.08 3icr n THR 274 N 3.03 0.00 0.63 -0.34 -2.24 -0.05 -1.31 114.28 114.00 3icr n THR 274 Ca 0.05 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 3icr n THR 274 Cb 0.46 -1.43 0.36 0.00 -2.10 0.00 0.00 70.33 67.62 3icr n THR 274 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3icr n SER 275 N -3.20 0.00 -4.54 3.42 3.41 -1.26 -4.45 113.62 106.99 3icr n SER 275 Ca 0.02 0.32 -0.35 0.00 -0.26 0.00 0.00 58.87 58.60 3icr n SER 275 Cb 0.08 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.51 3icr n SER 275 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3icr s ASP 276 N -2.83 5.39 0.60 4.04 2.15 -1.26 -5.00 116.67 119.76 3icr s ASP 276 Ca 0.11 -0.06 0.30 0.00 0.43 0.00 0.00 52.55 53.33 3icr s ASP 276 Cb 0.10 -1.94 1.74 0.00 -0.30 0.00 0.00 42.92 42.52 3icr s ASP 276 CO 0.27 0.07 2.12 1.55 -0.17 0.00 0.00 175.17 179.01 3icr h PRO 277 N 7.45 0.00 -0.02 4.34 0.13 -1.98 -1.49 132.00 140.42 3icr h PRO 277 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3icr h PRO 277 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3icr h PRO 277 CO 0.63 0.00 -0.18 0.72 -0.23 0.00 0.00 178.00 178.94 3icr n HIS 278 N -3.66 0.00 -4.52 1.56 8.25 -1.26 -4.89 115.22 110.70 3icr n HIS 278 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 3icr n HIS 278 Cb 0.29 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.23 3icr n HIS 278 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3icr s ILE 279 N -2.19 2.06 0.27 1.59 1.01 -0.56 -0.83 121.20 122.55 3icr s ILE 279 Ca 0.25 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.02 3icr s ILE 279 Cb 0.19 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3icr s ILE 279 CO 0.41 0.55 0.08 -0.31 0.00 0.00 0.00 174.94 175.67 3icr s TYR 280 N 0.95 2.85 -0.08 3.97 1.51 0.94 -0.87 117.35 126.62 3icr s TYR 280 Ca -0.04 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 3icr s TYR 280 Cb -0.15 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.42 3icr s TYR 280 CO -0.05 0.56 0.29 0.00 -1.11 0.00 0.00 175.55 175.24 3icr s ALA 281 N -2.26 -0.72 0.25 3.71 0.00 -0.37 -0.46 121.76 121.91 3icr s ALA 281 Ca 0.33 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 3icr s ALA 281 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3icr s ALA 281 CO 0.22 -0.18 0.35 0.96 0.00 0.00 0.00 175.76 177.12 3icr s ILE 282 N -0.37 0.00 0.00 0.00 -4.36 -0.66 -4.79 121.20 111.02 3icr s ILE 282 Ca -0.05 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 3icr s ILE 282 Cb -0.03 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.28 3icr s ILE 282 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 3icr n GLY 283 N -0.39 -1.78 0.35 6.27 0.00 -1.26 -4.22 105.19 104.16 3icr n GLY 283 Ca 0.00 -1.70 0.18 0.00 0.00 0.00 0.00 46.02 44.51 3icr n GLY 283 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3icr h ASP 284 N 0.00 0.00 1.16 1.61 3.32 -1.89 -2.39 116.42 118.23 3icr h ASP 284 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3icr h ASP 284 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3icr h ASP 284 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3icr h ALA 285 N 1.69 1.00 -2.31 3.45 0.00 -1.72 -3.44 119.26 117.93 3icr h ALA 285 Ca 0.13 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.55 3icr h ALA 285 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3icr h ALA 285 CO -0.00 0.00 -0.37 0.96 0.00 0.00 0.00 179.25 179.83 3icr s ILE 286 N -3.46 5.23 0.11 0.00 -4.36 -0.90 -0.32 121.20 117.50 3icr s ILE 286 Ca 0.04 -0.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.38 3icr s ILE 286 Cb 0.09 -3.82 -0.06 0.00 1.25 0.00 0.00 42.46 39.92 3icr s ILE 286 CO 0.53 -0.31 0.98 -0.70 0.24 0.00 0.00 174.94 175.68 3icr s GLU 287 N -3.83 4.67 0.29 0.37 2.12 -0.83 -4.71 118.70 116.79 3icr s GLU 287 Ca 0.36 1.47 0.08 0.00 0.36 0.00 0.00 54.97 57.24 3icr s GLU 287 Cb -0.10 -3.38 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 3icr s GLU 287 CO 0.30 0.17 -0.09 0.14 -0.54 0.00 0.00 175.26 175.24 3icr s VAL 288 N 0.09 1.91 -0.06 3.70 -7.23 -0.63 -4.62 120.40 113.56 3icr s VAL 288 Ca 0.48 -2.18 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 3icr s VAL 288 Cb -0.24 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 3icr s VAL 288 CO 0.30 -0.30 0.34 -0.54 -0.31 0.00 0.00 175.10 174.59 3icr s LYS 289 N -3.66 3.92 0.45 4.82 1.02 -1.26 -0.54 119.74 124.48 3icr s LYS 289 Ca 0.30 0.26 -0.23 0.00 0.02 0.00 0.00 55.97 56.32 3icr s LYS 289 Cb 0.02 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 33.99 3icr s LYS 289 CO 0.13 0.59 1.17 0.16 -0.92 0.00 0.00 175.35 176.49 3icr s ASP 290 N -0.69 6.25 0.20 2.83 1.47 -0.32 -0.74 116.67 125.66 3icr s ASP 290 Ca 0.21 2.33 -0.09 0.00 1.18 0.00 0.00 52.55 56.18 3icr s ASP 290 Cb -0.15 -2.61 0.13 0.00 -0.34 0.00 0.00 42.92 39.95 3icr s ASP 290 CO 0.10 -0.87 1.74 0.15 0.68 0.00 0.00 175.17 176.97 3icr h PHE 291 N 2.19 1.16 -0.06 2.11 3.57 -1.50 0.14 116.94 124.56 3icr h PHE 291 Ca -0.49 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 60.87 3icr h PHE 291 Cb 1.24 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 3icr h PHE 291 CO 0.54 0.92 -0.05 0.28 -2.23 0.00 0.00 178.31 177.76 3icr h VAL 292 N 1.07 1.36 -0.00 1.41 2.07 -1.91 -3.36 116.25 116.89 3icr h VAL 292 Ca 0.24 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3icr h VAL 292 Cb 0.29 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3icr h VAL 292 CO -0.01 0.32 -0.25 0.35 0.02 0.00 0.00 177.57 178.00 3icr n THR 293 N -4.75 0.00 -3.14 2.57 -2.24 -1.24 -5.01 114.28 100.48 3icr n THR 293 Ca -0.07 -0.37 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 3icr n THR 293 Cb 0.28 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.58 3icr n THR 293 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3icr n GLU 294 N -0.92 -5.43 -3.26 -0.78 1.02 0.48 -4.98 120.64 106.77 3icr n GLU 294 Ca 0.02 0.89 -0.39 0.00 -0.02 0.00 0.00 57.16 57.66 3icr n GLU 294 Cb 0.11 -5.79 -0.06 0.00 -0.02 0.00 0.00 31.44 25.69 3icr n GLU 294 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3icr s THR 295 N -3.20 4.83 0.18 2.62 2.01 -1.26 -4.71 115.64 116.12 3icr s THR 295 Ca 0.36 1.20 -0.31 0.00 0.31 0.00 0.00 61.69 63.25 3icr s THR 295 Cb -0.16 -3.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.36 3icr s THR 295 CO 0.45 0.50 1.48 -1.61 -0.69 0.00 0.00 174.62 174.74 3icr s GLU 296 N -0.71 4.26 0.00 4.92 8.01 -1.26 -1.17 118.70 132.75 3icr s GLU 296 Ca 0.29 2.27 0.00 0.00 0.01 0.00 0.00 54.97 57.54 3icr s GLU 296 Cb -0.19 -3.16 0.00 0.00 -4.31 0.00 0.00 34.13 26.47 3icr s GLU 296 CO 0.18 -0.49 0.00 -2.37 0.01 0.00 0.00 175.26 172.58 3icr n THR 297 N 3.37 0.00 0.00 3.63 5.66 0.30 -4.92 114.28 122.32 3icr n THR 297 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 3icr n THR 297 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 3icr n THR 297 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3icr n ILE 299 N 0.00 0.00 -2.53 1.09 5.41 -1.26 -1.61 119.36 120.46 3icr n ILE 299 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 3icr n ILE 299 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 3icr n ILE 299 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3icr s PRO 300 N 0.00 3.73 0.14 0.38 0.04 -1.26 -4.90 135.00 133.13 3icr s PRO 300 Ca 0.00 -1.60 0.05 0.00 0.04 0.00 0.00 61.00 59.49 3icr s PRO 300 Cb 0.00 -5.45 -0.04 0.00 0.04 0.00 0.00 34.50 29.05 3icr s PRO 300 CO 0.00 -2.37 -0.11 -0.51 0.04 0.00 0.00 177.00 174.05 3icr s LEU 301 N 5.02 2.49 0.07 -3.56 1.43 -1.26 -5.03 118.68 117.85 3icr s LEU 301 Ca 0.52 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 3icr s LEU 301 Cb 0.02 -0.42 -0.24 0.00 0.03 0.00 0.00 46.19 45.58 3icr s LEU 301 CO 0.02 -0.27 1.16 0.00 0.23 0.00 0.00 176.35 177.50 3icr h ALA 302 N 3.01 0.10 0.08 4.21 0.00 -1.97 -2.60 119.26 122.10 3icr h ALA 302 Ca -0.37 -0.75 0.01 0.00 0.00 0.00 0.00 54.91 53.79 3icr h ALA 302 Cb 1.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3icr h ALA 302 CO 0.59 0.73 -0.13 2.35 0.00 0.00 0.00 179.25 182.80 3icr h TRP 303 N 0.29 -0.32 -0.41 0.00 7.01 -1.98 -0.55 115.95 119.98 3icr h TRP 303 Ca -0.15 0.01 0.05 0.00 2.11 0.00 0.00 58.89 60.91 3icr h TRP 303 Cb 1.81 0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 28.95 3icr h TRP 303 CO 0.10 -0.19 0.13 -1.35 -2.79 0.00 0.00 178.44 174.34 3icr h PRO 304 N -0.26 0.28 -0.53 2.65 0.11 -1.94 0.19 132.00 132.49 3icr h PRO 304 Ca 0.02 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.19 3icr h PRO 304 Cb 0.27 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.25 3icr h PRO 304 CO -0.07 0.18 0.18 0.00 -0.21 0.00 0.00 178.00 178.09 3icr h ALA 305 N 1.28 0.66 -0.40 -0.75 0.00 -1.23 0.31 119.26 119.13 3icr h ALA 305 Ca 0.19 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3icr h ALA 305 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3icr h ALA 305 CO -0.21 -0.22 -0.27 -0.91 0.00 0.00 0.00 179.25 177.64 3icr h ASN 306 N 0.36 0.87 -0.45 0.00 2.35 -0.80 -1.56 115.58 116.35 3icr h ASN 306 Ca 0.26 -0.34 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 3icr h ASN 306 Cb 0.30 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3icr h ASN 306 CO -0.27 1.09 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.44 3icr h ARG 307 N 0.72 0.85 -0.31 0.81 9.65 0.02 -2.02 114.38 124.10 3icr h ARG 307 Ca 0.09 -0.30 -0.03 0.00 -1.10 0.00 0.00 59.98 58.64 3icr h ARG 307 Cb 0.82 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 3icr h ARG 307 CO 0.07 0.93 0.09 1.96 2.80 0.00 0.00 179.97 185.83 3icr h GLN 308 N 0.69 0.48 -0.57 0.20 4.20 -0.26 -2.92 115.11 116.93 3icr h GLN 308 Ca 0.12 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3icr h GLN 308 Cb 0.59 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 3icr h GLN 308 CO 0.04 0.53 0.11 0.78 -0.67 0.00 0.00 178.83 179.62 3icr h GLY 309 N 0.34 0.96 -1.27 3.46 0.00 -1.24 0.11 103.07 105.43 3icr h GLY 309 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3icr h GLY 309 CO -0.00 0.54 0.00 -2.13 0.00 0.00 0.00 176.54 174.95 3icr n ARG 310 N -4.25 0.57 0.00 4.80 3.00 -0.77 -2.65 116.66 117.36 3icr n ARG 310 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 3icr n ARG 310 Cb 0.25 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.44 3icr n ARG 310 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3icr n LEU 312 N 0.35 0.00 -0.16 6.15 7.94 0.39 -3.49 117.00 128.19 3icr n LEU 312 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 3icr n LEU 312 Cb 0.18 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.19 3icr n LEU 312 CO 0.00 0.00 0.93 0.00 -1.11 0.00 0.00 177.39 177.21 3icr h ALA 313 N 0.00 0.57 -0.59 1.96 0.00 -1.76 0.20 119.26 119.64 3icr h ALA 313 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3icr h ALA 313 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3icr h ALA 313 CO 0.00 -0.27 0.37 -0.44 0.00 0.00 0.00 179.25 178.90 3icr h ASP 314 N 0.28 0.69 -0.48 0.00 3.32 -1.87 -2.91 116.42 115.45 3icr h ASP 314 Ca 0.24 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3icr h ASP 314 Cb 0.30 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3icr h ASP 314 CO -0.29 0.53 0.25 0.40 -1.72 0.00 0.00 179.24 178.41 3icr h ILE 315 N 0.79 1.18 -0.51 0.35 2.04 -1.41 0.54 117.51 120.49 3icr h ILE 315 Ca 0.21 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3icr h ILE 315 Cb -0.05 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3icr h ILE 315 CO -0.04 0.19 0.34 0.40 0.00 0.00 0.00 178.15 179.04 3icr h ILE 316 N 0.64 1.01 -0.32 -0.67 2.04 -0.55 -0.44 117.51 119.22 3icr h ILE 316 Ca 0.17 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3icr h ILE 316 Cb 0.08 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3icr h ILE 316 CO -0.02 0.09 0.00 1.41 0.00 0.00 0.00 178.15 179.63 3icr n HIS 317 N -4.47 1.00 -1.02 1.37 8.25 -0.80 -4.91 115.22 114.64 3icr n HIS 317 Ca 0.06 -0.36 -0.01 0.00 -0.26 0.00 0.00 57.72 57.16 3icr n HIS 317 Cb 0.20 -0.26 -0.00 0.00 1.12 0.00 0.00 29.99 31.05 3icr n HIS 317 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3icr n GLY 318 N 0.49 0.45 3.42 -1.41 0.00 -0.17 -4.97 105.19 103.00 3icr n GLY 318 Ca 0.14 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3icr n GLY 318 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3icr s HIS 319 N -1.86 3.66 -0.55 1.61 3.76 0.12 -4.79 115.29 117.23 3icr s HIS 319 Ca 0.00 -2.18 0.14 0.00 -0.15 0.00 0.00 55.06 52.88 3icr s HIS 319 Cb 0.00 -4.16 0.45 0.00 1.11 0.00 0.00 32.58 29.98 3icr s HIS 319 CO 0.00 -1.27 1.37 0.25 -0.85 0.00 0.00 174.74 174.24 3icr n THR 320 N 4.21 1.72 -0.04 1.30 -2.24 -1.26 -3.81 114.28 114.16 3icr n THR 320 Ca 0.31 -1.46 0.09 0.00 -2.27 0.00 0.00 64.05 60.72 3icr n THR 320 Cb 0.43 0.09 0.49 0.00 -2.10 0.00 0.00 70.33 69.23 3icr n THR 320 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3icr h ASP 321 N 2.07 0.37 -3.28 3.42 5.19 -1.98 -3.38 116.42 118.83 3icr h ASP 321 Ca 0.00 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.75 3icr h ASP 321 Cb 1.15 -0.08 -0.30 0.00 0.18 0.00 0.00 39.33 40.28 3icr h ASP 321 CO 0.13 0.24 -0.79 -0.55 -3.12 0.00 0.00 179.24 175.16 3icr s SER 322 N -6.43 3.76 0.29 6.45 0.15 -1.26 -5.12 113.70 111.53 3icr s SER 322 Ca -0.08 -0.46 0.11 0.00 0.70 0.00 0.00 55.95 56.22 3icr s SER 322 Cb 0.19 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.85 3icr s SER 322 CO 0.74 0.06 -0.17 -0.76 1.20 0.00 0.00 173.24 174.31 3icr s LEU 323 N 0.96 2.61 0.21 3.45 1.43 -1.26 -4.97 118.68 121.11 3icr s LEU 323 Ca -0.02 -1.07 -0.32 0.00 -1.03 0.00 0.00 54.13 51.68 3icr s LEU 323 Cb -0.15 -1.02 -0.12 0.00 0.03 0.00 0.00 46.19 44.93 3icr s LEU 323 CO -0.02 -0.05 1.73 0.00 0.23 0.00 0.00 176.35 178.24 3icr n TYR 324 N -0.64 2.77 0.76 0.29 9.36 -1.26 -4.88 117.16 123.56 3icr n TYR 324 Ca -0.05 0.04 0.09 0.00 3.32 0.00 0.00 57.90 61.29 3icr n TYR 324 Cb 0.61 -2.68 0.26 0.00 -0.63 0.00 0.00 39.34 36.90 3icr n TYR 324 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3icr n LYS 325 N 3.94 2.00 0.00 2.98 4.76 -1.26 -5.04 118.16 125.54 3icr n LYS 325 Ca 0.16 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 54.07 3icr n LYS 325 Cb 0.35 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3icr n LYS 325 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3icr n GLY 326 N 1.22 0.48 3.62 0.72 0.00 -1.26 -4.54 105.19 105.43 3icr n GLY 326 Ca 0.16 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 3icr n GLY 326 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icr s THR 327 N -1.77 4.96 0.17 2.61 2.01 0.08 -4.65 115.64 119.04 3icr s THR 327 Ca 0.00 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 3icr s THR 327 Cb 0.00 -3.28 -0.13 0.00 0.01 0.00 0.00 72.50 69.10 3icr s THR 327 CO 0.00 0.39 1.40 0.25 -0.69 0.00 0.00 174.62 175.97 3icr h LEU 328 N 7.29 0.46 0.00 4.42 6.46 -1.93 -1.46 115.31 130.55 3icr h LEU 328 Ca -0.38 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.06 3icr h LEU 328 Cb 1.17 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 3icr h LEU 328 CO 0.66 1.08 0.00 0.61 -0.62 0.00 0.00 178.44 180.18 3icr n GLY 329 N 0.67 1.12 3.68 3.75 0.00 -1.26 -1.59 105.19 111.56 3icr n GLY 329 Ca -0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3icr n GLY 329 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icr s THR 330 N -2.00 3.52 0.09 2.61 2.01 -1.26 -4.15 115.64 116.46 3icr s THR 330 Ca 0.00 0.87 -0.10 0.00 0.31 0.00 0.00 61.69 62.77 3icr s THR 330 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.96 3icr s THR 330 CO 0.00 -0.02 0.21 -0.94 -0.69 0.00 0.00 174.62 173.19 3icr s SER 331 N 2.30 0.07 -0.07 3.53 1.04 0.89 -4.98 113.70 116.49 3icr s SER 331 Ca 0.68 -0.58 -0.18 0.00 0.48 0.00 0.00 55.95 56.34 3icr s SER 331 Cb -0.34 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.17 3icr s SER 331 CO 0.28 -0.73 0.43 0.54 0.98 0.00 0.00 173.24 174.74 3icr s VAL 332 N -3.73 0.03 -0.02 5.02 0.11 -1.26 -1.01 120.40 119.53 3icr s VAL 332 Ca 0.04 -0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.80 3icr s VAL 332 Cb 0.04 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 3icr s VAL 332 CO -0.10 -0.12 0.13 0.00 -3.33 0.00 0.00 175.10 171.67 3icr s ALA 333 N -0.79 -0.32 -0.12 1.54 0.00 0.70 -5.00 121.76 117.78 3icr s ALA 333 Ca -0.09 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 3icr s ALA 333 Cb -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3icr s ALA 333 CO 0.04 -0.14 0.77 0.21 0.00 0.00 0.00 175.76 176.65 3icr s LYS 334 N -0.69 4.37 -0.46 0.00 2.20 -1.26 -0.50 119.74 123.40 3icr s LYS 334 Ca -0.08 0.96 0.03 0.00 -0.36 0.00 0.00 55.97 56.52 3icr s LYS 334 Cb -0.05 -3.51 0.13 0.00 -1.51 0.00 0.00 37.83 32.89 3icr s LYS 334 CO 0.01 -0.14 0.24 0.08 -0.36 0.00 0.00 175.35 175.18 3icr s VAL 335 N 1.49 1.78 0.00 4.02 1.01 0.58 -4.71 120.40 124.57 3icr s VAL 335 Ca 0.38 -2.77 0.00 0.00 0.00 0.00 0.00 61.98 59.59 3icr s VAL 335 Cb -0.17 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3icr s VAL 335 CO 0.16 -0.85 0.00 0.49 0.00 0.00 0.00 175.10 174.89 3icr n PHE 336 N 3.45 0.00 1.37 5.22 3.72 -1.26 -0.95 117.46 129.00 3icr n PHE 336 Ca 0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.61 3icr n PHE 336 Cb 0.34 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.33 3icr n PHE 336 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3icr n ASP 337 N 7.73 1.29 -4.78 4.37 5.75 -1.26 -4.89 116.55 124.76 3icr n ASP 337 Ca 0.00 -1.21 -0.31 0.00 -0.01 0.00 0.00 54.79 53.26 3icr n ASP 337 Cb 0.00 0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 40.09 3icr n ASP 337 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3icr s LEU 338 N -2.24 3.81 -0.11 -2.12 2.96 -0.13 -4.41 118.68 116.45 3icr s LEU 338 Ca 0.31 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3icr s LEU 338 Cb 0.20 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 3icr s LEU 338 CO 0.42 0.18 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.70 3icr s THR 339 N -1.36 3.80 -0.10 3.68 2.01 0.17 -0.31 115.64 123.53 3icr s THR 339 Ca 0.29 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.88 3icr s THR 339 Cb -0.12 -2.61 0.02 0.00 0.01 0.00 0.00 72.50 69.80 3icr s THR 339 CO 0.21 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 3icr s VAL 340 N -0.27 1.33 0.09 3.82 1.01 0.35 -2.51 120.40 124.22 3icr s VAL 340 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3icr s VAL 340 Cb -0.13 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3icr s VAL 340 CO 0.02 0.41 -0.10 0.00 0.00 0.00 0.00 175.10 175.44 3icr s ALA 341 N 1.02 1.06 0.02 5.51 0.00 0.26 -0.22 121.76 129.41 3icr s ALA 341 Ca -0.07 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 3icr s ALA 341 Cb -0.15 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3icr s ALA 341 CO -0.01 -0.06 0.26 -0.08 0.00 0.00 0.00 175.76 175.88 3icr s THR 342 N -2.49 0.08 0.01 0.00 -1.32 -0.18 -1.22 115.64 110.52 3icr s THR 342 Ca 0.05 -0.66 -0.21 0.00 -1.21 0.00 0.00 61.69 59.66 3icr s THR 342 Cb -0.03 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 3icr s THR 342 CO -0.00 -0.36 0.47 0.28 -2.21 0.00 0.00 174.62 172.79 3icr s THR 343 N -2.03 0.04 0.00 5.08 -1.32 -0.70 -0.08 115.64 116.64 3icr s THR 343 Ca -0.09 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 3icr s THR 343 Cb -0.03 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 3icr s THR 343 CO -0.00 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 3icr n GLY 344 N 0.73 1.55 3.67 6.08 0.00 -0.62 -1.86 105.19 114.74 3icr n GLY 344 Ca -0.19 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 3icr n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3icr s LEU 345 N 0.00 3.41 0.62 0.99 1.43 0.89 -4.86 118.68 121.16 3icr s LEU 345 Ca 0.00 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3icr s LEU 345 Cb 0.00 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 44.16 3icr s LEU 345 CO 0.00 0.18 0.86 0.54 0.23 0.00 0.00 176.35 178.17 3icr s ASN 346 N -2.24 4.87 0.23 2.29 2.20 -1.26 -3.99 114.94 117.04 3icr s ASN 346 Ca 0.25 -0.26 -0.07 0.00 -0.94 0.00 0.00 52.86 51.83 3icr s ASN 346 Cb -0.12 -0.38 0.25 0.00 -2.00 0.00 0.00 41.25 39.01 3icr s ASN 346 CO 0.17 -1.46 1.87 -0.33 -2.94 0.00 0.00 177.10 174.41 3icr h GLU 347 N -0.16 1.01 -0.45 3.55 5.08 -1.96 -2.33 114.58 119.32 3icr h GLU 347 Ca -0.38 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3icr h GLU 347 Cb 1.28 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 3icr h GLU 347 CO 0.46 0.67 0.22 0.87 -1.00 0.00 0.00 179.01 180.23 3icr h LYS 348 N 1.04 0.43 -0.49 2.33 1.57 -1.97 -0.41 116.57 119.09 3icr h LYS 348 Ca 0.33 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 3icr h LYS 348 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3icr h LYS 348 CO -0.12 0.29 0.13 0.82 -0.57 0.00 0.00 179.45 180.00 3icr h ILE 349 N 0.45 1.23 -0.42 1.86 2.04 -1.93 -2.52 117.51 118.22 3icr h ILE 349 Ca 0.20 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.15 3icr h ILE 349 Cb 0.11 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3icr h ILE 349 CO -0.14 0.29 -0.12 -0.07 0.00 0.00 0.00 178.15 178.11 3icr h LEU 350 N 0.66 0.76 -0.52 1.44 3.38 -0.84 -1.30 115.31 118.89 3icr h LEU 350 Ca 0.15 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3icr h LEU 350 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3icr h LEU 350 CO -0.00 0.90 0.08 0.11 0.09 0.00 0.00 178.44 179.62 3icr h LYS 351 N 0.69 0.87 -0.86 1.13 1.57 -1.10 -1.24 116.57 117.61 3icr h LYS 351 Ca 0.11 -0.23 0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3icr h LYS 351 Cb 0.60 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 3icr h LYS 351 CO 0.04 0.85 0.56 -0.09 -0.57 0.00 0.00 179.45 180.24 3icr h ARG 352 N 0.75 0.75 -0.09 3.15 2.43 -0.98 -1.86 114.38 118.53 3icr h ARG 352 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3icr h ARG 352 Cb 0.41 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3icr h ARG 352 CO 0.01 0.49 0.00 1.28 -1.51 0.00 0.00 179.97 180.24 3icr n LEU 353 N -4.54 1.80 -3.69 3.80 4.77 -0.54 -4.96 117.00 113.65 3icr n LEU 353 Ca 0.16 -0.67 -0.23 0.00 -0.03 0.00 0.00 56.01 55.23 3icr n LEU 353 Cb 0.38 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3icr n LEU 353 CO 0.31 0.33 0.06 0.59 -1.33 0.00 0.00 177.39 177.35 3icr n ASN 354 N 0.41 -3.10 -4.50 -1.43 4.13 -0.63 -4.98 115.26 105.14 3icr n ASN 354 Ca 0.18 -0.73 -0.36 0.00 1.68 0.00 0.00 54.58 55.35 3icr n ASN 354 Cb 0.38 -4.36 -0.12 0.00 -1.54 0.00 0.00 39.78 34.15 3icr n ASN 354 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3icr s ILE 355 N -3.46 4.42 0.17 2.41 1.01 -0.57 -5.04 121.20 120.13 3icr s ILE 355 Ca 0.27 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 3icr s ILE 355 Cb -0.13 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 3icr s ILE 355 CO 0.79 0.38 1.30 -2.16 0.00 0.00 0.00 174.94 175.26 3icr s PRO 356 N 1.16 4.39 0.18 2.79 0.04 -1.26 -4.64 135.00 137.65 3icr s PRO 356 Ca 0.04 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 3icr s PRO 356 Cb -0.14 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 3icr s PRO 356 CO 0.03 -0.28 0.19 1.52 0.04 0.00 0.00 177.00 178.51 3icr s TYR 357 N 0.40 0.79 0.17 0.56 1.13 -1.26 -4.71 117.35 114.43 3icr s TYR 357 Ca 0.58 -1.11 0.08 0.00 -1.41 0.00 0.00 57.07 55.22 3icr s TYR 357 Cb -0.35 -0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.14 3icr s TYR 357 CO 0.35 -0.67 -0.17 -1.21 -2.51 0.00 0.00 175.55 171.34 3icr s GLU 358 N -4.06 1.28 0.19 -3.49 0.41 0.20 -4.91 118.70 108.32 3icr s GLU 358 Ca 0.27 -1.44 0.08 0.00 -0.41 0.00 0.00 54.97 53.47 3icr s GLU 358 Cb 0.05 -1.27 -0.05 0.00 -1.78 0.00 0.00 34.13 31.09 3icr s GLU 358 CO 0.06 0.25 -0.15 0.14 -0.49 0.00 0.00 175.26 175.07 3icr s VAL 359 N -2.25 1.72 0.02 2.63 -7.23 -1.26 -1.46 120.40 112.58 3icr s VAL 359 Ca 0.17 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 3icr s VAL 359 Cb -0.05 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 3icr s VAL 359 CO 0.07 -0.54 -0.05 0.54 -0.31 0.00 0.00 175.10 174.81 3icr s VAL 360 N -2.75 0.33 -0.21 1.32 0.11 -0.57 -5.00 120.40 113.63 3icr s VAL 360 Ca 0.20 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 3icr s VAL 360 Cb -0.02 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3icr s VAL 360 CO 0.06 -0.25 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.45 3icr s HIS 361 N -0.94 2.79 -0.19 1.54 3.76 -1.26 -1.48 115.29 119.51 3icr s HIS 361 Ca -0.08 -1.83 0.01 0.00 -0.15 0.00 0.00 55.06 53.01 3icr s HIS 361 Cb -0.07 -1.81 0.03 0.00 1.11 0.00 0.00 32.58 31.83 3icr s HIS 361 CO -0.00 -0.80 -0.18 0.08 -0.85 0.00 0.00 174.74 172.99 3icr s VAL 362 N 1.27 2.03 -0.12 -0.90 1.01 0.09 -3.94 120.40 119.84 3icr s VAL 362 Ca -0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 3icr s VAL 362 Cb -0.16 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3icr s VAL 362 CO -0.09 0.43 0.38 -1.58 0.00 0.00 0.00 175.10 174.24 3icr s GLN 363 N 1.28 4.22 0.01 2.72 0.74 -1.26 -0.40 119.66 126.98 3icr s GLN 363 Ca 0.02 0.27 -0.16 0.00 0.05 0.00 0.00 55.36 55.54 3icr s GLN 363 Cb -0.14 -3.39 0.03 0.00 1.10 0.00 0.00 33.01 30.60 3icr s GLN 363 CO -0.11 0.29 0.35 0.00 -0.55 0.00 0.00 175.29 175.26 3icr s ALA 364 N 0.27 -0.85 0.31 1.58 0.00 -0.20 -4.96 121.76 117.90 3icr s ALA 364 Ca 0.21 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 3icr s ALA 364 Cb -0.14 0.21 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 3icr s ALA 364 CO 0.08 -0.36 1.15 -0.80 0.00 0.00 0.00 175.76 175.83 3icr s ASN 365 N -1.70 7.08 0.38 0.00 0.01 -1.26 -0.24 114.94 119.22 3icr s ASN 365 Ca -0.09 2.35 0.15 0.00 -0.71 0.00 0.00 52.86 54.56 3icr s ASN 365 Cb -0.03 -2.63 1.01 0.00 0.41 0.00 0.00 41.25 40.01 3icr s ASN 365 CO 0.01 -0.28 1.79 0.77 -1.51 0.00 0.00 177.10 177.88 3icr h SER 366 N 3.57 0.52 -5.35 -1.22 4.64 -0.65 -3.43 113.55 111.62 3icr h SER 366 Ca -0.47 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 3icr h SER 366 Cb 1.22 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 3icr h SER 366 CO 0.66 0.15 -0.09 -1.38 -0.87 0.00 0.00 176.83 175.30 3icr s HIS 367 N -5.57 0.70 0.14 4.77 -3.43 -1.26 -4.06 115.29 106.58 3icr s HIS 367 Ca -0.09 -1.05 -0.35 0.00 -0.80 0.00 0.00 55.06 52.77 3icr s HIS 367 Cb 0.25 0.15 -0.15 0.00 -1.43 0.00 0.00 32.58 31.39 3icr s HIS 367 CO 0.79 -1.17 1.36 0.00 -2.00 0.00 0.00 174.74 173.73 3icr n ALA 368 N -0.50 -0.18 0.28 -1.38 0.00 -0.13 -4.79 120.51 113.81 3icr n ALA 368 Ca -0.01 0.48 0.17 0.00 0.00 0.00 0.00 53.44 54.08 3icr n ALA 368 Cb 0.61 -2.15 0.75 0.00 0.00 0.00 0.00 19.45 18.67 3icr n ALA 368 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3icr h GLY 369 N 4.55 0.00 2.00 0.00 0.00 -1.92 -1.94 103.07 105.75 3icr h GLY 369 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3icr h GLY 369 CO 0.78 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.90 3icr n TYR 370 N -3.16 0.16 -4.04 5.60 0.18 -1.26 -4.74 117.16 109.90 3icr n TYR 370 Ca -0.00 0.05 -0.36 0.00 1.88 0.00 0.00 57.90 59.48 3icr n TYR 370 Cb 0.28 -0.59 -0.08 0.00 -0.38 0.00 0.00 39.34 38.57 3icr n TYR 370 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3icr s TYR 371 N -3.04 3.38 0.67 -3.48 6.14 -0.73 -5.07 117.35 115.20 3icr s TYR 371 Ca 0.10 0.31 -0.17 0.00 0.64 0.00 0.00 57.07 57.94 3icr s TYR 371 Cb 0.13 -1.95 -0.03 0.00 0.42 0.00 0.00 41.96 40.54 3icr s TYR 371 CO 0.40 0.49 0.85 -2.30 0.64 0.00 0.00 175.55 175.63 3icr n PRO 372 N 2.51 0.61 -2.67 4.97 -0.02 -1.26 -3.73 135.00 135.41 3icr n PRO 372 Ca -0.18 0.25 -0.20 0.00 -2.02 0.00 0.00 63.50 61.35 3icr n PRO 372 Cb 0.54 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 3icr n PRO 372 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3icr n ASN 373 N -0.93 -5.62 -4.77 2.55 3.02 -1.26 -5.00 115.26 103.25 3icr n ASN 373 Ca 0.13 -0.15 -0.40 0.00 -0.03 0.00 0.00 54.58 54.13 3icr n ASN 373 Cb 0.49 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 3icr n ASN 373 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3icr s ALA 374 N -3.04 3.35 0.02 5.41 0.00 -1.24 -4.95 121.76 121.31 3icr s ALA 374 Ca 0.15 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.14 3icr s ALA 374 Cb -0.06 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3icr s ALA 374 CO 0.18 -0.41 -0.08 -0.08 0.00 0.00 0.00 175.76 175.38 3icr s THR 375 N -1.25 0.58 0.26 0.00 -1.32 -1.26 -4.93 115.64 107.72 3icr s THR 375 Ca 0.50 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.94 3icr s THR 375 Cb -0.33 -0.57 -0.10 0.00 -1.51 0.00 0.00 72.50 69.98 3icr s THR 375 CO 0.43 -0.13 1.40 -2.84 -2.21 0.00 0.00 174.62 171.26 3icr s PRO 376 N -0.96 4.30 -0.19 7.08 0.02 -1.26 0.07 135.00 144.06 3icr s PRO 376 Ca -0.04 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 3icr s PRO 376 Cb -0.07 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 3icr s PRO 376 CO 0.00 -0.35 -0.12 0.08 -0.33 0.00 0.00 177.00 176.28 3icr s VAL 377 N -0.27 2.85 -0.27 3.83 1.01 0.67 -4.06 120.40 124.17 3icr s VAL 377 Ca 0.57 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3icr s VAL 377 Cb -0.41 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 3icr s VAL 377 CO 0.45 0.48 0.18 -0.22 0.00 0.00 0.00 175.10 176.00 3icr s LEU 378 N 1.17 4.05 -0.15 3.92 0.20 -0.06 -1.03 118.68 126.78 3icr s LEU 378 Ca 0.01 0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.87 3icr s LEU 378 Cb -0.14 -2.12 -0.01 0.00 -0.43 0.00 0.00 46.19 43.49 3icr s LEU 378 CO -0.04 -0.01 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.24 3icr s ILE 379 N 1.51 2.81 -0.20 6.68 1.01 0.47 -1.97 121.20 131.51 3icr s ILE 379 Ca 0.07 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 3icr s ILE 379 Cb -0.15 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3icr s ILE 379 CO 0.09 0.52 0.08 -0.75 0.00 0.00 0.00 174.94 174.87 3icr s LYS 380 N 0.66 3.99 -0.12 2.79 2.20 0.12 -0.73 119.74 128.65 3icr s LYS 380 Ca -0.07 -0.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 3icr s LYS 380 Cb -0.16 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 3icr s LYS 380 CO 0.02 0.22 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.87 3icr s LEU 381 N 0.54 1.94 -0.12 5.43 2.96 -0.55 -0.86 118.68 128.02 3icr s LEU 381 Ca 0.04 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3icr s LEU 381 Cb -0.13 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 3icr s LEU 381 CO 0.01 0.07 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.33 3icr s ILE 382 N 0.77 2.92 0.20 6.68 1.01 -0.24 -1.51 121.20 131.04 3icr s ILE 382 Ca -0.10 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.66 3icr s ILE 382 Cb -0.16 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.13 3icr s ILE 382 CO 0.01 0.53 0.55 0.72 0.00 0.00 0.00 174.94 176.75 3icr s PHE 383 N 0.27 -0.14 -0.13 3.97 -0.71 -0.53 -0.85 117.98 119.85 3icr s PHE 383 Ca -0.10 -0.20 -0.25 0.00 -1.04 0.00 0.00 56.93 55.33 3icr s PHE 383 Cb -0.16 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.06 3icr s PHE 383 CO 0.06 -0.94 0.81 1.21 -1.34 0.00 0.00 175.22 175.01 3icr s ASN 384 N -2.87 7.00 0.45 1.98 3.84 0.41 -0.63 114.94 125.12 3icr s ASN 384 Ca 0.09 1.22 0.11 0.00 0.21 0.00 0.00 52.86 54.49 3icr s ASN 384 Cb -0.01 -2.45 1.01 0.00 -0.55 0.00 0.00 41.25 39.24 3icr s ASN 384 CO -0.02 -0.31 2.09 0.50 -2.79 0.00 0.00 177.10 176.56 3icr h LYS 385 N 7.13 0.32 0.08 0.43 3.64 -1.90 0.76 116.57 127.03 3icr h LYS 385 Ca -0.34 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 58.70 3icr h LYS 385 Cb 1.16 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3icr h LYS 385 CO 0.81 0.23 -1.78 -0.25 -2.27 0.00 0.00 179.45 176.18 3icr n ASP 386 N -4.49 2.03 -0.02 4.20 8.00 -1.26 -4.50 116.55 120.51 3icr n ASP 386 Ca 0.01 0.28 0.02 0.00 0.71 0.00 0.00 54.79 55.80 3icr n ASP 386 Cb 0.08 -0.89 -0.14 0.00 -0.02 0.00 0.00 41.12 40.16 3icr n ASP 386 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3icr n SER 387 N -3.83 0.25 0.00 -2.24 3.41 -1.23 -4.98 113.62 105.01 3icr n SER 387 Ca -0.33 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3icr n SER 387 Cb 0.92 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 66.02 3icr n SER 387 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3icr n GLY 388 N 1.45 0.85 3.64 5.00 0.00 0.26 -4.86 105.19 111.52 3icr n GLY 388 Ca -0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.40 3icr n GLY 388 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3icr n LYS 389 N -2.11 1.72 -3.07 1.61 4.81 -1.26 -0.87 118.16 118.99 3icr n LYS 389 Ca 0.00 0.62 -0.41 0.00 -0.87 0.00 0.00 58.31 57.65 3icr n LYS 389 Cb 0.00 -2.30 -0.06 0.00 0.02 0.00 0.00 35.03 32.69 3icr n LYS 389 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3icr s ILE 390 N 0.51 4.96 -0.05 3.15 1.01 -1.26 -0.45 121.20 129.08 3icr s ILE 390 Ca 0.78 1.19 0.13 0.00 0.00 0.00 0.00 60.65 62.75 3icr s ILE 390 Cb -0.78 -3.97 -0.18 0.00 0.01 0.00 0.00 42.46 37.54 3icr s ILE 390 CO 0.44 -0.00 0.87 1.88 0.00 0.00 0.00 174.94 178.13 3icr h TYR 391 N 7.88 0.00 0.00 3.97 0.05 -1.34 -3.49 116.97 124.04 3icr h TYR 391 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 3icr h TYR 391 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 3icr h TYR 391 CO 0.76 0.85 0.00 0.41 -1.05 0.00 0.00 178.16 179.12 3icr n GLY 392 N 1.45 1.22 3.12 3.88 0.00 -1.11 -0.08 105.19 113.68 3icr n GLY 392 Ca -0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 3icr n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icr s ALA 393 N -2.00 -0.22 0.00 4.61 0.00 -0.78 -1.07 121.76 122.30 3icr s ALA 393 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.67 3icr s ALA 393 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3icr s ALA 393 CO 0.00 -0.27 -0.12 -0.65 0.00 0.00 0.00 175.76 174.72 3icr s GLN 394 N -2.04 0.90 -0.01 0.00 -0.21 -0.04 -1.71 119.66 116.55 3icr s GLN 394 Ca -0.10 -0.49 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 3icr s GLN 394 Cb -0.04 -0.87 0.00 0.00 1.00 0.00 0.00 33.01 33.10 3icr s GLN 394 CO -0.02 0.23 0.04 0.99 -2.12 0.00 0.00 175.29 174.42 3icr s THR 395 N -0.43 0.03 0.04 -0.19 2.01 -0.36 0.11 115.64 116.85 3icr s THR 395 Ca 0.03 -0.22 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 3icr s THR 395 Cb -0.05 -0.14 0.01 0.00 0.01 0.00 0.00 72.50 72.32 3icr s THR 395 CO -0.00 -0.12 0.23 -1.48 -0.69 0.00 0.00 174.62 172.55 3icr s LEU 396 N -0.36 1.22 0.00 4.42 0.05 -0.83 -0.58 118.68 122.60 3icr s LEU 396 Ca -0.04 -0.31 0.00 0.00 0.05 0.00 0.00 54.13 53.82 3icr s LEU 396 Cb -0.03 1.08 0.00 0.00 -2.05 0.00 0.00 46.19 45.19 3icr s LEU 396 CO -0.00 -0.57 0.00 0.61 -0.55 0.00 0.00 176.35 175.84 3icr n GLY 397 N 0.65 -0.21 0.14 -3.48 0.00 -1.04 -0.88 105.19 100.37 3icr n GLY 397 Ca -0.19 -1.24 0.12 0.00 0.00 0.00 0.00 46.02 44.71 3icr n GLY 397 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3icr h ARG 398 N 0.00 0.00 -1.95 1.61 3.08 -1.77 0.52 114.38 115.87 3icr h ARG 398 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3icr h ARG 398 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.85 3icr h ARG 398 CO 0.00 0.00 0.22 0.34 -1.07 0.00 0.00 179.97 179.46 3icr s ASP 399 N -5.46 -0.64 -0.09 7.04 2.15 -1.26 -4.69 116.67 113.72 3icr s ASP 399 Ca 0.03 0.74 0.00 0.00 0.43 0.00 0.00 52.55 53.74 3icr s ASP 399 Cb 0.09 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.29 3icr s ASP 399 CO 0.74 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 3icr n GLY 400 N 1.02 0.48 0.11 2.66 0.00 -1.26 -4.73 105.19 103.47 3icr n GLY 400 Ca -0.18 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 3icr n GLY 400 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3icr h VAL 401 N 0.00 1.11 -1.00 1.61 2.07 -1.93 -3.11 116.25 115.00 3icr h VAL 401 Ca -0.02 -2.33 0.08 0.00 0.82 0.00 0.00 66.70 65.25 3icr h VAL 401 Cb 0.09 2.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 3icr h VAL 401 CO 0.02 0.59 0.65 -2.24 0.02 0.00 0.00 177.57 176.61 3icr h ASP 402 N -0.60 1.02 -0.25 0.57 2.03 -1.95 -2.67 116.42 114.58 3icr h ASP 402 Ca -0.27 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.04 3icr h ASP 402 Cb 1.52 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 3icr h ASP 402 CO -0.02 0.63 0.12 0.50 -1.03 0.00 0.00 179.24 179.44 3icr h LYS 403 N 1.14 0.35 -1.39 4.15 3.64 -1.98 -1.26 116.57 121.23 3icr h LYS 403 Ca 0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3icr h LYS 403 Cb 0.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3icr h LYS 403 CO -0.19 0.34 0.00 0.54 -2.27 0.00 0.00 179.45 177.87 3icr n ARG 404 N -4.83 0.42 0.00 1.90 3.00 -1.01 -1.75 116.66 114.39 3icr n ARG 404 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 3icr n ARG 404 Cb 0.09 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.27 3icr n ARG 404 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3icr n ASP 406 N 0.71 0.00 -0.02 0.55 8.00 -0.48 -1.78 116.55 123.53 3icr n ASP 406 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3icr n ASP 406 Cb 0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 3icr n ASP 406 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3icr h VAL 407 N 0.00 1.05 -0.62 2.53 2.07 -1.60 -0.30 116.25 119.38 3icr h VAL 407 Ca 0.00 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 3icr h VAL 407 Cb 0.00 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3icr h VAL 407 CO 0.00 0.05 0.00 0.40 0.02 0.00 0.00 177.57 178.04 3icr h ILE 408 N 0.16 1.27 -0.74 4.57 2.04 -1.62 -0.36 117.51 122.82 3icr h ILE 408 Ca 0.05 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 3icr h ILE 408 Cb 0.01 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3icr h ILE 408 CO -0.01 0.42 0.37 0.00 0.00 0.00 0.00 178.15 178.93 3icr h ALA 409 N 0.99 0.96 -0.05 1.87 0.00 -1.80 -0.80 119.26 120.43 3icr h ALA 409 Ca 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3icr h ALA 409 Cb 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3icr h ALA 409 CO 0.03 0.51 0.03 1.15 0.00 0.00 0.00 179.25 180.97 3icr h THR 410 N 1.04 1.04 -0.44 0.00 2.02 -0.75 -2.27 112.91 113.55 3icr h THR 410 Ca 0.26 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.43 3icr h THR 410 Cb 0.09 1.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 3icr h THR 410 CO -0.04 0.03 0.02 0.00 0.37 0.00 0.00 175.52 175.90 3icr h ALA 411 N 0.99 0.42 0.05 6.16 0.00 -0.62 0.48 119.26 126.75 3icr h ALA 411 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3icr h ALA 411 Cb 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3icr h ALA 411 CO -0.00 -0.38 -0.06 0.82 0.00 0.00 0.00 179.25 179.63 3icr h ILE 412 N 0.13 0.85 0.00 0.00 2.04 -1.07 0.04 117.51 119.51 3icr h ILE 412 Ca 0.22 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.03 3icr h ILE 412 Cb 0.31 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3icr h ILE 412 CO -0.35 0.00 -0.23 0.11 0.00 0.00 0.00 178.15 177.68 3icr h LYS 413 N -0.13 0.00 0.00 2.37 1.57 -1.13 0.24 116.57 119.49 3icr h LYS 413 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3icr h LYS 413 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3icr h LYS 413 CO -0.03 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 3icr n ALA 414 N -2.40 2.59 -2.24 3.86 0.00 0.14 -4.89 120.51 117.57 3icr n ALA 414 Ca -0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 3icr n ALA 414 Cb 0.31 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 3icr n ALA 414 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3icr n ASN 415 N -0.80 -4.51 -4.84 0.00 5.03 0.07 -5.01 115.26 105.20 3icr n ASN 415 Ca 0.14 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.27 3icr n ASN 415 Cb 0.06 -3.64 -0.04 0.00 -1.02 0.00 0.00 39.78 35.14 3icr n ASN 415 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3icr s LEU 416 N -4.23 3.68 0.45 3.41 1.43 -0.06 -5.02 118.68 118.34 3icr s LEU 416 Ca 0.00 1.52 0.07 0.00 -1.03 0.00 0.00 54.13 54.70 3icr s LEU 416 Cb 0.00 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.77 3icr s LEU 416 CO 0.00 -0.54 0.38 0.42 0.23 0.00 0.00 176.35 176.84 3icr s THR 417 N -2.55 2.37 0.55 5.49 -4.23 -1.26 -4.42 115.64 111.59 3icr s THR 417 Ca 0.58 -1.40 0.26 0.00 -1.18 0.00 0.00 61.69 59.96 3icr s THR 417 Cb -0.10 -2.77 0.32 0.00 1.34 0.00 0.00 72.50 71.30 3icr s THR 417 CO 0.30 0.00 2.21 -0.37 -0.54 0.00 0.00 174.62 176.21 3icr h VAL 418 N 0.96 0.65 0.00 2.29 -1.51 -1.33 -0.80 116.25 116.51 3icr h VAL 418 Ca -0.40 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 3icr h VAL 418 Cb 1.27 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3icr h VAL 418 CO 0.58 0.02 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.84 3icr h LEU 419 N 0.00 0.00 0.00 4.19 3.38 -1.85 -2.85 115.31 118.18 3icr h LEU 419 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3icr h LEU 419 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3icr h LEU 419 CO 0.00 0.03 -1.23 0.44 0.09 0.00 0.00 178.44 177.77 3icr h ASP 420 N 0.00 0.00 -0.91 -0.43 3.32 -1.53 -3.40 116.42 113.47 3icr h ASP 420 Ca -0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 3icr h ASP 420 Cb 0.39 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3icr h ASP 420 CO 0.00 0.86 0.58 -0.07 -1.72 0.00 0.00 179.24 178.89 3icr h LEU 421 N 0.00 0.93 -2.93 1.55 3.38 -1.50 0.84 115.31 117.58 3icr h LEU 421 Ca -0.12 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3icr h LEU 421 Cb 1.76 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 3icr h LEU 421 CO 0.09 0.60 -0.00 -0.65 0.09 0.00 0.00 178.44 178.57 3icr h PRO 422 N 1.07 0.00 -0.45 1.13 0.11 -1.73 -2.83 132.00 129.30 3icr h PRO 422 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3icr h PRO 422 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3icr h PRO 422 CO -0.16 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.16 3icr n ASP 423 N -3.17 3.00 -4.61 -2.05 2.03 0.29 -4.87 116.55 107.17 3icr n ASP 423 Ca -0.03 -1.95 -0.43 0.00 0.52 0.00 0.00 54.79 52.90 3icr n ASP 423 Cb 0.07 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 3icr n ASP 423 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3icr s LEU 424 N -1.26 3.70 -0.75 -2.67 1.43 -1.07 -4.97 118.68 113.10 3icr s LEU 424 Ca 0.38 0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 53.97 3icr s LEU 424 Cb 0.21 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.92 3icr s LEU 424 CO 0.28 -1.22 1.26 -0.70 0.23 0.00 0.00 176.35 176.21 3icr s GLU 425 N 4.42 3.20 0.52 1.70 2.12 -1.26 -4.90 118.70 124.49 3icr s GLU 425 Ca 0.52 -0.32 0.08 0.00 0.36 0.00 0.00 54.97 55.61 3icr s GLU 425 Cb -0.11 -4.23 0.05 0.00 0.26 0.00 0.00 34.13 30.09 3icr s GLU 425 CO 0.28 -2.13 0.60 -0.51 -0.54 0.00 0.00 175.26 172.97 3icr s LEU 426 N 5.58 3.14 -0.36 2.70 1.43 -1.26 -5.05 118.68 124.86 3icr s LEU 426 Ca 0.35 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 52.31 3icr s LEU 426 Cb -0.08 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3icr s LEU 426 CO 0.14 -1.09 1.05 -0.44 0.23 0.00 0.00 176.35 176.24 3icr s SER 427 N -4.45 6.81 -0.24 2.29 0.01 -1.26 -5.01 113.70 111.86 3icr s SER 427 Ca 0.52 0.82 0.02 0.00 1.31 0.00 0.00 55.95 58.62 3icr s SER 427 Cb -0.05 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.70 3icr s SER 427 CO 0.32 -0.95 -0.13 -0.47 0.41 0.00 0.00 173.24 172.42 3icr s TYR 428 N 3.77 3.11 0.10 2.43 6.04 -1.26 -4.42 117.35 127.13 3icr s TYR 428 Ca 0.44 -2.08 -0.03 0.00 0.04 0.00 0.00 57.07 55.44 3icr s TYR 428 Cb -0.11 -1.94 -0.03 0.00 -1.04 0.00 0.00 41.96 38.84 3icr s TYR 428 CO 0.19 -0.85 0.08 0.00 -1.54 0.00 0.00 175.55 173.44 3icr s ALA 429 N 1.17 0.46 0.35 3.97 0.00 -1.26 -5.01 121.76 121.43 3icr s ALA 429 Ca -0.04 -1.17 0.12 0.00 0.00 0.00 0.00 51.96 50.86 3icr s ALA 429 Cb -0.18 0.62 0.91 0.00 0.00 0.00 0.00 23.12 24.48 3icr s ALA 429 CO -0.07 -0.48 1.78 -1.35 0.00 0.00 0.00 175.76 175.64 3icr h PRO 430 N 2.89 0.57 0.00 0.00 0.11 -1.98 -0.60 132.00 132.99 3icr h PRO 430 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3icr h PRO 430 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3icr h PRO 430 CO 0.59 0.38 0.00 -1.35 -0.21 0.00 0.00 178.00 177.41 3icr h PRO 431 N 0.59 0.00 0.00 1.05 0.11 -1.96 -3.28 132.00 128.50 3icr h PRO 431 Ca 0.57 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.52 3icr h PRO 431 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3icr h PRO 431 CO -0.34 0.00 -1.62 0.66 -0.21 0.00 0.00 178.00 176.49 3icr n TYR 432 N -2.44 0.00 -2.77 0.65 4.01 -0.25 -4.83 117.16 111.53 3icr n TYR 432 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3icr n TYR 432 Cb 0.24 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 3icr n TYR 432 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3icr n SER 433 N -2.44 0.00 -4.50 7.72 2.88 -1.11 -4.59 113.62 111.57 3icr n SER 433 Ca -0.16 -0.45 -0.25 0.00 -1.33 0.00 0.00 58.87 56.68 3icr n SER 433 Cb 0.78 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.13 3icr n SER 433 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3icr s SER 434 N 0.65 3.00 0.53 -3.46 0.01 -1.26 -0.95 113.70 112.21 3icr s SER 434 Ca 0.00 -1.41 0.25 0.00 1.31 0.00 0.00 55.95 56.10 3icr s SER 434 Cb 0.00 -0.12 1.39 0.00 0.21 0.00 0.00 66.02 67.50 3icr s SER 434 CO 0.00 -0.59 2.01 0.00 0.41 0.00 0.00 173.24 175.07 3icr h ALA 435 N 1.93 2.45 -3.49 1.44 0.00 -1.97 -3.13 119.26 116.50 3icr h ALA 435 Ca -0.42 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.81 3icr h ALA 435 Cb 1.25 0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.72 3icr h ALA 435 CO 0.73 -0.60 -0.82 0.15 0.00 0.00 0.00 179.25 178.71 3icr s LYS 436 N -5.01 2.60 0.73 0.00 1.02 -1.26 -5.04 119.74 112.78 3icr s LYS 436 Ca -0.05 -1.10 -0.15 0.00 0.02 0.00 0.00 55.97 54.69 3icr s LYS 436 Cb 0.19 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3icr s LYS 436 CO 0.72 -0.40 1.22 0.34 -0.92 0.00 0.00 175.35 176.30 3icr s ASP 437 N 1.19 4.16 0.38 2.83 2.15 -1.19 -4.88 116.67 121.32 3icr s ASP 437 Ca -0.02 2.38 0.20 0.00 0.43 0.00 0.00 52.55 55.54 3icr s ASP 437 Cb -0.17 -2.59 1.18 0.00 -0.30 0.00 0.00 42.92 41.04 3icr s ASP 437 CO -0.09 -2.29 1.69 -0.65 -0.17 0.00 0.00 175.17 173.66 3icr h PRO 438 N -0.29 0.28 -0.21 4.34 0.11 -1.91 -0.99 132.00 133.33 3icr h PRO 438 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3icr h PRO 438 Cb 1.30 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3icr h PRO 438 CO 0.50 0.19 0.13 0.28 -0.21 0.00 0.00 178.00 178.88 3icr h VAL 439 N 0.29 1.07 0.00 3.15 2.07 -1.93 -0.97 116.25 119.93 3icr h VAL 439 Ca 0.71 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 68.07 3icr h VAL 439 Cb 1.86 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3icr h VAL 439 CO -0.45 0.07 0.00 0.59 0.02 0.00 0.00 177.57 177.80 3icr n ASN 440 N -4.92 0.00 0.00 0.57 5.03 -0.38 -1.57 115.26 113.99 3icr n ASN 440 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 3icr n ASN 440 Cb 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 3icr n ASN 440 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3icr n VAL 442 N 0.39 0.00 -0.20 2.41 3.14 -0.37 -0.10 118.33 123.59 3icr n VAL 442 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 3icr n VAL 442 Cb 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.85 3icr n VAL 442 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3icr h GLY 443 N 0.00 0.85 0.97 7.55 0.00 -1.54 -1.39 103.07 109.51 3icr h GLY 443 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3icr h GLY 443 CO 0.00 0.18 0.18 -0.97 0.00 0.00 0.00 176.54 175.93 3icr h TYR 444 N 0.66 0.79 -0.51 5.60 0.05 -0.78 -0.38 116.97 122.39 3icr h TYR 444 Ca 0.25 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 3icr h TYR 444 Cb 0.09 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3icr h TYR 444 CO -0.07 0.67 0.21 0.00 -1.05 0.00 0.00 178.16 177.92 3icr h ALA 445 N 1.03 0.66 -0.46 3.88 0.00 -1.78 -1.29 119.26 121.30 3icr h ALA 445 Ca 0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3icr h ALA 445 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3icr h ALA 445 CO -0.01 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 179.34 3icr h ALA 446 N 1.06 0.84 -0.36 0.00 0.00 -1.18 -2.95 119.26 116.66 3icr h ALA 446 Ca 0.17 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3icr h ALA 446 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3icr h ALA 446 CO -0.02 0.65 0.01 0.77 0.00 0.00 0.00 179.25 180.66 3icr h SER 447 N 0.78 0.53 0.12 0.00 0.02 -0.80 -1.43 113.55 112.77 3icr h SER 447 Ca 0.12 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3icr h SER 447 Cb 0.70 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3icr h SER 447 CO 0.05 0.60 -0.20 0.78 -1.14 0.00 0.00 176.83 176.93 3icr h ASN 448 N 0.54 0.15 0.06 3.07 2.35 -1.07 0.31 115.58 120.99 3icr h ASN 448 Ca 0.12 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3icr h ASN 448 Cb 0.34 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3icr h ASN 448 CO 0.01 0.36 -0.03 0.40 -1.65 0.00 0.00 177.43 176.52 3icr h ILE 449 N 0.14 1.25 -0.65 2.81 2.04 -1.37 0.25 117.51 121.98 3icr h ILE 449 Ca 0.03 -1.44 0.11 0.00 1.00 0.00 0.00 64.86 64.56 3icr h ILE 449 Cb 0.43 2.13 -0.08 0.00 -0.74 0.00 0.00 36.82 38.56 3icr h ILE 449 CO 0.03 0.34 0.23 0.58 0.00 0.00 0.00 178.15 179.33 3icr h VAL 450 N -0.77 0.71 0.00 1.67 2.07 -1.07 -1.70 116.25 117.16 3icr h VAL 450 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3icr h VAL 450 Cb 0.62 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3icr h VAL 450 CO 0.01 0.07 0.00 0.47 0.02 0.00 0.00 177.57 178.15 3icr n ASP 451 N -5.02 0.00 -0.22 0.57 8.00 0.11 -4.92 116.55 115.07 3icr n ASP 451 Ca 0.10 0.35 -0.02 0.00 0.71 0.00 0.00 54.79 55.93 3icr n ASP 451 Cb 0.33 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 3icr n ASP 451 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3icr n GLY 452 N 1.28 0.49 0.16 0.44 0.00 -0.64 -4.93 105.19 101.99 3icr n GLY 452 Ca 0.08 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.31 3icr n GLY 452 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3icr h PHE 453 N 0.00 0.00 -2.88 1.61 0.04 -0.77 -3.46 116.94 111.49 3icr h PHE 453 Ca -0.05 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 3icr h PHE 453 Cb 0.39 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 38.32 3icr h PHE 453 CO 0.07 0.00 -0.25 0.54 -0.60 0.00 0.00 178.31 178.07 3icr s VAL 454 N -3.17 0.03 0.05 -0.55 0.11 -1.02 -4.73 120.40 111.12 3icr s VAL 454 Ca 0.09 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 3icr s VAL 454 Cb 0.09 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3icr s VAL 454 CO 0.62 -0.12 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.47 3icr s ASP 455 N -0.54 3.75 0.09 3.54 2.15 -1.26 -4.36 116.67 120.04 3icr s ASP 455 Ca -0.06 -0.46 0.01 0.00 0.43 0.00 0.00 52.55 52.46 3icr s ASP 455 Cb -0.04 -0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 41.97 3icr s ASP 455 CO 0.03 0.24 -0.06 0.42 -0.17 0.00 0.00 175.17 175.63 3icr s THR 456 N -0.95 0.60 0.16 1.71 -4.23 -1.26 -1.33 115.64 110.35 3icr s THR 456 Ca 0.15 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.83 3icr s THR 456 Cb -0.10 -1.61 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 3icr s THR 456 CO 0.06 -0.88 -0.09 0.68 -0.54 0.00 0.00 174.62 173.84 3icr s VAL 457 N -3.59 1.20 0.34 2.29 -7.23 -0.39 -4.88 120.40 108.13 3icr s VAL 457 Ca 0.10 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 3icr s VAL 457 Cb 0.05 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 3icr s VAL 457 CO -0.06 -0.69 0.51 -1.10 -0.31 0.00 0.00 175.10 173.46 3icr s GLN 458 N -3.75 3.36 0.44 4.82 -1.52 -1.26 -1.09 119.66 120.66 3icr s GLN 458 Ca 0.18 -0.55 0.25 0.00 -1.95 0.00 0.00 55.36 53.29 3icr s GLN 458 Cb 0.03 -2.72 1.26 0.00 -0.22 0.00 0.00 33.01 31.35 3icr s GLN 458 CO 0.02 0.14 1.76 0.11 -0.25 0.00 0.00 175.29 177.07 3icr h TRP 459 N 0.82 0.47 -0.01 0.91 5.08 -1.96 -1.43 115.95 119.83 3icr h TRP 459 Ca -0.49 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3icr h TRP 459 Cb 1.23 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 3icr h TRP 459 CO 0.47 0.02 -0.11 -2.39 -1.28 0.00 0.00 178.44 175.15 3icr n HIS 460 N -4.51 0.00 -0.06 0.12 1.44 -1.26 -3.88 115.22 107.06 3icr n HIS 460 Ca 0.27 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.93 3icr n HIS 460 Cb 1.03 -0.09 -0.11 0.00 0.12 0.00 0.00 29.99 30.94 3icr n HIS 460 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3icr n GLU 461 N -0.51 1.54 -0.27 -1.40 1.02 -0.56 -4.78 120.64 115.69 3icr n GLU 461 Ca 0.16 -0.03 -0.05 0.00 -0.02 0.00 0.00 57.16 57.23 3icr n GLU 461 Cb 0.31 -1.36 0.06 0.00 -0.02 0.00 0.00 31.44 30.43 3icr n GLU 461 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3icr h ILE 462 N 0.00 1.20 -0.29 -3.67 6.09 -1.61 -2.31 117.51 116.92 3icr h ILE 462 Ca -0.33 -0.43 -0.01 0.00 -1.37 0.00 0.00 64.86 62.72 3icr h ILE 462 Cb 1.70 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.14 3icr h ILE 462 CO 0.02 0.21 0.13 0.44 -3.07 0.00 0.00 178.15 175.87 3icr h ASP 463 N 1.00 0.39 -0.74 2.19 3.32 -1.86 -0.79 116.42 119.93 3icr h ASP 463 Ca 0.27 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.18 3icr h ASP 463 Cb -0.06 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3icr h ASP 463 CO -0.05 0.43 0.49 -0.09 -1.72 0.00 0.00 179.24 178.30 3icr h ARG 464 N 0.33 0.98 -0.52 3.56 2.43 -1.85 -0.44 114.38 118.86 3icr h ARG 464 Ca 0.10 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3icr h ARG 464 Cb 0.15 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3icr h ARG 464 CO -0.01 0.65 0.25 0.82 -1.51 0.00 0.00 179.97 180.17 3icr h ILE 465 N 1.01 0.93 -0.51 1.20 2.04 -1.15 -0.77 117.51 120.25 3icr h ILE 465 Ca 0.27 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 3icr h ILE 465 Cb -0.12 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3icr h ILE 465 CO -0.06 0.09 -0.17 0.58 0.00 0.00 0.00 178.15 178.59 3icr h VAL 466 N 0.49 1.27 -0.78 1.67 2.07 -0.69 0.69 116.25 120.97 3icr h VAL 466 Ca 0.24 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.49 3icr h VAL 466 Cb 0.17 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3icr h VAL 466 CO -0.18 0.47 0.51 -0.33 0.02 0.00 0.00 177.57 178.06 3icr h GLU 467 N 0.89 0.82 -0.11 1.57 5.08 -0.83 -2.44 114.58 119.56 3icr h GLU 467 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3icr h GLU 467 Cb 0.74 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3icr h GLU 467 CO 0.06 0.54 0.00 0.09 -1.00 0.00 0.00 179.01 178.70 3icr n ASN 468 N -4.48 0.92 0.00 1.42 3.02 -0.32 -4.87 115.26 110.95 3icr n ASN 468 Ca 0.11 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 3icr n ASN 468 Cb 0.21 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3icr n ASN 468 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3icr n GLY 469 N 0.93 1.11 3.77 7.41 0.00 -0.92 -5.05 105.19 112.44 3icr n GLY 469 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3icr n GLY 469 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3icr s GLY 470 N -1.83 2.97 -0.47 -0.02 0.00 0.20 -4.73 107.32 103.43 3icr s GLY 470 Ca 0.00 1.32 -0.14 0.00 0.00 0.00 0.00 44.72 45.90 3icr s GLY 470 CO 0.00 1.95 0.38 -0.47 0.00 0.00 0.00 173.10 174.96 3icr s TYR 471 N -1.17 3.28 -0.27 1.90 5.04 -0.76 -4.56 117.35 120.81 3icr s TYR 471 Ca 0.52 -1.22 -0.17 0.00 -2.44 0.00 0.00 57.07 53.76 3icr s TYR 471 Cb -0.41 -3.26 -0.03 0.00 0.35 0.00 0.00 41.96 38.62 3icr s TYR 471 CO 0.54 -0.87 0.49 -1.17 -1.34 0.00 0.00 175.55 173.20 3icr s LEU 472 N 1.56 4.09 -0.24 6.97 2.96 -1.26 -0.55 118.68 132.21 3icr s LEU 472 Ca 0.04 0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 54.29 3icr s LEU 472 Cb -0.25 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 3icr s LEU 472 CO 0.04 -0.30 0.03 -0.63 -1.32 0.00 0.00 176.35 174.17 3icr s ILE 473 N 2.29 3.96 -0.45 6.68 1.01 0.11 -0.70 121.20 134.10 3icr s ILE 473 Ca 0.20 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 3icr s ILE 473 Cb -0.16 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.51 3icr s ILE 473 CO 0.10 0.37 0.73 -0.62 0.00 0.00 0.00 174.94 175.52 3icr s ASP 474 N 1.56 6.36 -0.06 3.58 3.68 0.14 -1.37 116.67 130.57 3icr s ASP 474 Ca 0.06 -0.25 0.09 0.00 2.13 0.00 0.00 52.55 54.58 3icr s ASP 474 Cb -0.15 -2.36 0.38 0.00 -1.45 0.00 0.00 42.92 39.34 3icr s ASP 474 CO 0.01 -0.87 1.21 1.33 0.13 0.00 0.00 175.17 176.98 3icr n VAL 475 N 6.00 0.94 -1.45 1.11 0.24 0.28 -1.95 118.33 123.51 3icr n VAL 475 Ca 0.00 -0.61 -0.29 0.00 -2.04 0.00 0.00 64.34 61.40 3icr n VAL 475 Cb 0.48 -0.05 0.12 0.00 -1.47 0.00 0.00 33.84 32.92 3icr n VAL 475 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3icr s ARG 476 N -1.69 1.44 0.43 7.34 0.52 -1.26 -0.70 118.95 125.02 3icr s ARG 476 Ca 0.27 0.53 -0.23 0.00 -0.52 0.00 0.00 55.73 55.78 3icr s ARG 476 Cb 0.17 -1.85 -0.09 0.00 0.52 0.00 0.00 34.95 33.70 3icr s ARG 476 CO 0.13 -2.05 1.07 -1.21 0.02 0.00 0.00 175.30 173.26 3icr s GLU 477 N -5.14 4.03 0.56 3.54 0.41 -1.26 -3.77 118.70 117.06 3icr s GLU 477 Ca 0.63 1.53 0.28 0.00 -0.41 0.00 0.00 54.97 57.00 3icr s GLU 477 Cb -0.16 -2.44 1.47 0.00 -1.78 0.00 0.00 34.13 31.23 3icr s GLU 477 CO 0.55 -0.27 1.96 -1.35 -0.49 0.00 0.00 175.26 175.66 3icr h PRO 478 N 2.25 0.00 0.00 0.39 0.11 -1.97 -0.63 132.00 132.15 3icr h PRO 478 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3icr h PRO 478 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3icr h PRO 478 CO 0.61 0.00 -0.51 -0.91 -0.21 0.00 0.00 178.00 176.99 3icr h ASN 479 N 0.00 0.00 0.90 -2.05 4.21 -2.05 -2.92 115.58 113.67 3icr h ASN 479 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 3icr h ASN 479 Cb 1.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 3icr h ASN 479 CO -0.00 0.51 0.00 -0.33 -1.29 0.00 0.00 177.43 176.31 3icr h GLU 480 N 0.00 0.00 0.00 0.81 5.08 -1.49 -2.99 114.58 116.00 3icr h GLU 480 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3icr h GLU 480 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3icr h GLU 480 CO 0.07 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 178.01 3icr h LEU 481 N 0.00 0.00 -1.39 1.33 4.07 -1.62 -2.55 115.31 115.15 3icr h LEU 481 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 3icr h LEU 481 Cb 0.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3icr h LEU 481 CO 0.00 0.00 -0.22 0.11 -1.08 0.00 0.00 178.44 177.25 3icr h LYS 482 N 0.00 0.13 0.00 1.13 1.57 -1.72 -0.53 116.57 117.15 3icr h LYS 482 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3icr h LYS 482 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3icr h LYS 482 CO 0.00 0.35 0.02 1.96 -0.57 0.00 0.00 179.45 181.21 3icr h GLN 483 N 0.12 0.00 0.00 3.15 4.20 -1.68 -3.50 115.11 117.40 3icr h GLN 483 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3icr h GLN 483 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3icr h GLN 483 CO 0.03 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.60 3icr n GLY 484 N -1.23 -0.08 3.78 3.46 0.00 -0.21 -5.05 105.19 105.86 3icr n GLY 484 Ca -0.02 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 3icr n GLY 484 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3icr s ILE 486 N 0.00 5.11 0.29 -0.61 1.01 -1.26 -4.60 121.20 121.14 3icr s ILE 486 Ca 0.00 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.22 3icr s ILE 486 Cb 0.00 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.59 3icr s ILE 486 CO 0.00 0.45 1.23 1.17 0.00 0.00 0.00 174.94 177.80 3icr n LYS 487 N 2.77 1.83 -0.65 2.79 4.81 -1.26 -2.50 118.16 125.94 3icr n LYS 487 Ca -0.11 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 3icr n LYS 487 Cb 0.52 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.39 3icr n LYS 487 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3icr n GLY 488 N 1.31 0.82 3.77 3.14 0.00 -1.26 -5.00 105.19 107.97 3icr n GLY 488 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3icr n GLY 488 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3icr s SER 489 N -2.96 6.01 -0.05 1.61 0.01 -1.04 -4.46 113.70 112.82 3icr s SER 489 Ca 0.00 2.39 0.04 0.00 1.31 0.00 0.00 55.95 59.70 3icr s SER 489 Cb 0.00 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 3icr s SER 489 CO 0.00 -1.03 -0.19 -0.63 0.41 0.00 0.00 173.24 171.80 3icr s ILE 490 N -1.50 1.58 -0.36 1.44 1.09 0.12 -4.93 121.20 118.64 3icr s ILE 490 Ca 0.65 -0.79 -0.16 0.00 -1.10 0.00 0.00 60.65 59.25 3icr s ILE 490 Cb -0.31 -1.36 -0.00 0.00 -1.06 0.00 0.00 42.46 39.73 3icr s ILE 490 CO 0.37 0.45 0.42 0.21 -0.10 0.00 0.00 174.94 176.29 3icr s ASN 491 N 0.11 6.22 -0.30 3.58 3.04 -1.26 0.26 114.94 126.59 3icr s ASN 491 Ca -0.07 -0.27 -0.00 0.00 0.04 0.00 0.00 52.86 52.56 3icr s ASN 491 Cb -0.13 -2.22 0.09 0.00 -1.54 0.00 0.00 41.25 37.45 3icr s ASN 491 CO 0.03 -0.42 0.07 -0.63 -3.04 0.00 0.00 177.10 173.11 3icr s ILE 492 N 2.14 1.06 0.27 -5.21 1.01 -0.82 -4.95 121.20 114.70 3icr s ILE 492 Ca 0.14 -1.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.06 3icr s ILE 492 Cb -0.16 -1.74 -0.13 0.00 0.01 0.00 0.00 42.46 40.43 3icr s ILE 492 CO 0.12 -0.58 1.32 -2.65 0.00 0.00 0.00 174.94 173.16 3icr n PRO 493 N 4.78 1.97 -0.31 2.79 -0.02 -1.25 -4.06 135.00 138.89 3icr n PRO 493 Ca -0.03 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3icr n PRO 493 Cb 0.43 -2.30 0.28 0.00 -0.02 0.00 0.00 33.50 31.89 3icr n PRO 493 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3icr h LEU 494 N 3.44 -0.29 -0.15 2.45 6.46 -1.15 0.03 115.31 126.11 3icr h LEU 494 Ca -0.45 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3icr h LEU 494 Cb 1.29 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 3icr h LEU 494 CO 0.70 -0.27 0.00 0.47 -0.62 0.00 0.00 178.44 178.72 3icr n ASP 495 N -5.38 0.24 -0.01 1.25 8.00 -1.26 -2.34 116.55 117.04 3icr n ASP 495 Ca 0.22 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.36 3icr n ASP 495 Cb 0.71 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 41.07 3icr n ASP 495 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3icr n GLU 496 N -1.74 0.60 -0.25 -1.24 1.02 -0.06 -4.68 120.64 114.29 3icr n GLU 496 Ca 0.04 -0.16 0.02 0.00 -0.02 0.00 0.00 57.16 57.04 3icr n GLU 496 Cb 0.26 -1.45 0.15 0.00 -0.02 0.00 0.00 31.44 30.37 3icr n GLU 496 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3icr h LEU 497 N 0.00 0.46 -1.99 -4.62 5.85 -1.01 0.12 115.31 114.12 3icr h LEU 497 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3icr h LEU 497 Cb 0.85 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 3icr h LEU 497 CO 0.00 0.25 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.22 3icr h ARG 498 N 0.59 0.00 -0.00 1.25 2.43 -1.84 -1.20 114.38 115.61 3icr h ARG 498 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3icr h ARG 498 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3icr h ARG 498 CO -0.29 0.04 -0.34 -0.25 -1.51 0.00 0.00 179.97 177.62 3icr n ASP 499 N -4.39 0.60 -0.60 -3.80 8.00 0.37 -4.18 116.55 112.55 3icr n ASP 499 Ca -0.03 -0.41 0.06 0.00 0.71 0.00 0.00 54.79 55.13 3icr n ASP 499 Cb 0.12 0.12 0.15 0.00 -0.02 0.00 0.00 41.12 41.49 3icr n ASP 499 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3icr n ARG 500 N -1.20 1.14 0.27 -1.24 1.74 -0.50 -4.80 116.66 112.08 3icr n ARG 500 Ca 0.09 -2.75 0.17 0.00 -0.77 0.00 0.00 57.85 54.58 3icr n ARG 500 Cb 0.33 -1.25 0.92 0.00 -1.02 0.00 0.00 32.46 31.44 3icr n ARG 500 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3icr h LEU 501 N 0.68 0.00 -2.24 0.55 3.38 -1.61 -0.67 115.31 115.39 3icr h LEU 501 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3icr h LEU 501 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3icr h LEU 501 CO 0.02 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.47 3icr h GLU 502 N 0.00 0.00 0.00 1.13 4.81 -1.89 -1.46 114.58 117.17 3icr h GLU 502 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3icr h GLU 502 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3icr h GLU 502 CO -0.00 0.00 -0.39 0.39 -0.73 0.00 0.00 179.01 178.28 3icr n GLU 503 N -2.96 0.20 -2.93 1.92 1.02 -0.26 -4.76 120.64 112.87 3icr n GLU 503 Ca -0.01 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 3icr n GLU 503 Cb 0.15 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 3icr n GLU 503 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3icr s VAL 504 N -3.10 4.72 0.34 2.62 1.01 -0.55 -5.03 120.40 120.41 3icr s VAL 504 Ca 0.09 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 3icr s VAL 504 Cb 0.15 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 3icr s VAL 504 CO 0.67 -0.41 1.49 -2.16 0.00 0.00 0.00 175.10 174.68 3icr s PRO 505 N 3.13 4.15 0.00 2.72 0.04 -1.26 -4.91 135.00 138.87 3icr s PRO 505 Ca 0.33 2.51 0.24 0.00 0.04 0.00 0.00 61.00 64.12 3icr s PRO 505 Cb -0.13 -3.01 0.46 0.00 0.04 0.00 0.00 34.50 31.87 3icr s PRO 505 CO 0.16 -0.51 1.41 0.28 0.04 0.00 0.00 177.00 178.39 3icr n VAL 506 N 1.08 0.13 -0.48 -0.36 0.31 -1.26 -4.17 118.33 113.58 3icr n VAL 506 Ca 0.03 -0.49 0.06 0.00 -0.01 0.00 0.00 64.34 63.94 3icr n VAL 506 Cb 0.39 1.08 0.18 0.00 -0.91 0.00 0.00 33.84 34.58 3icr n VAL 506 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3icr n ASP 507 N 1.05 3.17 -4.09 4.52 5.75 -1.26 -5.00 116.55 120.68 3icr n ASP 507 Ca 0.16 -2.39 -0.16 0.00 -0.01 0.00 0.00 54.79 52.40 3icr n ASP 507 Cb 0.53 -0.33 -0.12 0.00 -1.03 0.00 0.00 41.12 40.17 3icr n ASP 507 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3icr s LYS 508 N -1.70 0.65 -0.07 0.11 1.02 -1.26 -5.12 119.74 113.37 3icr s LYS 508 Ca 0.28 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 3icr s LYS 508 Cb 0.19 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 3icr s LYS 508 CO 0.12 0.11 1.36 -0.51 -0.92 0.00 0.00 175.35 175.51 3icr s ASP 509 N -1.44 6.89 -0.01 2.83 1.11 -1.26 -4.87 116.67 119.93 3icr s ASP 509 Ca -0.05 1.94 -0.18 0.00 0.18 0.00 0.00 52.55 54.44 3icr s ASP 509 Cb -0.09 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.30 3icr s ASP 509 CO 0.01 -0.74 0.51 -0.63 1.18 0.00 0.00 175.17 175.50 3icr s ILE 510 N 2.95 4.97 -0.03 0.77 -1.09 -0.97 -1.83 121.20 125.97 3icr s ILE 510 Ca 0.61 1.05 0.05 0.00 -2.23 0.00 0.00 60.65 60.13 3icr s ILE 510 Cb -0.27 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 3icr s ILE 510 CO 0.22 0.47 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.93 3icr s TYR 511 N -0.47 1.61 -0.08 3.97 1.51 0.29 -1.53 117.35 122.65 3icr s TYR 511 Ca 0.27 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 3icr s TYR 511 Cb -0.17 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 3icr s TYR 511 CO 0.15 -0.11 -0.23 0.42 -1.11 0.00 0.00 175.55 174.67 3icr s ILE 512 N -0.13 2.16 0.03 2.71 -1.09 0.38 0.09 121.20 125.36 3icr s ILE 512 Ca 0.00 -1.00 0.05 0.00 -2.23 0.00 0.00 60.65 57.47 3icr s ILE 512 Cb -0.09 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 3icr s ILE 512 CO 0.01 0.56 -0.16 0.28 -1.23 0.00 0.00 174.94 174.41 3icr s THR 513 N 0.09 1.25 0.00 2.92 -1.32 -0.47 0.54 115.64 118.64 3icr s THR 513 Ca -0.11 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 3icr s THR 513 Cb -0.16 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 3icr s THR 513 CO 0.06 0.10 0.00 0.00 -2.21 0.00 0.00 174.62 172.57 3icr h GLN 515 N 0.00 0.00 0.00 0.00 5.75 -1.92 0.21 115.11 119.15 3icr h GLN 515 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3icr h GLN 515 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3icr h GLN 515 CO 0.00 0.31 -0.92 1.28 -2.65 0.00 0.00 178.83 176.86 3icr n LEU 516 N -4.56 0.79 0.00 -2.39 4.77 -1.26 -0.89 117.00 113.46 3icr n LEU 516 Ca -0.15 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3icr n LEU 516 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3icr n LEU 516 CO 0.13 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3icr n GLY 517 N 1.43 1.45 0.00 -0.72 0.00 -1.26 -4.10 105.19 101.98 3icr n GLY 517 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3icr n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icr n ARG 519 N -0.32 0.00 -0.09 1.61 1.74 -1.26 -0.57 116.66 117.77 3icr n ARG 519 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3icr n ARG 519 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3icr n ARG 519 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3icr h GLY 520 N 0.00 0.43 0.63 -0.13 0.00 -1.93 -1.56 103.07 100.51 3icr h GLY 520 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.21 3icr h GLY 520 CO 0.00 0.17 0.21 -1.82 0.00 0.00 0.00 176.54 175.09 3icr h TYR 521 N 0.38 0.37 -0.47 5.60 3.20 -1.21 0.99 116.97 125.82 3icr h TYR 521 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3icr h TYR 521 Cb -0.00 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3icr h TYR 521 CO -0.05 0.15 0.27 0.28 -1.64 0.00 0.00 178.16 177.17 3icr h VAL 522 N 0.41 1.02 -0.77 1.81 2.07 -1.78 -0.51 116.25 118.50 3icr h VAL 522 Ca 0.22 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3icr h VAL 522 Cb 0.19 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3icr h VAL 522 CO -0.20 0.10 0.45 0.00 0.02 0.00 0.00 177.57 177.94 3icr h ALA 523 N 1.22 0.98 -0.25 1.67 0.00 -1.01 -2.96 119.26 118.92 3icr h ALA 523 Ca 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3icr h ALA 523 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3icr h ALA 523 CO -0.11 0.47 0.15 0.00 0.00 0.00 0.00 179.25 179.76 3icr h ALA 524 N 1.23 0.31 0.00 0.00 0.00 -0.14 -1.61 119.26 119.05 3icr h ALA 524 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3icr h ALA 524 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3icr h ALA 524 CO -0.05 -0.24 0.00 0.54 0.00 0.00 0.00 179.25 179.50 3icr n ARG 525 N -4.94 0.00 -0.39 0.00 5.12 -0.26 -4.56 116.66 111.63 3icr n ARG 525 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3icr n ARG 525 Cb 0.04 -0.88 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 3icr n ARG 525 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3icr n LEU 527 N 0.34 0.00 0.00 0.55 4.77 -0.61 -4.65 117.00 117.40 3icr n LEU 527 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3icr n LEU 527 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3icr n LEU 527 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3icr n GLU 529 N 0.00 0.00 0.00 3.23 -0.58 -1.26 -0.80 120.64 121.23 3icr n GLU 529 Ca 0.00 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 3icr n GLU 529 Cb 0.00 0.00 0.60 0.00 -0.57 0.00 0.00 31.44 31.47 3icr n GLU 529 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3icr n LYS 530 N 0.00 0.94 -1.05 3.49 4.76 -1.26 -4.89 118.16 120.15 3icr n LYS 530 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3icr n LYS 530 Cb 0.00 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3icr n LYS 530 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3icr n GLY 531 N 0.74 0.53 3.86 0.72 0.00 -0.92 -5.07 105.19 105.04 3icr n GLY 531 Ca 0.15 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 3icr n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3icr s TYR 532 N -2.00 3.51 -0.22 1.61 1.51 0.02 -5.07 117.35 116.71 3icr s TYR 532 Ca 0.00 1.01 -0.24 0.00 -1.01 0.00 0.00 57.07 56.84 3icr s TYR 532 Cb 0.00 -2.35 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3icr s TYR 532 CO 0.00 0.32 0.77 0.21 -1.11 0.00 0.00 175.55 175.74 3icr s LYS 533 N -2.43 4.21 -0.02 -0.62 2.20 -1.26 -4.81 119.74 117.00 3icr s LYS 533 Ca 0.44 0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 56.82 3icr s LYS 533 Cb -0.13 -3.62 0.01 0.00 -1.51 0.00 0.00 37.83 32.59 3icr s LYS 533 CO 0.20 -0.41 0.18 0.54 -0.36 0.00 0.00 175.35 175.51 3icr s VAL 534 N 2.45 0.06 0.00 4.02 0.11 -1.26 -2.29 120.40 123.50 3icr s VAL 534 Ca 0.34 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 3icr s VAL 534 Cb -0.16 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3icr s VAL 534 CO 0.09 -0.27 -0.09 -0.54 -3.33 0.00 0.00 175.10 170.97 3icr s LYS 535 N -1.01 0.68 0.04 1.54 1.02 -0.58 -4.45 119.74 116.97 3icr s LYS 535 Ca -0.11 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.33 3icr s LYS 535 Cb -0.06 -0.64 -0.06 0.00 -0.52 0.00 0.00 37.83 36.56 3icr s LYS 535 CO 0.02 0.17 0.46 1.21 -0.92 0.00 0.00 175.35 176.29 3icr s ASN 536 N -0.45 6.86 -0.52 2.83 2.47 -0.44 -0.47 114.94 125.22 3icr s ASN 536 Ca 0.02 1.04 -0.27 0.00 0.42 0.00 0.00 52.86 54.06 3icr s ASN 536 Cb -0.04 -2.27 0.03 0.00 -1.45 0.00 0.00 41.25 37.51 3icr s ASN 536 CO -0.00 0.27 1.09 -0.69 -3.72 0.00 0.00 177.10 174.05 3icr s VAL 537 N -1.16 4.22 0.04 -5.21 1.01 0.19 -1.26 120.40 118.22 3icr s VAL 537 Ca 0.27 0.86 -0.32 0.00 0.00 0.00 0.00 61.98 62.79 3icr s VAL 537 Cb -0.17 -4.61 -0.11 0.00 0.00 0.00 0.00 36.38 31.49 3icr s VAL 537 CO 0.16 -1.12 1.84 -0.67 0.00 0.00 0.00 175.10 175.31 3icr n ASP 538 N 7.88 3.71 0.00 3.32 2.03 -0.25 -0.98 116.55 132.26 3icr n ASP 538 Ca 0.08 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.37 3icr n ASP 538 Cb 0.49 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 3icr n ASP 538 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3icr n GLY 539 N 4.22 1.91 7.00 0.27 0.00 -1.25 -4.45 105.19 112.88 3icr n GLY 539 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3icr n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 540 N -2.00 0.93 0.24 -0.02 0.00 -0.15 -2.71 105.19 101.48 3icr n GLY 540 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 3icr n GLY 540 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3icr h PHE 541 N 0.00 0.76 -0.12 1.61 3.57 -0.03 -2.66 116.94 120.07 3icr h PHE 541 Ca 0.00 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.34 3icr h PHE 541 Cb 0.00 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 3icr h PHE 541 CO 0.00 0.91 -0.30 -0.22 -2.23 0.00 0.00 178.31 176.47 3icr h LYS 542 N 0.54 -0.36 0.02 1.11 1.63 -1.10 0.20 116.57 118.62 3icr h LYS 542 Ca 0.06 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3icr h LYS 542 Cb 0.86 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 3icr h LYS 542 CO 0.07 -0.24 -0.01 1.25 -3.45 0.00 0.00 179.45 177.07 3icr h LEU 543 N -0.38 -0.02 -0.30 5.20 5.85 -1.55 -2.80 115.31 121.31 3icr h LEU 543 Ca 0.10 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3icr h LEU 543 Cb 0.52 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3icr h LEU 543 CO -0.33 0.06 -0.17 0.22 -0.34 0.00 0.00 178.44 177.88 3icr h TYR 544 N -0.11 -0.41 0.00 1.25 3.20 -1.01 -2.10 116.97 117.78 3icr h TYR 544 Ca -0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3icr h TYR 544 Cb 0.10 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3icr h TYR 544 CO -0.05 -0.24 -0.21 0.78 -1.64 0.00 0.00 178.16 176.80 3icr h GLY 545 N -0.13 0.00 0.89 1.82 0.00 -0.64 0.61 103.07 105.63 3icr h GLY 545 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3icr h GLY 545 CO -0.38 0.00 -0.18 -0.84 0.00 0.00 0.00 176.54 175.14 3icr h THR 546 N 0.00 1.30 0.00 4.70 2.02 -1.11 -3.05 112.91 116.78 3icr h THR 546 Ca -0.00 -1.30 -0.21 0.00 0.77 0.00 0.00 66.41 65.67 3icr h THR 546 Cb 0.41 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 3icr h THR 546 CO 0.03 0.41 -1.64 0.55 0.37 0.00 0.00 175.52 175.23 3icr n VAL 547 N -4.40 1.24 -2.89 3.16 3.14 -1.00 -4.38 118.33 113.19 3icr n VAL 547 Ca -0.04 -0.73 -0.23 0.00 -2.96 0.00 0.00 64.34 60.38 3icr n VAL 547 Cb 0.39 -0.73 -0.02 0.00 -1.06 0.00 0.00 33.84 32.42 3icr n VAL 547 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3icr n LEU 548 N -2.87 3.37 0.11 6.55 4.77 0.19 -4.93 117.00 124.18 3icr n LEU 548 Ca -0.14 -5.26 0.04 0.00 -0.03 0.00 0.00 56.01 50.62 3icr n LEU 548 Cb 0.91 -0.14 0.45 0.00 -2.33 0.00 0.00 43.42 42.31 3icr n LEU 548 CO 0.44 2.25 1.01 1.55 -1.33 0.00 0.00 177.39 181.30 3icr h PRO 549 N 2.92 0.29 0.00 3.23 0.13 -1.73 -1.35 132.00 135.48 3icr h PRO 549 Ca 0.13 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3icr h PRO 549 Cb 0.75 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3icr h PRO 549 CO 0.72 0.30 0.00 1.05 -0.23 0.00 0.00 178.00 179.84 3icr h GLU 550 N 0.28 0.00 -0.01 0.86 9.09 -1.91 -2.46 114.58 120.43 3icr h GLU 550 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3icr h GLU 550 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 3icr h GLU 550 CO 0.00 0.00 -0.12 0.54 0.05 0.00 0.00 179.01 179.48 3icr n ARG 551 N -3.00 1.40 -2.09 1.06 1.74 -0.51 -4.94 116.66 110.32 3icr n ARG 551 Ca 0.00 -0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 55.78 3icr n ARG 551 Cb 0.26 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3icr n ARG 551 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3icr s ILE 552 N -2.21 2.90 -0.13 0.55 1.01 -0.93 -4.51 121.20 117.87 3icr s ILE 552 Ca 0.31 0.73 -0.05 0.00 0.00 0.00 0.00 60.65 61.64 3icr s ILE 552 Cb 0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3icr s ILE 552 CO 0.41 0.10 0.04 -0.69 0.00 0.00 0.00 174.94 174.81 3icr s VAL 553 N 0.22 4.66 -1.06 2.92 1.01 -1.26 -5.02 120.40 121.87 3icr s VAL 553 Ca 0.60 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.56 3icr s VAL 553 Cb -0.40 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.02 3icr s VAL 553 CO 0.39 0.54 0.77 -1.22 0.00 0.00 0.00 175.10 175.58