#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ics s SER 2 N 0.00 2.03 0.12 1.61 0.15 -1.26 -4.84 113.70 111.51 3ics s SER 2 Ca 0.00 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.23 3ics s SER 2 Cb 0.00 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 3ics s SER 2 CO 0.00 0.09 -0.16 -0.13 1.20 0.00 0.00 173.24 174.24 3ics s ARG 3 N -1.17 1.03 -0.41 5.44 0.52 -1.26 -5.01 118.95 118.09 3ics s ARG 3 Ca 0.04 -1.20 -0.15 0.00 -0.52 0.00 0.00 55.73 53.91 3ics s ARG 3 Cb -0.08 -1.02 0.03 0.00 0.52 0.00 0.00 34.95 34.40 3ics s ARG 3 CO 0.02 0.21 0.30 0.21 0.02 0.00 0.00 175.30 176.05 3ics s LYS 4 N -2.41 2.95 -0.21 3.54 2.20 -1.26 -1.59 119.74 122.96 3ics s LYS 4 Ca 0.07 -1.07 -0.06 0.00 -0.36 0.00 0.00 55.97 54.56 3ics s LYS 4 Cb -0.07 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 3ics s LYS 4 CO 0.04 -0.78 0.02 0.42 -0.36 0.00 0.00 175.35 174.69 3ics s ILE 5 N 1.66 4.12 -0.19 5.43 1.01 -0.08 -0.65 121.20 132.49 3ics s ILE 5 Ca 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3ics s ILE 5 Cb -0.20 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3ics s ILE 5 CO 0.09 0.41 -0.06 -0.69 0.00 0.00 0.00 174.94 174.70 3ics s VAL 6 N 1.06 3.42 -0.21 2.92 1.01 -0.06 -1.54 120.40 127.00 3ics s VAL 6 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3ics s VAL 6 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3ics s VAL 6 CO 0.02 0.45 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 3ics s VAL 7 N 1.09 4.02 -0.26 2.92 1.01 0.11 -0.55 120.40 128.74 3ics s VAL 7 Ca 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3ics s VAL 7 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3ics s VAL 7 CO -0.00 0.41 0.23 -0.69 0.00 0.00 0.00 175.10 175.04 3ics s VAL 8 N 1.12 5.30 0.00 2.92 1.01 0.10 -0.26 120.40 130.59 3ics s VAL 8 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3ics s VAL 8 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3ics s VAL 8 CO 0.02 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3ics n GLY 9 N 4.61 1.39 0.88 4.51 0.00 0.53 -0.51 105.19 116.60 3ics n GLY 9 Ca -0.13 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.61 3ics n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ics n GLY 10 N 2.88 4.69 0.00 -0.02 0.00 -1.26 -4.14 105.19 107.35 3ics n GLY 10 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3ics n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ics n VAL 11 N -1.00 0.00 0.28 1.61 0.31 -1.26 -1.89 118.33 116.38 3ics n VAL 11 Ca 0.26 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.48 3ics n VAL 11 Cb 0.91 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.78 3ics n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ics h ALA 12 N -0.23 -1.04 -0.41 3.52 0.00 -1.92 0.15 119.26 119.33 3ics h ALA 12 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3ics h ALA 12 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ics h ALA 12 CO 0.00 -0.99 -0.04 0.78 0.00 0.00 0.00 179.25 179.00 3ics h GLY 13 N -0.82 0.80 0.80 0.00 0.00 -1.89 -2.78 103.07 99.18 3ics h GLY 13 Ca -0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 3ics h GLY 13 CO 0.12 0.57 -0.06 -1.33 0.00 0.00 0.00 176.54 175.84 3ics h GLY 14 N 0.57 0.41 1.73 4.60 0.00 -1.71 -1.28 103.07 107.38 3ics h GLY 14 Ca 0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 3ics h GLY 14 CO 0.03 0.32 -0.47 0.00 0.00 0.00 0.00 176.54 176.42 3ics h ALA 15 N 0.72 0.99 0.00 3.60 0.00 -0.81 -2.15 119.26 121.61 3ics h ALA 15 Ca 0.05 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ics h ALA 15 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ics h ALA 15 CO 0.02 0.64 -0.00 0.77 0.00 0.00 0.00 179.25 180.68 3ics h SER 16 N 0.23 -0.00 -0.65 0.00 0.02 -1.43 -2.25 113.55 109.47 3ics h SER 16 Ca 0.01 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3ics h SER 16 Cb 0.92 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 3ics h SER 16 CO 0.08 0.30 0.27 1.62 -1.14 0.00 0.00 176.83 177.96 3ics h VAL 17 N -0.30 1.24 -0.67 2.27 3.04 -1.26 -3.01 116.25 117.55 3ics h VAL 17 Ca -0.00 -0.72 -0.01 0.00 -1.01 0.00 0.00 66.70 64.96 3ics h VAL 17 Cb 0.30 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 30.04 3ics h VAL 17 CO 0.00 0.29 0.39 0.00 -1.01 0.00 0.00 177.57 177.23 3ics h ALA 18 N 1.12 0.86 -0.19 3.17 0.00 -1.37 -1.02 119.26 121.83 3ics h ALA 18 Ca 0.22 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3ics h ALA 18 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ics h ALA 18 CO -0.02 0.35 -0.48 0.00 0.00 0.00 0.00 179.25 179.10 3ics h ALA 19 N 1.19 0.31 -0.46 0.00 0.00 -1.40 -2.74 119.26 116.16 3ics h ALA 19 Ca 0.24 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3ics h ALA 19 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ics h ALA 19 CO -0.04 0.48 -0.17 -0.09 0.00 0.00 0.00 179.25 179.43 3ics h ARG 20 N 0.35 0.89 -0.95 0.00 9.65 -1.51 -2.51 114.38 120.30 3ics h ARG 20 Ca -0.01 -0.34 0.10 0.00 -1.10 0.00 0.00 59.98 58.63 3ics h ARG 20 Cb 1.10 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.55 3ics h ARG 20 CO 0.11 0.99 0.59 -0.07 2.80 0.00 0.00 179.97 184.38 3ics h LEU 21 N 0.79 0.87 -0.39 3.80 3.38 -1.12 -1.47 115.31 121.16 3ics h LEU 21 Ca 0.12 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3ics h LEU 21 Cb 0.70 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3ics h LEU 21 CO 0.05 0.49 -0.15 -0.09 0.09 0.00 0.00 178.44 178.83 3ics h ARG 22 N 0.96 0.79 0.00 1.13 9.65 -1.21 -1.07 114.38 124.63 3ics h ARG 22 Ca 0.46 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3ics h ARG 22 Cb 0.40 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3ics h ARG 22 CO -0.25 0.95 -0.03 0.00 2.80 0.00 0.00 179.97 183.44 3ics h ARG 23 N 0.59 0.00 0.16 0.20 3.08 -0.98 -2.46 114.38 114.97 3ics h ARG 23 Ca 0.09 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.79 3ics h ARG 23 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 3ics h ARG 23 CO 0.05 0.03 -1.80 -0.07 -1.07 0.00 0.00 179.97 177.11 3ics h LEU 24 N 0.00 0.52 -7.43 3.04 3.38 -0.86 -3.46 115.31 110.50 3ics h LEU 24 Ca -0.00 -0.88 -0.35 0.00 0.09 0.00 0.00 57.88 56.74 3ics h LEU 24 Cb 0.13 -0.17 -0.37 0.00 0.09 0.00 0.00 40.66 40.34 3ics h LEU 24 CO 0.00 1.75 -0.74 -0.55 0.09 0.00 0.00 178.44 179.00 3ics s SER 25 N -7.16 0.75 0.37 -0.43 0.15 -0.44 -5.00 113.70 101.93 3ics s SER 25 Ca -0.17 0.04 0.20 0.00 0.70 0.00 0.00 55.95 56.72 3ics s SER 25 Cb 0.06 -0.16 0.22 0.00 -1.71 0.00 0.00 66.02 64.43 3ics s SER 25 CO 0.83 -0.19 1.52 -0.33 1.20 0.00 0.00 173.24 176.28 3ics h GLU 26 N 7.90 0.00 -0.03 5.44 4.39 -1.86 -3.37 114.58 127.05 3ics h GLU 26 Ca -0.28 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.23 3ics h GLU 26 Cb 1.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3ics h GLU 26 CO 0.31 0.20 -0.82 0.93 -1.16 0.00 0.00 179.01 178.47 3ics h GLU 27 N 0.00 0.33 -6.97 2.33 5.08 -1.92 -3.46 114.58 109.97 3ics h GLU 27 Ca -0.00 -0.31 -0.53 0.00 -1.00 0.00 0.00 59.36 57.52 3ics h GLU 27 Cb 1.16 0.08 0.09 0.00 0.50 0.00 0.00 28.75 30.58 3ics h GLU 27 CO 0.03 0.98 0.61 -0.51 -1.00 0.00 0.00 179.01 179.12 3ics s ASP 28 N -6.98 6.14 -0.34 1.42 1.01 -1.26 -4.71 116.67 111.95 3ics s ASP 28 Ca -0.05 2.66 -0.22 0.00 0.71 0.00 0.00 52.55 55.65 3ics s ASP 28 Cb 0.10 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3ics s ASP 28 CO 0.84 -0.97 0.71 -0.70 0.21 0.00 0.00 175.17 175.26 3ics s GLU 29 N -2.38 3.80 -0.20 8.23 2.12 -0.62 -4.98 118.70 124.67 3ics s GLU 29 Ca 0.59 0.29 -0.02 0.00 0.36 0.00 0.00 54.97 56.19 3ics s GLU 29 Cb -0.38 -3.78 -0.00 0.00 0.26 0.00 0.00 34.13 30.23 3ics s GLU 29 CO 0.48 -0.73 -0.09 0.42 -0.54 0.00 0.00 175.26 174.80 3ics s ILE 30 N 2.86 3.00 0.42 -3.70 1.01 -1.26 -0.90 121.20 122.63 3ics s ILE 30 Ca 0.28 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3ics s ILE 30 Cb -0.14 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.00 3ics s ILE 30 CO 0.14 0.46 0.09 -0.38 0.00 0.00 0.00 174.94 175.25 3ics n ILE 31 N 4.66 0.00 -3.21 2.92 5.41 -0.59 -1.00 119.36 127.55 3ics n ILE 31 Ca -0.19 -1.89 0.04 0.00 1.00 0.00 0.00 62.75 61.70 3ics n ILE 31 Cb 0.51 0.26 -0.04 0.00 -0.71 0.00 0.00 39.64 39.65 3ics n ILE 31 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3ics s VAL 33 N -2.41 -0.04 -0.05 1.39 1.01 0.64 0.08 120.40 121.02 3ics s VAL 33 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3ics s VAL 33 Cb -0.01 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3ics s VAL 33 CO 0.04 0.00 -0.10 -0.70 0.00 0.00 0.00 175.10 174.34 3ics s GLU 34 N 1.97 1.30 0.23 2.72 2.56 0.29 -0.35 118.70 127.42 3ics s GLU 34 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 54.97 54.75 3ics s GLU 34 Cb -0.01 -1.14 0.19 0.00 2.00 0.00 0.00 34.13 35.17 3ics s GLU 34 CO -0.16 0.03 1.51 0.07 -0.56 0.00 0.00 175.26 176.15 3ics h ARG 35 N 6.84 0.00 -7.62 4.30 0.11 -1.73 -0.66 114.38 115.62 3ics h ARG 35 Ca -0.34 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.29 3ics h ARG 35 Cb 1.17 0.00 0.14 0.00 1.11 0.00 0.00 29.97 32.39 3ics h ARG 35 CO 0.48 0.72 0.34 0.20 0.10 0.00 0.00 179.97 181.81 3ics s GLY 36 N -4.54 1.77 0.43 0.08 0.00 -1.26 -3.37 107.32 100.42 3ics s GLY 36 Ca -0.00 -1.31 0.24 0.00 0.00 0.00 0.00 44.72 43.65 3ics s GLY 36 CO 0.78 -0.61 1.67 -2.09 0.00 0.00 0.00 173.10 172.84 3ics h GLU 37 N -1.30 0.00 -6.42 2.90 4.81 -1.95 -0.92 114.58 111.71 3ics h GLU 37 Ca -0.42 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.18 3ics h GLU 37 Cb 1.25 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.39 3ics h GLU 37 CO 0.40 0.12 -0.85 0.71 -0.73 0.00 0.00 179.01 178.66 3ics s TYR 38 N -3.30 2.02 0.15 0.92 2.02 -1.26 -4.83 117.35 113.07 3ics s TYR 38 Ca 0.05 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 3ics s TYR 38 Cb 0.07 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 3ics s TYR 38 CO 0.66 0.18 0.06 0.96 -1.57 0.00 0.00 175.55 175.84 3ics s ILE 39 N -0.94 4.14 -1.32 2.71 -4.36 -1.26 -4.73 121.20 115.44 3ics s ILE 39 Ca 0.09 -1.17 -0.09 0.00 -0.26 0.00 0.00 60.65 59.23 3ics s ILE 39 Cb -0.10 -3.08 0.07 0.00 1.25 0.00 0.00 42.46 40.61 3ics s ILE 39 CO 0.03 -0.06 0.51 -1.20 0.24 0.00 0.00 174.94 174.47 3ics n SER 40 N -0.07 -3.91 -4.80 4.36 7.64 -0.79 -4.50 113.62 111.54 3ics n SER 40 Ca -0.09 -0.40 -0.32 0.00 1.01 0.00 0.00 58.87 59.07 3ics n SER 40 Cb 0.54 -3.23 0.04 0.00 -1.01 0.00 0.00 64.21 60.55 3ics n SER 40 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3ics s PHE 41 N -2.96 2.94 -1.33 1.43 -0.12 -1.26 -2.83 117.98 113.85 3ics s PHE 41 Ca 0.40 1.49 -0.16 0.00 -0.05 0.00 0.00 56.93 58.62 3ics s PHE 41 Cb -0.21 -2.99 0.08 0.00 -0.63 0.00 0.00 43.02 39.28 3ics s PHE 41 CO 0.49 -1.31 1.85 0.00 -0.05 0.00 0.00 175.22 176.20 3ics n ALA 42 N -2.67 4.31 -0.31 1.99 0.00 0.78 -4.79 120.51 119.82 3ics n ALA 42 Ca 0.09 -3.95 0.15 0.00 0.00 0.00 0.00 53.44 49.72 3ics n ALA 42 Cb 0.53 -3.46 0.33 0.00 0.00 0.00 0.00 19.45 16.84 3ics n ALA 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3ics h ASN 43 N 6.92 0.17 0.80 0.00 4.21 -1.89 0.43 115.58 126.21 3ics h ASN 43 Ca 0.46 0.19 -0.03 0.00 1.21 0.00 0.00 56.30 58.13 3ics h ASN 43 Cb 0.79 0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 38.20 3ics h ASN 43 CO 1.56 -0.12 -0.14 0.00 -1.29 0.00 0.00 177.43 177.45 3ics n GLY 45 N -0.09 -1.45 0.19 0.00 0.00 0.13 -4.43 105.19 99.54 3ics n GLY 45 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 3ics n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ics h LEU 46 N 0.00 -0.47 -1.79 0.99 3.38 -1.40 -1.43 115.31 114.59 3ics h LEU 46 Ca 0.00 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3ics h LEU 46 Cb 0.63 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3ics h LEU 46 CO 0.00 -0.17 0.17 -0.65 0.09 0.00 0.00 178.44 177.88 3ics h PRO 47 N -0.05 0.27 0.00 1.13 0.11 -1.82 -1.97 132.00 129.67 3ics h PRO 47 Ca 0.19 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.17 3ics h PRO 47 Cb 0.34 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3ics h PRO 47 CO -0.43 0.18 -0.54 1.88 -0.21 0.00 0.00 178.00 178.88 3ics h TYR 48 N 0.28 0.00 -0.14 0.65 0.05 -1.57 -0.79 116.97 115.45 3ics h TYR 48 Ca 0.10 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 3ics h TYR 48 Cb 0.05 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.79 3ics h TYR 48 CO -0.00 0.54 -0.13 -0.92 -1.05 0.00 0.00 178.16 176.61 3ics h TYR 49 N 0.00 0.39 -0.86 4.88 3.20 -0.99 0.20 116.97 123.79 3ics h TYR 49 Ca -0.01 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 61.84 3ics h TYR 49 Cb 1.33 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.44 3ics h TYR 49 CO 0.00 0.72 0.51 0.82 -1.64 0.00 0.00 178.16 178.57 3ics h ILE 50 N -0.05 0.93 0.00 1.81 2.04 -1.22 -1.77 117.51 119.26 3ics h ILE 50 Ca 0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3ics h ILE 50 Cb 0.65 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3ics h ILE 50 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.95 3ics n GLY 51 N -1.33 -0.99 2.11 5.37 0.00 -0.31 -4.88 105.19 105.15 3ics n GLY 51 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3ics n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ics n GLY 52 N 0.57 0.58 0.10 -0.02 0.00 -0.66 -4.64 105.19 101.12 3ics n GLY 52 Ca 0.11 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 3ics n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ics h VAL 53 N 0.00 1.21 -3.04 1.61 2.07 -0.89 -3.39 116.25 113.82 3ics h VAL 53 Ca -0.05 -2.30 -0.60 0.00 0.82 0.00 0.00 66.70 64.57 3ics h VAL 53 Cb 0.19 2.72 -0.12 0.00 -1.52 0.00 0.00 31.29 32.57 3ics h VAL 53 CO 0.07 0.52 0.64 -0.63 0.02 0.00 0.00 177.57 178.20 3ics s ILE 54 N -2.36 4.29 0.12 4.57 1.01 -0.54 -4.91 121.20 123.37 3ics s ILE 54 Ca -0.23 0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.73 3ics s ILE 54 Cb 0.03 -4.61 -0.21 0.00 0.01 0.00 0.00 42.46 37.67 3ics s ILE 54 CO 0.68 -1.25 1.27 0.71 0.00 0.00 0.00 174.94 176.34 3ics h THR 55 N 6.03 1.70 -3.58 2.92 1.35 -1.87 -3.38 112.91 116.07 3ics h THR 55 Ca -0.27 -3.41 -0.64 0.00 -0.55 0.00 0.00 66.41 61.55 3ics h THR 55 Cb 1.07 2.85 -0.14 0.00 -1.73 0.00 0.00 68.15 70.20 3ics h THR 55 CO 1.13 0.97 0.05 -1.61 -0.25 0.00 0.00 175.52 175.80 3ics s GLU 56 N -2.71 3.69 0.33 4.72 2.02 -1.26 -4.93 118.70 120.57 3ics s GLU 56 Ca 0.01 -0.01 0.05 0.00 0.02 0.00 0.00 54.97 55.03 3ics s GLU 56 Cb 0.10 -3.79 0.67 0.00 0.10 0.00 0.00 34.13 31.21 3ics s GLU 56 CO 0.82 -0.66 1.91 -0.09 0.02 0.00 0.00 175.26 177.27 3ics h ARG 57 N 8.41 0.83 0.00 1.61 2.43 -1.99 -2.51 114.38 123.15 3ics h ARG 57 Ca -0.27 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 3ics h ARG 57 Cb 1.12 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3ics h ARG 57 CO 0.80 0.55 -0.15 0.37 -1.51 0.00 0.00 179.97 180.02 3ics h GLN 58 N 0.85 0.00 0.00 0.20 5.75 -1.96 -1.34 115.11 118.61 3ics h GLN 58 Ca 0.39 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.87 3ics h GLN 58 Cb 0.37 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 3ics h GLN 58 CO -0.15 0.15 -0.05 0.87 -2.65 0.00 0.00 178.83 176.99 3ics h LYS 59 N 0.00 0.00 0.00 1.69 1.57 -1.87 -2.25 116.57 115.71 3ics h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ics h LYS 59 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3ics h LYS 59 CO 0.02 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3ics n LEU 60 N -3.63 0.26 -4.25 2.94 4.77 -0.50 -4.37 117.00 112.21 3ics n LEU 60 Ca -0.02 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 56.09 3ics n LEU 60 Cb 0.16 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 3ics n LEU 60 CO 0.28 -0.35 0.03 -0.76 -1.33 0.00 0.00 177.39 175.27 3ics s LEU 61 N -3.56 5.87 0.07 2.23 1.43 -0.85 -0.16 118.68 123.71 3ics s LEU 61 Ca 0.06 -1.86 -0.17 0.00 -1.03 0.00 0.00 54.13 51.13 3ics s LEU 61 Cb 0.10 -2.08 -0.12 0.00 0.03 0.00 0.00 46.19 44.12 3ics s LEU 61 CO 0.33 -0.75 1.37 0.58 0.23 0.00 0.00 176.35 178.11 3ics h VAL 62 N 6.05 1.33 -3.62 -1.59 2.07 -1.72 -3.44 116.25 115.32 3ics h VAL 62 Ca -0.24 -1.43 -0.22 0.00 0.82 0.00 0.00 66.70 65.63 3ics h VAL 62 Cb 1.08 1.76 -0.28 0.00 -1.52 0.00 0.00 31.29 32.33 3ics h VAL 62 CO 0.92 0.44 -0.66 -1.10 0.02 0.00 0.00 177.57 177.19 3ics s GLN 63 N -4.27 0.06 0.58 1.57 -0.21 -1.26 -5.10 119.66 111.03 3ics s GLN 63 Ca -0.13 0.07 -0.11 0.00 0.02 0.00 0.00 55.36 55.20 3ics s GLN 63 Cb 0.07 0.03 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 3ics s GLN 63 CO 0.80 -0.01 1.00 0.95 -2.12 0.00 0.00 175.29 175.91 3ics s THR 64 N 0.02 4.70 0.12 -0.19 -4.23 -1.26 -4.64 115.64 110.16 3ics s THR 64 Ca -0.00 0.88 -0.22 0.00 -1.18 0.00 0.00 61.69 61.17 3ics s THR 64 Cb -0.00 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 3ics s THR 64 CO 0.00 -1.03 1.70 0.58 -0.54 0.00 0.00 174.62 175.33 3ics h VAL 65 N -0.02 0.76 -0.56 2.29 2.07 -1.94 -3.15 116.25 115.69 3ics h VAL 65 Ca -0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3ics h VAL 65 Cb 1.19 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3ics h VAL 65 CO 0.62 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 178.17 3ics h GLU 66 N -0.11 0.80 -0.24 1.57 3.07 -1.98 -1.47 114.58 116.22 3ics h GLU 66 Ca 0.06 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3ics h GLU 66 Cb 0.19 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3ics h GLU 66 CO -0.15 0.63 0.00 0.54 -1.40 0.00 0.00 179.01 178.63 3ics n ARG 67 N -4.58 0.37 0.00 2.33 1.74 -1.19 -2.11 116.66 113.22 3ics n ARG 67 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3ics n ARG 67 Cb 0.10 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3ics n ARG 67 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ics n SER 69 N 0.03 0.00 -0.03 0.55 3.41 -0.56 -1.13 113.62 115.89 3ics n SER 69 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 3ics n SER 69 Cb 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 3ics n SER 69 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ics h LYS 70 N 0.00 0.15 -0.74 4.33 1.63 -1.67 -1.74 116.57 118.54 3ics h LYS 70 Ca 0.00 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 3ics h LYS 70 Cb 0.00 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3ics h LYS 70 CO 0.00 0.71 0.33 -0.09 -3.45 0.00 0.00 179.45 176.95 3ics h ARG 71 N -0.37 1.08 -0.17 1.90 2.43 -1.39 -3.17 114.38 114.68 3ics h ARG 71 Ca -0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3ics h ARG 71 Cb 0.71 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3ics h ARG 71 CO 0.02 0.86 0.00 1.19 -1.51 0.00 0.00 179.97 180.54 3ics n PHE 72 N -4.38 0.51 -4.13 2.20 3.72 -1.25 -4.99 117.46 109.14 3ics n PHE 72 Ca 0.06 -0.83 -0.36 0.00 -0.05 0.00 0.00 57.45 56.27 3ics n PHE 72 Cb 0.15 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3ics n PHE 72 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ics n ASN 73 N -0.65 -1.61 -4.67 4.37 5.15 -0.73 -4.88 115.26 112.24 3ics n ASN 73 Ca 0.17 -1.23 -0.35 0.00 -0.60 0.00 0.00 54.58 52.56 3ics n ASN 73 Cb 0.70 -1.95 -0.09 0.00 -0.53 0.00 0.00 39.78 37.91 3ics n ASN 73 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ics s LEU 74 N -7.30 3.78 -0.74 1.20 1.02 -0.74 -4.66 118.68 111.24 3ics s LEU 74 Ca 0.22 0.13 -0.24 0.00 0.02 0.00 0.00 54.13 54.27 3ics s LEU 74 Cb -0.12 -1.92 0.06 0.00 0.02 0.00 0.00 46.19 44.23 3ics s LEU 74 CO 0.97 0.26 1.15 -0.62 0.02 0.00 0.00 176.35 178.12 3ics s ASP 75 N -0.16 6.23 -0.23 2.29 -1.08 -0.17 -4.57 116.67 118.98 3ics s ASP 75 Ca 0.07 -0.90 -0.07 0.00 -0.52 0.00 0.00 52.55 51.13 3ics s ASP 75 Cb -0.12 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 3ics s ASP 75 CO 0.01 -1.58 0.05 -0.63 0.52 0.00 0.00 175.17 173.54 3ics s ILE 76 N 4.71 4.20 -0.36 4.11 1.01 -1.26 -4.23 121.20 129.38 3ics s ILE 76 Ca 0.30 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3ics s ILE 76 Cb -0.11 -2.95 0.10 0.00 0.01 0.00 0.00 42.46 39.52 3ics s ILE 76 CO 0.09 0.37 0.09 -0.13 0.00 0.00 0.00 174.94 175.35 3ics s ARG 77 N 1.43 1.59 0.62 2.79 0.52 -1.26 -5.04 118.95 119.61 3ics s ARG 77 Ca 0.05 -1.92 -0.04 0.00 -0.52 0.00 0.00 55.73 53.30 3ics s ARG 77 Cb -0.15 -3.27 0.04 0.00 0.52 0.00 0.00 34.95 32.09 3ics s ARG 77 CO 0.03 -0.97 0.91 0.14 0.02 0.00 0.00 175.30 175.42 3ics s VAL 78 N 0.86 2.79 -1.61 3.52 -7.23 -1.26 -0.55 120.40 116.92 3ics s VAL 78 Ca 0.11 -0.32 -0.14 0.00 -1.81 0.00 0.00 61.98 59.82 3ics s VAL 78 Cb -0.20 -3.13 0.11 0.00 0.56 0.00 0.00 36.38 33.72 3ics s VAL 78 CO -0.07 -0.13 0.76 0.18 -0.31 0.00 0.00 175.10 175.54 3ics n LEU 79 N -2.65 -2.01 -3.76 1.32 4.77 -0.35 -4.87 117.00 109.45 3ics n LEU 79 Ca 0.07 -0.96 -0.26 0.00 -0.03 0.00 0.00 56.01 54.84 3ics n LEU 79 Cb 0.59 -2.23 -0.17 0.00 -2.33 0.00 0.00 43.42 39.29 3ics n LEU 79 CO 0.50 0.36 -0.38 -0.44 -1.33 0.00 0.00 177.39 176.11 3ics s SER 80 N -3.52 2.29 -0.23 -1.43 0.01 -0.57 -1.74 113.70 108.51 3ics s SER 80 Ca 0.57 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 3ics s SER 80 Cb -0.31 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 3ics s SER 80 CO 0.90 -0.25 0.05 -0.70 0.41 0.00 0.00 173.24 173.65 3ics s GLU 81 N 1.91 3.70 -0.09 12.44 2.12 0.23 -2.29 118.70 136.73 3ics s GLU 81 Ca 0.02 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 3ics s GLU 81 Cb -0.15 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3ics s GLU 81 CO -0.07 -0.07 1.40 0.08 -0.54 0.00 0.00 175.26 176.07 3ics s VAL 82 N 1.28 3.95 -0.47 3.70 1.01 -1.26 -0.03 120.40 128.57 3ics s VAL 82 Ca 0.05 1.21 0.20 0.00 0.00 0.00 0.00 61.98 63.44 3ics s VAL 82 Cb -0.15 -3.78 -0.27 0.00 0.00 0.00 0.00 36.38 32.18 3ics s VAL 82 CO 0.03 -0.08 0.65 1.33 0.00 0.00 0.00 175.10 177.03 3ics n VAL 83 N 5.19 0.00 -3.64 2.92 0.24 0.93 -4.94 118.33 119.02 3ics n VAL 83 Ca 0.14 -0.26 -0.06 0.00 -2.04 0.00 0.00 64.34 62.13 3ics n VAL 83 Cb 0.44 0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 3ics n VAL 83 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3ics s LYS 84 N -3.18 0.43 -0.21 7.34 2.20 -1.22 -4.98 119.74 120.13 3ics s LYS 84 Ca -0.00 0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 56.11 3ics s LYS 84 Cb 0.14 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 3ics s LYS 84 CO 0.84 -0.07 0.23 0.42 -0.36 0.00 0.00 175.35 176.41 3ics s ILE 85 N 0.80 5.32 -1.01 5.43 1.01 -1.26 -0.54 121.20 130.95 3ics s ILE 85 Ca -0.03 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.93 3ics s ILE 85 Cb -0.04 -3.57 0.25 0.00 0.01 0.00 0.00 42.46 39.11 3ics s ILE 85 CO -0.11 0.34 0.98 0.59 0.00 0.00 0.00 174.94 176.75 3ics n ASN 86 N 4.11 4.95 0.24 3.58 3.02 0.11 -4.66 115.26 126.61 3ics n ASN 86 Ca -0.13 -3.11 0.12 0.00 -0.03 0.00 0.00 54.58 51.42 3ics n ASN 86 Cb 0.52 -1.21 0.59 0.00 -0.61 0.00 0.00 39.78 39.07 3ics n ASN 86 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3ics h LYS 87 N 6.21 0.00 -0.05 3.52 2.10 -1.92 0.21 116.57 126.64 3ics h LYS 87 Ca 0.17 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.64 3ics h LYS 87 Cb 0.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 3ics h LYS 87 CO 0.96 0.17 -0.75 0.93 -2.00 0.00 0.00 179.45 178.77 3ics h GLU 88 N 0.00 0.31 -0.00 0.07 4.39 -1.93 -3.19 114.58 114.24 3ics h GLU 88 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3ics h GLU 88 Cb 0.57 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3ics h GLU 88 CO 0.02 0.93 -0.55 0.39 -1.16 0.00 0.00 179.01 178.64 3ics n GLU 89 N -3.80 0.11 -3.84 2.33 4.71 -0.76 -4.96 120.64 114.44 3ics n GLU 89 Ca -0.04 -0.07 -0.24 0.00 -0.01 0.00 0.00 57.16 56.81 3ics n GLU 89 Cb 0.72 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.65 3ics n GLU 89 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3ics n LYS 90 N -1.39 -4.17 -4.27 3.49 5.02 -0.01 -4.90 118.16 111.93 3ics n LYS 90 Ca 0.06 0.52 -0.16 0.00 -2.02 0.00 0.00 58.31 56.71 3ics n LYS 90 Cb 0.34 -4.90 -0.10 0.00 -0.02 0.00 0.00 35.03 30.35 3ics n LYS 90 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ics s THR 91 N -3.77 1.32 0.14 -0.18 -4.23 -0.91 -1.24 115.64 106.77 3ics s THR 91 Ca 0.05 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.65 3ics s THR 91 Cb -0.03 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 3ics s THR 91 CO 0.85 -0.64 -0.24 0.27 -0.54 0.00 0.00 174.62 174.31 3ics s ILE 92 N -2.99 2.15 -0.23 2.99 -4.36 0.87 0.08 121.20 119.70 3ics s ILE 92 Ca 0.16 -1.81 -0.09 0.00 -0.26 0.00 0.00 60.65 58.65 3ics s ILE 92 Cb 0.00 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 3ics s ILE 92 CO 0.02 -0.03 0.13 -0.89 0.24 0.00 0.00 174.94 174.41 3ics s THR 93 N -1.32 5.09 -0.09 8.37 2.01 0.29 -0.83 115.64 129.16 3ics s THR 93 Ca 0.15 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.25 3ics s THR 93 Cb -0.09 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 3ics s THR 93 CO 0.07 0.37 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.59 3ics s ILE 94 N 1.01 3.01 -0.16 1.82 1.01 0.02 -0.05 121.20 127.86 3ics s ILE 94 Ca 0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 3ics s ILE 94 Cb -0.14 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3ics s ILE 94 CO 0.04 0.56 -0.10 -0.75 0.00 0.00 0.00 174.94 174.69 3ics s LYS 95 N -0.19 3.40 -0.06 2.79 2.20 0.95 -1.07 119.74 127.76 3ics s LYS 95 Ca 0.00 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 3ics s LYS 95 Cb -0.13 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.35 3ics s LYS 95 CO 0.03 0.08 1.79 1.21 -0.36 0.00 0.00 175.35 178.09 3ics s ASN 96 N 0.73 6.48 0.41 1.43 3.84 0.90 -0.60 114.94 128.14 3ics s ASN 96 Ca -0.04 2.28 0.15 0.00 0.21 0.00 0.00 52.86 55.46 3ics s ASN 96 Cb -0.15 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 38.91 3ics s ASN 96 CO 0.02 -1.07 1.90 0.58 -2.79 0.00 0.00 177.10 175.74 3ics h VAL 97 N 5.76 1.13 0.06 -5.21 2.07 -1.66 0.37 116.25 118.78 3ics h VAL 97 Ca -0.42 -1.00 -0.24 0.00 0.82 0.00 0.00 66.70 65.86 3ics h VAL 97 Cb 1.20 1.55 0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3ics h VAL 97 CO 0.96 0.28 -0.96 0.74 0.02 0.00 0.00 177.57 178.61 3ics h THR 98 N 0.00 1.35 0.00 2.57 2.02 -1.91 -3.39 112.91 113.56 3ics h THR 98 Ca -0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3ics h THR 98 Cb 0.53 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3ics h THR 98 CO 0.04 0.69 -0.56 0.35 0.37 0.00 0.00 175.52 176.41 3ics n THR 99 N -3.98 0.00 -0.85 3.16 -2.24 -1.15 -5.00 114.28 104.23 3ics n THR 99 Ca -0.12 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3ics n THR 99 Cb 0.85 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 3ics n THR 99 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ics n ASN 100 N -1.30 -2.35 -4.77 3.42 3.02 0.13 -5.00 115.26 108.41 3ics n ASN 100 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 3ics n ASN 100 Cb 0.16 -1.89 -0.04 0.00 -0.61 0.00 0.00 39.78 37.40 3ics n ASN 100 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3ics s GLU 101 N -0.89 4.42 0.20 3.52 -1.05 -1.25 -4.74 118.70 118.91 3ics s GLU 101 Ca 0.00 1.71 0.10 0.00 -0.15 0.00 0.00 54.97 56.63 3ics s GLU 101 Cb 0.00 -2.92 -0.04 0.00 -0.44 0.00 0.00 34.13 30.72 3ics s GLU 101 CO 0.00 0.04 -0.15 0.95 0.95 0.00 0.00 175.26 177.05 3ics s THR 102 N -1.35 2.86 0.13 1.83 -4.23 -1.26 -0.07 115.64 113.56 3ics s THR 102 Ca 0.50 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 3ics s THR 102 Cb -0.29 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3ics s THR 102 CO 0.36 -0.15 0.29 -0.72 -0.54 0.00 0.00 174.62 173.86 3ics s TYR 103 N -1.79 0.18 0.05 3.99 -0.85 -0.23 -4.99 117.35 113.71 3ics s TYR 103 Ca 0.24 -0.56 -0.00 0.00 -0.52 0.00 0.00 57.07 56.23 3ics s TYR 103 Cb -0.08 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.25 3ics s TYR 103 CO 0.14 -0.67 0.17 -0.80 -1.52 0.00 0.00 175.55 172.87 3ics s ASN 104 N -2.90 6.17 -0.06 -0.18 0.01 -1.26 -0.80 114.94 115.92 3ics s ASN 104 Ca 0.10 0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 52.47 3ics s ASN 104 Cb 0.03 -1.86 0.03 0.00 0.41 0.00 0.00 41.25 39.86 3ics s ASN 104 CO -0.06 0.20 -0.01 -0.70 -1.51 0.00 0.00 177.10 175.02 3ics s GLU 105 N -2.33 0.64 0.45 -0.60 2.56 -0.01 -4.97 118.70 114.44 3ics s GLU 105 Ca 0.32 0.06 -0.20 0.00 0.00 0.00 0.00 54.97 55.15 3ics s GLU 105 Cb -0.13 -0.91 -0.10 0.00 2.00 0.00 0.00 34.13 34.99 3ics s GLU 105 CO 0.24 -0.24 0.96 0.00 -0.56 0.00 0.00 175.26 175.66 3ics s ALA 106 N 1.68 3.05 0.08 6.30 0.00 -1.26 -0.09 121.76 131.52 3ics s ALA 106 Ca 0.01 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.35 3ics s ALA 106 Cb -0.13 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3ics s ALA 106 CO -0.04 0.04 -0.11 1.52 0.00 0.00 0.00 175.76 177.17 3ics s TYR 107 N -2.29 1.03 -0.19 0.00 1.13 -0.37 -4.91 117.35 111.75 3ics s TYR 107 Ca 0.61 -0.60 -0.16 0.00 -1.41 0.00 0.00 57.07 55.52 3ics s TYR 107 Cb -0.09 -0.57 -0.21 0.00 -1.10 0.00 0.00 41.96 39.99 3ics s TYR 107 CO 0.18 -0.00 0.20 -0.25 -2.51 0.00 0.00 175.55 173.16 3ics n ASP 108 N 0.83 1.95 -4.07 -0.18 8.00 0.17 -4.81 116.55 118.44 3ics n ASP 108 Ca -0.18 0.33 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 3ics n ASP 108 Cb 0.57 -0.91 -0.15 0.00 -0.02 0.00 0.00 41.12 40.60 3ics n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ics s VAL 109 N -2.44 1.01 -0.06 2.53 1.01 -0.83 -4.88 120.40 116.74 3ics s VAL 109 Ca -0.28 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3ics s VAL 109 Cb 0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 3ics s VAL 109 CO 0.64 0.29 -0.25 -0.22 0.00 0.00 0.00 175.10 175.57 3ics s LEU 110 N -0.10 2.06 -0.13 3.92 2.96 0.19 -0.88 118.68 126.69 3ics s LEU 110 Ca 0.01 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3ics s LEU 110 Cb -0.07 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.28 3ics s LEU 110 CO 0.00 0.23 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.51 3ics s ILE 111 N -0.09 1.41 -0.30 6.68 1.01 0.29 0.17 121.20 130.36 3ics s ILE 111 Ca -0.06 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 3ics s ILE 111 Cb -0.14 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3ics s ILE 111 CO 0.04 0.43 0.14 -0.76 0.00 0.00 0.00 174.94 174.79 3ics s LEU 112 N 1.45 4.04 -0.45 2.97 1.43 0.52 0.01 118.68 128.65 3ics s LEU 112 Ca 0.03 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3ics s LEU 112 Cb -0.13 -1.98 0.33 0.00 0.03 0.00 0.00 46.19 44.44 3ics s LEU 112 CO -0.08 -0.18 0.78 -0.24 0.23 0.00 0.00 176.35 176.86 3ics n SER 113 N 4.97 2.11 -0.09 2.29 2.88 0.34 -1.09 113.62 125.02 3ics n SER 113 Ca -0.14 -3.22 0.15 0.00 -1.33 0.00 0.00 58.87 54.32 3ics n SER 113 Cb 0.49 -0.60 0.68 0.00 -0.75 0.00 0.00 64.21 64.03 3ics n SER 113 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3ics n PRO 114 N 0.24 0.70 0.00 -1.46 -0.04 -1.25 -4.37 135.00 128.81 3ics n PRO 114 Ca 0.27 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3ics n PRO 114 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3ics n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ics n GLY 115 N 1.24 -0.41 3.13 0.55 0.00 -1.26 -4.74 105.19 103.70 3ics n GLY 115 Ca 0.16 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 3ics n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ics s ALA 116 N -1.19 0.84 0.17 4.61 0.00 -1.26 -1.25 121.76 123.68 3ics s ALA 116 Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 51.96 50.89 3ics s ALA 116 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3ics s ALA 116 CO 0.00 -0.18 -0.23 -1.59 0.00 0.00 0.00 175.76 173.75 3ics s LYS 117 N -3.21 1.43 0.51 0.00 -2.85 -0.11 -4.86 119.74 110.65 3ics s LYS 117 Ca 0.05 -1.45 -0.23 0.00 -1.00 0.00 0.00 55.97 53.34 3ics s LYS 117 Cb 0.01 -1.74 -0.06 0.00 -2.06 0.00 0.00 37.83 33.98 3ics s LYS 117 CO -0.04 0.38 1.34 -2.14 0.10 0.00 0.00 175.35 175.00 3ics s PRO 118 N -2.54 3.36 -0.08 1.78 0.02 -1.26 -0.49 135.00 135.80 3ics s PRO 118 Ca 0.18 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 3ics s PRO 118 Cb -0.08 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 32.05 3ics s PRO 118 CO 0.08 -1.00 1.02 0.42 -0.33 0.00 0.00 177.00 177.19 3ics s ILE 119 N -1.32 4.75 -0.28 2.83 1.01 -0.02 -4.75 121.20 123.43 3ics s ILE 119 Ca 0.68 2.01 -0.05 0.00 0.00 0.00 0.00 60.65 63.29 3ics s ILE 119 Cb -0.39 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 37.80 3ics s ILE 119 CO 0.47 0.03 0.03 -0.69 0.00 0.00 0.00 174.94 174.79 3ics s VAL 120 N 1.82 3.56 0.62 2.92 1.01 -1.26 -4.61 120.40 124.46 3ics s VAL 120 Ca 0.50 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 3ics s VAL 120 Cb -0.19 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3ics s VAL 120 CO 0.20 0.10 1.03 -2.16 0.00 0.00 0.00 175.10 174.27 3ics s PRO 121 N 1.43 3.57 -1.07 2.72 0.04 -1.26 -4.98 135.00 135.44 3ics s PRO 121 Ca 0.01 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.65 3ics s PRO 121 Cb -0.17 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.39 3ics s PRO 121 CO 0.00 -0.59 1.40 -1.12 0.04 0.00 0.00 177.00 176.73 3ics s SER 122 N -4.04 6.67 -0.24 6.66 0.01 -1.26 -4.98 113.70 116.53 3ics s SER 122 Ca 0.56 -2.01 -0.10 0.00 1.31 0.00 0.00 55.95 55.71 3ics s SER 122 Cb -0.11 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 3ics s SER 122 CO 0.52 -1.22 0.15 -0.63 0.41 0.00 0.00 173.24 172.47 3ics s ILE 123 N 3.72 5.15 0.02 1.44 1.01 -1.26 -5.06 121.20 126.22 3ics s ILE 123 Ca 0.43 0.11 -0.37 0.00 0.00 0.00 0.00 60.65 60.82 3ics s ILE 123 Cb -0.01 -3.41 -0.15 0.00 0.01 0.00 0.00 42.46 38.90 3ics s ILE 123 CO -0.05 0.33 1.52 -2.65 0.00 0.00 0.00 174.94 174.09 3ics n PRO 124 N 4.47 1.46 -0.57 2.79 -0.02 -1.26 -1.46 135.00 140.41 3ics n PRO 124 Ca -0.15 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3ics n PRO 124 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3ics n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ics n GLY 125 N 3.20 0.73 0.18 -1.23 0.00 -1.26 -0.84 105.19 105.97 3ics n GLY 125 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 3ics n GLY 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ics h ILE 126 N 0.00 0.96 0.00 -0.61 2.10 -1.53 -2.89 117.51 115.55 3ics h ILE 126 Ca 0.00 -1.58 0.00 0.00 1.08 0.00 0.00 64.86 64.36 3ics h ILE 126 Cb 0.00 1.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 3ics h ILE 126 CO 0.00 0.39 0.00 -0.33 -1.08 0.00 0.00 178.15 177.13 3ics h GLU 127 N 0.00 0.00 -0.01 2.19 3.07 -1.93 -2.99 114.58 114.91 3ics h GLU 127 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ics h GLU 127 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3ics h GLU 127 CO 0.05 0.00 -0.54 0.39 -1.40 0.00 0.00 179.01 177.51 3ics n GLU 128 N -2.69 1.05 -2.63 2.33 1.02 -1.10 -4.85 120.64 113.77 3ics n GLU 128 Ca 0.02 -0.86 -0.43 0.00 -0.02 0.00 0.00 57.16 55.87 3ics n GLU 128 Cb 0.33 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 3ics n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ics s ALA 129 N -2.55 3.29 0.55 0.62 0.00 -1.13 -4.43 121.76 118.10 3ics s ALA 129 Ca 0.17 -2.85 0.27 0.00 0.00 0.00 0.00 51.96 49.56 3ics s ALA 129 Cb 0.18 -4.55 1.45 0.00 0.00 0.00 0.00 23.12 20.19 3ics s ALA 129 CO 0.61 -3.29 1.97 0.87 0.00 0.00 0.00 175.76 175.92 3ics h LYS 130 N 7.96 0.00 -0.58 0.00 1.57 -1.88 -2.07 116.57 121.57 3ics h LYS 130 Ca 0.38 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.90 3ics h LYS 130 Cb 0.90 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.06 3ics h LYS 130 CO 1.42 0.00 0.19 0.00 -0.57 0.00 0.00 179.45 180.49 3ics n ALA 131 N -2.58 4.56 -2.66 3.86 0.00 -1.26 -4.94 120.51 117.49 3ics n ALA 131 Ca 0.10 -2.86 -0.37 0.00 0.00 0.00 0.00 53.44 50.31 3ics n ALA 131 Cb 0.65 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 3ics n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ics s LEU 132 N -3.18 4.12 0.03 0.00 1.98 -0.78 -0.48 118.68 120.37 3ics s LEU 132 Ca 0.49 0.25 0.05 0.00 -2.89 0.00 0.00 54.13 52.03 3ics s LEU 132 Cb 0.42 -2.26 -0.02 0.00 0.66 0.00 0.00 46.19 45.00 3ics s LEU 132 CO 0.06 0.00 -0.15 -0.36 -1.89 0.00 0.00 176.35 174.01 3ics s PHE 133 N 1.22 1.32 0.29 5.38 0.40 -0.12 -4.98 117.98 121.49 3ics s PHE 133 Ca 0.12 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 3ics s PHE 133 Cb -0.14 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 3ics s PHE 133 CO 0.06 0.03 0.12 0.95 0.70 0.00 0.00 175.22 177.08 3ics s THR 134 N -0.70 3.57 -0.20 0.64 -4.23 -1.26 -1.37 115.64 112.09 3ics s THR 134 Ca 0.03 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3ics s THR 134 Cb -0.07 -3.05 0.04 0.00 1.34 0.00 0.00 72.50 70.76 3ics s THR 134 CO 0.01 -0.29 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.49 3ics s LEU 135 N -3.80 2.25 0.00 4.79 2.96 -1.26 -4.83 118.68 118.79 3ics s LEU 135 Ca 0.35 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3ics s LEU 135 Cb -0.06 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.44 3ics s LEU 135 CO 0.23 -0.16 0.00 -1.14 -1.32 0.00 0.00 176.35 173.95 3ics n ARG 136 N 4.70 0.00 -3.98 1.98 0.63 -1.26 -4.96 116.66 113.77 3ics n ARG 136 Ca -0.14 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.56 3ics n ARG 136 Cb 0.46 -0.23 -0.05 0.00 0.45 0.00 0.00 32.46 33.09 3ics n ARG 136 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3ics n ASN 137 N -2.23 2.27 0.01 6.15 0.23 -1.26 -4.88 115.26 115.56 3ics n ASN 137 Ca 0.00 -2.70 -0.12 0.00 -0.53 0.00 0.00 54.58 51.22 3ics n ASN 137 Cb 0.06 0.50 -0.08 0.00 -2.08 0.00 0.00 39.78 38.17 3ics n ASN 137 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3ics h VAL 138 N 1.34 1.20 -0.86 3.53 2.07 -1.99 -2.39 116.25 119.15 3ics h VAL 138 Ca -0.29 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 66.80 3ics h VAL 138 Cb 0.97 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 32.22 3ics h VAL 138 CO 0.48 0.16 0.43 -0.65 0.02 0.00 0.00 177.57 178.01 3ics h PRO 139 N -0.23 0.56 -0.63 1.57 0.11 -1.99 0.12 132.00 131.51 3ics h PRO 139 Ca 0.00 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.17 3ics h PRO 139 Cb 0.25 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 31.17 3ics h PRO 139 CO 0.00 0.37 0.28 -0.44 -0.21 0.00 0.00 178.00 178.00 3ics h ASP 140 N 0.58 0.34 -0.29 -2.05 3.32 -1.86 -0.91 116.42 115.55 3ics h ASP 140 Ca 0.49 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.57 3ics h ASP 140 Cb 0.74 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3ics h ASP 140 CO -0.40 0.20 0.06 0.74 -1.72 0.00 0.00 179.24 178.13 3ics h THR 141 N 0.50 1.22 -0.75 0.35 2.02 -0.59 -1.68 112.91 113.97 3ics h THR 141 Ca 0.31 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.77 3ics h THR 141 Cb 0.34 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3ics h THR 141 CO -0.27 0.24 0.49 0.44 0.37 0.00 0.00 175.52 176.79 3ics h ASP 142 N 0.29 0.84 -0.19 4.18 3.32 -0.53 -1.08 116.42 123.25 3ics h ASP 142 Ca 0.09 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3ics h ASP 142 Cb 0.30 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3ics h ASP 142 CO 0.00 0.60 0.09 0.03 -1.72 0.00 0.00 179.24 178.25 3ics h ARG 143 N 0.99 0.28 0.10 3.56 3.08 -1.06 0.16 114.38 121.50 3ics h ARG 143 Ca 0.28 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.30 3ics h ARG 143 Cb -0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3ics h ARG 143 CO -0.07 0.31 -0.13 0.82 -1.07 0.00 0.00 179.97 179.83 3ics h ILE 144 N 0.18 0.71 -0.80 2.04 2.04 -1.16 0.89 117.51 121.41 3ics h ILE 144 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3ics h ILE 144 Cb 0.12 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3ics h ILE 144 CO -0.01 0.00 0.43 0.50 0.00 0.00 0.00 178.15 179.08 3ics h LYS 145 N -0.27 1.12 -0.62 2.37 3.64 -1.13 -1.77 116.57 119.91 3ics h LYS 145 Ca 0.01 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3ics h LYS 145 Cb 0.27 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3ics h LYS 145 CO -0.05 0.82 0.22 0.00 -2.27 0.00 0.00 179.45 178.17 3ics h ALA 146 N 1.36 0.81 -0.34 5.00 0.00 -0.45 -1.62 119.26 124.01 3ics h ALA 146 Ca 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ics h ALA 146 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ics h ALA 146 CO -0.04 0.46 0.22 -0.92 0.00 0.00 0.00 179.25 178.96 3ics h TYR 147 N 0.88 0.41 -0.12 0.00 3.20 -0.33 0.03 116.97 121.05 3ics h TYR 147 Ca 0.20 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3ics h TYR 147 Cb 0.25 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3ics h TYR 147 CO 0.02 0.25 0.04 0.82 -1.64 0.00 0.00 178.16 177.65 3ics h ILE 148 N 0.45 0.97 -0.17 1.81 2.04 -1.18 0.22 117.51 121.65 3ics h ILE 148 Ca 0.13 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.96 3ics h ILE 148 Cb -0.03 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3ics h ILE 148 CO -0.04 0.02 0.09 0.44 0.00 0.00 0.00 178.15 178.66 3ics h ASP 149 N 0.09 0.15 -0.25 1.72 3.32 -1.10 0.02 116.42 120.37 3ics h ASP 149 Ca 0.05 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 3ics h ASP 149 Cb 0.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ics h ASP 149 CO -0.05 0.11 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.68 3ics h GLU 150 N 0.19 0.84 -0.00 3.56 3.07 -0.86 -3.36 114.58 118.02 3ics h GLU 150 Ca 0.07 -0.54 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3ics h GLU 150 Cb 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3ics h GLU 150 CO -0.04 1.18 -0.49 1.63 -1.40 0.00 0.00 179.01 179.90 3ics n LYS 151 N -4.00 2.40 -3.80 2.33 4.76 0.05 -5.04 118.16 114.87 3ics n LYS 151 Ca -0.04 -0.28 -0.26 0.00 -2.87 0.00 0.00 58.31 54.86 3ics n LYS 151 Cb 0.63 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 3ics n LYS 151 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3ics n LYS 152 N -0.88 -1.40 -1.94 1.97 5.02 -0.01 -4.84 118.16 116.09 3ics n LYS 152 Ca 0.04 0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 56.57 3ics n LYS 152 Cb 0.23 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.05 3ics n LYS 152 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ics s PRO 153 N -5.12 4.22 0.10 1.97 0.04 -1.26 -4.91 135.00 130.05 3ics s PRO 153 Ca 0.04 2.35 0.03 0.00 0.04 0.00 0.00 61.00 63.46 3ics s PRO 153 Cb -0.02 -3.17 -0.24 0.00 0.04 0.00 0.00 34.50 31.12 3ics s PRO 153 CO 0.88 -0.60 1.23 -0.09 0.04 0.00 0.00 177.00 178.46 3ics h ARG 154 N 6.83 0.10 -3.71 4.56 2.43 -1.94 -3.45 114.38 119.19 3ics h ARG 154 Ca -0.43 -0.16 -0.23 0.00 -0.81 0.00 0.00 59.98 58.35 3ics h ARG 154 Cb 1.20 0.06 -0.28 0.00 -0.42 0.00 0.00 29.97 30.53 3ics h ARG 154 CO 0.91 1.08 -0.71 -1.58 -1.51 0.00 0.00 179.97 178.16 3ics s HIS 155 N -2.69 -0.01 0.03 2.20 5.04 -1.26 -1.30 115.29 117.30 3ics s HIS 155 Ca -0.01 0.02 0.06 0.00 -1.54 0.00 0.00 55.06 53.60 3ics s HIS 155 Cb 0.09 -0.00 -0.02 0.00 0.04 0.00 0.00 32.58 32.69 3ics s HIS 155 CO 0.84 -0.01 -0.19 0.00 -2.34 0.00 0.00 174.74 173.05 3ics s ALA 156 N 0.03 1.57 -0.20 1.58 0.00 0.53 -1.10 121.76 124.17 3ics s ALA 156 Ca -0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 3ics s ALA 156 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3ics s ALA 156 CO -0.00 0.35 -0.03 0.99 0.00 0.00 0.00 175.76 177.07 3ics s THR 157 N -0.73 3.61 -0.23 0.00 2.01 -1.26 -1.83 115.64 117.21 3ics s THR 157 Ca 0.06 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 3ics s THR 157 Cb -0.08 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3ics s THR 157 CO 0.01 0.44 0.08 -0.69 -0.69 0.00 0.00 174.62 173.77 3ics s VAL 158 N 1.10 4.57 -0.38 3.82 1.01 -0.30 0.11 120.40 130.33 3ics s VAL 158 Ca 0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3ics s VAL 158 Cb -0.15 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3ics s VAL 158 CO 0.00 0.37 0.25 -0.63 0.00 0.00 0.00 175.10 175.09 3ics s ILE 159 N 1.17 4.93 0.00 2.22 1.01 0.57 -0.37 121.20 130.74 3ics s ILE 159 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3ics s ILE 159 Cb -0.14 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3ics s ILE 159 CO 0.04 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.36 3ics n GLY 160 N 5.08 1.89 2.23 6.18 0.00 -0.31 -0.08 105.19 120.17 3ics n GLY 160 Ca -0.12 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3ics n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ics n GLY 161 N 1.98 6.02 2.67 -0.02 0.00 -1.26 -4.22 105.19 110.37 3ics n GLY 161 Ca 0.00 -2.40 -0.19 0.00 0.00 0.00 0.00 46.02 43.43 3ics n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ics n GLY 162 N -0.86 -0.80 0.33 -0.02 0.00 -1.26 -4.52 105.19 98.06 3ics n GLY 162 Ca 0.57 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.94 3ics n GLY 162 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ics h PHE 163 N -1.25 0.90 -0.02 1.61 0.05 -1.95 -0.16 116.94 116.12 3ics h PHE 163 Ca -0.28 0.04 -0.13 0.00 3.82 0.00 0.00 57.97 61.42 3ics h PHE 163 Cb 0.83 -0.25 0.01 0.00 2.00 0.00 0.00 35.95 38.53 3ics h PHE 163 CO 0.00 0.10 -0.49 0.82 -0.18 0.00 0.00 178.31 178.55 3ics h ILE 164 N 0.59 1.44 -0.62 -0.55 2.04 -1.93 -2.66 117.51 115.83 3ics h ILE 164 Ca 0.58 -1.98 0.08 0.00 1.00 0.00 0.00 64.86 64.53 3ics h ILE 164 Cb 1.02 2.54 -0.06 0.00 -0.74 0.00 0.00 36.82 39.58 3ics h ILE 164 CO -0.45 0.57 0.29 1.23 0.00 0.00 0.00 178.15 179.79 3ics h GLY 165 N -0.15 0.89 1.04 5.37 0.00 -1.59 -2.82 103.07 105.81 3ics h GLY 165 Ca -0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3ics h GLY 165 CO 0.10 0.06 0.20 -2.08 0.00 0.00 0.00 176.54 174.82 3ics h VAL 166 N 0.52 1.26 0.00 4.60 2.07 -1.07 -0.10 116.25 123.53 3ics h VAL 166 Ca 0.30 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3ics h VAL 166 Cb 0.29 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3ics h VAL 166 CO -0.24 0.35 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 3ics n GLU 167 N -4.31 0.10 0.00 1.57 1.02 -1.00 -1.59 120.64 116.43 3ics n GLU 167 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3ics n GLU 167 Cb 0.23 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3ics n GLU 167 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ics n VAL 169 N 0.64 0.00 0.02 2.62 0.31 -0.05 -1.44 118.33 120.43 3ics n VAL 169 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3ics n VAL 169 Cb 0.03 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.90 3ics n VAL 169 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ics h GLU 170 N 0.00 0.04 0.00 5.55 4.81 -1.57 -0.88 114.58 122.53 3ics h GLU 170 Ca 0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3ics h GLU 170 Cb 0.00 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3ics h GLU 170 CO 0.00 0.03 -0.47 -0.91 -0.73 0.00 0.00 179.01 176.93 3ics h ASN 171 N 0.04 0.00 -0.02 1.04 2.35 -1.53 -0.94 115.58 116.51 3ics h ASN 171 Ca 0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 3ics h ASN 171 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3ics h ASN 171 CO -0.02 0.47 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.70 3ics h LEU 172 N 0.00 0.45 -0.44 1.61 3.38 -1.80 -3.14 115.31 115.37 3ics h LEU 172 Ca -0.00 -0.73 0.07 0.00 0.09 0.00 0.00 57.88 57.31 3ics h LEU 172 Cb 0.91 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3ics h LEU 172 CO 0.06 1.12 0.08 0.03 0.09 0.00 0.00 178.44 179.82 3ics h ARG 173 N -0.17 0.20 0.00 1.13 2.47 -0.91 -1.66 114.38 115.44 3ics h ARG 173 Ca -0.05 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3ics h ARG 173 Cb 1.17 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3ics h ARG 173 CO 0.09 0.14 0.00 0.39 0.56 0.00 0.00 179.97 181.15 3ics n GLU 174 N -5.11 0.01 0.00 0.04 -0.58 -0.38 -0.64 120.64 113.98 3ics n GLU 174 Ca 0.04 0.20 0.15 0.00 -0.42 0.00 0.00 57.16 57.13 3ics n GLU 174 Cb 0.21 -1.50 0.74 0.00 -0.57 0.00 0.00 31.44 30.32 3ics n GLU 174 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ics n ARG 175 N -1.50 1.31 -0.79 3.49 1.74 -0.66 -4.91 116.66 115.34 3ics n ARG 175 Ca 0.04 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 3ics n ARG 175 Cb 0.20 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3ics n ARG 175 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ics n GLY 176 N 1.09 0.58 3.72 -0.13 0.00 0.19 -5.05 105.19 105.59 3ics n GLY 176 Ca 0.21 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3ics n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ics s ILE 177 N -2.00 5.06 0.33 -0.61 1.01 -0.98 -4.99 121.20 119.01 3ics s ILE 177 Ca 0.00 1.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 3ics s ILE 177 Cb 0.00 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.39 3ics s ILE 177 CO 0.00 0.29 1.30 -1.61 0.00 0.00 0.00 174.94 174.93 3ics s GLU 178 N 0.62 4.36 -0.05 2.79 0.41 -0.42 -3.81 118.70 122.59 3ics s GLU 178 Ca 0.34 2.21 0.02 0.00 -0.41 0.00 0.00 54.97 57.13 3ics s GLU 178 Cb -0.17 -3.07 0.02 0.00 -1.78 0.00 0.00 34.13 29.12 3ics s GLU 178 CO 0.16 -0.18 -0.09 0.08 -0.49 0.00 0.00 175.26 174.74 3ics s VAL 179 N -1.12 0.89 -0.17 2.63 1.01 -1.26 -0.34 120.40 122.03 3ics s VAL 179 Ca 0.49 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3ics s VAL 179 Cb -0.40 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3ics s VAL 179 CO 0.52 0.30 -0.10 -0.89 0.00 0.00 0.00 175.10 174.94 3ics s THR 180 N 0.72 3.13 -0.23 3.92 2.01 -0.76 -1.30 115.64 123.13 3ics s THR 180 Ca -0.13 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 3ics s THR 180 Cb -0.15 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 3ics s THR 180 CO 0.02 0.48 0.17 -0.22 -0.69 0.00 0.00 174.62 174.38 3ics s LEU 181 N 0.90 4.14 -0.22 4.42 2.96 0.20 -1.15 118.68 129.94 3ics s LEU 181 Ca -0.02 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 3ics s LEU 181 Cb -0.15 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 3ics s LEU 181 CO 0.00 0.09 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.39 3ics s VAL 182 N 0.89 3.41 0.00 1.68 1.01 0.50 -0.43 120.40 127.46 3ics s VAL 182 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3ics s VAL 182 Cb -0.13 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3ics s VAL 182 CO 0.03 0.42 0.00 1.21 0.00 0.00 0.00 175.10 176.77 3ics n GLU 183 N 4.74 1.48 0.00 2.72 4.07 0.56 -1.16 120.64 133.05 3ics n GLU 183 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 3ics n GLU 183 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 3ics n GLU 183 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ics n ALA 185 N -3.00 -0.81 0.94 4.31 0.00 -1.26 -1.33 120.51 119.35 3ics n ALA 185 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3ics n ALA 185 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 3ics n ALA 185 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ics n ASN 186 N 0.00 1.77 -3.58 0.00 0.23 -1.26 -1.51 115.26 110.91 3ics n ASN 186 Ca 0.00 -2.08 -0.12 0.00 -0.53 0.00 0.00 54.58 51.85 3ics n ASN 186 Cb 0.00 -0.27 -0.05 0.00 -2.08 0.00 0.00 39.78 37.38 3ics n ASN 186 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ics s GLN 187 N -1.64 1.07 -0.55 -3.83 -2.07 -1.26 -4.94 119.66 106.44 3ics s GLN 187 Ca 0.19 -0.42 -0.28 0.00 -1.82 0.00 0.00 55.36 53.03 3ics s GLN 187 Cb 0.11 0.48 0.02 0.00 -1.09 0.00 0.00 33.01 32.53 3ics s GLN 187 CO 0.11 -0.41 1.36 0.14 -1.32 0.00 0.00 175.29 175.18 3ics s VAL 188 N -3.02 3.86 -0.12 3.63 -7.23 -1.26 -4.91 120.40 111.34 3ics s VAL 188 Ca -0.02 0.76 0.06 0.00 -1.81 0.00 0.00 61.98 60.97 3ics s VAL 188 Cb 0.00 -4.48 -0.11 0.00 0.56 0.00 0.00 36.38 32.34 3ics s VAL 188 CO -0.06 -1.16 -0.03 -2.65 -0.31 0.00 0.00 175.10 170.88 3ics n PRO 190 N 8.54 1.44 0.29 4.82 -0.02 -1.26 -4.85 135.00 143.96 3ics n PRO 190 Ca 0.12 0.03 0.15 0.00 -2.02 0.00 0.00 63.50 61.78 3ics n PRO 190 Cb 0.49 -1.27 0.88 0.00 -0.02 0.00 0.00 33.50 33.58 3ics n PRO 190 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ics h PRO 191 N 0.00 0.00 -6.23 0.52 0.11 -2.01 -3.43 132.00 120.97 3ics h PRO 191 Ca -0.30 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.36 3ics h PRO 191 Cb 1.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.68 3ics h PRO 191 CO -0.01 0.05 -0.41 0.96 -0.21 0.00 0.00 178.00 178.38 3ics s ILE 192 N -4.36 5.03 0.56 4.15 -4.36 -1.26 -4.61 121.20 116.35 3ics s ILE 192 Ca -0.04 -0.97 -0.06 0.00 -0.26 0.00 0.00 60.65 59.31 3ics s ILE 192 Cb 0.14 -3.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.06 3ics s ILE 192 CO 0.54 -0.31 0.88 -1.81 0.24 0.00 0.00 174.94 174.49 3ics s ASP 193 N -4.02 5.91 0.17 4.36 1.01 -1.26 -4.85 116.67 117.99 3ics s ASP 193 Ca 0.36 0.89 -0.16 0.00 0.71 0.00 0.00 52.55 54.35 3ics s ASP 193 Cb -0.09 -2.00 0.10 0.00 1.01 0.00 0.00 42.92 41.94 3ics s ASP 193 CO 0.30 -0.87 1.68 0.22 0.21 0.00 0.00 175.17 176.71 3ics h TYR 194 N -0.06 -0.13 0.00 4.23 3.20 -1.96 0.48 116.97 122.72 3ics h TYR 194 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3ics h TYR 194 Cb 1.23 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3ics h TYR 194 CO 0.54 -0.13 0.00 -0.85 -1.64 0.00 0.00 178.16 176.07 3ics n GLU 195 N -5.26 0.36 0.00 1.82 0.00 -1.26 -1.51 120.64 114.79 3ics n GLU 195 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 3ics n GLU 195 Cb 0.22 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.34 3ics n GLU 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ics n ALA 197 N 0.81 0.00 -0.32 -1.84 0.00 0.16 -3.95 120.51 115.36 3ics n ALA 197 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3ics n ALA 197 Cb 0.18 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.01 3ics n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ics h ALA 198 N 0.00 1.85 -0.42 0.00 0.00 -1.53 0.68 119.26 119.84 3ics h ALA 198 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3ics h ALA 198 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ics h ALA 198 CO 0.00 -0.19 0.06 1.88 0.00 0.00 0.00 179.25 181.00 3ics h TYR 199 N 0.66 0.75 -0.25 0.00 -1.99 -1.87 -2.54 116.97 111.73 3ics h TYR 199 Ca 0.54 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 61.16 3ics h TYR 199 Cb 0.98 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 3ics h TYR 199 CO -0.00 0.73 0.13 0.28 -0.00 0.00 0.00 178.16 179.29 3ics h VAL 200 N 0.55 1.14 -0.36 -2.88 2.07 -1.35 -2.50 116.25 112.91 3ics h VAL 200 Ca 0.13 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3ics h VAL 200 Cb 0.39 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3ics h VAL 200 CO 0.01 0.14 0.10 0.45 0.02 0.00 0.00 177.57 178.29 3ics h HIS 201 N 0.28 0.18 -0.33 1.57 3.86 -0.92 -2.32 115.15 117.47 3ics h HIS 201 Ca 0.09 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3ics h HIS 201 Cb 0.10 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3ics h HIS 201 CO -0.03 0.06 0.18 1.49 0.86 0.00 0.00 177.93 180.50 3ics h GLU 202 N 0.24 0.37 -0.76 2.45 4.81 -1.39 0.74 114.58 121.03 3ics h GLU 202 Ca 0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3ics h GLU 202 Cb 0.17 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3ics h GLU 202 CO -0.19 0.24 0.00 1.58 -0.73 0.00 0.00 179.01 179.91 3ics n HIS 203 N -4.92 0.00 0.00 0.92 -0.00 -0.87 -0.96 115.22 109.39 3ics n HIS 203 Ca -0.00 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.16 3ics n HIS 203 Cb 0.06 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 3ics n HIS 203 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3ics n LYS 205 N 0.63 0.00 0.27 1.57 5.02 0.25 -2.12 118.16 123.78 3ics n LYS 205 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3ics n LYS 205 Cb 0.04 0.00 0.75 0.00 -0.02 0.00 0.00 35.03 35.80 3ics n LYS 205 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3ics h ASN 206 N 0.00 0.00 -0.54 4.39 2.35 -1.29 -1.77 115.58 118.72 3ics h ASN 206 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3ics h ASN 206 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3ics h ASN 206 CO 0.00 0.08 0.02 1.41 -1.65 0.00 0.00 177.43 177.29 3ics n HIS 207 N -3.34 1.97 -2.17 1.19 8.25 -0.90 -4.95 115.22 115.27 3ics n HIS 207 Ca -0.01 -0.70 -0.14 0.00 -0.26 0.00 0.00 57.72 56.61 3ics n HIS 207 Cb 0.26 -0.50 -0.01 0.00 1.12 0.00 0.00 29.99 30.86 3ics n HIS 207 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ics n ASP 208 N 0.53 -4.33 -4.74 0.41 9.92 -0.66 -5.01 116.55 112.68 3ics n ASP 208 Ca 0.27 0.03 -0.40 0.00 -0.53 0.00 0.00 54.79 54.16 3ics n ASP 208 Cb 1.15 -3.45 -0.05 0.00 -0.64 0.00 0.00 41.12 38.13 3ics n ASP 208 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3ics s VAL 209 N -2.68 4.85 -0.23 2.53 1.01 -1.26 -4.61 120.40 120.01 3ics s VAL 209 Ca 0.00 1.53 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 3ics s VAL 209 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3ics s VAL 209 CO 0.00 0.34 0.93 -0.70 0.00 0.00 0.00 175.10 175.66 3ics s GLU 210 N 0.18 4.23 -0.20 2.72 2.12 -0.42 -4.27 118.70 123.06 3ics s GLU 210 Ca 0.37 1.14 -0.07 0.00 0.36 0.00 0.00 54.97 56.77 3ics s GLU 210 Cb -0.19 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 3ics s GLU 210 CO 0.21 -0.55 0.06 -0.51 -0.54 0.00 0.00 175.26 173.92 3ics s LEU 211 N 2.95 3.69 -0.23 2.70 1.43 -1.26 -0.63 118.68 127.33 3ics s LEU 211 Ca 0.39 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 3ics s LEU 211 Cb -0.15 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.17 3ics s LEU 211 CO 0.07 0.12 -0.12 -0.69 0.23 0.00 0.00 176.35 175.96 3ics s VAL 212 N 0.68 1.98 0.30 -1.59 1.01 0.43 -4.97 120.40 118.23 3ics s VAL 212 Ca 0.03 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 60.79 3ics s VAL 212 Cb -0.13 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3ics s VAL 212 CO 0.02 0.14 0.13 -0.36 0.00 0.00 0.00 175.10 175.02 3ics s PHE 213 N 1.23 2.81 -1.49 5.22 0.08 -1.26 -0.32 117.98 124.25 3ics s PHE 213 Ca -0.04 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 56.70 3ics s PHE 213 Cb -0.17 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 3ics s PHE 213 CO -0.08 0.45 0.50 0.39 -0.10 0.00 0.00 175.22 176.38 3ics n GLU 214 N -1.10 -3.20 -4.09 0.44 1.02 -0.45 -4.91 120.64 108.35 3ics n GLU 214 Ca -0.05 0.38 -0.11 0.00 -0.02 0.00 0.00 57.16 57.37 3ics n GLU 214 Cb 0.60 -4.64 -0.07 0.00 -0.02 0.00 0.00 31.44 27.31 3ics n GLU 214 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ics s ASP 215 N -4.09 0.05 0.25 1.62 -1.08 -0.88 -4.91 116.67 107.63 3ics s ASP 215 Ca 0.20 -1.16 -0.22 0.00 -0.52 0.00 0.00 52.55 50.85 3ics s ASP 215 Cb -0.11 0.49 0.03 0.00 -1.46 0.00 0.00 42.92 41.88 3ics s ASP 215 CO 0.90 -1.01 0.77 -0.83 0.52 0.00 0.00 175.17 175.53 3ics s GLY 216 N -3.09 -0.13 -0.35 2.66 0.00 -1.26 -4.36 107.32 100.79 3ics s GLY 216 Ca 0.30 -0.20 -0.22 0.00 0.00 0.00 0.00 44.72 44.60 3ics s GLY 216 CO 0.11 -0.07 0.71 0.14 0.00 0.00 0.00 173.10 173.99 3ics s VAL 217 N -3.78 4.82 0.03 1.40 1.01 -1.26 -0.53 120.40 122.09 3ics s VAL 217 Ca 0.11 0.79 0.10 0.00 0.00 0.00 0.00 61.98 62.98 3ics s VAL 217 Cb -0.05 -4.13 -0.18 0.00 0.00 0.00 0.00 36.38 32.03 3ics s VAL 217 CO 0.06 -0.34 1.11 0.44 0.00 0.00 0.00 175.10 176.37 3ics h ASP 218 N 8.40 0.00 -4.36 3.32 3.32 -0.77 -3.47 116.42 122.87 3ics h ASP 218 Ca -0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 3ics h ASP 218 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 3ics h ASP 218 CO 0.87 0.91 0.26 0.00 -1.72 0.00 0.00 179.24 179.55 3ics s ALA 219 N -2.73 -1.82 -0.21 3.45 0.00 -0.96 -4.14 121.76 115.35 3ics s ALA 219 Ca -0.00 1.64 -0.04 0.00 0.00 0.00 0.00 51.96 53.55 3ics s ALA 219 Cb 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3ics s ALA 219 CO 0.81 -0.34 -0.04 -0.51 0.00 0.00 0.00 175.76 175.69 3ics s LEU 220 N -0.55 2.99 0.31 0.00 1.43 -0.02 -0.77 118.68 122.07 3ics s LEU 220 Ca -0.05 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3ics s LEU 220 Cb -0.02 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 3ics s LEU 220 CO 0.04 0.02 -0.15 -1.61 0.23 0.00 0.00 176.35 174.88 3ics s GLU 221 N 1.23 1.74 -1.42 1.70 2.02 0.12 -4.33 118.70 119.77 3ics s GLU 221 Ca 0.03 -1.85 -0.08 0.00 0.02 0.00 0.00 54.97 53.09 3ics s GLU 221 Cb -0.14 -1.73 0.04 0.00 0.10 0.00 0.00 34.13 32.40 3ics s GLU 221 CO -0.01 0.24 0.95 0.39 0.02 0.00 0.00 175.26 176.85 3ics n GLU 222 N -0.70 -5.90 -3.04 1.61 -0.58 -1.26 -0.48 120.64 110.29 3ics n GLU 222 Ca -0.05 0.66 -0.19 0.00 -0.42 0.00 0.00 57.16 57.16 3ics n GLU 222 Cb 0.62 -5.51 0.04 0.00 -0.57 0.00 0.00 31.44 26.02 3ics n GLU 222 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ics n ASN 223 N -2.95 -5.52 0.00 1.62 3.02 -1.26 -2.78 115.26 107.39 3ics n ASN 223 Ca -0.08 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 3ics n ASN 223 Cb 0.58 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 3ics n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ics n GLY 224 N -1.51 1.10 0.23 7.41 0.00 -0.81 -3.41 105.19 108.20 3ics n GLY 224 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3ics n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ics h ALA 225 N 0.00 1.00 -3.12 4.61 0.00 -1.27 -3.41 119.26 117.07 3ics h ALA 225 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3ics h ALA 225 Cb 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.48 3ics h ALA 225 CO 0.00 0.00 -0.77 0.08 0.00 0.00 0.00 179.25 178.56 3ics s VAL 226 N -3.40 2.78 -0.34 0.00 1.01 0.37 -1.17 120.40 119.64 3ics s VAL 226 Ca 0.05 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3ics s VAL 226 Cb 0.08 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3ics s VAL 226 CO 0.58 0.38 0.19 -0.69 0.00 0.00 0.00 175.10 175.57 3ics s VAL 227 N 1.36 4.70 -0.38 2.92 1.01 0.89 0.15 120.40 131.05 3ics s VAL 227 Ca 0.04 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 3ics s VAL 227 Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.74 3ics s VAL 227 CO -0.07 -0.08 0.51 -0.13 0.00 0.00 0.00 175.10 175.33 3ics s ARG 228 N 1.61 3.44 0.40 2.72 1.81 0.05 -1.01 118.95 127.96 3ics s ARG 228 Ca 0.04 -0.35 -0.09 0.00 -1.72 0.00 0.00 55.73 53.60 3ics s ARG 228 Cb -0.18 -3.87 -0.06 0.00 -0.45 0.00 0.00 34.95 30.39 3ics s ARG 228 CO 0.07 -0.75 0.74 -0.51 -0.68 0.00 0.00 175.30 174.17 3ics s LEU 229 N 2.39 3.84 0.51 2.53 1.43 -0.63 -0.08 118.68 128.67 3ics s LEU 229 Ca 0.17 1.06 0.21 0.00 -1.03 0.00 0.00 54.13 54.55 3ics s LEU 229 Cb -0.16 -3.94 1.36 0.00 0.03 0.00 0.00 46.19 43.48 3ics s LEU 229 CO 0.14 -0.39 2.11 0.11 0.23 0.00 0.00 176.35 178.55 3ics h LYS 230 N 1.21 0.00 0.00 1.70 1.57 -1.12 -1.71 116.57 118.22 3ics h LYS 230 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3ics h LYS 230 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3ics h LYS 230 CO 0.64 0.09 0.00 0.66 -0.57 0.00 0.00 179.45 180.27 3ics h SER 231 N 0.00 0.00 0.00 0.86 4.64 -1.91 -3.47 113.55 113.67 3ics h SER 231 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ics h SER 231 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3ics h SER 231 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3ics n GLY 232 N 0.63 2.50 3.74 -0.77 0.00 -0.64 -5.08 105.19 105.58 3ics n GLY 232 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3ics n GLY 232 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ics s SER 233 N -0.75 5.00 -0.11 1.61 0.01 -1.26 -4.74 113.70 113.45 3ics s SER 233 Ca 0.00 2.54 0.03 0.00 1.31 0.00 0.00 55.95 59.82 3ics s SER 233 Cb 0.00 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3ics s SER 233 CO 0.00 -1.74 -0.20 -0.69 0.41 0.00 0.00 173.24 171.03 3ics s VAL 234 N -1.47 1.83 -0.19 3.43 1.01 -1.26 -1.60 120.40 122.16 3ics s VAL 234 Ca 0.78 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 3ics s VAL 234 Cb -0.35 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3ics s VAL 234 CO 0.38 0.51 -0.02 -0.63 0.00 0.00 0.00 175.10 175.34 3ics s ILE 235 N 0.71 3.89 -0.11 2.22 1.01 -0.18 -4.96 121.20 123.78 3ics s ILE 235 Ca -0.11 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 3ics s ILE 235 Cb -0.16 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3ics s ILE 235 CO 0.02 0.45 0.47 -1.10 0.00 0.00 0.00 174.94 174.78 3ics s GLN 236 N 0.81 4.31 0.10 2.79 1.11 -1.26 -0.08 119.66 127.44 3ics s GLN 236 Ca -0.00 0.44 -0.11 0.00 0.01 0.00 0.00 55.36 55.69 3ics s GLN 236 Cb -0.14 -3.42 0.01 0.00 -1.01 0.00 0.00 33.01 28.45 3ics s GLN 236 CO 0.02 0.21 0.27 -0.08 0.01 0.00 0.00 175.29 175.72 3ics s THR 237 N 0.46 0.11 -0.91 -0.19 -1.32 -0.32 -4.95 115.64 108.51 3ics s THR 237 Ca 0.25 -0.96 0.10 0.00 -1.21 0.00 0.00 61.69 59.88 3ics s THR 237 Cb -0.15 -1.28 0.24 0.00 -1.51 0.00 0.00 72.50 69.80 3ics s THR 237 CO 0.10 -0.52 1.16 0.47 -2.21 0.00 0.00 174.62 173.63 3ics n ASP 238 N -0.13 2.67 -3.73 8.08 8.00 -0.25 -4.38 116.55 126.81 3ics n ASP 238 Ca -0.15 -1.90 -0.12 0.00 0.71 0.00 0.00 54.79 53.32 3ics n ASP 238 Cb 0.63 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.45 3ics n ASP 238 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ics s LEU 240 N -0.97 0.44 -0.19 0.64 1.02 0.37 -4.86 118.68 115.13 3ics s LEU 240 Ca 0.19 0.76 -0.03 0.00 0.02 0.00 0.00 54.13 55.08 3ics s LEU 240 Cb 0.11 1.25 -0.01 0.00 0.02 0.00 0.00 46.19 47.56 3ics s LEU 240 CO 0.14 -0.14 -0.07 -0.63 0.02 0.00 0.00 176.35 175.66 3ics s ILE 241 N 0.50 3.24 -0.34 -0.59 -1.09 0.12 -0.95 121.20 122.09 3ics s ILE 241 Ca -0.02 -0.55 -0.13 0.00 -2.23 0.00 0.00 60.65 57.71 3ics s ILE 241 Cb -0.04 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.38 3ics s ILE 241 CO -0.03 0.46 0.26 -0.22 -1.23 0.00 0.00 174.94 174.19 3ics s LEU 242 N 1.12 4.52 -0.40 2.97 2.96 -0.47 -0.32 118.68 129.06 3ics s LEU 242 Ca 0.01 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 3ics s LEU 242 Cb -0.15 -2.17 0.28 0.00 0.50 0.00 0.00 46.19 44.65 3ics s LEU 242 CO -0.02 -0.26 0.61 0.00 -1.32 0.00 0.00 176.35 175.36 3ics n ALA 243 N 5.16 2.46 -0.93 5.97 0.00 0.88 -4.53 120.51 129.51 3ics n ALA 243 Ca -0.12 -3.51 0.08 0.00 0.00 0.00 0.00 53.44 49.89 3ics n ALA 243 Cb 0.50 -0.85 0.33 0.00 0.00 0.00 0.00 19.45 19.43 3ics n ALA 243 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ics n ILE 244 N 1.00 2.48 0.00 0.00 -5.35 -1.24 -4.23 119.36 112.03 3ics n ILE 244 Ca 0.23 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 3ics n ILE 244 Cb 0.56 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 3ics n ILE 244 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ics n GLY 245 N 0.09 1.58 3.27 3.28 0.00 -1.26 -4.83 105.19 107.32 3ics n GLY 245 Ca 0.24 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 3ics n GLY 245 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ics s VAL 246 N -1.45 1.52 0.08 1.61 -7.23 -1.26 -0.84 120.40 112.83 3ics s VAL 246 Ca 0.00 -1.77 0.09 0.00 -1.81 0.00 0.00 61.98 58.49 3ics s VAL 246 Cb 0.00 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 3ics s VAL 246 CO 0.00 -0.35 -0.24 0.00 -0.31 0.00 0.00 175.10 174.20 3ics s GLN 247 N -2.64 1.45 0.42 4.82 -2.07 0.36 -4.85 119.66 117.14 3ics s GLN 247 Ca 0.11 -1.14 -0.26 0.00 -1.82 0.00 0.00 55.36 52.24 3ics s GLN 247 Cb -0.06 -1.71 -0.09 0.00 -1.09 0.00 0.00 33.01 30.06 3ics s GLN 247 CO 0.04 0.42 1.45 -1.25 -1.32 0.00 0.00 175.29 174.63 3ics s PRO 248 N -1.58 3.87 -1.33 9.60 0.04 -1.26 -0.94 135.00 143.40 3ics s PRO 248 Ca 0.10 2.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 3ics s PRO 248 Cb -0.10 -2.79 0.12 0.00 0.04 0.00 0.00 34.50 31.77 3ics s PRO 248 CO 0.03 -0.69 1.90 0.39 0.04 0.00 0.00 177.00 178.68 3ics n GLU 249 N 0.09 3.30 -0.25 4.56 -0.58 -0.38 -4.72 120.64 122.66 3ics n GLU 249 Ca 0.03 -3.26 0.09 0.00 -0.42 0.00 0.00 57.16 53.60 3ics n GLU 249 Cb 0.41 -3.12 0.22 0.00 -0.57 0.00 0.00 31.44 28.38 3ics n GLU 249 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3ics n SER 250 N 5.33 3.37 -0.20 1.62 3.41 -1.26 -4.61 113.62 121.28 3ics n SER 250 Ca 0.44 -1.96 0.07 0.00 -0.26 0.00 0.00 58.87 57.16 3ics n SER 250 Cb 0.39 -0.32 0.35 0.00 -0.26 0.00 0.00 64.21 64.37 3ics n SER 250 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ics h SER 251 N 3.36 0.67 -0.66 4.04 4.64 -1.92 0.16 113.55 123.83 3ics h SER 251 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3ics h SER 251 Cb 0.86 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 3ics h SER 251 CO 0.00 0.42 0.39 -0.07 -0.87 0.00 0.00 176.83 176.70 3ics h LEU 252 N 0.76 0.80 -0.08 5.97 4.07 -1.94 0.18 115.31 125.06 3ics h LEU 252 Ca 0.33 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.18 3ics h LEU 252 Cb 0.31 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 3ics h LEU 252 CO -0.12 0.63 -0.13 0.00 -1.08 0.00 0.00 178.44 177.75 3ics h ALA 253 N 1.20 0.13 -0.57 1.53 0.00 -1.48 -2.16 119.26 117.91 3ics h ALA 253 Ca 0.24 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ics h ALA 253 Cb -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3ics h ALA 253 CO -0.04 0.00 0.22 -0.22 0.00 0.00 0.00 179.25 179.21 3ics h LYS 254 N -0.22 0.40 0.00 0.00 3.64 -0.69 -0.55 116.57 119.15 3ics h LYS 254 Ca 0.01 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3ics h LYS 254 Cb 0.68 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3ics h LYS 254 CO 0.03 0.26 -0.25 0.78 -2.27 0.00 0.00 179.45 178.00 3ics h GLY 255 N 0.41 0.00 -0.85 5.01 0.00 -0.58 -2.08 103.07 104.97 3ics h GLY 255 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3ics h GLY 255 CO -0.27 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.27 3ics n ALA 256 N -2.38 2.53 -1.82 3.60 0.00 -0.82 -4.94 120.51 116.67 3ics n ALA 256 Ca -0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 3ics n ALA 256 Cb 0.33 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 3ics n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ics n GLY 257 N 1.18 0.34 3.81 0.00 0.00 -0.78 -4.92 105.19 104.81 3ics n GLY 257 Ca 0.17 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3ics n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ics s LEU 258 N -1.34 4.16 0.27 0.99 1.43 -0.27 -5.01 118.68 118.90 3ics s LEU 258 Ca 0.00 1.68 -0.31 0.00 -1.03 0.00 0.00 54.13 54.48 3ics s LEU 258 Cb 0.00 -4.19 -0.12 0.00 0.03 0.00 0.00 46.19 41.91 3ics s LEU 258 CO 0.00 -0.19 1.54 0.00 0.23 0.00 0.00 176.35 177.93 3ics n ALA 259 N 0.01 2.08 -2.71 4.21 0.00 -1.26 -4.56 120.51 118.27 3ics n ALA 259 Ca 0.04 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.62 3ics n ALA 259 Cb 0.52 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 3ics n ALA 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ics s LEU 260 N -0.20 3.46 0.00 0.00 1.43 -1.26 -1.86 118.68 120.25 3ics s LEU 260 Ca 0.66 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3ics s LEU 260 Cb -0.55 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3ics s LEU 260 CO 0.48 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.70 3ics n GLY 261 N -0.65 5.77 3.74 -3.19 0.00 0.13 -4.68 105.19 106.30 3ics n GLY 261 Ca -0.08 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3ics n GLY 261 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ics n VAL 262 N 0.00 2.22 -1.61 1.61 0.24 -1.26 -2.32 118.33 117.21 3ics n VAL 262 Ca 0.00 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.34 61.61 3ics n VAL 262 Cb 0.00 -1.79 -0.08 0.00 -1.47 0.00 0.00 33.84 30.50 3ics n VAL 262 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3ics n ARG 263 N 0.30 -1.44 -0.97 7.34 1.74 -1.26 -1.59 116.66 120.78 3ics n ARG 263 Ca 0.04 1.12 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 3ics n ARG 263 Cb 0.39 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.34 3ics n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ics n GLY 264 N -0.39 0.43 3.74 -0.13 0.00 -0.98 -4.50 105.19 103.35 3ics n GLY 264 Ca -0.19 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3ics n GLY 264 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ics s THR 265 N -2.00 2.79 -0.19 2.61 -4.23 -0.62 -4.64 115.64 109.36 3ics s THR 265 Ca 0.00 0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 3ics s THR 265 Cb 0.00 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 3ics s THR 265 CO 0.00 -0.29 1.37 -0.63 -0.54 0.00 0.00 174.62 174.53 3ics s ILE 266 N -2.54 4.07 0.09 2.99 1.01 0.63 0.18 121.20 127.63 3ics s ILE 266 Ca 0.66 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 62.28 3ics s ILE 266 Cb -0.22 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 3ics s ILE 266 CO 0.51 -0.22 1.16 -0.75 0.00 0.00 0.00 174.94 175.64 3ics s LYS 267 N 3.89 4.48 0.11 2.79 2.20 -0.78 -1.81 119.74 130.61 3ics s LYS 267 Ca 0.60 1.74 0.03 0.00 -0.36 0.00 0.00 55.97 57.97 3ics s LYS 267 Cb -0.23 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 3ics s LYS 267 CO 0.21 -0.17 -0.08 0.14 -0.36 0.00 0.00 175.35 175.09 3ics s VAL 268 N 0.74 0.83 0.03 4.02 -7.23 -1.26 -4.35 120.40 113.17 3ics s VAL 268 Ca 0.56 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3ics s VAL 268 Cb -0.29 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.01 3ics s VAL 268 CO 0.31 -0.79 0.05 -0.46 -0.31 0.00 0.00 175.10 173.89 3ics n ASN 269 N 0.04 0.04 0.23 4.85 0.23 -0.20 -4.88 115.26 115.56 3ics n ASN 269 Ca -0.12 -1.04 0.16 0.00 -0.53 0.00 0.00 54.58 53.05 3ics n ASN 269 Cb 0.60 -0.03 0.68 0.00 -2.08 0.00 0.00 39.78 38.95 3ics n ASN 269 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3ics h GLU 270 N 0.00 0.00 -0.52 -3.83 3.07 -1.92 -0.32 114.58 111.07 3ics h GLU 270 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3ics h GLU 270 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3ics h GLU 270 CO 0.01 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.25 3ics n LYS 271 N -2.74 3.25 -1.34 2.33 5.02 -1.26 -2.68 118.16 120.74 3ics n LYS 271 Ca 0.01 -2.63 -0.10 0.00 -2.02 0.00 0.00 58.31 53.56 3ics n LYS 271 Cb 0.23 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.52 3ics n LYS 271 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ics n PHE 272 N 0.78 -0.02 -3.00 2.13 3.01 -0.13 -4.94 117.46 115.29 3ics n PHE 272 Ca 0.21 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.27 3ics n PHE 272 Cb 0.73 -1.99 -0.05 0.00 -0.01 0.00 0.00 39.48 38.16 3ics n PHE 272 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3ics s GLN 273 N -2.94 4.48 0.31 -1.08 0.74 -1.26 -1.18 119.66 118.72 3ics s GLN 273 Ca 0.00 1.02 -0.05 0.00 0.05 0.00 0.00 55.36 56.38 3ics s GLN 273 Cb 0.00 -3.37 0.07 0.00 1.10 0.00 0.00 33.01 30.81 3ics s GLN 273 CO 0.00 0.26 0.32 0.25 -0.55 0.00 0.00 175.29 175.57 3ics n THR 274 N 2.91 0.00 0.43 -0.34 -2.24 -0.52 -1.03 114.28 113.49 3ics n THR 274 Ca -0.03 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.63 3ics n THR 274 Cb 0.50 -1.35 0.26 0.00 -2.10 0.00 0.00 70.33 67.65 3ics n THR 274 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ics n SER 275 N -3.41 0.00 -4.62 3.42 3.41 -1.26 -4.47 113.62 106.70 3ics n SER 275 Ca 0.04 0.45 -0.36 0.00 -0.26 0.00 0.00 58.87 58.74 3ics n SER 275 Cb 0.16 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 3ics n SER 275 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ics s ASP 276 N -2.94 5.81 0.46 4.04 2.15 -1.26 -5.01 116.67 119.92 3ics s ASP 276 Ca 0.06 0.05 0.32 0.00 0.43 0.00 0.00 52.55 53.41 3ics s ASP 276 Cb 0.08 -2.03 1.56 0.00 -0.30 0.00 0.00 42.92 42.23 3ics s ASP 276 CO 0.21 0.08 1.96 1.55 -0.17 0.00 0.00 175.17 178.80 3ics h PRO 277 N 7.38 0.00 -0.37 4.34 0.13 -1.98 -2.43 132.00 139.06 3ics h PRO 277 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3ics h PRO 277 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ics h PRO 277 CO 0.66 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.15 3ics n HIS 278 N -2.68 0.49 -4.67 1.56 8.25 -1.26 -4.90 115.22 112.01 3ics n HIS 278 Ca -0.01 -0.39 -0.33 0.00 -0.26 0.00 0.00 57.72 56.73 3ics n HIS 278 Cb 0.14 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.08 3ics n HIS 278 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ics s ILE 279 N -1.05 2.34 0.30 1.59 1.01 -0.92 -0.64 121.20 123.83 3ics s ILE 279 Ca 0.28 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 60.15 3ics s ILE 279 Cb 0.15 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 3ics s ILE 279 CO 0.21 0.54 -0.05 -0.31 0.00 0.00 0.00 174.94 175.32 3ics s TYR 280 N 0.76 2.53 -0.16 3.97 1.51 0.13 -1.43 117.35 124.65 3ics s TYR 280 Ca -0.08 -0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 55.52 3ics s TYR 280 Cb -0.16 -1.24 0.04 0.00 -0.11 0.00 0.00 41.96 40.50 3ics s TYR 280 CO 0.00 0.60 0.41 0.00 -1.11 0.00 0.00 175.55 175.45 3ics s ALA 281 N -2.44 -1.03 0.23 3.71 0.00 -0.32 -0.35 121.76 121.55 3ics s ALA 281 Ca 0.32 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3ics s ALA 281 Cb -0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3ics s ALA 281 CO 0.18 -0.21 0.16 0.96 0.00 0.00 0.00 175.76 176.85 3ics s ILE 282 N 0.44 0.03 0.00 0.00 -4.36 -0.25 -4.78 121.20 112.28 3ics s ILE 282 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 3ics s ILE 282 Cb -0.04 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3ics s ILE 282 CO -0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.77 3ics n GLY 283 N -0.36 -1.75 0.32 6.27 0.00 -1.26 -4.30 105.19 104.11 3ics n GLY 283 Ca 0.03 -1.71 0.16 0.00 0.00 0.00 0.00 46.02 44.50 3ics n GLY 283 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ics h ASP 284 N 0.00 0.00 0.96 1.61 3.32 -1.88 -2.59 116.42 117.84 3ics h ASP 284 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ics h ASP 284 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ics h ASP 284 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3ics h ALA 285 N 1.84 1.00 -2.56 3.45 0.00 -1.75 -3.43 119.26 117.81 3ics h ALA 285 Ca 0.06 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.43 3ics h ALA 285 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ics h ALA 285 CO -0.00 0.00 -0.48 0.96 0.00 0.00 0.00 179.25 179.72 3ics s ILE 286 N -3.31 5.14 0.14 0.00 -4.36 -0.98 -0.27 121.20 117.56 3ics s ILE 286 Ca 0.05 -0.80 -0.29 0.00 -0.26 0.00 0.00 60.65 59.35 3ics s ILE 286 Cb 0.10 -3.65 -0.07 0.00 1.25 0.00 0.00 42.46 40.09 3ics s ILE 286 CO 0.46 -0.11 0.94 -0.70 0.24 0.00 0.00 174.94 175.76 3ics s GLU 287 N -3.27 4.71 0.25 0.37 2.12 -0.75 -4.72 118.70 117.42 3ics s GLU 287 Ca 0.34 1.42 0.09 0.00 0.36 0.00 0.00 54.97 57.18 3ics s GLU 287 Cb -0.11 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 3ics s GLU 287 CO 0.27 0.30 -0.15 0.14 -0.54 0.00 0.00 175.26 175.28 3ics s VAL 288 N -0.30 2.04 -0.03 3.70 -7.23 -0.63 -4.54 120.40 113.42 3ics s VAL 288 Ca 0.45 -2.28 -0.14 0.00 -1.81 0.00 0.00 61.98 58.20 3ics s VAL 288 Cb -0.24 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 3ics s VAL 288 CO 0.30 -0.47 0.37 -0.54 -0.31 0.00 0.00 175.10 174.45 3ics s LYS 289 N -3.60 3.90 0.44 4.82 1.02 -1.26 -0.59 119.74 124.46 3ics s LYS 289 Ca 0.27 0.33 -0.24 0.00 0.02 0.00 0.00 55.97 56.35 3ics s LYS 289 Cb -0.02 -3.24 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 3ics s LYS 289 CO 0.11 0.65 1.15 0.16 -0.92 0.00 0.00 175.35 176.51 3ics s ASP 290 N -0.91 6.32 0.22 2.83 1.47 -0.28 -1.27 116.67 125.06 3ics s ASP 290 Ca 0.22 2.29 -0.07 0.00 1.18 0.00 0.00 52.55 56.17 3ics s ASP 290 Cb -0.16 -2.60 0.19 0.00 -0.34 0.00 0.00 42.92 40.01 3ics s ASP 290 CO 0.12 -0.81 1.83 0.15 0.68 0.00 0.00 175.17 177.14 3ics h PHE 291 N 2.25 1.22 0.03 2.11 3.57 -1.10 -0.44 116.94 124.57 3ics h PHE 291 Ca -0.49 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 60.96 3ics h PHE 291 Cb 1.24 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3ics h PHE 291 CO 0.54 0.87 -0.01 0.28 -2.23 0.00 0.00 178.31 177.76 3ics h VAL 292 N 1.22 1.37 -0.00 1.41 2.07 -1.91 -3.37 116.25 117.04 3ics h VAL 292 Ca 0.30 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3ics h VAL 292 Cb 0.09 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3ics h VAL 292 CO -0.04 0.33 -0.09 0.35 0.02 0.00 0.00 177.57 178.14 3ics n THR 293 N -4.83 0.00 -3.15 2.57 -2.24 -1.25 -5.00 114.28 100.38 3ics n THR 293 Ca -0.09 -0.46 -0.23 0.00 -2.27 0.00 0.00 64.05 61.01 3ics n THR 293 Cb 0.29 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.63 3ics n THR 293 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ics n GLU 294 N -0.17 -5.14 -3.29 -0.78 1.02 -0.18 -4.98 120.64 107.14 3ics n GLU 294 Ca 0.03 0.85 -0.39 0.00 -0.02 0.00 0.00 57.16 57.63 3ics n GLU 294 Cb 0.13 -5.72 -0.06 0.00 -0.02 0.00 0.00 31.44 25.77 3ics n GLU 294 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ics s THR 295 N -3.18 4.89 0.17 2.62 2.01 -1.26 -4.70 115.64 116.19 3ics s THR 295 Ca 0.36 1.15 -0.32 0.00 0.31 0.00 0.00 61.69 63.19 3ics s THR 295 Cb -0.16 -3.87 -0.11 0.00 0.01 0.00 0.00 72.50 68.37 3ics s THR 295 CO 0.44 0.49 1.69 -1.61 -0.69 0.00 0.00 174.62 174.94 3ics s GLU 296 N -0.61 4.16 0.00 4.92 8.01 -1.26 -1.12 118.70 132.80 3ics s GLU 296 Ca 0.29 2.50 0.00 0.00 0.01 0.00 0.00 54.97 57.77 3ics s GLU 296 Cb -0.18 -3.24 0.00 0.00 -4.31 0.00 0.00 34.13 26.39 3ics s GLU 296 CO 0.17 -0.72 0.00 -2.37 0.01 0.00 0.00 175.26 172.35 3ics n THR 297 N 4.19 0.00 0.00 3.63 5.66 0.24 -4.93 114.28 123.07 3ics n THR 297 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 3ics n THR 297 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 3ics n THR 297 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3ics n ILE 299 N 0.00 0.00 -2.60 1.09 5.41 -1.26 -1.60 119.36 120.40 3ics n ILE 299 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 3ics n ILE 299 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 3ics n ILE 299 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3ics s PRO 300 N 0.00 3.83 0.10 0.38 0.04 -1.26 -4.85 135.00 133.23 3ics s PRO 300 Ca 0.00 -1.68 0.03 0.00 0.04 0.00 0.00 61.00 59.39 3ics s PRO 300 Cb 0.00 -5.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.07 3ics s PRO 300 CO 0.00 -2.21 -0.09 -0.51 0.04 0.00 0.00 177.00 174.23 3ics s LEU 301 N 4.36 2.42 0.11 -3.56 1.43 -1.26 -5.02 118.68 117.16 3ics s LEU 301 Ca 0.50 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3ics s LEU 301 Cb 0.02 -0.27 -0.15 0.00 0.03 0.00 0.00 46.19 45.82 3ics s LEU 301 CO 0.00 -0.29 1.25 0.00 0.23 0.00 0.00 176.35 177.54 3ics h ALA 302 N 3.48 0.27 0.19 4.21 0.00 -1.97 -2.87 119.26 122.58 3ics h ALA 302 Ca -0.37 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 53.78 3ics h ALA 302 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ics h ALA 302 CO 0.55 0.84 -0.09 2.35 0.00 0.00 0.00 179.25 182.90 3ics h TRP 303 N 0.19 -0.24 -0.52 0.00 7.01 -1.98 0.10 115.95 120.52 3ics h TRP 303 Ca -0.10 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 60.96 3ics h TRP 303 Cb 1.70 0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 28.78 3ics h TRP 303 CO 0.06 -0.14 0.21 -1.35 -2.79 0.00 0.00 178.44 174.44 3ics h PRO 304 N -0.27 0.40 -0.55 2.65 0.11 -1.94 0.16 132.00 132.56 3ics h PRO 304 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3ics h PRO 304 Cb 0.21 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 3ics h PRO 304 CO 0.04 0.26 0.33 0.00 -0.21 0.00 0.00 178.00 178.43 3ics h ALA 305 N 1.33 0.70 -0.66 -0.75 0.00 -1.25 0.52 119.26 119.15 3ics h ALA 305 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3ics h ALA 305 Cb 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ics h ALA 305 CO -0.23 0.18 0.16 -0.91 0.00 0.00 0.00 179.25 178.45 3ics h ASN 306 N 0.74 1.00 -0.21 0.00 2.35 -0.73 -2.37 115.58 116.36 3ics h ASN 306 Ca 0.20 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3ics h ASN 306 Cb -0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3ics h ASN 306 CO -0.04 0.97 -0.11 -0.09 -1.65 0.00 0.00 177.43 176.52 3ics h ARG 307 N 0.98 0.44 -0.84 0.81 9.65 -0.02 -2.75 114.38 122.64 3ics h ARG 307 Ca 0.21 -0.20 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 3ics h ARG 307 Cb 0.36 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.88 3ics h ARG 307 CO 0.00 0.73 0.52 1.96 2.80 0.00 0.00 179.97 185.98 3ics h GLN 308 N 0.14 0.94 -0.47 0.20 4.20 0.06 -2.75 115.11 117.43 3ics h GLN 308 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3ics h GLN 308 Cb 0.61 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3ics h GLN 308 CO 0.03 0.62 0.27 0.78 -0.67 0.00 0.00 178.83 179.86 3ics h GLY 309 N 0.96 0.68 -1.21 3.46 0.00 -1.37 0.11 103.07 105.71 3ics h GLY 309 Ca 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ics h GLY 309 CO -0.16 0.28 0.00 -2.13 0.00 0.00 0.00 176.54 174.53 3ics n ARG 310 N -4.70 0.23 0.00 4.80 0.00 -1.04 -1.98 116.66 113.97 3ics n ARG 310 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3ics n ARG 310 Cb 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.35 3ics n ARG 310 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3ics n LEU 312 N 0.49 0.00 -0.23 6.15 7.94 0.39 -2.34 117.00 129.40 3ics n LEU 312 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3ics n LEU 312 Cb 0.07 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.07 3ics n LEU 312 CO 0.00 0.00 1.12 0.00 -1.11 0.00 0.00 177.39 177.40 3ics h ALA 313 N 0.00 0.83 -0.44 1.96 0.00 -1.64 -1.78 119.26 118.19 3ics h ALA 313 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ics h ALA 313 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3ics h ALA 313 CO 0.00 0.29 0.04 -0.44 0.00 0.00 0.00 179.25 179.15 3ics h ASP 314 N 0.88 0.64 -0.52 0.00 3.32 -1.75 0.27 116.42 119.27 3ics h ASP 314 Ca 0.24 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3ics h ASP 314 Cb -0.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3ics h ASP 314 CO -0.05 0.68 0.19 0.40 -1.72 0.00 0.00 179.24 178.75 3ics h ILE 315 N 0.65 1.22 -0.03 0.35 2.04 -1.71 0.17 117.51 120.21 3ics h ILE 315 Ca 0.14 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3ics h ILE 315 Cb 0.34 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3ics h ILE 315 CO 0.01 0.27 -0.10 0.40 0.00 0.00 0.00 178.15 178.72 3ics h ILE 316 N 0.70 1.47 0.00 -0.67 2.04 -1.17 -3.41 117.51 116.47 3ics h ILE 316 Ca 0.17 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3ics h ILE 316 Cb 0.23 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3ics h ILE 316 CO -0.01 0.42 0.00 1.41 0.00 0.00 0.00 178.15 179.97 3ics n HIS 317 N -4.67 0.00 -1.34 1.37 8.25 0.07 -5.08 115.22 113.83 3ics n HIS 317 Ca -0.09 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3ics n HIS 317 Cb 0.37 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3ics n HIS 317 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ics n GLY 318 N -0.10 1.56 0.00 -1.41 0.00 0.61 -4.88 105.19 100.97 3ics n GLY 318 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3ics n GLY 318 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ics n HIS 319 N 0.00 0.00 -2.24 1.61 8.25 -1.25 -4.88 115.22 116.71 3ics n HIS 319 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3ics n HIS 319 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3ics n HIS 319 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3ics s THR 320 N 1.79 3.94 -0.04 1.59 -1.32 -1.26 -4.92 115.64 115.42 3ics s THR 320 Ca 0.00 1.17 -0.34 0.00 -1.21 0.00 0.00 61.69 61.32 3ics s THR 320 Cb 0.00 -3.76 -0.12 0.00 -1.51 0.00 0.00 72.50 67.12 3ics s THR 320 CO 0.00 -0.09 1.86 0.47 -2.21 0.00 0.00 174.62 174.65 3ics n ASP 321 N 6.58 3.52 -4.80 8.08 10.43 -1.26 -4.97 116.55 134.13 3ics n ASP 321 Ca 0.15 0.98 -0.39 0.00 2.57 0.00 0.00 54.79 58.10 3ics n ASP 321 Cb 0.44 -1.40 -0.06 0.00 1.84 0.00 0.00 41.12 41.94 3ics n ASP 321 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3ics s SER 322 N 3.72 7.06 0.03 -2.24 1.04 -1.26 -5.08 113.70 116.96 3ics s SER 322 Ca 0.90 1.25 -0.02 0.00 0.48 0.00 0.00 55.95 58.56 3ics s SER 322 Cb -0.65 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.06 3ics s SER 322 CO 0.48 0.24 0.21 -0.76 0.98 0.00 0.00 173.24 174.39 3ics s LEU 323 N -0.92 4.36 -0.17 2.42 1.02 -1.26 -4.95 118.68 119.18 3ics s LEU 323 Ca 0.30 0.35 -0.29 0.00 0.02 0.00 0.00 54.13 54.50 3ics s LEU 323 Cb -0.19 -2.78 -0.01 0.00 0.02 0.00 0.00 46.19 43.22 3ics s LEU 323 CO 0.19 0.22 1.26 -0.47 0.02 0.00 0.00 176.35 177.56 3ics s TYR 324 N -1.41 2.86 -1.26 0.29 5.04 -1.09 -4.89 117.35 116.88 3ics s TYR 324 Ca 0.31 1.02 0.08 0.00 -2.44 0.00 0.00 57.07 56.03 3ics s TYR 324 Cb -0.13 -3.51 0.32 0.00 0.35 0.00 0.00 41.96 38.99 3ics s TYR 324 CO 0.22 -1.67 1.12 0.36 -1.34 0.00 0.00 175.55 174.24 3ics n LYS 325 N 6.62 2.25 0.00 4.97 2.85 -1.26 -4.94 118.16 128.64 3ics n LYS 325 Ca 0.14 -1.24 0.00 0.00 -1.05 0.00 0.00 58.31 56.16 3ics n LYS 325 Cb 0.45 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 3ics n LYS 325 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ics n GLY 326 N 0.59 0.34 3.62 2.58 0.00 -1.26 -4.49 105.19 106.56 3ics n GLY 326 Ca 0.11 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 3ics n GLY 326 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ics s THR 327 N -1.31 4.81 0.11 2.61 2.01 -0.40 -4.68 115.64 118.79 3ics s THR 327 Ca 0.00 -0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 3ics s THR 327 Cb 0.00 -3.18 -0.20 0.00 0.01 0.00 0.00 72.50 69.13 3ics s THR 327 CO 0.00 0.44 1.26 0.25 -0.69 0.00 0.00 174.62 175.88 3ics h LEU 328 N 6.91 0.67 -0.42 4.42 6.46 -1.93 0.58 115.31 131.99 3ics h LEU 328 Ca -0.37 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 56.85 3ics h LEU 328 Cb 1.17 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3ics h LEU 328 CO 0.69 1.34 0.00 0.61 -0.62 0.00 0.00 178.44 180.46 3ics n GLY 329 N 1.00 0.96 3.67 3.75 0.00 -1.26 -1.52 105.19 111.79 3ics n GLY 329 Ca -0.08 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3ics n GLY 329 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ics s THR 330 N -2.42 3.55 0.09 2.61 2.01 -1.26 -4.17 115.64 116.05 3ics s THR 330 Ca 0.00 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 62.82 3ics s THR 330 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3ics s THR 330 CO 0.00 -0.04 -0.02 -0.94 -0.69 0.00 0.00 174.62 172.93 3ics s SER 331 N 2.66 0.64 -0.14 3.53 1.04 0.17 -4.99 113.70 116.62 3ics s SER 331 Ca 0.70 -1.06 -0.18 0.00 0.48 0.00 0.00 55.95 55.89 3ics s SER 331 Cb -0.33 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.03 3ics s SER 331 CO 0.28 -0.60 0.47 0.54 0.98 0.00 0.00 173.24 174.91 3ics s VAL 332 N -3.87 0.01 0.01 5.02 0.11 -1.26 -1.65 120.40 118.77 3ics s VAL 332 Ca 0.13 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 3ics s VAL 332 Cb 0.07 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 3ics s VAL 332 CO -0.05 -0.04 -0.06 0.00 -3.33 0.00 0.00 175.10 171.62 3ics s ALA 333 N -0.16 0.44 -0.00 1.54 0.00 -0.01 -5.01 121.76 118.57 3ics s ALA 333 Ca -0.03 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 3ics s ALA 333 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3ics s ALA 333 CO 0.02 0.05 0.93 0.21 0.00 0.00 0.00 175.76 176.97 3ics s LYS 334 N -0.60 4.55 -0.42 0.00 2.20 -1.26 -1.31 119.74 122.90 3ics s LYS 334 Ca -0.02 1.32 0.02 0.00 -0.36 0.00 0.00 55.97 56.93 3ics s LYS 334 Cb -0.05 -3.45 0.14 0.00 -1.51 0.00 0.00 37.83 32.96 3ics s LYS 334 CO -0.00 -0.01 0.23 0.08 -0.36 0.00 0.00 175.35 175.29 3ics s VAL 335 N 0.89 1.17 0.00 4.02 1.01 0.11 -4.70 120.40 122.90 3ics s VAL 335 Ca 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 60.09 3ics s VAL 335 Cb -0.21 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.35 3ics s VAL 335 CO 0.26 -0.91 0.00 0.49 0.00 0.00 0.00 175.10 174.95 3ics n PHE 336 N 3.66 0.00 1.62 5.22 3.72 -1.26 -1.19 117.46 129.23 3ics n PHE 336 Ca 0.09 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.63 3ics n PHE 336 Cb 0.35 0.00 0.63 0.00 -0.94 0.00 0.00 39.48 39.52 3ics n PHE 336 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ics n ASP 337 N 8.14 1.13 -4.90 4.37 10.43 -1.26 -4.90 116.55 129.57 3ics n ASP 337 Ca 0.00 -1.37 -0.32 0.00 2.57 0.00 0.00 54.79 55.67 3ics n ASP 337 Cb 0.00 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 42.91 3ics n ASP 337 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3ics s LEU 338 N -2.00 4.31 -0.11 0.64 1.02 -0.33 -4.34 118.68 117.87 3ics s LEU 338 Ca 0.40 0.29 -0.02 0.00 0.02 0.00 0.00 54.13 54.82 3ics s LEU 338 Cb 0.21 -2.74 -0.03 0.00 0.02 0.00 0.00 46.19 43.65 3ics s LEU 338 CO 0.34 0.22 -0.03 -0.89 0.02 0.00 0.00 176.35 176.01 3ics s THR 339 N -1.40 4.00 -0.11 5.49 2.01 0.50 -0.71 115.64 125.42 3ics s THR 339 Ca 0.30 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.97 3ics s THR 339 Cb -0.13 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.70 3ics s THR 339 CO 0.23 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.89 3ics s VAL 340 N -0.32 1.38 0.07 3.82 1.01 -0.42 -1.96 120.40 123.97 3ics s VAL 340 Ca 0.06 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3ics s VAL 340 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3ics s VAL 340 CO 0.02 0.42 -0.10 0.00 0.00 0.00 0.00 175.10 175.44 3ics s ALA 341 N 1.12 0.90 0.05 5.51 0.00 0.30 -0.83 121.76 128.81 3ics s ALA 341 Ca -0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 3ics s ALA 341 Cb -0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3ics s ALA 341 CO -0.03 0.03 0.10 -0.08 0.00 0.00 0.00 175.76 175.79 3ics s THR 342 N -1.63 0.14 -0.08 0.00 -1.32 -0.66 -0.43 115.64 111.66 3ics s THR 342 Ca -0.03 -1.17 -0.23 0.00 -1.21 0.00 0.00 61.69 59.05 3ics s THR 342 Cb -0.08 -1.03 0.05 0.00 -1.51 0.00 0.00 72.50 69.93 3ics s THR 342 CO 0.01 -0.64 0.54 0.28 -2.21 0.00 0.00 174.62 172.60 3ics s THR 343 N -2.94 0.02 0.00 5.08 -1.32 -0.22 -0.65 115.64 115.61 3ics s THR 343 Ca -0.02 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 3ics s THR 343 Cb 0.01 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 3ics s THR 343 CO -0.06 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 3ics n GLY 344 N 1.45 0.95 3.93 6.08 0.00 -0.58 -1.51 105.19 115.52 3ics n GLY 344 Ca -0.19 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 3ics n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ics s LEU 345 N 0.00 4.34 0.50 0.99 1.02 0.13 -4.86 118.68 120.81 3ics s LEU 345 Ca 0.00 0.22 0.09 0.00 0.02 0.00 0.00 54.13 54.46 3ics s LEU 345 Cb 0.00 -2.93 0.04 0.00 0.02 0.00 0.00 46.19 43.32 3ics s LEU 345 CO 0.00 0.12 0.64 0.54 0.02 0.00 0.00 176.35 177.67 3ics s ASN 346 N -2.84 5.26 0.26 2.29 2.20 -1.26 -3.92 114.94 116.94 3ics s ASN 346 Ca 0.35 -0.71 -0.03 0.00 -0.94 0.00 0.00 52.86 51.52 3ics s ASN 346 Cb -0.12 -0.13 0.38 0.00 -2.00 0.00 0.00 41.25 39.38 3ics s ASN 346 CO 0.28 -1.04 1.89 -0.33 -2.94 0.00 0.00 177.10 174.96 3ics h GLU 347 N 0.47 1.18 -0.72 3.55 5.08 -1.96 -2.26 114.58 119.92 3ics h GLU 347 Ca -0.35 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3ics h GLU 347 Cb 1.28 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3ics h GLU 347 CO 0.45 0.78 0.46 0.87 -1.00 0.00 0.00 179.01 180.57 3ics h LYS 348 N 1.22 0.88 -0.08 2.33 1.57 -1.96 0.17 116.57 120.69 3ics h LYS 348 Ca 0.42 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 3ics h LYS 348 Cb 0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3ics h LYS 348 CO -0.16 0.58 -0.12 0.82 -0.57 0.00 0.00 179.45 180.01 3ics h ILE 349 N 0.91 1.39 -0.68 1.86 2.04 -1.94 -2.07 117.51 119.02 3ics h ILE 349 Ca 0.28 -1.36 0.05 0.00 1.00 0.00 0.00 64.86 64.84 3ics h ILE 349 Cb -0.02 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 3ics h ILE 349 CO -0.09 0.38 0.39 -0.07 0.00 0.00 0.00 178.15 178.76 3ics h LEU 350 N -0.23 0.61 -0.63 1.44 3.38 -1.08 0.21 115.31 119.01 3ics h LEU 350 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ics h LEU 350 Cb 0.67 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3ics h LEU 350 CO 0.03 0.40 0.36 0.50 0.09 0.00 0.00 178.44 179.82 3ics h LYS 351 N 0.74 0.87 -1.00 1.13 3.64 -0.72 -0.36 116.57 120.87 3ics h LYS 351 Ca 0.29 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3ics h LYS 351 Cb 0.13 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 3ics h LYS 351 CO -0.16 0.65 0.66 -0.09 -2.27 0.00 0.00 179.45 178.24 3ics h ARG 352 N 0.86 1.29 -0.00 1.90 2.43 -0.59 -1.45 114.38 118.81 3ics h ARG 352 Ca 0.22 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3ics h ARG 352 Cb 0.02 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 3ics h ARG 352 CO -0.04 0.85 -0.04 1.28 -1.51 0.00 0.00 179.97 180.52 3ics n LEU 353 N -4.41 0.24 -2.69 3.80 4.77 -0.02 -4.93 117.00 113.77 3ics n LEU 353 Ca 0.13 0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.98 3ics n LEU 353 Cb 0.04 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3ics n LEU 353 CO 0.36 0.04 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.25 3ics n ASN 354 N -1.03 -5.68 -4.69 -1.43 5.15 -0.25 -4.99 115.26 102.35 3ics n ASN 354 Ca 0.17 -0.24 -0.38 0.00 -0.60 0.00 0.00 54.58 53.52 3ics n ASN 354 Cb 0.23 -4.52 -0.07 0.00 -0.53 0.00 0.00 39.78 34.89 3ics n ASN 354 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ics s ILE 355 N -3.11 5.17 0.17 -1.44 1.01 -0.57 -5.03 121.20 117.41 3ics s ILE 355 Ca 0.26 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 3ics s ILE 355 Cb -0.11 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 3ics s ILE 355 CO 0.32 0.26 1.17 -2.16 0.00 0.00 0.00 174.94 174.52 3ics s PRO 356 N 1.15 4.51 0.16 2.79 0.04 -1.26 -4.59 135.00 137.80 3ics s PRO 356 Ca 0.23 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 3ics s PRO 356 Cb -0.15 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 3ics s PRO 356 CO 0.09 -0.06 0.27 1.52 0.04 0.00 0.00 177.00 178.86 3ics s TYR 357 N -0.02 0.40 0.31 0.56 1.13 -1.26 -4.72 117.35 113.74 3ics s TYR 357 Ca 0.52 -0.76 0.08 0.00 -1.41 0.00 0.00 57.07 55.49 3ics s TYR 357 Cb -0.31 -0.07 -0.06 0.00 -1.10 0.00 0.00 41.96 40.41 3ics s TYR 357 CO 0.36 -0.70 -0.07 -1.21 -2.51 0.00 0.00 175.55 171.42 3ics s GLU 358 N -3.96 1.68 0.05 -3.49 0.41 0.92 -4.93 118.70 109.37 3ics s GLU 358 Ca 0.17 -1.86 0.01 0.00 -0.41 0.00 0.00 54.97 52.87 3ics s GLU 358 Cb 0.04 -1.38 -0.03 0.00 -1.78 0.00 0.00 34.13 30.98 3ics s GLU 358 CO -0.01 0.06 -0.05 0.14 -0.49 0.00 0.00 175.26 174.92 3ics s VAL 359 N -2.85 0.34 0.03 2.63 -7.23 -1.26 -0.99 120.40 111.08 3ics s VAL 359 Ca 0.31 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 3ics s VAL 359 Cb 0.04 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 3ics s VAL 359 CO 0.14 -0.65 -0.10 0.68 -0.31 0.00 0.00 175.10 174.86 3ics s VAL 360 N -2.40 0.75 -0.22 1.32 -7.23 -0.62 -4.99 120.40 106.99 3ics s VAL 360 Ca -0.04 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 3ics s VAL 360 Cb -0.03 -0.72 0.04 0.00 0.56 0.00 0.00 36.38 36.23 3ics s VAL 360 CO -0.03 -0.12 -0.14 -1.00 -0.31 0.00 0.00 175.10 173.50 3ics s HIS 361 N -0.89 3.03 -0.21 2.82 3.76 -1.26 -1.24 115.29 121.30 3ics s HIS 361 Ca -0.03 -1.93 0.01 0.00 -0.15 0.00 0.00 55.06 52.97 3ics s HIS 361 Cb -0.07 -1.94 0.04 0.00 1.11 0.00 0.00 32.58 31.71 3ics s HIS 361 CO 0.01 -0.83 -0.13 0.08 -0.85 0.00 0.00 174.74 173.02 3ics s VAL 362 N 1.21 1.87 -0.19 -0.90 1.01 0.69 -3.91 120.40 120.19 3ics s VAL 362 Ca -0.02 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 3ics s VAL 362 Cb -0.17 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3ics s VAL 362 CO -0.08 0.21 0.44 -1.58 0.00 0.00 0.00 175.10 174.09 3ics s GLN 363 N 1.30 4.20 0.08 2.72 0.74 -1.26 -0.93 119.66 126.50 3ics s GLN 363 Ca -0.02 0.29 -0.03 0.00 0.05 0.00 0.00 55.36 55.66 3ics s GLN 363 Cb -0.16 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 3ics s GLN 363 CO -0.09 -0.05 0.05 0.00 -0.55 0.00 0.00 175.29 174.65 3ics s ALA 364 N 1.34 0.39 0.39 1.58 0.00 -0.15 -4.94 121.76 120.38 3ics s ALA 364 Ca 0.21 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.82 3ics s ALA 364 Cb -0.15 0.44 -0.10 0.00 0.00 0.00 0.00 23.12 23.32 3ics s ALA 364 CO 0.09 -0.43 1.00 -0.80 0.00 0.00 0.00 175.76 175.61 3ics s ASN 365 N -2.93 6.94 0.44 0.00 0.01 -1.26 0.71 114.94 118.84 3ics s ASN 365 Ca 0.10 1.89 0.15 0.00 -0.71 0.00 0.00 52.86 54.29 3ics s ASN 365 Cb 0.07 -2.57 1.05 0.00 0.41 0.00 0.00 41.25 40.21 3ics s ASN 365 CO -0.08 -0.36 1.97 0.77 -1.51 0.00 0.00 177.10 177.89 3ics h SER 366 N 2.51 0.35 -5.24 -1.22 4.64 -1.02 -3.43 113.55 110.14 3ics h SER 366 Ca -0.48 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 3ics h SER 366 Cb 1.20 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 3ics h SER 366 CO 0.63 0.21 0.02 -1.38 -0.87 0.00 0.00 176.83 175.43 3ics s HIS 367 N -5.37 0.49 0.14 4.77 -3.43 -1.26 -4.15 115.29 106.47 3ics s HIS 367 Ca -0.08 -0.92 -0.35 0.00 -0.80 0.00 0.00 55.06 52.92 3ics s HIS 367 Cb 0.20 0.35 -0.15 0.00 -1.43 0.00 0.00 32.58 31.54 3ics s HIS 367 CO 0.75 -1.26 1.37 0.00 -2.00 0.00 0.00 174.74 173.60 3ics n ALA 368 N -0.50 -0.14 0.41 -1.38 0.00 -0.32 -4.80 120.51 113.77 3ics n ALA 368 Ca -0.03 0.48 0.13 0.00 0.00 0.00 0.00 53.44 54.01 3ics n ALA 368 Cb 0.61 -2.15 0.50 0.00 0.00 0.00 0.00 19.45 18.40 3ics n ALA 368 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ics h GLY 369 N 4.62 0.00 2.00 0.00 0.00 -1.91 -1.99 103.07 105.79 3ics h GLY 369 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ics h GLY 369 CO 0.79 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.91 3ics n TYR 370 N -2.34 0.27 -3.89 5.60 0.18 -1.26 -4.77 117.16 110.95 3ics n TYR 370 Ca 0.02 0.08 -0.35 0.00 1.88 0.00 0.00 57.90 59.53 3ics n TYR 370 Cb 0.27 -0.63 -0.05 0.00 -0.38 0.00 0.00 39.34 38.54 3ics n TYR 370 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3ics s TYR 371 N -3.03 3.58 0.41 -3.48 6.14 -0.75 -5.08 117.35 115.14 3ics s TYR 371 Ca 0.12 0.46 -0.24 0.00 0.64 0.00 0.00 57.07 58.05 3ics s TYR 371 Cb 0.16 -1.89 -0.11 0.00 0.42 0.00 0.00 41.96 40.54 3ics s TYR 371 CO 0.53 0.69 1.00 -2.30 0.64 0.00 0.00 175.55 176.11 3ics n PRO 372 N 1.49 1.34 -2.23 4.97 -0.02 -1.26 -3.82 135.00 135.47 3ics n PRO 372 Ca -0.16 0.48 -0.14 0.00 -2.02 0.00 0.00 63.50 61.66 3ics n PRO 372 Cb 0.54 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3ics n PRO 372 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ics n ASN 373 N 0.57 -4.38 -4.77 2.55 3.02 -1.26 -5.00 115.26 106.00 3ics n ASN 373 Ca 0.09 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 3ics n ASN 373 Cb 0.39 -3.52 -0.00 0.00 -0.61 0.00 0.00 39.78 36.03 3ics n ASN 373 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ics s ALA 374 N -2.70 3.12 0.02 5.41 0.00 -1.25 -4.97 121.76 121.38 3ics s ALA 374 Ca 0.00 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3ics s ALA 374 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3ics s ALA 374 CO 0.00 -0.78 -0.03 -0.08 0.00 0.00 0.00 175.76 174.87 3ics s THR 375 N -1.37 0.19 0.42 0.00 -1.32 -1.26 -4.94 115.64 107.37 3ics s THR 375 Ca 0.60 -0.72 -0.26 0.00 -1.21 0.00 0.00 61.69 60.10 3ics s THR 375 Cb -0.34 -0.28 -0.09 0.00 -1.51 0.00 0.00 72.50 70.27 3ics s THR 375 CO 0.43 -0.34 1.38 -2.84 -2.21 0.00 0.00 174.62 171.05 3ics s PRO 376 N -1.11 3.88 -0.20 7.08 0.02 -1.26 -0.42 135.00 143.01 3ics s PRO 376 Ca -0.10 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.26 3ics s PRO 376 Cb -0.07 -2.76 0.03 0.00 0.02 0.00 0.00 34.50 31.71 3ics s PRO 376 CO -0.00 -0.62 -0.18 0.08 -0.33 0.00 0.00 177.00 175.94 3ics s VAL 377 N -1.21 2.11 -0.28 3.83 1.01 0.22 -4.06 120.40 122.02 3ics s VAL 377 Ca 0.58 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3ics s VAL 377 Cb -0.42 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3ics s VAL 377 CO 0.54 0.44 0.32 -0.22 0.00 0.00 0.00 175.10 176.18 3ics s LEU 378 N 1.26 4.06 -0.16 3.92 2.96 -0.46 -0.97 118.68 129.29 3ics s LEU 378 Ca 0.03 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3ics s LEU 378 Cb -0.14 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 3ics s LEU 378 CO -0.11 -0.15 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.01 3ics s ILE 379 N 1.97 3.00 -0.21 6.68 1.01 -0.10 -1.86 121.20 131.69 3ics s ILE 379 Ca 0.12 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3ics s ILE 379 Cb -0.16 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 3ics s ILE 379 CO 0.10 0.50 0.05 -0.75 0.00 0.00 0.00 174.94 174.84 3ics s LYS 380 N 0.73 3.75 -0.11 2.79 2.20 0.49 -0.22 119.74 129.37 3ics s LYS 380 Ca -0.05 -0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3ics s LYS 380 Cb -0.15 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3ics s LYS 380 CO 0.02 0.02 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.69 3ics s LEU 381 N 1.03 2.54 -0.10 5.43 2.96 -0.37 -1.36 118.68 128.81 3ics s LEU 381 Ca 0.03 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3ics s LEU 381 Cb -0.14 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 3ics s LEU 381 CO 0.03 0.20 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.46 3ics s ILE 382 N 0.16 2.81 0.21 6.68 1.01 -0.09 -1.59 121.20 130.39 3ics s ILE 382 Ca -0.09 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 3ics s ILE 382 Cb -0.15 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.21 3ics s ILE 382 CO 0.05 0.55 0.58 0.72 0.00 0.00 0.00 174.94 176.84 3ics s PHE 383 N 0.10 -0.18 -0.13 3.97 -0.71 -0.16 -0.38 117.98 120.49 3ics s PHE 383 Ca -0.07 -0.17 -0.21 0.00 -1.04 0.00 0.00 56.93 55.43 3ics s PHE 383 Cb -0.15 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 3ics s PHE 383 CO 0.05 -0.98 0.62 1.21 -1.34 0.00 0.00 175.22 174.78 3ics s ASN 384 N -2.87 6.79 0.34 1.98 3.84 -0.07 -0.05 114.94 124.90 3ics s ASN 384 Ca 0.09 0.96 0.06 0.00 0.21 0.00 0.00 52.86 54.18 3ics s ASN 384 Cb -0.02 -2.36 0.63 0.00 -0.55 0.00 0.00 41.25 38.95 3ics s ASN 384 CO -0.02 -0.16 1.86 0.50 -2.79 0.00 0.00 177.10 176.49 3ics h LYS 385 N 7.06 0.40 0.00 0.43 3.64 -1.90 0.29 116.57 126.49 3ics h LYS 385 Ca -0.37 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 58.84 3ics h LYS 385 Cb 1.17 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3ics h LYS 385 CO 0.76 0.51 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.62 3ics h ASP 386 N 0.38 0.00 0.48 4.20 3.32 -1.93 -3.41 116.42 119.46 3ics h ASP 386 Ca 0.07 -0.71 -0.29 0.00 0.02 0.00 0.00 57.03 56.12 3ics h ASP 386 Cb 0.42 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 3ics h ASP 386 CO 0.02 1.09 -1.72 -1.54 -1.72 0.00 0.00 179.24 175.37 3ics n SER 387 N -4.57 0.87 0.00 6.45 3.41 -1.24 -4.97 113.62 113.57 3ics n SER 387 Ca -0.15 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3ics n SER 387 Cb 0.48 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3ics n SER 387 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ics n GLY 388 N 1.56 0.79 3.59 5.00 0.00 0.10 -4.87 105.19 111.36 3ics n GLY 388 Ca -0.17 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.36 3ics n GLY 388 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ics n LYS 389 N -2.25 1.22 -3.05 1.61 4.81 -1.26 -0.89 118.16 118.36 3ics n LYS 389 Ca 0.00 0.44 -0.40 0.00 -0.87 0.00 0.00 58.31 57.47 3ics n LYS 389 Cb 0.00 -1.98 -0.05 0.00 0.02 0.00 0.00 35.03 33.02 3ics n LYS 389 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3ics s ILE 390 N -0.02 4.98 -0.07 3.15 1.01 -1.26 -0.89 121.20 128.09 3ics s ILE 390 Ca 0.75 1.34 0.14 0.00 0.00 0.00 0.00 60.65 62.88 3ics s ILE 390 Cb -0.86 -4.01 -0.22 0.00 0.01 0.00 0.00 42.46 37.39 3ics s ILE 390 CO 0.51 0.09 0.66 -1.22 0.00 0.00 0.00 174.94 174.98 3ics n TYR 391 N 5.03 0.93 0.00 3.97 4.01 0.49 -4.97 117.16 126.63 3ics n TYR 391 Ca 0.00 0.33 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 3ics n TYR 391 Cb 0.49 -1.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.37 3ics n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ics n GLY 392 N 1.54 0.85 3.31 2.72 0.00 -1.11 -0.69 105.19 111.81 3ics n GLY 392 Ca -0.16 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 3ics n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ics s ALA 393 N -2.00 -1.01 0.03 4.61 0.00 -0.57 -0.91 121.76 121.90 3ics s ALA 393 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.42 3ics s ALA 393 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3ics s ALA 393 CO 0.00 -0.36 -0.07 -0.65 0.00 0.00 0.00 175.76 174.68 3ics s GLN 394 N -1.85 0.50 -0.05 0.00 -0.21 -0.46 -1.06 119.66 116.53 3ics s GLN 394 Ca -0.09 -0.57 -0.12 0.00 0.02 0.00 0.00 55.36 54.60 3ics s GLN 394 Cb -0.02 -0.34 0.02 0.00 1.00 0.00 0.00 33.01 33.67 3ics s GLN 394 CO 0.02 0.07 0.27 -0.08 -2.12 0.00 0.00 175.29 173.46 3ics s THR 395 N -0.95 0.04 0.12 -0.19 -1.32 0.42 -0.38 115.64 113.38 3ics s THR 395 Ca -0.06 -0.34 -0.15 0.00 -1.21 0.00 0.00 61.69 59.92 3ics s THR 395 Cb -0.07 -0.51 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 3ics s THR 395 CO 0.00 -0.19 0.38 -1.48 -2.21 0.00 0.00 174.62 171.12 3ics s LEU 396 N -0.81 0.50 0.00 9.08 0.05 -0.78 -0.54 118.68 126.18 3ics s LEU 396 Ca -0.09 -0.33 0.00 0.00 0.05 0.00 0.00 54.13 53.76 3ics s LEU 396 Cb -0.05 1.76 0.00 0.00 -2.05 0.00 0.00 46.19 45.85 3ics s LEU 396 CO 0.02 -0.83 0.00 0.61 -0.55 0.00 0.00 176.35 175.61 3ics n GLY 397 N -0.16 -1.45 0.11 -3.48 0.00 -0.83 -1.36 105.19 98.03 3ics n GLY 397 Ca -0.16 -1.54 -0.00 0.00 0.00 0.00 0.00 46.02 44.31 3ics n GLY 397 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ics h ARG 398 N 2.21 0.00 -2.03 1.61 3.08 -1.76 0.14 114.38 117.63 3ics h ARG 398 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3ics h ARG 398 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.86 3ics h ARG 398 CO 0.00 0.54 0.17 0.34 -1.07 0.00 0.00 179.97 179.95 3ics s ASP 399 N -6.33 -0.65 0.00 7.04 2.15 -1.26 -4.64 116.67 112.98 3ics s ASP 399 Ca 0.01 0.76 0.00 0.00 0.43 0.00 0.00 52.55 53.75 3ics s ASP 399 Cb 0.08 0.60 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 3ics s ASP 399 CO 0.78 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 175.81 3ics n GLY 400 N 1.06 0.44 0.13 2.66 0.00 -1.26 -4.71 105.19 103.51 3ics n GLY 400 Ca -0.19 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 3ics n GLY 400 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ics h VAL 401 N 0.00 0.99 -0.87 1.61 2.07 -1.92 -3.12 116.25 115.01 3ics h VAL 401 Ca 0.00 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 3ics h VAL 401 Cb 0.00 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 3ics h VAL 401 CO 0.00 0.73 0.49 -2.24 0.02 0.00 0.00 177.57 176.56 3ics h ASP 402 N -0.25 1.08 -0.25 0.57 2.03 -1.95 -2.76 116.42 114.89 3ics h ASP 402 Ca -0.32 -0.09 0.01 0.00 -0.73 0.00 0.00 57.03 55.90 3ics h ASP 402 Cb 1.81 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 40.02 3ics h ASP 402 CO 0.07 0.86 0.14 0.50 -1.03 0.00 0.00 179.24 179.78 3ics h LYS 403 N 1.21 0.29 -1.22 4.15 3.64 -1.99 -0.76 116.57 121.89 3ics h LYS 403 Ca 0.31 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3ics h LYS 403 Cb 0.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3ics h LYS 403 CO -0.05 0.19 0.00 0.54 -2.27 0.00 0.00 179.45 177.86 3ics n ARG 404 N -4.95 0.36 0.00 1.90 3.00 -1.04 -1.86 116.66 114.06 3ics n ARG 404 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 3ics n ARG 404 Cb 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.23 3ics n ARG 404 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3ics n ASP 406 N 0.66 0.00 -0.06 0.55 8.00 -0.29 -1.97 116.55 123.44 3ics n ASP 406 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3ics n ASP 406 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 3ics n ASP 406 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ics h VAL 407 N 0.00 1.14 -0.37 2.53 2.07 -1.63 -0.77 116.25 119.21 3ics h VAL 407 Ca 0.00 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3ics h VAL 407 Cb 0.00 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3ics h VAL 407 CO 0.00 0.13 0.06 0.40 0.02 0.00 0.00 177.57 178.18 3ics h ILE 408 N 0.22 1.24 -0.20 4.57 2.04 -1.67 -1.51 117.51 122.20 3ics h ILE 408 Ca 0.07 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3ics h ILE 408 Cb 0.11 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3ics h ILE 408 CO -0.01 0.29 0.06 0.00 0.00 0.00 0.00 178.15 178.49 3ics h ALA 409 N 0.91 1.73 -0.30 1.87 0.00 -1.81 -0.94 119.26 120.73 3ics h ALA 409 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3ics h ALA 409 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ics h ALA 409 CO 0.01 0.22 -0.14 1.15 0.00 0.00 0.00 179.25 180.48 3ics h THR 410 N 0.28 1.29 -0.55 0.00 2.02 -0.73 -2.57 112.91 112.65 3ics h THR 410 Ca 0.07 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 3ics h THR 410 Cb 0.10 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3ics h THR 410 CO -0.00 0.39 0.31 0.00 0.37 0.00 0.00 175.52 176.59 3ics h ALA 411 N 0.76 0.71 -0.31 6.16 0.00 -0.57 -0.83 119.26 125.17 3ics h ALA 411 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ics h ALA 411 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ics h ALA 411 CO 0.04 0.22 0.14 0.82 0.00 0.00 0.00 179.25 180.48 3ics h ILE 412 N 0.74 1.16 0.00 0.00 2.04 -1.17 0.40 117.51 120.68 3ics h ILE 412 Ca 0.19 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 3ics h ILE 412 Cb 0.04 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3ics h ILE 412 CO -0.03 0.17 -0.34 0.11 0.00 0.00 0.00 178.15 178.06 3ics h LYS 413 N 0.37 0.00 -0.07 2.37 1.57 -1.30 -1.57 116.57 117.94 3ics h LYS 413 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ics h LYS 413 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3ics h LYS 413 CO -0.01 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 3ics n ALA 414 N -2.37 2.54 -2.31 3.86 0.00 -0.33 -4.90 120.51 116.99 3ics n ALA 414 Ca -0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 3ics n ALA 414 Cb 0.42 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 3ics n ALA 414 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ics n ASN 415 N -0.35 -5.05 -4.85 0.00 5.03 -0.59 -5.00 115.26 104.44 3ics n ASN 415 Ca 0.10 -0.01 -0.31 0.00 0.87 0.00 0.00 54.58 55.23 3ics n ASN 415 Cb 0.12 -4.14 0.00 0.00 -1.02 0.00 0.00 39.78 34.75 3ics n ASN 415 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ics s LEU 416 N -4.93 3.34 0.51 3.41 1.43 0.06 -5.02 118.68 117.48 3ics s LEU 416 Ca 0.00 1.51 0.06 0.00 -1.03 0.00 0.00 54.13 54.68 3ics s LEU 416 Cb 0.00 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.75 3ics s LEU 416 CO 0.00 -0.90 0.39 0.42 0.23 0.00 0.00 176.35 176.50 3ics s THR 417 N -2.97 1.91 0.51 5.49 -4.23 -1.26 -4.48 115.64 110.61 3ics s THR 417 Ca 0.57 -1.47 0.26 0.00 -1.18 0.00 0.00 61.69 59.87 3ics s THR 417 Cb -0.11 -2.38 0.31 0.00 1.34 0.00 0.00 72.50 71.66 3ics s THR 417 CO 0.47 0.00 2.16 -0.37 -0.54 0.00 0.00 174.62 176.34 3ics h VAL 418 N 0.84 0.66 0.00 2.29 -1.51 -1.33 -1.23 116.25 115.96 3ics h VAL 418 Ca -0.38 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 3ics h VAL 418 Cb 1.29 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 3ics h VAL 418 CO 0.58 0.06 0.00 -0.07 -1.23 0.00 0.00 177.57 176.91 3ics h LEU 419 N 0.00 0.00 0.00 4.19 3.38 -1.85 -2.96 115.31 118.07 3ics h LEU 419 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3ics h LEU 419 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ics h LEU 419 CO 0.01 0.00 -1.38 0.47 0.09 0.00 0.00 178.44 177.63 3ics n ASP 420 N -2.49 0.75 -0.33 -0.43 8.00 -0.47 -4.44 116.55 117.13 3ics n ASP 420 Ca 0.02 0.31 -0.01 0.00 0.71 0.00 0.00 54.79 55.83 3ics n ASP 420 Cb 0.30 0.44 0.12 0.00 -0.02 0.00 0.00 41.12 41.97 3ics n ASP 420 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ics h LEU 421 N 0.00 0.95 -2.43 0.64 3.38 -1.48 -1.61 115.31 114.75 3ics h LEU 421 Ca -0.12 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3ics h LEU 421 Cb 1.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ics h LEU 421 CO 0.03 0.64 0.15 -0.65 0.09 0.00 0.00 178.44 178.70 3ics h PRO 422 N 1.10 0.00 -0.39 1.13 0.11 -1.75 -2.80 132.00 129.41 3ics h PRO 422 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3ics h PRO 422 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3ics h PRO 422 CO -0.13 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.19 3ics n ASP 423 N -3.43 3.14 -4.60 -2.05 2.03 -0.61 -4.87 116.55 106.16 3ics n ASP 423 Ca -0.01 -1.95 -0.43 0.00 0.52 0.00 0.00 54.79 52.92 3ics n ASP 423 Cb 0.24 -0.25 -0.02 0.00 -0.72 0.00 0.00 41.12 40.36 3ics n ASP 423 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ics s LEU 424 N -1.43 3.60 -0.73 -2.67 1.43 -1.05 -4.97 118.68 112.86 3ics s LEU 424 Ca 0.38 0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 53.96 3ics s LEU 424 Cb 0.22 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.94 3ics s LEU 424 CO 0.30 -1.38 1.18 -0.70 0.23 0.00 0.00 176.35 175.98 3ics s GLU 425 N 4.81 3.18 0.53 1.70 2.12 -1.26 -4.88 118.70 124.90 3ics s GLU 425 Ca 0.58 -0.47 0.08 0.00 0.36 0.00 0.00 54.97 55.51 3ics s GLU 425 Cb -0.12 -4.24 0.05 0.00 0.26 0.00 0.00 34.13 30.08 3ics s GLU 425 CO 0.32 -2.04 0.59 -0.51 -0.54 0.00 0.00 175.26 173.08 3ics s LEU 426 N 5.15 3.05 -0.28 2.70 1.43 -1.26 -5.05 118.68 124.42 3ics s LEU 426 Ca 0.31 -0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 3ics s LEU 426 Cb -0.11 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3ics s LEU 426 CO 0.12 -1.13 1.19 -0.44 0.23 0.00 0.00 176.35 176.32 3ics s SER 427 N -4.44 6.85 -0.21 2.29 0.01 -1.26 -5.00 113.70 111.93 3ics s SER 427 Ca 0.50 1.22 0.02 0.00 1.31 0.00 0.00 55.95 59.00 3ics s SER 427 Cb -0.05 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.68 3ics s SER 427 CO 0.31 -0.93 -0.14 -0.47 0.41 0.00 0.00 173.24 172.42 3ics s TYR 428 N 3.88 2.86 0.07 2.43 6.04 -1.26 -4.33 117.35 127.04 3ics s TYR 428 Ca 0.51 -1.89 -0.06 0.00 0.04 0.00 0.00 57.07 55.67 3ics s TYR 428 Cb -0.15 -1.85 -0.01 0.00 -1.04 0.00 0.00 41.96 38.90 3ics s TYR 428 CO 0.18 -0.82 0.12 0.00 -1.54 0.00 0.00 175.55 173.48 3ics s ALA 429 N 1.25 -0.01 0.30 3.97 0.00 -1.26 -4.99 121.76 121.02 3ics s ALA 429 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3ics s ALA 429 Cb -0.16 0.38 0.77 0.00 0.00 0.00 0.00 23.12 24.11 3ics s ALA 429 CO -0.09 -0.44 1.60 -1.35 0.00 0.00 0.00 175.76 175.49 3ics h PRO 430 N 3.03 0.07 0.00 0.00 0.11 -1.97 -0.00 132.00 133.24 3ics h PRO 430 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ics h PRO 430 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ics h PRO 430 CO 0.58 0.05 0.00 -1.35 -0.21 0.00 0.00 178.00 177.06 3ics h PRO 431 N 0.07 0.00 0.00 1.05 0.11 -1.97 -3.25 132.00 128.02 3ics h PRO 431 Ca 0.59 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.59 3ics h PRO 431 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3ics h PRO 431 CO -0.81 0.00 -1.42 0.66 -0.21 0.00 0.00 178.00 176.22 3ics n TYR 432 N -2.49 0.00 -2.38 0.65 4.01 -0.05 -4.82 117.16 112.07 3ics n TYR 432 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3ics n TYR 432 Cb 0.22 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3ics n TYR 432 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ics n SER 433 N -2.54 0.00 -4.44 7.72 2.88 -0.95 -4.54 113.62 111.74 3ics n SER 433 Ca -0.12 -0.35 -0.22 0.00 -1.33 0.00 0.00 58.87 56.85 3ics n SER 433 Cb 0.66 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.02 3ics n SER 433 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3ics s SER 434 N 0.92 2.92 0.48 -3.46 0.01 -1.26 -1.18 113.70 112.13 3ics s SER 434 Ca 0.00 -1.18 0.21 0.00 1.31 0.00 0.00 55.95 56.29 3ics s SER 434 Cb 0.00 -0.20 1.23 0.00 0.21 0.00 0.00 66.02 67.27 3ics s SER 434 CO 0.00 -0.31 1.93 0.00 0.41 0.00 0.00 173.24 175.28 3ics h ALA 435 N 2.25 2.36 -3.49 1.44 0.00 -1.96 -3.09 119.26 116.76 3ics h ALA 435 Ca -0.40 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.82 3ics h ALA 435 Cb 1.24 -0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.69 3ics h ALA 435 CO 0.67 -0.56 -0.75 0.15 0.00 0.00 0.00 179.25 178.76 3ics s LYS 436 N -5.22 2.56 0.60 0.00 1.02 -1.26 -5.04 119.74 112.40 3ics s LYS 436 Ca -0.07 -1.16 -0.20 0.00 0.02 0.00 0.00 55.97 54.57 3ics s LYS 436 Cb 0.21 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3ics s LYS 436 CO 0.76 -0.50 1.32 -3.47 -0.92 0.00 0.00 175.35 172.53 3ics n ASP 437 N 4.59 2.34 -0.24 2.83 2.03 -1.17 -4.88 116.55 122.04 3ics n ASP 437 Ca -0.15 0.90 0.21 0.00 0.52 0.00 0.00 54.79 56.27 3ics n ASP 437 Cb 0.45 -1.56 0.40 0.00 -0.72 0.00 0.00 41.12 39.68 3ics n ASP 437 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3ics n PRO 438 N -1.49 -0.05 -0.06 -0.67 -0.02 -1.26 -1.12 135.00 130.33 3ics n PRO 438 Ca 0.13 1.04 -0.12 0.00 -2.02 0.00 0.00 63.50 62.54 3ics n PRO 438 Cb 0.46 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 3ics n PRO 438 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ics h VAL 439 N 0.00 1.28 0.00 -1.45 2.07 -1.93 -1.09 116.25 115.12 3ics h VAL 439 Ca 0.60 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3ics h VAL 439 Cb 1.53 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3ics h VAL 439 CO -0.60 0.29 0.00 0.59 0.02 0.00 0.00 177.57 177.88 3ics n ASN 440 N -4.66 0.00 0.00 0.57 5.03 -0.27 -1.58 115.26 114.34 3ics n ASN 440 Ca -0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.40 3ics n ASN 440 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 3ics n ASN 440 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3ics n VAL 442 N 0.40 0.00 -0.08 2.41 3.14 -0.41 -0.70 118.33 123.10 3ics n VAL 442 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 3ics n VAL 442 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 3ics n VAL 442 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3ics h GLY 443 N 0.00 0.39 0.97 7.55 0.00 -1.54 -1.62 103.07 108.82 3ics h GLY 443 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3ics h GLY 443 CO 0.00 0.16 0.23 -0.97 0.00 0.00 0.00 176.54 175.97 3ics h TYR 444 N 0.33 0.59 -0.42 5.60 0.05 -1.18 -0.44 116.97 121.50 3ics h TYR 444 Ca 0.09 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.88 3ics h TYR 444 Cb 0.04 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 3ics h TYR 444 CO -0.04 0.45 0.23 0.00 -1.05 0.00 0.00 178.16 177.76 3ics h ALA 445 N 1.08 0.52 -0.41 3.88 0.00 -1.81 -0.99 119.26 121.55 3ics h ALA 445 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ics h ALA 445 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ics h ALA 445 CO -0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.05 3ics h ALA 446 N 1.20 0.56 -0.99 0.00 0.00 -1.18 -3.01 119.26 115.85 3ics h ALA 446 Ca 0.17 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ics h ALA 446 Cb 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3ics h ALA 446 CO -0.09 0.40 0.64 0.77 0.00 0.00 0.00 179.25 180.97 3ics h SER 447 N 0.59 1.04 0.20 0.00 0.02 -0.91 -0.84 113.55 113.65 3ics h SER 447 Ca 0.11 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3ics h SER 447 Cb 0.58 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3ics h SER 447 CO 0.03 0.68 -0.18 0.78 -1.14 0.00 0.00 176.83 177.00 3ics h ASN 448 N 1.19 0.00 -0.03 3.07 2.35 -1.05 0.15 115.58 121.26 3ics h ASN 448 Ca 0.41 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.09 3ics h ASN 448 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3ics h ASN 448 CO -0.15 0.18 -0.26 0.40 -1.65 0.00 0.00 177.43 175.95 3ics h ILE 449 N 0.00 1.48 -0.70 2.81 2.04 -1.26 0.21 117.51 122.09 3ics h ILE 449 Ca -0.00 -1.80 0.05 0.00 1.00 0.00 0.00 64.86 64.10 3ics h ILE 449 Cb 0.33 2.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 3ics h ILE 449 CO 0.02 0.50 0.42 0.58 0.00 0.00 0.00 178.15 179.68 3ics h VAL 450 N -0.36 1.03 -0.00 1.67 2.07 -0.82 -2.42 116.25 117.42 3ics h VAL 450 Ca -0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3ics h VAL 450 Cb 0.96 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3ics h VAL 450 CO 0.05 0.14 -0.04 0.47 0.02 0.00 0.00 177.57 178.21 3ics n ASP 451 N -4.71 0.37 -0.18 0.57 8.00 0.49 -4.89 116.55 116.19 3ics n ASP 451 Ca 0.08 -0.75 -0.02 0.00 0.71 0.00 0.00 54.79 54.81 3ics n ASP 451 Cb 0.14 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3ics n ASP 451 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ics n GLY 452 N 1.18 0.58 0.24 0.44 0.00 -0.90 -4.93 105.19 101.80 3ics n GLY 452 Ca 0.18 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.68 3ics n GLY 452 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ics h PHE 453 N 0.00 0.00 -3.12 1.61 0.04 -0.86 -3.45 116.94 111.16 3ics h PHE 453 Ca -0.05 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 3ics h PHE 453 Cb 0.20 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.15 3ics h PHE 453 CO 0.10 0.07 -0.32 0.54 -0.60 0.00 0.00 178.31 178.10 3ics s VAL 454 N -3.46 0.06 0.11 -0.55 0.11 -1.10 -4.73 120.40 110.83 3ics s VAL 454 Ca 0.03 -0.47 0.09 0.00 -2.93 0.00 0.00 61.98 58.70 3ics s VAL 454 Cb 0.08 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3ics s VAL 454 CO 0.62 -0.26 -0.20 -0.62 -3.33 0.00 0.00 175.10 171.31 3ics s ASP 455 N -1.21 3.76 0.12 3.54 -1.08 -1.26 -4.36 116.67 116.18 3ics s ASP 455 Ca -0.13 -0.59 0.01 0.00 -0.52 0.00 0.00 52.55 51.32 3ics s ASP 455 Cb -0.05 -0.48 -0.04 0.00 -1.46 0.00 0.00 42.92 40.88 3ics s ASP 455 CO 0.03 0.19 -0.01 0.42 0.52 0.00 0.00 175.17 176.32 3ics s THR 456 N -1.11 0.47 0.21 1.71 -4.23 -1.26 -1.30 115.64 110.13 3ics s THR 456 Ca 0.17 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 3ics s THR 456 Cb -0.10 -1.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 3ics s THR 456 CO 0.09 -0.69 -0.05 0.68 -0.54 0.00 0.00 174.62 174.11 3ics s VAL 457 N -3.78 1.20 0.27 2.29 -7.23 -0.45 -4.85 120.40 107.85 3ics s VAL 457 Ca 0.17 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 3ics s VAL 457 Cb 0.06 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 3ics s VAL 457 CO -0.02 -0.46 0.40 -1.10 -0.31 0.00 0.00 175.10 173.62 3ics s GLN 458 N -3.80 3.37 0.33 4.82 -1.52 -1.26 -1.18 119.66 120.42 3ics s GLN 458 Ca 0.25 -0.78 0.13 0.00 -1.95 0.00 0.00 55.36 53.01 3ics s GLN 458 Cb 0.04 -2.85 1.02 0.00 -0.22 0.00 0.00 33.01 31.00 3ics s GLN 458 CO 0.07 0.32 1.69 0.11 -0.25 0.00 0.00 175.29 177.22 3ics h TRP 459 N 1.06 0.96 -0.00 0.91 5.08 -1.96 -0.24 115.95 121.77 3ics h TRP 459 Ca -0.50 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3ics h TRP 459 Cb 1.24 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 3ics h TRP 459 CO 0.45 -0.09 -0.04 -2.39 -1.28 0.00 0.00 178.44 175.09 3ics n HIS 460 N -4.99 0.00 -0.07 0.12 1.44 -1.26 -3.80 115.22 106.66 3ics n HIS 460 Ca 0.30 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.94 3ics n HIS 460 Cb 0.90 -0.13 -0.12 0.00 0.12 0.00 0.00 29.99 30.76 3ics n HIS 460 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3ics n GLU 461 N -0.92 1.51 -0.27 -1.40 1.02 -0.14 -4.79 120.64 115.65 3ics n GLU 461 Ca 0.18 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 3ics n GLU 461 Cb 0.23 -1.38 0.06 0.00 -0.02 0.00 0.00 31.44 30.32 3ics n GLU 461 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3ics h ILE 462 N 0.00 1.24 -0.23 -3.67 6.09 -1.55 -2.17 117.51 117.22 3ics h ILE 462 Ca -0.39 -0.71 0.00 0.00 -1.37 0.00 0.00 64.86 62.39 3ics h ILE 462 Cb 1.87 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.47 3ics h ILE 462 CO 0.02 0.30 0.15 0.44 -3.07 0.00 0.00 178.15 175.99 3ics h ASP 463 N 1.06 0.27 -0.70 2.19 3.32 -1.87 -0.13 116.42 120.56 3ics h ASP 463 Ca 0.25 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.31 3ics h ASP 463 Cb 0.15 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3ics h ASP 463 CO -0.03 0.20 0.45 -0.09 -1.72 0.00 0.00 179.24 178.05 3ics h ARG 464 N 0.32 0.88 -0.21 3.56 2.43 -1.84 -0.19 114.38 119.33 3ics h ARG 464 Ca 0.09 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3ics h ARG 464 Cb -0.03 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3ics h ARG 464 CO -0.02 0.58 0.08 0.82 -1.51 0.00 0.00 179.97 179.92 3ics h ILE 465 N 0.91 0.96 -0.75 1.20 2.04 -0.96 -1.96 117.51 118.95 3ics h ILE 465 Ca 0.27 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.09 3ics h ILE 465 Cb -0.05 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3ics h ILE 465 CO -0.08 0.03 0.48 0.58 0.00 0.00 0.00 178.15 179.17 3ics h VAL 466 N 0.18 1.14 -0.18 1.67 2.07 -0.66 -0.63 116.25 119.84 3ics h VAL 466 Ca 0.09 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3ics h VAL 466 Cb 0.05 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3ics h VAL 466 CO -0.09 0.17 0.14 -0.33 0.02 0.00 0.00 177.57 177.48 3ics h GLU 467 N 0.96 0.00 -0.70 1.57 5.08 -0.70 -3.18 114.58 117.61 3ics h GLU 467 Ca 0.29 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.16 3ics h GLU 467 Cb -0.04 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 28.90 3ics h GLU 467 CO -0.09 0.00 -0.24 0.09 -1.00 0.00 0.00 179.01 177.78 3ics n ASN 468 N -4.40 4.95 0.00 1.42 3.02 -0.63 -4.92 115.26 114.70 3ics n ASN 468 Ca 0.01 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 3ics n ASN 468 Cb 0.27 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3ics n ASN 468 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ics n GLY 469 N -0.87 0.47 3.76 7.41 0.00 -1.16 -4.99 105.19 109.82 3ics n GLY 469 Ca 0.46 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 3ics n GLY 469 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ics s GLY 470 N -1.20 2.87 -0.38 -0.02 0.00 -0.34 -4.69 107.32 103.56 3ics s GLY 470 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 44.72 45.87 3ics s GLY 470 CO 0.00 1.99 0.23 -0.47 0.00 0.00 0.00 173.10 174.85 3ics s TYR 471 N -0.90 3.24 -0.28 1.90 5.04 -0.85 -4.61 117.35 120.88 3ics s TYR 471 Ca 0.51 -0.78 -0.09 0.00 -2.44 0.00 0.00 57.07 54.27 3ics s TYR 471 Cb -0.40 -2.48 -0.02 0.00 0.35 0.00 0.00 41.96 39.41 3ics s TYR 471 CO 0.51 -0.60 0.13 -1.17 -1.34 0.00 0.00 175.55 173.08 3ics s LEU 472 N 1.60 3.86 -0.24 6.97 2.96 -1.26 0.04 118.68 132.62 3ics s LEU 472 Ca 0.03 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3ics s LEU 472 Cb -0.19 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 3ics s LEU 472 CO 0.08 -0.11 0.08 -0.63 -1.32 0.00 0.00 176.35 174.44 3ics s ILE 473 N 1.64 4.46 -0.40 6.68 1.01 0.17 -1.16 121.20 133.59 3ics s ILE 473 Ca 0.06 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 3ics s ILE 473 Cb -0.16 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.25 3ics s ILE 473 CO 0.06 0.36 0.69 -0.62 0.00 0.00 0.00 174.94 175.42 3ics s ASP 474 N 1.38 6.41 -0.17 3.58 3.68 -0.11 -0.63 116.67 130.82 3ics s ASP 474 Ca 0.05 -0.01 0.17 0.00 2.13 0.00 0.00 52.55 54.88 3ics s ASP 474 Cb -0.15 -2.34 0.77 0.00 -1.45 0.00 0.00 42.92 39.75 3ics s ASP 474 CO 0.04 -0.73 1.69 1.33 0.13 0.00 0.00 175.17 177.63 3ics n VAL 475 N 5.80 2.25 -1.49 1.11 0.24 0.15 -1.26 118.33 125.12 3ics n VAL 475 Ca -0.00 -1.28 -0.32 0.00 -2.04 0.00 0.00 64.34 60.69 3ics n VAL 475 Cb 0.48 -0.05 0.08 0.00 -1.47 0.00 0.00 33.84 32.88 3ics n VAL 475 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3ics s ARG 476 N -2.25 2.42 0.48 7.34 0.52 -1.26 -0.83 118.95 125.37 3ics s ARG 476 Ca 0.53 1.40 -0.22 0.00 -0.52 0.00 0.00 55.73 56.92 3ics s ARG 476 Cb 0.37 -1.90 -0.07 0.00 0.52 0.00 0.00 34.95 33.87 3ics s ARG 476 CO 0.21 -1.55 1.18 -1.21 0.02 0.00 0.00 175.30 173.95 3ics s GLU 477 N -4.33 3.62 0.41 3.54 2.02 -1.26 -4.05 118.70 118.66 3ics s GLU 477 Ca 0.66 1.79 0.15 0.00 0.02 0.00 0.00 54.97 57.60 3ics s GLU 477 Cb -0.21 -2.32 1.01 0.00 0.10 0.00 0.00 34.13 32.71 3ics s GLU 477 CO 0.47 -0.68 1.90 -1.35 0.02 0.00 0.00 175.26 175.63 3ics h PRO 478 N 1.83 0.45 -0.50 0.39 0.11 -1.98 -0.25 132.00 132.05 3ics h PRO 478 Ca -0.50 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.70 3ics h PRO 478 Cb 1.26 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3ics h PRO 478 CO 0.59 0.30 0.35 -2.95 -0.21 0.00 0.00 178.00 176.08 3ics h ASN 479 N 0.47 0.16 0.30 -2.05 7.08 -2.04 -1.88 115.58 117.61 3ics h ASN 479 Ca 0.40 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.62 3ics h ASN 479 Cb 0.87 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.08 3ics h ASN 479 CO -0.14 0.09 0.00 -0.62 -2.08 0.00 0.00 177.43 174.68 3ics n GLU 480 N -4.44 0.51 -0.04 4.14 1.02 -0.11 -3.40 120.64 118.32 3ics n GLU 480 Ca 0.08 0.04 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 3ics n GLU 480 Cb 0.45 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.61 3ics n GLU 480 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ics n LEU 481 N -1.19 0.54 -0.32 -4.62 4.77 -0.71 -4.28 117.00 111.20 3ics n LEU 481 Ca 0.14 -0.25 0.07 0.00 -0.03 0.00 0.00 56.01 55.95 3ics n LEU 481 Cb 0.16 -0.05 0.23 0.00 -2.33 0.00 0.00 43.42 41.43 3ics n LEU 481 CO 0.17 0.13 1.15 0.11 -1.33 0.00 0.00 177.39 177.62 3ics h LYS 482 N 0.64 0.72 -0.60 3.23 1.57 -1.79 -2.16 116.57 118.18 3ics h LYS 482 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ics h LYS 482 Cb 0.14 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3ics h LYS 482 CO 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 3ics n GLN 483 N -4.79 2.46 0.00 3.15 0.00 -1.26 -5.14 117.38 111.80 3ics n GLN 483 Ca 0.18 -2.15 0.00 0.00 0.00 0.00 0.00 57.00 55.03 3ics n GLN 483 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.16 3ics n GLN 483 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ics n GLY 484 N 1.40 0.12 3.75 2.61 0.00 -0.82 -4.94 105.19 107.31 3ics n GLY 484 Ca 0.20 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 3ics n GLY 484 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ics s ILE 486 N 0.00 4.72 0.19 -0.61 1.01 -1.26 -4.80 121.20 120.45 3ics s ILE 486 Ca 0.00 1.60 -0.33 0.00 0.00 0.00 0.00 60.65 61.92 3ics s ILE 486 Cb 0.00 -4.10 -0.15 0.00 0.01 0.00 0.00 42.46 38.23 3ics s ILE 486 CO 0.00 0.38 1.35 1.17 0.00 0.00 0.00 174.94 177.84 3ics n LYS 487 N 2.72 1.66 -0.60 2.79 4.81 -1.26 -2.16 118.16 126.11 3ics n LYS 487 Ca -0.03 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3ics n LYS 487 Cb 0.50 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3ics n LYS 487 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ics n GLY 488 N 2.35 0.83 3.77 3.14 0.00 -1.26 -4.99 105.19 109.03 3ics n GLY 488 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3ics n GLY 488 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ics s SER 489 N -3.00 6.53 -0.20 1.61 0.01 -0.92 -4.48 113.70 113.26 3ics s SER 489 Ca 0.00 2.86 -0.00 0.00 1.31 0.00 0.00 55.95 60.12 3ics s SER 489 Cb 0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 3ics s SER 489 CO 0.00 -0.75 -0.16 -0.63 0.41 0.00 0.00 173.24 172.12 3ics s ILE 490 N -0.76 2.37 -0.41 1.44 1.01 -0.31 -4.91 121.20 119.63 3ics s ILE 490 Ca 0.54 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 3ics s ILE 490 Cb -0.44 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.01 3ics s ILE 490 CO 0.54 0.47 1.18 0.21 0.00 0.00 0.00 174.94 177.35 3ics s ASN 491 N 1.32 6.67 -0.30 3.58 3.04 -1.26 -0.93 114.94 127.05 3ics s ASN 491 Ca 0.04 0.76 0.00 0.00 0.04 0.00 0.00 52.86 53.70 3ics s ASN 491 Cb -0.14 -2.55 0.09 0.00 -1.54 0.00 0.00 41.25 37.12 3ics s ASN 491 CO -0.10 -1.17 0.07 -0.63 -3.04 0.00 0.00 177.10 172.23 3ics s ILE 492 N 4.39 1.27 0.21 -5.21 1.01 -0.39 -4.95 121.20 117.53 3ics s ILE 492 Ca 0.50 -1.58 -0.32 0.00 0.00 0.00 0.00 60.65 59.26 3ics s ILE 492 Cb -0.10 -1.90 -0.14 0.00 0.01 0.00 0.00 42.46 40.32 3ics s ILE 492 CO 0.27 -0.58 1.35 -2.65 0.00 0.00 0.00 174.94 173.33 3ics n PRO 493 N 4.69 1.80 -0.32 2.79 -0.02 -1.26 -3.99 135.00 138.70 3ics n PRO 493 Ca -0.02 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 3ics n PRO 493 Cb 0.42 -2.26 0.18 0.00 -0.02 0.00 0.00 33.50 31.82 3ics n PRO 493 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ics h LEU 494 N 4.09 -0.64 -0.32 2.45 5.85 -1.23 0.12 115.31 125.63 3ics h LEU 494 Ca -0.45 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3ics h LEU 494 Cb 1.29 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.82 3ics h LEU 494 CO 0.75 -0.29 0.00 0.47 -0.34 0.00 0.00 178.44 179.03 3ics n ASP 495 N -5.51 0.38 -0.00 1.25 8.00 -1.26 -1.59 116.55 117.82 3ics n ASP 495 Ca 0.17 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.36 3ics n ASP 495 Cb 0.55 -0.67 -0.15 0.00 -0.02 0.00 0.00 41.12 40.83 3ics n ASP 495 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ics n GLU 496 N -1.91 0.46 -0.36 -1.24 1.02 0.34 -4.67 120.64 114.28 3ics n GLU 496 Ca 0.03 -0.13 -0.02 0.00 -0.02 0.00 0.00 57.16 57.01 3ics n GLU 496 Cb 0.24 -1.52 0.11 0.00 -0.02 0.00 0.00 31.44 30.25 3ics n GLU 496 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ics h LEU 497 N 0.00 1.14 -1.43 -4.62 5.85 -0.29 -2.03 115.31 113.93 3ics h LEU 497 Ca 0.00 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3ics h LEU 497 Cb 0.85 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ics h LEU 497 CO 0.00 0.85 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.82 3ics h ARG 498 N 1.32 0.32 0.00 1.25 2.43 -1.83 -1.25 114.38 116.63 3ics h ARG 498 Ca 0.35 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3ics h ARG 498 Cb -0.10 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3ics h ARG 498 CO -0.07 0.39 0.00 -0.44 -1.51 0.00 0.00 179.97 178.34 3ics h ASP 499 N 0.31 0.00 -0.24 -3.80 3.32 -1.70 -3.33 116.42 110.98 3ics h ASP 499 Ca 0.07 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3ics h ASP 499 Cb 0.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 3ics h ASP 499 CO 0.01 0.00 -0.21 0.54 -1.72 0.00 0.00 179.24 177.86 3ics n ARG 500 N -3.08 1.77 -0.13 3.56 1.74 -0.51 -4.74 116.66 115.28 3ics n ARG 500 Ca 0.04 -3.21 0.11 0.00 -0.77 0.00 0.00 57.85 54.01 3ics n ARG 500 Cb 0.50 -1.75 0.45 0.00 -1.02 0.00 0.00 32.46 30.64 3ics n ARG 500 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3ics h LEU 501 N 1.00 0.47 -2.18 0.55 3.38 -1.57 -0.96 115.31 116.00 3ics h LEU 501 Ca 0.15 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3ics h LEU 501 Cb 1.44 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3ics h LEU 501 CO 0.26 0.28 0.23 -0.33 0.09 0.00 0.00 178.44 178.97 3ics h GLU 502 N 0.52 0.00 0.00 1.13 5.08 -1.90 -0.78 114.58 118.63 3ics h GLU 502 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3ics h GLU 502 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3ics h GLU 502 CO -0.10 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.84 3ics h GLU 503 N 0.00 0.00 -5.67 2.33 5.08 -1.56 -3.43 114.58 111.33 3ics h GLU 503 Ca 0.10 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.86 3ics h GLU 503 Cb 0.56 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.70 3ics h GLU 503 CO -0.00 0.00 0.31 0.08 -1.00 0.00 0.00 179.01 178.40 3ics s VAL 504 N -3.20 4.86 0.25 3.13 1.01 -0.30 -5.03 120.40 121.12 3ics s VAL 504 Ca 0.08 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 3ics s VAL 504 Cb 0.11 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 3ics s VAL 504 CO 0.55 -0.16 1.52 -2.16 0.00 0.00 0.00 175.10 174.85 3ics s PRO 505 N 2.79 4.20 0.14 2.72 0.04 -1.26 -4.94 135.00 138.70 3ics s PRO 505 Ca 0.30 2.42 0.23 0.00 0.04 0.00 0.00 61.00 63.99 3ics s PRO 505 Cb -0.15 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 3ics s PRO 505 CO 0.11 -0.53 0.97 0.28 0.04 0.00 0.00 177.00 177.87 3ics n VAL 506 N 2.56 0.45 0.77 -0.36 0.31 -1.26 -3.91 118.33 116.89 3ics n VAL 506 Ca 0.09 -0.48 0.09 0.00 -0.01 0.00 0.00 64.34 64.03 3ics n VAL 506 Cb 0.39 -0.20 0.27 0.00 -0.91 0.00 0.00 33.84 33.38 3ics n VAL 506 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3ics n ASP 507 N -2.48 2.30 -4.56 4.52 5.75 -1.26 -4.85 116.55 115.97 3ics n ASP 507 Ca -0.00 -1.89 -0.27 0.00 -0.01 0.00 0.00 54.79 52.62 3ics n ASP 507 Cb 0.53 -0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 40.30 3ics n ASP 507 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ics s LYS 508 N -1.56 2.01 -0.04 0.11 1.02 -1.25 -5.10 119.74 114.94 3ics s LYS 508 Ca 0.32 -1.27 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 3ics s LYS 508 Cb 0.17 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3ics s LYS 508 CO 0.24 0.44 1.24 -0.51 -0.92 0.00 0.00 175.35 175.84 3ics s ASP 509 N -2.77 7.01 -0.15 2.83 1.01 -1.26 -4.60 116.67 118.74 3ics s ASP 509 Ca 0.24 1.89 -0.09 0.00 0.71 0.00 0.00 52.55 55.30 3ics s ASP 509 Cb -0.09 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 3ics s ASP 509 CO 0.15 -0.61 0.15 -0.63 0.21 0.00 0.00 175.17 174.44 3ics s ILE 510 N 2.18 5.44 0.02 0.77 -1.09 0.55 -2.00 121.20 127.07 3ics s ILE 510 Ca 0.58 0.24 0.09 0.00 -2.23 0.00 0.00 60.65 59.33 3ics s ILE 510 Cb -0.26 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 3ics s ILE 510 CO 0.23 0.53 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.90 3ics s TYR 511 N -0.33 2.26 -0.03 3.97 1.51 0.11 -1.11 117.35 123.73 3ics s TYR 511 Ca 0.12 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 3ics s TYR 511 Cb -0.12 -1.39 -0.00 0.00 -0.11 0.00 0.00 41.96 40.34 3ics s TYR 511 CO 0.02 0.06 -0.15 0.42 -1.11 0.00 0.00 175.55 174.79 3ics s ILE 512 N -0.73 1.23 0.05 2.71 -1.09 -0.43 0.43 121.20 123.38 3ics s ILE 512 Ca 0.11 -0.62 0.04 0.00 -2.23 0.00 0.00 60.65 57.95 3ics s ILE 512 Cb -0.10 -1.06 -0.03 0.00 -1.58 0.00 0.00 42.46 39.70 3ics s ILE 512 CO 0.01 0.36 -0.12 0.28 -1.23 0.00 0.00 174.94 174.24 3ics s THR 513 N 0.01 0.89 0.00 2.92 -1.32 0.20 -0.68 115.64 117.67 3ics s THR 513 Ca -0.02 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 3ics s THR 513 Cb -0.10 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 3ics s THR 513 CO 0.01 -0.24 0.00 0.00 -2.21 0.00 0.00 174.62 172.18 3ics h GLN 515 N 0.00 -0.01 -0.00 0.00 5.75 -1.93 0.22 115.11 119.14 3ics h GLN 515 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3ics h GLN 515 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3ics h GLN 515 CO 0.00 0.84 -0.24 1.28 -2.65 0.00 0.00 178.83 178.06 3ics n LEU 516 N -4.66 0.41 0.00 -2.39 4.77 -1.26 -1.62 117.00 112.25 3ics n LEU 516 Ca -0.09 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3ics n LEU 516 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3ics n LEU 516 CO 0.31 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3ics n GLY 517 N 1.05 0.99 0.00 -0.72 0.00 -1.26 -3.99 105.19 101.25 3ics n GLY 517 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ics n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ics n ARG 519 N 0.00 0.00 -0.15 1.61 1.74 -1.26 -1.33 116.66 117.27 3ics n ARG 519 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3ics n ARG 519 Cb 0.00 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 31.60 3ics n ARG 519 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ics h GLY 520 N 0.00 0.94 0.97 -0.13 0.00 -1.92 -0.81 103.07 102.12 3ics h GLY 520 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 3ics h GLY 520 CO 0.00 0.53 0.20 -1.82 0.00 0.00 0.00 176.54 175.44 3ics h TYR 521 N 0.83 0.75 -0.62 5.60 3.20 -1.58 0.55 116.97 125.71 3ics h TYR 521 Ca 0.18 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3ics h TYR 521 Cb 0.34 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3ics h TYR 521 CO 0.02 0.63 0.35 0.28 -1.64 0.00 0.00 178.16 177.80 3ics h VAL 522 N 0.66 1.19 -0.48 1.81 2.07 -1.78 0.58 116.25 120.30 3ics h VAL 522 Ca 0.16 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3ics h VAL 522 Cb 0.19 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3ics h VAL 522 CO -0.01 0.21 0.32 0.00 0.02 0.00 0.00 177.57 178.10 3ics h ALA 523 N 1.17 0.61 -0.34 1.67 0.00 -0.97 -3.00 119.26 118.40 3ics h ALA 523 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ics h ALA 523 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ics h ALA 523 CO -0.04 0.06 0.20 0.00 0.00 0.00 0.00 179.25 179.47 3ics h ALA 524 N 1.18 0.44 0.00 0.00 0.00 -0.46 -0.61 119.26 119.80 3ics h ALA 524 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ics h ALA 524 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ics h ALA 524 CO -0.04 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.70 3ics n ARG 525 N -4.80 0.00 -0.44 0.00 5.12 0.16 -4.57 116.66 112.13 3ics n ARG 525 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3ics n ARG 525 Cb 0.06 -0.85 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 3ics n ARG 525 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3ics n LEU 527 N 0.26 0.00 0.00 0.55 4.77 -0.24 -4.66 117.00 117.69 3ics n LEU 527 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ics n LEU 527 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ics n LEU 527 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3ics n GLU 529 N 0.00 0.00 -0.02 3.23 -0.58 -1.26 -1.13 120.64 120.88 3ics n GLU 529 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 3ics n GLU 529 Cb 0.00 0.00 0.55 0.00 -0.57 0.00 0.00 31.44 31.42 3ics n GLU 529 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ics n LYS 530 N 0.00 1.57 0.00 3.49 4.76 -1.26 -4.94 118.16 121.78 3ics n LYS 530 Ca 0.00 -0.83 0.00 0.00 -2.87 0.00 0.00 58.31 54.61 3ics n LYS 530 Cb 0.00 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 3ics n LYS 530 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ics n GLY 531 N 1.13 1.02 3.87 0.72 0.00 -0.58 -5.08 105.19 106.26 3ics n GLY 531 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3ics n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ics s TYR 532 N -2.00 3.48 -0.53 1.61 1.51 -0.28 -5.04 117.35 116.10 3ics s TYR 532 Ca 0.00 0.92 -0.26 0.00 -1.01 0.00 0.00 57.07 56.72 3ics s TYR 532 Cb 0.00 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.60 3ics s TYR 532 CO 0.00 0.33 1.02 0.15 -1.11 0.00 0.00 175.55 175.93 3ics s LYS 533 N -2.53 3.45 0.03 -0.62 -0.14 -1.26 -4.87 119.74 113.79 3ics s LYS 533 Ca 0.44 0.02 0.02 0.00 -1.36 0.00 0.00 55.97 55.09 3ics s LYS 533 Cb -0.12 -4.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.00 3ics s LYS 533 CO 0.20 -1.47 -0.07 0.54 -0.76 0.00 0.00 175.35 173.79 3ics s VAL 534 N 4.20 0.53 0.02 3.17 0.11 -1.26 -0.33 120.40 126.85 3ics s VAL 534 Ca 0.36 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 3ics s VAL 534 Cb -0.10 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 3ics s VAL 534 CO 0.23 -0.20 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.14 3ics s LYS 535 N -1.10 0.80 -0.04 1.54 1.02 -0.26 -4.45 119.74 117.25 3ics s LYS 535 Ca -0.06 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.19 3ics s LYS 535 Cb -0.07 -0.76 -0.05 0.00 -0.52 0.00 0.00 37.83 36.42 3ics s LYS 535 CO 0.00 0.19 0.35 1.21 -0.92 0.00 0.00 175.35 176.18 3ics s ASN 536 N -0.89 6.70 -0.51 2.83 2.47 -0.42 -1.31 114.94 123.80 3ics s ASN 536 Ca 0.00 0.83 -0.26 0.00 0.42 0.00 0.00 52.86 53.85 3ics s ASN 536 Cb -0.07 -2.21 0.03 0.00 -1.45 0.00 0.00 41.25 37.55 3ics s ASN 536 CO 0.01 0.32 1.02 -0.69 -3.72 0.00 0.00 177.10 174.03 3ics s VAL 537 N -0.92 4.32 0.05 -5.21 1.01 0.15 -1.33 120.40 118.46 3ics s VAL 537 Ca 0.21 0.74 -0.33 0.00 0.00 0.00 0.00 61.98 62.61 3ics s VAL 537 Cb -0.15 -4.54 -0.11 0.00 0.00 0.00 0.00 36.38 31.57 3ics s VAL 537 CO 0.11 -1.03 1.82 -0.67 0.00 0.00 0.00 175.10 175.33 3ics n ASP 538 N 7.59 3.67 0.00 3.32 2.03 -0.32 -1.39 116.55 131.45 3ics n ASP 538 Ca 0.06 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.36 3ics n ASP 538 Cb 0.48 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 3ics n ASP 538 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ics n GLY 539 N 4.18 1.75 7.00 0.27 0.00 -1.25 -4.45 105.19 112.68 3ics n GLY 539 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ics n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ics n GLY 540 N -2.00 0.63 0.21 -0.02 0.00 -0.49 -3.03 105.19 100.50 3ics n GLY 540 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 3ics n GLY 540 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ics h PHE 541 N 0.00 0.54 -0.48 1.61 3.57 -0.20 -2.92 116.94 119.07 3ics h PHE 541 Ca 0.00 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.36 3ics h PHE 541 Cb 0.00 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3ics h PHE 541 CO 0.00 0.82 0.29 -0.22 -2.23 0.00 0.00 178.31 176.97 3ics h LYS 542 N 0.36 0.56 0.24 1.11 1.63 -1.42 0.40 116.57 119.45 3ics h LYS 542 Ca 0.02 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3ics h LYS 542 Cb 0.94 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 3ics h LYS 542 CO 0.08 0.37 -0.12 1.25 -3.45 0.00 0.00 179.45 177.58 3ics h LEU 543 N 0.57 -0.28 -0.56 5.20 5.85 -1.59 -2.44 115.31 122.07 3ics h LEU 543 Ca 0.19 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3ics h LEU 543 Cb 0.02 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 3ics h LEU 543 CO -0.09 -0.03 0.14 0.22 -0.34 0.00 0.00 178.44 178.34 3ics h TYR 544 N -0.52 0.23 -0.01 1.25 3.20 -1.26 -1.52 116.97 118.34 3ics h TYR 544 Ca -0.03 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3ics h TYR 544 Cb 0.39 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3ics h TYR 544 CO -0.01 0.01 -0.53 0.78 -1.64 0.00 0.00 178.16 176.77 3ics h GLY 545 N 0.29 0.04 0.91 1.82 0.00 -0.25 0.07 103.07 105.95 3ics h GLY 545 Ca 0.29 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 3ics h GLY 545 CO -0.35 0.04 -0.18 -0.84 0.00 0.00 0.00 176.54 175.21 3ics h THR 546 N 0.03 1.30 0.05 4.70 2.02 -0.84 -3.00 112.91 117.16 3ics h THR 546 Ca -0.00 -1.30 -0.28 0.00 0.77 0.00 0.00 66.41 65.60 3ics h THR 546 Cb 0.94 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 3ics h THR 546 CO 0.07 0.41 -1.47 1.62 0.37 0.00 0.00 175.52 176.52 3ics h VAL 547 N 0.36 1.17 -2.14 3.16 3.04 -1.16 -3.39 116.25 117.30 3ics h VAL 547 Ca 0.06 -2.91 -0.57 0.00 -1.01 0.00 0.00 66.70 62.26 3ics h VAL 547 Cb 0.71 2.65 -0.42 0.00 -2.01 0.00 0.00 31.29 32.23 3ics h VAL 547 CO 0.05 0.75 -0.74 0.18 -1.01 0.00 0.00 177.57 176.80 3ics n LEU 548 N -3.28 3.97 0.24 3.16 4.77 -0.00 -4.93 117.00 120.93 3ics n LEU 548 Ca -0.13 -5.51 0.10 0.00 -0.03 0.00 0.00 56.01 50.44 3ics n LEU 548 Cb 1.02 -0.36 0.62 0.00 -2.33 0.00 0.00 43.42 42.37 3ics n LEU 548 CO 0.47 2.32 0.92 1.55 -1.33 0.00 0.00 177.39 181.32 3ics h PRO 549 N 2.94 0.00 0.00 3.23 0.13 -1.73 -1.87 132.00 134.71 3ics h PRO 549 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ics h PRO 549 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 3ics h PRO 549 CO 0.77 0.17 0.00 0.93 -0.23 0.00 0.00 178.00 179.64 3ics h GLU 550 N 0.00 0.00 0.00 0.86 4.39 -1.91 -2.89 114.58 115.02 3ics h GLU 550 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ics h GLU 550 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3ics h GLU 550 CO 0.02 0.00 -0.59 0.54 -1.16 0.00 0.00 179.01 177.82 3ics n ARG 551 N -2.67 0.09 -1.67 2.33 1.74 -0.71 -4.93 116.66 110.84 3ics n ARG 551 Ca 0.02 0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.67 3ics n ARG 551 Cb 0.34 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3ics n ARG 551 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3ics n ILE 552 N -1.67 1.01 -4.57 0.55 5.41 -1.10 -4.56 119.36 114.44 3ics n ILE 552 Ca 0.05 -0.25 -0.33 0.00 1.00 0.00 0.00 62.75 63.21 3ics n ILE 552 Cb 0.37 -1.45 -0.11 0.00 -0.71 0.00 0.00 39.64 37.74 3ics n ILE 552 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3ics s VAL 553 N -0.13 3.72 -2.25 1.39 1.01 -1.26 -5.02 120.40 117.86 3ics s VAL 553 Ca 0.68 -0.54 0.18 0.00 0.00 0.00 0.00 61.98 62.29 3ics s VAL 553 Cb -0.65 -2.55 0.14 0.00 0.00 0.00 0.00 36.38 33.32 3ics s VAL 553 CO 0.50 0.54 1.07 -1.22 0.00 0.00 0.00 175.10 176.00