#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ics s GLY 1 N 0.00 2.59 0.36 0.00 0.00 -1.26 -5.04 107.32 103.98 3ics s GLY 1 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 44.72 44.43 3ics s GLY 1 CO 0.00 0.59 1.24 -1.35 0.00 0.00 0.00 173.10 173.59 3ics s SER 2 N -0.50 6.65 0.30 1.64 1.04 -1.26 -5.03 113.70 116.54 3ics s SER 2 Ca 0.29 2.54 0.03 0.00 0.48 0.00 0.00 55.95 59.29 3ics s SER 2 Cb -0.18 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.24 3ics s SER 2 CO 0.17 -0.60 0.07 0.00 0.98 0.00 0.00 173.24 173.85 3ics s ARG 3 N -2.00 1.57 -0.30 4.02 1.70 -1.26 -4.99 118.95 117.69 3ics s ARG 3 Ca 0.52 -1.87 -0.10 0.00 -0.47 0.00 0.00 55.73 53.82 3ics s ARG 3 Cb -0.36 -0.68 -0.02 0.00 -0.57 0.00 0.00 34.95 33.32 3ics s ARG 3 CO 0.47 -0.22 0.16 0.21 -1.08 0.00 0.00 175.30 174.84 3ics s LYS 4 N -3.93 3.53 -0.16 3.89 2.20 -1.26 -1.85 119.74 122.16 3ics s LYS 4 Ca 0.37 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 3ics s LYS 4 Cb 0.08 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3ics s LYS 4 CO 0.15 -0.34 -0.17 0.42 -0.36 0.00 0.00 175.35 175.05 3ics s ILE 5 N 1.66 2.48 -0.14 5.43 1.01 0.27 -0.41 121.20 131.50 3ics s ILE 5 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3ics s ILE 5 Cb -0.17 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 3ics s ILE 5 CO 0.07 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.70 3ics s VAL 6 N 0.89 2.76 -0.17 2.92 1.01 -0.17 -1.26 120.40 126.38 3ics s VAL 6 Ca -0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3ics s VAL 6 Cb -0.15 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3ics s VAL 6 CO -0.02 0.52 -0.08 -0.69 0.00 0.00 0.00 175.10 174.83 3ics s VAL 7 N 0.61 3.30 -0.32 2.92 1.01 0.94 -0.61 120.40 128.25 3ics s VAL 7 Ca -0.08 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3ics s VAL 7 Cb -0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3ics s VAL 7 CO 0.03 0.48 0.19 -0.69 0.00 0.00 0.00 175.10 175.11 3ics s VAL 8 N 0.81 4.89 0.00 2.92 1.01 0.60 -0.67 120.40 129.97 3ics s VAL 8 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3ics s VAL 8 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3ics s VAL 8 CO 0.01 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3ics n GLY 9 N 5.03 2.01 0.78 4.51 0.00 0.50 -0.39 105.19 117.64 3ics n GLY 9 Ca -0.13 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 44.56 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 2.60 4.71 0.00 -0.02 0.00 -1.26 -4.03 105.19 107.18 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 -1.03 0.00 0.18 1.61 0.31 -1.26 -0.30 118.33 117.84 3ics n VAL 11 Ca 0.24 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 3ics n VAL 11 Cb 0.87 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.73 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 0.32 -0.64 -0.05 3.52 0.00 -1.93 0.97 119.26 121.45 3ics h ALA 12 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3ics h ALA 12 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ics h ALA 12 CO 0.00 -0.90 -0.21 0.78 0.00 0.00 0.00 179.25 178.92 3ics h GLY 13 N -0.63 0.25 0.84 0.00 0.00 -1.88 -3.05 103.07 98.59 3ics h GLY 13 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3ics h GLY 13 CO -0.11 0.31 0.03 -1.33 0.00 0.00 0.00 176.54 175.44 3ics h GLY 14 N -0.32 0.39 1.16 4.60 0.00 -1.68 -2.20 103.07 105.02 3ics h GLY 14 Ca -0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3ics h GLY 14 CO 0.04 0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.83 3ics h ALA 15 N 0.83 0.90 -0.43 3.60 0.00 -0.96 -1.63 119.26 121.58 3ics h ALA 15 Ca 0.06 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3ics h ALA 15 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ics h ALA 15 CO 0.01 0.65 -0.14 0.66 0.00 0.00 0.00 179.25 180.43 3ics h SER 16 N 0.93 0.86 -0.50 0.00 4.64 -1.48 -2.45 113.55 115.54 3ics h SER 16 Ca 0.17 -0.38 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 3ics h SER 16 Cb 0.54 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3ics h SER 16 CO 0.03 1.04 -0.17 1.62 -0.87 0.00 0.00 176.83 178.48 3ics h VAL 17 N 0.67 1.27 -0.51 0.95 3.04 -1.38 -3.02 116.25 117.27 3ics h VAL 17 Ca 0.10 -1.33 -0.03 0.00 -1.01 0.00 0.00 66.70 64.44 3ics h VAL 17 Cb 0.68 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 3ics h VAL 17 CO 0.05 0.46 0.22 0.00 -1.01 0.00 0.00 177.57 177.29 3ics h ALA 18 N 0.89 0.66 -0.37 3.17 0.00 -1.20 -0.67 119.26 121.75 3ics h ALA 18 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ics h ALA 18 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ics h ALA 18 CO 0.06 0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.62 3ics h ALA 19 N 1.07 0.49 -0.29 0.00 0.00 -1.50 -1.93 119.26 117.09 3ics h ALA 19 Ca 0.17 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3ics h ALA 19 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ics h ALA 19 CO -0.02 0.20 -0.49 -0.09 0.00 0.00 0.00 179.25 178.86 3ics h ARG 20 N 0.45 0.80 -0.74 0.00 9.65 -1.45 -2.24 114.38 120.85 3ics h ARG 20 Ca 0.11 -0.47 0.12 0.00 -1.10 0.00 0.00 59.98 58.64 3ics h ARG 20 Cb 0.38 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.91 3ics h ARG 20 CO 0.01 1.10 0.33 -0.07 2.80 0.00 0.00 179.97 184.15 3ics h LEU 21 N 0.63 0.38 -0.61 3.80 3.38 -1.02 -0.45 115.31 121.42 3ics h LEU 21 Ca 0.03 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3ics h LEU 21 Cb 1.07 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3ics h LEU 21 CO 0.11 0.18 0.03 -0.09 0.09 0.00 0.00 178.44 178.77 3ics h ARG 22 N 0.53 1.05 0.00 1.13 9.65 -1.21 -2.21 114.38 123.31 3ics h ARG 22 Ca 0.39 -0.32 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3ics h ARG 22 Cb 0.51 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3ics h ARG 22 CO -0.34 1.01 -0.04 0.00 2.80 0.00 0.00 179.97 183.40 3ics h ARG 23 N 0.95 0.00 0.00 0.20 3.08 -0.70 -2.51 114.38 115.40 3ics h ARG 23 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3ics h ARG 23 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3ics h ARG 23 CO 0.02 0.04 -0.95 -0.07 -1.07 0.00 0.00 179.97 177.94 3ics h LEU 24 N 0.00 0.00 -7.05 3.04 3.38 -0.66 -3.47 115.31 110.55 3ics h LEU 24 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ics h LEU 24 Cb 0.19 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.72 3ics h LEU 24 CO 0.01 0.01 -0.08 -0.55 0.09 0.00 0.00 178.44 177.92 3ics s SER 25 N -5.32 -0.86 0.23 -0.43 0.15 -0.87 -5.02 113.70 101.57 3ics s SER 25 Ca 0.00 1.38 0.24 0.00 0.70 0.00 0.00 55.95 58.26 3ics s SER 25 Cb 0.10 1.36 0.32 0.00 -1.71 0.00 0.00 66.02 66.09 3ics s SER 25 CO 0.78 -0.23 1.38 -0.33 1.20 0.00 0.00 173.24 176.04 3ics h GLU 26 N 7.18 0.00 0.00 5.44 4.39 -1.88 -3.37 114.58 126.34 3ics h GLU 26 Ca -0.30 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.26 3ics h GLU 26 Cb 1.20 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 3ics h GLU 26 CO 0.18 0.00 -1.59 -1.91 -1.16 0.00 0.00 179.01 174.53 3ics n GLU 27 N -2.52 0.63 -1.82 2.33 4.07 -1.26 -4.94 120.64 117.14 3ics n GLU 27 Ca 0.03 0.11 -0.40 0.00 -0.06 0.00 0.00 57.16 56.84 3ics n GLU 27 Cb 0.49 -1.73 0.01 0.00 -0.06 0.00 0.00 31.44 30.16 3ics n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3ics s ASP 28 N -5.48 5.97 -0.20 4.31 1.01 -1.26 -4.79 116.67 116.22 3ics s ASP 28 Ca -0.04 2.92 -0.22 0.00 0.71 0.00 0.00 52.55 55.92 3ics s ASP 28 Cb 0.09 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3ics s ASP 28 CO 0.83 -1.11 0.70 -0.70 0.21 0.00 0.00 175.17 175.09 3ics s GLU 29 N -2.38 4.21 -0.19 8.23 2.12 -0.77 -4.99 118.70 124.92 3ics s GLU 29 Ca 0.60 0.73 0.01 0.00 0.36 0.00 0.00 54.97 56.67 3ics s GLU 29 Cb -0.44 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.39 3ics s GLU 29 CO 0.57 -0.31 -0.14 0.42 -0.54 0.00 0.00 175.26 175.26 3ics s ILE 30 N 2.14 1.82 0.33 -3.70 1.01 -1.26 -0.57 121.20 120.98 3ics s ILE 30 Ca 0.31 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3ics s ILE 30 Cb -0.16 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3ics s ILE 30 CO 0.10 0.29 0.11 -0.38 0.00 0.00 0.00 174.94 175.07 3ics n ILE 31 N 4.64 0.00 -3.35 2.92 5.41 -0.39 -1.14 119.36 127.46 3ics n ILE 31 Ca -0.17 -1.45 0.03 0.00 1.00 0.00 0.00 62.75 62.16 3ics n ILE 31 Cb 0.47 0.08 -0.05 0.00 -0.71 0.00 0.00 39.64 39.44 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 -1.96 -0.04 -0.05 1.39 1.01 0.15 -0.04 120.40 120.86 3ics s VAL 33 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3ics s VAL 33 Cb -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3ics s VAL 33 CO 0.05 0.00 -0.03 -0.70 0.00 0.00 0.00 175.10 174.42 3ics s GLU 34 N 1.70 0.73 0.22 2.72 2.56 -0.06 -0.37 118.70 126.20 3ics s GLU 34 Ca -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 54.97 55.01 3ics s GLU 34 Cb -0.01 -0.81 -0.01 0.00 2.00 0.00 0.00 34.13 35.30 3ics s GLU 34 CO -0.14 -0.11 1.40 0.07 -0.56 0.00 0.00 175.26 175.91 3ics h ARG 35 N 7.33 0.00 0.00 4.30 0.11 -1.78 0.01 114.38 124.35 3ics h ARG 35 Ca -0.36 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.44 3ics h ARG 35 Cb 1.15 0.00 0.11 0.00 1.11 0.00 0.00 29.97 32.34 3ics h ARG 35 CO 0.45 0.71 0.27 0.41 0.10 0.00 0.00 179.97 181.91 3ics n GLY 36 N 1.19 -1.38 0.14 0.08 0.00 -1.26 -3.47 105.19 100.50 3ics n GLY 36 Ca 0.01 -1.69 0.04 0.00 0.00 0.00 0.00 46.02 44.38 3ics n GLY 36 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ics h GLU 37 N 0.00 0.00 -6.56 1.61 4.81 -1.94 0.25 114.58 112.75 3ics h GLU 37 Ca -0.28 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.28 3ics h GLU 37 Cb 0.77 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.88 3ics h GLU 37 CO 0.20 0.35 -0.87 0.71 -0.73 0.00 0.00 179.01 178.66 3ics s TYR 38 N -3.02 2.20 0.20 0.92 2.02 -1.26 -4.77 117.35 113.64 3ics s TYR 38 Ca 0.03 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 3ics s TYR 38 Cb 0.07 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 3ics s TYR 38 CO 0.75 0.09 0.27 0.96 -1.57 0.00 0.00 175.55 176.05 3ics s ILE 39 N -0.77 4.98 -1.57 2.71 -4.36 -1.26 -4.71 121.20 116.21 3ics s ILE 39 Ca 0.11 -1.01 -0.02 0.00 -0.26 0.00 0.00 60.65 59.47 3ics s ILE 39 Cb -0.10 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 40.00 3ics s ILE 39 CO 0.02 -0.23 0.06 -1.20 0.24 0.00 0.00 174.94 173.82 3ics n SER 40 N -0.95 0.71 -4.89 4.36 7.64 0.59 -4.44 113.62 116.65 3ics n SER 40 Ca -0.08 -1.27 -0.30 0.00 1.01 0.00 0.00 58.87 58.23 3ics n SER 40 Cb 0.56 -1.62 0.02 0.00 -1.01 0.00 0.00 64.21 62.16 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 -4.29 3.48 -1.22 1.43 -0.12 -1.26 -1.54 117.98 114.45 3ics s PHE 41 Ca 0.07 1.05 -0.14 0.00 -0.05 0.00 0.00 56.93 57.85 3ics s PHE 41 Cb -0.04 -2.76 0.16 0.00 -0.63 0.00 0.00 43.02 39.76 3ics s PHE 41 CO 1.00 -0.79 1.48 0.00 -0.05 0.00 0.00 175.22 176.87 3ics n ALA 42 N -2.72 3.89 -0.32 1.99 0.00 0.88 -4.82 120.51 119.42 3ics n ALA 42 Ca 0.05 -4.21 0.17 0.00 0.00 0.00 0.00 53.44 49.45 3ics n ALA 42 Cb 0.56 -3.11 0.36 0.00 0.00 0.00 0.00 19.45 17.26 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 7.13 0.39 0.78 0.00 4.21 -1.90 -0.69 115.58 125.50 3ics h ASN 43 Ca 0.33 0.17 -0.04 0.00 1.21 0.00 0.00 56.30 57.97 3ics h ASN 43 Cb 0.86 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 3ics h ASN 43 CO 1.28 -0.03 -0.18 0.00 -1.29 0.00 0.00 177.43 177.20 3ics n GLY 45 N -0.08 -1.51 0.22 0.00 0.00 -0.27 -4.48 105.19 99.08 3ics n GLY 45 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.40 -1.18 0.99 3.38 -1.44 -1.10 115.31 115.56 3ics h LEU 46 Ca 0.00 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3ics h LEU 46 Cb 0.69 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 3ics h LEU 46 CO 0.00 -0.15 0.56 -0.65 0.09 0.00 0.00 178.44 178.29 3ics h PRO 47 N 0.05 1.05 0.00 1.13 0.11 -1.83 -2.07 132.00 130.45 3ics h PRO 47 Ca 0.29 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 3ics h PRO 47 Cb 0.46 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3ics h PRO 47 CO -0.55 0.70 -0.52 1.88 -0.21 0.00 0.00 178.00 179.30 3ics h TYR 48 N 1.08 0.00 -0.22 0.65 0.05 -1.52 -0.85 116.97 116.16 3ics h TYR 48 Ca 0.33 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.05 3ics h TYR 48 Cb -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3ics h TYR 48 CO -0.00 0.52 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.61 3ics h TYR 49 N 0.00 0.53 -0.80 4.88 3.20 -0.93 0.02 116.97 123.87 3ics h TYR 49 Ca -0.01 -0.13 0.10 0.00 3.14 0.00 0.00 58.73 61.84 3ics h TYR 49 Cb 0.95 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.02 3ics h TYR 49 CO 0.00 0.73 0.44 0.82 -1.64 0.00 0.00 178.16 178.51 3ics h ILE 50 N 0.18 0.88 0.00 1.81 2.04 -1.13 -2.13 117.51 119.15 3ics h ILE 50 Ca 0.05 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3ics h ILE 50 Cb 0.58 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3ics h ILE 50 CO 0.03 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.92 3ics n GLY 51 N -1.32 -1.25 1.93 5.37 0.00 -0.35 -4.89 105.19 104.69 3ics n GLY 51 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.50 0.62 0.15 -0.02 0.00 -0.80 -4.44 105.19 101.20 3ics n GLY 52 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 1.41 -3.59 1.61 2.07 -1.28 -3.38 116.25 113.08 3ics h VAL 53 Ca 0.00 -1.95 -0.64 0.00 0.82 0.00 0.00 66.70 64.93 3ics h VAL 53 Cb 0.00 2.43 -0.14 0.00 -1.52 0.00 0.00 31.29 32.06 3ics h VAL 53 CO 0.00 0.57 0.01 -0.63 0.02 0.00 0.00 177.57 177.54 3ics s ILE 54 N -3.42 4.99 -0.17 4.57 1.01 -0.48 -4.93 121.20 122.77 3ics s ILE 54 Ca -0.13 0.49 0.22 0.00 0.00 0.00 0.00 60.65 61.23 3ics s ILE 54 Cb 0.04 -3.98 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3ics s ILE 54 CO 0.82 -0.20 0.85 0.35 0.00 0.00 0.00 174.94 176.76 3ics n THR 55 N 5.43 0.43 -3.81 2.92 -2.24 -1.26 -4.27 114.28 111.49 3ics n THR 55 Ca -0.04 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.84 3ics n THR 55 Cb 0.49 -0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.36 3ics n THR 55 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ics s GLU 56 N -3.41 2.41 0.36 -0.78 2.12 -1.26 -4.97 118.70 113.18 3ics s GLU 56 Ca -0.03 -1.37 0.14 0.00 0.36 0.00 0.00 54.97 54.07 3ics s GLU 56 Cb 0.11 -3.40 0.99 0.00 0.26 0.00 0.00 34.13 32.09 3ics s GLU 56 CO 0.83 -0.76 1.76 -0.09 -0.54 0.00 0.00 175.26 176.46 3ics h ARG 57 N 8.11 0.48 0.00 4.30 2.43 -1.98 -0.88 114.38 126.84 3ics h ARG 57 Ca -0.20 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 3ics h ARG 57 Cb 1.07 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3ics h ARG 57 CO 0.61 0.32 -0.14 0.37 -1.51 0.00 0.00 179.97 179.62 3ics h GLN 58 N 0.50 0.00 0.00 0.20 5.75 -1.98 -1.51 115.11 118.07 3ics h GLN 58 Ca 0.60 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.10 3ics h GLN 58 Cb 1.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.89 3ics h GLN 58 CO -0.36 0.14 0.00 0.87 -2.65 0.00 0.00 178.83 176.83 3ics h LYS 59 N 0.00 0.00 0.00 1.69 1.57 -1.58 -1.91 116.57 116.34 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 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3ics h LYS 59 CO 0.02 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 3ics n LEU 60 N -2.80 0.65 -4.45 2.94 4.77 -0.57 -4.51 117.00 113.03 3ics n LEU 60 Ca -0.00 0.63 -0.44 0.00 -0.03 0.00 0.00 56.01 56.17 3ics n LEU 60 Cb 0.19 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3ics n LEU 60 CO 0.21 -0.42 0.49 -0.76 -1.33 0.00 0.00 177.39 175.59 3ics s LEU 61 N -4.36 4.79 0.10 2.23 1.43 -0.72 -0.08 118.68 122.07 3ics s LEU 61 Ca 0.06 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 52.13 3ics s LEU 61 Cb 0.10 -2.49 -0.13 0.00 0.03 0.00 0.00 46.19 43.70 3ics s LEU 61 CO 0.45 -1.08 1.34 0.58 0.23 0.00 0.00 176.35 177.87 3ics h VAL 62 N 5.92 1.28 -4.00 -1.59 2.07 -1.51 -3.44 116.25 114.99 3ics h VAL 62 Ca -0.28 -1.84 -0.39 0.00 0.82 0.00 0.00 66.70 65.01 3ics h VAL 62 Cb 1.09 1.86 -0.24 0.00 -1.52 0.00 0.00 31.29 32.47 3ics h VAL 62 CO 1.04 0.59 -0.77 -1.10 0.02 0.00 0.00 177.57 177.35 3ics s GLN 63 N -3.91 0.78 0.17 1.57 -1.52 -1.21 -5.08 119.66 110.47 3ics s GLN 63 Ca -0.11 -0.73 -0.02 0.00 -1.95 0.00 0.00 55.36 52.56 3ics s GLN 63 Cb 0.09 -0.74 -0.05 0.00 -0.22 0.00 0.00 33.01 32.09 3ics s GLN 63 CO 0.89 0.18 0.36 0.95 -0.25 0.00 0.00 175.29 177.42 3ics s THR 64 N -0.95 5.22 0.12 -0.19 -4.23 -1.26 -4.66 115.64 109.69 3ics s THR 64 Ca -0.01 -0.28 -0.22 0.00 -1.18 0.00 0.00 61.69 60.00 3ics s THR 64 Cb -0.08 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 3ics s THR 64 CO 0.01 -0.08 1.69 0.58 -0.54 0.00 0.00 174.62 176.28 3ics h VAL 65 N 1.73 0.74 -0.02 2.29 2.07 -1.94 -2.80 116.25 118.31 3ics h VAL 65 Ca -0.47 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3ics h VAL 65 Cb 1.18 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3ics h VAL 65 CO 0.70 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 177.84 3ics h GLU 66 N -0.10 -0.49 0.00 1.57 4.81 -1.99 -0.23 114.58 118.15 3ics h GLU 66 Ca 0.07 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ics h GLU 66 Cb 0.21 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3ics h GLU 66 CO -0.18 -0.33 0.00 0.54 -0.73 0.00 0.00 179.01 178.32 3ics n ARG 67 N -5.43 0.00 0.00 1.92 1.74 -1.06 -2.39 116.66 111.44 3ics n ARG 67 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3ics n ARG 67 Cb 0.35 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.26 0.00 0.05 0.55 3.41 -0.10 -0.97 113.62 116.82 3ics n SER 69 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3ics n SER 69 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.14 -0.32 4.33 1.63 -1.70 0.21 116.57 120.57 3ics h LYS 70 Ca 0.00 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 3ics h LYS 70 Cb 0.00 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 3ics h LYS 70 CO 0.00 0.21 0.07 -0.09 -3.45 0.00 0.00 179.45 176.19 3ics h ARG 71 N -0.51 0.18 -0.34 1.90 2.43 -1.31 -3.07 114.38 113.65 3ics h ARG 71 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ics h ARG 71 Cb 0.42 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3ics h ARG 71 CO 0.02 0.12 0.00 1.19 -1.51 0.00 0.00 179.97 179.79 3ics n PHE 72 N -5.08 1.16 -4.20 2.20 3.72 -1.24 -4.97 117.46 109.04 3ics n PHE 72 Ca 0.00 -0.81 -0.30 0.00 -0.05 0.00 0.00 57.45 56.30 3ics n PHE 72 Cb 0.14 -0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 38.27 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 -0.15 0.40 -4.84 4.37 5.15 0.56 -4.89 115.26 115.87 3ics n ASN 73 Ca 0.22 -1.20 -0.36 0.00 -0.60 0.00 0.00 54.58 52.64 3ics n ASN 73 Cb 0.92 -2.03 -0.07 0.00 -0.53 0.00 0.00 39.78 38.07 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 -7.26 4.34 -0.86 1.20 1.02 -0.20 -4.71 118.68 112.21 3ics s LEU 74 Ca 0.02 0.41 -0.22 0.00 0.02 0.00 0.00 54.13 54.35 3ics s LEU 74 Cb -0.01 -2.08 0.07 0.00 0.02 0.00 0.00 46.19 44.19 3ics s LEU 74 CO 0.97 0.35 1.21 -0.62 0.02 0.00 0.00 176.35 178.27 3ics s ASP 75 N -0.65 6.40 -0.22 2.29 -1.08 -0.29 -4.52 116.67 118.60 3ics s ASP 75 Ca 0.13 -1.33 -0.08 0.00 -0.52 0.00 0.00 52.55 50.75 3ics s ASP 75 Cb -0.12 -2.48 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 3ics s ASP 75 CO 0.02 -1.43 0.09 -0.63 0.52 0.00 0.00 175.17 173.75 3ics s ILE 76 N 4.25 4.76 -0.41 4.11 1.01 -1.26 -4.24 121.20 129.42 3ics s ILE 76 Ca 0.35 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.99 3ics s ILE 76 Cb -0.07 -3.19 0.12 0.00 0.01 0.00 0.00 42.46 39.33 3ics s ILE 76 CO -0.01 0.39 0.16 -0.13 0.00 0.00 0.00 174.94 175.35 3ics s ARG 77 N 0.94 1.51 0.75 2.79 0.52 -1.26 -5.03 118.95 119.17 3ics s ARG 77 Ca 0.05 -2.04 -0.09 0.00 -0.52 0.00 0.00 55.73 53.13 3ics s ARG 77 Cb -0.14 -2.93 0.07 0.00 0.52 0.00 0.00 34.95 32.47 3ics s ARG 77 CO 0.03 -1.04 1.09 0.14 0.02 0.00 0.00 175.30 175.54 3ics s VAL 78 N 0.51 2.15 -1.59 3.52 -7.23 -1.26 -0.88 120.40 115.62 3ics s VAL 78 Ca 0.14 -0.16 -0.16 0.00 -1.81 0.00 0.00 61.98 59.99 3ics s VAL 78 Cb -0.22 -3.00 0.12 0.00 0.56 0.00 0.00 36.38 33.85 3ics s VAL 78 CO -0.06 0.00 0.81 0.18 -0.31 0.00 0.00 175.10 175.72 3ics n LEU 79 N -3.09 -1.94 -3.80 1.32 4.77 0.88 -4.85 117.00 110.28 3ics n LEU 79 Ca 0.08 -0.84 -0.26 0.00 -0.03 0.00 0.00 56.01 54.96 3ics n LEU 79 Cb 0.61 -2.24 -0.17 0.00 -2.33 0.00 0.00 43.42 39.29 3ics n LEU 79 CO 0.54 0.33 -0.39 -0.44 -1.33 0.00 0.00 177.39 176.09 3ics s SER 80 N -3.19 2.41 -0.22 -1.43 0.01 -0.16 -0.96 113.70 110.15 3ics s SER 80 Ca 0.67 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 3ics s SER 80 Cb -0.36 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 3ics s SER 80 CO 0.83 -0.22 0.10 -0.70 0.41 0.00 0.00 173.24 173.65 3ics s GLU 81 N 1.82 3.91 -0.19 12.44 2.12 0.30 -2.63 118.70 136.48 3ics s GLU 81 Ca 0.02 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 3ics s GLU 81 Cb -0.15 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 3ics s GLU 81 CO -0.07 0.06 1.29 0.08 -0.54 0.00 0.00 175.26 176.08 3ics s VAL 82 N 0.98 4.22 -0.29 3.70 1.01 -1.26 0.07 120.40 128.83 3ics s VAL 82 Ca 0.05 1.46 0.15 0.00 0.00 0.00 0.00 61.98 63.65 3ics s VAL 82 Cb -0.14 -4.00 -0.21 0.00 0.00 0.00 0.00 36.38 32.03 3ics s VAL 82 CO 0.03 -0.20 0.46 1.33 0.00 0.00 0.00 175.10 176.73 3ics n VAL 83 N 5.54 0.00 -3.63 2.92 0.24 0.18 -4.98 118.33 118.61 3ics n VAL 83 Ca 0.14 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 3ics n VAL 83 Cb 0.45 0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 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 -2.83 0.79 -0.16 7.34 2.20 -1.22 -4.99 119.74 120.88 3ics s LYS 84 Ca -0.01 0.97 -0.07 0.00 -0.36 0.00 0.00 55.97 56.50 3ics s LYS 84 Cb 0.11 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 3ics s LYS 84 CO 0.64 -0.10 0.08 0.42 -0.36 0.00 0.00 175.35 176.02 3ics s ILE 85 N 0.46 4.93 -0.61 5.43 1.01 -1.26 -0.18 121.20 130.98 3ics s ILE 85 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3ics s ILE 85 Cb -0.05 -3.18 0.15 0.00 0.01 0.00 0.00 42.46 39.39 3ics s ILE 85 CO -0.01 0.51 0.39 0.20 0.00 0.00 0.00 174.94 176.03 3ics s ASN 86 N -0.12 4.83 0.14 3.58 0.01 0.02 -4.64 114.94 118.76 3ics s ASN 86 Ca 0.08 -3.10 -0.03 0.00 -0.71 0.00 0.00 52.86 49.09 3ics s ASN 86 Cb -0.12 -1.74 -0.06 0.00 0.41 0.00 0.00 41.25 39.74 3ics s ASN 86 CO 0.01 -0.26 1.33 0.07 -1.51 0.00 0.00 177.10 176.74 3ics h LYS 87 N 6.54 0.39 0.00 -0.60 2.10 -1.91 0.59 116.57 123.69 3ics h LYS 87 Ca -0.01 -0.40 -0.05 0.00 -2.00 0.00 0.00 60.65 58.18 3ics h LYS 87 Cb 0.89 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 3ics h LYS 87 CO 0.71 1.07 -0.26 1.05 -2.00 0.00 0.00 179.45 180.02 3ics h GLU 88 N 0.23 0.00 0.00 0.07 9.09 -1.94 -2.85 114.58 119.18 3ics h GLU 88 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 3ics h GLU 88 Cb 1.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.62 3ics h GLU 88 CO 0.15 0.26 -0.74 1.49 0.05 0.00 0.00 179.01 180.22 3ics h GLU 89 N 0.00 0.00 -5.87 1.06 4.81 -1.94 -3.48 114.58 109.16 3ics h GLU 89 Ca -0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.85 3ics h GLU 89 Cb 0.96 0.00 0.11 0.00 0.63 0.00 0.00 28.75 30.45 3ics h GLU 89 CO 0.03 0.00 -0.80 1.63 -0.73 0.00 0.00 179.01 179.14 3ics n LYS 90 N -2.64 -5.73 -4.18 1.92 5.02 0.16 -4.94 118.16 107.77 3ics n LYS 90 Ca 0.01 0.73 -0.11 0.00 -2.02 0.00 0.00 58.31 56.92 3ics n LYS 90 Cb 0.52 -5.51 -0.10 0.00 -0.02 0.00 0.00 35.03 29.92 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 -3.52 0.76 0.20 -0.18 -4.23 -0.92 -1.48 115.64 106.27 3ics s THR 91 Ca 0.00 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 3ics s THR 91 Cb -0.00 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 3ics s THR 91 CO 0.77 -0.83 -0.17 0.27 -0.54 0.00 0.00 174.62 174.12 3ics s ILE 92 N -3.49 2.74 -0.21 2.99 -4.36 -0.13 -0.80 121.20 117.95 3ics s ILE 92 Ca 0.12 -1.91 -0.09 0.00 -0.26 0.00 0.00 60.65 58.51 3ics s ILE 92 Cb 0.04 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 3ics s ILE 92 CO -0.04 -0.15 0.10 -0.89 0.24 0.00 0.00 174.94 174.20 3ics s THR 93 N -1.78 4.96 -0.05 8.37 2.01 0.75 -0.36 115.64 129.53 3ics s THR 93 Ca 0.24 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.32 3ics s THR 93 Cb -0.08 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 3ics s THR 93 CO 0.13 0.41 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.62 3ics s ILE 94 N 0.71 2.38 -0.23 1.82 1.01 0.87 -0.64 121.20 127.11 3ics s ILE 94 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 3ics s ILE 94 Cb -0.13 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3ics s ILE 94 CO 0.02 0.57 0.01 -0.75 0.00 0.00 0.00 174.94 174.79 3ics s LYS 95 N -0.39 3.48 -0.32 2.79 2.20 0.11 -1.11 119.74 126.51 3ics s LYS 95 Ca 0.03 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 3ics s LYS 95 Cb -0.12 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 3ics s LYS 95 CO 0.02 -0.20 1.50 1.21 -0.36 0.00 0.00 175.35 177.51 3ics s ASN 96 N 1.54 6.37 0.31 1.43 3.84 0.53 -0.53 114.94 128.42 3ics s ASN 96 Ca 0.06 1.22 0.08 0.00 0.21 0.00 0.00 52.86 54.43 3ics s ASN 96 Cb -0.15 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.51 3ics s ASN 96 CO -0.00 -1.33 1.71 0.58 -2.79 0.00 0.00 177.10 175.27 3ics h VAL 97 N 6.29 1.32 0.32 -5.21 2.07 -1.35 0.14 116.25 119.83 3ics h VAL 97 Ca -0.30 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 3ics h VAL 97 Cb 1.13 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3ics h VAL 97 CO 1.04 0.46 -0.16 0.74 0.02 0.00 0.00 177.57 179.67 3ics h THR 98 N 0.13 0.59 0.00 2.57 2.02 -1.91 -3.35 112.91 112.97 3ics h THR 98 Ca 0.01 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3ics h THR 98 Cb 0.83 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3ics h THR 98 CO 0.06 0.12 -0.65 0.35 0.37 0.00 0.00 175.52 175.77 3ics n THR 99 N -5.11 0.01 -0.90 3.16 -2.24 -1.22 -4.96 114.28 103.03 3ics n THR 99 Ca -0.09 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3ics n THR 99 Cb 0.27 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.53 -3.56 -4.76 3.42 3.02 0.49 -4.99 115.26 107.34 3ics n ASN 100 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 3ics n ASN 100 Cb 0.34 -2.30 -0.04 0.00 -0.61 0.00 0.00 39.78 37.17 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 -1.16 4.63 0.13 3.52 -1.05 -1.24 -4.81 118.70 118.72 3ics s GLU 101 Ca 0.00 1.80 0.10 0.00 -0.15 0.00 0.00 54.97 56.72 3ics s GLU 101 Cb 0.00 -3.18 -0.04 0.00 -0.44 0.00 0.00 34.13 30.47 3ics s GLU 101 CO 0.00 0.21 -0.25 0.95 0.95 0.00 0.00 175.26 177.12 3ics s THR 102 N -1.17 2.10 0.21 1.83 -4.23 -1.26 -0.34 115.64 112.77 3ics s THR 102 Ca 0.45 -1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 59.03 3ics s THR 102 Cb -0.32 -1.88 0.04 0.00 1.34 0.00 0.00 72.50 71.68 3ics s THR 102 CO 0.41 0.01 0.61 -0.72 -0.54 0.00 0.00 174.62 174.39 3ics s TYR 103 N -1.18 -0.25 -0.13 3.99 -0.85 -0.27 -4.98 117.35 113.68 3ics s TYR 103 Ca 0.12 -0.09 -0.06 0.00 -0.52 0.00 0.00 57.07 56.53 3ics s TYR 103 Cb -0.10 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 3ics s TYR 103 CO 0.06 -1.01 0.08 -0.80 -1.52 0.00 0.00 175.55 172.37 3ics s ASN 104 N -2.86 5.88 -0.19 -0.18 0.01 -1.26 -0.09 114.94 116.25 3ics s ASN 104 Ca 0.08 0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.51 3ics s ASN 104 Cb -0.03 -1.88 0.03 0.00 0.41 0.00 0.00 41.25 39.78 3ics s ASN 104 CO -0.02 0.33 -0.15 -0.70 -1.51 0.00 0.00 177.10 175.04 3ics s GLU 105 N -0.56 2.53 0.45 -0.60 2.56 0.51 -4.94 118.70 118.65 3ics s GLU 105 Ca 0.11 -0.86 -0.23 0.00 0.00 0.00 0.00 54.97 53.99 3ics s GLU 105 Cb -0.12 -2.50 -0.08 0.00 2.00 0.00 0.00 34.13 33.44 3ics s GLU 105 CO 0.02 -0.32 1.11 0.00 -0.56 0.00 0.00 175.26 175.51 3ics s ALA 106 N 1.32 2.98 0.05 6.30 0.00 -1.26 -0.95 121.76 130.19 3ics s ALA 106 Ca 0.01 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.79 3ics s ALA 106 Cb -0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3ics s ALA 106 CO -0.10 -0.47 -0.05 1.52 0.00 0.00 0.00 175.76 176.65 3ics s TYR 107 N -1.65 0.54 -0.18 0.00 1.13 -0.55 -4.93 117.35 111.72 3ics s TYR 107 Ca 0.63 -0.68 -0.02 0.00 -1.41 0.00 0.00 57.07 55.58 3ics s TYR 107 Cb -0.25 -0.35 -0.22 0.00 -1.10 0.00 0.00 41.96 40.05 3ics s TYR 107 CO 0.30 -0.19 0.11 -0.25 -2.51 0.00 0.00 175.55 173.01 3ics n ASP 108 N 1.01 2.01 -4.02 -0.18 8.00 0.46 -4.81 116.55 119.01 3ics n ASP 108 Ca -0.20 0.06 -0.23 0.00 0.71 0.00 0.00 54.79 55.13 3ics n ASP 108 Cb 0.57 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.89 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 -2.54 1.00 -0.11 2.53 1.01 -0.88 -4.86 120.40 116.54 3ics s VAL 109 Ca -0.27 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3ics s VAL 109 Cb 0.08 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3ics s VAL 109 CO 0.70 0.31 -0.18 -0.22 0.00 0.00 0.00 175.10 175.70 3ics s LEU 110 N 0.41 2.41 -0.16 3.92 2.96 -0.24 -1.00 118.68 126.97 3ics s LEU 110 Ca -0.08 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3ics s LEU 110 Cb -0.12 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.07 3ics s LEU 110 CO 0.02 0.17 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.39 3ics s ILE 111 N 0.32 1.99 -0.31 6.68 1.01 0.22 -0.09 121.20 131.03 3ics s ILE 111 Ca -0.14 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 3ics s ILE 111 Cb -0.17 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3ics s ILE 111 CO 0.07 0.53 0.21 -0.76 0.00 0.00 0.00 174.94 174.99 3ics s LEU 112 N 1.18 4.23 -0.42 2.97 1.43 0.66 -0.29 118.68 128.43 3ics s LEU 112 Ca 0.02 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 3ics s LEU 112 Cb -0.14 -2.12 0.31 0.00 0.03 0.00 0.00 46.19 44.28 3ics s LEU 112 CO -0.10 -0.13 0.70 -0.24 0.23 0.00 0.00 176.35 176.81 3ics n SER 113 N 5.07 1.32 -0.29 2.29 2.88 0.48 -1.06 113.62 124.31 3ics n SER 113 Ca -0.13 -3.04 0.13 0.00 -1.33 0.00 0.00 58.87 54.50 3ics n SER 113 Cb 0.51 -0.62 0.39 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.57 0.99 0.00 -1.46 -0.04 -1.24 -4.32 135.00 129.50 3ics n PRO 114 Ca 0.25 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 3ics n PRO 114 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.31 -0.35 2.91 0.55 0.00 -1.26 -4.75 105.19 103.61 3ics n GLY 115 Ca 0.13 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.10 0.05 0.09 4.61 0.00 -1.26 -0.81 121.76 123.34 3ics s ALA 116 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3ics s ALA 116 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3ics s ALA 116 CO 0.00 -0.05 0.14 -1.59 0.00 0.00 0.00 175.76 174.26 3ics s LYS 117 N -0.52 3.09 0.44 0.00 -2.85 -0.27 -4.85 119.74 114.78 3ics s LYS 117 Ca -0.06 -0.64 -0.26 0.00 -1.00 0.00 0.00 55.97 54.01 3ics s LYS 117 Cb -0.04 -2.82 -0.09 0.00 -2.06 0.00 0.00 37.83 32.82 3ics s LYS 117 CO -0.00 0.56 1.44 -1.25 0.10 0.00 0.00 175.35 176.20 3ics s PRO 118 N -2.61 3.77 -0.11 1.78 0.04 -1.26 -1.04 135.00 135.56 3ics s PRO 118 Ca 0.32 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 63.52 3ics s PRO 118 Cb -0.12 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 3ics s PRO 118 CO 0.24 -0.77 1.18 0.42 0.04 0.00 0.00 177.00 178.11 3ics s ILE 119 N -1.18 4.38 -0.34 0.56 1.01 -0.59 -4.79 121.20 120.25 3ics s ILE 119 Ca 0.59 1.68 -0.06 0.00 0.00 0.00 0.00 60.65 62.86 3ics s ILE 119 Cb -0.44 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 37.98 3ics s ILE 119 CO 0.58 -0.06 0.10 -0.69 0.00 0.00 0.00 174.94 174.88 3ics s VAL 120 N 2.65 3.79 0.51 2.92 1.01 -1.26 -4.63 120.40 125.39 3ics s VAL 120 Ca 0.53 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 3ics s VAL 120 Cb -0.22 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 3ics s VAL 120 CO 0.18 -0.17 1.02 -2.16 0.00 0.00 0.00 175.10 173.97 3ics s PRO 121 N 1.41 3.76 -1.19 2.72 0.04 -1.26 -4.96 135.00 135.51 3ics s PRO 121 Ca -0.02 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 3ics s PRO 121 Cb -0.19 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.34 3ics s PRO 121 CO 0.03 -0.45 1.57 0.45 0.04 0.00 0.00 177.00 178.64 3ics s SER 122 N -2.35 6.79 -0.18 6.66 0.15 -1.26 -4.96 113.70 118.55 3ics s SER 122 Ca 0.65 -2.30 -0.11 0.00 0.70 0.00 0.00 55.95 54.89 3ics s SER 122 Cb -0.14 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 3ics s SER 122 CO 0.25 -1.16 0.17 -0.63 1.20 0.00 0.00 173.24 173.07 3ics s ILE 123 N 3.79 5.39 0.24 6.45 1.01 -1.26 -5.06 121.20 131.76 3ics s ILE 123 Ca 0.49 0.28 -0.31 0.00 0.00 0.00 0.00 60.65 61.11 3ics s ILE 123 Cb 0.01 -3.50 -0.12 0.00 0.01 0.00 0.00 42.46 38.86 3ics s ILE 123 CO 0.01 0.45 1.65 -2.16 0.00 0.00 0.00 174.94 174.89 3ics s PRO 124 N 0.23 4.13 0.00 2.79 0.04 -1.26 -2.01 135.00 138.92 3ics s PRO 124 Ca 0.11 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.72 3ics s PRO 124 Cb -0.12 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3ics s PRO 124 CO 0.00 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3ics n GLY 125 N 3.18 0.88 0.22 0.56 0.00 -1.26 -1.21 105.19 107.56 3ics n GLY 125 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 1.21 -0.27 -0.61 2.10 -1.68 -2.29 117.51 115.97 3ics h ILE 126 Ca 0.00 -0.98 -0.10 0.00 1.08 0.00 0.00 64.86 64.86 3ics h ILE 126 Cb 0.00 1.37 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 3ics h ILE 126 CO 0.00 0.30 -0.25 -0.33 -1.08 0.00 0.00 178.15 176.78 3ics h GLU 127 N 0.18 0.53 -0.00 2.19 3.07 -1.93 -2.88 114.58 115.74 3ics h GLU 127 Ca 0.03 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 3ics h GLU 127 Cb 0.50 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3ics h GLU 127 CO 0.03 0.74 -0.10 0.39 -1.40 0.00 0.00 179.01 178.68 3ics n GLU 128 N -4.11 0.04 -2.22 2.33 4.71 -0.92 -4.81 120.64 115.65 3ics n GLU 128 Ca -0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.73 3ics n GLU 128 Cb 0.41 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.32 3ics n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ics s ALA 129 N -2.97 2.58 0.16 0.62 0.00 -0.91 -4.52 121.76 116.72 3ics s ALA 129 Ca 0.14 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 3ics s ALA 129 Cb 0.19 -4.18 0.03 0.00 0.00 0.00 0.00 23.12 19.16 3ics s ALA 129 CO 0.56 -3.28 1.62 0.87 0.00 0.00 0.00 175.76 175.53 3ics h LYS 130 N 12.63 0.92 -1.00 0.00 1.57 -1.80 -3.27 116.57 125.63 3ics h LYS 130 Ca -0.27 -0.28 -0.63 0.00 -1.87 0.00 0.00 60.65 57.59 3ics h LYS 130 Cb 1.12 -0.09 -0.35 0.00 0.08 0.00 0.00 32.23 32.99 3ics h LYS 130 CO 1.18 0.93 0.10 0.00 -0.57 0.00 0.00 179.45 181.09 3ics n ALA 131 N -2.44 5.74 -2.84 3.86 0.00 -1.26 -4.95 120.51 118.61 3ics n ALA 131 Ca 0.02 -3.70 -0.34 0.00 0.00 0.00 0.00 53.44 49.41 3ics n ALA 131 Cb 0.31 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 -3.74 3.76 0.01 0.00 1.98 -1.24 0.68 118.68 120.14 3ics s LEU 132 Ca 0.57 0.06 0.02 0.00 -2.89 0.00 0.00 54.13 51.89 3ics s LEU 132 Cb 0.46 -1.95 -0.01 0.00 0.66 0.00 0.00 46.19 45.35 3ics s LEU 132 CO -0.03 0.17 -0.07 -0.36 -1.89 0.00 0.00 176.35 174.17 3ics s PHE 133 N 0.40 0.65 0.30 5.38 0.40 0.54 -4.96 117.98 120.68 3ics s PHE 133 Ca 0.02 -0.22 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 3ics s PHE 133 Cb -0.13 -0.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 3ics s PHE 133 CO 0.01 -0.02 0.21 0.95 0.70 0.00 0.00 175.22 177.06 3ics s THR 134 N -0.51 3.80 -0.22 0.64 -4.23 -1.26 0.07 115.64 113.92 3ics s THR 134 Ca -0.01 -1.47 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3ics s THR 134 Cb -0.05 -3.21 0.06 0.00 1.34 0.00 0.00 72.50 70.64 3ics s THR 134 CO 0.00 -0.26 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.57 3ics s LEU 135 N -3.89 2.18 0.00 4.79 2.96 -1.26 -4.84 118.68 118.62 3ics s LEU 135 Ca 0.37 -1.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 3ics s LEU 135 Cb -0.06 -1.02 0.00 0.00 0.50 0.00 0.00 46.19 45.61 3ics s LEU 135 CO 0.25 -0.25 0.00 -1.14 -1.32 0.00 0.00 176.35 173.89 3ics n ARG 136 N 4.77 0.00 -2.58 1.98 0.63 -1.26 -4.94 116.66 115.27 3ics n ARG 136 Ca -0.11 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.75 3ics n ARG 136 Cb 0.45 -0.37 -0.02 0.00 0.45 0.00 0.00 32.46 32.97 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 -2.55 1.41 0.01 6.15 0.23 -1.26 -4.90 115.26 114.35 3ics n ASN 137 Ca 0.00 -1.51 -0.13 0.00 -0.53 0.00 0.00 54.58 52.41 3ics n ASN 137 Cb 0.24 0.19 -0.09 0.00 -2.08 0.00 0.00 39.78 38.05 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 1.13 1.24 -0.99 3.53 2.07 -1.99 -2.36 116.25 118.88 3ics h VAL 138 Ca -0.08 -0.78 0.17 0.00 0.82 0.00 0.00 66.70 66.83 3ics h VAL 138 Cb 0.29 1.77 -0.10 0.00 -1.52 0.00 0.00 31.29 31.73 3ics h VAL 138 CO 0.13 0.20 0.60 -0.65 0.02 0.00 0.00 177.57 177.87 3ics h PRO 139 N -0.36 0.78 -0.71 1.57 0.11 -1.99 0.11 132.00 131.52 3ics h PRO 139 Ca -0.00 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.12 3ics h PRO 139 Cb 0.34 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.22 3ics h PRO 139 CO 0.00 0.51 0.41 -0.44 -0.21 0.00 0.00 178.00 178.28 3ics h ASP 140 N 0.80 0.62 -0.02 -2.05 3.32 -1.86 -1.43 116.42 115.80 3ics h ASP 140 Ca 0.55 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.63 3ics h ASP 140 Cb 0.80 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3ics h ASP 140 CO -0.36 0.40 -0.00 0.74 -1.72 0.00 0.00 179.24 178.30 3ics h THR 141 N 0.76 1.27 -0.57 0.35 2.02 -0.65 -1.79 112.91 114.29 3ics h THR 141 Ca 0.31 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 66.80 3ics h THR 141 Cb 0.17 1.77 -0.08 0.00 -1.74 0.00 0.00 68.15 68.27 3ics h THR 141 CO -0.17 0.21 0.11 0.44 0.37 0.00 0.00 175.52 176.48 3ics h ASP 142 N -0.29 -0.01 -0.23 4.18 3.32 -0.72 -0.15 116.42 122.52 3ics h ASP 142 Ca 0.01 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ics h ASP 142 Cb 0.34 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3ics h ASP 142 CO 0.00 0.01 0.14 -0.09 -1.72 0.00 0.00 179.24 177.58 3ics h ARG 143 N 0.25 0.32 -0.31 3.56 2.43 -1.11 0.25 114.38 119.77 3ics h ARG 143 Ca 0.29 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3ics h ARG 143 Cb 0.43 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3ics h ARG 143 CO -0.38 0.27 0.11 0.82 -1.51 0.00 0.00 179.97 179.28 3ics h ILE 144 N 0.28 1.19 -0.58 1.20 2.04 -1.10 -1.77 117.51 118.78 3ics h ILE 144 Ca 0.08 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 3ics h ILE 144 Cb 0.04 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3ics h ILE 144 CO -0.01 0.20 -0.01 0.50 0.00 0.00 0.00 178.15 178.83 3ics h LYS 145 N 0.34 1.01 -0.81 2.37 3.64 -0.81 -2.21 116.57 120.10 3ics h LYS 145 Ca 0.10 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 3ics h LYS 145 Cb 0.21 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3ics h LYS 145 CO -0.01 1.00 0.41 0.00 -2.27 0.00 0.00 179.45 178.59 3ics h ALA 146 N 1.05 1.05 -0.22 5.00 0.00 -0.41 -1.29 119.26 124.44 3ics h ALA 146 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ics h ALA 146 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ics h ALA 146 CO 0.03 0.59 0.09 -0.92 0.00 0.00 0.00 179.25 179.04 3ics h TYR 147 N 1.14 0.33 0.25 0.00 3.20 -1.04 -0.89 116.97 119.97 3ics h TYR 147 Ca 0.28 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3ics h TYR 147 Cb 0.08 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3ics h TYR 147 CO 0.01 0.36 -0.23 0.82 -1.64 0.00 0.00 178.16 177.48 3ics h ILE 148 N 0.21 0.50 -0.28 1.81 2.04 -1.21 0.27 117.51 120.85 3ics h ILE 148 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 3ics h ILE 148 Cb 0.17 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3ics h ILE 148 CO -0.01 0.00 0.06 0.44 0.00 0.00 0.00 178.15 178.64 3ics h ASP 149 N -0.51 0.36 0.03 1.72 3.32 -1.16 -1.71 116.42 118.47 3ics h ASP 149 Ca -0.01 -0.04 -0.39 0.00 0.02 0.00 0.00 57.03 56.61 3ics h ASP 149 Cb 0.47 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 3ics h ASP 149 CO -0.04 0.38 -2.27 -0.62 -1.72 0.00 0.00 179.24 174.96 3ics n GLU 150 N -4.37 0.65 0.00 3.56 1.02 -0.35 -4.56 120.64 116.60 3ics n GLU 150 Ca 0.01 0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 3ics n GLU 150 Cb 0.17 -1.58 0.13 0.00 -0.02 0.00 0.00 31.44 30.15 3ics n GLU 150 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ics n LYS 151 N -3.65 0.49 -3.68 3.49 4.76 0.93 -5.01 118.16 115.50 3ics n LYS 151 Ca -0.44 -0.35 -0.24 0.00 -2.87 0.00 0.00 58.31 54.41 3ics n LYS 151 Cb 0.95 -1.49 0.03 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 -0.95 -3.35 -1.73 1.97 4.76 -0.64 -4.91 118.16 113.31 3ics n LYS 152 Ca 0.08 0.57 -0.42 0.00 -2.87 0.00 0.00 58.31 55.67 3ics n LYS 152 Cb 0.37 -4.87 -0.00 0.00 -1.84 0.00 0.00 35.03 28.69 3ics n LYS 152 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3ics n PRO 153 N -4.15 2.35 -0.08 1.97 -0.04 -1.26 -4.92 135.00 128.89 3ics n PRO 153 Ca -0.22 0.83 -0.04 0.00 -0.04 0.00 0.00 63.50 64.03 3ics n PRO 153 Cb 0.65 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.45 3ics n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ics n ARG 154 N 0.43 0.68 -4.39 0.54 5.12 -1.26 -4.79 116.66 113.00 3ics n ARG 154 Ca 0.03 -0.06 -0.19 0.00 -1.93 0.00 0.00 57.85 55.70 3ics n ARG 154 Cb 0.38 -1.52 -0.14 0.00 -1.16 0.00 0.00 32.46 30.01 3ics n ARG 154 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3ics s HIS 155 N -2.77 0.91 0.02 -1.55 2.46 -1.26 -0.74 115.29 112.37 3ics s HIS 155 Ca -0.09 -0.21 0.06 0.00 0.47 0.00 0.00 55.06 55.29 3ics s HIS 155 Cb 0.08 -0.58 -0.02 0.00 -0.13 0.00 0.00 32.58 31.93 3ics s HIS 155 CO 0.85 -0.01 -0.17 0.00 -2.47 0.00 0.00 174.74 172.94 3ics s ALA 156 N -0.37 1.42 -0.17 1.58 0.00 0.85 -1.25 121.76 123.82 3ics s ALA 156 Ca 0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 3ics s ALA 156 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3ics s ALA 156 CO -0.00 0.32 -0.06 0.99 0.00 0.00 0.00 175.76 177.01 3ics s THR 157 N -0.66 3.53 -0.23 0.00 2.01 -1.26 -1.35 115.64 117.69 3ics s THR 157 Ca 0.05 -0.47 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 3ics s THR 157 Cb -0.08 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3ics s THR 157 CO 0.01 0.47 0.08 -0.69 -0.69 0.00 0.00 174.62 173.80 3ics s VAL 158 N 0.74 4.54 -0.37 3.82 1.01 0.35 -0.78 120.40 129.72 3ics s VAL 158 Ca -0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3ics s VAL 158 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3ics s VAL 158 CO 0.02 0.37 0.25 -0.63 0.00 0.00 0.00 175.10 175.11 3ics s ILE 159 N 1.20 5.09 0.00 2.22 1.01 0.41 -0.47 121.20 130.65 3ics s ILE 159 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3ics s ILE 159 Cb -0.14 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3ics s ILE 159 CO 0.04 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.43 3ics n GLY 160 N 5.10 1.98 2.06 6.18 0.00 0.14 -0.48 105.19 120.16 3ics n GLY 160 Ca -0.12 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 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 2.23 5.68 3.30 -0.02 0.00 -1.26 -4.24 105.19 110.88 3ics n GLY 161 Ca 0.00 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.93 -2.10 0.35 -0.02 0.00 -1.26 -4.59 105.19 96.64 3ics n GLY 162 Ca 0.53 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.15 1.07 -0.11 1.61 0.05 -1.96 -0.88 116.94 114.57 3ics h PHE 163 Ca -0.38 0.03 -0.17 0.00 3.82 0.00 0.00 57.97 61.28 3ics h PHE 163 Cb 1.09 -0.32 0.01 0.00 2.00 0.00 0.00 35.95 38.73 3ics h PHE 163 CO 0.00 0.27 -0.59 0.97 -0.18 0.00 0.00 178.31 178.78 3ics h ILE 164 N 0.79 1.34 -0.71 -0.55 -0.00 -1.94 -2.11 117.51 114.34 3ics h ILE 164 Ca 0.56 -1.88 0.08 0.00 -0.00 0.00 0.00 64.86 63.62 3ics h ILE 164 Cb 0.82 2.15 -0.06 0.00 -0.00 0.00 0.00 36.82 39.72 3ics h ILE 164 CO -0.36 0.57 0.38 1.23 -0.00 0.00 0.00 178.15 179.97 3ics h GLY 165 N 0.23 1.07 0.96 8.18 0.00 -1.64 -2.80 103.07 109.07 3ics h GLY 165 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3ics h GLY 165 CO 0.12 0.11 0.18 -2.08 0.00 0.00 0.00 176.54 174.87 3ics h VAL 166 N 0.67 1.21 0.00 4.60 2.07 -1.13 0.79 116.25 124.46 3ics h VAL 166 Ca 0.34 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ics h VAL 166 Cb 0.29 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3ics h VAL 166 CO -0.23 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 3ics n GLU 167 N -4.57 0.20 0.00 1.57 1.02 -0.80 -1.50 120.64 116.57 3ics n GLU 167 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3ics n GLU 167 Cb 0.16 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.83 0.00 -0.06 2.62 0.31 0.27 -1.78 118.33 120.52 3ics n VAL 169 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3ics n VAL 169 Cb 0.09 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.22 -0.10 5.55 4.81 -1.54 -2.03 114.58 121.49 3ics h GLU 170 Ca 0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3ics h GLU 170 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3ics h GLU 170 CO 0.00 0.15 -0.43 -0.91 -0.73 0.00 0.00 179.01 177.09 3ics h ASN 171 N 0.23 0.24 -0.08 1.04 2.35 -1.63 -0.07 115.58 117.67 3ics h ASN 171 Ca 0.10 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3ics h ASN 171 Cb 0.05 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3ics h ASN 171 CO -0.09 0.65 0.00 -0.07 -1.65 0.00 0.00 177.43 176.27 3ics h LEU 172 N 0.19 0.13 -0.80 1.61 3.38 -1.79 -2.78 115.31 115.25 3ics h LEU 172 Ca 0.02 -0.29 0.16 0.00 0.09 0.00 0.00 57.88 57.85 3ics h LEU 172 Cb 0.84 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 3ics h LEU 172 CO 0.07 0.39 0.34 0.03 0.09 0.00 0.00 178.44 179.35 3ics h ARG 173 N -0.14 0.45 -0.61 1.13 2.47 -1.10 -1.00 114.38 115.59 3ics h ARG 173 Ca 0.02 -0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.84 3ics h ARG 173 Cb 0.32 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3ics h ARG 173 CO 0.00 0.30 0.42 1.49 0.56 0.00 0.00 179.97 182.74 3ics h GLU 174 N 0.46 0.25 -0.00 0.04 4.57 -0.88 0.86 114.58 119.89 3ics h GLU 174 Ca 0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 3ics h GLU 174 Cb 0.71 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3ics h GLU 174 CO -0.42 0.17 -0.03 0.54 -1.18 0.00 0.00 179.01 178.09 3ics n ARG 175 N -4.44 0.78 -0.59 1.92 5.12 -0.42 -4.89 116.66 114.13 3ics n ARG 175 Ca 0.11 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3ics n ARG 175 Cb 0.49 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3ics n ARG 175 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ics n GLY 176 N 1.18 0.68 3.74 -0.13 0.00 0.30 -5.05 105.19 105.90 3ics n GLY 176 Ca 0.18 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 4.91 0.33 -0.61 1.01 -0.93 -4.99 121.20 118.92 3ics s ILE 177 Ca 0.00 1.42 -0.28 0.00 0.00 0.00 0.00 60.65 61.79 3ics s ILE 177 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 3ics s ILE 177 CO 0.00 0.34 1.19 -1.61 0.00 0.00 0.00 174.94 174.87 3ics s GLU 178 N 0.22 4.38 -0.04 2.79 0.41 0.08 -3.65 118.70 122.89 3ics s GLU 178 Ca 0.35 1.96 0.03 0.00 -0.41 0.00 0.00 54.97 56.91 3ics s GLU 178 Cb -0.19 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 3ics s GLU 178 CO 0.19 -0.08 -0.13 0.08 -0.49 0.00 0.00 175.26 174.83 3ics s VAL 179 N -1.22 1.12 -0.13 2.63 1.01 -1.26 -0.10 120.40 122.44 3ics s VAL 179 Ca 0.49 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3ics s VAL 179 Cb -0.34 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3ics s VAL 179 CO 0.45 0.34 -0.16 -0.89 0.00 0.00 0.00 175.10 174.84 3ics s THR 180 N 0.25 2.75 -0.22 3.92 2.01 -0.45 -1.76 115.64 122.13 3ics s THR 180 Ca -0.06 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 3ics s THR 180 Cb -0.11 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3ics s THR 180 CO 0.02 0.53 0.08 -0.22 -0.69 0.00 0.00 174.62 174.34 3ics s LEU 181 N 0.47 3.69 -0.21 4.42 2.96 0.20 -0.50 118.68 129.71 3ics s LEU 181 Ca -0.11 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3ics s LEU 181 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3ics s LEU 181 CO 0.05 0.07 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.44 3ics s VAL 182 N 0.99 3.63 0.00 1.68 1.01 0.38 -0.41 120.40 127.67 3ics s VAL 182 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3ics s VAL 182 Cb -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3ics s VAL 182 CO 0.03 0.42 0.00 1.21 0.00 0.00 0.00 175.10 176.76 3ics n GLU 183 N 4.61 1.55 -0.04 2.72 4.07 0.22 -0.68 120.64 133.08 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 -1.16 0.67 4.31 0.00 -1.26 -1.04 120.51 119.04 3ics n ALA 185 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3ics n ALA 185 Cb 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.67 2.25 -3.67 0.00 0.23 -1.26 -1.30 115.26 110.85 3ics n ASN 186 Ca 0.00 -1.99 -0.14 0.00 -0.53 0.00 0.00 54.58 51.93 3ics n ASN 186 Cb 0.08 -0.28 -0.07 0.00 -2.08 0.00 0.00 39.78 37.44 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 -1.45 0.88 -0.52 -3.83 -2.07 -1.26 -4.95 119.66 106.47 3ics s GLN 187 Ca 0.29 -0.25 -0.28 0.00 -1.82 0.00 0.00 55.36 53.30 3ics s GLN 187 Cb 0.15 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.47 3ics s GLN 187 CO 0.20 -0.29 1.49 0.14 -1.32 0.00 0.00 175.29 175.51 3ics s VAL 188 N -2.07 3.74 -0.20 3.63 -7.23 -1.26 -4.92 120.40 112.08 3ics s VAL 188 Ca -0.08 0.65 0.02 0.00 -1.81 0.00 0.00 61.98 60.76 3ics s VAL 188 Cb -0.02 -4.28 -0.14 0.00 0.56 0.00 0.00 36.38 32.51 3ics s VAL 188 CO 0.01 -1.01 -0.17 -2.65 -0.31 0.00 0.00 175.10 170.97 3ics n PRO 190 N 8.59 0.55 0.12 4.82 -0.02 -1.26 -4.85 135.00 142.96 3ics n PRO 190 Ca 0.15 0.11 0.17 0.00 -2.02 0.00 0.00 63.50 61.91 3ics n PRO 190 Cb 0.49 -1.41 0.72 0.00 -0.02 0.00 0.00 33.50 33.28 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 -6.33 0.52 0.11 -2.01 -3.43 132.00 120.86 3ics h PRO 191 Ca -0.46 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.17 3ics h PRO 191 Cb 1.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.83 3ics h PRO 191 CO -0.07 0.00 -0.31 0.96 -0.21 0.00 0.00 178.00 178.37 3ics s ILE 192 N -4.90 5.18 0.63 4.15 -4.36 -1.26 -4.61 121.20 116.03 3ics s ILE 192 Ca -0.05 -0.63 -0.10 0.00 -0.26 0.00 0.00 60.65 59.61 3ics s ILE 192 Cb 0.18 -3.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.04 3ics s ILE 192 CO 0.66 -0.39 1.00 -1.81 0.24 0.00 0.00 174.94 174.64 3ics s ASP 193 N -3.82 5.88 0.26 4.36 1.01 -1.26 -4.86 116.67 118.24 3ics s ASP 193 Ca 0.37 1.16 -0.02 0.00 0.71 0.00 0.00 52.55 54.78 3ics s ASP 193 Cb -0.10 -2.15 0.50 0.00 1.01 0.00 0.00 42.92 42.18 3ics s ASP 193 CO 0.32 -1.02 1.78 0.22 0.21 0.00 0.00 175.17 176.68 3ics h TYR 194 N -0.34 0.82 0.00 4.23 3.20 -1.96 -1.55 116.97 121.37 3ics h TYR 194 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3ics h TYR 194 Cb 1.22 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.25 3ics h TYR 194 CO 0.57 0.24 0.00 -0.85 -1.64 0.00 0.00 178.16 176.49 3ics n GLU 195 N -4.82 0.72 0.00 1.82 0.00 -1.26 -1.78 120.64 115.33 3ics n GLU 195 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 3ics n GLU 195 Cb 0.39 -1.14 0.00 0.00 0.00 0.00 0.00 31.44 30.69 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 0.67 0.00 -0.34 -1.84 0.00 -0.58 -3.94 120.51 114.48 3ics n ALA 197 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3ics n ALA 197 Cb 0.36 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.10 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 1.63 -0.35 0.00 0.00 -1.62 0.45 119.26 119.37 3ics h ALA 198 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ics h ALA 198 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ics h ALA 198 CO 0.00 0.09 -0.07 1.88 0.00 0.00 0.00 179.25 181.16 3ics h TYR 199 N 0.87 0.75 -0.50 0.00 -1.99 -1.88 -2.67 116.97 111.54 3ics h TYR 199 Ca 0.50 -0.15 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 3ics h TYR 199 Cb 0.64 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.16 3ics h TYR 199 CO -0.00 0.82 0.26 0.28 -0.00 0.00 0.00 178.16 179.51 3ics h VAL 200 N 0.46 1.18 -0.46 -2.88 2.07 -1.60 -2.38 116.25 112.65 3ics h VAL 200 Ca 0.09 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3ics h VAL 200 Cb 0.56 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3ics h VAL 200 CO 0.03 0.20 0.15 0.45 0.02 0.00 0.00 177.57 178.42 3ics h HIS 201 N 0.67 0.27 -0.60 1.57 3.86 -0.94 -2.29 115.15 117.69 3ics h HIS 201 Ca 0.17 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.50 3ics h HIS 201 Cb 0.08 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.43 3ics h HIS 201 CO -0.01 0.08 0.22 0.93 0.86 0.00 0.00 177.93 180.01 3ics h GLU 202 N 0.32 0.39 -1.17 2.45 5.08 -1.11 -0.42 114.58 120.12 3ics h GLU 202 Ca 0.22 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3ics h GLU 202 Cb 0.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ics h GLU 202 CO -0.23 0.26 0.00 0.72 -1.00 0.00 0.00 179.01 178.75 3ics n HIS 203 N -5.00 0.00 0.00 4.33 8.25 -0.86 -1.34 115.22 120.60 3ics n HIS 203 Ca 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3ics n HIS 203 Cb 0.27 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3ics n HIS 203 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ics n LYS 205 N 0.60 0.00 0.28 -0.41 5.02 -0.17 -2.82 118.16 120.66 3ics n LYS 205 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 3ics n LYS 205 Cb 0.18 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 35.87 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 -0.57 4.39 2.35 -1.45 -1.86 115.58 118.44 3ics h ASN 206 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3ics h ASN 206 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3ics h ASN 206 CO 0.00 0.01 0.04 1.41 -1.65 0.00 0.00 177.43 177.24 3ics n HIS 207 N -3.11 2.03 -2.35 1.19 8.25 -1.13 -4.94 115.22 115.16 3ics n HIS 207 Ca 0.01 -0.76 -0.12 0.00 -0.26 0.00 0.00 57.72 56.59 3ics n HIS 207 Cb 0.31 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.90 3ics n HIS 207 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ics n ASP 208 N 0.47 -3.88 -4.72 0.41 2.03 -0.70 -5.02 116.55 105.14 3ics n ASP 208 Ca 0.28 -0.05 -0.39 0.00 0.52 0.00 0.00 54.79 55.15 3ics n ASP 208 Cb 1.18 -3.01 -0.05 0.00 -0.72 0.00 0.00 41.12 38.51 3ics n ASP 208 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ics s VAL 209 N -2.67 5.09 -0.18 5.18 1.01 -1.26 -4.63 120.40 122.93 3ics s VAL 209 Ca 0.05 1.26 -0.27 0.00 0.00 0.00 0.00 61.98 63.01 3ics s VAL 209 Cb -0.02 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3ics s VAL 209 CO 0.06 0.29 0.94 -0.70 0.00 0.00 0.00 175.10 175.68 3ics s GLU 210 N 0.69 4.30 -0.22 2.72 2.12 -0.72 -4.22 118.70 123.36 3ics s GLU 210 Ca 0.33 1.20 -0.07 0.00 0.36 0.00 0.00 54.97 56.79 3ics s GLU 210 Cb -0.17 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 3ics s GLU 210 CO 0.15 -0.44 0.05 -0.51 -0.54 0.00 0.00 175.26 173.98 3ics s LEU 211 N 2.52 3.49 -0.25 2.70 1.43 -1.26 -0.63 118.68 126.68 3ics s LEU 211 Ca 0.42 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 3ics s LEU 211 Cb -0.16 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3ics s LEU 211 CO 0.11 0.03 -0.04 -0.69 0.23 0.00 0.00 176.35 175.99 3ics s VAL 212 N 1.20 3.08 0.30 -1.59 1.01 0.45 -4.98 120.40 119.86 3ics s VAL 212 Ca 0.04 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.22 3ics s VAL 212 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3ics s VAL 212 CO 0.03 0.23 0.08 -0.36 0.00 0.00 0.00 175.10 175.08 3ics s PHE 213 N 1.37 2.74 -1.60 5.22 0.08 -1.26 -0.61 117.98 123.92 3ics s PHE 213 Ca 0.02 -0.28 -0.15 0.00 0.12 0.00 0.00 56.93 56.64 3ics s PHE 213 Cb -0.16 -1.41 0.11 0.00 -0.57 0.00 0.00 43.02 41.00 3ics s PHE 213 CO -0.04 0.49 0.87 0.39 -0.10 0.00 0.00 175.22 176.83 3ics n GLU 214 N -1.03 -4.35 -3.84 0.44 1.02 -0.20 -4.91 120.64 107.77 3ics n GLU 214 Ca -0.05 0.49 -0.12 0.00 -0.02 0.00 0.00 57.16 57.46 3ics n GLU 214 Cb 0.60 -5.26 -0.10 0.00 -0.02 0.00 0.00 31.44 26.66 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 -3.37 -0.03 0.26 1.62 -1.08 -0.97 -4.93 116.67 108.17 3ics s ASP 215 Ca 0.66 -0.13 0.02 0.00 -0.52 0.00 0.00 52.55 52.57 3ics s ASP 215 Cb -0.34 0.23 -0.05 0.00 -1.46 0.00 0.00 42.92 41.30 3ics s ASP 215 CO 0.88 -0.39 0.09 -0.83 0.52 0.00 0.00 175.17 175.43 3ics s GLY 216 N -1.37 1.76 -0.04 2.66 0.00 -1.26 -3.99 107.32 105.08 3ics s GLY 216 Ca -0.14 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.39 3ics s GLY 216 CO 0.02 -1.62 1.34 0.14 0.00 0.00 0.00 173.10 172.98 3ics s VAL 217 N -3.69 3.93 -0.15 1.40 1.01 -1.26 -0.37 120.40 121.27 3ics s VAL 217 Ca 0.37 1.27 -0.09 0.00 0.00 0.00 0.00 61.98 63.53 3ics s VAL 217 Cb 0.08 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 3ics s VAL 217 CO 0.14 -0.02 0.28 -0.67 0.00 0.00 0.00 175.10 174.82 3ics n ASP 218 N 5.56 2.06 -3.75 3.32 -0.08 0.19 -4.72 116.55 119.13 3ics n ASP 218 Ca 0.13 0.23 -0.12 0.00 -1.51 0.00 0.00 54.79 53.52 3ics n ASP 218 Cb 0.44 -0.86 -0.07 0.00 2.34 0.00 0.00 41.12 42.97 3ics n ASP 218 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ics s ALA 219 N -2.52 -0.74 -0.25 -1.67 0.00 -0.84 -4.39 121.76 111.35 3ics s ALA 219 Ca -0.25 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 3ics s ALA 219 Cb 0.07 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3ics s ALA 219 CO 0.71 -0.38 0.03 -0.51 0.00 0.00 0.00 175.76 175.61 3ics s LEU 220 N -1.90 3.32 0.39 0.00 1.43 -0.35 -0.94 118.68 120.64 3ics s LEU 220 Ca -0.07 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3ics s LEU 220 Cb -0.02 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 3ics s LEU 220 CO -0.02 -0.07 0.11 -1.61 0.23 0.00 0.00 176.35 175.00 3ics s GLU 221 N 1.53 2.16 -1.44 1.70 2.02 0.62 -4.26 118.70 121.04 3ics s GLU 221 Ca 0.05 -1.83 -0.09 0.00 0.02 0.00 0.00 54.97 53.13 3ics s GLU 221 Cb -0.15 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.16 3ics s GLU 221 CO 0.01 -0.02 0.97 0.39 0.02 0.00 0.00 175.26 176.62 3ics n GLU 222 N -1.12 -6.60 -2.40 1.61 -0.58 -1.26 -1.33 120.64 108.96 3ics n GLU 222 Ca -0.03 0.81 -0.18 0.00 -0.42 0.00 0.00 57.16 57.34 3ics n GLU 222 Cb 0.64 -5.77 -0.00 0.00 -0.57 0.00 0.00 31.44 25.73 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 -2.83 -5.19 0.00 1.62 3.02 -1.26 -2.62 115.26 108.00 3ics n ASN 223 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3ics n ASN 223 Cb 0.57 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 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 -1.06 0.75 0.15 7.41 0.00 -0.44 -2.47 105.19 109.53 3ics n GLY 224 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 0.88 -3.12 4.61 0.00 -1.22 -3.43 119.26 116.98 3ics h ALA 225 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3ics h ALA 225 Cb 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 3ics h ALA 225 CO 0.00 0.00 -0.86 0.08 0.00 0.00 0.00 179.25 178.47 3ics s VAL 226 N -3.19 1.94 -0.37 0.00 1.01 -0.61 -1.22 120.40 117.96 3ics s VAL 226 Ca 0.07 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 3ics s VAL 226 Cb 0.09 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.76 3ics s VAL 226 CO 0.67 0.52 0.18 -0.69 0.00 0.00 0.00 175.10 175.78 3ics s VAL 227 N 1.19 4.23 -0.28 2.92 1.01 0.01 -0.27 120.40 129.21 3ics s VAL 227 Ca 0.01 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 3ics s VAL 227 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3ics s VAL 227 CO -0.09 -0.27 0.66 -0.13 0.00 0.00 0.00 175.10 175.27 3ics s ARG 228 N 1.47 4.03 0.33 2.72 0.52 -0.11 -1.20 118.95 126.72 3ics s ARG 228 Ca 0.01 0.51 -0.15 0.00 -0.52 0.00 0.00 55.73 55.57 3ics s ARG 228 Cb -0.20 -3.68 -0.09 0.00 0.52 0.00 0.00 34.95 31.50 3ics s ARG 228 CO 0.04 -0.50 0.75 -0.51 0.02 0.00 0.00 175.30 175.10 3ics s LEU 229 N 2.62 4.04 0.31 2.53 1.43 0.67 0.56 118.68 130.84 3ics s LEU 229 Ca 0.27 1.29 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 3ics s LEU 229 Cb -0.15 -4.11 0.87 0.00 0.03 0.00 0.00 46.19 42.83 3ics s LEU 229 CO 0.10 -0.23 1.70 0.11 0.23 0.00 0.00 176.35 178.26 3ics h LYS 230 N 2.16 0.44 0.00 1.70 1.79 -0.99 0.29 116.57 121.97 3ics h LYS 230 Ca -0.48 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.94 3ics h LYS 230 Cb 1.18 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3ics h LYS 230 CO 0.65 0.29 -0.12 0.66 -1.08 0.00 0.00 179.45 179.85 3ics h SER 231 N 0.46 0.00 0.00 0.86 4.64 -1.92 -3.46 113.55 114.13 3ics h SER 231 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3ics h SER 231 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ics h SER 231 CO -0.53 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.17 3ics n GLY 232 N -1.07 1.13 3.80 -0.77 0.00 0.10 -5.12 105.19 103.27 3ics n GLY 232 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.60 5.45 -0.03 1.61 0.01 -1.25 -4.74 113.70 113.14 3ics s SER 233 Ca 0.00 1.76 0.04 0.00 1.31 0.00 0.00 55.95 59.07 3ics s SER 233 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 3ics s SER 233 CO 0.00 -1.39 -0.16 -0.69 0.41 0.00 0.00 173.24 171.40 3ics s VAL 234 N -2.70 1.33 -0.18 3.43 1.01 -1.26 -0.24 120.40 121.79 3ics s VAL 234 Ca 0.62 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3ics s VAL 234 Cb -0.16 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 3ics s VAL 234 CO 0.46 0.38 -0.13 -0.63 0.00 0.00 0.00 175.10 175.18 3ics s ILE 235 N -0.08 2.79 -0.11 2.22 1.01 -0.34 -4.98 121.20 121.71 3ics s ILE 235 Ca -0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 3ics s ILE 235 Cb -0.10 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3ics s ILE 235 CO 0.01 0.49 0.64 -1.10 0.00 0.00 0.00 174.94 174.98 3ics s GLN 236 N 1.07 4.36 0.13 2.79 -0.21 -1.26 -0.81 119.66 125.73 3ics s GLN 236 Ca -0.00 0.73 -0.08 0.00 0.02 0.00 0.00 55.36 56.03 3ics s GLN 236 Cb -0.15 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 3ics s GLN 236 CO -0.03 0.01 0.23 -0.08 -2.12 0.00 0.00 175.29 173.30 3ics s THR 237 N 1.04 0.10 -1.42 -0.19 -1.32 -0.36 -4.97 115.64 108.52 3ics s THR 237 Ca 0.33 -1.37 0.13 0.00 -1.21 0.00 0.00 61.69 59.57 3ics s THR 237 Cb -0.17 -1.69 0.21 0.00 -1.51 0.00 0.00 72.50 69.35 3ics s THR 237 CO 0.14 -0.44 1.08 0.47 -2.21 0.00 0.00 174.62 173.67 3ics n ASP 238 N -0.15 2.52 -3.65 8.08 8.00 -0.38 -4.44 116.55 126.53 3ics n ASP 238 Ca -0.10 -1.74 -0.08 0.00 0.71 0.00 0.00 54.79 53.58 3ics n ASP 238 Cb 0.63 -0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 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 -1.06 -0.79 -0.19 0.64 1.43 0.21 -4.82 118.68 114.11 3ics s LEU 240 Ca 0.20 1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.70 3ics s LEU 240 Cb 0.12 2.24 -0.00 0.00 0.03 0.00 0.00 46.19 48.58 3ics s LEU 240 CO 0.17 -0.23 -0.10 -0.63 0.23 0.00 0.00 176.35 175.79 3ics s ILE 241 N 1.44 3.03 -0.25 -0.59 -1.09 0.04 -0.34 121.20 123.45 3ics s ILE 241 Ca -0.09 -0.63 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 3ics s ILE 241 Cb -0.05 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 3ics s ILE 241 CO -0.16 0.47 0.44 -0.76 -1.23 0.00 0.00 174.94 173.70 3ics s LEU 242 N 1.12 4.06 -0.39 2.97 1.43 0.11 -0.45 118.68 127.54 3ics s LEU 242 Ca 0.01 0.43 0.10 0.00 -1.03 0.00 0.00 54.13 53.64 3ics s LEU 242 Cb -0.14 -2.55 0.31 0.00 0.03 0.00 0.00 46.19 43.83 3ics s LEU 242 CO -0.03 -0.21 0.69 0.00 0.23 0.00 0.00 176.35 177.03 3ics n ALA 243 N 5.29 1.80 -1.00 4.21 0.00 0.37 -4.36 120.51 126.82 3ics n ALA 243 Ca -0.06 -3.17 0.03 0.00 0.00 0.00 0.00 53.44 50.23 3ics n ALA 243 Cb 0.50 -0.92 0.34 0.00 0.00 0.00 0.00 19.45 19.37 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 0.77 2.72 0.00 0.00 -5.35 -1.24 -4.24 119.36 112.02 3ics n ILE 244 Ca 0.21 -1.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 3ics n ILE 244 Cb 0.61 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 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 0.05 -1.63 3.20 3.28 0.00 -1.26 -4.84 105.19 103.99 3ics n GLY 245 Ca 0.31 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.87 1.01 0.01 1.61 -7.23 -1.26 -1.54 120.40 112.13 3ics s VAL 246 Ca 0.00 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 58.41 3ics s VAL 246 Cb 0.00 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 3ics s VAL 246 CO 0.00 -0.65 -0.18 0.00 -0.31 0.00 0.00 175.10 173.96 3ics s GLN 247 N -3.21 1.38 0.38 4.82 -2.07 -0.21 -4.85 119.66 115.89 3ics s GLN 247 Ca 0.10 -0.72 -0.28 0.00 -1.82 0.00 0.00 55.36 52.64 3ics s GLN 247 Cb -0.00 -1.38 -0.10 0.00 -1.09 0.00 0.00 33.01 30.44 3ics s GLN 247 CO -0.00 0.37 1.43 -2.14 -1.32 0.00 0.00 175.29 173.63 3ics s PRO 248 N -0.67 4.12 -1.40 9.60 0.02 -1.26 -1.11 135.00 144.30 3ics s PRO 248 Ca 0.06 2.45 -0.15 0.00 0.02 0.00 0.00 61.00 63.38 3ics s PRO 248 Cb -0.07 -2.95 0.06 0.00 0.02 0.00 0.00 34.50 31.55 3ics s PRO 248 CO 0.00 -0.48 2.05 0.39 -0.33 0.00 0.00 177.00 178.63 3ics n GLU 249 N 0.45 2.99 -0.34 5.54 -0.58 0.01 -4.70 120.64 124.02 3ics n GLU 249 Ca 0.01 -2.87 0.09 0.00 -0.42 0.00 0.00 57.16 53.97 3ics n GLU 249 Cb 0.40 -3.34 0.26 0.00 -0.57 0.00 0.00 31.44 28.19 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 6.77 3.70 0.16 1.62 3.41 -1.26 -4.62 113.62 123.39 3ics n SER 250 Ca 0.50 -2.13 0.06 0.00 -0.26 0.00 0.00 58.87 57.05 3ics n SER 250 Cb 0.41 -0.41 0.53 0.00 -0.26 0.00 0.00 64.21 64.49 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 3.27 0.18 -0.63 4.04 4.64 -1.93 -0.40 113.55 122.73 3ics h SER 251 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3ics h SER 251 Cb 0.99 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3ics h SER 251 CO 0.05 0.16 0.14 -0.07 -0.87 0.00 0.00 176.83 176.24 3ics h LEU 252 N 0.21 0.96 -0.23 5.97 3.38 -1.94 -0.82 115.31 122.84 3ics h LEU 252 Ca 0.05 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3ics h LEU 252 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3ics h LEU 252 CO -0.01 0.95 -0.08 0.00 0.09 0.00 0.00 178.44 179.39 3ics h ALA 253 N 1.05 0.32 -0.48 1.53 0.00 -1.59 -1.85 119.26 118.24 3ics h ALA 253 Ca 0.20 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ics h ALA 253 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ics h ALA 253 CO 0.00 0.14 0.27 -0.22 0.00 0.00 0.00 179.25 179.44 3ics h LYS 254 N 0.18 0.52 0.00 0.00 3.64 -1.09 0.15 116.57 119.97 3ics h LYS 254 Ca 0.05 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3ics h LYS 254 Cb 0.56 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3ics h LYS 254 CO 0.03 0.35 -0.17 0.78 -2.27 0.00 0.00 179.45 178.16 3ics h GLY 255 N 0.54 0.00 -0.82 5.01 0.00 -1.08 -2.30 103.07 104.43 3ics h GLY 255 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3ics h GLY 255 CO -0.11 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.43 3ics n ALA 256 N -2.47 2.55 -2.06 3.60 0.00 -0.70 -4.94 120.51 116.48 3ics n ALA 256 Ca -0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 52.84 3ics n ALA 256 Cb 0.24 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 1.21 0.15 3.81 0.00 0.00 -0.67 -4.91 105.19 104.79 3ics n GLY 257 Ca 0.18 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.93 4.13 0.31 0.99 1.43 0.43 -5.01 118.68 119.02 3ics s LEU 258 Ca 0.00 1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 54.47 3ics s LEU 258 Cb 0.00 -4.21 -0.11 0.00 0.03 0.00 0.00 46.19 41.90 3ics s LEU 258 CO 0.00 -0.20 1.46 0.00 0.23 0.00 0.00 176.35 177.83 3ics s ALA 259 N -1.90 3.61 0.10 4.21 0.00 -1.26 -4.54 121.76 121.98 3ics s ALA 259 Ca 0.55 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.99 3ics s ALA 259 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3ics s ALA 259 CO 0.18 -0.86 0.05 -0.51 0.00 0.00 0.00 175.76 174.61 3ics s LEU 260 N -1.21 3.62 0.00 0.00 1.43 -1.26 -1.77 118.68 119.49 3ics s LEU 260 Ca 0.56 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3ics s LEU 260 Cb -0.44 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.47 3ics s LEU 260 CO 0.52 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.87 3ics n GLY 261 N 0.37 3.06 3.74 -3.19 0.00 0.67 -4.61 105.19 105.22 3ics n GLY 261 Ca -0.10 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 1.46 -2.33 1.61 0.24 -1.26 -2.63 118.33 115.42 3ics n VAL 262 Ca 0.00 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.34 61.73 3ics n VAL 262 Cb 0.00 -1.85 -0.02 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 1.37 -1.63 -1.13 7.34 1.74 -1.26 -2.31 116.66 120.78 3ics n ARG 263 Ca 0.06 1.02 -0.05 0.00 -0.77 0.00 0.00 57.85 58.12 3ics n ARG 263 Cb 0.37 -5.65 -0.02 0.00 -1.02 0.00 0.00 32.46 26.14 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 -0.97 0.73 3.67 -0.13 0.00 -1.08 -4.58 105.19 102.83 3ics n GLY 264 Ca -0.24 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.10 2.43 -0.04 2.61 -4.23 -0.98 -4.58 115.64 108.76 3ics s THR 265 Ca 0.00 0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 3ics s THR 265 Cb 0.00 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 3ics s THR 265 CO 0.00 -0.18 0.98 -0.63 -0.54 0.00 0.00 174.62 174.24 3ics s ILE 266 N -2.85 4.85 -0.03 2.99 1.01 0.14 -0.24 121.20 127.08 3ics s ILE 266 Ca 0.65 2.03 -0.26 0.00 0.00 0.00 0.00 60.65 63.07 3ics s ILE 266 Cb -0.19 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 3ics s ILE 266 CO 0.58 0.11 0.81 -0.75 0.00 0.00 0.00 174.94 175.69 3ics s LYS 267 N 1.34 4.49 0.12 2.79 2.20 -0.73 -1.44 119.74 128.51 3ics s LYS 267 Ca 0.50 1.10 0.04 0.00 -0.36 0.00 0.00 55.97 57.26 3ics s LYS 267 Cb -0.20 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 3ics s LYS 267 CO 0.24 0.05 -0.11 0.14 -0.36 0.00 0.00 175.35 175.32 3ics s VAL 268 N 0.76 1.09 0.00 4.02 -7.23 -1.26 -4.23 120.40 113.56 3ics s VAL 268 Ca 0.43 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3ics s VAL 268 Cb -0.19 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3ics s VAL 268 CO 0.22 -0.60 0.00 -0.46 -0.31 0.00 0.00 175.10 173.95 3ics n ASN 269 N 0.27 0.00 0.26 4.85 0.23 0.00 -4.88 115.26 116.00 3ics n ASN 269 Ca -0.14 -0.79 0.17 0.00 -0.53 0.00 0.00 54.58 53.29 3ics n ASN 269 Cb 0.59 0.00 0.90 0.00 -2.08 0.00 0.00 39.78 39.19 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 -0.48 -3.83 3.07 -1.96 -0.95 114.58 110.43 3ics h GLU 270 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ics h GLU 270 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ics h GLU 270 CO 0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 3ics n LYS 271 N -3.71 3.56 -1.11 2.33 5.02 -1.26 -4.07 118.16 118.92 3ics n LYS 271 Ca -0.01 -2.79 -0.04 0.00 -2.02 0.00 0.00 58.31 53.46 3ics n LYS 271 Cb 0.21 -1.84 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 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 0.49 0.00 -2.56 2.13 3.01 -0.36 -4.97 117.46 115.20 3ics n PHE 272 Ca 0.23 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.27 3ics n PHE 272 Cb 0.86 -1.49 -0.03 0.00 -0.01 0.00 0.00 39.48 38.81 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 -1.75 4.52 0.00 -1.08 0.74 -1.26 -1.42 119.66 119.42 3ics s GLN 273 Ca 0.00 1.62 0.00 0.00 0.05 0.00 0.00 55.36 57.03 3ics s GLN 273 Cb 0.00 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3ics s GLN 273 CO 0.00 -0.10 0.00 0.25 -0.55 0.00 0.00 175.29 174.89 3ics n THR 274 N 3.58 0.00 0.73 -0.34 -2.24 -0.17 -0.82 114.28 115.02 3ics n THR 274 Ca 0.06 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 3ics n THR 274 Cb 0.48 -1.25 0.43 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.92 0.00 -4.59 3.42 3.41 -1.26 -4.55 113.62 107.14 3ics n SER 275 Ca 0.00 0.35 -0.35 0.00 -0.26 0.00 0.00 58.87 58.61 3ics n SER 275 Cb 0.00 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.87 5.47 0.59 4.04 2.15 -1.26 -5.00 116.67 119.80 3ics s ASP 276 Ca 0.12 0.01 0.33 0.00 0.43 0.00 0.00 52.55 53.44 3ics s ASP 276 Cb 0.13 -1.94 1.87 0.00 -0.30 0.00 0.00 42.92 42.68 3ics s ASP 276 CO 0.33 0.13 2.23 1.55 -0.17 0.00 0.00 175.17 179.24 3ics h PRO 277 N 7.01 0.00 -0.20 4.34 0.13 -1.99 -1.91 132.00 139.38 3ics h PRO 277 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.67 0.03 0.00 0.72 -0.23 0.00 0.00 178.00 179.19 3ics n HIS 278 N -3.56 0.24 -4.39 1.56 8.25 -1.26 -4.88 115.22 111.17 3ics n HIS 278 Ca -0.03 -0.12 -0.31 0.00 -0.26 0.00 0.00 57.72 57.01 3ics n HIS 278 Cb 0.13 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.76 1.76 0.32 1.59 1.01 -0.72 -1.08 121.20 122.32 3ics s ILE 279 Ca 0.34 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.29 3ics s ILE 279 Cb 0.21 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3ics s ILE 279 CO 0.31 0.49 0.08 -0.31 0.00 0.00 0.00 174.94 175.51 3ics s TYR 280 N 1.08 2.68 -0.12 3.97 1.51 0.88 -1.00 117.35 126.35 3ics s TYR 280 Ca -0.03 -0.34 -0.18 0.00 -1.01 0.00 0.00 57.07 55.51 3ics s TYR 280 Cb -0.14 -1.49 0.04 0.00 -0.11 0.00 0.00 41.96 40.26 3ics s TYR 280 CO -0.05 0.44 0.45 0.00 -1.11 0.00 0.00 175.55 175.29 3ics s ALA 281 N -2.41 -1.14 0.29 3.71 0.00 -0.51 -0.25 121.76 121.46 3ics s ALA 281 Ca 0.35 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 3ics s ALA 281 Cb -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3ics s ALA 281 CO 0.21 -0.25 0.41 0.96 0.00 0.00 0.00 175.76 177.09 3ics s ILE 282 N -0.36 0.00 0.00 0.00 -4.36 -0.22 -4.79 121.20 111.47 3ics s ILE 282 Ca -0.05 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 3ics s ILE 282 Cb -0.03 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.19 3ics s ILE 282 CO 0.03 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.82 3ics n GLY 283 N -0.47 -1.71 0.44 6.27 0.00 -1.26 -4.16 105.19 104.31 3ics n GLY 283 Ca 0.01 -1.46 0.26 0.00 0.00 0.00 0.00 46.02 44.83 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 1.36 1.61 3.32 -1.88 -2.21 116.42 118.62 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 1.50 1.00 -2.30 3.45 0.00 -1.72 -3.44 119.26 117.76 3ics h ALA 285 Ca 0.35 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.78 3ics h ALA 285 Cb 1.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3ics h ALA 285 CO -0.00 0.00 -0.37 0.96 0.00 0.00 0.00 179.25 179.83 3ics s ILE 286 N -3.17 5.23 0.12 0.00 -4.36 -0.83 0.28 121.20 118.47 3ics s ILE 286 Ca 0.09 -0.75 -0.28 0.00 -0.26 0.00 0.00 60.65 59.44 3ics s ILE 286 Cb 0.11 -3.83 -0.06 0.00 1.25 0.00 0.00 42.46 39.93 3ics s ILE 286 CO 0.56 -0.32 0.89 -0.70 0.24 0.00 0.00 174.94 175.61 3ics s GLU 287 N -3.86 4.66 0.26 0.37 2.12 -0.52 -4.73 118.70 116.99 3ics s GLU 287 Ca 0.36 1.33 0.07 0.00 0.36 0.00 0.00 54.97 57.09 3ics s GLU 287 Cb -0.10 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3ics s GLU 287 CO 0.30 0.31 -0.08 0.14 -0.54 0.00 0.00 175.26 175.40 3ics s VAL 288 N -0.31 1.64 -0.01 3.70 -7.23 -0.42 -4.62 120.40 113.15 3ics s VAL 288 Ca 0.43 -2.14 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 3ics s VAL 288 Cb -0.23 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 3ics s VAL 288 CO 0.28 -0.38 0.35 -0.54 -0.31 0.00 0.00 175.10 174.50 3ics s LYS 289 N -3.71 3.79 0.36 4.82 1.02 -1.26 -0.07 119.74 124.68 3ics s LYS 289 Ca 0.28 0.25 -0.26 0.00 0.02 0.00 0.00 55.97 56.26 3ics s LYS 289 Cb 0.03 -3.17 -0.09 0.00 -0.52 0.00 0.00 37.83 34.08 3ics s LYS 289 CO 0.10 0.68 1.08 0.16 -0.92 0.00 0.00 175.35 176.46 3ics s ASP 290 N -1.23 6.86 0.22 2.83 1.47 -0.41 -1.03 116.67 125.39 3ics s ASP 290 Ca 0.24 2.15 -0.09 0.00 1.18 0.00 0.00 52.55 56.04 3ics s ASP 290 Cb -0.15 -2.60 0.21 0.00 -0.34 0.00 0.00 42.92 40.04 3ics s ASP 290 CO 0.13 -0.42 1.88 0.15 0.68 0.00 0.00 175.17 177.59 3ics h PHE 291 N 2.90 1.01 -0.11 2.11 3.57 -1.53 0.31 116.94 125.20 3ics h PHE 291 Ca -0.48 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 3ics h PHE 291 Cb 1.22 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3ics h PHE 291 CO 0.58 0.61 -0.12 0.28 -2.23 0.00 0.00 178.31 177.42 3ics h VAL 292 N 1.07 1.36 -0.00 1.41 2.07 -1.91 -3.36 116.25 116.89 3ics h VAL 292 Ca 0.31 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3ics h VAL 292 Cb -0.06 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3ics h VAL 292 CO -0.09 0.37 -0.26 0.35 0.02 0.00 0.00 177.57 177.96 3ics n THR 293 N -4.62 0.00 -3.67 2.57 -2.24 -1.22 -5.00 114.28 100.09 3ics n THR 293 Ca -0.07 -0.37 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 3ics n THR 293 Cb 0.34 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.94 -7.30 -3.58 -0.78 1.02 0.11 -4.97 120.64 104.20 3ics n GLU 294 Ca 0.02 0.77 -0.37 0.00 -0.02 0.00 0.00 57.16 57.55 3ics n GLU 294 Cb 0.11 -5.78 -0.06 0.00 -0.02 0.00 0.00 31.44 25.69 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 -3.32 5.19 0.04 2.62 2.01 -1.26 -4.74 115.64 116.18 3ics s THR 295 Ca 0.57 0.66 -0.31 0.00 0.31 0.00 0.00 61.69 62.93 3ics s THR 295 Cb -0.26 -3.64 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 3ics s THR 295 CO 0.76 0.54 1.51 -1.61 -0.69 0.00 0.00 174.62 175.13 3ics s GLU 296 N -0.70 4.25 0.00 4.92 8.01 -1.26 -1.28 118.70 132.63 3ics s GLU 296 Ca 0.21 2.14 0.00 0.00 0.01 0.00 0.00 54.97 57.32 3ics s GLU 296 Cb -0.15 -3.54 0.00 0.00 -4.31 0.00 0.00 34.13 26.13 3ics s GLU 296 CO 0.10 -0.63 0.00 -2.37 0.01 0.00 0.00 175.26 172.36 3ics n THR 297 N 4.61 0.00 0.00 3.63 5.66 0.89 -4.95 114.28 124.12 3ics n THR 297 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 3ics n THR 297 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 -2.30 1.09 5.41 -1.26 -1.31 119.36 120.99 3ics n ILE 299 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 3ics n ILE 299 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 3ics n ILE 299 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3ics n PRO 300 N 0.00 2.55 -4.38 0.38 -0.04 -1.26 -4.87 135.00 127.38 3ics n PRO 300 Ca 0.00 -2.91 -0.21 0.00 -0.04 0.00 0.00 63.50 60.34 3ics n PRO 300 Cb 0.00 -3.55 -0.10 0.00 -0.04 0.00 0.00 33.50 29.80 3ics n PRO 300 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ics s LEU 301 N 6.44 2.52 0.11 1.53 1.43 -1.26 -5.02 118.68 124.43 3ics s LEU 301 Ca 0.59 -0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 3ics s LEU 301 Cb 0.03 -0.86 -0.13 0.00 0.03 0.00 0.00 46.19 45.27 3ics s LEU 301 CO 0.09 -0.06 1.34 0.00 0.23 0.00 0.00 176.35 177.96 3ics h ALA 302 N 2.72 0.37 0.03 4.21 0.00 -1.97 -2.92 119.26 121.70 3ics h ALA 302 Ca -0.40 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 3ics h ALA 302 Cb 1.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ics h ALA 302 CO 0.57 0.67 -0.03 2.35 0.00 0.00 0.00 179.25 182.82 3ics h TRP 303 N 0.59 -0.06 -0.68 0.00 7.01 -1.98 -1.15 115.95 119.68 3ics h TRP 303 Ca -0.02 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.06 3ics h TRP 303 Cb 1.29 0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 28.31 3ics h TRP 303 CO 0.08 -0.04 0.34 -1.35 -2.79 0.00 0.00 178.44 174.68 3ics h PRO 304 N -0.06 0.57 -0.22 2.65 0.11 -1.94 0.13 132.00 133.24 3ics h PRO 304 Ca -0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3ics h PRO 304 Cb 0.06 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3ics h PRO 304 CO -0.00 0.38 0.11 0.00 -0.21 0.00 0.00 178.00 178.27 3ics h ALA 305 N 1.40 0.26 -0.54 -0.75 0.00 -1.29 0.27 119.26 118.62 3ics h ALA 305 Ca 0.33 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3ics h ALA 305 Cb 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3ics h ALA 305 CO -0.25 -0.30 0.19 -0.91 0.00 0.00 0.00 179.25 177.98 3ics h ASN 306 N 0.23 0.77 -0.55 0.00 2.35 -1.05 -1.24 115.58 116.10 3ics h ASN 306 Ca 0.09 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 3ics h ASN 306 Cb 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3ics h ASN 306 CO -0.06 0.76 0.03 -0.09 -1.65 0.00 0.00 177.43 176.42 3ics h ARG 307 N 0.75 0.94 -0.21 0.81 9.65 -0.37 -1.77 114.38 124.18 3ics h ARG 307 Ca 0.18 -0.28 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 3ics h ARG 307 Cb 0.24 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 3ics h ARG 307 CO -0.01 0.94 0.05 1.96 2.80 0.00 0.00 179.97 185.71 3ics h GLN 308 N 0.83 0.33 -0.73 0.20 4.20 -0.34 -2.93 115.11 116.67 3ics h GLN 308 Ca 0.16 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3ics h GLN 308 Cb 0.49 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 3ics h GLN 308 CO 0.02 0.46 0.49 0.78 -0.67 0.00 0.00 178.83 179.91 3ics h GLY 309 N 0.15 1.03 -0.91 3.46 0.00 -1.17 0.25 103.07 105.88 3ics h GLY 309 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3ics h GLY 309 CO 0.00 0.38 0.00 -2.13 0.00 0.00 0.00 176.54 174.79 3ics n ARG 310 N -4.58 0.24 0.00 4.80 3.00 -0.67 -2.47 116.66 116.99 3ics n ARG 310 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 3ics n ARG 310 Cb 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.37 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 0.30 0.00 -0.19 6.15 7.94 0.87 -3.47 117.00 128.60 3ics n LEU 312 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3ics n LEU 312 Cb 0.05 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.05 3ics n LEU 312 CO 0.00 0.00 1.08 0.00 -1.11 0.00 0.00 177.39 177.36 3ics h ALA 313 N 0.00 0.72 -0.40 1.96 0.00 -1.74 0.46 119.26 120.26 3ics h ALA 313 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ics h ALA 313 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ics h ALA 313 CO 0.00 0.05 0.26 -0.44 0.00 0.00 0.00 179.25 179.12 3ics h ASP 314 N 0.66 0.45 -0.27 0.00 3.32 -1.86 -2.91 116.42 115.81 3ics h ASP 314 Ca 0.22 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ics h ASP 314 Cb 0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3ics h ASP 314 CO -0.10 0.33 0.16 0.40 -1.72 0.00 0.00 179.24 178.31 3ics h ILE 315 N 0.53 1.10 -0.97 0.35 2.04 -1.46 0.43 117.51 119.53 3ics h ILE 315 Ca 0.15 -0.23 0.19 0.00 1.00 0.00 0.00 64.86 65.97 3ics h ILE 315 Cb -0.06 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 3ics h ILE 315 CO -0.04 0.09 0.61 0.40 0.00 0.00 0.00 178.15 179.22 3ics h ILE 316 N 0.34 0.70 -0.27 -0.67 2.04 -0.87 0.13 117.51 118.90 3ics h ILE 316 Ca 0.10 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3ics h ILE 316 Cb 0.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 3ics h ILE 316 CO -0.02 0.12 0.00 1.41 0.00 0.00 0.00 178.15 179.66 3ics n HIS 317 N -4.66 0.66 -1.02 1.37 8.25 -0.70 -4.90 115.22 114.22 3ics n HIS 317 Ca 0.22 -0.26 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 3ics n HIS 317 Cb 0.62 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 0.60 0.47 3.43 -1.41 0.00 0.45 -4.98 105.19 103.75 3ics n GLY 318 Ca 0.11 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 3ics n GLY 318 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ics s HIS 319 N -1.91 3.29 -0.51 1.61 3.76 0.06 -4.80 115.29 116.78 3ics s HIS 319 Ca 0.00 -1.58 0.06 0.00 -0.15 0.00 0.00 55.06 53.39 3ics s HIS 319 Cb 0.00 -4.19 0.18 0.00 1.11 0.00 0.00 32.58 29.68 3ics s HIS 319 CO 0.00 -1.38 1.15 0.25 -0.85 0.00 0.00 174.74 173.91 3ics n THR 320 N 5.10 1.02 0.10 1.30 -2.24 -1.26 -3.53 114.28 114.76 3ics n THR 320 Ca 0.23 -1.02 0.19 0.00 -2.27 0.00 0.00 64.05 61.18 3ics n THR 320 Cb 0.48 0.49 0.76 0.00 -2.10 0.00 0.00 70.33 69.95 3ics n THR 320 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ics h ASP 321 N 1.14 0.00 -3.12 3.42 5.19 -1.99 -3.36 116.42 117.70 3ics h ASP 321 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 3ics h ASP 321 Cb 0.64 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.80 3ics h ASP 321 CO 0.00 0.00 -0.84 -0.55 -3.12 0.00 0.00 179.24 174.73 3ics s SER 322 N -5.66 2.83 0.29 6.45 0.15 -1.26 -5.13 113.70 111.38 3ics s SER 322 Ca -0.05 -0.54 0.10 0.00 0.70 0.00 0.00 55.95 56.16 3ics s SER 322 Cb 0.16 -1.29 -0.05 0.00 -1.71 0.00 0.00 66.02 63.14 3ics s SER 322 CO 0.59 -0.02 -0.03 -0.76 1.20 0.00 0.00 173.24 174.22 3ics s LEU 323 N 1.33 3.01 0.13 3.45 1.43 -1.26 -4.98 118.68 121.79 3ics s LEU 323 Ca 0.03 -0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 51.98 3ics s LEU 323 Cb -0.13 -1.48 -0.10 0.00 0.03 0.00 0.00 46.19 44.51 3ics s LEU 323 CO -0.10 -0.08 1.67 -0.47 0.23 0.00 0.00 176.35 177.61 3ics s TYR 324 N -2.43 2.64 -2.37 0.29 5.04 -1.26 -4.88 117.35 114.39 3ics s TYR 324 Ca 0.32 0.35 0.26 0.00 -2.44 0.00 0.00 57.07 55.57 3ics s TYR 324 Cb -0.04 -4.02 1.04 0.00 0.35 0.00 0.00 41.96 39.29 3ics s TYR 324 CO 0.19 -3.98 1.73 1.63 -1.34 0.00 0.00 175.55 173.77 3ics n LYS 325 N 4.86 1.60 0.00 4.97 4.76 -1.26 -5.04 118.16 128.05 3ics n LYS 325 Ca 0.16 -0.88 0.00 0.00 -2.87 0.00 0.00 58.31 54.72 3ics n LYS 325 Cb 0.39 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3ics n LYS 325 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ics n GLY 326 N 1.13 0.92 3.49 0.72 0.00 -1.26 -4.55 105.19 105.64 3ics n GLY 326 Ca 0.18 -2.05 -0.36 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 -1.55 4.35 0.22 2.61 2.01 -0.20 -4.67 115.64 118.42 3ics s THR 327 Ca 0.00 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.86 3ics s THR 327 Cb 0.00 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 3ics s THR 327 CO 0.00 0.38 1.53 0.25 -0.69 0.00 0.00 174.62 176.08 3ics h LEU 328 N 7.80 0.31 -0.39 4.42 6.46 -1.93 -1.66 115.31 130.32 3ics h LEU 328 Ca -0.37 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 3ics h LEU 328 Cb 1.18 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 3ics h LEU 328 CO 0.60 0.87 0.00 0.61 -0.62 0.00 0.00 178.44 179.90 3ics n GLY 329 N 0.34 0.85 3.68 3.75 0.00 -1.26 -1.66 105.19 110.89 3ics n GLY 329 Ca -0.03 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.39 3.79 0.08 2.61 2.01 -1.26 -4.20 115.64 116.28 3ics s THR 330 Ca 0.00 1.10 -0.05 0.00 0.31 0.00 0.00 61.69 63.05 3ics s THR 330 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 3ics s THR 330 CO 0.00 -0.04 0.10 -0.94 -0.69 0.00 0.00 174.62 173.05 3ics s SER 331 N 2.20 0.27 -0.09 3.53 1.04 0.73 -4.99 113.70 116.39 3ics s SER 331 Ca 0.64 -0.83 -0.15 0.00 0.48 0.00 0.00 55.95 56.09 3ics s SER 331 Cb -0.30 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3ics s SER 331 CO 0.25 -0.69 0.37 0.54 0.98 0.00 0.00 173.24 174.69 3ics s VAL 332 N -3.90 0.02 0.00 5.02 0.11 -1.26 -0.98 120.40 119.42 3ics s VAL 332 Ca 0.07 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 3ics s VAL 332 Cb 0.06 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 3ics s VAL 332 CO -0.09 -0.11 0.02 0.00 -3.33 0.00 0.00 175.10 171.58 3ics s ALA 333 N -0.49 -0.02 -0.10 1.54 0.00 0.69 -4.99 121.76 118.39 3ics s ALA 333 Ca -0.06 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 3ics s ALA 333 Cb -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3ics s ALA 333 CO 0.02 -0.08 0.77 0.21 0.00 0.00 0.00 175.76 176.69 3ics s LYS 334 N -0.58 4.39 -0.42 0.00 2.20 -1.26 -1.04 119.74 123.03 3ics s LYS 334 Ca -0.06 0.96 0.02 0.00 -0.36 0.00 0.00 55.97 56.53 3ics s LYS 334 Cb -0.04 -3.50 0.13 0.00 -1.51 0.00 0.00 37.83 32.91 3ics s LYS 334 CO -0.00 -0.09 0.20 0.08 -0.36 0.00 0.00 175.35 175.18 3ics s VAL 335 N 1.32 1.63 0.00 4.02 1.01 0.46 -4.71 120.40 124.12 3ics s VAL 335 Ca 0.39 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 59.87 3ics s VAL 335 Cb -0.18 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3ics s VAL 335 CO 0.17 -0.81 0.00 0.49 0.00 0.00 0.00 175.10 174.94 3ics n PHE 336 N 3.74 0.00 1.22 5.22 3.72 -1.26 -0.77 117.46 129.33 3ics n PHE 336 Ca 0.06 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.59 3ics n PHE 336 Cb 0.36 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.24 3ics n PHE 336 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ics n ASP 337 N 8.06 1.12 -4.87 4.37 5.75 -1.26 -4.91 116.55 124.80 3ics n ASP 337 Ca 0.00 -0.95 -0.31 0.00 -0.01 0.00 0.00 54.79 53.52 3ics n ASP 337 Cb 0.00 0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 3ics n ASP 337 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3ics s LEU 338 N -2.50 4.18 -0.11 -2.12 2.96 0.05 -4.38 118.68 116.76 3ics s LEU 338 Ca 0.24 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.34 3ics s LEU 338 Cb 0.19 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 3ics s LEU 338 CO 0.52 0.18 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.75 3ics s THR 339 N -1.45 3.41 -0.12 3.68 2.01 0.93 -0.41 115.64 123.70 3ics s THR 339 Ca 0.32 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.78 3ics s THR 339 Cb -0.13 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 69.97 3ics s THR 339 CO 0.25 0.54 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.90 3ics s VAL 340 N -0.09 1.41 0.13 3.82 1.01 -0.20 -2.06 120.40 124.42 3ics s VAL 340 Ca -0.00 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3ics s VAL 340 Cb -0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3ics s VAL 340 CO 0.03 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 3ics s ALA 341 N 1.24 1.32 0.01 5.51 0.00 0.36 -0.22 121.76 129.98 3ics s ALA 341 Ca -0.02 -1.37 -0.16 0.00 0.00 0.00 0.00 51.96 50.41 3ics s ALA 341 Cb -0.14 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3ics s ALA 341 CO -0.05 -0.07 0.34 -0.08 0.00 0.00 0.00 175.76 175.90 3ics s THR 342 N -2.97 0.06 -0.01 0.00 -1.32 -0.15 -1.12 115.64 110.13 3ics s THR 342 Ca 0.12 -0.52 -0.22 0.00 -1.21 0.00 0.00 61.69 59.87 3ics s THR 342 Cb 0.00 -0.80 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 3ics s THR 342 CO 0.00 -0.29 0.48 0.28 -2.21 0.00 0.00 174.62 172.88 3ics s THR 343 N -1.93 0.03 0.00 5.08 -1.32 -0.17 -0.20 115.64 117.14 3ics s THR 343 Ca -0.09 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3ics s THR 343 Cb -0.03 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 3ics s THR 343 CO 0.01 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 3ics n GLY 344 N 0.95 1.37 3.74 6.08 0.00 -0.66 -1.05 105.19 115.61 3ics n GLY 344 Ca -0.20 -0.64 -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 3.65 0.59 0.99 1.43 0.67 -4.87 118.68 121.14 3ics s LEU 345 Ca 0.00 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 3ics s LEU 345 Cb 0.00 -2.34 0.08 0.00 0.03 0.00 0.00 46.19 43.97 3ics s LEU 345 CO 0.00 0.15 0.82 0.54 0.23 0.00 0.00 176.35 178.09 3ics s ASN 346 N -2.52 4.97 0.25 2.29 2.20 -1.26 -3.97 114.94 116.90 3ics s ASN 346 Ca 0.28 -0.58 -0.06 0.00 -0.94 0.00 0.00 52.86 51.56 3ics s ASN 346 Cb -0.11 -0.02 0.26 0.00 -2.00 0.00 0.00 41.25 39.37 3ics s ASN 346 CO 0.21 -1.40 1.90 -0.33 -2.94 0.00 0.00 177.10 174.54 3ics h GLU 347 N 0.03 1.26 -0.71 3.55 5.08 -1.96 -2.40 114.58 119.44 3ics h GLU 347 Ca -0.34 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3ics h GLU 347 Cb 1.28 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 3ics h GLU 347 CO 0.42 0.88 0.44 0.87 -1.00 0.00 0.00 179.01 180.62 3ics h LYS 348 N 1.28 0.95 -0.30 2.33 1.57 -1.96 -0.92 116.57 119.52 3ics h LYS 348 Ca 0.33 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 3ics h LYS 348 Cb -0.06 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 3ics h LYS 348 CO -0.06 0.66 -0.34 0.82 -0.57 0.00 0.00 179.45 179.95 3ics h ILE 349 N 0.96 1.30 -0.17 1.86 2.04 -1.95 -2.68 117.51 118.87 3ics h ILE 349 Ca 0.26 -1.52 -0.09 0.00 1.00 0.00 0.00 64.86 64.51 3ics h ILE 349 Cb -0.06 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3ics h ILE 349 CO -0.05 0.49 -0.29 -0.07 0.00 0.00 0.00 178.15 178.23 3ics h LEU 350 N 0.52 0.34 -0.45 1.44 3.38 -1.10 -1.23 115.31 118.21 3ics h LEU 350 Ca 0.04 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3ics h LEU 350 Cb 0.92 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3ics h LEU 350 CO 0.08 0.63 -0.04 0.11 0.09 0.00 0.00 178.44 179.31 3ics h LYS 351 N 0.30 0.82 -0.44 1.13 1.57 -1.22 -0.38 116.57 118.34 3ics h LYS 351 Ca 0.04 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3ics h LYS 351 Cb 0.67 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3ics h LYS 351 CO 0.05 0.90 0.29 -0.09 -0.57 0.00 0.00 179.45 180.03 3ics h ARG 352 N 0.66 0.37 -0.13 3.15 2.43 -1.09 -2.30 114.38 117.47 3ics h ARG 352 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3ics h ARG 352 Cb 0.56 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3ics h ARG 352 CO 0.03 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 180.02 3ics n LEU 353 N -4.48 2.57 -3.57 3.80 4.77 -0.50 -4.97 117.00 114.62 3ics n LEU 353 Ca 0.05 -0.95 -0.22 0.00 -0.03 0.00 0.00 56.01 54.86 3ics n LEU 353 Cb 0.23 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 3ics n LEU 353 CO 0.35 0.48 0.19 0.59 -1.33 0.00 0.00 177.39 177.66 3ics n ASN 354 N 0.96 -4.86 -4.42 -1.43 4.13 -0.75 -4.99 115.26 103.90 3ics n ASN 354 Ca 0.17 -0.59 -0.36 0.00 1.68 0.00 0.00 54.58 55.48 3ics n ASN 354 Cb 0.51 -4.97 -0.13 0.00 -1.54 0.00 0.00 39.78 33.65 3ics n ASN 354 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ics s ILE 355 N -3.34 4.05 0.05 2.41 1.01 -0.23 -5.04 121.20 120.11 3ics s ILE 355 Ca 0.40 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 3ics s ILE 355 Cb -0.18 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 3ics s ILE 355 CO 0.74 0.38 1.32 -2.16 0.00 0.00 0.00 174.94 175.22 3ics s PRO 356 N 1.41 4.35 0.22 2.79 0.04 -1.26 -4.59 135.00 137.95 3ics s PRO 356 Ca 0.05 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 3ics s PRO 356 Cb -0.15 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 3ics s PRO 356 CO 0.02 -0.42 0.16 1.52 0.04 0.00 0.00 177.00 178.31 3ics s TYR 357 N 1.56 1.21 0.16 0.56 1.13 -1.26 -4.70 117.35 116.00 3ics s TYR 357 Ca 0.62 -1.40 0.06 0.00 -1.41 0.00 0.00 57.07 54.94 3ics s TYR 357 Cb -0.32 -0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 39.94 3ics s TYR 357 CO 0.28 -0.68 -0.13 -1.21 -2.51 0.00 0.00 175.55 171.31 3ics s GLU 358 N -4.07 1.14 0.14 -3.49 0.41 0.70 -4.91 118.70 108.62 3ics s GLU 358 Ca 0.39 -1.44 0.06 0.00 -0.41 0.00 0.00 54.97 53.56 3ics s GLU 358 Cb 0.06 -0.87 -0.04 0.00 -1.78 0.00 0.00 34.13 31.51 3ics s GLU 358 CO 0.14 0.14 -0.14 0.14 -0.49 0.00 0.00 175.26 175.05 3ics s VAL 359 N -2.90 1.41 0.01 2.63 -7.23 -1.26 -1.56 120.40 111.50 3ics s VAL 359 Ca 0.17 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 3ics s VAL 359 Cb -0.00 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 3ics s VAL 359 CO 0.03 -0.48 -0.06 0.54 -0.31 0.00 0.00 175.10 174.82 3ics s VAL 360 N -2.42 0.45 -0.22 1.32 0.11 -0.70 -5.00 120.40 113.95 3ics s VAL 360 Ca 0.13 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 3ics s VAL 360 Cb -0.03 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 3ics s VAL 360 CO 0.03 -0.06 -0.10 -1.00 -3.33 0.00 0.00 175.10 170.64 3ics s HIS 361 N -0.57 2.95 -0.18 1.54 3.76 -1.26 -1.31 115.29 120.22 3ics s HIS 361 Ca -0.02 -1.41 0.01 0.00 -0.15 0.00 0.00 55.06 53.48 3ics s HIS 361 Cb -0.05 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.64 3ics s HIS 361 CO 0.00 -0.70 -0.17 0.08 -0.85 0.00 0.00 174.74 173.10 3ics s VAL 362 N 1.36 1.90 -0.16 -0.90 1.01 0.49 -3.94 120.40 120.15 3ics s VAL 362 Ca 0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 3ics s VAL 362 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3ics s VAL 362 CO -0.07 0.43 0.36 -1.58 0.00 0.00 0.00 175.10 174.24 3ics s GLN 363 N 1.34 4.26 0.01 2.72 0.74 -1.26 -0.30 119.66 127.16 3ics s GLN 363 Ca 0.03 0.21 -0.09 0.00 0.05 0.00 0.00 55.36 55.56 3ics s GLN 363 Cb -0.14 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.52 3ics s GLN 363 CO -0.11 0.15 0.17 0.00 -0.55 0.00 0.00 175.29 174.95 3ics s ALA 364 N 0.70 -0.39 0.37 1.58 0.00 -0.24 -4.96 121.76 118.82 3ics s ALA 364 Ca 0.20 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 3ics s ALA 364 Cb -0.14 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 3ics s ALA 364 CO 0.06 -0.24 1.21 -0.80 0.00 0.00 0.00 175.76 175.99 3ics s ASN 365 N -1.49 6.65 0.40 0.00 0.01 -1.26 -0.41 114.94 118.83 3ics s ASN 365 Ca -0.13 2.45 0.18 0.00 -0.71 0.00 0.00 52.86 54.65 3ics s ASN 365 Cb -0.06 -2.63 1.09 0.00 0.41 0.00 0.00 41.25 40.06 3ics s ASN 365 CO 0.01 -0.59 1.79 0.77 -1.51 0.00 0.00 177.10 177.57 3ics h SER 366 N 2.97 0.45 -5.14 -1.22 4.64 -0.76 -3.44 113.55 111.05 3ics h SER 366 Ca -0.49 0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 60.86 3ics h SER 366 Cb 1.23 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 3ics h SER 366 CO 0.64 0.12 0.10 -1.38 -0.87 0.00 0.00 176.83 175.43 3ics s HIS 367 N -5.48 0.24 -0.04 4.77 -3.43 -1.26 -4.10 115.29 105.99 3ics s HIS 367 Ca -0.09 -0.72 -0.39 0.00 -0.80 0.00 0.00 55.06 53.07 3ics s HIS 367 Cb 0.24 0.51 -0.17 0.00 -1.43 0.00 0.00 32.58 31.73 3ics s HIS 367 CO 0.79 -1.28 1.40 0.00 -2.00 0.00 0.00 174.74 173.65 3ics n ALA 368 N -0.48 -1.27 0.28 -1.38 0.00 -0.16 -4.80 120.51 112.70 3ics n ALA 368 Ca -0.04 0.50 0.12 0.00 0.00 0.00 0.00 53.44 54.02 3ics n ALA 368 Cb 0.60 -2.05 0.81 0.00 0.00 0.00 0.00 19.45 18.81 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 4.90 0.00 1.89 0.00 0.00 -1.92 -1.31 103.07 106.64 3ics h GLY 369 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3ics h GLY 369 CO 0.81 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.93 3ics n TYR 370 N -4.11 0.00 -4.28 5.60 0.18 -1.26 -4.70 117.16 108.59 3ics n TYR 370 Ca -0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.40 3ics n TYR 370 Cb 0.09 -0.45 -0.09 0.00 -0.38 0.00 0.00 39.34 38.51 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 -2.89 3.22 0.57 -3.48 6.14 -0.50 -5.07 117.35 115.34 3ics s TYR 371 Ca 0.13 0.19 -0.19 0.00 0.64 0.00 0.00 57.07 57.83 3ics s TYR 371 Cb 0.14 -1.85 -0.06 0.00 0.42 0.00 0.00 41.96 40.61 3ics s TYR 371 CO 0.37 0.44 0.89 -2.30 0.64 0.00 0.00 175.55 175.58 3ics n PRO 372 N 2.36 0.89 -2.31 4.97 -0.02 -1.26 -3.72 135.00 135.91 3ics n PRO 372 Ca -0.18 0.34 -0.14 0.00 -2.02 0.00 0.00 63.50 61.50 3ics n PRO 372 Cb 0.54 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.37 -4.27 -4.77 2.55 3.02 -1.26 -5.00 115.26 105.15 3ics n ASN 373 Ca 0.13 -0.03 -0.37 0.00 -0.03 0.00 0.00 54.58 54.28 3ics n ASN 373 Cb 0.46 -3.42 -0.02 0.00 -0.61 0.00 0.00 39.78 36.20 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 -2.71 2.99 0.01 5.41 0.00 -1.24 -4.97 121.76 121.25 3ics s ALA 374 Ca 0.02 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 3ics s ALA 374 Cb -0.01 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3ics s ALA 374 CO 0.02 -0.53 0.04 -0.08 0.00 0.00 0.00 175.76 175.22 3ics s THR 375 N -1.60 0.09 0.27 0.00 -1.32 -1.26 -4.93 115.64 106.89 3ics s THR 375 Ca 0.62 -0.73 -0.29 0.00 -1.21 0.00 0.00 61.69 60.08 3ics s THR 375 Cb -0.26 -0.30 -0.10 0.00 -1.51 0.00 0.00 72.50 70.33 3ics s THR 375 CO 0.32 -0.40 1.24 -2.84 -2.21 0.00 0.00 174.62 170.73 3ics s PRO 376 N -1.26 4.46 -0.16 7.08 0.02 -1.26 -0.06 135.00 143.81 3ics s PRO 376 Ca -0.14 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 62.91 3ics s PRO 376 Cb -0.08 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 3ics s PRO 376 CO 0.00 -0.08 -0.12 0.08 -0.33 0.00 0.00 177.00 176.55 3ics s VAL 377 N -0.77 2.95 -0.24 3.83 1.01 0.45 -4.02 120.40 123.61 3ics s VAL 377 Ca 0.50 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3ics s VAL 377 Cb -0.36 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3ics s VAL 377 CO 0.45 0.50 0.13 -0.22 0.00 0.00 0.00 175.10 175.95 3ics s LEU 378 N 0.83 3.86 -0.16 3.92 0.20 0.05 -1.08 118.68 126.30 3ics s LEU 378 Ca -0.04 -0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.76 3ics s LEU 378 Cb -0.15 -2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 43.56 3ics s LEU 378 CO 0.00 0.02 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.35 3ics s ILE 379 N 1.29 3.07 -0.22 6.68 1.01 0.59 -1.86 121.20 131.76 3ics s ILE 379 Ca 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 3ics s ILE 379 Cb -0.14 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3ics s ILE 379 CO 0.05 0.50 0.10 -0.75 0.00 0.00 0.00 174.94 174.84 3ics s LYS 380 N 0.71 3.93 -0.11 2.79 2.20 0.85 -0.38 119.74 129.72 3ics s LYS 380 Ca -0.05 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 3ics s LYS 380 Cb -0.15 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3ics s LYS 380 CO 0.02 0.09 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.71 3ics s LEU 381 N 0.90 2.04 -0.11 5.43 2.96 -0.43 -0.95 118.68 128.53 3ics s LEU 381 Ca 0.05 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3ics s LEU 381 Cb -0.13 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 3ics s LEU 381 CO 0.03 0.12 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.38 3ics s ILE 382 N 0.55 2.77 0.19 6.68 1.01 -0.29 -1.71 121.20 130.40 3ics s ILE 382 Ca -0.14 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 3ics s ILE 382 Cb -0.17 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.23 3ics s ILE 382 CO 0.05 0.54 0.62 0.72 0.00 0.00 0.00 174.94 176.87 3ics s PHE 383 N 0.16 -0.43 -0.13 3.97 -0.71 -0.60 -0.63 117.98 119.60 3ics s PHE 383 Ca -0.09 0.15 -0.26 0.00 -1.04 0.00 0.00 56.93 55.70 3ics s PHE 383 Cb -0.15 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.22 3ics s PHE 383 CO 0.05 -0.94 0.83 1.21 -1.34 0.00 0.00 175.22 175.03 3ics s ASN 384 N -2.80 7.01 0.54 1.98 3.84 0.02 -0.22 114.94 125.31 3ics s ASN 384 Ca 0.04 1.23 0.25 0.00 0.21 0.00 0.00 52.86 54.60 3ics s ASN 384 Cb -0.02 -2.46 1.53 0.00 -0.55 0.00 0.00 41.25 39.75 3ics s ASN 384 CO -0.08 -0.34 2.15 0.50 -2.79 0.00 0.00 177.10 176.54 3ics h LYS 385 N 7.17 0.00 0.02 0.43 3.64 -1.90 -0.07 116.57 125.86 3ics h LYS 385 Ca -0.32 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.69 3ics h LYS 385 Cb 1.15 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 3ics h LYS 385 CO 0.81 0.07 -2.04 -0.25 -2.27 0.00 0.00 179.45 175.77 3ics n ASP 386 N -3.92 1.96 -0.01 4.20 8.00 -1.26 -4.49 116.55 121.04 3ics n ASP 386 Ca -0.03 0.27 0.01 0.00 0.71 0.00 0.00 54.79 55.75 3ics n ASP 386 Cb 0.16 -0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 40.33 3ics n ASP 386 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ics n SER 387 N -4.02 0.40 0.00 -2.24 3.41 -1.23 -4.98 113.62 104.95 3ics n SER 387 Ca -0.43 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3ics n SER 387 Cb 0.87 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.72 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 1.43 1.17 3.61 5.00 0.00 -0.04 -4.88 105.19 111.48 3ics n GLY 388 Ca -0.13 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 1.45 -3.08 1.61 4.81 -1.26 -0.92 118.16 118.77 3ics n LYS 389 Ca 0.00 0.52 -0.41 0.00 -0.87 0.00 0.00 58.31 57.56 3ics n LYS 389 Cb 0.00 -2.17 -0.06 0.00 0.02 0.00 0.00 35.03 32.82 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 0.41 4.97 -0.04 3.15 1.01 -1.26 -0.80 121.20 128.64 3ics s ILE 390 Ca 0.80 1.20 0.10 0.00 0.00 0.00 0.00 60.65 62.75 3ics s ILE 390 Cb -0.85 -3.96 -0.23 0.00 0.01 0.00 0.00 42.46 37.43 3ics s ILE 390 CO 0.46 0.03 0.69 1.88 0.00 0.00 0.00 174.94 178.00 3ics h TYR 391 N 7.81 0.05 0.00 3.97 0.05 -1.23 -3.49 116.97 124.14 3ics h TYR 391 Ca -0.27 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.47 3ics h TYR 391 Cb 1.12 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 3ics h TYR 391 CO 0.75 1.07 0.00 0.41 -1.05 0.00 0.00 178.16 179.34 3ics n GLY 392 N 1.58 0.68 3.18 3.88 0.00 -1.11 -0.24 105.19 113.16 3ics n GLY 392 Ca -0.17 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.54 -0.00 4.61 0.00 -0.22 -1.14 121.76 122.48 3ics s ALA 393 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.01 3ics s ALA 393 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3ics s ALA 393 CO 0.00 -0.27 -0.08 -0.65 0.00 0.00 0.00 175.76 174.76 3ics s GLN 394 N -1.65 0.61 0.00 0.00 -0.21 -0.12 -1.00 119.66 117.29 3ics s GLN 394 Ca -0.12 -0.32 -0.00 0.00 0.02 0.00 0.00 55.36 54.94 3ics s GLN 394 Cb -0.05 -0.58 -0.00 0.00 1.00 0.00 0.00 33.01 33.38 3ics s GLN 394 CO 0.01 0.16 0.00 0.99 -2.12 0.00 0.00 175.29 174.33 3ics s THR 395 N -0.28 0.01 0.04 -0.19 2.01 -0.28 -0.11 115.64 116.86 3ics s THR 395 Ca 0.02 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 3ics s THR 395 Cb -0.04 -0.05 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 3ics s THR 395 CO -0.00 -0.06 0.12 -1.48 -0.69 0.00 0.00 174.62 172.51 3ics s LEU 396 N -0.17 1.70 0.00 4.42 0.05 -0.78 -0.49 118.68 123.42 3ics s LEU 396 Ca -0.02 -0.53 0.00 0.00 0.05 0.00 0.00 54.13 53.63 3ics s LEU 396 Cb -0.01 0.70 0.00 0.00 -2.05 0.00 0.00 46.19 44.83 3ics s LEU 396 CO -0.00 -0.54 0.00 0.61 -0.55 0.00 0.00 176.35 175.86 3ics n GLY 397 N 0.64 -0.54 0.10 -3.48 0.00 -0.87 -0.77 105.19 100.27 3ics n GLY 397 Ca -0.18 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.54 3ics n GLY 397 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ics n ARG 398 N -1.08 0.61 -3.59 1.61 1.74 -1.26 -0.05 116.66 114.64 3ics n ARG 398 Ca 0.00 0.16 -0.16 0.00 -0.77 0.00 0.00 57.85 57.08 3ics n ARG 398 Cb 0.00 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.46 29.56 3ics n ARG 398 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ics s ASP 399 N -5.54 -0.53 -0.02 0.55 2.15 -1.26 -4.69 116.67 107.32 3ics s ASP 399 Ca -0.02 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.55 3ics s ASP 399 Cb 0.09 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 3ics s ASP 399 CO 0.80 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.87 3ics n GLY 400 N 1.12 0.47 0.10 2.66 0.00 -1.26 -4.73 105.19 103.56 3ics n GLY 400 Ca -0.19 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 1.39 -0.87 1.61 2.07 -1.92 -3.11 116.25 115.43 3ics h VAL 401 Ca -0.00 -2.37 0.06 0.00 0.82 0.00 0.00 66.70 65.21 3ics h VAL 401 Cb 0.05 2.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 3ics h VAL 401 CO 0.01 0.60 0.54 -2.24 0.02 0.00 0.00 177.57 176.49 3ics h ASP 402 N -0.71 0.84 -0.27 0.57 2.03 -1.94 -2.47 116.42 114.47 3ics h ASP 402 Ca -0.17 0.02 0.01 0.00 -0.73 0.00 0.00 57.03 56.16 3ics h ASP 402 Cb 1.37 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.69 3ics h ASP 402 CO 0.01 0.54 0.15 0.50 -1.03 0.00 0.00 179.24 179.40 3ics h LYS 403 N 0.98 0.29 -1.28 4.15 3.64 -1.98 -1.13 116.57 121.24 3ics h LYS 403 Ca 0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3ics h LYS 403 Cb 0.19 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3ics h LYS 403 CO -0.18 0.19 0.00 0.54 -2.27 0.00 0.00 179.45 177.74 3ics n ARG 404 N -4.95 0.36 0.00 1.90 3.00 -0.93 -1.83 116.66 114.21 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 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.24 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 0.68 0.00 -0.06 0.55 9.92 -0.43 -1.88 116.55 125.33 3ics n ASP 406 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 3ics n ASP 406 Cb 0.16 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.60 3ics n ASP 406 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3ics h VAL 407 N 0.00 1.12 -0.46 2.53 2.07 -1.63 0.59 116.25 120.48 3ics h VAL 407 Ca 0.00 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3ics h VAL 407 Cb 0.00 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3ics h VAL 407 CO 0.00 0.12 0.06 0.40 0.02 0.00 0.00 177.57 178.16 3ics h ILE 408 N 0.24 1.25 -0.81 4.57 2.04 -1.65 0.18 117.51 123.33 3ics h ILE 408 Ca 0.08 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3ics h ILE 408 Cb 0.08 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3ics h ILE 408 CO -0.01 0.33 0.41 0.00 0.00 0.00 0.00 178.15 178.88 3ics h ALA 409 N 0.94 1.04 -0.08 1.87 0.00 -1.80 0.17 119.26 121.40 3ics h ALA 409 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ics h ALA 409 Cb 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ics h ALA 409 CO 0.01 0.58 0.02 1.15 0.00 0.00 0.00 179.25 181.01 3ics h THR 410 N 1.13 0.97 -0.80 0.00 2.02 -0.65 -2.28 112.91 113.31 3ics h THR 410 Ca 0.28 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.51 3ics h THR 410 Cb 0.08 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 3ics h THR 410 CO -0.04 0.01 0.47 0.00 0.37 0.00 0.00 175.52 176.33 3ics h ALA 411 N 1.05 1.11 0.11 6.16 0.00 -0.41 -1.32 119.26 125.96 3ics h ALA 411 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ics h ALA 411 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ics h ALA 411 CO -0.04 0.16 -0.05 0.82 0.00 0.00 0.00 179.25 180.13 3ics h ILE 412 N 0.84 0.97 0.00 0.00 2.04 -0.85 0.86 117.51 121.38 3ics h ILE 412 Ca 0.36 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3ics h ILE 412 Cb 0.24 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3ics h ILE 412 CO -0.20 0.07 -0.11 0.11 0.00 0.00 0.00 178.15 178.02 3ics h LYS 413 N -0.27 0.00 -0.26 2.37 1.57 -1.23 -0.02 116.57 118.73 3ics h LYS 413 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ics h LYS 413 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3ics h LYS 413 CO 0.02 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 3ics n ALA 414 N -2.25 2.47 -2.69 3.86 0.00 -0.51 -4.90 120.51 116.48 3ics n ALA 414 Ca -0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 3ics n ALA 414 Cb 0.24 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 0.27 -6.04 -4.82 0.00 5.03 -0.02 -4.99 115.26 104.68 3ics n ASN 415 Ca 0.10 -0.15 -0.33 0.00 0.87 0.00 0.00 54.58 55.07 3ics n ASN 415 Cb 0.23 -4.96 -0.07 0.00 -1.02 0.00 0.00 39.78 33.97 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 -6.35 3.94 0.47 3.41 1.43 0.27 -5.03 118.68 116.82 3ics s LEU 416 Ca 0.14 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.98 3ics s LEU 416 Cb -0.06 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.67 3ics s LEU 416 CO 0.18 -0.36 0.54 0.42 0.23 0.00 0.00 176.35 177.37 3ics s THR 417 N -2.18 2.55 0.60 5.49 -4.23 -1.26 -4.49 115.64 112.12 3ics s THR 417 Ca 0.61 -1.16 0.32 0.00 -1.18 0.00 0.00 61.69 60.28 3ics s THR 417 Cb -0.09 -2.71 0.37 0.00 1.34 0.00 0.00 72.50 71.41 3ics s THR 417 CO 0.14 0.00 2.26 -0.37 -0.54 0.00 0.00 174.62 176.10 3ics h VAL 418 N 0.66 0.44 0.00 2.29 -1.51 -1.36 -1.56 116.25 115.21 3ics h VAL 418 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3ics h VAL 418 Cb 1.28 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3ics h VAL 418 CO 0.49 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.76 3ics h LEU 419 N 0.00 0.00 0.00 4.19 3.38 -1.85 -3.03 115.31 118.00 3ics h LEU 419 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 3ics h LEU 419 Cb 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3ics h LEU 419 CO -0.00 0.00 -1.59 0.47 0.09 0.00 0.00 178.44 177.41 3ics n ASP 420 N -2.59 0.84 -0.33 -0.43 8.00 -0.59 -4.45 116.55 117.00 3ics n ASP 420 Ca 0.03 0.38 0.03 0.00 0.71 0.00 0.00 54.79 55.94 3ics n ASP 420 Cb 0.33 0.08 0.17 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.87 -2.10 0.64 3.38 -1.51 -0.75 115.31 115.84 3ics h LEU 421 Ca -0.23 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ics h LEU 421 Cb 1.81 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3ics h LEU 421 CO 0.06 0.53 0.00 -0.65 0.09 0.00 0.00 178.44 178.47 3ics h PRO 422 N 0.99 0.00 -0.63 1.13 0.11 -1.75 -2.70 132.00 129.15 3ics h PRO 422 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3ics h PRO 422 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3ics h PRO 422 CO -0.20 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.12 3ics n ASP 423 N -2.71 3.82 -4.61 -2.05 2.03 -0.29 -4.88 116.55 107.86 3ics n ASP 423 Ca -0.02 -2.00 -0.43 0.00 0.52 0.00 0.00 54.79 52.86 3ics n ASP 423 Cb 0.09 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 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 -1.16 3.74 -0.69 -2.67 1.43 -1.02 -4.96 118.68 113.35 3ics s LEU 424 Ca 0.46 0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 54.12 3ics s LEU 424 Cb 0.25 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.97 3ics s LEU 424 CO 0.33 -1.17 1.16 -0.70 0.23 0.00 0.00 176.35 176.20 3ics s GLU 425 N 4.32 3.20 0.44 1.70 2.12 -1.26 -4.91 118.70 124.31 3ics s GLU 425 Ca 0.52 -0.39 0.08 0.00 0.36 0.00 0.00 54.97 55.53 3ics s GLU 425 Cb -0.11 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 30.10 3ics s GLU 425 CO 0.27 -1.98 0.48 -0.51 -0.54 0.00 0.00 175.26 172.98 3ics s LEU 426 N 5.06 3.39 -0.22 2.70 1.43 -1.26 -5.06 118.68 124.72 3ics s LEU 426 Ca 0.31 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 3ics s LEU 426 Cb -0.11 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3ics s LEU 426 CO 0.14 -0.79 1.25 -0.44 0.23 0.00 0.00 176.35 176.75 3ics s SER 427 N -4.26 6.87 -0.19 2.29 0.01 -1.26 -5.01 113.70 112.15 3ics s SER 427 Ca 0.50 1.50 0.01 0.00 1.31 0.00 0.00 55.95 59.27 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 0.30 -0.86 -0.12 -0.47 0.41 0.00 0.00 173.24 172.50 3ics s TYR 428 N 3.76 2.43 0.07 2.43 6.04 -1.26 -4.44 117.35 126.38 3ics s TYR 428 Ca 0.54 -1.56 -0.09 0.00 0.04 0.00 0.00 57.07 56.00 3ics s TYR 428 Cb -0.19 -1.66 0.00 0.00 -1.04 0.00 0.00 41.96 39.07 3ics s TYR 428 CO 0.17 -0.74 0.19 0.00 -1.54 0.00 0.00 175.55 173.63 3ics s ALA 429 N 1.39 -0.28 0.32 3.97 0.00 -1.26 -5.00 121.76 120.90 3ics s ALA 429 Ca -0.00 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.58 3ics s ALA 429 Cb -0.16 0.39 0.94 0.00 0.00 0.00 0.00 23.12 24.29 3ics s ALA 429 CO -0.09 -0.44 1.62 -1.35 0.00 0.00 0.00 175.76 175.50 3ics h PRO 430 N 3.07 0.13 0.00 0.00 0.11 -1.98 0.62 132.00 133.96 3ics h PRO 430 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ics h PRO 430 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ics h PRO 430 CO 0.53 0.09 0.00 -2.30 -0.21 0.00 0.00 178.00 176.10 3ics n PRO 431 N -5.26 0.17 -0.04 1.05 -0.02 -1.26 -3.44 135.00 126.20 3ics n PRO 431 Ca 0.28 0.39 -0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3ics n PRO 431 Cb 0.90 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 3ics n PRO 431 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ics n TYR 432 N -2.12 0.00 -2.60 6.00 4.01 0.18 -4.86 117.16 117.77 3ics n TYR 432 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3ics n TYR 432 Cb 0.23 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 -2.48 0.00 -4.49 7.72 2.88 -1.03 -4.56 113.62 111.67 3ics n SER 433 Ca -0.13 -0.44 -0.24 0.00 -1.33 0.00 0.00 58.87 56.74 3ics n SER 433 Cb 0.70 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.69 3.26 0.45 -3.46 0.01 -1.26 -0.99 113.70 112.41 3ics s SER 434 Ca 0.00 -1.19 0.19 0.00 1.31 0.00 0.00 55.95 56.26 3ics s SER 434 Cb 0.00 -0.26 1.15 0.00 0.21 0.00 0.00 66.02 67.12 3ics s SER 434 CO 0.00 -0.26 1.93 0.00 0.41 0.00 0.00 173.24 175.31 3ics h ALA 435 N 2.15 2.24 -3.25 1.44 0.00 -1.97 -3.00 119.26 116.88 3ics h ALA 435 Ca -0.41 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.81 3ics h ALA 435 Cb 1.24 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 3ics h ALA 435 CO 0.69 -0.45 -0.65 0.15 0.00 0.00 0.00 179.25 178.99 3ics s LYS 436 N -5.31 2.64 0.69 0.00 1.02 -1.26 -5.03 119.74 112.49 3ics s LYS 436 Ca -0.07 -1.15 -0.17 0.00 0.02 0.00 0.00 55.97 54.60 3ics s LYS 436 Cb 0.21 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.20 3ics s LYS 436 CO 0.76 -0.61 1.26 0.34 -0.92 0.00 0.00 175.35 176.18 3ics s ASP 437 N 1.37 4.36 0.42 2.83 2.15 -1.14 -4.87 116.67 121.78 3ics s ASP 437 Ca -0.02 2.51 0.25 0.00 0.43 0.00 0.00 52.55 55.72 3ics s ASP 437 Cb -0.19 -2.61 1.31 0.00 -0.30 0.00 0.00 42.92 41.13 3ics s ASP 437 CO 0.01 -2.16 1.66 -0.65 -0.17 0.00 0.00 175.17 173.86 3ics h PRO 438 N 0.12 0.18 -0.31 4.34 0.11 -1.90 -0.45 132.00 134.09 3ics h PRO 438 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3ics h PRO 438 Cb 1.32 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3ics h PRO 438 CO 0.51 0.12 0.03 0.28 -0.21 0.00 0.00 178.00 178.73 3ics h VAL 439 N 0.18 1.24 0.00 3.15 2.07 -1.93 -0.44 116.25 120.52 3ics h VAL 439 Ca 0.75 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3ics h VAL 439 Cb 2.19 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3ics h VAL 439 CO -0.42 0.28 0.00 0.59 0.02 0.00 0.00 177.57 178.04 3ics n ASN 440 N -4.60 0.00 0.00 0.57 5.03 -0.18 -1.79 115.26 114.29 3ics n ASN 440 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 3ics n ASN 440 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 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 0.49 0.00 -0.24 2.41 3.14 -0.18 -0.76 118.33 123.20 3ics n VAL 442 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 3ics n VAL 442 Cb 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.82 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 1.18 0.92 7.55 0.00 -1.60 -1.00 103.07 110.12 3ics h GLY 443 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 3ics h GLY 443 CO 0.00 0.72 0.04 -0.97 0.00 0.00 0.00 176.54 176.32 3ics h TYR 444 N 1.02 0.68 -0.21 5.60 0.05 -1.22 0.40 116.97 123.29 3ics h TYR 444 Ca 0.21 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3ics h TYR 444 Cb 0.42 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3ics h TYR 444 CO 0.03 0.70 0.12 0.00 -1.05 0.00 0.00 178.16 177.96 3ics h ALA 445 N 0.89 0.27 -0.69 3.88 0.00 -1.80 -1.46 119.26 120.35 3ics h ALA 445 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3ics h ALA 445 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ics h ALA 445 CO 0.01 -0.22 0.18 0.00 0.00 0.00 0.00 179.25 179.22 3ics h ALA 446 N 1.03 0.91 -0.44 0.00 0.00 -1.13 -2.84 119.26 116.79 3ics h ALA 446 Ca 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ics h ALA 446 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ics h ALA 446 CO -0.01 0.63 0.26 0.77 0.00 0.00 0.00 179.25 180.89 3ics h SER 447 N 1.04 0.52 0.29 0.00 0.02 -0.69 -1.01 113.55 113.72 3ics h SER 447 Ca 0.22 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3ics h SER 447 Cb 0.36 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3ics h SER 447 CO 0.00 0.41 -0.33 0.78 -1.14 0.00 0.00 176.83 176.54 3ics h ASN 448 N 0.60 0.07 -0.00 3.07 2.35 -1.02 0.24 115.58 120.88 3ics h ASN 448 Ca 0.16 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3ics h ASN 448 Cb -0.01 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3ics h ASN 448 CO -0.03 0.40 -0.00 0.40 -1.65 0.00 0.00 177.43 176.55 3ics h ILE 449 N 0.06 1.61 -0.70 2.81 2.04 -1.34 0.29 117.51 122.28 3ics h ILE 449 Ca 0.01 -1.80 0.11 0.00 1.00 0.00 0.00 64.86 64.17 3ics h ILE 449 Cb 0.62 2.83 -0.08 0.00 -0.74 0.00 0.00 36.82 39.46 3ics h ILE 449 CO 0.05 0.47 0.31 0.58 0.00 0.00 0.00 178.15 179.55 3ics h VAL 450 N -0.76 0.78 -0.00 1.67 2.07 -1.04 -2.02 116.25 116.95 3ics h VAL 450 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3ics h VAL 450 Cb 0.77 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3ics h VAL 450 CO 0.00 0.09 -0.04 0.47 0.02 0.00 0.00 177.57 178.12 3ics n ASP 451 N -4.93 0.09 -0.10 0.57 8.00 0.83 -4.90 116.55 116.10 3ics n ASP 451 Ca 0.11 -0.08 -0.01 0.00 0.71 0.00 0.00 54.79 55.52 3ics n ASP 451 Cb 0.31 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.34 0.49 0.17 0.44 0.00 -0.76 -4.93 105.19 101.94 3ics n GLY 452 Ca 0.12 -0.91 0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.47 1.61 0.04 -0.70 -3.45 116.94 110.97 3ics h PHE 453 Ca -0.03 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.56 3ics h PHE 453 Cb 0.09 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 37.99 3ics h PHE 453 CO 0.04 0.38 -0.56 0.54 -0.60 0.00 0.00 178.31 178.11 3ics s VAL 454 N -3.26 0.03 -0.03 -0.55 0.11 -0.91 -4.74 120.40 111.05 3ics s VAL 454 Ca 0.03 -0.22 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 3ics s VAL 454 Cb 0.09 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 3ics s VAL 454 CO 0.70 -0.12 -0.10 -0.62 -3.33 0.00 0.00 175.10 171.63 3ics s ASP 455 N -0.37 4.38 0.09 3.54 -1.08 -1.26 -4.31 116.67 117.66 3ics s ASP 455 Ca -0.04 -0.15 0.02 0.00 -0.52 0.00 0.00 52.55 51.86 3ics s ASP 455 Cb -0.03 -1.00 -0.04 0.00 -1.46 0.00 0.00 42.92 40.40 3ics s ASP 455 CO 0.00 0.32 -0.08 0.42 0.52 0.00 0.00 175.17 176.36 3ics s THR 456 N -0.86 0.71 0.28 1.71 -4.23 -1.26 -1.45 115.64 110.54 3ics s THR 456 Ca 0.14 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.05 3ics s THR 456 Cb -0.11 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 3ics s THR 456 CO 0.03 -0.70 -0.14 0.68 -0.54 0.00 0.00 174.62 173.95 3ics s VAL 457 N -2.90 2.11 0.32 2.29 -7.23 -0.49 -4.88 120.40 109.62 3ics s VAL 457 Ca 0.06 -2.27 0.04 0.00 -1.81 0.00 0.00 61.98 57.99 3ics s VAL 457 Cb 0.00 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 3ics s VAL 457 CO -0.03 -0.39 0.47 -1.10 -0.31 0.00 0.00 175.10 173.75 3ics s GLN 458 N -3.60 3.32 0.41 4.82 -1.52 -1.26 -1.71 119.66 120.12 3ics s GLN 458 Ca 0.29 -0.69 0.22 0.00 -1.95 0.00 0.00 55.36 53.23 3ics s GLN 458 Cb -0.01 -2.78 1.21 0.00 -0.22 0.00 0.00 33.01 31.22 3ics s GLN 458 CO 0.13 0.18 1.73 0.11 -0.25 0.00 0.00 175.29 177.19 3ics h TRP 459 N 0.90 0.59 -0.01 0.91 5.08 -1.96 -0.84 115.95 120.63 3ics h TRP 459 Ca -0.49 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3ics h TRP 459 Cb 1.24 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 3ics h TRP 459 CO 0.46 -0.02 -0.06 -2.39 -1.28 0.00 0.00 178.44 175.15 3ics n HIS 460 N -4.63 0.00 -0.06 0.12 1.44 -1.26 -3.93 115.22 106.89 3ics n HIS 460 Ca 0.29 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.94 3ics n HIS 460 Cb 1.05 -0.09 -0.11 0.00 0.12 0.00 0.00 29.99 30.96 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 -0.67 1.66 -0.20 -1.40 1.02 -0.35 -4.79 120.64 115.92 3ics n GLU 461 Ca 0.18 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 3ics n GLU 461 Cb 0.26 -1.35 0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.20 -0.26 -3.67 6.09 -1.61 -2.43 117.51 116.83 3ics h ILE 462 Ca -0.35 -0.56 -0.00 0.00 -1.37 0.00 0.00 64.86 62.58 3ics h ILE 462 Cb 1.78 0.51 -0.01 0.00 0.47 0.00 0.00 36.82 39.57 3ics h ILE 462 CO 0.02 0.23 0.14 0.44 -3.07 0.00 0.00 178.15 175.91 3ics h ASP 463 N 0.78 0.32 -0.63 2.19 3.32 -1.87 -0.06 116.42 120.47 3ics h ASP 463 Ca 0.20 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3ics h ASP 463 Cb 0.10 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3ics h ASP 463 CO -0.03 0.31 0.38 -0.09 -1.72 0.00 0.00 179.24 178.09 3ics h ARG 464 N 0.30 0.88 -0.45 3.56 2.43 -1.86 0.03 114.38 119.28 3ics h ARG 464 Ca 0.09 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ics h ARG 464 Cb 0.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3ics h ARG 464 CO -0.01 0.62 0.23 0.82 -1.51 0.00 0.00 179.97 180.11 3ics h ILE 465 N 0.89 1.18 -0.37 1.20 2.04 -0.96 -1.53 117.51 119.95 3ics h ILE 465 Ca 0.23 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3ics h ILE 465 Cb -0.02 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3ics h ILE 465 CO -0.04 0.19 0.04 0.58 0.00 0.00 0.00 178.15 178.92 3ics h VAL 466 N 0.59 1.25 -0.73 1.67 2.07 -0.33 0.79 116.25 121.55 3ics h VAL 466 Ca 0.16 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.87 3ics h VAL 466 Cb 0.10 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3ics h VAL 466 CO -0.02 0.30 0.48 -0.33 0.02 0.00 0.00 177.57 178.02 3ics h GLU 467 N 0.47 0.63 -0.09 1.57 5.08 -0.94 -2.13 114.58 119.16 3ics h GLU 467 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ics h GLU 467 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ics h GLU 467 CO 0.01 0.41 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 3ics n ASN 468 N -4.49 0.95 0.00 1.42 3.02 -0.58 -4.88 115.26 110.70 3ics n ASN 468 Ca 0.12 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 3ics n ASN 468 Cb 0.32 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.00 1.23 3.74 7.41 0.00 -0.80 -5.06 105.19 112.72 3ics n GLY 469 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.35 -0.44 -0.02 0.00 0.24 -4.71 107.32 102.74 3ics s GLY 470 Ca 0.00 1.29 -0.18 0.00 0.00 0.00 0.00 44.72 45.84 3ics s GLY 470 CO 0.00 2.24 0.47 -0.47 0.00 0.00 0.00 173.10 175.34 3ics s TYR 471 N 0.00 3.15 -0.32 1.90 5.04 -0.89 -4.52 117.35 121.72 3ics s TYR 471 Ca 0.59 -0.44 -0.11 0.00 -2.44 0.00 0.00 57.07 54.66 3ics s TYR 471 Cb -0.41 -3.04 -0.02 0.00 0.35 0.00 0.00 41.96 38.85 3ics s TYR 471 CO 0.42 -0.77 0.20 -1.17 -1.34 0.00 0.00 175.55 172.89 3ics s LEU 472 N 2.19 4.29 -0.24 6.97 2.96 -1.26 -0.61 118.68 132.98 3ics s LEU 472 Ca 0.12 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 3ics s LEU 472 Cb -0.18 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 3ics s LEU 472 CO 0.13 -0.19 0.09 -0.63 -1.32 0.00 0.00 176.35 174.43 3ics s ILE 473 N 1.68 4.57 -0.34 6.68 1.01 0.78 -0.39 121.20 135.20 3ics s ILE 473 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 3ics s ILE 473 Cb -0.17 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 3ics s ILE 473 CO 0.09 0.34 0.63 -0.62 0.00 0.00 0.00 174.94 175.38 3ics s ASP 474 N 1.42 6.44 -0.01 3.58 3.68 0.10 -1.51 116.67 130.37 3ics s ASP 474 Ca 0.06 0.22 0.18 0.00 2.13 0.00 0.00 52.55 55.14 3ics s ASP 474 Cb -0.15 -2.33 0.54 0.00 -1.45 0.00 0.00 42.92 39.53 3ics s ASP 474 CO 0.05 -0.56 1.44 1.33 0.13 0.00 0.00 175.17 177.56 3ics n VAL 475 N 5.53 0.88 -1.23 1.11 0.24 0.40 -1.43 118.33 123.83 3ics n VAL 475 Ca -0.01 -0.82 -0.30 0.00 -2.04 0.00 0.00 64.34 61.17 3ics n VAL 475 Cb 0.49 0.36 0.12 0.00 -1.47 0.00 0.00 33.84 33.34 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 -1.27 1.64 0.50 7.34 0.52 -1.26 -0.82 118.95 125.60 3ics s ARG 476 Ca 0.40 0.94 -0.21 0.00 -0.52 0.00 0.00 55.73 56.35 3ics s ARG 476 Cb 0.22 -1.84 -0.07 0.00 0.52 0.00 0.00 34.95 33.77 3ics s ARG 476 CO 0.26 -2.01 1.11 -1.21 0.02 0.00 0.00 175.30 173.48 3ics s GLU 477 N -4.93 3.60 0.54 3.54 0.41 -1.26 -4.01 118.70 116.59 3ics s GLU 477 Ca 0.63 1.59 0.27 0.00 -0.41 0.00 0.00 54.97 57.04 3ics s GLU 477 Cb -0.18 -2.16 1.43 0.00 -1.78 0.00 0.00 34.13 31.45 3ics s GLU 477 CO 0.57 -0.64 1.98 -1.35 -0.49 0.00 0.00 175.26 175.32 3ics h PRO 478 N 1.57 0.00 0.00 0.39 0.11 -1.98 -1.06 132.00 131.03 3ics h PRO 478 Ca -0.50 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3ics h PRO 478 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ics h PRO 478 CO 0.58 0.00 -0.32 -0.91 -0.21 0.00 0.00 178.00 177.14 3ics h ASN 479 N 0.00 0.00 0.91 -2.05 4.21 -2.04 -2.90 115.58 113.70 3ics h ASN 479 Ca 0.26 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.75 3ics h ASN 479 Cb 1.08 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.28 3ics h ASN 479 CO -0.00 0.32 -0.11 -0.33 -1.29 0.00 0.00 177.43 176.02 3ics h GLU 480 N 0.00 0.00 0.00 0.81 5.08 -1.56 -3.07 114.58 115.84 3ics h GLU 480 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ics h GLU 480 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3ics h GLU 480 CO 0.04 0.11 0.00 -0.07 -1.00 0.00 0.00 179.01 178.09 3ics h LEU 481 N 0.00 0.00 -1.65 1.33 4.07 -1.62 -2.45 115.31 115.00 3ics h LEU 481 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3ics h LEU 481 Cb 0.59 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 3ics h LEU 481 CO 0.01 0.00 -0.20 0.11 -1.08 0.00 0.00 178.44 177.29 3ics h LYS 482 N 0.00 0.00 0.00 1.13 1.57 -1.72 -0.57 116.57 116.98 3ics h LYS 482 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ics h LYS 482 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3ics h LYS 482 CO 0.00 0.20 -0.01 1.96 -0.57 0.00 0.00 179.45 181.02 3ics h GLN 483 N 0.00 0.00 0.00 3.15 4.20 -1.66 -3.50 115.11 117.30 3ics h GLN 483 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ics h GLN 483 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3ics h GLN 483 CO 0.03 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 3ics n GLY 484 N -1.20 0.67 3.81 3.46 0.00 -0.22 -5.05 105.19 106.65 3ics n GLY 484 Ca -0.03 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.03 5.14 0.27 -0.61 1.01 -1.26 -4.58 121.20 120.15 3ics s ILE 486 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 3ics s ILE 486 Cb 0.00 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.65 3ics s ILE 486 CO 0.00 0.52 1.25 1.17 0.00 0.00 0.00 174.94 177.88 3ics n LYS 487 N 2.36 1.80 -0.87 2.79 4.81 -1.26 -2.40 118.16 125.39 3ics n LYS 487 Ca -0.13 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3ics n LYS 487 Cb 0.52 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.39 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 1.52 0.69 3.77 3.14 0.00 -1.26 -4.99 105.19 108.05 3ics n GLY 488 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.34 6.37 -0.12 1.61 0.01 -1.01 -4.37 113.70 113.85 3ics s SER 489 Ca 0.00 2.48 0.03 0.00 1.31 0.00 0.00 55.95 59.77 3ics s SER 489 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3ics s SER 489 CO 0.00 -0.79 -0.21 -0.63 0.41 0.00 0.00 173.24 172.02 3ics s ILE 490 N -1.35 1.91 -0.36 1.44 1.09 0.48 -4.93 121.20 119.49 3ics s ILE 490 Ca 0.58 -0.90 -0.23 0.00 -1.10 0.00 0.00 60.65 59.00 3ics s ILE 490 Cb -0.34 -1.69 0.01 0.00 -1.06 0.00 0.00 42.46 39.38 3ics s ILE 490 CO 0.43 0.52 0.76 0.21 -0.10 0.00 0.00 174.94 176.76 3ics s ASN 491 N 0.77 6.54 -0.29 3.58 3.04 -1.26 0.00 114.94 127.32 3ics s ASN 491 Ca -0.09 0.35 -0.01 0.00 0.04 0.00 0.00 52.86 53.15 3ics s ASN 491 Cb -0.16 -2.39 0.09 0.00 -1.54 0.00 0.00 41.25 37.26 3ics s ASN 491 CO 0.00 -0.70 0.08 -0.63 -3.04 0.00 0.00 177.10 172.81 3ics s ILE 492 N 3.03 0.86 0.20 -5.21 1.01 -0.51 -4.94 121.20 115.63 3ics s ILE 492 Ca 0.30 -1.29 -0.33 0.00 0.00 0.00 0.00 60.65 59.34 3ics s ILE 492 Cb -0.13 -1.60 -0.14 0.00 0.01 0.00 0.00 42.46 40.59 3ics s ILE 492 CO 0.16 -0.60 1.35 -2.65 0.00 0.00 0.00 174.94 173.21 3ics n PRO 493 N 4.86 1.71 -0.30 2.79 -0.02 -1.26 -4.12 135.00 138.67 3ics n PRO 493 Ca -0.03 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3ics n PRO 493 Cb 0.43 -2.23 0.26 0.00 -0.02 0.00 0.00 33.50 31.93 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 4.21 -0.20 -0.68 2.45 6.46 -1.23 0.92 115.31 127.25 3ics h LEU 494 Ca -0.45 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3ics h LEU 494 Cb 1.30 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 3ics h LEU 494 CO 0.76 -0.21 0.00 0.44 -0.62 0.00 0.00 178.44 178.81 3ics h ASP 495 N 0.13 0.00 0.34 1.25 3.32 -1.88 -2.39 116.42 117.18 3ics h ASP 495 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 3ics h ASP 495 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3ics h ASP 495 CO -0.72 0.00 -1.26 -0.62 -1.72 0.00 0.00 179.24 174.92 3ics n GLU 496 N -2.49 0.38 -0.12 3.56 1.02 0.22 -4.65 120.64 118.55 3ics n GLU 496 Ca 0.03 -0.04 -0.06 0.00 -0.02 0.00 0.00 57.16 57.07 3ics n GLU 496 Cb 0.31 -1.59 0.03 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.18 -2.22 -4.62 5.85 -0.74 -0.49 115.31 113.27 3ics h LEU 497 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ics h LEU 497 Cb 0.80 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3ics h LEU 497 CO 0.00 0.14 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.15 3ics h ARG 498 N 0.33 0.00 0.00 1.25 2.43 -1.83 -0.25 114.38 116.31 3ics h ARG 498 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3ics h ARG 498 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3ics h ARG 498 CO -0.17 0.00 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.40 3ics h ASP 499 N 0.00 0.00 -0.13 -3.80 3.32 -1.43 -3.36 116.42 111.02 3ics h ASP 499 Ca -0.00 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 3ics h ASP 499 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3ics h ASP 499 CO 0.00 0.05 -0.26 0.54 -1.72 0.00 0.00 179.24 177.85 3ics n ARG 500 N -2.35 1.71 0.14 3.56 1.74 -0.14 -4.78 116.66 116.55 3ics n ARG 500 Ca 0.03 -3.14 0.14 0.00 -0.77 0.00 0.00 57.85 54.11 3ics n ARG 500 Cb 0.46 -1.68 0.67 0.00 -1.02 0.00 0.00 32.46 30.89 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 0.91 0.00 -2.48 0.55 3.38 -1.64 -0.22 115.31 115.81 3ics h LEU 501 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ics h LEU 501 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ics h LEU 501 CO 0.14 0.00 -0.02 -0.08 0.09 0.00 0.00 178.44 178.57 3ics h GLU 502 N 0.00 0.00 0.00 1.13 4.81 -1.90 0.08 114.58 118.70 3ics h GLU 502 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ics h GLU 502 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3ics h GLU 502 CO -0.00 0.02 0.00 0.93 -0.73 0.00 0.00 179.01 179.23 3ics h GLU 503 N 0.00 0.00 -5.69 1.92 5.08 -1.42 -3.44 114.58 111.02 3ics h GLU 503 Ca -0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3ics h GLU 503 Cb 0.12 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 3ics h GLU 503 CO 0.00 0.00 0.32 0.08 -1.00 0.00 0.00 179.01 178.41 3ics s VAL 504 N -3.12 4.91 0.23 3.13 1.01 0.01 -5.03 120.40 121.54 3ics s VAL 504 Ca 0.10 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3ics s VAL 504 Cb 0.11 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 3ics s VAL 504 CO 0.60 -0.01 1.34 -2.16 0.00 0.00 0.00 175.10 174.87 3ics s PRO 505 N 2.56 4.35 0.00 2.72 0.04 -1.26 -4.93 135.00 138.48 3ics s PRO 505 Ca 0.32 2.14 0.22 0.00 0.04 0.00 0.00 61.00 63.72 3ics s PRO 505 Cb -0.16 -3.15 0.61 0.00 0.04 0.00 0.00 34.50 31.84 3ics s PRO 505 CO 0.08 -0.29 1.51 0.28 0.04 0.00 0.00 177.00 178.63 3ics n VAL 506 N 2.29 0.89 0.03 -0.36 0.31 -1.26 -4.15 118.33 116.08 3ics n VAL 506 Ca 0.05 -0.92 0.04 0.00 -0.01 0.00 0.00 64.34 63.50 3ics n VAL 506 Cb 0.42 0.54 0.08 0.00 -0.91 0.00 0.00 33.84 33.97 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 1.57 2.28 -4.21 4.52 5.75 -1.26 -5.00 116.55 120.19 3ics n ASP 507 Ca 0.23 -1.76 -0.18 0.00 -0.01 0.00 0.00 54.79 53.07 3ics n ASP 507 Cb 0.60 -0.10 -0.12 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.87 0.93 -0.06 0.11 1.02 -1.26 -5.11 119.74 114.50 3ics s LYS 508 Ca 0.13 -1.11 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 3ics s LYS 508 Cb 0.07 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.47 3ics s LYS 508 CO 0.10 0.18 1.21 -0.51 -0.92 0.00 0.00 175.35 175.42 3ics s ASP 509 N -2.10 7.03 -0.05 2.83 1.11 -1.26 -4.86 116.67 119.36 3ics s ASP 509 Ca 0.04 1.82 -0.17 0.00 0.18 0.00 0.00 52.55 54.42 3ics s ASP 509 Cb -0.07 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 3ics s ASP 509 CO 0.03 -0.60 0.46 -0.63 1.18 0.00 0.00 175.17 175.61 3ics s ILE 510 N 2.29 5.08 -0.03 0.77 -1.09 -0.85 -2.09 121.20 125.28 3ics s ILE 510 Ca 0.56 0.94 0.05 0.00 -2.23 0.00 0.00 60.65 59.97 3ics s ILE 510 Cb -0.25 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3ics s ILE 510 CO 0.22 0.44 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.89 3ics s TYR 511 N -0.17 1.67 -0.04 3.97 1.51 0.22 -1.32 117.35 123.20 3ics s TYR 511 Ca 0.25 -0.43 0.07 0.00 -1.01 0.00 0.00 57.07 55.95 3ics s TYR 511 Cb -0.16 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 3ics s TYR 511 CO 0.12 -0.12 -0.25 0.42 -1.11 0.00 0.00 175.55 174.61 3ics s ILE 512 N -0.11 2.02 0.04 2.71 -1.09 0.17 -0.15 121.20 124.78 3ics s ILE 512 Ca -0.00 -1.07 0.04 0.00 -2.23 0.00 0.00 60.65 57.39 3ics s ILE 512 Cb -0.10 -1.69 -0.02 0.00 -1.58 0.00 0.00 42.46 39.07 3ics s ILE 512 CO 0.01 0.57 -0.11 0.28 -1.23 0.00 0.00 174.94 174.45 3ics s THR 513 N -0.37 0.87 0.00 2.92 -1.32 -0.57 -0.06 115.64 117.12 3ics s THR 513 Ca 0.03 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 3ics s THR 513 Cb -0.12 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 3ics s THR 513 CO 0.01 -0.16 0.00 0.00 -2.21 0.00 0.00 174.62 172.27 3ics h GLN 515 N 0.00 0.15 0.00 0.00 5.75 -1.92 0.31 115.11 119.40 3ics h GLN 515 Ca 0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 3ics h GLN 515 Cb 0.00 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.65 3ics h GLN 515 CO 0.00 1.12 -0.34 1.28 -2.65 0.00 0.00 178.83 178.25 3ics n LEU 516 N -4.14 0.08 0.00 -2.39 4.77 -1.26 -0.55 117.00 113.52 3ics n LEU 516 Ca -0.25 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3ics n LEU 516 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3ics n LEU 516 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3ics n GLY 517 N 1.36 1.51 0.00 -0.72 0.00 -1.26 -3.83 105.19 102.25 3ics n GLY 517 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.20 0.00 -0.21 1.61 1.74 -1.26 -0.87 116.66 117.47 3ics n ARG 519 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3ics n ARG 519 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 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 1.14 0.92 -0.13 0.00 -1.92 -1.60 103.07 101.47 3ics h GLY 520 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 47.33 46.52 3ics h GLY 520 CO 0.00 0.76 0.18 -1.82 0.00 0.00 0.00 176.54 175.67 3ics h TYR 521 N 0.96 0.35 -0.51 5.60 3.20 -1.38 0.16 116.97 125.35 3ics h TYR 521 Ca 0.17 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3ics h TYR 521 Cb 0.54 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3ics h TYR 521 CO 0.04 0.20 0.33 0.28 -1.64 0.00 0.00 178.16 177.37 3ics h VAL 522 N 0.38 1.11 -0.67 1.81 2.07 -1.80 0.47 116.25 119.61 3ics h VAL 522 Ca 0.13 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3ics h VAL 522 Cb 0.01 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3ics h VAL 522 CO -0.06 0.12 0.43 0.00 0.02 0.00 0.00 177.57 178.08 3ics h ALA 523 N 1.20 0.85 -0.20 1.67 0.00 -1.13 -2.93 119.26 118.72 3ics h ALA 523 Ca 0.19 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ics h ALA 523 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ics h ALA 523 CO -0.06 0.29 0.04 0.00 0.00 0.00 0.00 179.25 179.53 3ics h ALA 524 N 1.23 0.20 0.00 0.00 0.00 0.03 -1.32 119.26 119.41 3ics h ALA 524 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ics h ALA 524 Cb -0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ics h ALA 524 CO -0.05 -0.39 0.00 0.54 0.00 0.00 0.00 179.25 179.35 3ics n ARG 525 N -5.08 0.00 -0.43 0.00 5.12 0.09 -4.58 116.66 111.78 3ics n ARG 525 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3ics n ARG 525 Cb 0.09 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 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 0.36 0.00 0.00 0.55 4.77 -0.50 -4.69 117.00 117.50 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 -0.83 120.64 121.17 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 0.53 0.00 -0.57 0.00 0.00 31.44 31.40 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 1.59 -0.52 3.49 4.76 -1.26 -4.93 118.16 121.29 3ics n LYS 530 Ca 0.00 -0.86 0.00 0.00 -2.87 0.00 0.00 58.31 54.58 3ics n LYS 530 Cb 0.00 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 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 0.73 3.85 0.72 0.00 -0.92 -5.07 105.19 105.62 3ics n GLY 531 Ca 0.18 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 3.66 -0.21 1.61 1.51 -0.01 -5.06 117.35 116.85 3ics s TYR 532 Ca 0.00 0.95 -0.26 0.00 -1.01 0.00 0.00 57.07 56.75 3ics s TYR 532 Cb 0.00 -2.27 -0.00 0.00 -0.11 0.00 0.00 41.96 39.58 3ics s TYR 532 CO 0.00 0.55 0.91 0.21 -1.11 0.00 0.00 175.55 176.11 3ics s LYS 533 N -1.56 4.26 -0.02 -0.62 2.20 -1.26 -4.83 119.74 117.90 3ics s LYS 533 Ca 0.30 1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 56.96 3ics s LYS 533 Cb -0.16 -3.61 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 3ics s LYS 533 CO 0.17 -0.48 0.16 0.54 -0.36 0.00 0.00 175.35 175.38 3ics s VAL 534 N 2.68 0.05 0.03 4.02 0.11 -1.26 -2.01 120.40 124.01 3ics s VAL 534 Ca 0.40 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 3ics s VAL 534 Cb -0.16 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3ics s VAL 534 CO 0.09 -0.24 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.00 3ics s LYS 535 N -0.84 0.58 -0.07 1.54 1.02 -0.43 -4.46 119.74 117.06 3ics s LYS 535 Ca -0.09 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.25 3ics s LYS 535 Cb -0.05 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.76 3ics s LYS 535 CO 0.01 0.10 0.14 1.21 -0.92 0.00 0.00 175.35 175.90 3ics s ASN 536 N -1.08 6.26 -0.45 2.83 2.47 -0.53 -0.66 114.94 123.79 3ics s ASN 536 Ca -0.04 0.39 -0.26 0.00 0.42 0.00 0.00 52.86 53.37 3ics s ASN 536 Cb -0.07 -1.98 0.03 0.00 -1.45 0.00 0.00 41.25 37.77 3ics s ASN 536 CO 0.00 0.35 0.93 -0.69 -3.72 0.00 0.00 177.10 173.98 3ics s VAL 537 N -1.13 4.48 0.10 -5.21 1.01 0.92 -1.40 120.40 119.18 3ics s VAL 537 Ca 0.19 0.83 -0.31 0.00 0.00 0.00 0.00 61.98 62.69 3ics s VAL 537 Cb -0.12 -4.42 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 3ics s VAL 537 CO 0.09 -0.80 1.64 -0.62 0.00 0.00 0.00 175.10 175.42 3ics s ASP 538 N 2.21 6.58 0.00 3.32 2.15 -0.69 -1.64 116.67 128.61 3ics s ASP 538 Ca 0.38 2.55 0.00 0.00 0.43 0.00 0.00 52.55 55.90 3ics s ASP 538 Cb -0.10 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 3ics s ASP 538 CO 0.25 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 3ics n GLY 539 N 3.94 1.97 7.00 2.66 0.00 -1.25 -4.45 105.19 115.06 3ics n GLY 539 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.82 0.25 -0.02 0.00 -0.65 -2.59 105.19 101.00 3ics n GLY 540 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 0.67 -0.28 1.61 3.57 -0.13 -2.50 116.94 119.88 3ics h PHE 541 Ca 0.00 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.43 3ics h PHE 541 Cb 0.00 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 3ics h PHE 541 CO 0.00 0.76 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.50 3ics h LYS 542 N 0.54 -0.06 0.56 1.11 1.63 -0.93 0.22 116.57 119.64 3ics h LYS 542 Ca 0.09 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 3ics h LYS 542 Cb 0.63 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.28 3ics h LYS 542 CO 0.04 -0.04 -0.27 1.25 -3.45 0.00 0.00 179.45 176.99 3ics h LEU 543 N -0.06 -0.63 -0.66 5.20 5.85 -1.44 -2.88 115.31 120.68 3ics h LEU 543 Ca 0.15 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.99 3ics h LEU 543 Cb 0.28 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.36 3ics h LEU 543 CO -0.33 -0.39 -0.11 0.22 -0.34 0.00 0.00 178.44 177.49 3ics h TYR 544 N -0.84 -0.25 0.00 1.25 3.20 -1.07 -1.89 116.97 117.37 3ics h TYR 544 Ca -0.08 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3ics h TYR 544 Cb 0.61 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3ics h TYR 544 CO -0.02 -0.26 -0.19 0.78 -1.64 0.00 0.00 178.16 176.83 3ics h GLY 545 N 0.03 0.00 0.81 1.82 0.00 -0.58 0.11 103.07 105.26 3ics h GLY 545 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.52 3ics h GLY 545 CO -0.65 0.00 -0.53 -0.84 0.00 0.00 0.00 176.54 174.52 3ics h THR 546 N 0.00 1.40 0.00 4.70 2.02 -1.13 -3.11 112.91 116.80 3ics h THR 546 Ca -0.00 -1.93 -0.26 0.00 0.77 0.00 0.00 66.41 64.98 3ics h THR 546 Cb 0.66 2.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.43 3ics h THR 546 CO 0.02 0.57 -1.47 1.62 0.37 0.00 0.00 175.52 176.63 3ics h VAL 547 N -0.02 1.13 -2.19 3.16 3.04 -1.27 -3.39 116.25 116.72 3ics h VAL 547 Ca -0.05 -2.93 -0.55 0.00 -1.01 0.00 0.00 66.70 62.15 3ics h VAL 547 Cb 1.21 2.56 -0.41 0.00 -2.01 0.00 0.00 31.29 32.63 3ics h VAL 547 CO 0.11 0.64 -0.83 0.18 -1.01 0.00 0.00 177.57 176.66 3ics n LEU 548 N -3.14 3.20 0.23 3.16 4.77 0.37 -4.92 117.00 120.66 3ics n LEU 548 Ca -0.11 -5.44 0.07 0.00 -0.03 0.00 0.00 56.01 50.49 3ics n LEU 548 Cb 1.01 -0.12 0.55 0.00 -2.33 0.00 0.00 43.42 42.53 3ics n LEU 548 CO 0.46 2.32 0.93 1.55 -1.33 0.00 0.00 177.39 181.32 3ics h PRO 549 N 3.03 0.00 0.00 3.23 0.13 -1.73 -1.75 132.00 134.91 3ics h PRO 549 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ics h PRO 549 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ics h PRO 549 CO 0.71 0.16 0.00 1.05 -0.23 0.00 0.00 178.00 179.69 3ics h GLU 550 N 0.00 0.00 -0.02 0.86 9.09 -1.91 -2.89 114.58 119.71 3ics h GLU 550 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ics h GLU 550 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3ics h GLU 550 CO 0.02 0.00 -0.20 0.54 0.05 0.00 0.00 179.01 179.42 3ics n ARG 551 N -2.45 1.50 -2.11 1.06 1.74 -0.66 -4.96 116.66 110.78 3ics n ARG 551 Ca 0.02 -1.10 -0.41 0.00 -0.77 0.00 0.00 57.85 55.59 3ics n ARG 551 Cb 0.28 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 3ics n ARG 551 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ics s ILE 552 N -2.26 2.93 -0.14 0.55 1.01 -1.09 -4.49 121.20 117.70 3ics s ILE 552 Ca 0.27 0.77 -0.05 0.00 0.00 0.00 0.00 60.65 61.64 3ics s ILE 552 Cb 0.19 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3ics s ILE 552 CO 0.44 0.12 0.03 -0.69 0.00 0.00 0.00 174.94 174.84 3ics s VAL 553 N 0.06 4.56 -1.72 2.92 1.01 -1.26 -5.02 120.40 120.95 3ics s VAL 553 Ca 0.58 -0.13 0.14 0.00 0.00 0.00 0.00 61.98 62.57 3ics s VAL 553 Cb -0.39 -2.99 0.11 0.00 0.00 0.00 0.00 36.38 33.11 3ics s VAL 553 CO 0.41 0.54 0.94 -1.22 0.00 0.00 0.00 175.10 175.76