#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ics s VAL 11 N 0.00 5.02 0.20 5.09 0.11 -1.26 -5.05 120.40 124.51 1ics s VAL 11 Ca 0.00 0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.80 1ics s VAL 11 Cb 0.00 -3.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.01 1ics s VAL 11 CO 0.00 -0.34 1.51 -1.81 -3.33 0.00 0.00 175.10 171.13 1ics s ASP 12 N -3.20 6.61 0.66 3.54 1.01 -1.26 -4.97 116.67 119.06 1ics s ASP 12 Ca 0.44 2.64 -0.17 0.00 0.71 0.00 0.00 52.55 56.17 1ics s ASP 12 Cb -0.11 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 1ics s ASP 12 CO 0.30 -0.77 1.19 0.29 0.21 0.00 0.00 175.17 176.39 1ics n LYS 13 N 3.21 0.93 -4.21 8.23 5.02 -1.26 -5.03 118.16 125.05 1ics n LYS 13 Ca 0.11 0.37 -0.17 0.00 -2.02 0.00 0.00 58.31 56.60 1ics n LYS 13 Cb 0.39 -2.42 -0.11 0.00 -0.02 0.00 0.00 35.03 32.87 1ics n LYS 13 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ics s ILE 14 N -1.51 1.20 0.30 -0.18 -4.36 -1.26 -5.04 121.20 110.34 1ics s ILE 14 Ca 0.80 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 59.59 1ics s ILE 14 Cb -0.38 -1.41 0.29 0.00 1.25 0.00 0.00 42.46 42.21 1ics s ILE 14 CO 0.43 -0.42 1.82 -0.65 0.24 0.00 0.00 174.94 176.36 1ics h PRO 15 N 3.65 0.87 -0.29 0.37 0.11 -1.96 -1.66 132.00 133.10 1ics h PRO 15 Ca -0.39 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.75 1ics h PRO 15 Cb 1.19 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1ics h PRO 15 CO 0.49 0.58 0.27 -0.07 -0.21 0.00 0.00 178.00 179.07 1ics h LEU 16 N 0.90 0.00 -2.34 2.35 3.38 -1.90 -1.19 115.31 116.51 1ics h LEU 16 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1ics h LEU 16 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ics h LEU 16 CO -0.29 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.47 1ics n MET 17 N -3.95 2.59 -2.85 1.13 2.81 -0.63 -0.59 117.12 115.64 1ics n MET 17 Ca 0.04 -2.25 -0.40 0.00 -1.81 0.00 0.00 57.70 53.28 1ics n MET 17 Cb 0.42 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.34 1ics n MET 17 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1ics s SER 18 N -0.97 7.46 0.65 7.83 0.01 -0.45 -4.54 113.70 123.70 1ics s SER 18 Ca 0.42 1.74 -0.18 0.00 1.31 0.00 0.00 55.95 59.24 1ics s SER 18 Cb 0.23 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 1ics s SER 18 CO 0.27 0.09 1.19 -2.65 0.41 0.00 0.00 173.24 172.55 1ics n PRO 19 N 2.07 0.97 -3.74 12.44 -0.02 -1.22 -3.52 135.00 141.98 1ics n PRO 19 Ca -0.02 0.39 -0.12 0.00 -2.02 0.00 0.00 63.50 61.72 1ics n PRO 19 Cb 0.49 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 1ics n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ics s LYS 21 N 1.03 4.28 -0.35 0.00 -0.14 -1.26 -0.06 119.74 123.24 1ics s LYS 21 Ca -0.07 0.66 -0.00 0.00 -1.36 0.00 0.00 55.97 55.20 1ics s LYS 21 Cb -0.08 -3.53 0.12 0.00 -1.68 0.00 0.00 37.83 32.65 1ics s LYS 21 CO -0.07 -0.12 0.16 1.41 -0.76 0.00 0.00 175.35 175.97 1ics s MET 22 N 1.50 0.78 7.88 1.68 1.75 0.05 -4.97 119.30 127.98 1ics s MET 22 Ca 0.31 -1.31 0.00 0.00 -1.25 0.00 0.00 55.69 53.43 1ics s MET 22 Cb -0.16 -1.86 0.00 0.00 2.84 0.00 0.00 34.83 35.65 1ics s MET 22 CO 0.12 -1.08 0.00 0.41 -0.65 0.00 0.00 175.02 173.82 1ics n GLY 23 N 4.39 3.15 0.51 2.11 0.00 -1.26 -1.35 105.19 112.73 1ics n GLY 23 Ca 0.03 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1ics n GLY 23 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ics n LYS 24 N 12.99 1.64 -3.98 1.61 2.85 -1.26 -4.92 118.16 127.09 1ics n LYS 24 Ca 0.00 -1.02 -0.30 0.00 -1.05 0.00 0.00 58.31 55.94 1ics n LYS 24 Cb 0.00 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 32.85 1ics n LYS 24 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1ics s PHE 25 N -2.06 3.38 -0.54 5.58 0.40 -0.46 -5.07 117.98 119.21 1ics s PHE 25 Ca 0.35 0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.81 1ics s PHE 25 Cb 0.21 -1.68 0.14 0.00 0.51 0.00 0.00 43.02 42.20 1ics s PHE 25 CO 0.35 0.55 0.34 -1.21 0.70 0.00 0.00 175.22 175.96 1ics s GLU 26 N -2.64 2.32 0.41 0.44 0.41 -1.26 -0.77 118.70 117.60 1ics s GLU 26 Ca 0.33 -2.29 -0.23 0.00 -0.41 0.00 0.00 54.97 52.37 1ics s GLU 26 Cb -0.12 -3.65 -0.10 0.00 -1.78 0.00 0.00 34.13 28.48 1ics s GLU 26 CO 0.26 -1.13 0.99 -0.51 -0.49 0.00 0.00 175.26 174.37 1ics s LEU 27 N 0.34 4.07 0.00 1.80 1.43 0.92 -4.80 118.68 122.45 1ics s LEU 27 Ca 0.14 1.84 0.24 0.00 -1.03 0.00 0.00 54.13 55.32 1ics s LEU 27 Cb -0.21 -4.34 0.26 0.00 0.03 0.00 0.00 46.19 41.93 1ics s LEU 27 CO -0.04 -0.39 1.24 0.00 0.23 0.00 0.00 176.35 177.40 1ics s HIS 29 N -3.01 0.13 -0.35 0.00 0.00 -1.24 -3.45 115.29 107.37 1ics s HIS 29 Ca 0.10 -0.73 0.10 0.00 -3.00 0.00 0.00 55.06 51.53 1ics s HIS 29 Cb 0.17 0.80 0.25 0.00 -4.00 0.00 0.00 32.58 29.81 1ics s HIS 29 CO 0.76 -1.36 1.19 0.54 -1.00 0.00 0.00 174.74 174.87 1ics n ARG 30 N -0.61 2.64 -2.96 -0.38 1.74 0.25 -4.61 116.66 112.72 1ics n ARG 30 Ca -0.06 -2.14 -0.43 0.00 -0.77 0.00 0.00 57.85 54.45 1ics n ARG 30 Cb 0.60 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 1ics n ARG 30 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ics s VAL 31 N -1.71 4.65 -0.05 1.55 1.01 -1.23 -1.90 120.40 122.72 1ics s VAL 31 Ca 0.22 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 1ics s VAL 31 Cb 0.16 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ics s VAL 31 CO 0.07 -0.69 0.07 -0.69 0.00 0.00 0.00 175.10 173.86 1ics s VAL 32 N 3.29 4.73 -0.35 2.92 1.01 0.52 -4.39 120.40 128.14 1ics s VAL 32 Ca 0.30 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 1ics s VAL 32 Cb -0.12 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1ics s VAL 32 CO 0.22 0.48 0.88 -0.22 0.00 0.00 0.00 175.10 176.46 1ics s LEU 33 N -1.34 4.04 0.71 3.92 2.96 -0.95 -0.05 118.68 127.98 1ics s LEU 33 Ca 0.18 0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 54.58 1ics s LEU 33 Cb -0.12 -3.20 0.02 0.00 0.50 0.00 0.00 46.19 43.40 1ics s LEU 33 CO 0.08 -0.77 1.09 0.00 -1.32 0.00 0.00 176.35 175.43 1ics s ALA 34 N 3.28 2.42 0.21 5.97 0.00 -0.04 -2.26 121.76 131.33 1ics s ALA 34 Ca 0.36 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1ics s ALA 34 Cb -0.13 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1ics s ALA 34 CO 0.16 -1.45 1.41 -2.14 0.00 0.00 0.00 175.76 173.74 1ics s PRO 35 N -4.58 4.30 -0.26 0.00 0.02 -1.24 -4.73 135.00 128.50 1ics s PRO 35 Ca 0.63 2.21 -0.04 0.00 0.02 0.00 0.00 61.00 63.82 1ics s PRO 35 Cb -0.18 -3.16 0.09 0.00 0.02 0.00 0.00 34.50 31.27 1ics s PRO 35 CO 0.49 -0.40 0.11 -0.51 -0.33 0.00 0.00 177.00 176.36 1ics s LEU 36 N 0.10 0.84 0.10 -5.54 1.43 -1.26 -4.85 118.68 109.49 1ics s LEU 36 Ca 0.61 -1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 52.21 1ics s LEU 36 Cb -0.40 -0.44 -0.09 0.00 0.03 0.00 0.00 46.19 45.29 1ics s LEU 36 CO 0.38 -0.41 1.71 -0.89 0.23 0.00 0.00 176.35 177.38 1ics s THR 37 N 2.01 2.81 0.00 5.49 2.01 -1.26 -4.46 115.64 122.24 1ics s THR 37 Ca 0.07 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1ics s THR 37 Cb -0.16 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1ics s THR 37 CO -0.28 0.00 0.08 0.54 -0.69 0.00 0.00 174.62 174.28 1ics n ARG 38 N 5.52 5.11 -3.88 4.92 5.12 -1.26 -4.83 116.66 127.34 1ics n ARG 38 Ca 0.16 -0.08 -0.29 0.00 -1.93 0.00 0.00 57.85 55.71 1ics n ARG 38 Cb 0.39 -0.55 0.03 0.00 -1.16 0.00 0.00 32.46 31.18 1ics n ARG 38 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ics n GLN 39 N -0.75 -5.66 -0.43 5.56 6.02 -1.26 -4.38 117.38 116.48 1ics n GLN 39 Ca 0.00 0.61 0.06 0.00 -0.01 0.00 0.00 57.00 57.66 1ics n GLN 39 Cb 0.00 -5.50 0.19 0.00 1.02 0.00 0.00 30.24 25.95 1ics n GLN 39 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ics n ARG 40 N -4.69 1.67 -3.16 -1.09 1.74 -1.06 -4.55 116.66 105.52 1ics n ARG 40 Ca 0.02 -2.98 -0.38 0.00 -0.77 0.00 0.00 57.85 53.74 1ics n ARG 40 Cb 0.54 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 1ics n ARG 40 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ics n SER 41 N -1.17 5.55 -4.59 0.55 7.64 0.10 -4.67 113.62 117.04 1ics n SER 41 Ca 0.21 -3.40 -0.57 0.00 1.01 0.00 0.00 58.87 56.12 1ics n SER 41 Cb 0.75 -1.09 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 1ics n SER 41 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ics n TYR 42 N 1.27 1.31 -1.32 1.43 0.53 -1.25 -0.17 117.16 118.95 1ics n TYR 42 Ca 0.27 0.81 -0.11 0.00 -1.02 0.00 0.00 57.90 57.85 1ics n TYR 42 Cb 0.36 -2.26 -0.05 0.00 -1.03 0.00 0.00 39.34 36.36 1ics n TYR 42 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ics n GLY 43 N 2.52 1.22 2.30 2.72 0.00 -1.26 -2.56 105.19 110.12 1ics n GLY 43 Ca 0.21 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1ics n GLY 43 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ics n TYR 44 N -2.60 -0.71 -5.04 1.61 4.01 0.76 -5.00 117.16 110.19 1ics n TYR 44 Ca -0.11 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.34 1ics n TYR 44 Cb 0.40 -3.18 -0.16 0.00 -0.31 0.00 0.00 39.34 36.09 1ics n TYR 44 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ics s ILE 45 N -2.76 1.75 0.43 -0.72 1.01 -1.06 -2.32 121.20 117.52 1ics s ILE 45 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 1ics s ILE 45 Cb 0.00 -1.50 -0.10 0.00 0.01 0.00 0.00 42.46 40.87 1ics s ILE 45 CO 0.00 0.49 1.18 -2.65 0.00 0.00 0.00 174.94 173.96 1ics n PRO 46 N 3.23 1.68 -4.37 2.79 -0.02 -1.26 -3.97 135.00 133.10 1ics n PRO 46 Ca -0.19 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 1ics n PRO 46 Cb 0.52 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 1ics n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ics s GLN 47 N -2.19 2.04 0.28 -0.52 -1.52 -1.26 -4.85 119.66 111.64 1ics s GLN 47 Ca 0.63 -1.55 0.02 0.00 -1.95 0.00 0.00 55.36 52.51 1ics s GLN 47 Cb -0.52 -2.00 0.63 0.00 -0.22 0.00 0.00 33.01 30.90 1ics s GLN 47 CO 0.57 0.35 1.77 -1.35 -0.25 0.00 0.00 175.29 176.39 1ics h PRO 48 N 2.09 0.70 0.00 2.91 0.11 -1.94 -1.20 132.00 134.67 1ics h PRO 48 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1ics h PRO 48 Cb 1.25 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ics h PRO 48 CO 0.60 0.46 -0.03 1.12 -0.21 0.00 0.00 178.00 179.94 1ics h HIS 49 N 0.72 0.00 0.00 0.65 2.07 -1.95 0.11 115.15 116.75 1ics h HIS 49 Ca 0.52 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.03 1ics h HIS 49 Cb 0.76 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.74 1ics h HIS 49 CO -0.05 0.03 -0.05 0.00 -3.07 0.00 0.00 177.93 174.79 1ics h ALA 50 N 1.97 1.02 -0.47 6.11 0.00 -1.57 -2.12 119.26 124.20 1ics h ALA 50 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ics h ALA 50 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ics h ALA 50 CO 0.00 0.07 0.12 0.82 0.00 0.00 0.00 179.25 180.26 1ics h ILE 51 N 0.00 1.23 -0.24 0.00 2.04 -1.06 -2.14 117.51 117.35 1ics h ILE 51 Ca -0.00 -0.81 -0.19 0.00 1.00 0.00 0.00 64.86 64.86 1ics h ILE 51 Cb 0.54 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1ics h ILE 51 CO 0.01 0.29 -0.59 0.25 0.00 0.00 0.00 178.15 178.11 1ics h LEU 52 N 0.63 0.94 0.16 1.44 5.85 -1.56 -2.12 115.31 120.65 1ics h LEU 52 Ca 0.15 -0.56 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1ics h LEU 52 Cb 0.31 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1ics h LEU 52 CO 0.00 1.33 -0.24 -0.74 -0.34 0.00 0.00 178.44 178.45 1ics h HIS 53 N 0.59 -0.64 -0.00 1.25 2.76 -1.23 0.23 115.15 118.10 1ics h HIS 53 Ca -0.01 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.05 1ics h HIS 53 Cb 1.20 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 30.41 1ics h HIS 53 CO 0.08 -0.35 -0.61 1.88 -1.30 0.00 0.00 177.93 177.64 1ics h TYR 54 N -0.47 0.01 -0.51 5.26 0.05 -1.49 -3.04 116.97 116.78 1ics h TYR 54 Ca 0.02 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 1ics h TYR 54 Cb 0.47 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 1ics h TYR 54 CO -0.20 0.61 -0.02 1.03 -1.05 0.00 0.00 178.16 178.53 1ics h SER 55 N 0.00 0.90 0.14 3.88 0.87 -0.99 -2.28 113.55 116.08 1ics h SER 55 Ca -0.01 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1ics h SER 55 Cb 1.07 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1ics h SER 55 CO 0.08 1.00 -0.07 1.56 -0.53 0.00 0.00 176.83 178.87 1ics h GLN 56 N 0.78 0.00 -0.45 2.24 4.20 -0.43 -2.56 115.11 118.89 1ics h GLN 56 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ics h GLN 56 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ics h GLN 56 CO 0.03 0.07 0.00 0.54 -0.67 0.00 0.00 178.83 178.80 1ics n ARG 57 N -3.98 2.50 -3.05 1.46 1.74 -1.05 -4.37 116.66 109.90 1ics n ARG 57 Ca -0.03 -2.31 -0.38 0.00 -0.77 0.00 0.00 57.85 54.36 1ics n ARG 57 Cb 0.16 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 1ics n ARG 57 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ics s SER 58 N -1.31 7.24 0.10 0.55 0.01 -0.88 -4.98 113.70 114.43 1ics s SER 58 Ca 0.39 1.53 0.02 0.00 1.31 0.00 0.00 55.95 59.20 1ics s SER 58 Cb 0.22 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1ics s SER 58 CO 0.30 0.15 -0.07 0.42 0.41 0.00 0.00 173.24 174.45 1ics s THR 59 N -1.28 0.72 -0.29 1.44 -4.23 -1.26 -4.96 115.64 105.78 1ics s THR 59 Ca 0.38 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.71 1ics s THR 59 Cb -0.20 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 1ics s THR 59 CO 0.24 -0.83 1.79 0.21 -0.54 0.00 0.00 174.62 175.49 1ics s ASN 60 N -2.96 5.98 0.00 3.99 2.47 -0.98 -2.14 114.94 121.29 1ics s ASN 60 Ca 0.11 1.44 0.00 0.00 0.42 0.00 0.00 52.86 54.83 1ics s ASN 60 Cb 0.04 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1ics s ASN 60 CO -0.04 -1.62 0.00 0.61 -3.72 0.00 0.00 177.10 172.33 1ics n GLY 61 N 5.28 0.52 3.84 1.21 0.00 0.80 -4.41 105.19 112.43 1ics n GLY 61 Ca 0.22 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1ics n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ics s GLY 62 N -2.29 2.48 -0.04 -0.02 0.00 -0.91 0.07 107.32 106.61 1ics s GLY 62 Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 44.72 44.32 1ics s GLY 62 CO 0.00 0.14 0.69 -2.27 0.00 0.00 0.00 173.10 171.66 1ics s LEU 63 N -1.58 4.36 -0.12 0.66 2.96 -1.26 -1.86 118.68 121.84 1ics s LEU 63 Ca 0.32 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1ics s LEU 63 Cb -0.16 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.48 1ics s LEU 63 CO 0.17 -0.05 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.26 1ics s LEU 64 N 0.47 1.60 -0.24 -0.68 1.02 0.10 -2.23 118.68 118.71 1ics s LEU 64 Ca 0.36 -0.41 -0.05 0.00 0.02 0.00 0.00 54.13 54.05 1ics s LEU 64 Cb -0.18 -1.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.97 1ics s LEU 64 CO 0.19 -0.03 0.02 -0.63 0.02 0.00 0.00 176.35 175.91 1ics s ILE 65 N 1.25 3.76 0.92 -0.59 1.01 -0.96 -0.41 121.20 126.19 1ics s ILE 65 Ca -0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1ics s ILE 65 Cb -0.14 -2.78 0.15 0.00 0.01 0.00 0.00 42.46 39.70 1ics s ILE 65 CO -0.05 0.32 1.09 -0.83 0.00 0.00 0.00 174.94 175.47 1ics s GLY 66 N 1.52 1.62 0.73 6.18 0.00 0.15 -3.66 107.32 113.86 1ics s GLY 66 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 1ics s GLY 66 CO -0.00 0.49 1.23 -1.83 0.00 0.00 0.00 173.10 172.99 1ics s GLU 67 N -4.86 2.10 0.04 2.90 -1.05 -1.26 -3.93 118.70 112.63 1ics s GLU 67 Ca 0.64 1.86 -0.37 0.00 -0.15 0.00 0.00 54.97 56.95 1ics s GLU 67 Cb -0.19 -1.82 -0.17 0.00 -0.44 0.00 0.00 34.13 31.51 1ics s GLU 67 CO 0.58 -1.89 1.36 0.00 0.95 0.00 0.00 175.26 176.26 1ics n ALA 68 N -2.65 -1.10 -3.86 -0.84 0.00 -1.26 -4.28 120.51 106.51 1ics n ALA 68 Ca 0.14 0.51 -0.33 0.00 0.00 0.00 0.00 53.44 53.77 1ics n ALA 68 Cb 0.50 -2.07 -0.16 0.00 0.00 0.00 0.00 19.45 17.72 1ics n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ics s THR 69 N 0.76 2.05 0.24 0.00 2.01 0.11 -4.48 115.64 116.33 1ics s THR 69 Ca 0.86 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1ics s THR 69 Cb -0.99 -1.83 -0.10 0.00 0.01 0.00 0.00 72.50 69.59 1ics s THR 69 CO 0.50 0.54 1.51 -0.69 -0.69 0.00 0.00 174.62 175.79 1ics s VAL 70 N 1.02 2.49 -0.91 3.82 1.01 0.10 0.19 120.40 128.12 1ics s VAL 70 Ca -0.02 0.39 0.25 0.00 0.00 0.00 0.00 61.98 62.61 1ics s VAL 70 Cb -0.14 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1ics s VAL 70 CO -0.07 0.06 1.46 2.30 0.00 0.00 0.00 175.10 178.85 1ics n ILE 71 N 2.64 0.09 -3.79 2.22 -5.35 -0.23 -1.42 119.36 113.52 1ics n ILE 71 Ca 0.09 -0.07 -0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1ics n ILE 71 Cb 0.39 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1ics n ILE 71 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ics s SER 72 N -3.32 -0.05 0.23 7.28 1.04 -1.26 -4.56 113.70 113.06 1ics s SER 72 Ca 0.10 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 1ics s SER 72 Cb 0.17 0.31 0.24 0.00 0.10 0.00 0.00 66.02 66.84 1ics s SER 72 CO 0.68 -0.59 1.90 -0.33 0.98 0.00 0.00 173.24 175.88 1ics h GLU 73 N 2.00 1.13 0.00 4.02 5.08 -1.98 -1.56 114.58 123.27 1ics h GLU 73 Ca -0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1ics h GLU 73 Cb 1.21 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ics h GLU 73 CO 0.30 0.75 0.00 0.25 -1.00 0.00 0.00 179.01 179.31 1ics n THR 74 N -4.49 0.90 0.26 1.13 -2.24 -1.26 -3.12 114.28 105.46 1ics n THR 74 Ca 0.11 0.23 0.06 0.00 -2.27 0.00 0.00 64.05 62.17 1ics n THR 74 Cb 0.05 -0.99 0.22 0.00 -2.10 0.00 0.00 70.33 67.51 1ics n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ics n GLY 75 N -0.07 1.68 3.74 3.38 0.00 -0.59 -4.67 105.19 108.66 1ics n GLY 75 Ca 0.04 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1ics n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ics s ILE 76 N -1.70 5.32 0.00 -0.61 1.01 -1.18 -3.03 121.20 121.00 1ics s ILE 76 Ca 0.31 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1ics s ILE 76 Cb 0.20 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1ics s ILE 76 CO 0.15 0.42 0.42 0.61 0.00 0.00 0.00 174.94 176.55 1ics n GLY 77 N 3.24 -2.39 3.16 6.18 0.00 -1.26 -4.62 105.19 109.50 1ics n GLY 77 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1ics n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ics s TYR 78 N 0.00 0.06 0.38 1.61 2.02 -1.26 -4.79 117.35 115.37 1ics s TYR 78 Ca 0.00 -0.25 -0.24 0.00 -0.37 0.00 0.00 57.07 56.20 1ics s TYR 78 Cb 0.00 -0.04 -0.09 0.00 -0.40 0.00 0.00 41.96 41.42 1ics s TYR 78 CO 0.00 -0.39 1.01 0.15 -1.57 0.00 0.00 175.55 174.74 1ics s LYS 79 N -2.30 4.31 -1.67 -0.62 1.02 -1.26 -4.26 119.74 114.96 1ics s LYS 79 Ca -0.07 1.42 -0.16 0.00 0.02 0.00 0.00 55.97 57.17 1ics s LYS 79 Cb -0.02 -2.59 0.14 0.00 -0.52 0.00 0.00 37.83 34.83 1ics s LYS 79 CO -0.03 0.01 0.73 -0.25 -0.92 0.00 0.00 175.35 174.89 1ics n ASP 80 N 0.09 -2.87 -4.87 2.83 8.00 -1.26 -4.67 116.55 113.80 1ics n ASP 80 Ca 0.04 -1.02 -0.34 0.00 0.71 0.00 0.00 54.79 54.19 1ics n ASP 80 Cb 0.50 -2.76 -0.06 0.00 -0.02 0.00 0.00 41.12 38.79 1ics n ASP 80 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ics s VAL 81 N -3.39 5.24 0.30 2.53 -7.23 -1.25 0.01 120.40 116.61 1ics s VAL 81 Ca 0.64 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.33 1ics s VAL 81 Cb -0.35 -3.42 -0.10 0.00 0.56 0.00 0.00 36.38 33.07 1ics s VAL 81 CO 0.93 0.36 1.12 -2.16 -0.31 0.00 0.00 175.10 175.03 1ics s PRO 82 N -1.80 4.53 0.46 4.82 0.04 -1.26 -4.07 135.00 137.71 1ics s PRO 82 Ca 0.25 1.82 0.06 0.00 0.04 0.00 0.00 61.00 63.17 1ics s PRO 82 Cb -0.12 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1ics s PRO 82 CO 0.16 0.11 0.24 0.20 0.04 0.00 0.00 177.00 177.74 1ics s GLY 83 N -0.92 2.42 -0.31 0.56 0.00 -0.98 -0.73 107.32 107.37 1ics s GLY 83 Ca 0.47 -1.63 0.17 0.00 0.00 0.00 0.00 44.72 43.73 1ics s GLY 83 CO 0.41 -1.94 1.29 4.51 0.00 0.00 0.00 173.10 177.37 1ics n ILE 84 N -1.42 0.62 0.49 0.90 3.06 -0.50 -4.79 119.36 117.72 1ics n ILE 84 Ca -0.03 -2.04 0.05 0.00 -2.50 0.00 0.00 62.75 58.23 1ics n ILE 84 Cb 0.65 1.09 0.01 0.00 0.54 0.00 0.00 39.64 41.93 1ics n ILE 84 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 1ics n TRP 85 N -0.92 0.00 -4.34 9.51 2.14 -1.26 -4.78 117.44 117.79 1ics n TRP 85 Ca -0.04 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.30 1ics n TRP 85 Cb 0.84 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.26 1ics n TRP 85 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1ics s THR 86 N -1.37 2.99 0.28 -1.67 -4.23 -1.26 -5.02 115.64 105.37 1ics s THR 86 Ca 0.10 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1ics s THR 86 Cb 0.09 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1ics s THR 86 CO 0.25 -0.33 1.70 0.11 -0.54 0.00 0.00 174.62 175.81 1ics h LYS 87 N 1.94 0.34 -0.22 3.99 1.57 -1.99 -1.70 116.57 120.51 1ics h LYS 87 Ca -0.43 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.20 1ics h LYS 87 Cb 1.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1ics h LYS 87 CO 0.62 0.66 0.14 1.49 -0.57 0.00 0.00 179.45 181.79 1ics h GLU 88 N 0.29 0.27 -0.43 3.15 4.81 -1.99 0.18 114.58 120.87 1ics h GLU 88 Ca 0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1ics h GLU 88 Cb 0.78 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1ics h GLU 88 CO 0.06 0.18 0.22 1.96 -0.73 0.00 0.00 179.01 180.70 1ics h GLN 89 N 0.28 0.61 -0.85 1.92 4.20 -1.82 -1.10 115.11 118.35 1ics h GLN 89 Ca 0.08 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1ics h GLN 89 Cb -0.02 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 1ics h GLN 89 CO -0.03 0.51 0.54 0.28 -0.67 0.00 0.00 178.83 179.46 1ics h VAL 90 N 0.55 1.11 -0.05 -0.54 2.07 -0.90 -1.19 116.25 117.30 1ics h VAL 90 Ca 0.15 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1ics h VAL 90 Cb 0.09 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1ics h VAL 90 CO -0.02 0.19 -0.57 -0.33 0.02 0.00 0.00 177.57 176.86 1ics h GLU 91 N 1.03 0.16 0.00 1.57 4.39 -0.69 -2.91 114.58 118.13 1ics h GLU 91 Ca 0.35 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 1ics h GLU 91 Cb 0.06 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1ics h GLU 91 CO -0.13 0.69 -0.43 0.00 -1.16 0.00 0.00 179.01 177.97 1ics h ALA 92 N 1.29 1.09 0.01 3.43 0.00 -0.26 -3.22 119.26 121.60 1ics h ALA 92 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ics h ALA 92 Cb 1.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ics h ALA 92 CO 0.08 0.53 -0.00 -1.49 0.00 0.00 0.00 179.25 178.37 1ics h TRP 93 N 0.00 -0.01 -0.62 0.00 4.06 -1.07 -3.36 115.95 114.95 1ics h TRP 93 Ca -0.00 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.04 1ics h TRP 93 Cb 0.86 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.93 1ics h TRP 93 CO 0.00 0.50 -0.24 1.63 -3.56 0.00 0.00 178.44 176.76 1ics n LYS 94 N -4.85 -0.15 -0.07 0.49 5.02 -1.14 0.48 118.16 117.94 1ics n LYS 94 Ca -0.09 0.95 0.06 0.00 -2.02 0.00 0.00 58.31 57.21 1ics n LYS 94 Cb 0.26 -1.41 0.41 0.00 -0.02 0.00 0.00 35.03 34.28 1ics n LYS 94 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1ics h PRO 95 N 0.00 0.58 -0.02 1.97 0.11 -1.74 1.02 132.00 133.92 1ics h PRO 95 Ca 0.21 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1ics h PRO 95 Cb 0.37 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1ics h PRO 95 CO -0.61 0.38 -0.06 0.82 -0.21 0.00 0.00 178.00 178.32 1ics h ILE 96 N 0.60 1.46 -0.99 4.15 2.04 -0.16 -2.20 117.51 122.41 1ics h ILE 96 Ca 0.22 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.67 1ics h ILE 96 Cb 0.13 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 1ics h ILE 96 CO -0.06 0.39 0.64 0.58 0.00 0.00 0.00 178.15 179.70 1ics h VAL 97 N -0.49 1.17 -0.46 1.67 2.07 -0.35 -2.31 116.25 117.55 1ics h VAL 97 Ca -0.00 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1ics h VAL 97 Cb 0.66 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1ics h VAL 97 CO 0.01 0.23 0.02 0.44 0.02 0.00 0.00 177.57 178.29 1ics h ASP 98 N 1.24 0.71 -0.49 0.57 3.32 0.11 -1.78 116.42 120.12 1ics h ASP 98 Ca 0.39 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 1ics h ASP 98 Cb 0.00 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1ics h ASP 98 CO -0.13 0.77 -0.11 0.00 -1.72 0.00 0.00 179.24 178.05 1ics h ALA 99 N 1.31 0.83 -0.05 3.45 0.00 -0.85 0.06 119.26 124.01 1ics h ALA 99 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ics h ALA 99 Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ics h ALA 99 CO 0.01 0.66 0.00 0.28 0.00 0.00 0.00 179.25 180.20 1ics h VAL 100 N 0.86 1.24 -0.20 0.00 2.07 -1.29 -2.67 116.25 116.26 1ics h VAL 100 Ca 0.14 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1ics h VAL 100 Cb 0.66 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1ics h VAL 100 CO 0.05 0.20 0.14 0.45 0.02 0.00 0.00 177.57 178.42 1ics h HIS 101 N -0.20 0.09 0.00 1.57 -0.00 -1.20 -0.72 115.15 114.69 1ics h HIS 101 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1ics h HIS 101 Cb 0.31 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1ics h HIS 101 CO 0.03 0.05 -0.01 0.00 -0.00 0.00 0.00 177.93 177.99 1ics h ALA 102 N 1.90 1.09 -0.12 2.45 0.00 -0.61 -2.11 119.26 121.85 1ics h ALA 102 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ics h ALA 102 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ics h ALA 102 CO -0.01 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1ics n LYS 103 N -3.23 1.44 -0.11 0.00 5.02 -0.31 -4.97 118.16 116.01 1ics n LYS 103 Ca -0.02 -1.56 0.00 0.00 -2.02 0.00 0.00 58.31 54.70 1ics n LYS 103 Cb 0.14 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1ics n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ics n GLY 104 N 0.81 0.84 3.82 0.72 0.00 -0.79 -2.31 105.19 108.28 1ics n GLY 104 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1ics n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ics s GLY 105 N -1.75 2.12 -0.19 -0.02 0.00 -1.01 -0.14 107.32 106.33 1ics s GLY 105 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.94 1ics s GLY 105 CO 0.00 0.59 0.07 -0.42 0.00 0.00 0.00 173.10 173.35 1ics s ILE 106 N -2.51 4.87 -0.15 0.90 -1.09 -0.78 -4.34 121.20 118.10 1ics s ILE 106 Ca 0.61 -0.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.04 1ics s ILE 106 Cb -0.13 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.57 1ics s ILE 106 CO 0.33 0.45 -0.16 0.12 -1.23 0.00 0.00 174.94 174.45 1ics s PHE 107 N 0.41 2.36 0.01 3.97 5.99 -1.26 -0.72 117.98 128.74 1ics s PHE 107 Ca 0.04 -1.33 0.03 0.00 0.00 0.00 0.00 56.93 55.67 1ics s PHE 107 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 43.02 41.17 1ics s PHE 107 CO 0.00 -0.70 -0.07 -0.06 -0.00 0.00 0.00 175.22 174.40 1ics s PHE 108 N 1.37 2.89 -0.21 10.12 2.99 0.46 -0.65 117.98 134.93 1ics s PHE 108 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 56.93 56.85 1ics s PHE 108 Cb -0.13 -1.60 -0.04 0.00 0.00 0.00 0.00 43.02 41.26 1ics s PHE 108 CO -0.10 0.38 0.07 0.00 -0.00 0.00 0.00 175.22 175.56 1ics s GLN 110 N 0.91 4.00 -0.14 0.00 0.74 -1.25 -0.36 119.66 123.55 1ics s GLN 110 Ca 0.04 0.72 -0.16 0.00 0.05 0.00 0.00 55.36 56.01 1ics s GLN 110 Cb -0.14 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.20 1ics s GLN 110 CO 0.03 -0.72 0.37 0.96 -0.55 0.00 0.00 175.29 175.38 1ics s ILE 111 N 3.10 5.25 0.06 -2.34 -4.36 0.15 0.08 121.20 123.15 1ics s ILE 111 Ca 0.35 0.72 0.01 0.00 -0.26 0.00 0.00 60.65 61.48 1ics s ILE 111 Cb -0.14 -3.71 -0.03 0.00 1.25 0.00 0.00 42.46 39.83 1ics s ILE 111 CO 0.13 0.37 -0.06 0.86 0.24 0.00 0.00 174.94 176.47 1ics s TRP 112 N 0.50 0.71 -0.15 1.37 -0.00 0.13 -1.82 118.94 119.67 1ics s TRP 112 Ca 0.21 -0.74 -0.06 0.00 -0.00 0.00 0.00 56.10 55.50 1ics s TRP 112 Cb -0.14 -0.43 0.07 0.00 -0.00 0.00 0.00 33.47 32.97 1ics s TRP 112 CO 0.07 -0.16 0.32 -1.58 -0.00 0.00 0.00 176.95 175.60 1ics s HIS 113 N -2.63 -0.55 0.06 5.86 5.65 -1.26 -1.07 115.29 121.35 1ics s HIS 113 Ca 0.01 1.16 0.31 0.00 0.25 0.00 0.00 55.06 56.78 1ics s HIS 113 Cb -0.01 0.10 1.19 0.00 -1.18 0.00 0.00 32.58 32.68 1ics s HIS 113 CO -0.03 -0.38 1.92 -0.39 -0.65 0.00 0.00 174.74 175.21 1ics h VAL 114 N 6.16 0.12 0.00 0.89 -1.51 -1.84 -1.03 116.25 119.03 1ics h VAL 114 Ca -0.19 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1ics h VAL 114 Cb 1.12 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1ics h VAL 114 CO 0.16 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.16 1ics n GLY 115 N 0.15 2.73 0.03 5.19 0.00 -1.26 -2.38 105.19 109.63 1ics n GLY 115 Ca 0.01 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.69 1ics n GLY 115 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ics n ARG 116 N 13.68 0.03 -1.86 1.61 1.85 -0.99 -4.06 116.66 126.92 1ics n ARG 116 Ca 0.00 0.43 -0.42 0.00 -1.00 0.00 0.00 57.85 56.85 1ics n ARG 116 Cb 0.00 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 1ics n ARG 116 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1ics n VAL 117 N -1.63 3.61 -3.83 8.89 0.31 -1.00 -4.68 118.33 119.99 1ics n VAL 117 Ca 0.01 -3.27 -0.07 0.00 -0.01 0.00 0.00 64.34 61.01 1ics n VAL 117 Cb 0.08 -2.56 0.02 0.00 -0.91 0.00 0.00 33.84 30.46 1ics n VAL 117 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ics s SER 118 N 2.90 -0.01 0.02 4.52 0.15 -1.26 -4.37 113.70 115.65 1ics s SER 118 Ca 0.46 -0.96 0.04 0.00 0.70 0.00 0.00 55.95 56.19 1ics s SER 118 Cb 0.13 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 65.15 1ics s SER 118 CO -0.07 -1.43 -0.11 0.21 1.20 0.00 0.00 173.24 173.04 1ics s ASN 119 N -3.17 1.27 0.61 5.45 3.84 -1.26 -2.31 114.94 119.36 1ics s ASN 119 Ca 0.17 -0.34 0.27 0.00 0.21 0.00 0.00 52.86 53.17 1ics s ASN 119 Cb -0.04 -0.09 1.44 0.00 -0.55 0.00 0.00 41.25 42.01 1ics s ASN 119 CO 0.09 0.03 1.80 0.07 -2.79 0.00 0.00 177.10 176.30 1ics h LYS 120 N 5.31 0.00 0.00 0.43 2.10 -1.89 0.50 116.57 123.02 1ics h LYS 120 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1ics h LYS 120 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1ics h LYS 120 CO 0.46 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.66 1ics n ASP 121 N -2.74 0.39 -0.01 7.07 8.00 -1.26 -2.38 116.55 125.63 1ics n ASP 121 Ca -0.02 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.16 1ics n ASP 121 Cb 0.38 -0.67 -0.15 0.00 -0.02 0.00 0.00 41.12 40.66 1ics n ASP 121 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ics n PHE 122 N -1.91 0.00 -2.30 1.24 3.72 0.17 -4.98 117.46 113.40 1ics n PHE 122 Ca 0.04 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.14 1ics n PHE 122 Cb 0.26 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 1ics n PHE 122 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1ics s GLN 123 N -3.30 3.67 0.08 -1.08 -1.52 -1.00 -4.81 119.66 111.69 1ics s GLN 123 Ca -0.02 0.59 -0.31 0.00 -1.95 0.00 0.00 55.36 53.68 1ics s GLN 123 Cb 0.15 -2.21 -0.08 0.00 -0.22 0.00 0.00 33.01 30.64 1ics s GLN 123 CO 0.88 -0.35 1.53 -2.14 -0.25 0.00 0.00 175.29 174.97 1ics s PRO 124 N -4.69 4.24 -1.86 2.91 0.02 -1.26 -2.55 135.00 131.81 1ics s PRO 124 Ca 0.53 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1ics s PRO 124 Cb -0.11 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1ics s PRO 124 CO 0.45 -0.62 0.00 0.09 -0.33 0.00 0.00 177.00 176.59 1ics n ASN 125 N 4.91 -5.88 -2.09 2.53 3.02 -1.26 -2.06 115.26 114.43 1ics n ASN 125 Ca 0.14 0.06 -0.20 0.00 -0.03 0.00 0.00 54.58 54.55 1ics n ASN 125 Cb 0.41 -4.93 -0.03 0.00 -0.61 0.00 0.00 39.78 34.61 1ics n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ics n GLY 126 N -0.92 0.26 3.80 7.41 0.00 -1.06 -4.97 105.19 109.71 1ics n GLY 126 Ca -0.24 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1ics n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ics s GLU 127 N -4.62 2.78 0.36 1.61 2.02 -0.88 -4.85 118.70 115.12 1ics s GLU 127 Ca 0.00 1.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.83 1ics s GLU 127 Cb 0.00 -1.96 -0.09 0.00 0.10 0.00 0.00 34.13 32.18 1ics s GLU 127 CO 0.00 -1.23 1.17 -0.51 0.02 0.00 0.00 175.26 174.71 1ics s ASP 128 N -3.37 6.74 0.94 -0.19 1.01 -1.26 -4.34 116.67 116.20 1ics s ASP 128 Ca 0.61 2.37 -0.10 0.00 0.71 0.00 0.00 52.55 56.14 1ics s ASP 128 Cb -0.16 -2.62 0.16 0.00 1.01 0.00 0.00 42.92 41.31 1ics s ASP 128 CO 0.51 -0.53 1.13 -2.84 0.21 0.00 0.00 175.17 173.65 1ics s PRO 129 N -2.04 0.82 0.14 8.23 0.02 -1.26 -4.59 135.00 136.31 1ics s PRO 129 Ca 0.53 1.46 0.06 0.00 0.02 0.00 0.00 61.00 63.07 1ics s PRO 129 Cb -0.32 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1ics s PRO 129 CO 0.41 -2.74 0.03 0.96 -0.33 0.00 0.00 177.00 175.33 1ics s ILE 130 N -2.63 4.03 0.20 2.83 -4.36 -1.26 0.43 121.20 120.43 1ics s ILE 130 Ca 0.67 -1.15 -0.12 0.00 -0.26 0.00 0.00 60.65 59.78 1ics s ILE 130 Cb -0.23 -2.99 0.04 0.00 1.25 0.00 0.00 42.46 40.54 1ics s ILE 130 CO 0.59 -0.01 0.60 -0.24 0.24 0.00 0.00 174.94 176.12 1ics n SER 131 N 0.13 -1.36 0.18 4.36 2.88 -0.56 -2.35 113.62 116.90 1ics n SER 131 Ca -0.10 -1.86 0.11 0.00 -1.33 0.00 0.00 58.87 55.70 1ics n SER 131 Cb 0.54 2.25 0.12 0.00 -0.75 0.00 0.00 64.21 66.36 1ics n SER 131 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ics s THR 133 N -3.23 0.88 -0.25 0.00 -1.32 -1.26 -4.60 115.64 105.86 1ics s THR 133 Ca 0.05 -2.00 0.13 0.00 -1.21 0.00 0.00 61.69 58.65 1ics s THR 133 Cb 0.06 -2.51 0.57 0.00 -1.51 0.00 0.00 72.50 69.11 1ics s THR 133 CO 0.71 0.00 1.52 -0.90 -2.21 0.00 0.00 174.62 173.74 1ics n ASP 134 N -1.06 3.60 -4.53 8.08 5.68 -1.26 -3.60 116.55 123.46 1ics n ASP 134 Ca -0.06 -3.31 -0.35 0.00 -0.50 0.00 0.00 54.79 50.57 1ics n ASP 134 Cb 0.66 -0.62 -0.11 0.00 -1.14 0.00 0.00 41.12 39.91 1ics n ASP 134 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1ics s ARG 135 N -3.01 3.77 0.74 0.11 0.52 -1.26 -4.49 118.95 115.33 1ics s ARG 135 Ca 0.46 -0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 55.16 1ics s ARG 135 Cb 0.38 -3.14 0.09 0.00 0.52 0.00 0.00 34.95 32.81 1ics s ARG 135 CO 0.07 0.13 1.04 0.20 0.02 0.00 0.00 175.30 176.75 1ics s GLY 136 N 0.73 1.73 0.28 -3.53 0.00 -1.26 -4.56 107.32 100.71 1ics s GLY 136 Ca 0.02 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1ics s GLY 136 CO 0.02 -0.68 0.49 1.08 0.00 0.00 0.00 173.10 174.01 1ics s LEU 137 N -5.29 4.11 0.42 0.66 1.43 -1.26 -5.03 118.68 113.73 1ics s LEU 137 Ca 0.63 0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 54.12 1ics s LEU 137 Cb -0.08 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 1ics s LEU 137 CO 0.45 -0.18 0.74 0.42 0.23 0.00 0.00 176.35 178.01 1ics s THR 138 N -2.11 4.89 0.46 5.49 -4.23 -1.26 -4.53 115.64 114.35 1ics s THR 138 Ca 0.40 0.31 -0.23 0.00 -1.18 0.00 0.00 61.69 60.99 1ics s THR 138 Cb -0.10 -3.80 -0.09 0.00 1.34 0.00 0.00 72.50 69.85 1ics s THR 138 CO 0.32 -0.64 0.97 -2.65 -0.54 0.00 0.00 174.62 172.08 1ics n PRO 139 N -1.70 1.22 -4.23 3.99 -0.02 -1.26 -4.86 135.00 128.13 1ics n PRO 139 Ca 0.01 0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 61.73 1ics n PRO 139 Cb 0.55 -2.04 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 1ics n PRO 139 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ics s GLN 140 N -2.15 0.98 -0.18 -0.52 -0.21 -0.90 -4.98 119.66 111.70 1ics s GLN 140 Ca 0.66 -1.12 -0.23 0.00 0.02 0.00 0.00 55.36 54.69 1ics s GLN 140 Cb -0.52 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 1ics s GLN 140 CO 0.55 0.22 0.73 0.42 -2.12 0.00 0.00 175.29 175.09 1ics s ILE 141 N -1.54 4.95 0.93 1.08 1.01 -1.26 -0.28 121.20 126.09 1ics s ILE 141 Ca 0.04 1.41 -0.12 0.00 0.00 0.00 0.00 60.65 61.99 1ics s ILE 141 Cb -0.08 -4.04 0.15 0.00 0.01 0.00 0.00 42.46 38.49 1ics s ILE 141 CO 0.03 0.07 1.09 -0.04 0.00 0.00 0.00 174.94 176.10 1ics s MET 142 N 2.01 1.01 0.56 2.79 -1.94 -0.30 -4.83 119.30 118.59 1ics s MET 142 Ca 0.34 0.77 0.35 0.00 -1.71 0.00 0.00 55.69 55.43 1ics s MET 142 Cb -0.16 -1.78 1.49 0.00 2.01 0.00 0.00 34.83 36.38 1ics s MET 142 CO 0.11 -2.40 1.77 0.66 -0.01 0.00 0.00 175.02 175.15 1ics h SER 143 N -1.66 0.00 0.20 3.03 4.64 -1.96 0.37 113.55 118.16 1ics h SER 143 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ics h SER 143 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ics h SER 143 CO 0.55 0.00 -0.01 -0.46 -0.87 0.00 0.00 176.83 176.04 1ics n ASN 144 N -4.00 0.08 -0.42 4.97 0.23 -1.26 -4.88 115.26 109.98 1ics n ASN 144 Ca 0.23 -0.73 -0.06 0.00 -0.53 0.00 0.00 54.58 53.50 1ics n ASN 144 Cb 1.20 -0.09 -0.02 0.00 -2.08 0.00 0.00 39.78 38.78 1ics n ASN 144 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ics n GLY 145 N 1.11 0.54 0.85 4.83 0.00 0.13 -4.73 105.19 107.92 1ics n GLY 145 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1ics n GLY 145 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ics n ILE 146 N -2.14 0.16 -3.36 -0.61 5.41 -1.26 -4.98 119.36 112.58 1ics n ILE 146 Ca -0.06 -0.04 -0.31 0.00 1.00 0.00 0.00 62.75 63.34 1ics n ILE 146 Cb 0.53 -1.48 -0.05 0.00 -0.71 0.00 0.00 39.64 37.93 1ics n ILE 146 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1ics s ASP 147 N -5.21 6.60 -0.14 4.38 1.01 -1.26 -4.97 116.67 117.08 1ics s ASP 147 Ca -0.04 0.92 -0.01 0.00 0.71 0.00 0.00 52.55 54.12 1ics s ASP 147 Cb 0.02 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1ics s ASP 147 CO 0.05 -0.12 -0.10 -0.63 0.21 0.00 0.00 175.17 174.59 1ics s ILE 148 N -1.90 3.34 -0.17 0.77 1.01 -1.26 -1.15 121.20 121.84 1ics s ILE 148 Ca 0.47 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 1ics s ILE 148 Cb -0.11 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1ics s ILE 148 CO 0.23 0.51 0.57 0.00 0.00 0.00 0.00 174.94 176.25 1ics s ALA 149 N 0.38 3.51 0.12 9.38 0.00 0.62 -4.93 121.76 130.85 1ics s ALA 149 Ca -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1ics s ALA 149 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1ics s ALA 149 CO 0.05 -0.37 0.20 -1.01 0.00 0.00 0.00 175.76 174.63 1ics s HIS 150 N 1.48 3.37 0.10 0.00 3.76 -1.26 -2.13 115.29 120.60 1ics s HIS 150 Ca 0.27 0.11 0.08 0.00 -0.15 0.00 0.00 55.06 55.37 1ics s HIS 150 Cb -0.16 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1ics s HIS 150 CO 0.11 0.53 -0.21 -0.06 -0.85 0.00 0.00 174.74 174.26 1ics s PHE 151 N -1.65 1.80 -0.09 1.40 0.40 -1.26 -4.64 117.98 113.94 1ics s PHE 151 Ca 0.33 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 56.15 1ics s PHE 151 Cb -0.11 -1.00 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 1ics s PHE 151 CO 0.26 0.20 0.22 0.99 0.70 0.00 0.00 175.22 177.60 1ics s THR 152 N -1.13 5.36 -0.07 0.64 2.01 -0.98 -4.77 115.64 116.70 1ics s THR 152 Ca 0.07 0.41 -0.36 0.00 0.31 0.00 0.00 61.69 62.12 1ics s THR 152 Cb -0.10 -3.51 -0.13 0.00 0.01 0.00 0.00 72.50 68.77 1ics s THR 152 CO 0.04 0.58 1.75 -1.14 -0.69 0.00 0.00 174.62 175.17 1ics n ARG 153 N 2.12 1.86 -1.69 4.92 3.00 -1.26 -4.74 116.66 120.87 1ics n ARG 153 Ca -0.18 0.68 -0.30 0.00 -0.00 0.00 0.00 57.85 58.05 1ics n ARG 153 Cb 0.54 -2.46 0.06 0.00 0.00 0.00 0.00 32.46 30.60 1ics n ARG 153 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1ics s PRO 154 N 3.10 2.56 -0.11 -0.14 0.04 -1.26 -4.51 135.00 134.69 1ics s PRO 154 Ca 0.91 0.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 1ics s PRO 154 Cb -0.80 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1ics s PRO 154 CO 0.52 -1.28 0.34 0.50 0.04 0.00 0.00 177.00 177.12 1ics s ARG 155 N -5.21 4.10 -0.18 4.56 3.52 0.17 -4.45 118.95 121.46 1ics s ARG 155 Ca 0.59 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 56.12 1ics s ARG 155 Cb -0.13 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1ics s ARG 155 CO 0.53 0.40 1.18 0.50 -0.81 0.00 0.00 175.30 177.10 1ics s ARG 156 N -0.06 4.25 0.35 5.12 3.52 -1.24 -1.49 118.95 129.40 1ics s ARG 156 Ca 0.20 1.56 -0.28 0.00 -0.13 0.00 0.00 55.73 57.07 1ics s ARG 156 Cb -0.14 -3.70 -0.11 0.00 -1.56 0.00 0.00 34.95 29.44 1ics s ARG 156 CO 0.08 -0.65 1.41 -0.51 -0.81 0.00 0.00 175.30 174.81 1ics s LEU 157 N 3.28 4.37 0.71 -0.88 1.43 -0.24 -4.93 118.68 122.42 1ics s LEU 157 Ca 0.51 2.88 -0.11 0.00 -1.03 0.00 0.00 54.13 56.38 1ics s LEU 157 Cb -0.20 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.38 1ics s LEU 157 CO 0.12 -0.73 1.08 0.42 0.23 0.00 0.00 176.35 177.47 1ics s THR 158 N -1.04 3.73 0.26 5.49 -4.23 -1.26 -4.91 115.64 113.68 1ics s THR 158 Ca 0.52 0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 1ics s THR 158 Cb -0.43 -3.43 0.25 0.00 1.34 0.00 0.00 72.50 70.22 1ics s THR 158 CO 0.57 -0.73 1.87 0.74 -0.54 0.00 0.00 174.62 176.53 1ics h THR 159 N -0.72 1.05 -0.01 3.99 2.02 -2.02 -1.89 112.91 115.33 1ics h THR 159 Ca -0.45 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1ics h THR 159 Cb 1.24 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1ics h THR 159 CO 0.61 0.20 -0.10 -0.90 0.37 0.00 0.00 175.52 175.69 1ics n ASP 160 N -4.56 0.92 -0.00 4.18 3.85 -1.26 -3.50 116.55 116.18 1ics n ASP 160 Ca 0.15 -1.01 -0.12 0.00 -0.71 0.00 0.00 54.79 53.10 1ics n ASP 160 Cb 0.20 0.02 -0.14 0.00 -1.35 0.00 0.00 41.12 39.85 1ics n ASP 160 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1ics h GLU 161 N 1.28 0.08 -0.87 0.11 5.08 -1.72 -3.38 114.58 115.15 1ics h GLU 161 Ca 0.00 -0.14 0.19 0.00 -1.00 0.00 0.00 59.36 58.42 1ics h GLU 161 Cb 0.41 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 1ics h GLU 161 CO 0.00 0.74 0.40 0.82 -1.00 0.00 0.00 179.01 179.96 1ics h ILE 162 N 0.02 0.55 -0.58 3.13 2.04 -1.52 -0.14 117.51 121.02 1ics h ILE 162 Ca -0.29 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ics h ILE 162 Cb 2.00 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1ics h ILE 162 CO 0.09 0.08 0.37 -0.65 0.00 0.00 0.00 178.15 178.05 1ics h PRO 163 N 0.46 0.76 -0.36 2.37 0.11 -1.77 -1.34 132.00 132.24 1ics h PRO 163 Ca 0.52 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 1ics h PRO 163 Cb 0.92 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1ics h PRO 163 CO -0.48 0.51 0.17 1.96 -0.21 0.00 0.00 178.00 179.95 1ics h GLN 164 N 0.78 0.49 -0.08 1.05 4.20 -1.25 -0.17 115.11 120.13 1ics h GLN 164 Ca 0.21 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.66 1ics h GLN 164 Cb -0.08 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.62 1ics h GLN 164 CO -0.04 0.39 -0.78 0.82 -0.67 0.00 0.00 178.83 178.54 1ics h ILE 165 N 0.50 1.31 -0.68 2.54 1.08 -1.17 -2.71 117.51 118.38 1ics h ILE 165 Ca 0.13 -2.04 0.10 0.00 -0.39 0.00 0.00 64.86 62.66 1ics h ILE 165 Cb 0.06 2.21 -0.04 0.00 -3.07 0.00 0.00 36.82 35.98 1ics h ILE 165 CO -0.02 0.63 0.45 0.58 -0.69 0.00 0.00 178.15 179.10 1ics h VAL 166 N 0.34 0.92 -0.14 1.67 2.07 -0.68 -0.15 116.25 120.28 1ics h VAL 166 Ca -0.07 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1ics h VAL 166 Cb 1.43 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1ics h VAL 166 CO 0.16 0.10 -0.41 -1.13 0.02 0.00 0.00 177.57 176.31 1ics h ASN 167 N 0.55 0.32 -0.61 0.57 -0.73 -0.83 -2.66 115.58 112.19 1ics h ASN 167 Ca 0.31 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 1ics h ASN 167 Cb 0.49 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.97 1ics h ASN 167 CO -0.10 0.70 0.34 -0.33 -0.37 0.00 0.00 177.43 177.67 1ics h GLU 168 N 0.26 0.86 -0.45 6.67 5.08 -0.71 0.14 114.58 126.42 1ics h GLU 168 Ca 0.02 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ics h GLU 168 Cb 0.84 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ics h GLU 168 CO 0.07 0.65 0.29 0.74 -1.00 0.00 0.00 179.01 179.76 1ics h PHE 169 N 0.83 0.55 -0.08 4.33 -1.00 -1.38 0.30 116.94 120.50 1ics h PHE 169 Ca 0.22 0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.04 1ics h PHE 169 Cb 0.04 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 1ics h PHE 169 CO -0.01 0.34 -0.10 -0.09 -1.61 0.00 0.00 178.31 176.84 1ics h ARG 170 N 0.59 -0.12 -0.53 1.51 2.43 -1.03 0.66 114.38 117.88 1ics h ARG 170 Ca 0.17 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1ics h ARG 170 Cb -0.05 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1ics h ARG 170 CO -0.05 -0.08 0.14 0.28 -1.51 0.00 0.00 179.97 178.75 1ics h VAL 171 N -0.13 1.22 -0.26 0.20 2.07 -0.39 -2.04 116.25 116.93 1ics h VAL 171 Ca 0.06 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1ics h VAL 171 Cb 0.22 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1ics h VAL 171 CO -0.16 0.29 -0.23 0.00 0.02 0.00 0.00 177.57 177.50 1ics h ALA 172 N 1.36 1.12 -0.30 1.67 0.00 0.16 -1.69 119.26 121.59 1ics h ALA 172 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1ics h ALA 172 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ics h ALA 172 CO -0.00 0.55 0.06 0.00 0.00 0.00 0.00 179.25 179.86 1ics h ALA 173 N 1.32 0.39 -0.03 0.00 0.00 -0.35 -1.84 119.26 118.76 1ics h ALA 173 Ca 0.07 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ics h ALA 173 Cb 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1ics h ALA 173 CO 0.05 0.07 -0.21 -0.09 0.00 0.00 0.00 179.25 179.06 1ics h ARG 174 N 0.32 -0.31 -0.39 0.00 9.65 -1.11 -1.74 114.38 120.80 1ics h ARG 174 Ca 0.09 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1ics h ARG 174 Cb 0.31 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1ics h ARG 174 CO 0.00 -0.21 0.26 -0.91 2.80 0.00 0.00 179.97 181.91 1ics h ASN 175 N -0.33 0.41 -0.61 -3.80 2.35 -1.22 0.40 115.58 112.79 1ics h ASN 175 Ca 0.07 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1ics h ASN 175 Cb 0.42 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1ics h ASN 175 CO -0.22 0.30 0.16 0.00 -1.65 0.00 0.00 177.43 176.02 1ics h ALA 176 N 1.76 0.80 -0.65 -0.83 0.00 -0.58 0.24 119.26 120.00 1ics h ALA 176 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ics h ALA 176 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1ics h ALA 176 CO -0.03 0.50 0.14 0.82 0.00 0.00 0.00 179.25 180.67 1ics h ILE 177 N 0.88 1.26 -0.25 0.00 1.08 -0.35 -1.01 117.51 119.12 1ics h ILE 177 Ca 0.19 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 63.65 1ics h ILE 177 Cb 0.34 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 1ics h ILE 177 CO -0.00 0.37 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.73 1ics h GLU 178 N 0.99 0.37 0.00 2.37 4.81 -0.21 -0.15 114.58 122.76 1ics h GLU 178 Ca 0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1ics h GLU 178 Cb 0.38 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ics h GLU 178 CO 0.01 0.42 0.00 0.00 -0.73 0.00 0.00 179.01 178.70 1ics n ALA 179 N -2.49 2.19 0.00 2.92 0.00 0.78 -4.90 120.51 119.01 1ics n ALA 179 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ics n ALA 179 Cb 0.22 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1ics n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ics n GLY 180 N 1.07 0.52 3.67 0.00 0.00 -0.07 -4.00 105.19 106.38 1ics n GLY 180 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1ics n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ics n PHE 181 N -1.70 1.36 0.15 1.61 3.01 -0.46 -4.91 117.46 116.53 1ics n PHE 181 Ca 0.00 0.43 0.03 0.00 1.01 0.00 0.00 57.45 58.91 1ics n PHE 181 Cb 0.00 -2.20 0.14 0.00 -0.01 0.00 0.00 39.48 37.41 1ics n PHE 181 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ics h ASP 182 N 0.50 0.00 -1.12 4.37 3.32 -1.22 -3.42 116.42 118.85 1ics h ASP 182 Ca -0.50 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.65 1ics h ASP 182 Cb 1.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1ics h ASP 182 CO 0.52 0.50 0.29 0.61 -1.72 0.00 0.00 179.24 179.44 1ics n GLY 183 N 0.82 0.74 3.07 2.75 0.00 -1.16 -4.80 105.19 106.60 1ics n GLY 183 Ca 0.01 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1ics n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ics s VAL 184 N -2.23 0.53 -0.17 1.61 -7.23 -0.51 -1.41 120.40 111.00 1ics s VAL 184 Ca 0.10 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1ics s VAL 184 Cb -0.01 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 1ics s VAL 184 CO 0.01 -0.47 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.54 1ics s GLU 185 N -1.92 3.42 -0.02 4.82 2.12 0.51 -1.09 118.70 126.53 1ics s GLU 185 Ca -0.07 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 1ics s GLU 185 Cb -0.08 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 1ics s GLU 185 CO -0.01 0.06 0.96 0.42 -0.54 0.00 0.00 175.26 176.16 1ics s ILE 186 N 0.77 4.87 -1.07 -3.70 1.01 -0.68 -0.67 121.20 121.73 1ics s ILE 186 Ca -0.04 2.00 -0.19 0.00 0.00 0.00 0.00 60.65 62.42 1ics s ILE 186 Cb -0.15 -4.29 0.10 0.00 0.01 0.00 0.00 42.46 38.12 1ics s ILE 186 CO 0.02 0.14 1.40 -2.28 0.00 0.00 0.00 174.94 174.21 1ics s HIS 187 N 1.17 2.89 -0.47 3.97 2.46 -0.76 -0.82 115.29 123.73 1ics s HIS 187 Ca 0.50 -1.33 0.03 0.00 0.47 0.00 0.00 55.06 54.73 1ics s HIS 187 Cb -0.20 -4.53 0.61 0.00 -0.13 0.00 0.00 32.58 28.34 1ics s HIS 187 CO 0.25 -1.70 1.90 0.41 -2.47 0.00 0.00 174.74 173.13 1ics n GLY 188 N 5.80 4.81 2.77 1.59 0.00 0.52 -4.53 105.19 116.15 1ics n GLY 188 Ca 0.34 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 1ics n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ics n ALA 189 N -1.10 0.47 -2.45 4.61 0.00 -1.14 -4.18 120.51 116.73 1ics n ALA 189 Ca 0.58 -1.71 -0.16 0.00 0.00 0.00 0.00 53.44 52.15 1ics n ALA 189 Cb 1.44 1.15 -0.01 0.00 0.00 0.00 0.00 19.45 22.03 1ics n ALA 189 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ics n HIS 190 N -0.76 -1.29 -1.00 0.00 8.25 -1.26 -2.35 115.22 116.81 1ics n HIS 190 Ca -0.05 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1ics n HIS 190 Cb 0.51 -3.21 0.00 0.00 1.12 0.00 0.00 29.99 28.40 1ics n HIS 190 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ics n GLY 191 N -0.90 0.43 0.18 -1.41 0.00 -1.26 -4.57 105.19 97.67 1ics n GLY 191 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1ics n GLY 191 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ics n TYR 192 N -2.78 -3.88 -0.19 1.61 4.01 -0.99 -4.41 117.16 110.52 1ics n TYR 192 Ca 0.00 -0.05 -0.07 0.00 -0.16 0.00 0.00 57.90 57.61 1ics n TYR 192 Cb 0.09 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1ics n TYR 192 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ics h LEU 193 N 0.00 -1.33 -0.57 7.72 5.85 -1.17 0.20 115.31 126.00 1ics h LEU 193 Ca -0.02 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1ics h LEU 193 Cb 0.06 0.62 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1ics h LEU 193 CO 0.01 -0.33 0.25 0.40 -0.34 0.00 0.00 178.44 178.44 1ics h ILE 194 N -0.21 1.22 0.00 4.05 2.04 -1.80 -1.97 117.51 120.84 1ics h ILE 194 Ca 0.20 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1ics h ILE 194 Cb 0.56 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1ics h ILE 194 CO -0.67 0.26 -0.21 -0.78 0.00 0.00 0.00 178.15 176.75 1ics h ASP 195 N 0.79 0.00 -0.34 1.72 3.58 -1.53 -2.03 116.42 118.62 1ics h ASP 195 Ca 0.19 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1ics h ASP 195 Cb 0.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1ics h ASP 195 CO -0.02 0.21 0.15 1.56 -2.88 0.00 0.00 179.24 178.26 1ics h GLN 196 N 0.00 0.54 0.07 0.28 4.20 0.16 -0.67 115.11 119.70 1ics h GLN 196 Ca -0.00 -0.07 -0.26 0.00 0.06 0.00 0.00 58.65 58.38 1ics h GLN 196 Cb 0.37 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1ics h GLN 196 CO 0.03 0.45 -1.11 0.74 -0.67 0.00 0.00 178.83 178.27 1ics h PHE 197 N 0.54 0.66 -0.13 2.96 -1.00 -1.20 -3.15 116.94 115.63 1ics h PHE 197 Ca 0.13 -0.41 -0.21 0.00 2.81 0.00 0.00 57.97 60.30 1ics h PHE 197 Cb 0.11 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1ics h PHE 197 CO 0.01 1.26 -0.75 0.52 -1.61 0.00 0.00 178.31 177.74 1ics h MET 198 N 0.19 0.63 -6.26 1.51 2.86 -1.20 -3.42 114.93 109.23 1ics h MET 198 Ca -0.12 -0.51 -0.56 0.00 -2.06 0.00 0.00 59.70 56.45 1ics h MET 198 Cb 1.78 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.52 1ics h MET 198 CO 0.19 1.13 0.81 0.15 1.06 0.00 0.00 176.91 180.26 1ics s LYS 199 N -3.71 4.29 0.00 1.72 -0.14 -0.29 -4.86 119.74 116.75 1ics s LYS 199 Ca -0.08 1.74 0.18 0.00 -1.36 0.00 0.00 55.97 56.45 1ics s LYS 199 Cb 0.09 -3.65 0.83 0.00 -1.68 0.00 0.00 37.83 33.42 1ics s LYS 199 CO 0.88 -0.58 1.58 -0.40 -0.76 0.00 0.00 175.35 176.07 1ics n ASP 200 N 5.82 0.00 -0.12 2.83 5.68 -1.25 -0.98 116.55 128.53 1ics n ASP 200 Ca 0.13 0.36 0.14 0.00 -0.50 0.00 0.00 54.79 54.92 1ics n ASP 200 Cb 0.45 -0.44 0.57 0.00 -1.14 0.00 0.00 41.12 40.56 1ics n ASP 200 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ics n GLN 201 N -1.44 0.63 -0.01 0.11 1.13 -0.89 -4.27 117.38 112.64 1ics n GLN 201 Ca 0.06 -0.24 -0.03 0.00 -1.94 0.00 0.00 57.00 54.85 1ics n GLN 201 Cb 0.19 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.04 1ics n GLN 201 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ics n VAL 202 N -0.98 0.16 -2.53 5.09 0.31 -0.68 -4.92 118.33 114.79 1ics n VAL 202 Ca 0.13 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 1ics n VAL 202 Cb 0.29 -1.24 -0.03 0.00 -0.91 0.00 0.00 33.84 31.95 1ics n VAL 202 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1ics s ASN 203 N -4.95 6.20 -0.26 4.52 3.84 -0.15 -4.60 114.94 119.55 1ics s ASN 203 Ca -0.04 -0.23 0.10 0.00 0.21 0.00 0.00 52.86 52.90 1ics s ASN 203 Cb 0.01 -2.56 0.48 0.00 -0.55 0.00 0.00 41.25 38.64 1ics s ASN 203 CO 0.06 -1.76 1.40 -0.90 -2.79 0.00 0.00 177.10 173.11 1ics n ASP 204 N 9.26 2.34 -4.76 -4.21 3.85 -1.26 -4.70 116.55 117.07 1ics n ASP 204 Ca 0.06 -3.76 -0.33 0.00 -0.71 0.00 0.00 54.79 50.05 1ics n ASP 204 Cb 0.49 -0.60 0.05 0.00 -1.35 0.00 0.00 41.12 39.71 1ics n ASP 204 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1ics s ARG 205 N -3.22 2.70 -0.12 0.11 0.52 -1.26 -4.97 118.95 112.71 1ics s ARG 205 Ca 0.43 1.43 0.16 0.00 -0.52 0.00 0.00 55.73 57.23 1ics s ARG 205 Cb 0.39 -1.93 0.26 0.00 0.52 0.00 0.00 34.95 34.19 1ics s ARG 205 CO -0.01 -1.34 1.14 -1.13 0.02 0.00 0.00 175.30 173.97 1ics n SER 206 N -2.49 1.99 0.00 0.23 3.41 -1.26 -3.52 113.62 111.98 1ics n SER 206 Ca 0.11 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1ics n SER 206 Cb 0.52 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1ics n SER 206 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ics n ASP 207 N -1.21 0.70 0.00 4.04 5.75 -1.26 -4.99 116.55 119.57 1ics n ASP 207 Ca 0.14 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 55.02 1ics n ASP 207 Cb 0.66 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.27 1ics n ASP 207 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ics n LYS 208 N 0.00 0.34 -0.83 0.11 2.85 -1.26 -3.03 118.16 116.35 1ics n LYS 208 Ca 0.00 0.08 0.02 0.00 -1.05 0.00 0.00 58.31 57.37 1ics n LYS 208 Cb 0.00 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.21 1ics n LYS 208 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ics n TYR 209 N -1.24 1.88 -3.86 5.58 4.01 -1.26 -4.59 117.16 117.68 1ics n TYR 209 Ca 0.10 -0.98 -0.05 0.00 -0.16 0.00 0.00 57.90 56.82 1ics n TYR 209 Cb 0.14 -0.53 0.02 0.00 -0.31 0.00 0.00 39.34 38.67 1ics n TYR 209 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ics s GLY 210 N -1.26 0.18 0.00 2.72 0.00 -1.17 -4.18 107.32 103.62 1ics s GLY 210 Ca 0.51 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1ics s GLY 210 CO 0.12 1.75 0.00 0.61 0.00 0.00 0.00 173.10 175.58 1ics n GLY 211 N -0.66 1.50 3.46 0.20 0.00 -1.23 -4.67 105.19 103.80 1ics n GLY 211 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1ics n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ics s SER 212 N -3.22 -0.53 0.17 1.61 1.04 -1.26 -5.01 113.70 106.50 1ics s SER 212 Ca 0.00 0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 1ics s SER 212 Cb 0.00 0.53 0.11 0.00 0.10 0.00 0.00 66.02 66.75 1ics s SER 212 CO 0.00 -0.79 1.73 0.25 0.98 0.00 0.00 173.24 175.41 1ics h LEU 213 N 2.21 0.04 -0.52 2.42 5.85 -1.97 0.23 115.31 123.57 1ics h LEU 213 Ca -0.29 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1ics h LEU 213 Cb 1.26 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1ics h LEU 213 CO 0.36 0.06 0.32 -0.08 -0.34 0.00 0.00 178.44 178.75 1ics h GLU 214 N 0.23 0.62 -0.45 1.25 4.81 -1.97 -2.44 114.58 116.61 1ics h GLU 214 Ca 0.19 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1ics h GLU 214 Cb 0.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1ics h GLU 214 CO -0.24 0.41 -0.22 -0.91 -0.73 0.00 0.00 179.01 177.31 1ics h ASN 215 N 0.63 0.95 0.57 1.04 -0.26 -1.58 -2.64 115.58 114.30 1ics h ASN 215 Ca 0.20 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1ics h ASN 215 Cb -0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.00 1ics h ASN 215 CO -0.08 1.13 0.00 0.03 -1.06 0.00 0.00 177.43 177.45 1ics h ARG 216 N 0.80 0.00 -0.00 0.81 3.08 -0.32 -2.57 114.38 116.18 1ics h ARG 216 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ics h ARG 216 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1ics h ARG 216 CO 0.06 0.00 -0.70 0.00 -1.07 0.00 0.00 179.97 178.27 1ics h ARG 218 N 0.65 0.00 -0.28 0.00 2.43 -1.10 -1.90 114.38 114.19 1ics h ARG 218 Ca 0.00 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1ics h ARG 218 Cb 0.49 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 1ics h ARG 218 CO 0.00 0.00 -0.01 0.35 -1.51 0.00 0.00 179.97 178.80 1ics h PHE 219 N 0.00 -0.04 -0.35 2.20 3.57 -1.81 0.32 116.94 120.83 1ics h PHE 219 Ca 0.22 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1ics h PHE 219 Cb 0.33 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1ics h PHE 219 CO -0.39 -0.06 0.20 0.00 -2.23 0.00 0.00 178.31 175.83 1ics h ALA 220 N 1.24 0.45 -0.27 2.41 0.00 -1.78 -1.74 119.26 119.58 1ics h ALA 220 Ca 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ics h ALA 220 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ics h ALA 220 CO -0.23 -0.03 -0.20 -0.07 0.00 0.00 0.00 179.25 178.72 1ics h LEU 221 N 0.45 0.48 -1.73 0.00 3.38 -0.92 -0.80 115.31 116.18 1ics h LEU 221 Ca 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ics h LEU 221 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ics h LEU 221 CO -0.02 0.70 -0.17 -0.33 0.09 0.00 0.00 178.44 178.71 1ics h GLU 222 N 0.44 0.00 0.22 1.13 5.08 0.03 -0.52 114.58 120.96 1ics h GLU 222 Ca 0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.11 1ics h GLU 222 Cb 0.60 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.89 1ics h GLU 222 CO 0.04 0.17 -1.37 0.82 -1.00 0.00 0.00 179.01 177.67 1ics h ILE 223 N 0.00 1.30 -0.28 3.13 2.04 -0.43 -2.38 117.51 120.89 1ics h ILE 223 Ca -0.00 -2.62 -0.00 0.00 1.00 0.00 0.00 64.86 63.23 1ics h ILE 223 Cb 0.35 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1ics h ILE 223 CO 0.02 0.79 0.16 0.58 0.00 0.00 0.00 178.15 179.70 1ics h VAL 224 N 0.14 1.12 0.06 1.67 2.07 -0.77 0.13 116.25 120.68 1ics h VAL 224 Ca -0.23 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ics h VAL 224 Cb 2.07 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1ics h VAL 224 CO 0.26 0.12 -0.06 -0.08 0.02 0.00 0.00 177.57 177.83 1ics h GLU 225 N 0.34 -0.13 -0.68 1.57 4.81 -1.19 0.26 114.58 119.57 1ics h GLU 225 Ca 0.10 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1ics h GLU 225 Cb 0.05 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1ics h GLU 225 CO -0.02 -0.09 0.23 0.00 -0.73 0.00 0.00 179.01 178.41 1ics h ALA 226 N 0.80 1.12 -0.07 2.92 0.00 -1.24 -0.20 119.26 122.59 1ics h ALA 226 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 1ics h ALA 226 Cb 0.13 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ics h ALA 226 CO -0.02 0.61 -0.76 0.28 0.00 0.00 0.00 179.25 179.36 1ics h VAL 227 N 1.00 1.33 -0.51 0.00 2.07 -0.55 -2.33 116.25 117.26 1ics h VAL 227 Ca 0.22 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.65 1ics h VAL 227 Cb 0.26 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1ics h VAL 227 CO -0.01 0.63 0.11 0.00 0.02 0.00 0.00 177.57 178.31 1ics h ALA 228 N 0.44 0.67 -0.22 1.67 0.00 -0.38 -1.08 119.26 120.36 1ics h ALA 228 Ca -0.08 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1ics h ALA 228 Cb 1.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ics h ALA 228 CO 0.15 0.38 -0.20 -0.91 0.00 0.00 0.00 179.25 178.67 1ics h ASN 229 N 0.71 0.38 -0.17 0.00 2.35 -1.09 1.12 115.58 118.88 1ics h ASN 229 Ca 0.16 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1ics h ASN 229 Cb 0.35 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1ics h ASN 229 CO 0.00 0.60 -0.32 -0.08 -1.65 0.00 0.00 177.43 175.98 1ics h GLU 230 N 0.35 0.52 0.00 0.81 4.57 -1.04 -3.38 114.58 116.41 1ics h GLU 230 Ca 0.06 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1ics h GLU 230 Cb 0.56 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1ics h GLU 230 CO 0.04 0.94 0.00 0.44 -1.18 0.00 0.00 179.01 179.24 1ics n ILE 231 N -4.35 0.30 -0.03 2.32 -5.35 -0.44 -4.99 119.36 106.83 1ics n ILE 231 Ca -0.06 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1ics n ILE 231 Cb 0.49 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1ics n ILE 231 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ics n GLY 232 N -0.15 0.26 0.33 3.28 0.00 0.39 -4.65 105.19 104.64 1ics n GLY 232 Ca 0.00 -1.23 0.15 0.00 0.00 0.00 0.00 46.02 44.94 1ics n GLY 232 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ics h SER 233 N 0.00 0.00 0.00 1.61 4.64 -1.83 -0.99 113.55 116.98 1ics h SER 233 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ics h SER 233 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ics h SER 233 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1ics n ASP 234 N -4.35 0.00 -0.17 4.97 3.85 -1.26 -2.12 116.55 117.47 1ics n ASP 234 Ca 0.04 -0.94 0.06 0.00 -0.71 0.00 0.00 54.79 53.24 1ics n ASP 234 Cb 0.38 0.00 0.09 0.00 -1.35 0.00 0.00 41.12 40.24 1ics n ASP 234 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ics n ARG 235 N -0.81 1.05 -4.73 0.11 1.74 -0.37 -4.31 116.66 109.34 1ics n ARG 235 Ca 0.10 -2.00 -0.28 0.00 -0.77 0.00 0.00 57.85 54.90 1ics n ARG 235 Cb 0.05 -1.16 -0.17 0.00 -1.02 0.00 0.00 32.46 30.16 1ics n ARG 235 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ics s VAL 236 N -1.86 1.54 0.41 1.55 1.01 -0.90 -1.42 120.40 120.73 1ics s VAL 236 Ca 0.20 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1ics s VAL 236 Cb 0.17 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.12 1ics s VAL 236 CO 0.02 0.45 0.02 -0.83 0.00 0.00 0.00 175.10 174.76 1ics s GLY 237 N 0.68 2.52 -0.14 4.51 0.00 -0.25 -0.27 107.32 114.37 1ics s GLY 237 Ca -0.13 -1.87 -0.13 0.00 0.00 0.00 0.00 44.72 42.59 1ics s GLY 237 CO 0.03 -2.05 0.37 -1.50 0.00 0.00 0.00 173.10 169.96 1ics s ILE 238 N -2.88 0.00 -0.09 0.90 2.07 -1.22 -1.68 121.20 118.30 1ics s ILE 238 Ca 0.30 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.54 1ics s ILE 238 Cb 0.08 -0.53 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 1ics s ILE 238 CO 0.15 -0.01 -0.14 -0.60 -1.91 0.00 0.00 174.94 172.43 1ics s ARG 239 N 0.16 2.91 0.06 3.50 3.52 -0.00 -0.74 118.95 128.35 1ics s ARG 239 Ca -0.00 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1ics s ARG 239 Cb -0.03 -2.50 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 1ics s ARG 239 CO 0.01 0.44 -0.05 0.96 -0.81 0.00 0.00 175.30 175.84 1ics s ILE 240 N -0.24 0.42 -0.40 4.11 -4.36 -0.13 -0.35 121.20 120.24 1ics s ILE 240 Ca 0.01 -1.55 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 1ics s ILE 240 Cb -0.13 -1.17 0.23 0.00 1.25 0.00 0.00 42.46 42.64 1ics s ILE 240 CO 0.03 -0.75 0.50 -1.54 0.24 0.00 0.00 174.94 173.43 1ics n SER 241 N 0.59 -0.25 0.26 4.36 3.41 -1.26 -1.76 113.62 118.97 1ics n SER 241 Ca -0.17 -2.66 0.10 0.00 -0.26 0.00 0.00 58.87 55.89 1ics n SER 241 Cb 0.59 -0.42 0.71 0.00 -0.26 0.00 0.00 64.21 64.83 1ics n SER 241 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1ics h PRO 242 N 4.40 0.00 -0.00 4.33 0.11 -1.91 -2.47 132.00 136.46 1ics h PRO 242 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ics h PRO 242 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ics h PRO 242 CO 0.42 0.00 -0.50 1.19 -0.21 0.00 0.00 178.00 178.91 1ics n PHE 243 N -4.37 0.00 -2.55 0.65 3.01 -1.26 -4.65 117.46 108.29 1ics n PHE 243 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.10 1ics n PHE 243 Cb 0.11 -0.13 -0.04 0.00 -0.01 0.00 0.00 39.48 39.42 1ics n PHE 243 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ics s ALA 244 N -2.76 2.88 0.00 4.37 0.00 -0.93 -4.81 121.76 120.51 1ics s ALA 244 Ca 0.16 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1ics s ALA 244 Cb 0.18 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1ics s ALA 244 CO 0.65 -0.29 0.77 0.72 0.00 0.00 0.00 175.76 177.61 1ics n HIS 245 N -0.93 0.00 -1.53 0.00 8.25 -1.26 -4.24 115.22 115.52 1ics n HIS 245 Ca 0.09 -0.29 -0.44 0.00 -0.26 0.00 0.00 57.72 56.82 1ics n HIS 245 Cb 0.52 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.60 1ics n HIS 245 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ics n TYR 246 N -0.29 0.55 -2.81 4.41 4.01 -1.26 -1.70 117.16 120.06 1ics n TYR 246 Ca 0.00 0.70 -0.21 0.00 -0.16 0.00 0.00 57.90 58.23 1ics n TYR 246 Cb 0.18 -2.14 0.01 0.00 -0.31 0.00 0.00 39.34 37.08 1ics n TYR 246 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ics n ASN 247 N 1.25 -5.56 -3.78 7.72 3.02 -1.26 -2.34 115.26 114.30 1ics n ASN 247 Ca 0.11 -0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 54.23 1ics n ASN 247 Cb 0.34 -4.56 0.04 0.00 -0.61 0.00 0.00 39.78 34.99 1ics n ASN 247 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ics n GLU 248 N -3.57 -5.98 -2.88 3.52 1.02 -0.69 -4.92 120.64 107.14 1ics n GLU 248 Ca -0.15 0.66 -0.29 0.00 -0.02 0.00 0.00 57.16 57.37 1ics n GLU 248 Cb 0.63 -5.53 -0.03 0.00 -0.02 0.00 0.00 31.44 26.49 1ics n GLU 248 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ics n ALA 249 N -4.64 4.87 -2.01 0.62 0.00 -0.99 -4.65 120.51 113.71 1ics n ALA 249 Ca -0.05 -4.67 -0.19 0.00 0.00 0.00 0.00 53.44 48.52 1ics n ALA 249 Cb 0.57 -0.88 0.04 0.00 0.00 0.00 0.00 19.45 19.17 1ics n ALA 249 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ics s GLY 250 N -3.24 1.85 0.03 0.00 0.00 -1.26 -4.47 107.32 100.24 1ics s GLY 250 Ca 0.48 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1ics s GLY 250 CO -0.14 -1.43 -0.10 -0.35 0.00 0.00 0.00 173.10 171.08 1ics s ASP 251 N -4.48 1.11 0.47 1.64 -1.08 -1.26 -2.09 116.67 110.98 1ics s ASP 251 Ca 0.58 -0.42 0.27 0.00 -0.52 0.00 0.00 52.55 52.46 1ics s ASP 251 Cb -0.09 -0.04 1.06 0.00 -1.46 0.00 0.00 42.92 42.39 1ics s ASP 251 CO 0.36 -0.06 1.88 0.71 0.52 0.00 0.00 175.17 178.58 1ics h THR 252 N 4.61 0.40 -2.36 1.71 1.35 -1.97 -3.35 112.91 113.29 1ics h THR 252 Ca -0.35 -0.93 -0.59 0.00 -0.55 0.00 0.00 66.41 63.99 1ics h THR 252 Cb 1.19 1.68 -0.39 0.00 -1.73 0.00 0.00 68.15 68.90 1ics h THR 252 CO 0.44 0.15 -0.90 -3.20 -0.25 0.00 0.00 175.52 171.76 1ics n ASN 253 N -3.32 0.81 0.03 5.36 2.85 -1.26 -5.01 115.26 114.72 1ics n ASN 253 Ca 0.00 -2.73 -0.10 0.00 -0.11 0.00 0.00 54.58 51.63 1ics n ASN 253 Cb 0.39 -0.63 -0.04 0.00 1.24 0.00 0.00 39.78 40.74 1ics n ASN 253 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ics h PRO 254 N 4.95 -0.19 -0.80 1.20 0.11 -1.84 -1.34 132.00 134.10 1ics h PRO 254 Ca 0.18 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ics h PRO 254 Cb 0.84 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1ics h PRO 254 CO 0.51 -0.13 0.48 1.79 -0.21 0.00 0.00 178.00 180.44 1ics h THR 255 N -0.20 1.22 -0.29 -1.15 1.35 -1.95 0.93 112.91 112.82 1ics h THR 255 Ca 0.06 -0.49 -0.07 0.00 -0.55 0.00 0.00 66.41 65.36 1ics h THR 255 Cb 0.28 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.79 1ics h THR 255 CO -0.16 0.23 -0.09 0.00 -0.25 0.00 0.00 175.52 175.25 1ics h ALA 256 N 1.43 0.40 -0.46 6.62 0.00 -1.95 -0.33 119.26 124.96 1ics h ALA 256 Ca 0.29 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ics h ALA 256 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1ics h ALA 256 CO -0.05 0.24 0.24 1.25 0.00 0.00 0.00 179.25 180.93 1ics h LEU 257 N 0.33 0.37 -0.83 0.00 5.85 -0.50 -1.15 115.31 119.38 1ics h LEU 257 Ca 0.07 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1ics h LEU 257 Cb 0.59 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1ics h LEU 257 CO 0.03 0.26 -0.18 1.23 -0.34 0.00 0.00 178.44 179.44 1ics h GLY 258 N 0.49 0.74 0.72 3.75 0.00 -0.70 -2.19 103.07 105.87 1ics h GLY 258 Ca 0.20 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1ics h GLY 258 CO -0.12 0.54 -0.01 -2.00 0.00 0.00 0.00 176.54 174.94 1ics h LEU 259 N 0.61 0.16 -0.75 3.11 5.85 -0.74 -2.24 115.31 121.31 1ics h LEU 259 Ca 0.10 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.54 1ics h LEU 259 Cb 0.64 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1ics h LEU 259 CO 0.05 0.46 0.43 0.22 -0.34 0.00 0.00 178.44 179.26 1ics h TYR 260 N -0.15 0.80 -0.25 1.25 3.20 -1.15 -0.97 116.97 119.70 1ics h TYR 260 Ca 0.02 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1ics h TYR 260 Cb 0.39 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1ics h TYR 260 CO 0.04 0.37 0.03 0.52 -1.64 0.00 0.00 178.16 177.48 1ics h MET 261 N 0.78 0.42 -0.43 1.82 2.86 -1.33 -0.75 114.93 118.29 1ics h MET 261 Ca 0.34 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 1ics h MET 261 Cb 0.23 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1ics h MET 261 CO -0.20 0.56 -0.08 -0.39 1.06 0.00 0.00 176.91 177.86 1ics h VAL 262 N 0.22 1.25 -0.44 -2.22 -1.51 -1.05 0.56 116.25 113.05 1ics h VAL 262 Ca 0.07 -1.11 -0.14 0.00 -1.23 0.00 0.00 66.70 64.29 1ics h VAL 262 Cb 0.36 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1ics h VAL 262 CO 0.01 0.38 -0.28 -0.33 -1.23 0.00 0.00 177.57 176.12 1ics h GLU 263 N 0.69 0.97 0.00 5.19 5.08 -1.10 -2.75 114.58 122.65 1ics h GLU 263 Ca 0.12 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 1ics h GLU 263 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ics h GLU 263 CO 0.03 1.12 -0.37 0.77 -1.00 0.00 0.00 179.01 179.56 1ics h SER 264 N 0.81 0.00 1.37 1.42 0.02 -0.90 -2.87 113.55 113.40 1ics h SER 264 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ics h SER 264 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1ics h SER 264 CO 0.08 0.37 0.00 -0.07 -1.14 0.00 0.00 176.83 176.07 1ics h LEU 265 N 0.00 0.00 -0.20 5.07 3.38 -0.61 -3.32 115.31 119.62 1ics h LEU 265 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ics h LEU 265 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1ics h LEU 265 CO 0.05 0.00 0.13 0.78 0.09 0.00 0.00 178.44 179.49 1ics h ASN 266 N 0.00 0.24 0.00 -0.43 2.35 -1.25 -2.68 115.58 113.80 1ics h ASN 266 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1ics h ASN 266 Cb 0.68 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1ics h ASN 266 CO 0.00 0.18 0.11 0.07 -1.65 0.00 0.00 177.43 176.14 1ics h LYS 267 N 0.27 0.00 0.00 0.81 2.10 -1.75 -1.68 116.57 116.32 1ics h LYS 267 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1ics h LYS 267 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1ics h LYS 267 CO -0.02 0.00 -0.71 0.66 -2.00 0.00 0.00 179.45 177.39 1ics n TYR 268 N -2.46 0.33 -3.71 0.07 4.02 -1.01 -5.00 117.16 109.40 1ics n TYR 268 Ca -0.02 0.10 -0.33 0.00 -0.01 0.00 0.00 57.90 57.64 1ics n TYR 268 Cb 0.15 -0.49 0.04 0.00 -0.02 0.00 0.00 39.34 39.02 1ics n TYR 268 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1ics n ASP 269 N -1.91 -5.27 -4.22 7.72 2.03 -0.63 -4.76 116.55 109.50 1ics n ASP 269 Ca 0.03 -1.03 -0.30 0.00 0.52 0.00 0.00 54.79 54.02 1ics n ASP 269 Cb 0.41 -3.23 0.18 0.00 -0.72 0.00 0.00 41.12 37.77 1ics n ASP 269 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ics s LEU 270 N -6.51 2.01 0.42 -2.67 1.43 -1.26 -4.15 118.68 107.95 1ics s LEU 270 Ca 0.47 0.53 0.23 0.00 -1.03 0.00 0.00 54.13 54.33 1ics s LEU 270 Cb -0.18 -2.57 0.58 0.00 0.03 0.00 0.00 46.19 44.05 1ics s LEU 270 CO 0.87 -3.03 1.68 0.00 0.23 0.00 0.00 176.35 176.10 1ics h ALA 271 N -1.84 0.92 0.00 4.21 0.00 -0.28 -3.46 119.26 118.83 1ics h ALA 271 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ics h ALA 271 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ics h ALA 271 CO 0.43 0.22 0.00 2.48 0.00 0.00 0.00 179.25 182.38 1ics n TYR 272 N -3.20 0.00 -4.27 0.00 0.18 -1.23 -4.45 117.16 104.19 1ics n TYR 272 Ca 0.02 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.56 1ics n TYR 272 Cb 0.52 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.31 1ics n TYR 272 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ics s HIS 274 N 1.05 3.06 -0.05 0.00 2.46 0.08 -0.43 115.29 121.46 1ics s HIS 274 Ca -0.08 -0.73 0.04 0.00 0.47 0.00 0.00 55.06 54.76 1ics s HIS 274 Cb -0.14 -2.20 -0.00 0.00 -0.13 0.00 0.00 32.58 30.10 1ics s HIS 274 CO -0.01 -0.48 -0.17 0.08 -2.47 0.00 0.00 174.74 171.69 1ics s VAL 275 N 1.54 1.48 -0.07 0.89 1.01 0.51 -0.95 120.40 124.81 1ics s VAL 275 Ca 0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 1ics s VAL 275 Cb -0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1ics s VAL 275 CO 0.01 0.43 0.77 -0.69 0.00 0.00 0.00 175.10 175.62 1ics s VAL 276 N 0.16 4.99 0.62 2.92 1.01 -0.72 -2.66 120.40 126.72 1ics s VAL 276 Ca -0.07 1.59 -0.19 0.00 0.00 0.00 0.00 61.98 63.31 1ics s VAL 276 Cb -0.13 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1ics s VAL 276 CO 0.03 0.20 1.19 -0.62 0.00 0.00 0.00 175.10 175.91 1ics n GLU 277 N 4.00 1.11 -2.36 2.72 -0.58 0.44 -4.77 120.64 121.19 1ics n GLU 277 Ca 0.01 0.43 -0.40 0.00 -0.42 0.00 0.00 57.16 56.78 1ics n GLU 277 Cb 0.51 -2.41 -0.03 0.00 -0.57 0.00 0.00 31.44 28.93 1ics n GLU 277 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ics s PRO 278 N -3.10 4.45 0.00 3.49 0.04 -1.26 -4.92 135.00 133.69 1ics s PRO 278 Ca 0.79 1.90 0.18 0.00 0.04 0.00 0.00 61.00 63.90 1ics s PRO 278 Cb -0.40 -3.04 1.05 0.00 0.04 0.00 0.00 34.50 32.15 1ics s PRO 278 CO 0.44 0.01 1.49 2.89 0.04 0.00 0.00 177.00 181.86 1ics n ARG 279 N 0.84 0.69 -4.14 4.56 0.00 -1.26 -5.10 116.66 112.24 1ics n ARG 279 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.63 1ics n ARG 279 Cb 0.45 -1.40 -0.06 0.00 -0.00 0.00 0.00 32.46 31.44 1ics n ARG 279 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1ics s THR 290 N -2.00 3.44 -0.13 8.89 2.01 -1.26 -5.21 115.64 121.38 1ics s THR 290 Ca 0.26 -1.69 -0.11 0.00 0.31 0.00 0.00 61.69 60.46 1ics s THR 290 Cb 0.12 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 1ics s THR 290 CO 0.20 -0.27 0.23 -1.61 -0.69 0.00 0.00 174.62 172.48 1ics s GLU 291 N -3.80 3.91 0.08 4.92 2.02 -1.26 -5.05 118.70 119.52 1ics s GLU 291 Ca 0.35 0.02 -0.13 0.00 0.02 0.00 0.00 54.97 55.23 1ics s GLU 291 Cb -0.05 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.89 1ics s GLU 291 CO 0.22 0.51 0.30 0.45 0.02 0.00 0.00 175.26 176.77 1ics s SER 292 N -0.32 -0.09 0.00 -0.19 0.15 -1.26 -4.89 113.70 107.09 1ics s SER 292 Ca 0.16 -0.34 0.23 0.00 0.70 0.00 0.00 55.95 56.70 1ics s SER 292 Cb -0.13 0.39 0.15 0.00 -1.71 0.00 0.00 66.02 64.71 1ics s SER 292 CO 0.04 -0.71 1.20 0.18 1.20 0.00 0.00 173.24 175.15 1ics n LEU 293 N 0.20 2.75 -0.01 3.45 4.77 -1.26 -4.52 117.00 122.37 1ics n LEU 293 Ca -0.17 -0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 54.75 1ics n LEU 293 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1ics n LEU 293 CO 0.20 0.47 0.88 0.58 -1.33 0.00 0.00 177.39 178.19 1ics h VAL 294 N 4.13 0.95 -0.61 4.08 2.07 -1.96 -0.23 116.25 124.68 1ics h VAL 294 Ca 0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1ics h VAL 294 Cb 0.92 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1ics h VAL 294 CO 0.00 0.01 0.40 -0.65 0.02 0.00 0.00 177.57 177.36 1ics h PRO 295 N 0.08 0.59 -0.20 1.57 0.11 -2.00 -1.63 132.00 130.52 1ics h PRO 295 Ca 0.05 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.94 1ics h PRO 295 Cb 0.04 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.03 1ics h PRO 295 CO -0.07 0.39 -0.62 0.52 -0.21 0.00 0.00 178.00 178.01 1ics h MET 296 N 0.61 0.78 -0.67 1.05 2.86 -1.69 -1.92 114.93 115.95 1ics h MET 296 Ca 0.26 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1ics h MET 296 Cb 0.25 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1ics h MET 296 CO -0.08 1.19 0.43 -0.09 1.06 0.00 0.00 176.91 179.42 1ics h ARG 297 N 0.52 0.89 -0.09 1.72 1.12 -0.53 -1.04 114.38 116.96 1ics h ARG 297 Ca -0.02 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.69 1ics h ARG 297 Cb 1.24 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.99 1ics h ARG 297 CO 0.13 0.61 -0.37 0.87 -3.11 0.00 0.00 179.97 178.11 1ics h LYS 298 N 0.91 0.19 0.00 0.20 1.57 -1.27 -3.00 116.57 115.17 1ics h LYS 298 Ca 0.24 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ics h LYS 298 Cb -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1ics h LYS 298 CO -0.05 0.54 -0.27 0.00 -0.57 0.00 0.00 179.45 179.10 1ics h ALA 299 N 1.46 0.86 -2.93 3.86 0.00 -0.86 -3.45 119.26 118.20 1ics h ALA 299 Ca 0.02 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.35 1ics h ALA 299 Cb 0.73 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1ics h ALA 299 CO 0.05 0.00 -0.16 -0.47 0.00 0.00 0.00 179.25 178.67 1ics s TYR 300 N -3.25 3.49 -1.96 0.00 6.14 -0.44 -4.57 117.35 116.77 1ics s TYR 300 Ca 0.05 0.83 0.27 0.00 0.64 0.00 0.00 57.07 58.87 1ics s TYR 300 Cb 0.07 -2.53 0.90 0.00 0.42 0.00 0.00 41.96 40.82 1ics s TYR 300 CO 0.70 0.16 1.66 1.63 0.64 0.00 0.00 175.55 180.33 1ics n LYS 301 N 3.75 1.06 -0.74 4.97 4.76 -1.26 -4.92 118.16 125.78 1ics n LYS 301 Ca -0.08 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1ics n LYS 301 Cb 0.52 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1ics n LYS 301 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ics n GLY 302 N 1.28 3.09 3.72 0.72 0.00 -1.26 -5.06 105.19 107.68 1ics n GLY 302 Ca 0.14 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1ics n GLY 302 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ics s THR 303 N 0.96 3.02 -0.18 2.61 2.01 -1.26 -4.94 115.64 117.85 1ics s THR 303 Ca 0.00 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 1ics s THR 303 Cb 0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 1ics s THR 303 CO 0.00 0.06 -0.11 0.12 -0.69 0.00 0.00 174.62 174.00 1ics s PHE 304 N 1.13 2.87 -0.10 4.92 5.36 -1.26 -1.55 117.98 129.35 1ics s PHE 304 Ca 0.67 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 1ics s PHE 304 Cb -0.40 -1.97 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 1ics s PHE 304 CO 0.31 -0.47 -0.09 0.42 -1.46 0.00 0.00 175.22 173.92 1ics s ILE 305 N 1.01 3.47 0.20 3.12 1.01 0.43 -1.02 121.20 129.42 1ics s ILE 305 Ca -0.01 -0.54 0.10 0.00 0.00 0.00 0.00 60.65 60.20 1ics s ILE 305 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1ics s ILE 305 CO -0.02 0.56 -0.14 0.68 0.00 0.00 0.00 174.94 176.02 1ics s VAL 306 N -0.25 2.91 0.07 2.92 -7.23 -0.79 -0.36 120.40 117.67 1ics s VAL 306 Ca 0.03 -1.84 -0.19 0.00 -1.81 0.00 0.00 61.98 58.17 1ics s VAL 306 Cb -0.13 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.41 1ics s VAL 306 CO 0.03 -0.15 0.46 0.00 -0.31 0.00 0.00 175.10 175.13 1ics s ALA 307 N -1.79 -1.14 0.00 1.32 0.00 -1.09 -1.04 121.76 118.02 1ics s ALA 307 Ca 0.24 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1ics s ALA 307 Cb -0.08 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1ics s ALA 307 CO 0.14 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1ics n GLY 308 N 0.24 1.48 1.96 0.00 0.00 -1.26 -0.42 105.19 107.19 1ics n GLY 308 Ca -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1ics n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ics n GLY 309 N 0.00 0.67 3.82 -0.02 0.00 -1.26 -4.75 105.19 103.64 1ics n GLY 309 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ics n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ics s TYR 310 N -2.47 3.19 0.00 1.61 1.51 -1.26 -5.04 117.35 114.89 1ics s TYR 310 Ca 0.00 1.48 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1ics s TYR 310 Cb 0.00 -2.91 0.00 0.00 -0.11 0.00 0.00 41.96 38.94 1ics s TYR 310 CO 0.00 -0.85 0.00 -0.40 -1.11 0.00 0.00 175.55 173.19 1ics n ASP 311 N -2.00 0.25 0.24 2.29 5.68 -1.26 -4.97 116.55 116.78 1ics n ASP 311 Ca 0.08 -0.61 -0.16 0.00 -0.50 0.00 0.00 54.79 53.61 1ics n ASP 311 Cb 0.53 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.43 1ics n ASP 311 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ics h ARG 312 N 0.00 -0.53 0.34 0.11 2.43 -1.98 -1.21 114.38 113.54 1ics h ARG 312 Ca 0.00 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1ics h ARG 312 Cb 0.00 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1ics h ARG 312 CO 0.00 -0.34 -0.28 1.49 -1.51 0.00 0.00 179.97 179.33 1ics h GLU 313 N -0.57 -0.60 0.00 0.20 4.81 -2.00 -1.10 114.58 115.32 1ics h GLU 313 Ca -0.06 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1ics h GLU 313 Cb 0.44 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ics h GLU 313 CO 0.09 -0.40 -0.16 -0.44 -0.73 0.00 0.00 179.01 177.37 1ics h ASP 314 N -0.63 0.00 -0.07 1.04 3.32 -1.96 -1.67 116.42 116.46 1ics h ASP 314 Ca -0.03 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1ics h ASP 314 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1ics h ASP 314 CO -0.02 0.16 -0.29 1.23 -1.72 0.00 0.00 179.24 178.60 1ics h GLY 315 N 1.04 0.35 0.95 2.75 0.00 -0.80 -2.07 103.07 105.29 1ics h GLY 315 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1ics h GLY 315 CO 0.02 0.43 0.12 3.43 0.00 0.00 0.00 176.54 180.54 1ics h ASN 316 N -0.18 0.64 -0.32 0.19 2.35 -0.98 -2.73 115.58 114.55 1ics h ASN 316 Ca -0.02 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1ics h ASN 316 Cb 0.93 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 1ics h ASN 316 CO 0.06 0.69 0.22 -0.09 -1.65 0.00 0.00 177.43 176.66 1ics h ARG 317 N 0.55 0.36 -0.48 0.81 2.43 -1.34 0.25 114.38 116.97 1ics h ARG 317 Ca 0.14 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1ics h ARG 317 Cb 0.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1ics h ARG 317 CO -0.00 0.24 -0.00 0.00 -1.51 0.00 0.00 179.97 178.69 1ics h ALA 318 N 1.81 0.64 -0.37 2.80 0.00 -1.06 -0.77 119.26 122.30 1ics h ALA 318 Ca 0.13 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1ics h ALA 318 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ics h ALA 318 CO -0.03 0.45 -0.38 -0.07 0.00 0.00 0.00 179.25 179.22 1ics h LEU 319 N 0.70 0.96 -1.00 0.00 3.38 -1.11 -0.11 115.31 118.13 1ics h LEU 319 Ca 0.13 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1ics h LEU 319 Cb 0.51 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ics h LEU 319 CO 0.03 1.22 0.06 0.40 0.09 0.00 0.00 178.44 180.23 1ics h ILE 320 N 0.73 1.23 -0.01 1.22 1.08 -0.84 -1.73 117.51 119.20 1ics h ILE 320 Ca 0.06 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1ics h ILE 320 Cb 0.96 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 1ics h ILE 320 CO 0.09 0.32 -0.00 -0.62 -0.69 0.00 0.00 178.15 177.25 1ics n GLU 321 N -4.25 1.26 -3.14 2.37 1.02 -0.31 -4.91 120.64 112.68 1ics n GLU 321 Ca 0.03 -0.39 -0.23 0.00 -0.02 0.00 0.00 57.16 56.55 1ics n GLU 321 Cb 0.26 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1ics n GLU 321 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ics n ASP 322 N -0.53 -6.20 -0.26 1.62 2.03 -0.65 -4.88 116.55 107.68 1ics n ASP 322 Ca 0.22 -0.34 0.13 0.00 0.52 0.00 0.00 54.79 55.32 1ics n ASP 322 Cb 0.21 -4.98 0.38 0.00 -0.72 0.00 0.00 41.12 36.01 1ics n ASP 322 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ics n ARG 323 N -4.24 0.89 -3.60 -0.67 1.74 -0.11 -4.96 116.66 105.72 1ics n ARG 323 Ca -0.09 -0.53 -0.05 0.00 -0.77 0.00 0.00 57.85 56.42 1ics n ARG 323 Cb 0.61 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 1ics n ARG 323 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ics s ALA 324 N -2.48 -1.95 -0.18 7.54 0.00 -1.25 -4.88 121.76 118.57 1ics s ALA 324 Ca 0.25 1.00 0.14 0.00 0.00 0.00 0.00 51.96 53.35 1ics s ALA 324 Cb 0.19 0.27 -0.21 0.00 0.00 0.00 0.00 23.12 23.37 1ics s ALA 324 CO 0.51 -0.78 0.03 -0.25 0.00 0.00 0.00 175.76 175.27 1ics n ASP 325 N -0.28 0.75 -4.15 0.00 8.00 -0.19 -4.56 116.55 116.12 1ics n ASP 325 Ca -0.05 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.28 1ics n ASP 325 Cb 0.61 0.80 -0.11 0.00 -0.02 0.00 0.00 41.12 42.39 1ics n ASP 325 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ics s LEU 326 N -5.43 2.32 -0.12 0.64 1.43 -0.86 -4.90 118.68 111.76 1ics s LEU 326 Ca -0.11 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1ics s LEU 326 Cb 0.06 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.93 1ics s LEU 326 CO 0.71 -0.17 -0.12 -0.69 0.23 0.00 0.00 176.35 176.32 1ics s VAL 327 N -1.71 1.34 -0.07 -1.59 1.01 -0.80 -1.89 120.40 116.70 1ics s VAL 327 Ca -0.01 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1ics s VAL 327 Cb -0.07 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1ics s VAL 327 CO 0.01 0.42 0.27 0.00 0.00 0.00 0.00 175.10 175.80 1ics s ALA 328 N 1.44 3.78 -0.07 5.51 0.00 -0.21 -0.35 121.76 131.86 1ics s ALA 328 Ca 0.02 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1ics s ALA 328 Cb -0.13 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1ics s ALA 328 CO -0.08 0.52 -0.23 0.71 0.00 0.00 0.00 175.76 176.68 1ics s TYR 329 N -0.93 2.32 0.00 0.00 2.02 0.93 -4.39 117.35 117.30 1ics s TYR 329 Ca 0.19 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 1ics s TYR 329 Cb -0.14 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1ics s TYR 329 CO 0.08 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 1ics n GLY 330 N 3.14 0.01 0.31 0.71 0.00 -1.26 -0.86 105.19 107.24 1ics n GLY 330 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1ics n GLY 330 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ics h ARG 331 N 0.00 0.09 0.00 1.61 3.08 -1.97 0.33 114.38 117.52 1ics h ARG 331 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1ics h ARG 331 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ics h ARG 331 CO 0.00 0.06 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.72 1ics h LEU 332 N 0.10 0.00 0.00 3.04 3.38 -1.94 -1.60 115.31 118.29 1ics h LEU 332 Ca 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.47 1ics h LEU 332 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ics h LEU 332 CO -0.76 0.18 -0.18 0.15 0.09 0.00 0.00 178.44 177.92 1ics h PHE 333 N 0.00 0.00 -0.22 1.13 3.04 -0.60 -1.40 116.94 118.90 1ics h PHE 333 Ca -0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1ics h PHE 333 Cb 0.43 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.93 1ics h PHE 333 CO 0.00 0.10 -0.15 0.82 -2.02 0.00 0.00 178.31 177.06 1ics h ILE 334 N 0.00 1.31 -0.00 1.41 2.04 -0.63 -3.22 117.51 118.42 1ics h ILE 334 Ca -0.00 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1ics h ILE 334 Cb 1.08 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1ics h ILE 334 CO 0.01 0.38 -0.32 -1.54 0.00 0.00 0.00 178.15 176.69 1ics n SER 335 N -4.49 0.77 -3.72 1.72 3.41 -1.12 -4.63 113.62 105.56 1ics n SER 335 Ca -0.05 -0.61 -0.29 0.00 -0.26 0.00 0.00 58.87 57.66 1ics n SER 335 Cb 0.36 0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1ics n SER 335 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ics s ASN 336 N -2.68 3.66 0.36 4.04 -0.87 -0.53 -4.55 114.94 114.38 1ics s ASN 336 Ca 0.20 -2.71 0.13 0.00 -1.57 0.00 0.00 52.86 48.92 1ics s ASN 336 Cb 0.19 -1.07 0.95 0.00 -0.02 0.00 0.00 41.25 41.30 1ics s ASN 336 CO 0.57 -0.26 1.79 -0.65 -2.57 0.00 0.00 177.10 175.99 1ics h PRO 337 N 6.63 0.53 -1.73 -0.60 0.11 -1.80 -1.66 132.00 133.49 1ics h PRO 337 Ca 0.00 -0.03 -0.72 0.00 0.11 0.00 0.00 66.00 65.36 1ics h PRO 337 Cb 0.92 -0.12 -0.30 0.00 0.11 0.00 0.00 31.00 31.61 1ics h PRO 337 CO 0.50 0.35 0.71 -0.40 -0.21 0.00 0.00 178.00 178.95 1ics n ASP 338 N -4.67 7.06 -0.37 -2.05 5.75 -1.26 -4.00 116.55 117.02 1ics n ASP 338 Ca 0.23 -3.81 -0.01 0.00 -0.01 0.00 0.00 54.79 51.20 1ics n ASP 338 Cb 0.72 -0.94 0.13 0.00 -1.03 0.00 0.00 41.12 40.00 1ics n ASP 338 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1ics h LEU 339 N 2.76 1.11 -0.71 -2.12 6.46 -1.63 -0.89 115.31 120.29 1ics h LEU 339 Ca 0.53 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.27 1ics h LEU 339 Cb 0.33 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 1ics h LEU 339 CO 1.36 0.78 0.46 -0.65 -0.62 0.00 0.00 178.44 179.77 1ics h PRO 340 N 1.30 0.94 -0.43 5.25 0.11 -1.88 -0.16 132.00 137.14 1ics h PRO 340 Ca 0.38 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.30 1ics h PRO 340 Cb -0.08 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.81 1ics h PRO 340 CO -0.10 0.64 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.89 1ics h LYS 341 N 0.97 0.91 -0.69 1.05 1.63 -1.84 -2.07 116.57 116.52 1ics h LYS 341 Ca 0.26 -0.40 -0.07 0.00 -0.85 0.00 0.00 60.65 59.59 1ics h LYS 341 Cb -0.09 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1ics h LYS 341 CO -0.05 1.06 0.15 0.00 -3.45 0.00 0.00 179.45 177.16 1ics h ARG 342 N 0.73 1.12 -0.43 1.90 3.08 -0.85 -2.11 114.38 117.82 1ics h ARG 342 Ca 0.09 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1ics h ARG 342 Cb 0.79 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1ics h ARG 342 CO 0.07 0.99 0.16 0.74 -1.07 0.00 0.00 179.97 180.86 1ics h PHE 343 N 1.06 0.67 -0.92 3.04 0.04 -0.96 0.18 116.94 120.05 1ics h PHE 343 Ca 0.22 -0.06 0.08 0.00 2.80 0.00 0.00 57.97 61.01 1ics h PHE 343 Cb 0.39 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 1ics h PHE 343 CO 0.03 0.59 0.57 1.49 -0.60 0.00 0.00 178.31 180.39 1ics h GLU 344 N 0.55 0.97 -0.06 1.51 4.81 -1.08 -0.90 114.58 120.39 1ics h GLU 344 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ics h GLU 344 Cb 0.22 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ics h GLU 344 CO -0.01 0.65 0.00 1.28 -0.73 0.00 0.00 179.01 180.20 1ics n LEU 345 N -4.61 1.80 -3.88 1.64 4.77 -0.82 -4.88 117.00 111.02 1ics n LEU 345 Ca 0.15 -0.64 -0.28 0.00 -0.03 0.00 0.00 56.01 55.21 1ics n LEU 345 Cb 0.23 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1ics n LEU 345 CO 0.30 0.32 0.03 -3.20 -1.33 0.00 0.00 177.39 173.50 1ics n ASN 346 N 0.40 -3.36 -4.89 -1.43 5.15 0.08 -4.95 115.26 106.27 1ics n ASN 346 Ca 0.18 -0.82 -0.29 0.00 -0.60 0.00 0.00 54.58 53.04 1ics n ASN 346 Cb 0.39 -3.80 -0.02 0.00 -0.53 0.00 0.00 39.78 35.82 1ics n ASN 346 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ics s ALA 347 N -3.45 3.38 0.88 5.20 0.00 0.42 -5.02 121.76 123.16 1ics s ALA 347 Ca 0.43 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 1ics s ALA 347 Cb -0.22 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.33 1ics s ALA 347 CO 0.84 -0.11 0.90 -2.30 0.00 0.00 0.00 175.76 175.09 1ics n PRO 348 N -1.58 -0.16 -5.18 0.00 -0.02 -1.26 -4.77 135.00 122.02 1ics n PRO 348 Ca 0.02 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 1ics n PRO 348 Cb 0.54 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 1ics n PRO 348 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ics s LEU 349 N -4.24 2.04 0.50 2.45 1.43 -1.26 -5.01 118.68 114.60 1ics s LEU 349 Ca 0.66 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 1ics s LEU 349 Cb -0.25 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 1ics s LEU 349 CO 0.59 0.27 1.31 0.20 0.23 0.00 0.00 176.35 178.95 1ics s ASN 350 N -0.43 5.65 0.34 2.29 0.01 -1.26 -4.98 114.94 116.56 1ics s ASN 350 Ca 0.05 2.65 -0.14 0.00 -0.71 0.00 0.00 52.86 54.71 1ics s ASN 350 Cb -0.10 -2.63 -0.09 0.00 0.41 0.00 0.00 41.25 38.84 1ics s ASN 350 CO 0.00 -1.30 0.74 -0.54 -1.51 0.00 0.00 177.10 174.49 1ics s LYS 351 N -2.75 3.96 0.04 -0.60 -0.14 -1.26 -4.75 119.74 114.23 1ics s LYS 351 Ca 0.67 0.63 -0.04 0.00 -1.36 0.00 0.00 55.97 55.87 1ics s LYS 351 Cb -0.37 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 1ics s LYS 351 CO 0.45 0.13 0.27 1.52 -0.76 0.00 0.00 175.35 176.95 1ics s TYR 352 N -2.05 3.54 -0.60 3.18 -0.85 -1.26 -4.83 117.35 114.48 1ics s TYR 352 Ca 0.54 0.48 -0.09 0.00 -0.52 0.00 0.00 57.07 57.48 1ics s TYR 352 Cb -0.10 -1.93 0.15 0.00 0.38 0.00 0.00 41.96 40.46 1ics s TYR 352 CO 0.20 0.58 0.47 1.21 -1.52 0.00 0.00 175.55 176.49 1ics s ASN 353 N -2.02 5.85 0.54 -0.18 3.04 -1.26 -4.95 114.94 115.97 1ics s ASN 353 Ca 0.31 -2.33 0.25 0.00 0.04 0.00 0.00 52.86 51.13 1ics s ASN 353 Cb -0.13 -2.03 1.42 0.00 -1.54 0.00 0.00 41.25 38.98 1ics s ASN 353 CO 0.20 -0.59 2.03 0.08 -3.04 0.00 0.00 177.10 175.78 1ics h ARG 354 N 7.95 0.00 0.00 0.43 0.11 -2.01 -1.95 114.38 118.92 1ics h ARG 354 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1ics h ARG 354 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1ics h ARG 354 CO 0.81 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 180.44 1ics h ASP 355 N 0.00 0.00 -0.19 0.08 3.32 -1.94 -1.38 116.42 116.31 1ics h ASP 355 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ics h ASP 355 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1ics h ASP 355 CO -0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 1ics n THR 356 N -2.76 1.82 -0.07 0.35 -2.24 -0.73 -4.57 114.28 106.07 1ics n THR 356 Ca -0.01 -1.72 -0.11 0.00 -2.27 0.00 0.00 64.05 59.94 1ics n THR 356 Cb 0.12 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1ics n THR 356 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ics h PHE 357 N 1.24 0.41 -0.30 4.78 0.04 -1.30 -3.31 116.94 118.49 1ics h PHE 357 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ics h PHE 357 Cb 1.11 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1ics h PHE 357 CO 0.28 0.54 0.00 0.66 -0.60 0.00 0.00 178.31 179.19 1ics n TYR 358 N -4.69 0.88 -2.29 -0.55 4.01 -1.26 -4.57 117.16 108.70 1ics n TYR 358 Ca -0.04 -0.77 -0.26 0.00 -0.16 0.00 0.00 57.90 56.67 1ics n TYR 358 Cb 0.21 -0.25 0.05 0.00 -0.31 0.00 0.00 39.34 39.05 1ics n TYR 358 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1ics s THR 359 N -2.35 2.87 -1.27 -0.72 -4.23 -1.25 -4.81 115.64 103.87 1ics s THR 359 Ca 0.38 -0.16 0.18 0.00 -1.18 0.00 0.00 61.69 60.91 1ics s THR 359 Cb 0.29 -3.19 0.60 0.00 1.34 0.00 0.00 72.50 71.54 1ics s THR 359 CO 0.11 -0.20 1.51 -1.54 -0.54 0.00 0.00 174.62 173.96 1ics n SER 360 N -2.77 4.08 -4.76 3.99 3.41 -1.26 -4.65 113.62 111.66 1ics n SER 360 Ca 0.07 -2.26 -0.41 0.00 -0.26 0.00 0.00 58.87 56.01 1ics n SER 360 Cb 0.59 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1ics n SER 360 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ics s ASP 361 N -1.04 6.97 0.00 4.04 2.15 -1.26 -4.89 116.67 122.64 1ics s ASP 361 Ca 0.44 2.51 0.17 0.00 0.43 0.00 0.00 52.55 56.10 1ics s ASP 361 Cb 0.27 -2.64 0.75 0.00 -0.30 0.00 0.00 42.92 41.00 1ics s ASP 361 CO 0.24 -0.38 1.55 -0.81 -0.17 0.00 0.00 175.17 175.60 1ics n PRO 362 N 1.07 0.02 0.03 4.34 -0.04 -1.26 -4.32 135.00 134.84 1ics n PRO 362 Ca -0.00 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1ics n PRO 362 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1ics n PRO 362 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ics n ILE 363 N -1.49 0.25 -1.78 0.52 5.41 -1.26 -4.60 119.36 116.41 1ics n ILE 363 Ca 0.04 0.08 -0.42 0.00 1.00 0.00 0.00 62.75 63.46 1ics n ILE 363 Cb 0.20 -1.14 -0.03 0.00 -0.71 0.00 0.00 39.64 37.96 1ics n ILE 363 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ics s VAL 364 N -2.00 3.11 0.00 1.39 1.01 -1.26 -1.07 120.40 121.57 1ics s VAL 364 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1ics s VAL 364 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1ics s VAL 364 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1ics n GLY 365 N 4.35 0.63 1.03 4.51 0.00 -1.26 -4.66 105.19 109.80 1ics n GLY 365 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ics n GLY 365 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ics n TYR 366 N -2.45 -0.00 -0.02 1.61 9.36 -0.63 -4.77 117.16 120.26 1ics n TYR 366 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ics n TYR 366 Cb 0.04 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.75 1ics n TYR 366 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1ics n THR 367 N -3.32 0.18 1.60 2.97 -2.24 -0.23 -4.72 114.28 108.51 1ics n THR 367 Ca 0.00 -0.58 0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1ics n THR 367 Cb 0.18 0.92 0.55 0.00 -2.10 0.00 0.00 70.33 69.88 1ics n THR 367 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ics n ASP 368 N -0.09 0.98 -4.68 3.42 5.75 -1.12 -4.82 116.55 115.99 1ics n ASP 368 Ca 0.00 -1.47 -0.43 0.00 -0.01 0.00 0.00 54.79 52.88 1ics n ASP 368 Cb 0.05 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1ics n ASP 368 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1ics s TYR 369 N -1.93 3.08 0.66 2.11 2.02 -1.26 -4.99 117.35 117.04 1ics s TYR 369 Ca 0.35 1.17 -0.16 0.00 -0.37 0.00 0.00 57.07 58.06 1ics s TYR 369 Cb 0.18 -3.44 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 1ics s TYR 369 CO 0.29 -1.37 1.17 -1.25 -1.57 0.00 0.00 175.55 172.82 1ics s PRO 370 N 2.74 2.64 0.64 -1.71 0.04 -1.26 -4.62 135.00 133.47 1ics s PRO 370 Ca 0.54 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 1ics s PRO 370 Cb -0.23 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1ics s PRO 370 CO 0.18 -1.43 0.90 -0.06 0.04 0.00 0.00 177.00 176.64 1ics s PHE 371 N -1.97 2.40 -1.85 0.56 0.40 -1.26 -4.53 117.98 111.73 1ics s PHE 371 Ca 0.73 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1ics s PHE 371 Cb -0.26 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.33 1ics s PHE 371 CO 0.40 -1.29 0.46 1.28 0.70 0.00 0.00 175.22 176.77