#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igc s VAL 2 N 0.00 4.28 -0.03 2.53 1.01 -1.25 -3.54 120.40 123.40 1igc s VAL 2 Ca 0.00 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.50 1igc s VAL 2 Cb 0.00 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1igc s VAL 2 CO 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 175.10 174.54 1igc s GLN 3 N 3.88 1.49 -0.08 2.72 -2.07 -0.97 -5.02 119.66 119.60 1igc s GLN 3 Ca 0.53 -0.55 0.01 0.00 -1.82 0.00 0.00 55.36 53.53 1igc s GLN 3 Cb -0.16 -1.35 0.02 0.00 -1.09 0.00 0.00 33.01 30.42 1igc s GLN 3 CO 0.19 0.26 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.81 1igc s LEU 4 N -0.09 1.47 -0.08 2.60 1.02 -1.26 -1.80 118.68 120.53 1igc s LEU 4 Ca 0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.82 1igc s LEU 4 Cb -0.09 -0.82 0.05 0.00 0.02 0.00 0.00 46.19 45.35 1igc s LEU 4 CO 0.01 -0.03 0.17 0.68 0.02 0.00 0.00 176.35 177.20 1igc s VAL 5 N 1.06 -0.19 0.20 -1.59 -7.23 -0.94 -3.99 120.40 107.71 1igc s VAL 5 Ca -0.07 0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1igc s VAL 5 Cb -0.15 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1igc s VAL 5 CO -0.01 0.12 0.39 -1.83 -0.31 0.00 0.00 175.10 173.46 1igc s GLU 6 N 1.88 3.53 0.31 4.82 1.03 -1.25 -0.41 118.70 128.60 1igc s GLU 6 Ca -0.02 -0.32 0.04 0.00 0.03 0.00 0.00 54.97 54.70 1igc s GLU 6 Cb -0.12 -2.84 -0.03 0.00 -0.80 0.00 0.00 34.13 30.35 1igc s GLU 6 CO -0.06 0.40 0.30 -1.54 -1.33 0.00 0.00 175.26 173.03 1igc s SER 7 N -3.10 1.27 0.00 0.83 1.04 -0.83 -4.67 113.70 108.24 1igc s SER 7 Ca 0.39 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1igc s SER 7 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1igc s SER 7 CO 0.29 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1igc n GLY 8 N -0.55 0.42 3.68 7.32 0.00 -1.26 -1.54 105.19 113.26 1igc n GLY 8 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1igc n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1igc s GLY 9 N -1.61 1.59 0.00 -0.02 0.00 -1.26 -4.59 107.32 101.43 1igc s GLY 9 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1igc s GLY 9 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.75 1igc n GLY 10 N -1.43 0.03 3.84 0.20 0.00 -1.06 -4.84 105.19 101.93 1igc n GLY 10 Ca 0.09 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1igc n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1igc s LEU 11 N 0.00 4.40 0.05 0.99 2.96 -1.26 -1.50 118.68 124.32 1igc s LEU 11 Ca 0.00 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 1igc s LEU 11 Cb 0.00 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.60 1igc s LEU 11 CO 0.00 0.18 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.46 1igc s VAL 12 N -1.32 0.45 0.22 1.68 1.01 0.13 -4.95 120.40 117.62 1igc s VAL 12 Ca 0.33 -1.23 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1igc s VAL 12 Cb -0.16 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.37 1igc s VAL 12 CO 0.18 -0.52 0.76 -1.58 0.00 0.00 0.00 175.10 173.94 1igc s GLN 13 N -2.06 4.37 0.48 2.72 2.00 -1.25 0.16 119.66 126.08 1igc s GLN 13 Ca -0.07 1.00 -0.24 0.00 -2.00 0.00 0.00 55.36 54.05 1igc s GLN 13 Cb -0.06 -2.96 -0.08 0.00 0.80 0.00 0.00 33.01 30.70 1igc s GLN 13 CO -0.01 0.42 1.24 -2.30 -0.50 0.00 0.00 175.29 174.14 1igc n PRO 14 N 0.92 1.71 0.00 1.67 -0.02 -1.26 -0.82 135.00 137.20 1igc n PRO 14 Ca -0.03 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1igc n PRO 14 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1igc n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1igc n GLY 15 N 0.88 3.21 0.00 -1.23 0.00 0.57 -4.95 105.19 103.66 1igc n GLY 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1igc n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igc n GLY 16 N -1.97 -3.52 3.57 -0.02 0.00 -0.00 -4.25 105.19 99.00 1igc n GLY 16 Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1igc n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1igc s SER 17 N -2.00 -0.71 0.05 1.61 1.04 -1.26 -1.96 113.70 110.47 1igc s SER 17 Ca 0.00 1.34 -0.01 0.00 0.48 0.00 0.00 55.95 57.76 1igc s SER 17 Cb 0.00 1.34 -0.04 0.00 0.10 0.00 0.00 66.02 67.42 1igc s SER 17 CO 0.00 -0.23 -0.03 -0.60 0.98 0.00 0.00 173.24 173.36 1igc s ARG 18 N 0.51 0.61 -0.20 4.02 6.06 -1.15 -5.02 118.95 123.79 1igc s ARG 18 Ca -0.01 -1.19 -0.02 0.00 -2.50 0.00 0.00 55.73 52.00 1igc s ARG 18 Cb -0.05 0.17 0.06 0.00 0.06 0.00 0.00 34.95 35.19 1igc s ARG 18 CO -0.02 -0.10 0.03 0.21 -2.50 0.00 0.00 175.30 172.93 1igc s LYS 19 N -3.74 0.73 0.54 5.12 2.20 -1.26 -1.19 119.74 122.13 1igc s LYS 19 Ca 0.06 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.10 1igc s LYS 19 Cb 0.07 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.21 1igc s LYS 19 CO -0.09 -0.66 0.87 -0.51 -0.36 0.00 0.00 175.35 174.61 1igc s LEU 20 N 1.81 3.45 0.11 5.43 1.43 -0.70 -4.52 118.68 125.69 1igc s LEU 20 Ca -0.01 1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 1igc s LEU 20 Cb -0.17 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.08 1igc s LEU 20 CO -0.09 -0.75 0.19 -0.55 0.23 0.00 0.00 176.35 175.39 1igc s SER 21 N -4.16 0.14 -0.18 2.29 0.15 -0.59 -2.30 113.70 109.05 1igc s SER 21 Ca 0.51 -0.78 -0.05 0.00 0.70 0.00 0.00 55.95 56.32 1igc s SER 21 Cb -0.11 0.35 0.09 0.00 -1.71 0.00 0.00 66.02 64.65 1igc s SER 21 CO 0.47 -0.77 0.34 0.00 1.20 0.00 0.00 173.24 174.49 1igc s ALA 23 N 2.51 3.46 0.01 0.00 0.00 0.45 -1.06 121.76 127.13 1igc s ALA 23 Ca 0.02 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 1igc s ALA 23 Cb -0.13 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1igc s ALA 23 CO -0.12 -1.30 0.52 0.00 0.00 0.00 0.00 175.76 174.86 1igc s ALA 24 N 2.51 3.58 0.14 0.00 0.00 -1.08 -2.22 121.76 124.70 1igc s ALA 24 Ca 0.21 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1igc s ALA 24 Cb -0.15 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1igc s ALA 24 CO 0.14 0.31 0.32 -1.54 0.00 0.00 0.00 175.76 174.99 1igc s SER 25 N -0.65 -0.03 -0.77 0.00 1.04 -0.75 -4.86 113.70 107.68 1igc s SER 25 Ca 0.27 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1igc s SER 25 Cb -0.18 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1igc s SER 25 CO 0.16 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1igc n GLY 26 N -0.20 0.87 3.34 7.32 0.00 -1.23 -2.29 105.19 113.00 1igc n GLY 26 Ca -0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1igc n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1igc s PHE 27 N -2.03 -0.20 -1.25 1.61 -0.71 -1.26 -3.20 117.98 110.94 1igc s PHE 27 Ca 0.00 -0.11 -0.19 0.00 -1.04 0.00 0.00 56.93 55.59 1igc s PHE 27 Cb 0.00 0.28 0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1igc s PHE 27 CO 0.00 -0.73 1.75 0.99 -1.34 0.00 0.00 175.22 175.89 1igc s THR 28 N -3.81 4.00 0.00 -4.49 2.01 -1.26 -4.89 115.64 107.19 1igc s THR 28 Ca 0.04 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.41 1igc s THR 28 Cb 0.01 -5.07 0.00 0.00 0.01 0.00 0.00 72.50 67.46 1igc s THR 28 CO -0.11 -1.83 0.00 0.33 -0.69 0.00 0.00 174.62 172.32 1igc n PHE 29 N 9.52 0.00 0.00 4.92 7.35 -1.26 -1.14 117.46 136.85 1igc n PHE 29 Ca 0.47 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1igc n PHE 29 Cb 0.47 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.30 1igc n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1igc n SER 30 N -0.61 0.00 -0.18 -2.13 3.41 -1.26 -2.60 113.62 110.25 1igc n SER 30 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1igc n SER 30 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1igc n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1igc n SER 31 N -0.26 1.23 -4.45 4.04 7.64 -0.29 -4.81 113.62 116.72 1igc n SER 31 Ca 0.00 -1.12 -0.32 0.00 1.01 0.00 0.00 58.87 58.45 1igc n SER 31 Cb 0.00 0.77 -0.13 0.00 -1.01 0.00 0.00 64.21 63.84 1igc n SER 31 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1igc s PHE 32 N -2.41 2.60 0.36 1.43 0.08 -1.07 -4.90 117.98 114.06 1igc s PHE 32 Ca 0.10 -0.23 -0.23 0.00 0.12 0.00 0.00 56.93 56.69 1igc s PHE 32 Cb 0.14 -1.54 -0.10 0.00 -0.57 0.00 0.00 43.02 40.95 1igc s PHE 32 CO 0.61 0.20 0.92 0.20 -0.10 0.00 0.00 175.22 177.05 1igc s GLY 33 N -1.06 2.59 0.23 4.36 0.00 -1.26 -4.27 107.32 107.91 1igc s GLY 33 Ca 0.13 0.43 0.11 0.00 0.00 0.00 0.00 44.72 45.39 1igc s GLY 33 CO 0.03 0.79 -0.21 1.06 0.00 0.00 0.00 173.10 174.77 1igc s MET 34 N -2.57 1.54 0.09 2.90 1.00 -1.01 -1.35 119.30 119.90 1igc s MET 34 Ca 0.55 -1.63 0.03 0.00 0.00 0.00 0.00 55.69 54.64 1igc s MET 34 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 34.83 32.98 1igc s MET 34 CO 0.19 0.33 -0.08 -1.01 0.00 0.00 0.00 175.02 174.45 1igc s HIS 35 N -2.23 0.92 -0.06 -0.03 3.76 -0.25 -2.00 115.29 115.40 1igc s HIS 35 Ca 0.25 -0.73 0.05 0.00 -0.15 0.00 0.00 55.06 54.47 1igc s HIS 35 Cb -0.06 -0.52 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 1igc s HIS 35 CO 0.12 -0.07 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.16 1igc s TRP 36 N -2.73 2.58 -0.12 1.40 0.52 -0.20 -1.28 118.94 119.11 1igc s TRP 36 Ca 0.05 -0.43 -0.05 0.00 0.02 0.00 0.00 56.10 55.70 1igc s TRP 36 Cb -0.01 -1.63 0.06 0.00 -1.15 0.00 0.00 33.47 30.74 1igc s TRP 36 CO -0.02 -0.02 0.25 0.08 0.02 0.00 0.00 176.95 177.26 1igc s VAL 37 N -0.41 -0.33 0.33 4.03 1.01 0.17 -2.03 120.40 123.18 1igc s VAL 37 Ca 0.04 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.37 1igc s VAL 37 Cb -0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1igc s VAL 37 CO 0.02 0.11 0.12 0.00 0.00 0.00 0.00 175.10 175.34 1igc s ARG 38 N 2.19 2.35 -0.06 2.72 1.04 0.01 -0.22 118.95 126.98 1igc s ARG 38 Ca -0.01 -1.54 -0.02 0.00 -1.04 0.00 0.00 55.73 53.12 1igc s ARG 38 Cb -0.12 -2.16 0.04 0.00 -2.04 0.00 0.00 34.95 30.67 1igc s ARG 38 CO -0.08 0.15 0.10 -1.14 -0.04 0.00 0.00 175.30 174.29 1igc s GLN 39 N -3.81 -0.01 0.61 3.89 0.74 0.15 -1.25 119.66 119.98 1igc s GLN 39 Ca 0.37 0.41 -0.04 0.00 0.05 0.00 0.00 55.36 56.14 1igc s GLN 39 Cb -0.03 -0.34 0.03 0.00 1.10 0.00 0.00 33.01 33.78 1igc s GLN 39 CO 0.22 -0.27 0.90 0.00 -0.55 0.00 0.00 175.29 175.59 1igc s ALA 40 N 1.87 3.41 0.49 1.58 0.00 -1.26 -1.13 121.76 126.72 1igc s ALA 40 Ca -0.00 -0.95 0.28 0.00 0.00 0.00 0.00 51.96 51.29 1igc s ALA 40 Cb -0.12 -2.45 1.54 0.00 0.00 0.00 0.00 23.12 22.09 1igc s ALA 40 CO -0.04 -0.95 1.85 -1.35 0.00 0.00 0.00 175.76 175.27 1igc h PRO 41 N -0.24 0.00 -2.02 0.00 0.11 -1.98 -3.23 132.00 124.63 1igc h PRO 41 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1igc h PRO 41 Cb 1.29 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.15 1igc h PRO 41 CO 0.58 0.00 -0.31 -2.00 -0.21 0.00 0.00 178.00 176.06 1igc s GLU 42 N -3.93 0.43 0.00 1.05 2.56 -1.26 -5.07 118.70 112.48 1igc s GLU 42 Ca -0.03 1.05 0.00 0.00 0.00 0.00 0.00 54.97 55.99 1igc s GLU 42 Cb 0.08 0.36 0.00 0.00 2.00 0.00 0.00 34.13 36.57 1igc s GLU 42 CO 0.26 -0.37 0.00 1.17 -0.56 0.00 0.00 175.26 175.76 1igc n LYS 43 N 5.41 0.00 -4.32 4.30 4.81 -1.22 -5.10 118.16 122.03 1igc n LYS 43 Ca -0.07 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.10 1igc n LYS 43 Cb 0.50 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.47 1igc n LYS 43 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1igc s GLY 44 N 0.00 2.47 0.57 3.14 0.00 -1.26 -4.71 107.32 107.52 1igc s GLY 44 Ca 0.00 -1.92 -0.19 0.00 0.00 0.00 0.00 44.72 42.61 1igc s GLY 44 CO 0.00 -2.00 0.94 1.04 0.00 0.00 0.00 173.10 173.08 1igc n LEU 45 N -1.20 3.28 -3.76 0.66 4.77 -1.26 -4.47 117.00 115.02 1igc n LEU 45 Ca -0.04 0.84 -0.22 0.00 -0.03 0.00 0.00 56.01 56.56 1igc n LEU 45 Cb 0.66 -1.37 -0.17 0.00 -2.33 0.00 0.00 43.42 40.20 1igc n LEU 45 CO 0.45 -1.88 -0.38 -0.70 -1.33 0.00 0.00 177.39 173.56 1igc s GLU 46 N -2.57 0.49 0.32 3.23 2.12 -0.38 -5.02 118.70 116.89 1igc s GLU 46 Ca 0.73 0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.93 1igc s GLU 46 Cb -0.44 -0.86 -0.09 0.00 0.26 0.00 0.00 34.13 33.00 1igc s GLU 46 CO 0.49 -0.29 0.99 -0.46 -0.54 0.00 0.00 175.26 175.46 1igc s TRP 47 N 1.89 3.64 -0.08 5.30 -0.00 -1.26 -0.81 118.94 127.61 1igc s TRP 47 Ca 0.03 1.76 -0.01 0.00 -0.00 0.00 0.00 56.10 57.89 1igc s TRP 47 Cb -0.12 -3.03 -0.05 0.00 -0.00 0.00 0.00 33.47 30.26 1igc s TRP 47 CO -0.04 -0.04 -0.08 0.28 -0.00 0.00 0.00 176.95 177.06 1igc n VAL 48 N 0.68 0.48 -3.48 5.86 0.31 -0.86 -4.65 118.33 116.67 1igc n VAL 48 Ca 0.01 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 1igc n VAL 48 Cb 0.49 -1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 32.37 1igc n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1igc s ALA 49 N -2.16 -1.76 0.01 3.52 0.00 -1.23 -2.84 121.76 117.29 1igc s ALA 49 Ca -0.11 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1igc s ALA 49 Cb 0.03 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1igc s ALA 49 CO 0.18 -0.70 -0.04 -0.47 0.00 0.00 0.00 175.76 174.73 1igc s TYR 50 N -3.23 0.38 -0.05 0.00 5.04 -0.18 -1.03 117.35 118.29 1igc s TYR 50 Ca 0.03 -0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.46 1igc s TYR 50 Cb -0.01 -0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.08 1igc s TYR 50 CO -0.10 -0.04 0.00 0.42 -1.34 0.00 0.00 175.55 174.50 1igc s ILE 51 N -0.48 0.24 0.98 3.14 1.01 -0.85 -1.56 121.20 123.69 1igc s ILE 51 Ca -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1igc s ILE 51 Cb -0.04 -0.38 0.18 0.00 0.01 0.00 0.00 42.46 42.23 1igc s ILE 51 CO -0.00 0.20 1.08 -0.94 0.00 0.00 0.00 174.94 175.28 1igc s SER 52 N 1.49 2.63 0.35 3.58 1.04 0.64 -2.41 113.70 121.03 1igc s SER 52 Ca -0.03 1.52 0.17 0.00 0.48 0.00 0.00 55.95 58.09 1igc s SER 52 Cb -0.13 -2.19 1.16 0.00 0.10 0.00 0.00 66.02 64.96 1igc s SER 52 CO -0.03 -3.17 1.64 0.28 0.98 0.00 0.00 173.24 172.95 1igc h SER 53 N -1.92 0.47 -0.25 7.02 0.02 -1.88 -1.97 113.55 115.04 1igc h SER 53 Ca -0.53 0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1igc h SER 53 Cb 1.30 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 1igc h SER 53 CO 0.53 -0.20 -0.03 0.61 -1.14 0.00 0.00 176.83 176.60 1igc n GLY 54 N -1.29 4.42 3.43 -3.77 0.00 -1.26 -4.83 105.19 101.89 1igc n GLY 54 Ca 0.33 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1igc n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1igc n SER 55 N -0.83 -1.05 -0.11 1.61 7.64 -0.74 -4.84 113.62 115.31 1igc n SER 55 Ca 0.24 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.01 1igc n SER 55 Cb 0.90 -1.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 1igc n SER 55 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1igc h SER 56 N 0.00 0.57 -3.22 6.43 0.02 -1.93 -3.43 113.55 112.00 1igc h SER 56 Ca 0.00 -0.32 -0.67 0.00 -0.84 0.00 0.00 61.79 59.95 1igc h SER 56 Cb 0.14 -0.15 -0.33 0.00 0.14 0.00 0.00 62.40 62.19 1igc h SER 56 CO 0.00 0.76 -0.86 -0.89 -1.14 0.00 0.00 176.83 174.70 1igc s THR 57 N -4.93 2.15 0.09 -2.27 2.01 -1.26 -4.98 115.64 106.46 1igc s THR 57 Ca -0.13 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.00 1igc s THR 57 Cb 0.09 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1igc s THR 57 CO 0.77 0.54 -0.20 -0.76 -0.69 0.00 0.00 174.62 174.29 1igc s LEU 58 N 0.80 2.29 -0.01 4.42 1.02 -1.26 0.23 118.68 126.17 1igc s LEU 58 Ca -0.07 -0.66 -0.04 0.00 0.02 0.00 0.00 54.13 53.38 1igc s LEU 58 Cb -0.16 -0.83 -0.00 0.00 0.02 0.00 0.00 46.19 45.22 1igc s LEU 58 CO -0.01 0.04 0.08 -1.00 0.02 0.00 0.00 176.35 175.47 1igc s HIS 59 N -1.16 0.05 0.05 0.29 3.76 -0.60 -4.99 115.29 112.70 1igc s HIS 59 Ca 0.05 -0.10 0.08 0.00 -0.15 0.00 0.00 55.06 54.94 1igc s HIS 59 Cb -0.10 -0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.51 1igc s HIS 59 CO 0.04 -0.17 -0.21 0.71 -0.85 0.00 0.00 174.74 174.26 1igc s TYR 60 N -0.87 1.83 0.32 1.40 2.02 -1.26 -1.01 117.35 119.78 1igc s TYR 60 Ca -0.10 -0.38 -0.22 0.00 -0.37 0.00 0.00 57.07 56.00 1igc s TYR 60 Cb -0.06 -1.07 -0.10 0.00 -0.40 0.00 0.00 41.96 40.33 1igc s TYR 60 CO 0.00 0.11 0.87 0.00 -1.57 0.00 0.00 175.55 174.97 1igc s ALA 61 N -0.87 3.24 0.31 3.71 0.00 -1.13 -4.98 121.76 122.05 1igc s ALA 61 Ca 0.07 0.36 0.09 0.00 0.00 0.00 0.00 51.96 52.48 1igc s ALA 61 Cb -0.09 -3.04 0.85 0.00 0.00 0.00 0.00 23.12 20.83 1igc s ALA 61 CO 0.02 0.22 1.74 -0.44 0.00 0.00 0.00 175.76 177.30 1igc h ASP 62 N 2.91 0.69 -0.47 0.00 5.19 -1.93 -2.97 116.42 119.83 1igc h ASP 62 Ca -0.48 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1igc h ASP 62 Cb 1.19 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 1igc h ASP 62 CO 0.64 0.14 0.27 0.00 -3.12 0.00 0.00 179.24 177.17 1igc h THR 63 N 0.61 1.16 -0.14 0.35 1.03 -1.97 -3.31 112.91 110.64 1igc h THR 63 Ca 0.63 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 66.64 1igc h THR 63 Cb 1.15 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1igc h THR 63 CO -0.46 0.17 0.00 0.52 -0.01 0.00 0.00 175.52 175.74 1igc n VAL 64 N -4.41 0.46 -3.48 0.00 0.31 -1.13 -5.02 118.33 105.05 1igc n VAL 64 Ca 0.04 -0.73 -0.37 0.00 -0.01 0.00 0.00 64.34 63.27 1igc n VAL 64 Cb 0.10 0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 33.83 1igc n VAL 64 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1igc s LYS 65 N -0.89 4.17 0.00 5.55 -2.85 -1.19 -1.16 119.74 123.37 1igc s LYS 65 Ca 0.15 0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.19 1igc s LYS 65 Cb 0.09 -3.51 0.00 0.00 -2.06 0.00 0.00 37.83 32.35 1igc s LYS 65 CO 0.13 0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.04 1igc n GLY 66 N 3.88 2.26 0.27 0.59 0.00 -1.26 -4.89 105.19 106.04 1igc n GLY 66 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1igc n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1igc n ARG 67 N -0.45 0.35 -4.36 1.61 1.74 -1.24 -5.03 116.66 109.28 1igc n ARG 67 Ca 0.00 0.11 -0.33 0.00 -0.77 0.00 0.00 57.85 56.86 1igc n ARG 67 Cb 0.00 -1.19 -0.09 0.00 -1.02 0.00 0.00 32.46 30.16 1igc n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1igc s PHE 68 N -2.29 3.05 -0.15 -1.55 0.40 -0.31 -1.83 117.98 115.29 1igc s PHE 68 Ca -0.21 0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1igc s PHE 68 Cb 0.07 -1.68 0.04 0.00 0.51 0.00 0.00 43.02 41.95 1igc s PHE 68 CO 0.31 0.44 -0.06 0.99 0.70 0.00 0.00 175.22 177.60 1igc s THR 69 N -1.01 1.09 0.32 0.64 2.01 0.03 -4.78 115.64 113.94 1igc s THR 69 Ca 0.17 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1igc s THR 69 Cb -0.11 -1.23 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 1igc s THR 69 CO 0.08 0.19 0.67 -0.51 -0.69 0.00 0.00 174.62 174.36 1igc s ILE 70 N 1.65 4.83 0.35 1.82 2.07 -1.26 -1.87 121.20 128.78 1igc s ILE 70 Ca 0.02 0.58 -0.08 0.00 -1.41 0.00 0.00 60.65 59.76 1igc s ILE 70 Cb -0.15 -3.67 0.02 0.00 0.13 0.00 0.00 42.46 38.79 1igc s ILE 70 CO -0.08 -0.28 0.57 -0.94 -1.91 0.00 0.00 174.94 172.30 1igc s SER 71 N -2.72 0.53 -0.23 4.50 1.04 -1.20 -4.99 113.70 110.65 1igc s SER 71 Ca 0.50 -1.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.34 1igc s SER 71 Cb -0.11 0.71 0.12 0.00 0.10 0.00 0.00 66.02 66.85 1igc s SER 71 CO 0.25 -1.40 1.01 0.00 0.98 0.00 0.00 173.24 174.08 1igc s ARG 72 N -2.94 0.56 -0.54 4.02 1.70 -1.26 -2.35 118.95 118.13 1igc s ARG 72 Ca 0.25 0.40 0.04 0.00 -0.47 0.00 0.00 55.73 55.95 1igc s ARG 72 Cb -0.02 0.27 0.14 0.00 -0.57 0.00 0.00 34.95 34.77 1igc s ARG 72 CO 0.16 -0.12 0.30 0.34 -1.08 0.00 0.00 175.30 174.91 1igc s ASP 73 N -0.36 4.28 0.12 -2.89 2.15 -0.35 -4.93 116.67 114.68 1igc s ASP 73 Ca 0.01 -3.13 -0.22 0.00 0.43 0.00 0.00 52.55 49.63 1igc s ASP 73 Cb -0.03 -1.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.99 1igc s ASP 73 CO -0.03 -0.21 1.69 0.78 -0.17 0.00 0.00 175.17 177.24 1igc h ASN 74 N 6.30 -0.32 -0.94 -0.34 2.35 -1.94 0.22 115.58 120.90 1igc h ASN 74 Ca -0.02 0.06 0.11 0.00 -0.55 0.00 0.00 56.30 55.90 1igc h ASN 74 Cb 0.87 0.15 -0.13 0.00 0.05 0.00 0.00 38.32 39.26 1igc h ASN 74 CO 0.66 -0.15 -0.51 -0.65 -1.65 0.00 0.00 177.43 175.13 1igc h PRO 75 N -0.15 -0.03 -1.06 0.81 0.11 -1.96 0.30 132.00 130.02 1igc h PRO 75 Ca 0.06 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.52 1igc h PRO 75 Cb 0.24 0.01 -0.32 0.00 0.11 0.00 0.00 31.00 31.04 1igc h PRO 75 CO -0.16 -0.02 0.50 1.63 -0.21 0.00 0.00 178.00 179.74 1igc n LYS 76 N -5.34 2.91 -3.41 1.05 5.02 -1.13 -5.01 118.16 112.25 1igc n LYS 76 Ca 0.04 -3.53 -0.03 0.00 -2.02 0.00 0.00 58.31 52.77 1igc n LYS 76 Cb 0.32 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1igc n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1igc n ASN 77 N -0.83 -0.32 -4.03 4.39 3.02 0.11 -4.91 115.26 112.69 1igc n ASN 77 Ca 0.57 -0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.91 1igc n ASN 77 Cb 0.68 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.62 1igc n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1igc s THR 78 N -4.05 0.42 0.27 3.41 -4.23 -0.33 -2.62 115.64 108.51 1igc s THR 78 Ca 0.03 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.71 1igc s THR 78 Cb -0.01 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 1igc s THR 78 CO 0.07 -0.32 0.26 -0.22 -0.54 0.00 0.00 174.62 173.87 1igc s LEU 79 N -1.31 3.88 0.14 4.79 2.96 -0.22 -1.22 118.68 127.70 1igc s LEU 79 Ca -0.09 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1igc s LEU 79 Cb -0.09 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1igc s LEU 79 CO 0.00 -0.13 0.16 -0.36 -1.32 0.00 0.00 176.35 174.70 1igc s PHE 80 N -2.14 0.58 -0.22 5.38 0.40 -0.99 -1.11 117.98 119.88 1igc s PHE 80 Ca 0.35 -0.96 -0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1igc s PHE 80 Cb -0.08 -0.25 0.11 0.00 0.51 0.00 0.00 43.02 43.31 1igc s PHE 80 CO 0.26 -0.60 0.32 -1.17 0.70 0.00 0.00 175.22 174.73 1igc s LEU 81 N -2.99 -0.43 -0.46 -0.37 2.96 -0.97 -3.24 118.68 113.17 1igc s LEU 81 Ca 0.18 0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 54.02 1igc s LEU 81 Cb 0.05 0.85 0.03 0.00 0.50 0.00 0.00 46.19 47.62 1igc s LEU 81 CO -0.01 -0.30 0.70 -1.10 -1.32 0.00 0.00 176.35 174.32 1igc s GLN 82 N 2.47 3.30 0.03 1.98 -1.52 -0.78 -1.72 119.66 123.41 1igc s GLN 82 Ca 0.09 -0.35 -0.03 0.00 -1.95 0.00 0.00 55.36 53.13 1igc s GLN 82 Cb -0.15 -3.97 -0.04 0.00 -0.22 0.00 0.00 33.01 28.63 1igc s GLN 82 CO -0.14 -1.09 0.23 -1.64 -0.25 0.00 0.00 175.29 172.40 1igc s MET 83 N 3.01 3.49 -0.41 2.91 -1.94 -0.33 -0.79 119.30 125.24 1igc s MET 83 Ca 0.24 -0.27 0.09 0.00 -1.71 0.00 0.00 55.69 54.05 1igc s MET 83 Cb -0.14 -3.04 0.36 0.00 2.01 0.00 0.00 34.83 34.02 1igc s MET 83 CO 0.19 0.62 1.12 0.25 -0.01 0.00 0.00 175.02 177.19 1igc n THR 84 N 0.69 0.08 0.00 2.05 -2.24 -0.76 -2.92 114.28 111.17 1igc n THR 84 Ca -0.08 -2.12 0.00 0.00 -2.27 0.00 0.00 64.05 59.58 1igc n THR 84 Cb 0.52 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 1igc n THR 84 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1igc n SER 85 N 0.01 0.00 -4.37 3.42 7.64 -0.83 -4.89 113.62 114.61 1igc n SER 85 Ca 0.06 0.00 -0.61 0.00 1.01 0.00 0.00 58.87 59.33 1igc n SER 85 Cb 0.75 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.86 1igc n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1igc n LEU 86 N 0.00 0.82 -4.65 -3.43 4.77 -0.84 -4.32 117.00 109.35 1igc n LEU 86 Ca 0.00 1.10 -0.23 0.00 -0.03 0.00 0.00 56.01 56.85 1igc n LEU 86 Cb 0.00 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.18 1igc n LEU 86 CO 0.00 -1.05 -0.31 -0.60 -1.33 0.00 0.00 177.39 174.10 1igc s ARG 87 N 2.04 2.22 0.44 3.23 3.00 -1.26 0.21 118.95 128.83 1igc s ARG 87 Ca 0.94 -1.53 0.16 0.00 -1.00 0.00 0.00 55.73 54.30 1igc s ARG 87 Cb -1.34 -2.09 1.08 0.00 0.00 0.00 0.00 34.95 32.60 1igc s ARG 87 CO 0.70 0.27 1.95 0.77 0.00 0.00 0.00 175.30 178.99 1igc h SER 88 N 1.83 0.34 0.00 -2.12 0.02 -1.92 -1.24 113.55 110.47 1igc h SER 88 Ca -0.44 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1igc h SER 88 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1igc h SER 88 CO 0.62 0.19 0.00 -0.62 -1.14 0.00 0.00 176.83 175.88 1igc n GLU 89 N -4.46 0.74 -0.01 3.45 4.71 -1.26 -2.47 120.64 121.33 1igc n GLU 89 Ca 0.12 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.41 1igc n GLU 89 Cb 0.49 -1.41 0.52 0.00 -1.01 0.00 0.00 31.44 30.03 1igc n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1igc n ASP 90 N -0.91 1.47 -4.60 1.62 8.00 -0.47 -4.84 116.55 116.83 1igc n ASP 90 Ca 0.14 -1.51 -0.43 0.00 0.71 0.00 0.00 54.79 53.70 1igc n ASP 90 Cb 0.07 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1igc n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1igc s THR 91 N -1.97 3.57 0.17 -3.53 2.01 -1.03 -4.91 115.64 109.95 1igc s THR 91 Ca 0.37 0.57 -0.13 0.00 0.31 0.00 0.00 61.69 62.82 1igc s THR 91 Cb 0.20 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.98 1igc s THR 91 CO 0.33 -0.50 0.65 0.61 -0.69 0.00 0.00 174.62 175.01 1igc n GLY 92 N 5.35 0.97 3.55 4.40 0.00 -1.12 -4.67 105.19 113.68 1igc n GLY 92 Ca 0.21 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1igc n GLY 92 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1igc s MET 93 N -2.04 3.80 -0.11 1.61 -2.45 -0.28 -1.01 119.30 118.81 1igc s MET 93 Ca 0.14 -0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 54.12 1igc s MET 93 Cb -0.02 -3.64 -0.04 0.00 1.25 0.00 0.00 34.83 32.39 1igc s MET 93 CO 0.05 -0.24 0.04 0.71 1.05 0.00 0.00 175.02 176.63 1igc s TYR 94 N 1.73 3.26 0.17 4.11 1.51 -0.46 0.33 117.35 127.99 1igc s TYR 94 Ca 0.07 0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.40 1igc s TYR 94 Cb -0.16 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1igc s TYR 94 CO 0.10 0.47 -0.07 0.71 -1.11 0.00 0.00 175.55 175.65 1igc s TYR 95 N -0.71 1.31 -0.10 2.71 1.51 0.69 -0.95 117.35 121.80 1igc s TYR 95 Ca 0.12 -0.83 0.04 0.00 -1.01 0.00 0.00 57.07 55.38 1igc s TYR 95 Cb -0.12 -0.70 -0.00 0.00 -0.11 0.00 0.00 41.96 41.03 1igc s TYR 95 CO 0.02 0.01 -0.23 0.00 -1.11 0.00 0.00 175.55 174.25 1igc s ALA 97 N 0.35 1.46 -0.04 0.00 0.00 -0.41 -0.33 121.76 122.80 1igc s ALA 97 Ca -0.18 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.42 1igc s ALA 97 Cb -0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1igc s ALA 97 CO 0.08 0.16 0.42 0.50 0.00 0.00 0.00 175.76 176.92 1igc s ARG 98 N -2.28 4.06 0.00 0.00 3.52 0.16 -1.09 118.95 123.32 1igc s ARG 98 Ca 0.05 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1igc s ARG 98 Cb -0.07 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1igc s ARG 98 CO 0.03 0.52 0.14 1.87 -0.81 0.00 0.00 175.30 177.05 1igc n TRP 99 N 2.43 0.00 0.00 5.12 -0.00 -0.46 -0.83 117.44 123.71 1igc n TRP 99 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1igc n TRP 99 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 1igc n TRP 99 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1igc n GLY 100 N 0.72 4.07 3.78 5.87 0.00 -1.26 -2.26 105.19 116.11 1igc n GLY 100 Ca 0.00 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1igc n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1igc s ASN 101 N 0.00 5.54 0.15 1.61 0.02 -1.17 -4.69 114.94 116.41 1igc s ASN 101 Ca 0.00 0.01 -0.32 0.00 -1.02 0.00 0.00 52.86 51.53 1igc s ASN 101 Cb 0.00 -1.50 -0.17 0.00 0.02 0.00 0.00 41.25 39.60 1igc s ASN 101 CO 0.00 0.18 0.76 0.00 0.02 0.00 0.00 177.10 178.06 1igc n TYR 102 N 0.52 0.11 0.18 2.20 9.36 -1.26 -1.90 117.16 126.37 1igc n TYR 102 Ca -0.09 0.94 0.05 0.00 3.32 0.00 0.00 57.90 62.12 1igc n TYR 102 Cb 0.52 -2.05 0.32 0.00 -0.63 0.00 0.00 39.34 37.50 1igc n TYR 102 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1igc h PRO 103 N 1.83 0.00 -5.57 2.98 0.13 -2.05 -3.49 132.00 125.83 1igc h PRO 103 Ca -0.36 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.46 1igc h PRO 103 Cb 1.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 1igc h PRO 103 CO 0.61 0.39 1.03 0.71 -0.23 0.00 0.00 178.00 180.51 1igc s TYR 104 N -3.63 1.18 -0.59 1.56 2.02 -0.80 -4.78 117.35 112.32 1igc s TYR 104 Ca -0.00 1.59 0.05 0.00 -0.37 0.00 0.00 57.07 58.34 1igc s TYR 104 Cb 0.11 -3.60 0.35 0.00 -0.40 0.00 0.00 41.96 38.42 1igc s TYR 104 CO 0.69 -2.15 1.02 0.66 -1.57 0.00 0.00 175.55 174.21 1igc n TYR 105 N 16.47 3.92 -3.79 2.71 4.02 -1.26 -3.04 117.16 136.18 1igc n TYR 105 Ca 0.39 -3.81 -0.11 0.00 -0.01 0.00 0.00 57.90 54.36 1igc n TYR 105 Cb 0.50 -0.49 -0.08 0.00 -0.02 0.00 0.00 39.34 39.26 1igc n TYR 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1igc s ALA 106 N -3.54 -0.54 -1.19 -0.72 0.00 -1.26 -5.08 121.76 109.44 1igc s ALA 106 Ca 0.48 -0.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1igc s ALA 106 Cb 0.29 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1igc s ALA 106 CO -0.15 -0.40 1.88 -1.64 0.00 0.00 0.00 175.76 175.45 1igc s MET 107 N -2.65 2.85 0.06 0.00 -1.94 -1.25 -4.18 119.30 112.18 1igc s MET 107 Ca -0.04 -1.29 -0.11 0.00 -1.71 0.00 0.00 55.69 52.53 1igc s MET 107 Cb -0.01 -5.30 -0.03 0.00 2.01 0.00 0.00 34.83 31.51 1igc s MET 107 CO -0.04 -3.53 1.06 -3.47 -0.01 0.00 0.00 175.02 169.03 1igc n ASP 108 N 12.91 -0.39 -4.21 3.03 -0.08 -0.01 -4.69 116.55 123.11 1igc n ASP 108 Ca 0.45 1.15 -0.24 0.00 -1.51 0.00 0.00 54.79 54.63 1igc n ASP 108 Cb 0.47 -0.33 -0.14 0.00 2.34 0.00 0.00 41.12 43.45 1igc n ASP 108 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1igc s TYR 109 N -4.03 1.65 0.07 -0.67 2.02 -1.22 -4.95 117.35 110.22 1igc s TYR 109 Ca -0.04 -0.36 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 1igc s TYR 109 Cb 0.04 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1igc s TYR 109 CO 0.23 0.06 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.49 1igc s TRP 110 N -0.75 1.74 0.00 2.71 0.52 -1.26 0.41 118.94 122.31 1igc s TRP 110 Ca 0.06 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.78 1igc s TRP 110 Cb -0.08 -1.00 0.00 0.00 -1.15 0.00 0.00 33.47 31.24 1igc s TRP 110 CO 0.01 0.14 0.00 0.41 0.02 0.00 0.00 176.95 177.53 1igc n GLY 111 N 1.47 -0.12 0.10 0.98 0.00 0.56 -4.61 105.19 103.56 1igc n GLY 111 Ca -0.18 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.09 1igc n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1igc n GLN 112 N -0.97 0.62 0.00 1.61 1.13 -1.26 -4.88 117.38 113.63 1igc n GLN 112 Ca 0.00 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1igc n GLN 112 Cb 0.00 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.55 1igc n GLN 112 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1igc n GLY 113 N 1.27 0.93 2.74 1.08 0.00 -1.25 -5.02 105.19 104.94 1igc n GLY 113 Ca -0.04 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 1igc n GLY 113 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1igc s THR 114 N -2.89 0.30 0.36 2.61 -1.32 -0.12 -4.69 115.64 109.88 1igc s THR 114 Ca 0.00 0.03 -0.19 0.00 -1.21 0.00 0.00 61.69 60.33 1igc s THR 114 Cb 0.00 -0.56 -0.10 0.00 -1.51 0.00 0.00 72.50 70.33 1igc s THR 114 CO 0.00 0.14 0.84 -0.55 -2.21 0.00 0.00 174.62 172.84 1igc s SER 115 N 1.99 6.92 -0.04 8.08 0.15 -1.26 -1.35 113.70 128.19 1igc s SER 115 Ca 0.04 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.22 1igc s SER 115 Cb -0.13 -2.46 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1igc s SER 115 CO -0.06 -0.23 -0.07 -0.69 1.20 0.00 0.00 173.24 173.40 1igc s VAL 116 N -1.98 0.67 -0.08 4.45 1.01 -0.18 -2.55 120.40 121.73 1igc s VAL 116 Ca 0.56 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1igc s VAL 116 Cb -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1igc s VAL 116 CO 0.17 0.24 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 1igc s THR 117 N 0.71 1.72 -0.28 3.92 2.01 -0.57 -2.77 115.64 120.38 1igc s THR 117 Ca -0.11 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 1igc s THR 117 Cb -0.13 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1igc s THR 117 CO 0.01 0.48 0.05 -0.69 -0.69 0.00 0.00 174.62 173.78 1igc s VAL 118 N 0.36 3.74 0.04 3.82 1.01 -1.26 -0.69 120.40 127.41 1igc s VAL 118 Ca -0.15 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1igc s VAL 118 Cb -0.16 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.38 1igc s VAL 118 CO 0.06 0.11 0.74 -0.55 0.00 0.00 0.00 175.10 175.46 1igc s SER 119 N 1.46 -0.51 0.15 3.32 0.15 0.43 -4.64 113.70 114.07 1igc s SER 119 Ca 0.02 0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.87 1igc s SER 119 Cb -0.17 0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1igc s SER 119 CO 0.01 -0.73 1.34 0.28 1.20 0.00 0.00 173.24 175.34 1igc h SER 120 N 2.27 0.35 -2.71 5.45 0.02 -1.96 -3.32 113.55 113.66 1igc h SER 120 Ca -0.28 -0.29 -0.59 0.00 -0.84 0.00 0.00 61.79 59.80 1igc h SER 120 Cb 1.24 -0.11 0.16 0.00 0.14 0.00 0.00 62.40 63.83 1igc h SER 120 CO 0.36 1.09 -0.43 0.00 -1.14 0.00 0.00 176.83 176.71 1igc n ALA 121 N -2.49 -1.33 -2.08 3.77 0.00 -1.26 -4.99 120.51 112.13 1igc n ALA 121 Ca -0.05 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1igc n ALA 121 Cb 0.83 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 1igc n ALA 121 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1igc s LYS 122 N -1.84 3.93 -0.10 0.00 -0.14 -1.26 -5.00 119.74 115.33 1igc s LYS 122 Ca 0.66 0.68 -0.25 0.00 -1.36 0.00 0.00 55.97 55.70 1igc s LYS 122 Cb -0.50 -2.34 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1igc s LYS 122 CO 0.56 -0.00 0.78 -0.08 -0.76 0.00 0.00 175.35 175.85 1igc s THR 123 N -2.25 4.96 -0.28 2.17 -1.32 -1.26 -4.71 115.64 112.94 1igc s THR 123 Ca 0.55 1.59 0.03 0.00 -1.21 0.00 0.00 61.69 62.65 1igc s THR 123 Cb -0.10 -4.11 0.07 0.00 -1.51 0.00 0.00 72.50 66.85 1igc s THR 123 CO 0.24 0.16 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.86 1igc s THR 124 N 1.33 2.13 0.99 5.08 2.01 0.07 -5.01 115.64 122.24 1igc s THR 124 Ca 0.40 -1.81 -0.12 0.00 0.31 0.00 0.00 61.69 60.48 1igc s THR 124 Cb -0.18 -2.35 0.18 0.00 0.01 0.00 0.00 72.50 70.17 1igc s THR 124 CO 0.17 -0.21 1.08 -2.16 -0.69 0.00 0.00 174.62 172.82 1igc s PRO 125 N 1.07 0.49 0.28 4.92 0.04 -1.26 -1.65 135.00 138.89 1igc s PRO 125 Ca -0.03 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 61.97 1igc s PRO 125 Cb -0.20 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1igc s PRO 125 CO -0.06 -2.82 0.54 -1.25 0.04 0.00 0.00 177.00 173.44 1igc s PRO 126 N -4.72 3.62 -0.23 0.56 0.04 -1.26 -4.23 135.00 128.77 1igc s PRO 126 Ca 0.66 -0.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.59 1igc s PRO 126 Cb -0.21 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 1igc s PRO 126 CO 0.60 0.23 0.07 -1.12 0.04 0.00 0.00 177.00 176.82 1igc s SER 127 N -3.19 5.25 -0.20 6.66 0.01 -0.98 -5.00 113.70 116.25 1igc s SER 127 Ca 0.43 -0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.48 1igc s SER 127 Cb -0.11 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1igc s SER 127 CO 0.30 0.01 0.05 -0.69 0.41 0.00 0.00 173.24 173.32 1igc s VAL 128 N 1.34 4.52 -0.07 3.43 1.01 -1.26 -2.35 120.40 127.02 1igc s VAL 128 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1igc s VAL 128 Cb -0.15 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1igc s VAL 128 CO 0.04 0.42 -0.13 -0.31 0.00 0.00 0.00 175.10 175.12 1igc s TYR 129 N 0.79 1.53 0.66 5.22 2.02 -0.05 -4.99 117.35 122.53 1igc s TYR 129 Ca 0.03 -0.58 -0.13 0.00 -0.37 0.00 0.00 57.07 56.02 1igc s TYR 129 Cb -0.14 -1.12 -0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1igc s TYR 129 CO 0.02 -0.29 1.06 -1.25 -1.57 0.00 0.00 175.55 173.52 1igc s PRO 130 N 0.67 3.00 -0.35 -1.71 0.04 -1.26 -0.94 135.00 134.44 1igc s PRO 130 Ca -0.14 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.01 1igc s PRO 130 Cb -0.16 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.49 1igc s PRO 130 CO 0.04 -1.06 0.11 -0.51 0.04 0.00 0.00 177.00 175.62 1igc s LEU 131 N -5.16 3.52 -0.12 -3.56 1.43 -1.16 -4.82 118.68 108.80 1igc s LEU 131 Ca 0.61 -2.08 -0.04 0.00 -1.03 0.00 0.00 54.13 51.58 1igc s LEU 131 Cb -0.15 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1igc s LEU 131 CO 0.48 -0.37 0.03 0.00 0.23 0.00 0.00 176.35 176.72 1igc s ALA 132 N 1.02 3.37 0.03 4.21 0.00 -1.26 -2.97 121.76 126.16 1igc s ALA 132 Ca 0.12 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1igc s ALA 132 Cb -0.20 -1.68 -0.20 0.00 0.00 0.00 0.00 23.12 21.05 1igc s ALA 132 CO -0.13 0.44 1.18 -1.00 0.00 0.00 0.00 175.76 176.25 1igc h PRO 133 N 5.71 0.49 0.00 0.00 0.13 -1.92 -3.46 132.00 132.95 1igc h PRO 133 Ca -0.45 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 1igc h PRO 133 Cb 1.19 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1igc h PRO 133 CO 0.60 1.08 0.00 0.41 -0.23 0.00 0.00 178.00 179.86 1igc n GLY 134 N 0.85 0.00 3.10 1.56 0.00 -1.26 -4.45 105.19 104.99 1igc n GLY 134 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1igc n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1igc s SER 135 N 0.00 -1.41 0.00 1.61 0.15 -1.26 -4.64 113.70 108.15 1igc s SER 135 Ca 0.00 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1igc s SER 135 Cb 0.00 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1igc s SER 135 CO 0.00 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.30 1igc n ALA 136 N 4.12 0.00 -1.51 5.45 0.00 -1.26 -5.07 120.51 122.24 1igc n ALA 136 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 1igc n ALA 136 Cb 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 1igc n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1igc n ALA 137 N 0.00 0.51 -3.64 0.00 0.00 -1.26 -4.77 120.51 111.35 1igc n ALA 137 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 1igc n ALA 137 Cb 0.00 -2.52 -0.07 0.00 0.00 0.00 0.00 19.45 16.87 1igc n ALA 137 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1igc s GLN 138 N 8.58 3.24 0.21 0.00 -2.07 -1.26 -5.07 119.66 123.30 1igc s GLN 138 Ca 1.26 -3.22 -0.22 0.00 -1.82 0.00 0.00 55.36 51.36 1igc s GLN 138 Cb -0.94 -3.95 0.05 0.00 -1.09 0.00 0.00 33.01 27.07 1igc s GLN 138 CO 0.44 -1.26 0.64 -0.08 -1.32 0.00 0.00 175.29 173.71 1igc s THR 139 N -1.25 0.00 -0.09 3.63 -1.32 -1.26 -4.14 115.64 111.22 1igc s THR 139 Ca 0.27 -0.46 0.05 0.00 -1.21 0.00 0.00 61.69 60.34 1igc s THR 139 Cb -0.08 -1.44 -0.09 0.00 -1.51 0.00 0.00 72.50 69.37 1igc s THR 139 CO -0.12 -0.01 -0.02 -3.20 -2.21 0.00 0.00 174.62 169.07 1igc n ASN 140 N -0.41 3.03 0.00 8.08 2.85 -1.26 -4.88 115.26 122.67 1igc n ASN 140 Ca -0.11 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1igc n ASN 140 Cb 0.62 0.39 0.00 0.00 1.24 0.00 0.00 39.78 42.03 1igc n ASN 140 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1igc n SER 141 N -2.49 0.00 -4.74 1.20 7.64 -1.26 -5.11 113.62 108.86 1igc n SER 141 Ca -0.15 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 1igc n SER 141 Cb 0.75 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.87 1igc n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1igc s MET 142 N 0.00 4.20 0.13 1.43 0.23 -1.26 0.22 119.30 124.24 1igc s MET 142 Ca 0.00 0.06 0.02 0.00 -1.03 0.00 0.00 55.69 54.75 1igc s MET 142 Cb 0.00 -3.40 -0.04 0.00 -1.53 0.00 0.00 34.83 29.86 1igc s MET 142 CO 0.00 0.29 0.24 0.08 -2.03 0.00 0.00 175.02 173.60 1igc s VAL 143 N 0.32 5.20 -0.13 5.16 1.01 0.54 -4.17 120.40 128.33 1igc s VAL 143 Ca 0.16 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1igc s VAL 143 Cb -0.13 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1igc s VAL 143 CO 0.04 -0.03 -0.03 0.28 0.00 0.00 0.00 175.10 175.36 1igc s THR 144 N -1.67 0.80 0.30 3.92 -1.32 -1.26 -1.31 115.64 115.09 1igc s THR 144 Ca 0.34 -0.31 0.08 0.00 -1.21 0.00 0.00 61.69 60.59 1igc s THR 144 Cb -0.11 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 1igc s THR 144 CO 0.27 0.19 0.14 -1.48 -2.21 0.00 0.00 174.62 171.54 1igc s LEU 145 N 1.78 3.45 0.00 9.08 0.05 -0.02 -4.59 118.68 128.43 1igc s LEU 145 Ca 0.03 -0.55 0.00 0.00 0.05 0.00 0.00 54.13 53.66 1igc s LEU 145 Cb -0.14 -1.98 0.00 0.00 -2.05 0.00 0.00 46.19 42.02 1igc s LEU 145 CO -0.07 -0.16 0.00 0.61 -0.55 0.00 0.00 176.35 176.18 1igc n GLY 146 N -1.13 2.76 3.43 -3.48 0.00 -1.16 -1.94 105.19 103.67 1igc n GLY 146 Ca -0.05 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1igc n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igc s LEU 148 N 0.21 2.97 -0.40 0.00 0.20 -0.12 -1.53 118.68 120.00 1igc s LEU 148 Ca -0.01 -0.33 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1igc s LEU 148 Cb -0.04 -1.74 0.12 0.00 -0.43 0.00 0.00 46.19 44.10 1igc s LEU 148 CO 0.01 0.03 0.17 -0.69 -0.29 0.00 0.00 176.35 175.58 1igc s VAL 149 N 1.20 1.69 0.24 1.68 1.01 -0.71 -0.87 120.40 124.64 1igc s VAL 149 Ca 0.02 -2.39 0.08 0.00 0.00 0.00 0.00 61.98 59.70 1igc s VAL 149 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1igc s VAL 149 CO -0.01 -0.76 0.08 -0.75 0.00 0.00 0.00 175.10 173.66 1igc s LYS 150 N 0.64 2.59 0.00 2.72 2.20 -0.99 0.18 119.74 127.09 1igc s LYS 150 Ca 0.14 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1igc s LYS 150 Cb -0.22 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1igc s LYS 150 CO -0.07 0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 1igc n GLY 151 N -0.82 0.28 3.94 5.54 0.00 -1.06 -2.33 105.19 110.75 1igc n GLY 151 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1igc n GLY 151 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1igc s TYR 152 N -1.69 3.38 -0.30 1.61 1.13 -0.96 -4.71 117.35 115.81 1igc s TYR 152 Ca 0.00 0.34 -0.18 0.00 -1.41 0.00 0.00 57.07 55.82 1igc s TYR 152 Cb 0.00 -2.11 0.19 0.00 -1.10 0.00 0.00 41.96 38.94 1igc s TYR 152 CO 0.00 -0.12 1.21 0.12 -2.51 0.00 0.00 175.55 174.25 1igc s PHE 153 N -2.46 -0.20 0.00 -3.49 2.19 -0.66 0.24 117.98 113.61 1igc s PHE 153 Ca 0.44 0.41 0.00 0.00 0.33 0.00 0.00 56.93 58.11 1igc s PHE 153 Cb -0.10 0.19 0.00 0.00 -1.31 0.00 0.00 43.02 41.80 1igc s PHE 153 CO 0.38 -0.10 0.00 -0.35 1.83 0.00 0.00 175.22 176.98 1igc n PRO 154 N 2.97 0.97 -4.00 10.12 -0.04 -1.26 -0.75 135.00 143.01 1igc n PRO 154 Ca -0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1igc n PRO 154 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 1igc n PRO 154 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1igc s GLU 155 N -0.50 3.23 0.14 0.54 0.41 -1.26 -4.72 118.70 116.54 1igc s GLU 155 Ca 0.00 -0.44 0.01 0.00 -0.41 0.00 0.00 54.97 54.14 1igc s GLU 155 Cb 0.00 -2.96 0.01 0.00 -1.78 0.00 0.00 34.13 29.41 1igc s GLU 155 CO 0.00 0.65 0.12 -0.35 -0.49 0.00 0.00 175.26 175.19 1igc n PRO 156 N 0.94 1.22 -4.13 0.39 -0.04 -1.26 -4.88 135.00 127.25 1igc n PRO 156 Ca -0.11 -0.86 -0.15 0.00 -0.04 0.00 0.00 63.50 62.34 1igc n PRO 156 Cb 0.52 0.07 -0.12 0.00 -0.04 0.00 0.00 33.50 33.93 1igc n PRO 156 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1igc s VAL 157 N -0.56 0.67 -0.16 0.52 -7.23 -1.26 -4.16 120.40 108.23 1igc s VAL 157 Ca 0.09 -0.96 -0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1igc s VAL 157 Cb -0.01 -0.68 0.04 0.00 0.56 0.00 0.00 36.38 36.28 1igc s VAL 157 CO 0.06 -0.23 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.65 1igc s THR 158 N -1.09 1.25 -0.16 5.32 2.01 -0.57 -4.95 115.64 117.45 1igc s THR 158 Ca -0.05 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1igc s THR 158 Cb -0.08 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1igc s THR 158 CO 0.01 0.24 0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 1igc s VAL 159 N 1.59 4.97 0.07 3.82 1.01 -1.25 -1.53 120.40 129.07 1igc s VAL 159 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1igc s VAL 159 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1igc s VAL 159 CO -0.08 0.51 -0.07 0.42 0.00 0.00 0.00 175.10 175.88 1igc s THR 160 N -0.13 0.59 -0.21 3.92 -4.23 -0.83 -4.94 115.64 109.81 1igc s THR 160 Ca 0.08 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1igc s THR 160 Cb -0.12 -1.11 -0.00 0.00 1.34 0.00 0.00 72.50 72.61 1igc s THR 160 CO 0.01 -0.62 -0.08 0.26 -0.54 0.00 0.00 174.62 173.64 1igc s TRP 161 N -2.46 2.91 -1.00 3.99 0.52 -1.26 0.91 118.94 122.54 1igc s TRP 161 Ca 0.00 -1.10 -0.01 0.00 0.02 0.00 0.00 56.10 55.02 1igc s TRP 161 Cb -0.03 -2.05 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 1igc s TRP 161 CO -0.02 -0.60 0.84 0.09 0.02 0.00 0.00 176.95 177.27 1igc n ASN 162 N 4.71 -2.32 -3.44 2.95 4.13 0.64 -2.04 115.26 119.89 1igc n ASN 162 Ca -0.19 -0.51 -0.23 0.00 1.68 0.00 0.00 54.58 55.33 1igc n ASN 162 Cb 0.51 -4.31 -0.02 0.00 -1.54 0.00 0.00 39.78 34.42 1igc n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1igc n SER 163 N -2.71 -3.05 0.00 6.41 7.64 -1.26 -1.48 113.62 119.16 1igc n SER 163 Ca -0.22 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1igc n SER 163 Cb 0.63 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.27 1igc n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igc n GLY 164 N -1.06 0.54 0.30 0.23 0.00 -0.86 -4.90 105.19 99.43 1igc n GLY 164 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1igc n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1igc n SER 165 N -0.11 0.48 -3.50 1.61 7.64 -0.55 -4.09 113.62 115.09 1igc n SER 165 Ca 0.00 -1.60 -0.29 0.00 1.01 0.00 0.00 58.87 58.00 1igc n SER 165 Cb 0.05 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 62.88 1igc n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1igc s LEU 166 N -0.40 0.68 0.00 -3.43 1.43 -1.20 -4.86 118.68 110.90 1igc s LEU 166 Ca 0.00 -1.65 0.10 0.00 -1.03 0.00 0.00 54.13 51.56 1igc s LEU 166 Cb 0.00 -0.33 -0.00 0.00 0.03 0.00 0.00 46.19 45.89 1igc s LEU 166 CO 0.00 -0.38 0.64 -1.54 0.23 0.00 0.00 176.35 175.30 1igc n SER 167 N 4.75 1.24 0.00 2.29 3.41 -1.26 -4.40 113.62 119.65 1igc n SER 167 Ca 0.02 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1igc n SER 167 Cb 0.40 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1igc n SER 167 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1igc n SER 168 N -0.23 0.00 -2.54 4.04 3.41 -1.26 -4.22 113.62 112.82 1igc n SER 168 Ca 0.04 0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.70 1igc n SER 168 Cb 0.22 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1igc n SER 168 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1igc n GLY 169 N -0.38 3.48 3.76 5.00 0.00 -1.26 -5.03 105.19 110.77 1igc n GLY 169 Ca 0.00 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1igc n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igc s VAL 170 N -4.10 2.64 -0.24 1.61 1.01 -1.26 -3.69 120.40 116.36 1igc s VAL 170 Ca 0.36 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1igc s VAL 170 Cb 0.39 -3.26 0.12 0.00 0.00 0.00 0.00 36.38 33.64 1igc s VAL 170 CO -0.03 0.00 0.47 -1.00 0.00 0.00 0.00 175.10 174.55 1igc s HIS 171 N -1.41 -1.01 -0.07 5.22 3.76 0.41 -4.91 115.29 117.28 1igc s HIS 171 Ca 0.66 1.49 0.02 0.00 -0.15 0.00 0.00 55.06 57.08 1igc s HIS 171 Cb -0.34 0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.66 1igc s HIS 171 CO 0.42 -0.63 -0.11 0.99 -0.85 0.00 0.00 174.74 174.55 1igc s THR 172 N 2.68 3.31 -0.16 1.30 2.01 -1.26 0.18 115.64 123.69 1igc s THR 172 Ca 0.05 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 1igc s THR 172 Cb -0.13 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1igc s THR 172 CO -0.16 0.58 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.93 1igc s PHE 173 N -0.55 2.96 0.62 4.92 0.40 -0.49 -4.98 117.98 120.86 1igc s PHE 173 Ca 0.08 -0.49 -0.17 0.00 -0.60 0.00 0.00 56.93 55.74 1igc s PHE 173 Cb -0.12 -1.96 -0.10 0.00 0.51 0.00 0.00 43.02 41.36 1igc s PHE 173 CO 0.02 -0.17 0.24 -0.35 0.70 0.00 0.00 175.22 175.65 1igc n PRO 174 N 3.77 0.27 -2.51 0.24 -0.04 -1.26 -3.28 135.00 132.20 1igc n PRO 174 Ca -0.18 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 1igc n PRO 174 Cb 0.52 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1igc n PRO 174 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1igc s ALA 175 N -1.87 3.39 0.14 0.55 0.00 -1.26 -4.70 121.76 118.00 1igc s ALA 175 Ca 0.62 0.85 0.09 0.00 0.00 0.00 0.00 51.96 53.52 1igc s ALA 175 Cb -0.41 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1igc s ALA 175 CO 0.61 -0.15 -0.14 0.54 0.00 0.00 0.00 175.76 176.62 1igc s VAL 176 N -0.80 3.07 -0.00 0.00 0.11 -0.89 -4.89 120.40 116.99 1igc s VAL 176 Ca 0.46 -1.51 -0.03 0.00 -2.93 0.00 0.00 61.98 57.97 1igc s VAL 176 Cb -0.31 -2.45 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 1igc s VAL 176 CO 0.38 0.03 0.19 -0.22 -3.33 0.00 0.00 175.10 172.15 1igc s LEU 177 N -2.39 4.37 -0.08 2.54 0.20 -1.26 -1.69 118.68 120.37 1igc s LEU 177 Ca 0.21 0.36 -0.06 0.00 0.69 0.00 0.00 54.13 55.33 1igc s LEU 177 Cb -0.10 -2.66 -0.04 0.00 -0.43 0.00 0.00 46.19 42.96 1igc s LEU 177 CO 0.13 0.25 -0.14 0.00 -0.29 0.00 0.00 176.35 176.30 1igc n GLN 178 N 0.89 0.22 -2.96 1.98 0.00 -0.23 -4.95 117.38 112.33 1igc n GLN 178 Ca -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 57.00 56.97 1igc n GLN 178 Cb 0.52 -0.88 0.00 0.00 0.00 0.00 0.00 30.24 29.89 1igc n GLN 178 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1igc s SER 179 N -5.97 -1.45 -1.46 2.61 0.15 -1.26 -4.88 113.70 101.43 1igc s SER 179 Ca -0.14 -1.34 -0.01 0.00 0.70 0.00 0.00 55.95 55.16 1igc s SER 179 Cb 0.05 1.91 0.01 0.00 -1.71 0.00 0.00 66.02 66.27 1igc s SER 179 CO 0.18 -0.10 0.11 0.47 1.20 0.00 0.00 173.24 175.10 1igc n ASP 180 N 3.58 -5.07 -3.72 5.45 9.92 -1.26 -4.95 116.55 120.50 1igc n ASP 180 Ca 0.15 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.30 1igc n ASP 180 Cb 0.56 -4.22 -0.12 0.00 -0.64 0.00 0.00 41.12 36.70 1igc n ASP 180 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1igc s LEU 181 N -6.00 0.21 0.60 0.64 1.43 -1.26 -4.69 118.68 109.62 1igc s LEU 181 Ca 0.07 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1igc s LEU 181 Cb -0.03 1.01 0.04 0.00 0.03 0.00 0.00 46.19 47.24 1igc s LEU 181 CO 0.08 -0.18 0.86 -0.31 0.23 0.00 0.00 176.35 177.04 1igc s TYR 182 N 1.27 2.90 -0.17 0.29 1.51 0.66 -1.07 117.35 122.75 1igc s TYR 182 Ca -0.09 0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 56.03 1igc s TYR 182 Cb -0.09 -2.90 0.05 0.00 -0.11 0.00 0.00 41.96 38.91 1igc s TYR 182 CO -0.10 -1.05 0.43 0.95 -1.11 0.00 0.00 175.55 174.67 1igc s THR 183 N -2.94 -0.01 0.11 -0.71 -4.23 -0.68 -2.27 115.64 104.91 1igc s THR 183 Ca 0.58 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1igc s THR 183 Cb -0.10 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 1igc s THR 183 CO 0.41 0.02 0.05 -1.48 -0.54 0.00 0.00 174.62 173.08 1igc s LEU 184 N 0.90 1.92 0.31 4.79 0.05 0.13 -2.10 118.68 124.67 1igc s LEU 184 Ca -0.05 -1.12 0.04 0.00 0.05 0.00 0.00 54.13 53.05 1igc s LEU 184 Cb -0.06 0.33 -0.06 0.00 -2.05 0.00 0.00 46.19 44.35 1igc s LEU 184 CO -0.07 -0.70 0.03 -0.94 -0.55 0.00 0.00 176.35 174.12 1igc s SER 185 N -3.01 2.43 -0.13 1.48 1.04 -1.20 -1.73 113.70 112.58 1igc s SER 185 Ca 0.19 -1.33 -0.05 0.00 0.48 0.00 0.00 55.95 55.23 1igc s SER 185 Cb 0.07 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.15 1igc s SER 185 CO -0.02 -0.55 0.28 -0.55 0.98 0.00 0.00 173.24 173.38 1igc s SER 186 N -3.47 0.03 0.34 7.02 0.15 -0.58 -1.40 113.70 115.78 1igc s SER 186 Ca 0.35 0.62 0.10 0.00 0.70 0.00 0.00 55.95 57.71 1igc s SER 186 Cb 0.08 0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 64.97 1igc s SER 186 CO 0.14 -0.21 -0.07 -0.94 1.20 0.00 0.00 173.24 173.36 1igc s SER 187 N 1.95 3.85 -0.28 5.45 1.04 0.48 -0.99 113.70 125.20 1igc s SER 187 Ca -0.03 -1.13 -0.24 0.00 0.48 0.00 0.00 55.95 55.03 1igc s SER 187 Cb -0.11 -0.40 0.09 0.00 0.10 0.00 0.00 66.02 65.70 1igc s SER 187 CO -0.09 -0.19 0.83 0.54 0.98 0.00 0.00 173.24 175.31 1igc s VAL 188 N -2.58 0.00 -0.11 5.02 0.11 -0.82 -0.44 120.40 121.58 1igc s VAL 188 Ca 0.33 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1igc s VAL 188 Cb 0.01 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1igc s VAL 188 CO 0.17 0.00 -0.09 0.28 -3.33 0.00 0.00 175.10 172.13 1igc s THR 189 N 0.48 1.14 0.22 5.04 -1.32 -1.24 -0.84 115.64 119.12 1igc s THR 189 Ca -0.00 -0.38 0.10 0.00 -1.21 0.00 0.00 61.69 60.20 1igc s THR 189 Cb -0.05 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.78 1igc s THR 189 CO -0.04 0.38 -0.12 0.68 -2.21 0.00 0.00 174.62 173.31 1igc s VAL 190 N 1.50 2.97 1.22 5.08 -7.23 -0.43 -4.27 120.40 119.25 1igc s VAL 190 Ca 0.02 -1.94 -0.16 0.00 -1.81 0.00 0.00 61.98 58.09 1igc s VAL 190 Cb -0.13 -2.51 0.29 0.00 0.56 0.00 0.00 36.38 34.59 1igc s VAL 190 CO -0.07 -0.24 1.02 -2.84 -0.31 0.00 0.00 175.10 172.67 1igc s PRO 191 N -3.15 -1.33 0.06 4.82 0.02 -1.26 0.20 135.00 134.37 1igc s PRO 191 Ca 0.27 0.46 -0.21 0.00 0.02 0.00 0.00 61.00 61.53 1igc s PRO 191 Cb -0.07 -1.54 -0.12 0.00 0.02 0.00 0.00 34.50 32.79 1igc s PRO 191 CO 0.15 -3.90 1.51 0.66 -0.33 0.00 0.00 177.00 175.10 1igc h SER 192 N -2.73 0.24 0.00 2.53 4.64 0.23 -3.35 113.55 115.10 1igc h SER 192 Ca -0.54 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 1igc h SER 192 Cb 1.33 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1igc h SER 192 CO 0.44 0.46 0.00 -1.20 -0.87 0.00 0.00 176.83 175.66 1igc n SER 193 N -4.79 0.00 0.10 4.97 7.64 -1.26 -3.71 113.62 116.57 1igc n SER 193 Ca -0.05 0.44 0.05 0.00 1.01 0.00 0.00 58.87 60.31 1igc n SER 193 Cb 0.19 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.64 1igc n SER 193 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1igc n PRO 194 N -0.87 0.06 -0.34 1.43 -0.02 -1.26 -4.36 135.00 129.64 1igc n PRO 194 Ca 0.00 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 1igc n PRO 194 Cb 0.00 -1.92 0.27 0.00 -0.02 0.00 0.00 33.50 31.83 1igc n PRO 194 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1igc h ARG 195 N 0.00 0.01 0.00 -0.52 2.43 -1.70 -1.84 114.38 112.76 1igc h ARG 195 Ca 0.00 -0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1igc h ARG 195 Cb 0.43 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1igc h ARG 195 CO 0.00 0.01 -1.77 -0.35 -1.51 0.00 0.00 179.97 176.35 1igc n PRO 196 N -5.51 0.32 -0.37 0.20 -0.04 -1.26 -4.56 135.00 123.77 1igc n PRO 196 Ca 0.22 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1igc n PRO 196 Cb 0.72 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.94 1igc n PRO 196 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1igc h SER 197 N -0.23 -2.11 -2.78 3.54 0.02 -1.74 -3.37 113.55 106.87 1igc h SER 197 Ca -0.32 0.32 -0.65 0.00 -0.84 0.00 0.00 61.79 60.29 1igc h SER 197 Cb 1.39 0.93 -0.06 0.00 0.14 0.00 0.00 62.40 64.80 1igc h SER 197 CO -0.12 -0.26 -0.42 -1.61 -1.14 0.00 0.00 176.83 173.27 1igc s GLU 198 N -5.53 3.54 0.33 3.45 8.01 -0.70 -5.03 118.70 122.76 1igc s GLU 198 Ca -0.12 -0.08 -0.21 0.00 0.01 0.00 0.00 54.97 54.57 1igc s GLU 198 Cb 0.11 -3.15 -0.10 0.00 -4.31 0.00 0.00 34.13 26.68 1igc s GLU 198 CO 0.62 0.72 0.85 0.95 0.01 0.00 0.00 175.26 178.41 1igc s THR 199 N -1.15 4.44 -0.20 3.63 -4.23 -1.26 -4.53 115.64 112.34 1igc s THR 199 Ca 0.21 1.42 0.01 0.00 -1.18 0.00 0.00 61.69 62.15 1igc s THR 199 Cb -0.13 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 69.96 1igc s THR 199 CO 0.10 -0.05 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.28 1igc s VAL 200 N -1.84 2.16 -0.05 2.29 1.01 -1.26 -5.01 120.40 117.71 1igc s VAL 200 Ca 0.53 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1igc s VAL 200 Cb -0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1igc s VAL 200 CO 0.19 0.41 -0.23 -0.89 0.00 0.00 0.00 175.10 174.58 1igc s THR 201 N 1.26 1.85 -0.14 3.92 2.01 -1.26 -2.03 115.64 121.25 1igc s THR 201 Ca 0.02 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 1igc s THR 201 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1igc s THR 201 CO -0.11 0.52 0.12 0.00 -0.69 0.00 0.00 174.62 174.47 1igc s ASN 203 N -0.53 6.07 -0.07 0.00 0.01 0.26 -2.22 114.94 118.46 1igc s ASN 203 Ca 0.12 0.30 0.02 0.00 -0.71 0.00 0.00 52.86 52.59 1igc s ASN 203 Cb -0.12 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.57 1igc s ASN 203 CO 0.02 0.31 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.12 1igc s VAL 204 N -0.41 1.02 0.10 1.60 1.01 -0.70 -1.97 120.40 121.05 1igc s VAL 204 Ca 0.11 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1igc s VAL 204 Cb -0.12 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1igc s VAL 204 CO 0.02 0.34 -0.25 0.00 0.00 0.00 0.00 175.10 175.20 1igc s ALA 205 N 0.87 2.16 -0.42 5.51 0.00 -0.58 -1.69 121.76 127.61 1igc s ALA 205 Ca -0.11 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.57 1igc s ALA 205 Cb -0.15 -0.36 0.17 0.00 0.00 0.00 0.00 23.12 22.78 1igc s ALA 205 CO 0.01 0.48 0.50 -1.58 0.00 0.00 0.00 175.76 175.18 1igc s HIS 206 N -1.00 -0.65 0.18 0.00 5.04 -0.42 -1.51 115.29 116.92 1igc s HIS 206 Ca 0.11 -0.82 -0.17 0.00 -1.54 0.00 0.00 55.06 52.65 1igc s HIS 206 Cb -0.10 -0.18 0.13 0.00 0.04 0.00 0.00 32.58 32.47 1igc s HIS 206 CO 0.04 -1.06 1.65 -1.00 -2.34 0.00 0.00 174.74 172.03 1igc h PRO 207 N 6.31 -0.04 -1.06 2.88 0.13 -1.80 0.44 132.00 138.87 1igc h PRO 207 Ca 0.09 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.53 1igc h PRO 207 Cb 1.07 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1igc h PRO 207 CO 0.16 -0.03 0.76 0.00 -0.23 0.00 0.00 178.00 178.66 1igc h ALA 208 N 1.38 2.97 -0.02 -0.56 0.00 -1.88 -0.11 119.26 121.04 1igc h ALA 208 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1igc h ALA 208 Cb 0.38 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1igc h ALA 208 CO -0.49 -1.28 0.00 -1.13 0.00 0.00 0.00 179.25 176.35 1igc n SER 209 N -4.23 1.40 -3.74 0.00 3.41 -0.46 -4.86 113.62 105.14 1igc n SER 209 Ca 0.22 -1.28 -0.33 0.00 -0.26 0.00 0.00 58.87 57.22 1igc n SER 209 Cb 1.11 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 65.09 1igc n SER 209 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1igc n SER 210 N 0.05 -4.89 -4.68 4.04 3.41 0.14 -4.95 113.62 106.74 1igc n SER 210 Ca 0.02 -1.05 -0.35 0.00 -0.26 0.00 0.00 58.87 57.22 1igc n SER 210 Cb 0.11 -3.15 -0.09 0.00 -0.26 0.00 0.00 64.21 60.81 1igc n SER 210 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1igc s THR 211 N -3.50 4.62 -0.25 6.66 2.01 -0.76 -4.98 115.64 119.45 1igc s THR 211 Ca 0.45 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 1igc s THR 211 Cb -0.17 -3.01 0.10 0.00 0.01 0.00 0.00 72.50 69.43 1igc s THR 211 CO 0.88 0.54 0.20 -0.75 -0.69 0.00 0.00 174.62 174.80 1igc s LYS 212 N -0.33 0.22 -0.00 4.92 2.20 -1.24 -1.29 119.74 124.21 1igc s LYS 212 Ca 0.08 -0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.53 1igc s LYS 212 Cb -0.12 -1.09 -0.00 0.00 -1.51 0.00 0.00 37.83 35.10 1igc s LYS 212 CO 0.02 -0.89 -0.03 0.54 -0.36 0.00 0.00 175.35 174.63 1igc s VAL 213 N 2.25 0.24 -0.09 4.02 0.11 -0.68 -4.99 120.40 121.25 1igc s VAL 213 Ca 0.08 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1igc s VAL 213 Cb -0.15 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1igc s VAL 213 CO -0.26 0.07 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.63 1igc s ASP 214 N -0.07 4.05 -0.32 3.54 1.01 -1.26 -1.73 116.67 121.90 1igc s ASP 214 Ca 0.01 -0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.05 1igc s ASP 214 Cb -0.01 -1.20 0.08 0.00 1.01 0.00 0.00 42.92 42.80 1igc s ASP 214 CO -0.00 0.27 0.01 -0.75 0.21 0.00 0.00 175.17 174.91 1igc s LYS 215 N -0.25 1.91 0.26 8.23 2.47 -0.94 -4.99 119.74 126.42 1igc s LYS 215 Ca 0.01 -1.63 -0.30 0.00 -1.56 0.00 0.00 55.97 52.50 1igc s LYS 215 Cb -0.13 -3.16 -0.09 0.00 -1.46 0.00 0.00 37.83 32.99 1igc s LYS 215 CO 0.03 -0.80 1.28 0.15 0.16 0.00 0.00 175.35 176.16 1igc s LYS 216 N 1.04 4.42 -0.33 4.03 1.02 -1.26 -2.71 119.74 125.95 1igc s LYS 216 Ca 0.02 2.07 -0.08 0.00 0.02 0.00 0.00 55.97 58.00 1igc s LYS 216 Cb -0.20 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1igc s LYS 216 CO -0.06 -0.16 0.13 0.42 -0.92 0.00 0.00 175.35 174.77 1igc s ILE 217 N -0.50 4.17 -0.03 2.17 1.01 -0.86 -4.96 121.20 122.19 1igc s ILE 217 Ca 0.52 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1igc s ILE 217 Cb -0.37 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1igc s ILE 217 CO 0.43 -0.08 -0.23 0.68 0.00 0.00 0.00 174.94 175.74 1igc s VAL 218 N 1.50 2.25 0.14 2.92 -7.23 -1.26 -4.33 120.40 114.39 1igc s VAL 218 Ca 0.02 -1.02 -0.33 0.00 -1.81 0.00 0.00 61.98 58.83 1igc s VAL 218 Cb -0.18 -1.81 -0.17 0.00 0.56 0.00 0.00 36.38 34.78 1igc s VAL 218 CO 0.04 0.58 0.95 -2.65 -0.31 0.00 0.00 175.10 173.71 1igc n PRO 219 N 2.53 0.53 -0.15 4.82 -0.02 -1.26 -4.71 135.00 136.74 1igc n PRO 219 Ca -0.17 0.19 -0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1igc n PRO 219 Cb 0.51 -1.54 0.01 0.00 -0.02 0.00 0.00 33.50 32.46 1igc n PRO 219 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1igc n ARG 220 N 1.42 1.07 -1.21 -0.52 1.85 -1.26 -4.88 116.66 113.13 1igc n ARG 220 Ca 0.17 -0.15 -0.13 0.00 -1.00 0.00 0.00 57.85 56.74 1igc n ARG 220 Cb 0.21 -1.06 -0.13 0.00 -1.05 0.00 0.00 32.46 30.43 1igc n ARG 220 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1igc n ASP 221 N 0.59 -1.56 0.00 2.89 -0.08 -1.26 -4.99 116.55 112.14 1igc n ASP 221 Ca 0.03 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 1igc n ASP 221 Cb 0.55 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1igc n ASP 221 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32