#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihg s ASN 2 N 0.00 7.43 0.27 3.17 -0.87 -1.26 -5.02 114.94 118.67 3ihg s ASN 2 Ca 0.00 1.70 -0.30 0.00 -1.57 0.00 0.00 52.86 52.68 3ihg s ASN 2 Cb 0.00 -2.52 -0.11 0.00 -0.02 0.00 0.00 41.25 38.60 3ihg s ASN 2 CO 0.00 0.18 1.58 -0.62 -2.57 0.00 0.00 177.10 175.67 3ihg s ASP 3 N -1.06 6.43 0.68 -1.22 2.15 -1.26 -4.97 116.67 117.41 3ihg s ASP 3 Ca 0.37 2.88 -0.17 0.00 0.43 0.00 0.00 52.55 56.06 3ihg s ASP 3 Cb -0.24 -2.63 -0.08 0.00 -0.30 0.00 0.00 42.92 39.68 3ihg s ASP 3 CO 0.27 -0.88 0.26 1.41 -0.17 0.00 0.00 175.17 176.06 3ihg n HIS 4 N 2.47 -1.65 0.07 -5.34 8.25 -1.26 -4.90 115.22 112.87 3ihg n HIS 4 Ca 0.09 0.35 0.01 0.00 -0.26 0.00 0.00 57.72 57.91 3ihg n HIS 4 Cb 0.38 -1.83 -0.05 0.00 1.12 0.00 0.00 29.99 29.61 3ihg n HIS 4 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3ihg h GLU 5 N -0.26 0.00 -3.05 -0.41 5.08 -1.65 -3.46 114.58 110.83 3ihg h GLU 5 Ca -0.44 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.79 3ihg h GLU 5 Cb 1.37 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.40 3ihg h GLU 5 CO 0.41 0.34 -0.32 0.54 -1.00 0.00 0.00 179.01 178.98 3ihg s VAL 6 N -2.96 0.04 0.02 3.13 0.11 -1.09 -5.04 120.40 114.60 3ihg s VAL 6 Ca -0.01 -0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 58.53 3ihg s VAL 6 Cb 0.08 -0.53 -0.19 0.00 -1.53 0.00 0.00 36.38 34.21 3ihg s VAL 6 CO 0.79 -0.17 1.21 0.44 -3.33 0.00 0.00 175.10 174.04 3ihg h ASP 7 N 4.58 0.50 -3.67 3.54 3.32 -1.41 -2.82 116.42 120.47 3ihg h ASP 7 Ca -0.28 -0.64 -0.46 0.00 0.02 0.00 0.00 57.03 55.66 3ihg h ASP 7 Cb 1.18 -0.15 -0.32 0.00 0.22 0.00 0.00 39.33 40.27 3ihg h ASP 7 CO 0.36 1.06 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.45 3ihg s VAL 8 N -3.67 0.91 -0.21 -1.35 1.01 -0.79 -1.57 120.40 114.73 3ihg s VAL 8 Ca -0.14 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3ihg s VAL 8 Cb 0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3ihg s VAL 8 CO 0.80 0.29 0.02 -0.22 0.00 0.00 0.00 175.10 175.98 3ihg s LEU 9 N 0.41 3.35 -0.12 3.92 2.96 -0.47 -1.69 118.68 127.05 3ihg s LEU 9 Ca -0.08 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3ihg s LEU 9 Cb -0.12 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3ihg s LEU 9 CO 0.01 0.06 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.32 3ihg s VAL 10 N 1.02 3.37 -0.26 1.68 1.01 0.04 -0.45 120.40 126.80 3ihg s VAL 10 Ca 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3ihg s VAL 10 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3ihg s VAL 10 CO 0.02 0.53 -0.04 -0.69 0.00 0.00 0.00 175.10 174.92 3ihg s VAL 11 N 0.08 2.90 0.00 2.92 1.01 -0.15 -1.24 120.40 125.93 3ihg s VAL 11 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3ihg s VAL 11 Cb -0.14 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3ihg s VAL 11 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3ihg n GLY 12 N 4.65 2.33 2.24 4.51 0.00 -0.33 -0.74 105.19 117.86 3ihg n GLY 12 Ca -0.15 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 3ihg n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg n ALA 13 N 1.97 4.59 -1.80 4.61 0.00 -1.26 -4.09 120.51 124.53 3ihg n ALA 13 Ca 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.75 3ihg n ALA 13 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3ihg n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 14 N -0.64 0.88 0.23 0.00 0.00 -1.26 -4.78 105.19 99.62 3ihg n GLY 14 Ca 0.36 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 3ihg n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ihg h LEU 15 N 0.00 0.65 -0.71 0.99 3.38 -1.93 -1.80 115.31 115.89 3ihg h LEU 15 Ca 0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3ihg h LEU 15 Cb 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3ihg h LEU 15 CO 0.00 1.00 0.33 1.23 0.09 0.00 0.00 178.44 181.09 3ihg h GLY 16 N 1.03 1.11 1.05 0.83 0.00 -1.89 -1.39 103.07 103.81 3ihg h GLY 16 Ca 0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 3ihg h GLY 16 CO 0.09 0.53 -0.42 -1.33 0.00 0.00 0.00 176.54 175.41 3ihg h GLY 17 N 1.00 0.86 1.75 4.60 0.00 -1.69 -2.59 103.07 107.00 3ihg h GLY 17 Ca 0.24 -0.95 -0.19 0.00 0.00 0.00 0.00 47.33 46.43 3ihg h GLY 17 CO -0.03 0.86 -0.85 1.41 0.00 0.00 0.00 176.54 177.93 3ihg h LEU 18 N 0.54 0.29 0.19 3.11 3.38 -1.29 -0.54 115.31 120.99 3ihg h LEU 18 Ca 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ihg h LEU 18 Cb 1.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3ihg h LEU 18 CO 0.10 1.01 -0.14 -1.28 0.09 0.00 0.00 178.44 178.22 3ihg h SER 19 N 0.13 -0.35 -0.59 -0.43 0.87 -1.34 0.84 113.55 112.68 3ihg h SER 19 Ca -0.04 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3ihg h SER 19 Cb 1.47 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.51 3ihg h SER 19 CO 0.13 -0.22 0.39 0.74 -0.53 0.00 0.00 176.83 177.34 3ihg h THR 20 N -0.33 1.15 -0.22 2.23 2.02 -1.21 -0.92 112.91 115.63 3ihg h THR 20 Ca -0.01 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3ihg h THR 20 Cb 0.29 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3ihg h THR 20 CO -0.00 0.15 0.02 0.00 0.37 0.00 0.00 175.52 176.06 3ihg h ALA 21 N 1.21 0.30 -0.28 6.16 0.00 -1.05 -1.40 119.26 124.19 3ihg h ALA 21 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ihg h ALA 21 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ihg h ALA 21 CO -0.05 -0.01 0.17 1.98 0.00 0.00 0.00 179.25 181.34 3ihg h MET 22 N 0.16 0.33 0.00 0.00 -1.53 -0.51 0.71 114.93 114.10 3ihg h MET 22 Ca 0.07 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.26 3ihg h MET 22 Cb 0.35 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.32 3ihg h MET 22 CO 0.01 0.22 -0.20 0.74 0.14 0.00 0.00 176.91 177.82 3ihg h PHE 23 N 0.34 0.00 -0.05 1.39 0.04 -1.18 -2.10 116.94 115.39 3ihg h PHE 23 Ca 0.11 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 3ihg h PHE 23 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3ihg h PHE 23 CO -0.08 0.20 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.48 3ihg h LEU 24 N 0.00 0.32 -0.96 1.54 3.38 -0.74 -3.32 115.31 115.54 3ihg h LEU 24 Ca -0.00 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 3ihg h LEU 24 Cb 0.77 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3ihg h LEU 24 CO 0.03 0.94 0.30 0.00 0.09 0.00 0.00 178.44 179.80 3ihg h ALA 25 N 0.39 1.18 -0.03 1.53 0.00 -0.78 -1.14 119.26 120.40 3ihg h ALA 25 Ca -0.02 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ihg h ALA 25 Cb 0.95 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ihg h ALA 25 CO 0.06 0.60 0.09 0.00 0.00 0.00 0.00 179.25 180.00 3ihg h ARG 26 N 1.03 0.00 -0.24 0.00 3.08 -1.47 -0.16 114.38 116.62 3ihg h ARG 26 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3ihg h ARG 26 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3ihg h ARG 26 CO -0.02 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.92 3ihg n GLN 27 N -3.28 2.37 -0.61 0.04 1.13 -0.47 -4.94 117.38 111.63 3ihg n GLN 27 Ca -0.02 -2.04 0.00 0.00 -1.94 0.00 0.00 57.00 53.00 3ihg n GLN 27 Cb 0.17 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3ihg n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ihg n GLY 28 N 1.42 0.67 3.74 1.08 0.00 -0.07 -5.05 105.19 106.98 3ihg n GLY 28 Ca 0.17 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3ihg n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihg s VAL 29 N -2.00 4.65 -0.44 1.61 1.01 -0.99 -5.01 120.40 119.23 3ihg s VAL 29 Ca 0.00 1.75 -0.28 0.00 0.00 0.00 0.00 61.98 63.45 3ihg s VAL 29 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3ihg s VAL 29 CO 0.00 0.36 1.47 -0.13 0.00 0.00 0.00 175.10 176.80 3ihg s ARG 30 N -0.09 3.47 -0.02 2.72 0.52 -1.26 -4.22 118.95 120.08 3ihg s ARG 30 Ca 0.41 0.89 0.03 0.00 -0.52 0.00 0.00 55.73 56.54 3ihg s ARG 30 Cb -0.21 -4.07 -0.00 0.00 0.52 0.00 0.00 34.95 31.18 3ihg s ARG 30 CO 0.25 -1.70 -0.11 0.54 0.02 0.00 0.00 175.30 174.30 3ihg s VAL 31 N 5.81 0.90 -0.12 3.52 0.11 -1.26 -1.06 120.40 128.30 3ihg s VAL 31 Ca 0.62 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 3ihg s VAL 31 Cb -0.14 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3ihg s VAL 31 CO 0.31 0.26 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.98 3ihg s LEU 32 N -0.06 1.70 0.01 2.54 2.96 -0.68 -2.82 118.68 122.33 3ihg s LEU 32 Ca 0.01 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 3ihg s LEU 32 Cb -0.07 -1.11 -0.06 0.00 0.50 0.00 0.00 46.19 45.46 3ihg s LEU 32 CO 0.00 -0.00 0.51 -0.69 -1.32 0.00 0.00 176.35 174.85 3ihg s VAL 33 N 1.12 4.92 0.11 1.68 1.01 -0.43 -0.78 120.40 128.03 3ihg s VAL 33 Ca -0.04 1.07 0.10 0.00 0.00 0.00 0.00 61.98 63.11 3ihg s VAL 33 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3ihg s VAL 33 CO -0.04 0.51 -0.26 0.68 0.00 0.00 0.00 175.10 175.99 3ihg s VAL 34 N -0.70 2.14 -0.08 2.92 -7.23 -0.37 -0.25 120.40 116.83 3ihg s VAL 34 Ca 0.27 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3ihg s VAL 34 Cb -0.18 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 34.92 3ihg s VAL 34 CO 0.16 0.12 0.17 -0.70 -0.31 0.00 0.00 175.10 174.54 3ihg s GLU 35 N -1.88 0.10 0.39 4.82 2.56 -0.63 -1.18 118.70 122.88 3ihg s GLU 35 Ca 0.12 0.47 0.12 0.00 0.00 0.00 0.00 54.97 55.69 3ihg s GLU 35 Cb -0.10 -0.18 0.79 0.00 2.00 0.00 0.00 34.13 36.64 3ihg s GLU 35 CO 0.05 -0.21 1.88 0.07 -0.56 0.00 0.00 175.26 176.49 3ihg h ARG 36 N 7.59 0.07 -7.13 4.30 0.11 -1.73 0.24 114.38 117.84 3ihg h ARG 36 Ca -0.33 -0.02 -0.50 0.00 0.10 0.00 0.00 59.98 59.23 3ihg h ARG 36 Cb 1.13 -0.01 0.07 0.00 1.11 0.00 0.00 29.97 32.28 3ihg h ARG 36 CO 0.32 0.34 0.40 1.03 0.10 0.00 0.00 179.97 182.16 3ihg s ARG 37 N -4.43 3.32 0.06 0.08 0.52 -1.26 -3.49 118.95 113.75 3ihg s ARG 37 Ca -0.04 1.44 0.18 0.00 -0.52 0.00 0.00 55.73 56.79 3ihg s ARG 37 Cb 0.15 -2.02 0.74 0.00 0.52 0.00 0.00 34.95 34.34 3ihg s ARG 37 CO 0.72 -0.85 1.55 -2.30 0.02 0.00 0.00 175.30 174.45 3ihg n PRO 38 N -1.61 0.05 -3.62 3.54 -0.02 -1.26 -0.78 135.00 131.29 3ihg n PRO 38 Ca 0.10 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3ihg n PRO 38 Cb 0.52 -1.59 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 3ihg n PRO 38 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ihg s GLY 39 N -3.13 -0.39 0.40 -1.23 0.00 -1.26 -4.74 107.32 96.97 3ihg s GLY 39 Ca 0.07 0.77 -0.27 0.00 0.00 0.00 0.00 44.72 45.29 3ihg s GLY 39 CO 0.32 0.16 1.48 1.08 0.00 0.00 0.00 173.10 176.14 3ihg s LEU 40 N -2.88 4.26 0.29 0.66 1.43 -1.26 -4.94 118.68 116.24 3ihg s LEU 40 Ca 0.13 3.03 -0.29 0.00 -1.03 0.00 0.00 54.13 55.97 3ihg s LEU 40 Cb 0.04 -3.74 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 3ihg s LEU 40 CO -0.04 -0.97 1.19 -0.55 0.23 0.00 0.00 176.35 176.22 3ihg s SER 41 N -0.23 7.06 0.00 2.29 0.15 -1.26 -4.94 113.70 116.76 3ihg s SER 41 Ca 0.55 2.44 0.27 0.00 0.70 0.00 0.00 55.95 59.91 3ihg s SER 41 Cb -0.46 -2.63 0.86 0.00 -1.71 0.00 0.00 66.02 62.07 3ihg s SER 41 CO 0.62 -0.32 1.66 -0.81 1.20 0.00 0.00 173.24 175.59 3ihg n PRO 42 N 1.15 0.01 -2.24 5.44 -0.04 -1.26 -4.60 135.00 133.46 3ihg n PRO 42 Ca -0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3ihg n PRO 42 Cb 0.44 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 3ihg n PRO 42 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ihg s TYR 43 N -3.00 3.25 0.17 0.54 2.02 -1.26 -4.73 117.35 114.34 3ihg s TYR 43 Ca 0.12 1.38 -0.14 0.00 -0.37 0.00 0.00 57.07 58.07 3ihg s TYR 43 Cb 0.18 -3.56 0.12 0.00 -0.40 0.00 0.00 41.96 38.30 3ihg s TYR 43 CO 0.62 -1.60 1.76 -1.00 -1.57 0.00 0.00 175.55 173.76 3ihg h PRO 44 N 4.39 0.38 0.00 -1.71 0.13 -1.96 -3.34 132.00 129.89 3ihg h PRO 44 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ihg h PRO 44 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ihg h PRO 44 CO 0.71 0.25 0.00 0.54 -0.23 0.00 0.00 178.00 179.27 3ihg n ARG 45 N -4.96 0.00 -2.88 0.86 1.74 -1.26 -1.27 116.66 108.88 3ihg n ARG 45 Ca 0.04 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 3ihg n ARG 45 Cb 0.15 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.55 3ihg n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ihg s ALA 46 N -1.17 3.39 0.11 7.54 0.00 -1.26 -4.75 121.76 125.63 3ihg s ALA 46 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.22 3ihg s ALA 46 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3ihg s ALA 46 CO 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 175.76 175.15 3ihg s ALA 47 N 1.55 1.77 0.00 0.00 0.00 -1.26 -1.34 121.76 122.49 3ihg s ALA 47 Ca 0.41 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3ihg s ALA 47 Cb -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3ihg s ALA 47 CO 0.17 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3ihg n GLY 48 N 0.88 0.18 3.19 0.00 0.00 -0.39 -4.95 105.19 104.11 3ihg n GLY 48 Ca -0.18 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 3ihg n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ihg s GLN 49 N -5.15 3.12 0.80 1.61 1.11 0.15 -4.74 119.66 116.56 3ihg s GLN 49 Ca 0.00 -0.77 -0.10 0.00 0.01 0.00 0.00 55.36 54.50 3ihg s GLN 49 Cb 0.00 -2.67 0.11 0.00 -1.01 0.00 0.00 33.01 29.44 3ihg s GLN 49 CO 0.00 -0.15 1.13 0.54 0.01 0.00 0.00 175.29 176.82 3ihg s ASN 50 N 1.21 4.25 0.47 5.90 2.20 -1.26 -1.71 114.94 126.00 3ihg s ASN 50 Ca 0.02 0.38 0.23 0.00 -0.94 0.00 0.00 52.86 52.56 3ihg s ASN 50 Cb -0.14 -0.81 1.19 0.00 -2.00 0.00 0.00 41.25 39.49 3ihg s ASN 50 CO -0.07 -1.99 1.98 -0.65 -2.94 0.00 0.00 177.10 173.42 3ihg h PRO 51 N -0.96 0.00 -0.28 3.55 0.11 -1.87 0.17 132.00 132.71 3ihg h PRO 51 Ca -0.44 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 3ihg h PRO 51 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ihg h PRO 51 CO 0.53 0.19 -0.34 -0.09 -0.21 0.00 0.00 178.00 178.09 3ihg h ARG 52 N 0.00 0.72 -0.67 1.05 9.65 -1.86 -1.86 114.38 121.41 3ihg h ARG 52 Ca -0.00 -0.40 0.02 0.00 -1.10 0.00 0.00 59.98 58.50 3ihg h ARG 52 Cb 0.46 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 3ihg h ARG 52 CO 0.02 1.02 0.43 1.15 2.80 0.00 0.00 179.97 185.39 3ihg h THR 53 N 0.46 1.11 -0.32 0.20 2.02 -1.75 -2.59 112.91 112.04 3ihg h THR 53 Ca 0.04 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3ihg h THR 53 Cb 0.92 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3ihg h THR 53 CO 0.08 0.15 0.07 0.24 0.37 0.00 0.00 175.52 176.44 3ihg h MET 54 N 0.84 0.46 -0.67 6.66 2.86 -0.86 0.14 114.93 124.37 3ihg h MET 54 Ca 0.27 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 3ihg h MET 54 Cb -0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3ihg h MET 54 CO -0.10 0.44 0.21 0.93 1.06 0.00 0.00 176.91 179.45 3ihg h GLU 55 N 0.46 1.03 0.21 1.72 5.08 -0.94 0.07 114.58 122.21 3ihg h GLU 55 Ca 0.11 -0.21 -0.28 0.00 -1.00 0.00 0.00 59.36 57.98 3ihg h GLU 55 Cb 0.19 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 29.31 3ihg h GLU 55 CO -0.00 0.88 -1.23 -0.07 -1.00 0.00 0.00 179.01 177.58 3ihg h LEU 56 N 0.99 0.70 -1.92 1.33 3.38 -1.20 -2.40 115.31 116.19 3ihg h LEU 56 Ca 0.22 -0.93 0.03 0.00 0.09 0.00 0.00 57.88 57.29 3ihg h LEU 56 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ihg h LEU 56 CO -0.01 1.59 0.13 -0.07 0.09 0.00 0.00 178.44 180.18 3ihg h LEU 57 N -0.06 0.09 0.20 1.67 3.38 -0.69 0.27 115.31 120.18 3ihg h LEU 57 Ca -0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3ihg h LEU 57 Cb 1.96 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3ihg h LEU 57 CO 0.22 0.06 -0.10 -0.09 0.09 0.00 0.00 178.44 178.63 3ihg h ARG 58 N 0.10 -0.26 -0.97 1.13 2.43 -0.95 -2.22 114.38 113.64 3ihg h ARG 58 Ca 0.08 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.49 3ihg h ARG 58 Cb 0.20 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.69 3ihg h ARG 58 CO -0.01 0.04 0.54 0.82 -1.51 0.00 0.00 179.97 179.85 3ihg h ILE 59 N -0.57 0.58 0.00 1.20 2.04 -0.84 -0.59 117.51 119.32 3ihg h ILE 59 Ca -0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3ihg h ILE 59 Cb 0.42 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3ihg h ILE 59 CO 0.05 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.91 3ihg n GLY 60 N -1.32 -1.09 2.21 5.37 0.00 0.02 -4.90 105.19 105.47 3ihg n GLY 60 Ca 0.24 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 3ihg n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihg n GLY 61 N 0.98 0.81 0.50 -0.02 0.00 -0.23 -4.91 105.19 102.32 3ihg n GLY 61 Ca 0.17 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.59 3ihg n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ihg n VAL 62 N -2.79 0.29 -0.25 1.61 0.24 -0.87 -4.71 118.33 111.85 3ihg n VAL 62 Ca -0.06 -0.64 -0.06 0.00 -2.04 0.00 0.00 64.34 61.54 3ihg n VAL 62 Cb 0.21 1.02 0.05 0.00 -1.47 0.00 0.00 33.84 33.65 3ihg n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ihg h ALA 63 N 2.13 0.87 -0.46 2.33 0.00 -1.79 -0.31 119.26 122.04 3ihg h ALA 63 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ihg h ALA 63 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ihg h ALA 63 CO 0.00 0.34 0.03 -0.44 0.00 0.00 0.00 179.25 179.18 3ihg h ASP 64 N 0.93 0.70 -0.07 0.00 3.32 -1.91 -1.25 116.42 118.14 3ihg h ASP 64 Ca 0.25 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 3ihg h ASP 64 Cb -0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3ihg h ASP 64 CO -0.05 0.75 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.54 3ihg h GLU 65 N 0.70 0.56 -0.58 3.56 5.08 -1.80 -2.45 114.58 119.65 3ihg h GLU 65 Ca 0.14 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3ihg h GLU 65 Cb 0.39 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3ihg h GLU 65 CO 0.01 0.83 0.28 0.28 -1.00 0.00 0.00 179.01 179.42 3ihg h VAL 66 N 0.48 1.21 -0.05 3.13 2.07 -0.69 -2.46 116.25 119.93 3ihg h VAL 66 Ca 0.05 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 3ihg h VAL 66 Cb 0.83 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3ihg h VAL 66 CO 0.07 0.24 -0.40 0.58 0.02 0.00 0.00 177.57 178.07 3ihg h VAL 67 N 0.79 1.30 0.00 2.57 2.07 -1.17 -3.02 116.25 118.80 3ihg h VAL 67 Ca 0.20 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3ihg h VAL 67 Cb 0.11 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3ihg h VAL 67 CO -0.03 0.42 -0.03 0.03 0.02 0.00 0.00 177.57 177.98 3ihg h ARG 68 N 0.09 0.00 -7.44 1.57 3.08 -1.25 -3.47 114.38 106.97 3ihg h ARG 68 Ca 0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3ihg h ARG 68 Cb 0.76 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.89 3ihg h ARG 68 CO 0.06 0.00 0.39 0.00 -1.07 0.00 0.00 179.97 179.34 3ihg s ALA 69 N -3.19 2.68 0.15 0.04 0.00 -0.94 -4.98 121.76 115.51 3ihg s ALA 69 Ca 0.07 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 3ihg s ALA 69 Cb 0.07 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 3ihg s ALA 69 CO 0.66 -1.31 1.44 -0.51 0.00 0.00 0.00 175.76 176.04 3ihg s ASP 70 N -4.15 6.74 0.20 0.00 1.01 -1.26 -4.99 116.67 114.22 3ihg s ASP 70 Ca 0.59 2.47 0.01 0.00 0.71 0.00 0.00 52.55 56.33 3ihg s ASP 70 Cb -0.12 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.23 3ihg s ASP 70 CO 0.53 -0.70 0.12 -0.90 0.21 0.00 0.00 175.17 174.43 3ihg n ASP 71 N 3.63 1.86 -0.57 0.27 5.68 -1.26 -4.55 116.55 121.60 3ihg n ASP 71 Ca 0.11 -1.74 0.11 0.00 -0.50 0.00 0.00 54.79 52.77 3ihg n ASP 71 Cb 0.41 0.02 0.01 0.00 -1.14 0.00 0.00 41.12 40.42 3ihg n ASP 71 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3ihg n ILE 72 N -0.86 0.00 -0.93 2.12 -5.35 0.35 -4.10 119.36 110.59 3ihg n ILE 72 Ca -0.02 -0.31 -0.32 0.00 -0.27 0.00 0.00 62.75 61.83 3ihg n ILE 72 Cb 0.24 1.30 0.14 0.00 -1.74 0.00 0.00 39.64 39.57 3ihg n ILE 72 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3ihg s ARG 73 N -2.34 1.43 1.24 6.28 0.52 -1.26 -4.58 118.95 120.23 3ihg s ARG 73 Ca 0.20 1.54 -0.20 0.00 -0.52 0.00 0.00 55.73 56.75 3ihg s ARG 73 Cb 0.18 -1.77 0.30 0.00 0.52 0.00 0.00 34.95 34.18 3ihg s ARG 73 CO 0.51 -2.33 1.08 0.20 0.02 0.00 0.00 175.30 174.78 3ihg s GLY 74 N -2.65 1.56 0.54 -3.53 0.00 -0.88 -4.82 107.32 97.53 3ihg s GLY 74 Ca 0.67 -0.93 0.35 0.00 0.00 0.00 0.00 44.72 44.81 3ihg s GLY 74 CO 0.55 -0.02 2.05 -0.91 0.00 0.00 0.00 173.10 174.76 3ihg h THR 75 N -2.73 0.00 -0.34 0.90 1.35 -1.96 0.73 112.91 110.86 3ihg h THR 75 Ca -0.45 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3ihg h THR 75 Cb 1.30 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3ihg h THR 75 CO 0.33 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.60 3ihg n GLN 76 N -2.94 2.41 -3.10 4.72 6.02 -1.26 -4.91 117.38 118.31 3ihg n GLN 76 Ca -0.00 -1.49 -0.23 0.00 -0.01 0.00 0.00 57.00 55.27 3ihg n GLN 76 Cb 0.22 -1.58 0.04 0.00 1.02 0.00 0.00 30.24 29.94 3ihg n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ihg n GLY 77 N 0.74 -0.52 3.36 1.08 0.00 0.25 -4.99 105.19 105.11 3ihg n GLY 77 Ca 0.13 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 3ihg n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihg s ASP 78 N -2.76 1.74 -0.27 1.61 2.15 -1.26 -4.85 116.67 113.03 3ihg s ASP 78 Ca 0.34 -1.33 -0.15 0.00 0.43 0.00 0.00 52.55 51.83 3ihg s ASP 78 Cb -0.15 0.04 0.08 0.00 -0.30 0.00 0.00 42.92 42.59 3ihg s ASP 78 CO 0.42 -0.63 0.65 0.12 -0.17 0.00 0.00 175.17 175.56 3ihg s PHE 79 N -3.52 -1.02 0.12 -5.34 5.36 -1.25 -2.06 117.98 110.27 3ihg s PHE 79 Ca 0.35 2.04 0.10 0.00 -0.96 0.00 0.00 56.93 58.45 3ihg s PHE 79 Cb 0.08 0.60 -0.04 0.00 -0.34 0.00 0.00 43.02 43.31 3ihg s PHE 79 CO 0.13 -0.51 -0.25 0.54 -1.46 0.00 0.00 175.22 173.67 3ihg s VAL 80 N 1.64 2.06 -0.13 3.12 0.11 -0.38 -2.53 120.40 124.29 3ihg s VAL 80 Ca -0.10 -1.69 0.01 0.00 -2.93 0.00 0.00 61.98 57.27 3ihg s VAL 80 Cb -0.06 -1.84 0.02 0.00 -1.53 0.00 0.00 36.38 32.97 3ihg s VAL 80 CO -0.19 0.03 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.82 3ihg s ILE 81 N -1.12 1.59 0.01 7.04 1.01 -0.16 -1.09 121.20 128.48 3ihg s ILE 81 Ca 0.11 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 3ihg s ILE 81 Cb -0.10 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 3ihg s ILE 81 CO 0.05 0.46 0.13 -0.13 0.00 0.00 0.00 174.94 175.45 3ihg s ARG 82 N 1.13 0.50 -0.24 2.79 0.52 -0.66 -0.45 118.95 122.54 3ihg s ARG 82 Ca -0.03 -0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.57 3ihg s ARG 82 Cb -0.14 0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 3ihg s ARG 82 CO -0.05 -0.12 0.36 -0.51 0.02 0.00 0.00 175.30 175.00 3ihg s LEU 83 N -1.52 4.10 0.20 2.53 1.02 0.35 -0.41 118.68 124.95 3ihg s LEU 83 Ca -0.13 0.36 -0.05 0.00 0.02 0.00 0.00 54.13 54.32 3ihg s LEU 83 Cb -0.07 -2.42 -0.03 0.00 0.02 0.00 0.00 46.19 43.70 3ihg s LEU 83 CO 0.00 -0.11 0.24 0.00 0.02 0.00 0.00 176.35 176.51 3ihg s ALA 84 N 1.62 0.59 0.05 4.21 0.00 -0.67 0.85 121.76 128.42 3ihg s ALA 84 Ca 0.16 -1.34 0.09 0.00 0.00 0.00 0.00 51.96 50.87 3ihg s ALA 84 Cb -0.15 1.18 -0.21 0.00 0.00 0.00 0.00 23.12 23.94 3ihg s ALA 84 CO 0.08 -0.66 1.05 0.93 0.00 0.00 0.00 175.76 177.16 3ihg h GLU 85 N 2.54 0.00 -3.51 0.00 5.08 -1.73 -0.14 114.58 116.81 3ihg h GLU 85 Ca -0.33 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 3ihg h GLU 85 Cb 1.24 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 3ihg h GLU 85 CO 0.48 0.79 -0.14 -1.54 -1.00 0.00 0.00 179.01 177.61 3ihg s SER 86 N -6.46 -0.14 0.02 1.42 1.04 -1.26 -3.77 113.70 104.54 3ihg s SER 86 Ca -0.01 -0.47 -0.23 0.00 0.48 0.00 0.00 55.95 55.73 3ihg s SER 86 Cb 0.09 0.46 -0.13 0.00 0.10 0.00 0.00 66.02 66.55 3ihg s SER 86 CO 0.82 -0.87 1.14 0.58 0.98 0.00 0.00 173.24 175.89 3ihg h VAL 87 N 2.42 0.00 -2.01 5.02 2.07 -1.24 -3.31 116.25 119.21 3ihg h VAL 87 Ca -0.33 -0.15 -0.72 0.00 0.82 0.00 0.00 66.70 66.33 3ihg h VAL 87 Cb 1.24 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.85 3ihg h VAL 87 CO 0.47 0.00 1.37 0.00 0.02 0.00 0.00 177.57 179.43 3ihg s ARG 88 N -4.48 3.96 0.00 1.57 1.70 -1.26 -4.79 118.95 115.66 3ihg s ARG 88 Ca -0.12 -2.30 0.00 0.00 -0.47 0.00 0.00 55.73 52.84 3ihg s ARG 88 Cb 0.01 -5.11 0.00 0.00 -0.57 0.00 0.00 34.95 29.29 3ihg s ARG 88 CO 0.36 -1.85 0.00 0.41 -1.08 0.00 0.00 175.30 173.14 3ihg n GLY 89 N 4.64 1.50 3.71 3.88 0.00 -1.25 -4.88 105.19 112.81 3ihg n GLY 89 Ca 0.36 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3ihg n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihg s GLU 90 N 1.00 4.16 -0.26 1.61 8.01 -1.26 -4.98 118.70 126.98 3ihg s GLU 90 Ca 0.00 -0.23 -0.29 0.00 0.01 0.00 0.00 54.97 54.46 3ihg s GLU 90 Cb 0.00 -3.44 -0.01 0.00 -4.31 0.00 0.00 34.13 26.37 3ihg s GLU 90 CO 0.00 0.25 1.42 0.42 0.01 0.00 0.00 175.26 177.36 3ihg s ILE 91 N 0.49 3.98 0.15 -1.63 1.01 -1.26 -3.82 121.20 120.12 3ihg s ILE 91 Ca 0.08 1.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.72 3ihg s ILE 91 Cb -0.11 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.39 3ihg s ILE 91 CO -0.01 -0.39 1.58 -0.07 0.00 0.00 0.00 174.94 176.05 3ihg h LEU 92 N 11.12 0.92 -7.00 2.97 3.38 0.11 -3.47 115.31 123.34 3ihg h LEU 92 Ca -0.29 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 3ihg h LEU 92 Cb 1.12 -0.25 -0.22 0.00 0.09 0.00 0.00 40.66 41.40 3ihg h LEU 92 CO 1.02 1.05 0.26 -0.60 0.09 0.00 0.00 178.44 180.25 3ihg s ARG 93 N -4.87 0.76 -0.31 1.13 3.52 -0.93 -4.99 118.95 113.25 3ihg s ARG 93 Ca -0.12 0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 56.11 3ihg s ARG 93 Cb 0.12 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 3ihg s ARG 93 CO 0.84 -0.13 0.18 0.99 -0.81 0.00 0.00 175.30 176.38 3ihg s THR 94 N 0.03 4.92 -0.07 4.11 2.01 -1.26 -0.50 115.64 124.89 3ihg s THR 94 Ca -0.01 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 3ihg s THR 94 Cb -0.04 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 3ihg s THR 94 CO 0.00 0.08 0.45 0.58 -0.69 0.00 0.00 174.62 175.04 3ihg h VAL 95 N 5.55 0.32 -3.20 3.82 2.07 -1.12 -3.45 116.25 120.24 3ihg h VAL 95 Ca -0.33 -1.00 -0.63 0.00 0.82 0.00 0.00 66.70 65.56 3ihg h VAL 95 Cb 1.16 0.56 -0.35 0.00 -1.52 0.00 0.00 31.29 31.15 3ihg h VAL 95 CO 0.61 0.09 -0.85 -0.55 0.02 0.00 0.00 177.57 176.89 3ihg s SER 96 N -5.38 2.78 0.18 0.57 0.15 -0.96 -4.97 113.70 106.07 3ihg s SER 96 Ca -0.07 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.04 3ihg s SER 96 Cb 0.00 -1.27 0.07 0.00 -1.71 0.00 0.00 66.02 63.12 3ihg s SER 96 CO 0.23 0.03 1.45 -0.08 1.20 0.00 0.00 173.24 176.07 3ihg h GLU 97 N 7.52 0.45 0.00 5.44 4.57 -1.86 -0.39 114.58 130.31 3ihg h GLU 97 Ca -0.34 -0.34 -0.16 0.00 -1.18 0.00 0.00 59.36 57.34 3ihg h GLU 97 Cb 1.17 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.79 3ihg h GLU 97 CO 0.53 0.97 0.03 -1.13 -1.18 0.00 0.00 179.01 178.23 3ihg n SER 98 N -3.88 -1.59 0.07 1.04 3.41 -1.26 -4.73 113.62 106.67 3ihg n SER 98 Ca -0.04 -2.60 -0.21 0.00 -0.26 0.00 0.00 58.87 55.76 3ihg n SER 98 Cb 0.68 2.79 -0.15 0.00 -0.26 0.00 0.00 64.21 67.27 3ihg n SER 98 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3ihg h PHE 99 N 1.91 0.62 -0.46 7.33 3.57 -1.82 -2.88 116.94 125.21 3ihg h PHE 99 Ca -0.27 -0.45 0.09 0.00 3.53 0.00 0.00 57.97 60.87 3ihg h PHE 99 Cb 1.09 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3ihg h PHE 99 CO 0.00 1.36 0.31 -0.44 -2.23 0.00 0.00 178.31 177.31 3ihg h ASP 100 N -0.29 0.22 1.28 0.41 3.32 -1.90 -0.61 116.42 118.85 3ihg h ASP 100 Ca -0.17 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 3ihg h ASP 100 Cb 1.73 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 3ihg h ASP 100 CO 0.17 0.13 -0.74 0.44 -1.72 0.00 0.00 179.24 177.53 3ihg h ASP 101 N 0.24 0.00 -0.11 6.45 5.19 -1.98 -1.78 116.42 124.44 3ihg h ASP 101 Ca 0.21 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 3ihg h ASP 101 Cb 0.51 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 3ihg h ASP 101 CO -0.04 0.64 -0.05 -0.03 -3.12 0.00 0.00 179.24 176.64 3ihg h MET 102 N 0.00 0.23 -0.65 3.56 4.05 -0.90 -2.80 114.93 118.42 3ihg h MET 102 Ca -0.03 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 3ihg h MET 102 Cb 1.51 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.27 3ihg h MET 102 CO 0.08 0.57 0.26 0.28 0.23 0.00 0.00 176.91 178.33 3ihg h VAL 103 N -0.12 1.24 -0.54 -5.77 2.07 -1.40 -2.97 116.25 108.76 3ihg h VAL 103 Ca 0.02 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 66.89 3ihg h VAL 103 Cb 0.50 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3ihg h VAL 103 CO 0.02 0.30 0.36 0.00 0.02 0.00 0.00 177.57 178.27 3ihg h ALA 104 N 1.11 2.07 -0.30 1.67 0.00 -1.26 -2.15 119.26 120.40 3ihg h ALA 104 Ca 0.22 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ihg h ALA 104 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ihg h ALA 104 CO -0.02 -0.19 0.20 0.00 0.00 0.00 0.00 179.25 179.24 3ihg h ALA 105 N 1.73 1.97 0.00 0.00 0.00 -1.32 -3.15 119.26 118.48 3ihg h ALA 105 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ihg h ALA 105 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ihg h ALA 105 CO -0.06 -0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.42 3ihg n THR 106 N -4.49 0.00 -0.35 0.00 -2.24 -0.99 -4.77 114.28 101.44 3ihg n THR 106 Ca 0.03 -0.45 0.28 0.00 -2.27 0.00 0.00 64.05 61.64 3ihg n THR 106 Cb 0.19 1.06 0.54 0.00 -2.10 0.00 0.00 70.33 70.02 3ihg n THR 106 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ihg h GLU 107 N 0.00 0.21 0.00 -0.78 4.22 -1.36 0.21 114.58 117.09 3ihg h GLU 107 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3ihg h GLU 107 Cb 0.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ihg h GLU 107 CO 0.00 0.14 0.00 -0.35 -2.18 0.00 0.00 179.01 176.62 3ihg n PRO 108 N -4.99 0.33 -0.09 0.92 -0.04 -1.26 -2.95 135.00 126.93 3ihg n PRO 108 Ca 0.34 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 3ihg n PRO 108 Cb 1.13 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 33.17 3ihg n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ihg s THR 110 N -1.24 0.00 -0.24 0.00 -1.32 -1.11 -4.38 115.64 107.37 3ihg s THR 110 Ca 0.13 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.79 3ihg s THR 110 Cb 0.08 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.15 3ihg s THR 110 CO 0.06 0.00 1.28 1.55 -2.21 0.00 0.00 174.62 175.30 3ihg h PRO 111 N 3.53 0.00 -7.34 7.08 0.13 -1.91 -3.40 132.00 130.08 3ihg h PRO 111 Ca -0.24 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.39 3ihg h PRO 111 Cb 1.17 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.43 3ihg h PRO 111 CO 0.20 0.24 0.29 0.00 -0.23 0.00 0.00 178.00 178.50 3ihg s ALA 112 N -3.09 1.89 0.00 -0.56 0.00 -1.26 -5.06 121.76 113.68 3ihg s ALA 112 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3ihg s ALA 112 Cb 0.08 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3ihg s ALA 112 CO 0.75 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3ihg n GLY 113 N -1.34 5.30 3.76 0.00 0.00 -1.26 -4.86 105.19 106.79 3ihg n GLY 113 Ca 0.08 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 3ihg n GLY 113 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ihg s TRP 114 N 2.86 3.11 0.34 1.61 0.52 -1.26 -2.97 118.94 123.15 3ihg s TRP 114 Ca 0.00 0.01 0.09 0.00 0.02 0.00 0.00 56.10 56.22 3ihg s TRP 114 Cb 0.00 -1.55 -0.07 0.00 -1.15 0.00 0.00 33.47 30.70 3ihg s TRP 114 CO 0.00 0.51 -0.08 0.00 0.02 0.00 0.00 176.95 177.40 3ihg s ALA 115 N -1.50 2.88 -0.16 0.98 0.00 -0.69 -4.98 121.76 118.28 3ihg s ALA 115 Ca 0.29 -2.08 0.20 0.00 0.00 0.00 0.00 51.96 50.37 3ihg s ALA 115 Cb -0.11 0.02 0.46 0.00 0.00 0.00 0.00 23.12 23.48 3ihg s ALA 115 CO 0.21 0.04 1.16 -1.33 0.00 0.00 0.00 175.76 175.84 3ihg n MET 116 N -0.78 1.30 -2.59 0.00 0.00 -1.26 -0.68 117.12 113.12 3ihg n MET 116 Ca -0.05 -2.98 -0.35 0.00 0.00 0.00 0.00 57.70 54.32 3ihg n MET 116 Cb 0.64 -1.08 -0.04 0.00 0.00 0.00 0.00 33.22 32.73 3ihg n MET 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3ihg s LEU 117 N -2.21 3.98 0.75 4.03 1.43 -1.26 -0.50 118.68 124.91 3ihg s LEU 117 Ca 0.35 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 3ihg s LEU 117 Cb 0.37 -4.40 0.04 0.00 0.03 0.00 0.00 46.19 42.23 3ihg s LEU 117 CO -0.08 -0.60 1.09 -0.94 0.23 0.00 0.00 176.35 176.04 3ihg s SER 118 N -1.84 4.89 0.38 2.29 1.04 -1.26 -1.26 113.70 117.94 3ihg s SER 118 Ca 0.63 1.36 0.14 0.00 0.48 0.00 0.00 55.95 58.56 3ihg s SER 118 Cb -0.18 -2.15 0.96 0.00 0.10 0.00 0.00 66.02 64.75 3ihg s SER 118 CO 0.22 -1.72 1.84 -0.61 0.98 0.00 0.00 173.24 173.95 3ihg h GLN 119 N -0.92 0.52 0.00 4.02 4.15 0.12 -1.26 115.11 121.75 3ihg h GLN 119 Ca -0.46 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3ihg h GLN 119 Cb 1.25 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.82 3ihg h GLN 119 CO 0.59 0.34 0.00 0.38 -1.93 0.00 0.00 178.83 178.22 3ihg h ASP 120 N 0.54 0.00 0.33 -0.69 2.03 -1.74 -1.39 116.42 115.49 3ihg h ASP 120 Ca 0.49 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.46 3ihg h ASP 120 Cb 1.04 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.53 3ihg h ASP 120 CO -0.23 0.00 -1.67 0.11 -1.03 0.00 0.00 179.24 176.42 3ihg h LYS 121 N 0.00 0.29 -0.08 4.15 1.79 -1.63 -3.38 116.57 117.71 3ihg h LYS 121 Ca 0.00 -0.50 -0.23 0.00 -2.18 0.00 0.00 60.65 57.74 3ihg h LYS 121 Cb 0.75 0.19 0.01 0.00 -1.58 0.00 0.00 32.23 31.59 3ihg h LYS 121 CO 0.00 1.16 -0.88 1.25 -1.08 0.00 0.00 179.45 179.91 3ihg h LEU 122 N 0.08 0.84 0.19 2.94 5.85 -1.03 -3.26 115.31 120.92 3ihg h LEU 122 Ca -0.30 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 57.82 3ihg h LEU 122 Cb 2.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 3ihg h LEU 122 CO 0.16 1.40 -0.20 -0.33 -0.34 0.00 0.00 178.44 179.12 3ihg h GLU 123 N 0.44 -0.41 -0.90 1.25 5.08 -1.48 -1.86 114.58 116.69 3ihg h GLU 123 Ca -0.08 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.54 3ihg h GLU 123 Cb 1.51 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 3ihg h GLU 123 CO 0.17 -0.27 0.62 -1.35 -1.00 0.00 0.00 179.01 177.18 3ihg h PRO 124 N -0.43 0.21 -0.19 2.33 0.11 -1.74 0.17 132.00 132.46 3ihg h PRO 124 Ca 0.00 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.89 3ihg h PRO 124 Cb 0.41 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.47 3ihg h PRO 124 CO -0.06 0.14 -0.69 0.82 -0.21 0.00 0.00 178.00 178.01 3ihg h ILE 125 N 0.22 1.28 -0.15 4.15 2.04 -1.41 -2.05 117.51 121.58 3ihg h ILE 125 Ca 0.46 -1.89 0.01 0.00 1.00 0.00 0.00 64.86 64.44 3ihg h ILE 125 Cb 1.43 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3ihg h ILE 125 CO -0.11 0.60 0.08 -0.07 0.00 0.00 0.00 178.15 178.65 3ihg h LEU 126 N 0.54 0.11 -0.46 1.44 3.38 -0.45 -2.83 115.31 117.05 3ihg h LEU 126 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3ihg h LEU 126 Cb 1.31 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 3ihg h LEU 126 CO 0.15 0.09 0.14 0.25 0.09 0.00 0.00 178.44 179.15 3ihg h LEU 127 N 0.16 0.68 -1.35 1.67 5.85 -0.72 -1.36 115.31 120.25 3ihg h LEU 127 Ca 0.06 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3ihg h LEU 127 Cb 0.01 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3ihg h LEU 127 CO -0.04 0.71 0.53 0.00 -0.34 0.00 0.00 178.44 179.30 3ihg h ALA 128 N 1.00 1.80 0.03 1.25 0.00 -1.38 -1.34 119.26 120.61 3ihg h ALA 128 Ca 0.15 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 3ihg h ALA 128 Cb 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ihg h ALA 128 CO -0.00 0.01 -1.22 0.37 0.00 0.00 0.00 179.25 178.40 3ihg h GLN 129 N 0.70 0.06 -0.46 0.00 5.75 -1.10 -1.88 115.11 118.18 3ihg h GLN 129 Ca 0.39 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3ihg h GLN 129 Cb 0.54 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3ihg h GLN 129 CO -0.16 0.94 0.29 0.00 -2.65 0.00 0.00 178.83 177.26 3ihg h ALA 130 N 0.89 0.58 -0.15 3.38 0.00 -1.01 -2.15 119.26 120.81 3ihg h ALA 130 Ca -0.10 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3ihg h ALA 130 Cb 1.87 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3ihg h ALA 130 CO 0.13 0.05 -0.57 0.00 0.00 0.00 0.00 179.25 178.86 3ihg h ARG 131 N 0.62 0.45 -0.30 0.00 3.08 -1.10 0.47 114.38 117.60 3ihg h ARG 131 Ca 0.17 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 3ihg h ARG 131 Cb -0.04 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3ihg h ARG 131 CO -0.03 0.90 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.37 3ihg h LYS 132 N 0.35 0.53 -0.21 0.04 3.64 -1.26 -1.65 116.57 118.01 3ihg h LYS 132 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3ihg h LYS 132 Cb 1.09 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3ihg h LYS 132 CO 0.10 0.68 0.00 0.72 -2.27 0.00 0.00 179.45 178.68 3ihg n HIS 133 N -4.17 0.27 0.00 1.91 8.25 -0.82 -4.92 115.22 115.75 3ihg n HIS 133 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3ihg n HIS 133 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3ihg n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ihg n GLY 134 N 0.88 0.60 3.67 -1.41 0.00 -0.62 -4.60 105.19 103.71 3ihg n GLY 134 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3ihg n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ihg s GLY 135 N -0.93 1.59 0.09 -0.02 0.00 0.09 -4.76 107.32 103.38 3ihg s GLY 135 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.41 3ihg s GLY 135 CO 0.00 0.38 0.28 0.00 0.00 0.00 0.00 173.10 173.76 3ihg s ALA 136 N -2.89 -0.56 -0.03 3.20 0.00 -1.13 -4.24 121.76 116.11 3ihg s ALA 136 Ca 0.65 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 3ihg s ALA 136 Cb -0.19 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.45 3ihg s ALA 136 CO 0.58 -0.53 0.17 -1.50 0.00 0.00 0.00 175.76 174.49 3ihg s ILE 137 N -3.53 0.05 -0.18 0.00 2.07 -1.26 -1.31 121.20 117.04 3ihg s ILE 137 Ca 0.02 -0.39 -0.00 0.00 -1.41 0.00 0.00 60.65 58.87 3ihg s ILE 137 Cb 0.03 -0.38 0.04 0.00 0.13 0.00 0.00 42.46 42.28 3ihg s ILE 137 CO -0.10 -0.21 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.54 3ihg s ARG 138 N -0.77 1.45 0.77 3.50 0.52 0.66 -4.93 118.95 120.15 3ihg s ARG 138 Ca -0.09 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.42 3ihg s ARG 138 Cb -0.05 -2.11 0.05 0.00 0.52 0.00 0.00 34.95 33.36 3ihg s ARG 138 CO 0.01 -0.47 1.14 -0.06 0.02 0.00 0.00 175.30 175.95 3ihg s PHE 139 N 1.60 3.10 -1.96 -0.53 0.08 -1.26 -1.61 117.98 117.40 3ihg s PHE 139 Ca -0.00 0.89 0.00 0.00 0.12 0.00 0.00 56.93 57.93 3ihg s PHE 139 Cb -0.16 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 3ihg s PHE 139 CO -0.08 -1.54 0.00 0.41 -0.10 0.00 0.00 175.22 173.92 3ihg n GLY 140 N -3.14 1.33 3.20 4.36 0.00 0.04 -4.82 105.19 106.15 3ihg n GLY 140 Ca 0.07 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3ihg n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ihg s THR 141 N -2.78 2.34 -0.06 2.61 2.01 -0.37 -4.14 115.64 115.25 3ihg s THR 141 Ca 0.00 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.18 3ihg s THR 141 Cb 0.00 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 3ihg s THR 141 CO 0.00 0.53 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.63 3ihg s ARG 142 N 0.98 2.38 -0.09 4.92 3.52 0.35 -2.11 118.95 128.90 3ihg s ARG 142 Ca -0.02 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 3ihg s ARG 142 Cb -0.15 -1.99 -0.03 0.00 -1.56 0.00 0.00 34.95 31.22 3ihg s ARG 142 CO -0.04 0.31 1.35 -1.17 -0.81 0.00 0.00 175.30 174.93 3ihg s LEU 143 N -0.02 4.25 -0.16 -0.88 2.96 -1.26 0.19 118.68 123.76 3ihg s LEU 143 Ca -0.06 1.89 -0.14 0.00 -0.22 0.00 0.00 54.13 55.60 3ihg s LEU 143 Cb -0.14 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 3ihg s LEU 143 CO 0.04 -0.75 0.29 0.18 -1.32 0.00 0.00 176.35 174.79 3ihg n LEU 144 N 6.19 2.24 -3.79 -0.68 4.77 0.63 -4.91 117.00 121.45 3ihg n LEU 144 Ca 0.14 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.43 3ihg n LEU 144 Cb 0.44 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3ihg n LEU 144 CO 0.57 0.56 0.89 -0.94 -1.33 0.00 0.00 177.39 177.15 3ihg s SER 145 N -6.96 -0.06 0.05 -1.43 1.04 -1.21 -5.01 113.70 100.12 3ihg s SER 145 Ca -0.26 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.63 3ihg s SER 145 Cb 0.06 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3ihg s SER 145 CO 0.68 -0.69 0.33 0.72 0.98 0.00 0.00 173.24 175.26 3ihg s PHE 146 N -2.53 -0.14 0.13 5.02 -0.12 -1.26 -0.12 117.98 118.96 3ihg s PHE 146 Ca 0.18 -0.01 0.10 0.00 -0.05 0.00 0.00 56.93 57.15 3ihg s PHE 146 Cb -0.00 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 3ihg s PHE 146 CO 0.01 -0.54 -0.25 1.03 -0.05 0.00 0.00 175.22 175.42 3ihg s ARG 147 N -2.74 1.34 0.17 1.99 0.52 0.61 -4.97 118.95 115.87 3ihg s ARG 147 Ca -0.04 -1.32 0.06 0.00 -0.52 0.00 0.00 55.73 53.91 3ihg s ARG 147 Cb -0.00 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 3ihg s ARG 147 CO -0.04 0.42 0.08 -0.65 0.02 0.00 0.00 175.30 175.12 3ihg s GLN 148 N -2.07 2.70 -0.14 3.54 -0.21 -1.26 -1.09 119.66 121.13 3ihg s GLN 148 Ca 0.13 -0.96 -0.00 0.00 0.02 0.00 0.00 55.36 54.55 3ihg s GLN 148 Cb -0.10 -2.53 0.03 0.00 1.00 0.00 0.00 33.01 31.41 3ihg s GLN 148 CO 0.06 0.48 -0.10 -1.01 -2.12 0.00 0.00 175.29 172.59 3ihg s HIS 149 N -1.73 1.83 0.91 0.91 3.76 -0.16 -4.96 115.29 115.86 3ihg s HIS 149 Ca 0.29 -1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 3ihg s HIS 149 Cb -0.10 -1.41 0.13 0.00 1.11 0.00 0.00 32.58 32.31 3ihg s HIS 149 CO 0.21 -0.60 1.03 -0.25 -0.85 0.00 0.00 174.74 174.28 3ihg n ASP 150 N 4.85 -0.01 -0.25 1.40 8.00 -1.26 -2.18 116.55 127.10 3ihg n ASP 150 Ca -0.14 0.42 0.04 0.00 0.71 0.00 0.00 54.79 55.82 3ihg n ASP 150 Cb 0.50 -1.44 0.18 0.00 -0.02 0.00 0.00 41.12 40.34 3ihg n ASP 150 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3ihg h ASP 151 N -1.76 0.33 -0.50 -2.24 5.19 -1.94 -1.72 116.42 113.78 3ihg h ASP 151 Ca -0.43 0.10 0.10 0.00 -0.62 0.00 0.00 57.03 56.17 3ihg h ASP 151 Cb 1.27 0.06 -0.10 0.00 0.18 0.00 0.00 39.33 40.75 3ihg h ASP 151 CO 0.40 0.14 -0.20 0.44 -3.12 0.00 0.00 179.24 176.90 3ihg h ASP 152 N 0.48 -0.70 -0.06 6.45 3.32 -2.00 -1.53 116.42 122.38 3ihg h ASP 152 Ca 0.40 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.62 3ihg h ASP 152 Cb 0.57 0.40 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3ihg h ASP 152 CO -0.37 -0.23 0.00 0.00 -1.72 0.00 0.00 179.24 176.92 3ihg n ALA 153 N -2.96 2.58 -2.00 3.45 0.00 -0.88 -4.90 120.51 115.79 3ihg n ALA 153 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3ihg n ALA 153 Cb 0.31 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3ihg n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 154 N 1.02 1.38 3.94 0.00 0.00 -0.58 -4.88 105.19 106.07 3ihg n GLY 154 Ca 0.17 0.33 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 3ihg n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg s ALA 155 N -1.00 3.51 0.00 4.61 0.00 -1.19 -4.84 121.76 122.84 3ihg s ALA 155 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3ihg s ALA 155 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3ihg s ALA 155 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3ihg n GLY 156 N -2.44 -1.12 2.82 0.00 0.00 -0.93 -4.79 105.19 98.73 3ihg n GLY 156 Ca 0.04 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 3ihg n GLY 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihg s VAL 157 N -3.00 0.15 -0.18 1.61 1.01 0.95 -0.99 120.40 119.95 3ihg s VAL 157 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3ihg s VAL 157 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3ihg s VAL 157 CO 0.00 0.13 0.03 -0.89 0.00 0.00 0.00 175.10 174.37 3ihg s THR 158 N 0.96 4.40 0.04 3.92 2.01 -0.25 -0.92 115.64 125.80 3ihg s THR 158 Ca -0.09 -0.17 0.09 0.00 0.31 0.00 0.00 61.69 61.82 3ihg s THR 158 Cb -0.13 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 3ihg s THR 158 CO -0.02 0.45 -0.25 0.00 -0.69 0.00 0.00 174.62 174.11 3ihg s ALA 159 N 0.58 2.12 -0.14 7.40 0.00 0.41 -0.28 121.76 131.85 3ihg s ALA 159 Ca 0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3ihg s ALA 159 Cb -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3ihg s ALA 159 CO 0.02 0.50 -0.04 0.50 0.00 0.00 0.00 175.76 176.73 3ihg s ARG 160 N -1.16 3.47 0.18 0.00 3.52 0.83 -0.65 118.95 125.14 3ihg s ARG 160 Ca 0.11 -0.52 0.09 0.00 -0.13 0.00 0.00 55.73 55.27 3ihg s ARG 160 Cb -0.10 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3ihg s ARG 160 CO 0.02 0.34 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.15 3ihg s LEU 161 N 0.10 2.46 -0.34 -0.88 1.43 0.05 -0.27 118.68 121.22 3ihg s LEU 161 Ca -0.01 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 3ihg s LEU 161 Cb -0.14 -0.84 0.10 0.00 0.03 0.00 0.00 46.19 45.34 3ihg s LEU 161 CO 0.03 -0.04 0.06 0.00 0.23 0.00 0.00 176.35 176.63 3ihg s ALA 162 N -2.15 2.91 0.00 4.21 0.00 0.51 -2.11 121.76 125.13 3ihg s ALA 162 Ca 0.17 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 49.69 3ihg s ALA 162 Cb -0.05 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3ihg s ALA 162 CO 0.07 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.59 3ihg n GLY 163 N 4.34 1.91 0.12 0.00 0.00 -0.92 -0.50 105.19 110.13 3ihg n GLY 163 Ca 0.01 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.91 3ihg n GLY 163 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ihg h PRO 164 N 0.00 0.09 -0.68 1.61 0.11 -1.90 -2.90 132.00 128.33 3ihg h PRO 164 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ihg h PRO 164 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3ihg h PRO 164 CO 0.00 0.83 0.00 -0.25 -0.21 0.00 0.00 178.00 178.37 3ihg n ASP 165 N -3.67 3.25 0.00 -2.05 8.00 -1.26 -5.03 116.55 115.79 3ihg n ASP 165 Ca -0.02 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.10 3ihg n ASP 165 Cb 0.75 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3ihg n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihg n GLY 166 N 0.55 -1.48 3.83 0.44 0.00 -1.09 -5.03 105.19 102.40 3ihg n GLY 166 Ca 0.15 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 3ihg n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihg s GLU 167 N 0.00 4.19 0.12 1.61 2.02 -1.26 -2.18 118.70 123.21 3ihg s GLU 167 Ca 0.00 0.96 -0.24 0.00 0.02 0.00 0.00 54.97 55.70 3ihg s GLU 167 Cb 0.00 -2.41 0.08 0.00 0.10 0.00 0.00 34.13 31.90 3ihg s GLU 167 CO 0.00 0.12 0.67 1.52 0.02 0.00 0.00 175.26 177.58 3ihg s TYR 168 N -1.98 -0.49 -0.01 1.61 -0.85 -0.90 -4.98 117.35 109.75 3ihg s TYR 168 Ca 0.56 0.29 -0.04 0.00 -0.52 0.00 0.00 57.07 57.37 3ihg s TYR 168 Cb -0.11 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3ihg s TYR 168 CO 0.17 -0.78 0.20 -0.51 -1.52 0.00 0.00 175.55 173.10 3ihg s ASP 169 N -2.69 6.40 -0.03 -0.18 -0.00 -1.26 -0.77 116.67 118.13 3ihg s ASP 169 Ca 0.02 0.40 0.00 0.00 -0.00 0.00 0.00 52.55 52.97 3ihg s ASP 169 Cb -0.01 -2.03 0.03 0.00 -0.00 0.00 0.00 42.92 40.91 3ihg s ASP 169 CO -0.12 0.27 -0.00 -0.22 -0.00 0.00 0.00 175.17 175.10 3ihg s LEU 170 N -1.84 1.14 -0.26 1.23 2.96 0.18 -4.98 118.68 117.12 3ihg s LEU 170 Ca 0.26 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.99 3ihg s LEU 170 Cb -0.13 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 3ihg s LEU 170 CO 0.17 -0.10 0.36 -0.13 -1.32 0.00 0.00 176.35 175.33 3ihg s ARG 171 N 1.06 4.03 0.21 1.98 0.52 -1.26 -0.45 118.95 125.04 3ihg s ARG 171 Ca -0.09 0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.26 3ihg s ARG 171 Cb -0.14 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 3ihg s ARG 171 CO -0.02 -0.24 -0.18 0.00 0.02 0.00 0.00 175.30 174.88 3ihg s ALA 172 N 1.95 2.71 0.22 2.13 0.00 -0.09 -1.52 121.76 127.16 3ihg s ALA 172 Ca 0.15 -1.63 0.20 0.00 0.00 0.00 0.00 51.96 50.67 3ihg s ALA 172 Cb -0.16 -0.45 0.81 0.00 0.00 0.00 0.00 23.12 23.32 3ihg s ALA 172 CO 0.10 0.41 1.80 0.78 0.00 0.00 0.00 175.76 178.84 3ihg h GLY 173 N 2.92 0.00 -4.02 0.00 0.00 -1.13 0.27 103.07 101.11 3ihg h GLY 173 Ca -0.45 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 3ihg h GLY 173 CO 0.52 0.00 -0.35 -0.19 0.00 0.00 0.00 176.54 176.52 3ihg s TYR 174 N -3.75 -0.01 -0.09 5.60 2.02 -0.61 -4.55 117.35 115.96 3ihg s TYR 174 Ca -0.01 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 3ihg s TYR 174 Cb 0.12 0.02 0.01 0.00 -0.40 0.00 0.00 41.96 41.70 3ihg s TYR 174 CO 0.67 -0.44 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.90 3ihg s LEU 175 N -1.95 1.71 -0.15 -1.29 0.20 -0.14 -1.37 118.68 115.69 3ihg s LEU 175 Ca -0.07 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.37 3ihg s LEU 175 Cb -0.02 -1.01 -0.01 0.00 -0.43 0.00 0.00 46.19 44.73 3ihg s LEU 175 CO -0.02 0.03 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.23 3ihg s VAL 176 N 0.80 2.79 -0.52 1.68 1.01 0.41 -0.17 120.40 126.40 3ihg s VAL 176 Ca -0.11 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 3ihg s VAL 176 Cb -0.16 -2.18 0.13 0.00 0.00 0.00 0.00 36.38 34.17 3ihg s VAL 176 CO 0.02 0.52 0.45 -0.83 0.00 0.00 0.00 175.10 175.26 3ihg s GLY 177 N 0.65 2.07 -0.31 4.51 0.00 0.39 -0.98 107.32 113.65 3ihg s GLY 177 Ca -0.08 -2.53 0.08 0.00 0.00 0.00 0.00 44.72 42.19 3ihg s GLY 177 CO 0.02 1.17 1.40 0.00 0.00 0.00 0.00 173.10 175.70 3ihg n ALA 178 N 5.15 4.55 -0.36 3.20 0.00 0.09 -1.71 120.51 131.42 3ihg n ALA 178 Ca -0.12 -3.37 -0.07 0.00 0.00 0.00 0.00 53.44 49.88 3ihg n ALA 178 Cb 0.40 -0.65 0.18 0.00 0.00 0.00 0.00 19.45 19.38 3ihg n ALA 178 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ihg n ASP 179 N -1.01 3.73 0.00 0.00 5.75 -0.24 -4.22 116.55 120.55 3ihg n ASP 179 Ca 0.36 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 3ihg n ASP 179 Cb 0.93 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3ihg n ASP 179 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ihg n GLY 180 N -0.17 -3.30 0.25 6.12 0.00 -1.26 -4.39 105.19 102.43 3ihg n GLY 180 Ca 0.30 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 3ihg n GLY 180 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3ihg h ASN 181 N 0.00 0.77 -0.65 1.61 -0.00 -1.92 -2.92 115.58 112.48 3ihg h ASN 181 Ca 0.00 -0.17 -0.60 0.00 -0.00 0.00 0.00 56.30 55.53 3ihg h ASN 181 Cb 0.00 -0.20 -0.08 0.00 -0.00 0.00 0.00 38.32 38.04 3ihg h ASN 181 CO 0.00 0.73 2.09 0.54 -0.00 0.00 0.00 177.43 180.79 3ihg n ARG 182 N -4.50 3.60 -2.25 4.14 1.74 -1.26 -4.81 116.66 113.32 3ihg n ARG 182 Ca 0.03 -2.56 -0.43 0.00 -0.77 0.00 0.00 57.85 54.11 3ihg n ARG 182 Cb 0.16 -2.51 -0.02 0.00 -1.02 0.00 0.00 32.46 29.07 3ihg n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ihg s SER 183 N 1.11 6.41 0.30 0.55 0.15 -1.11 -4.85 113.70 116.26 3ihg s SER 183 Ca 0.61 1.30 0.05 0.00 0.70 0.00 0.00 55.95 58.61 3ihg s SER 183 Cb 0.24 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 62.80 3ihg s SER 183 CO -0.09 -1.28 1.68 0.25 1.20 0.00 0.00 173.24 174.99 3ihg h LEU 184 N 11.74 0.27 0.03 3.45 6.46 -1.88 -1.08 115.31 134.30 3ihg h LEU 184 Ca -0.30 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 3ihg h LEU 184 Cb 1.13 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 3ihg h LEU 184 CO 1.03 -0.07 -0.02 0.58 -0.62 0.00 0.00 178.44 179.35 3ihg h VAL 185 N 0.34 1.10 -0.48 1.05 2.07 -1.93 0.19 116.25 118.59 3ihg h VAL 185 Ca 0.59 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 3ihg h VAL 185 Cb 1.18 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3ihg h VAL 185 CO -0.58 0.11 -0.03 -0.09 0.02 0.00 0.00 177.57 177.01 3ihg h ARG 186 N -0.23 0.86 -0.44 1.57 2.43 -1.78 -2.62 114.38 114.16 3ihg h ARG 186 Ca -0.00 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.77 3ihg h ARG 186 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3ihg h ARG 186 CO 0.01 0.91 -0.18 1.49 -1.51 0.00 0.00 179.97 180.69 3ihg h GLU 187 N 0.71 0.86 0.00 0.20 4.57 -1.22 -2.56 114.58 117.14 3ihg h GLU 187 Ca 0.13 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 3ihg h GLU 187 Cb 0.54 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3ihg h GLU 187 CO 0.03 0.97 -0.14 0.77 -1.18 0.00 0.00 179.01 179.46 3ihg h SER 188 N 0.76 0.00 0.41 1.04 0.02 -0.59 -2.11 113.55 113.08 3ihg h SER 188 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3ihg h SER 188 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3ihg h SER 188 CO 0.05 0.14 -0.24 0.18 -1.14 0.00 0.00 176.83 175.82 3ihg n LEU 189 N -4.36 0.62 -2.67 5.07 4.77 -1.06 -4.95 117.00 114.42 3ihg n LEU 189 Ca -0.03 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 3ihg n LEU 189 Cb 0.21 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3ihg n LEU 189 CO 0.36 0.12 0.14 0.61 -1.33 0.00 0.00 177.39 177.29 3ihg n GLY 190 N 1.37 -0.10 3.67 -0.72 0.00 -0.79 -5.01 105.19 103.60 3ihg n GLY 190 Ca 0.11 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3ihg n GLY 190 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihg s ILE 191 N -3.23 5.29 0.65 -0.61 1.01 -0.98 -5.06 121.20 118.27 3ihg s ILE 191 Ca 0.26 0.42 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 3ihg s ILE 191 Cb -0.12 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3ihg s ILE 191 CO 0.51 0.31 1.01 -0.83 0.00 0.00 0.00 174.94 175.94 3ihg s GLY 192 N 1.01 1.62 0.26 6.18 0.00 -1.26 -4.75 107.32 110.38 3ihg s GLY 192 Ca 0.13 -0.47 0.10 0.00 0.00 0.00 0.00 44.72 44.48 3ihg s GLY 192 CO 0.06 -0.14 -0.04 0.50 0.00 0.00 0.00 173.10 173.48 3ihg s ARG 193 N -5.20 2.19 0.29 2.90 0.52 -1.26 -0.62 118.95 117.78 3ihg s ARG 193 Ca 0.56 -1.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 3ihg s ARG 193 Cb -0.11 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.20 3ihg s ARG 193 CO 0.49 0.36 0.02 1.52 0.02 0.00 0.00 175.30 177.72 3ihg s TYR 194 N -2.31 1.83 -2.22 -0.53 -0.85 -0.67 -4.86 117.35 107.74 3ihg s TYR 194 Ca 0.31 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3ihg s TYR 194 Cb -0.06 -1.13 0.00 0.00 0.38 0.00 0.00 41.96 41.15 3ihg s TYR 194 CO 0.19 0.02 0.00 0.41 -1.52 0.00 0.00 175.55 174.65 3ihg n GLY 195 N -0.58 0.84 0.41 5.49 0.00 -1.26 -0.59 105.19 109.49 3ihg n GLY 195 Ca -0.03 -2.15 0.20 0.00 0.00 0.00 0.00 46.02 44.04 3ihg n GLY 195 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ihg h HIS 196 N 0.00 0.37 0.00 1.61 2.76 -2.00 -3.48 115.15 114.41 3ihg h HIS 196 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3ihg h HIS 196 Cb 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.85 3ihg h HIS 196 CO 0.00 0.11 0.00 0.41 -1.30 0.00 0.00 177.93 177.15 3ihg n GLY 197 N -1.57 -0.94 3.56 5.26 0.00 -0.81 -4.87 105.19 105.82 3ihg n GLY 197 Ca 0.17 -1.37 -0.54 0.00 0.00 0.00 0.00 46.02 44.28 3ihg n GLY 197 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ihg n THR 198 N 0.00 0.11 -0.06 2.61 -1.04 -1.26 -1.90 114.28 112.74 3ihg n THR 198 Ca 0.00 -0.03 -0.07 0.00 -2.04 0.00 0.00 64.05 61.91 3ihg n THR 198 Cb 0.00 -0.54 -0.02 0.00 -1.82 0.00 0.00 70.33 67.95 3ihg n THR 198 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3ihg n LEU 199 N 2.13 1.60 -3.78 -4.42 7.94 0.11 -4.89 117.00 115.68 3ihg n LEU 199 Ca 0.19 0.27 -0.08 0.00 -1.11 0.00 0.00 56.01 55.27 3ihg n LEU 199 Cb 0.16 -0.65 -0.03 0.00 0.53 0.00 0.00 43.42 43.44 3ihg n LEU 199 CO 0.62 -0.36 0.40 0.28 -1.11 0.00 0.00 177.39 177.21 3ihg s THR 200 N -2.57 0.00 0.10 1.96 -1.32 -1.10 -5.01 115.64 107.71 3ihg s THR 200 Ca -0.22 -0.85 0.09 0.00 -1.21 0.00 0.00 61.69 59.51 3ihg s THR 200 Cb 0.03 -1.79 -0.04 0.00 -1.51 0.00 0.00 72.50 69.19 3ihg s THR 200 CO 0.32 -0.02 -0.24 -1.00 -2.21 0.00 0.00 174.62 171.47 3ihg s HIS 201 N -3.90 2.04 -0.01 9.09 3.76 -1.26 -0.46 115.29 124.56 3ihg s HIS 201 Ca 0.10 -0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 54.44 3ihg s HIS 201 Cb -0.04 -1.13 0.03 0.00 1.11 0.00 0.00 32.58 32.56 3ihg s HIS 201 CO 0.02 0.25 0.38 1.41 -0.85 0.00 0.00 174.74 175.95 3ihg s MET 202 N -1.86 0.77 -0.16 1.40 1.75 -0.66 -1.25 119.30 119.28 3ihg s MET 202 Ca 0.10 -0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.36 3ihg s MET 202 Cb -0.10 0.35 -0.01 0.00 2.84 0.00 0.00 34.83 37.91 3ihg s MET 202 CO 0.05 -0.23 -0.10 0.08 -0.65 0.00 0.00 175.02 174.17 3ihg s VAL 203 N -1.52 3.18 0.00 10.11 1.01 0.30 -0.94 120.40 132.54 3ihg s VAL 203 Ca -0.12 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 3ihg s VAL 203 Cb -0.04 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 3ihg s VAL 203 CO 0.04 0.49 0.42 -0.83 0.00 0.00 0.00 175.10 175.22 3ihg s GLY 204 N 0.73 2.50 -0.10 4.51 0.00 0.27 -1.21 107.32 114.02 3ihg s GLY 204 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 3ihg s GLY 204 CO 0.02 0.18 -0.02 0.14 0.00 0.00 0.00 173.10 173.42 3ihg s VAL 205 N -1.06 0.61 -0.15 1.40 1.01 0.80 -0.63 120.40 122.39 3ihg s VAL 205 Ca 0.24 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3ihg s VAL 205 Cb -0.17 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3ihg s VAL 205 CO 0.14 0.24 0.28 -0.63 0.00 0.00 0.00 175.10 175.13 3ihg s ILE 206 N 1.87 5.31 0.08 2.22 1.01 -0.65 -0.30 121.20 130.74 3ihg s ILE 206 Ca 0.04 0.52 -0.08 0.00 0.00 0.00 0.00 60.65 61.13 3ihg s ILE 206 Cb -0.13 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 3ihg s ILE 206 CO -0.06 0.41 0.17 0.72 0.00 0.00 0.00 174.94 176.18 3ihg s PHE 207 N 0.30 0.17 -0.10 3.97 -0.12 -0.17 -0.47 117.98 121.56 3ihg s PHE 207 Ca 0.16 -0.59 -0.00 0.00 -0.05 0.00 0.00 56.93 56.45 3ihg s PHE 207 Cb -0.13 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.15 3ihg s PHE 207 CO 0.04 -0.52 -0.08 -0.51 -0.05 0.00 0.00 175.22 174.10 3ihg s ASP 208 N -2.79 4.53 -0.29 1.98 -0.00 0.99 -1.08 116.67 120.01 3ihg s ASP 208 Ca 0.04 -0.11 -0.23 0.00 -0.00 0.00 0.00 52.55 52.25 3ihg s ASP 208 Cb 0.05 -1.38 0.16 0.00 -0.00 0.00 0.00 42.92 41.75 3ihg s ASP 208 CO -0.10 0.28 1.19 0.00 -0.00 0.00 0.00 175.17 176.54 3ihg s ALA 209 N -0.30 -2.17 -0.50 5.23 0.00 -0.50 -0.96 121.76 122.55 3ihg s ALA 209 Ca 0.04 1.87 -0.26 0.00 0.00 0.00 0.00 51.96 53.61 3ihg s ALA 209 Cb -0.13 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.37 3ihg s ALA 209 CO 0.02 -0.21 0.98 0.34 0.00 0.00 0.00 175.76 176.89 3ihg s ASP 210 N 0.40 6.47 0.00 0.00 -1.08 -1.26 -4.62 116.67 116.58 3ihg s ASP 210 Ca 0.02 0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.31 3ihg s ASP 210 Cb -0.05 -2.47 0.54 0.00 -1.46 0.00 0.00 42.92 39.49 3ihg s ASP 210 CO -0.11 -1.16 1.45 0.18 0.52 0.00 0.00 175.17 176.05 3ihg n LEU 211 N 7.43 2.70 -0.46 -1.34 4.32 -1.26 -4.25 117.00 124.14 3ihg n LEU 211 Ca 0.06 -1.12 0.39 0.00 -0.02 0.00 0.00 56.01 55.32 3ihg n LEU 211 Cb 0.48 -0.17 0.72 0.00 -1.62 0.00 0.00 43.42 42.84 3ihg n LEU 211 CO 0.65 0.56 1.34 -1.28 -1.22 0.00 0.00 177.39 177.44 3ihg h SER 212 N 3.61 0.11 0.67 -1.43 0.87 -1.88 0.35 113.55 115.85 3ihg h SER 212 Ca 0.00 0.04 -0.27 0.00 -1.23 0.00 0.00 61.79 60.34 3ihg h SER 212 Cb 0.79 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3ihg h SER 212 CO 0.00 -0.03 -1.32 1.23 -0.53 0.00 0.00 176.83 176.18 3ihg h GLY 213 N 0.07 0.17 -0.79 5.77 0.00 -2.01 -3.39 103.07 102.90 3ihg h GLY 213 Ca 0.73 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3ihg h GLY 213 CO -0.14 0.39 0.00 0.29 0.00 0.00 0.00 176.54 177.08 3ihg n ILE 214 N -3.39 0.92 -4.32 2.60 -6.64 0.04 -4.93 119.36 103.64 3ihg n ILE 214 Ca -0.09 -0.96 -0.27 0.00 -1.77 0.00 0.00 62.75 59.65 3ihg n ILE 214 Cb 1.01 0.55 -0.17 0.00 -1.44 0.00 0.00 39.64 39.59 3ihg n ILE 214 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 3ihg s MET 215 N -0.97 1.94 0.44 6.28 1.75 -0.78 -4.81 119.30 123.14 3ihg s MET 215 Ca 0.14 -0.45 -0.25 0.00 -1.25 0.00 0.00 55.69 53.88 3ihg s MET 215 Cb 0.07 -1.72 -0.08 0.00 2.84 0.00 0.00 34.83 35.95 3ihg s MET 215 CO 0.10 -0.10 1.26 -1.21 -0.65 0.00 0.00 175.02 174.42 3ihg s GLU 216 N 1.12 3.82 0.52 4.11 2.02 -1.26 -4.81 118.70 124.21 3ihg s GLU 216 Ca -0.05 2.05 -0.19 0.00 0.02 0.00 0.00 54.97 56.80 3ihg s GLU 216 Cb -0.14 -2.60 -0.10 0.00 0.10 0.00 0.00 34.13 31.38 3ihg s GLU 216 CO -0.03 -0.58 0.46 -2.30 0.02 0.00 0.00 175.26 172.84 3ihg n PRO 217 N -0.17 0.49 -1.88 0.39 -0.02 -1.26 -2.62 135.00 129.93 3ihg n PRO 217 Ca 0.05 0.19 -0.17 0.00 -2.02 0.00 0.00 63.50 61.55 3ihg n PRO 217 Cb 0.45 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 3ihg n PRO 217 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihg n GLY 218 N 1.85 0.72 1.12 -1.23 0.00 -1.26 -4.93 105.19 101.47 3ihg n GLY 218 Ca 0.11 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3ihg n GLY 218 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ihg n THR 219 N -3.23 1.55 -2.02 2.61 5.66 -1.08 -4.87 114.28 112.91 3ihg n THR 219 Ca -0.18 -1.24 -0.42 0.00 -3.05 0.00 0.00 64.05 59.16 3ihg n THR 219 Cb 0.59 0.22 -0.03 0.00 -1.55 0.00 0.00 70.33 69.57 3ihg n THR 219 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ihg s THR 220 N -1.65 2.80 -2.23 1.09 2.01 -1.26 -4.84 115.64 111.55 3ihg s THR 220 Ca 0.40 0.60 0.00 0.00 0.31 0.00 0.00 61.69 63.00 3ihg s THR 220 Cb 0.25 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3ihg s THR 220 CO 0.20 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 3ihg n GLY 221 N 3.27 -1.41 3.75 4.40 0.00 -1.26 -1.25 105.19 112.69 3ihg n GLY 221 Ca 0.11 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 3ihg n GLY 221 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ihg s TRP 222 N -2.83 3.53 -0.11 1.61 -0.11 -0.25 -4.19 118.94 116.59 3ihg s TRP 222 Ca 0.00 0.75 0.02 0.00 1.22 0.00 0.00 56.10 58.09 3ihg s TRP 222 Cb 0.00 -2.37 0.02 0.00 -1.50 0.00 0.00 33.47 29.61 3ihg s TRP 222 CO 0.00 0.32 -0.15 0.71 -4.62 0.00 0.00 176.95 173.21 3ihg s TYR 223 N 0.14 1.94 -0.34 5.86 2.02 -0.05 -1.65 117.35 125.27 3ihg s TYR 223 Ca 0.20 -0.92 -0.20 0.00 -0.37 0.00 0.00 57.07 55.78 3ihg s TYR 223 Cb -0.14 -1.41 -0.00 0.00 -0.40 0.00 0.00 41.96 40.00 3ihg s TYR 223 CO 0.07 -0.49 0.60 0.71 -1.57 0.00 0.00 175.55 174.88 3ihg s TYR 224 N 1.05 3.17 -0.35 2.71 2.02 0.46 -0.64 117.35 125.77 3ihg s TYR 224 Ca -0.05 0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.86 3ihg s TYR 224 Cb -0.15 -3.04 -0.01 0.00 -0.40 0.00 0.00 41.96 38.36 3ihg s TYR 224 CO -0.02 -0.57 0.30 -0.51 -1.57 0.00 0.00 175.55 173.18 3ihg s LEU 225 N 2.59 4.58 -0.81 -1.29 1.43 0.12 -1.67 118.68 123.64 3ihg s LEU 225 Ca 0.23 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3ihg s LEU 225 Cb -0.15 -2.23 0.20 0.00 0.03 0.00 0.00 46.19 44.05 3ihg s LEU 225 CO 0.14 -0.32 0.68 -1.00 0.23 0.00 0.00 176.35 176.08 3ihg s HIS 226 N 1.85 3.74 0.12 0.29 3.76 -0.07 -1.52 115.29 123.46 3ihg s HIS 226 Ca 0.08 -2.92 -0.03 0.00 -0.15 0.00 0.00 55.06 52.04 3ihg s HIS 226 Cb -0.17 -3.23 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 3ihg s HIS 226 CO 0.11 -0.77 0.33 -1.58 -0.85 0.00 0.00 174.74 171.98 3ihg s HIS 227 N -0.95 3.49 0.24 1.40 5.04 -0.91 -4.21 115.29 119.38 3ihg s HIS 227 Ca 0.24 0.47 -0.05 0.00 -1.54 0.00 0.00 55.06 54.18 3ihg s HIS 227 Cb -0.11 -1.94 0.44 0.00 0.04 0.00 0.00 32.58 31.01 3ihg s HIS 227 CO -0.10 0.48 1.70 -1.35 -2.34 0.00 0.00 174.74 173.13 3ihg h PRO 228 N 2.90 0.32 0.05 2.88 0.11 -1.98 -2.99 132.00 133.29 3ihg h PRO 228 Ca -0.46 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 3ihg h PRO 228 Cb 1.16 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ihg h PRO 228 CO 0.74 0.21 -1.04 0.93 -0.21 0.00 0.00 178.00 178.63 3ihg h GLU 229 N 0.33 0.18 -3.45 1.05 5.08 -1.97 -3.48 114.58 112.32 3ihg h GLU 229 Ca 0.40 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3ihg h GLU 229 Cb 0.65 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 3ihg h GLU 229 CO -0.45 1.06 -0.06 -0.59 -1.00 0.00 0.00 179.01 177.96 3ihg s PHE 230 N -2.89 -0.02 -0.14 4.33 -0.12 -1.13 -5.15 117.98 112.86 3ihg s PHE 230 Ca -0.02 -0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 56.51 3ihg s PHE 230 Cb 0.09 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 3ihg s PHE 230 CO 0.85 -0.84 -0.08 0.21 -0.05 0.00 0.00 175.22 175.31 3ihg s LYS 231 N -3.88 3.50 0.00 1.99 2.20 -1.26 -2.15 119.74 120.14 3ihg s LYS 231 Ca 0.10 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 3ihg s LYS 231 Cb 0.00 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 3ihg s LYS 231 CO -0.04 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 3ihg n GLY 232 N 3.44 2.40 3.22 5.54 0.00 -0.58 0.88 105.19 120.09 3ihg n GLY 232 Ca -0.18 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 3ihg n GLY 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ihg s THR 233 N -2.77 0.13 -0.16 2.61 -4.23 -0.80 0.13 115.64 110.56 3ihg s THR 233 Ca 0.00 -1.20 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 3ihg s THR 233 Cb 0.00 -1.39 0.05 0.00 1.34 0.00 0.00 72.50 72.50 3ihg s THR 233 CO 0.00 -0.61 0.40 0.12 -0.54 0.00 0.00 174.62 173.99 3ihg s PHE 234 N -3.87 -0.52 0.04 3.99 5.36 0.19 -0.85 117.98 122.32 3ihg s PHE 234 Ca 0.06 1.18 -0.03 0.00 -0.96 0.00 0.00 56.93 57.18 3ihg s PHE 234 Cb 0.05 0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.92 3ihg s PHE 234 CO -0.10 -0.28 0.04 0.20 -1.46 0.00 0.00 175.22 173.62 3ihg s GLY 235 N 0.86 0.26 0.78 13.12 0.00 -0.12 -0.87 107.32 121.34 3ihg s GLY 235 Ca -0.05 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 3ihg s GLY 235 CO -0.07 -0.83 1.14 2.56 0.00 0.00 0.00 173.10 175.90 3ihg s PRO 236 N -2.71 2.26 0.00 2.90 0.04 -1.26 -0.88 135.00 135.35 3ihg s PRO 236 Ca -0.04 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.29 3ihg s PRO 236 Cb -0.01 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3ihg s PRO 236 CO -0.05 -1.42 0.00 0.25 0.04 0.00 0.00 177.00 175.81 3ihg n THR 237 N -3.24 0.00 1.79 1.26 -2.24 -1.08 -4.69 114.28 106.08 3ihg n THR 237 Ca 0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.01 3ihg n THR 237 Cb 0.59 0.00 0.78 0.00 -2.10 0.00 0.00 70.33 69.60 3ihg n THR 237 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ihg n ASP 238 N -1.44 0.56 -4.52 3.42 5.68 -1.26 -4.63 116.55 114.36 3ihg n ASP 238 Ca 0.00 -1.15 -0.35 0.00 -0.50 0.00 0.00 54.79 52.79 3ihg n ASP 238 Cb 0.00 -0.01 -0.11 0.00 -1.14 0.00 0.00 41.12 39.86 3ihg n ASP 238 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3ihg s ARG 239 N -2.03 3.76 0.16 0.11 0.52 -1.26 -4.89 118.95 115.32 3ihg s ARG 239 Ca 0.43 -0.45 0.10 0.00 -0.52 0.00 0.00 55.73 55.29 3ihg s ARG 239 Cb 0.22 -3.14 0.53 0.00 0.52 0.00 0.00 34.95 33.07 3ihg s ARG 239 CO 0.36 0.11 1.25 -0.35 0.02 0.00 0.00 175.30 176.69 3ihg n PRO 240 N 3.99 0.06 -0.11 3.54 -0.04 -1.26 -1.89 135.00 139.29 3ihg n PRO 240 Ca -0.17 0.53 0.05 0.00 -0.04 0.00 0.00 63.50 63.87 3ihg n PRO 240 Cb 0.52 -1.79 0.11 0.00 -0.04 0.00 0.00 33.50 32.30 3ihg n PRO 240 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ihg n ASP 241 N -1.82 2.51 -4.15 3.54 5.68 -1.26 -4.76 116.55 116.28 3ihg n ASP 241 Ca -0.01 -1.80 -0.29 0.00 -0.50 0.00 0.00 54.79 52.20 3ihg n ASP 241 Cb 0.09 -0.14 -0.17 0.00 -1.14 0.00 0.00 41.12 39.77 3ihg n ASP 241 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3ihg s ARG 242 N -0.95 2.34 0.14 0.11 3.52 -0.79 -1.42 118.95 121.90 3ihg s ARG 242 Ca 0.18 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 3ihg s ARG 242 Cb 0.10 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.58 3ihg s ARG 242 CO 0.14 0.17 -0.02 -1.01 -0.81 0.00 0.00 175.30 173.77 3ihg s HIS 243 N 0.32 1.06 0.03 5.12 3.76 -0.24 -2.62 115.29 122.73 3ihg s HIS 243 Ca -0.13 -0.99 0.09 0.00 -0.15 0.00 0.00 55.06 53.88 3ihg s HIS 243 Cb -0.16 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 3ihg s HIS 243 CO 0.05 -0.20 -0.26 0.95 -0.85 0.00 0.00 174.74 174.44 3ihg s THR 244 N -3.66 2.06 -0.02 1.30 -4.23 -0.06 -1.00 115.64 110.04 3ihg s THR 244 Ca 0.19 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3ihg s THR 244 Cb 0.06 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.14 3ihg s THR 244 CO 0.00 0.38 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.17 3ihg s LEU 245 N -1.12 1.84 0.02 4.79 2.96 0.59 -0.94 118.68 126.82 3ihg s LEU 245 Ca 0.11 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 3ihg s LEU 245 Cb -0.10 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 3ihg s LEU 245 CO 0.01 0.06 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.54 3ihg s PHE 246 N 0.11 1.81 -0.04 5.38 0.08 -0.03 -0.14 117.98 125.15 3ihg s PHE 246 Ca -0.01 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 3ihg s PHE 246 Cb -0.06 -1.11 0.03 0.00 -0.57 0.00 0.00 43.02 41.31 3ihg s PHE 246 CO -0.00 0.05 0.03 0.08 -0.10 0.00 0.00 175.22 175.28 3ihg s VAL 247 N -0.69 0.05 0.49 -0.44 1.01 -0.35 -1.90 120.40 118.58 3ihg s VAL 247 Ca 0.07 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 3ihg s VAL 247 Cb -0.08 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 36.01 3ihg s VAL 247 CO 0.01 0.16 1.11 -0.70 0.00 0.00 0.00 175.10 175.68 3ihg s GLU 248 N 1.55 3.65 -0.04 2.72 2.12 0.25 -0.54 118.70 128.41 3ihg s GLU 248 Ca -0.03 1.59 -0.19 0.00 0.36 0.00 0.00 54.97 56.70 3ihg s GLU 248 Cb -0.13 -2.19 0.04 0.00 0.26 0.00 0.00 34.13 32.11 3ihg s GLU 248 CO -0.03 -0.60 0.42 1.52 -0.54 0.00 0.00 175.26 176.03 3ihg s TYR 249 N -1.75 -0.34 -0.34 5.30 -0.85 -0.38 -4.62 117.35 114.38 3ihg s TYR 249 Ca 0.68 0.60 -0.14 0.00 -0.52 0.00 0.00 57.07 57.69 3ihg s TYR 249 Cb -0.23 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 3ihg s TYR 249 CO 0.27 -0.43 0.29 0.34 -1.52 0.00 0.00 175.55 174.51 3ihg s ASP 250 N -1.10 6.11 0.36 -0.18 -1.08 -1.26 -4.13 116.67 115.39 3ihg s ASP 250 Ca -0.11 -0.30 0.19 0.00 -0.52 0.00 0.00 52.55 51.81 3ihg s ASP 250 Cb -0.04 -2.16 0.58 0.00 -1.46 0.00 0.00 42.92 39.84 3ihg s ASP 250 CO 0.05 -0.27 1.68 -0.65 0.52 0.00 0.00 175.17 176.51 3ihg h PRO 251 N 8.46 0.00 0.00 4.34 0.11 -1.95 -0.89 132.00 142.08 3ihg h PRO 251 Ca -0.31 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3ihg h PRO 251 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ihg h PRO 251 CO 0.65 0.38 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.25 3ihg h ASP 252 N 0.00 0.00 0.32 -2.05 3.32 -1.92 -0.48 116.42 115.60 3ihg h ASP 252 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ihg h ASP 252 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3ihg h ASP 252 CO 0.05 0.13 -0.12 1.21 -1.72 0.00 0.00 179.24 178.79 3ihg n GLU 253 N -3.18 0.76 0.00 3.56 4.07 -1.23 -4.94 120.64 119.68 3ihg n GLU 253 Ca 0.02 -0.30 0.00 0.00 -0.06 0.00 0.00 57.16 56.82 3ihg n GLU 253 Cb 0.49 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 3ihg n GLU 253 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ihg n GLY 254 N 1.28 0.74 3.81 8.31 0.00 -0.19 -5.07 105.19 114.07 3ihg n GLY 254 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3ihg n GLY 254 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihg s GLU 255 N -0.79 4.36 0.05 1.61 2.02 -0.34 -4.99 118.70 120.61 3ihg s GLU 255 Ca 0.00 1.11 -0.01 0.00 0.02 0.00 0.00 54.97 56.10 3ihg s GLU 255 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 3ihg s GLU 255 CO 0.00 0.19 -0.03 1.03 0.02 0.00 0.00 175.26 176.47 3ihg s ARG 256 N -2.49 0.60 0.29 1.61 1.81 -1.26 -3.98 118.95 115.54 3ihg s ARG 256 Ca 0.53 -1.18 -0.02 0.00 -1.72 0.00 0.00 55.73 53.34 3ihg s ARG 256 Cb -0.14 0.17 0.44 0.00 -0.45 0.00 0.00 34.95 34.96 3ihg s ARG 256 CO 0.19 -0.10 1.95 -1.35 -0.68 0.00 0.00 175.30 175.32 3ihg h PRO 257 N 3.25 1.10 -1.26 3.54 0.11 -1.98 -2.08 132.00 134.69 3ihg h PRO 257 Ca -0.34 -0.07 0.37 0.00 0.11 0.00 0.00 66.00 66.07 3ihg h PRO 257 Cb 1.15 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 3ihg h PRO 257 CO 0.64 0.73 1.02 0.93 -0.21 0.00 0.00 178.00 181.11 3ihg h GLU 258 N 1.13 0.00 0.00 1.05 4.39 -2.01 -0.52 114.58 118.63 3ihg h GLU 258 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3ihg h GLU 258 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3ihg h GLU 258 CO -0.08 0.00 0.00 -0.44 -1.16 0.00 0.00 179.01 177.33 3ihg h ASP 259 N 0.00 0.00 -0.67 1.42 3.32 -1.79 -3.35 116.42 115.35 3ihg h ASP 259 Ca 0.60 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.92 3ihg h ASP 259 Cb 2.63 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 42.09 3ihg h ASP 259 CO -0.01 0.00 2.60 0.49 -1.72 0.00 0.00 179.24 180.60 3ihg n PHE 260 N -3.03 3.33 -1.01 4.55 3.01 -0.20 -4.75 117.46 119.36 3ihg n PHE 260 Ca 0.03 -2.90 -0.31 0.00 1.01 0.00 0.00 57.45 55.28 3ihg n PHE 260 Cb 0.43 -2.29 0.13 0.00 -0.01 0.00 0.00 39.48 37.75 3ihg n PHE 260 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3ihg s THR 261 N 1.96 2.72 0.54 4.37 -4.23 -1.26 -4.78 115.64 114.96 3ihg s THR 261 Ca 0.44 0.23 0.37 0.00 -1.18 0.00 0.00 61.69 61.55 3ihg s THR 261 Cb 0.12 -2.52 0.55 0.00 1.34 0.00 0.00 72.50 71.99 3ihg s THR 261 CO -0.04 -0.30 1.79 -0.65 -0.54 0.00 0.00 174.62 174.88 3ihg h PRO 262 N -1.53 0.02 0.43 3.99 0.11 -1.96 -0.51 132.00 132.54 3ihg h PRO 262 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ihg h PRO 262 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ihg h PRO 262 CO 0.48 0.01 -0.20 1.96 -0.21 0.00 0.00 178.00 180.04 3ihg h GLN 263 N 0.02 -0.55 -0.78 1.05 1.08 -1.96 -1.36 115.11 112.61 3ihg h GLN 263 Ca 0.58 0.04 0.17 0.00 -1.45 0.00 0.00 58.65 57.99 3ihg h GLN 263 Cb 2.30 0.13 -0.11 0.00 -0.05 0.00 0.00 27.48 29.74 3ihg h GLN 263 CO -0.02 -0.37 0.25 -0.09 -0.95 0.00 0.00 178.83 177.66 3ihg h ARG 264 N -0.74 0.33 0.39 1.46 9.65 -1.70 -0.41 114.38 123.36 3ihg h ARG 264 Ca -0.06 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3ihg h ARG 264 Cb 0.44 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3ihg h ARG 264 CO 0.10 0.22 -0.19 0.00 2.80 0.00 0.00 179.97 182.90 3ihg h VAL 266 N -0.57 1.15 0.50 0.00 2.07 -0.87 0.48 116.25 118.99 3ihg h VAL 266 Ca -0.05 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3ihg h VAL 266 Cb 0.43 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3ihg h VAL 266 CO 0.09 0.19 -0.31 -0.08 0.02 0.00 0.00 177.57 177.48 3ihg h GLU 267 N 1.06 -0.74 -0.54 1.57 4.81 -0.18 0.12 114.58 120.68 3ihg h GLU 267 Ca 0.33 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3ihg h GLU 267 Cb 0.02 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3ihg h GLU 267 CO -0.10 -0.49 0.28 -0.07 -0.73 0.00 0.00 179.01 177.90 3ihg h LEU 268 N -0.77 0.67 -0.75 1.64 3.38 0.22 0.28 115.31 119.98 3ihg h LEU 268 Ca -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3ihg h LEU 268 Cb 0.62 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3ihg h LEU 268 CO 0.06 0.55 0.42 0.40 0.09 0.00 0.00 178.44 179.96 3ihg h ILE 269 N 0.75 1.22 -0.27 1.22 2.04 -0.78 0.40 117.51 122.10 3ihg h ILE 269 Ca 0.19 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.53 3ihg h ILE 269 Cb 0.05 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 3ihg h ILE 269 CO -0.03 0.25 0.10 1.23 0.00 0.00 0.00 178.15 179.69 3ihg h GLY 270 N 1.03 0.34 0.91 5.37 0.00 0.62 -2.10 103.07 109.23 3ihg h GLY 270 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3ihg h GLY 270 CO -0.04 0.04 0.11 1.41 0.00 0.00 0.00 176.54 178.05 3ihg h LEU 271 N 0.22 0.39 -1.52 3.11 3.38 -0.74 0.08 115.31 120.23 3ihg h LEU 271 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3ihg h LEU 271 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ihg h LEU 271 CO -0.12 0.45 0.06 0.00 0.09 0.00 0.00 178.44 178.92 3ihg h ALA 272 N 0.95 1.62 0.00 1.53 0.00 -0.15 -2.54 119.26 120.68 3ihg h ALA 272 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ihg h ALA 272 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ihg h ALA 272 CO -0.01 0.29 -0.80 1.28 0.00 0.00 0.00 179.25 180.02 3ihg n LEU 273 N -4.38 0.76 -4.08 0.00 4.77 -0.80 -0.75 117.00 112.51 3ihg n LEU 273 Ca 0.01 -0.25 -0.32 0.00 -0.03 0.00 0.00 56.01 55.41 3ihg n LEU 273 Cb 0.16 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3ihg n LEU 273 CO 0.37 0.18 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.89 3ihg n ASP 274 N -1.53 -2.91 -3.64 -1.43 -0.08 -0.01 -4.28 116.55 102.68 3ihg n ASP 274 Ca 0.04 -0.95 -0.19 0.00 -1.51 0.00 0.00 54.79 52.19 3ihg n ASP 274 Cb 0.34 -3.12 -0.16 0.00 2.34 0.00 0.00 41.12 40.52 3ihg n ASP 274 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ihg s ALA 275 N -3.46 -0.03 -2.36 -1.67 0.00 -1.08 -5.03 121.76 108.13 3ihg s ALA 275 Ca 0.53 0.34 0.22 0.00 0.00 0.00 0.00 51.96 53.05 3ihg s ALA 275 Cb -0.28 -0.88 0.54 0.00 0.00 0.00 0.00 23.12 22.49 3ihg s ALA 275 CO 0.89 -0.72 1.45 -2.30 0.00 0.00 0.00 175.76 175.08 3ihg n PRO 276 N 5.31 2.22 0.00 0.00 -0.02 -1.26 -4.00 135.00 137.25 3ihg n PRO 276 Ca -0.05 -1.84 0.03 0.00 -2.02 0.00 0.00 63.50 59.62 3ihg n PRO 276 Cb 0.50 -1.46 0.14 0.00 -0.02 0.00 0.00 33.50 32.66 3ihg n PRO 276 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ihg n GLU 277 N 1.05 0.06 -2.55 -0.52 2.13 -1.26 -4.81 120.64 114.74 3ihg n GLU 277 Ca 0.18 0.29 -0.42 0.00 0.66 0.00 0.00 57.16 57.87 3ihg n GLU 277 Cb 0.50 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.68 3ihg n GLU 277 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3ihg s VAL 278 N -2.72 4.42 -0.38 6.31 -7.23 -1.26 -4.98 120.40 114.56 3ihg s VAL 278 Ca 0.05 1.74 0.04 0.00 -1.81 0.00 0.00 61.98 61.99 3ihg s VAL 278 Cb 0.04 -4.11 0.11 0.00 0.56 0.00 0.00 36.38 32.97 3ihg s VAL 278 CO 0.10 0.07 0.11 -0.54 -0.31 0.00 0.00 175.10 174.52 3ihg s LYS 279 N 1.55 1.54 0.70 4.82 1.02 -1.26 -4.99 119.74 123.12 3ihg s LYS 279 Ca 0.55 -2.00 -0.11 0.00 0.02 0.00 0.00 55.97 54.42 3ihg s LYS 279 Cb -0.24 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3ihg s LYS 279 CO 0.25 -0.99 1.09 -1.25 -0.92 0.00 0.00 175.35 173.53 3ihg s PRO 280 N 0.66 2.85 -0.17 -1.68 0.04 -1.26 -4.83 135.00 130.60 3ihg s PRO 280 Ca 0.12 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.60 3ihg s PRO 280 Cb -0.21 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3ihg s PRO 280 CO -0.07 -1.02 -0.20 -1.21 0.04 0.00 0.00 177.00 174.53 3ihg s GLU 281 N -5.34 2.98 -0.23 4.56 0.41 -0.14 -4.93 118.70 116.01 3ihg s GLU 281 Ca 0.58 -0.83 -0.25 0.00 -0.41 0.00 0.00 54.97 54.06 3ihg s GLU 281 Cb -0.11 -2.53 -0.01 0.00 -1.78 0.00 0.00 34.13 29.70 3ihg s GLU 281 CO 0.51 -0.17 0.83 -0.51 -0.49 0.00 0.00 175.26 175.43 3ihg s LEU 282 N 1.20 4.09 -0.11 1.80 1.43 -1.26 -0.01 118.68 125.82 3ihg s LEU 282 Ca 0.03 1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 53.98 3ihg s LEU 282 Cb -0.14 -3.20 -0.27 0.00 0.03 0.00 0.00 46.19 42.62 3ihg s LEU 282 CO -0.11 -0.50 0.61 0.58 0.23 0.00 0.00 176.35 177.16 3ihg h VAL 283 N 5.40 1.21 -2.25 -1.59 2.07 -1.13 -3.49 116.25 116.49 3ihg h VAL 283 Ca -0.24 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 64.83 3ihg h VAL 283 Cb 1.10 2.84 -0.22 0.00 -1.52 0.00 0.00 31.29 33.49 3ihg h VAL 283 CO 0.87 0.64 -0.00 -0.62 0.02 0.00 0.00 177.57 178.48 3ihg s ASP 284 N -6.89 -0.65 -0.27 0.57 2.15 -1.08 -4.97 116.67 105.52 3ihg s ASP 284 Ca -0.20 1.24 0.02 0.00 0.43 0.00 0.00 52.55 54.05 3ihg s ASP 284 Cb 0.03 1.25 0.07 0.00 -0.30 0.00 0.00 42.92 43.97 3ihg s ASP 284 CO 0.75 -0.21 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.87 3ihg s ILE 285 N 0.43 1.81 -0.11 4.11 1.01 -1.26 -1.64 121.20 125.55 3ihg s ILE 285 Ca -0.01 -1.60 -0.00 0.00 0.00 0.00 0.00 60.65 59.04 3ihg s ILE 285 Cb -0.04 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3ihg s ILE 285 CO -0.01 -0.25 -0.08 -1.58 0.00 0.00 0.00 174.94 173.03 3ihg s GLN 286 N 1.23 1.52 0.30 2.79 2.00 0.20 -4.96 119.66 122.74 3ihg s GLN 286 Ca -0.01 -0.26 -0.28 0.00 -2.00 0.00 0.00 55.36 52.80 3ihg s GLN 286 Cb -0.19 -1.54 -0.09 0.00 0.80 0.00 0.00 33.01 31.99 3ihg s GLN 286 CO -0.08 -0.23 1.03 0.20 -0.50 0.00 0.00 175.29 175.71 3ihg s GLY 287 N 1.57 2.97 -0.02 2.59 0.00 -1.26 -0.57 107.32 112.60 3ihg s GLY 287 Ca 0.02 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.48 3ihg s GLY 287 CO -0.07 1.28 0.01 0.86 0.00 0.00 0.00 173.10 175.18 3ihg s TRP 288 N -1.34 0.10 -0.27 1.90 -0.11 -0.12 -4.94 118.94 114.16 3ihg s TRP 288 Ca 0.47 0.06 -0.12 0.00 1.22 0.00 0.00 56.10 57.74 3ihg s TRP 288 Cb -0.27 -0.22 -0.05 0.00 -1.50 0.00 0.00 33.47 31.44 3ihg s TRP 288 CO 0.34 -0.07 0.22 -2.00 -4.62 0.00 0.00 176.95 170.82 3ihg s GLU 289 N 0.75 3.99 0.10 5.86 2.12 -1.26 -1.66 118.70 128.59 3ihg s GLU 289 Ca -0.07 -0.24 -0.13 0.00 0.36 0.00 0.00 54.97 54.89 3ihg s GLU 289 Cb -0.09 -3.64 -0.06 0.00 0.26 0.00 0.00 34.13 30.60 3ihg s GLU 289 CO -0.02 -0.15 0.49 -1.64 -0.54 0.00 0.00 175.26 173.40 3ihg s MET 290 N 1.68 3.92 0.31 4.30 -1.94 0.39 -4.99 119.30 122.96 3ihg s MET 290 Ca 0.09 0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 54.36 3ihg s MET 290 Cb -0.16 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.69 3ihg s MET 290 CO 0.10 0.54 0.55 0.00 -0.01 0.00 0.00 175.02 176.20 3ihg s ALA 291 N -1.38 -0.07 -0.26 3.03 0.00 -1.26 0.04 121.76 121.85 3ihg s ALA 291 Ca 0.34 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 3ihg s ALA 291 Cb -0.15 1.01 0.08 0.00 0.00 0.00 0.00 23.12 24.06 3ihg s ALA 291 CO 0.18 -0.87 0.04 0.00 0.00 0.00 0.00 175.76 175.11 3ihg s ALA 292 N -3.38 1.58 -0.07 0.00 0.00 -0.80 -2.27 121.76 116.83 3ihg s ALA 292 Ca 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3ihg s ALA 292 Cb -0.02 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.64 3ihg s ALA 292 CO 0.13 -1.43 -0.04 1.03 0.00 0.00 0.00 175.76 175.45 3ihg s ARG 293 N 1.58 0.97 -0.12 0.00 0.52 -0.45 -1.93 118.95 119.53 3ihg s ARG 293 Ca 0.03 -0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3ihg s ARG 293 Cb -0.18 -1.09 -0.01 0.00 0.52 0.00 0.00 34.95 34.20 3ihg s ARG 293 CO -0.15 -0.18 -0.16 0.42 0.02 0.00 0.00 175.30 175.24 3ihg s ILE 294 N 1.41 2.77 0.28 1.52 1.01 0.24 -1.04 121.20 127.39 3ihg s ILE 294 Ca -0.03 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3ihg s ILE 294 Cb -0.13 -2.14 -0.12 0.00 0.01 0.00 0.00 42.46 40.08 3ihg s ILE 294 CO -0.03 0.53 1.58 0.00 0.00 0.00 0.00 174.94 177.03 3ihg n ALA 295 N 3.53 2.39 0.27 9.38 0.00 0.72 -1.67 120.51 135.13 3ihg n ALA 295 Ca -0.18 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.77 3ihg n ALA 295 Cb 0.53 -2.45 0.74 0.00 0.00 0.00 0.00 19.45 18.27 3ihg n ALA 295 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ihg h GLU 296 N 4.87 0.00 -3.92 0.00 4.39 -1.20 -3.43 114.58 115.29 3ihg h GLU 296 Ca -0.46 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.02 3ihg h GLU 296 Cb 1.23 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.63 3ihg h GLU 296 CO 0.80 0.11 -0.72 1.03 -1.16 0.00 0.00 179.01 179.08 3ihg s ARG 297 N -4.17 0.18 0.00 2.33 0.52 -1.26 -5.04 118.95 111.51 3ihg s ARG 297 Ca -0.03 -0.28 0.11 0.00 -0.52 0.00 0.00 55.73 55.02 3ihg s ARG 297 Cb 0.13 -0.02 0.22 0.00 0.52 0.00 0.00 34.95 35.80 3ihg s ARG 297 CO 0.58 -0.00 1.10 0.91 0.02 0.00 0.00 175.30 177.90 3ihg n TRP 298 N 2.45 0.28 -3.64 -0.53 7.02 -1.26 -4.85 117.44 116.90 3ihg n TRP 298 Ca -0.17 -0.29 -0.07 0.00 -1.02 0.00 0.00 57.50 55.95 3ihg n TRP 298 Cb 0.58 -0.01 -0.07 0.00 -2.42 0.00 0.00 31.31 29.38 3ihg n TRP 298 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3ihg s ARG 299 N -0.99 0.61 -0.23 -0.99 3.52 -1.26 -1.37 118.95 118.24 3ihg s ARG 299 Ca 0.20 0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 56.71 3ihg s ARG 299 Cb 0.11 0.19 0.07 0.00 -1.56 0.00 0.00 34.95 33.76 3ihg s ARG 299 CO 0.16 -0.11 0.02 -1.21 -0.81 0.00 0.00 175.30 173.35 3ihg s GLU 300 N 1.10 0.96 4.87 5.12 2.02 -0.32 -5.01 118.70 127.43 3ihg s GLU 300 Ca -0.06 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3ihg s GLU 300 Cb -0.05 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3ihg s GLU 300 CO -0.13 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.86 3ihg n GLY 301 N 4.89 1.03 0.20 -1.39 0.00 -1.26 -1.73 105.19 106.92 3ihg n GLY 301 Ca -0.08 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.34 3ihg n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihg n ARG 302 N 0.00 2.70 -4.19 1.61 1.74 -1.26 -4.96 116.66 112.30 3ihg n ARG 302 Ca 0.00 -1.87 -0.34 0.00 -0.77 0.00 0.00 57.85 54.87 3ihg n ARG 302 Cb 0.00 -1.19 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 3ihg n ARG 302 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ihg s VAL 303 N -1.41 4.44 0.05 1.55 1.01 -0.71 -0.97 120.40 124.36 3ihg s VAL 303 Ca 0.13 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.01 3ihg s VAL 303 Cb 0.09 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3ihg s VAL 303 CO 0.04 0.50 -0.19 -0.36 0.00 0.00 0.00 175.10 175.09 3ihg s PHE 304 N 0.16 1.65 -0.07 5.22 0.08 0.75 -1.18 117.98 124.60 3ihg s PHE 304 Ca 0.02 -0.37 -0.05 0.00 0.12 0.00 0.00 56.93 56.65 3ihg s PHE 304 Cb -0.13 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 3ihg s PHE 304 CO 0.01 0.08 0.14 -0.51 -0.10 0.00 0.00 175.22 174.85 3ihg s LEU 305 N -1.22 4.28 -0.03 -0.37 1.43 -0.47 0.15 118.68 122.45 3ihg s LEU 305 Ca 0.06 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 3ihg s LEU 305 Cb -0.09 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.89 3ihg s LEU 305 CO 0.02 0.35 0.20 0.00 0.23 0.00 0.00 176.35 177.14 3ihg s ALA 306 N -1.13 -0.49 0.00 4.21 0.00 -0.69 -4.83 121.76 118.82 3ihg s ALA 306 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3ihg s ALA 306 Cb -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3ihg s ALA 306 CO 0.10 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3ihg n GLY 307 N 1.91 0.35 0.26 0.00 0.00 -1.26 -3.54 105.19 102.91 3ihg n GLY 307 Ca -0.19 -0.92 0.09 0.00 0.00 0.00 0.00 46.02 45.00 3ihg n GLY 307 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ihg h ASP 308 N 7.12 0.00 -0.20 1.61 5.19 -1.88 -2.10 116.42 126.17 3ihg h ASP 308 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3ihg h ASP 308 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3ihg h ASP 308 CO 0.00 0.09 -0.05 0.00 -3.12 0.00 0.00 179.24 176.15 3ihg h ALA 309 N 1.91 1.31 0.00 3.45 0.00 -1.58 -2.81 119.26 121.55 3ihg h ALA 309 Ca -0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 3ihg h ALA 309 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ihg h ALA 309 CO 0.01 0.46 -1.41 0.00 0.00 0.00 0.00 179.25 178.32 3ihg h ALA 310 N 1.46 0.66 -1.64 0.00 0.00 -1.63 -3.43 119.26 114.69 3ihg h ALA 310 Ca 0.10 -0.88 0.09 0.00 0.00 0.00 0.00 54.91 54.22 3ihg h ALA 310 Cb 0.40 0.28 -0.26 0.00 0.00 0.00 0.00 17.79 18.22 3ihg h ALA 310 CO 0.02 0.96 0.32 -1.59 0.00 0.00 0.00 179.25 178.96 3ihg s LYS 311 N -2.90 0.46 -0.16 0.00 0.00 -0.82 -0.20 119.74 116.13 3ihg s LYS 311 Ca -0.03 0.77 -0.03 0.00 0.00 0.00 0.00 55.97 56.67 3ihg s LYS 311 Cb 0.09 0.11 -0.03 0.00 0.00 0.00 0.00 37.83 38.00 3ihg s LYS 311 CO 0.81 -0.09 -0.04 0.08 0.00 0.00 0.00 175.35 176.10 3ihg s VAL 312 N 1.29 3.81 0.14 1.79 1.01 -0.20 -3.87 120.40 124.37 3ihg s VAL 312 Ca -0.08 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.62 3ihg s VAL 312 Cb -0.04 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3ihg s VAL 312 CO -0.15 0.49 -0.24 0.28 0.00 0.00 0.00 175.10 175.49 3ihg s THR 313 N 0.41 2.08 0.60 3.92 -1.32 -1.25 -1.34 115.64 118.74 3ihg s THR 313 Ca -0.04 -1.77 -0.19 0.00 -1.21 0.00 0.00 61.69 58.47 3ihg s THR 313 Cb -0.14 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.93 3ihg s THR 313 CO 0.03 -0.04 1.19 -2.65 -2.21 0.00 0.00 174.62 170.94 3ihg n PRO 314 N 0.76 1.17 0.05 7.08 -0.02 -0.96 -4.70 135.00 138.38 3ihg n PRO 314 Ca -0.17 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3ihg n PRO 314 Cb 0.54 -2.40 0.33 0.00 -0.02 0.00 0.00 33.50 31.96 3ihg n PRO 314 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ihg n PRO 315 N -1.33 0.07 -1.79 0.52 -0.04 -1.26 -4.78 135.00 126.38 3ihg n PRO 315 Ca 0.14 0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 3ihg n PRO 315 Cb 0.47 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 3ihg n PRO 315 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ihg s THR 316 N -3.15 2.82 0.00 0.52 -4.23 -1.26 -1.52 115.64 108.82 3ihg s THR 316 Ca 0.04 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 3ihg s THR 316 Cb 0.07 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3ihg s THR 316 CO 0.24 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 3ihg n GLY 317 N 4.19 0.65 3.67 3.99 0.00 -1.26 -4.44 105.19 112.00 3ihg n GLY 317 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3ihg n GLY 317 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihg n GLY 318 N -2.03 -0.54 0.27 -0.02 0.00 -0.58 -4.92 105.19 97.37 3ihg n GLY 318 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.36 3ihg n GLY 318 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ihg n MET 319 N -4.93 0.90 0.27 1.61 2.81 -1.26 -4.59 117.12 111.93 3ihg n MET 319 Ca 0.02 -0.55 -0.15 0.00 -1.81 0.00 0.00 57.70 55.21 3ihg n MET 319 Cb 0.55 -1.44 -0.08 0.00 -0.71 0.00 0.00 33.22 31.54 3ihg n MET 319 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3ihg h SER 320 N 1.32 -1.11 -0.38 7.83 0.02 -1.86 -0.80 113.55 118.57 3ihg h SER 320 Ca 0.00 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3ihg h SER 320 Cb 0.61 0.36 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3ihg h SER 320 CO 0.00 -0.57 0.12 1.23 -1.14 0.00 0.00 176.83 176.48 3ihg h GLY 321 N -0.87 0.63 0.38 -3.77 0.00 -1.92 -2.94 103.07 94.58 3ihg h GLY 321 Ca -0.06 -0.37 0.17 0.00 0.00 0.00 0.00 47.33 47.08 3ihg h GLY 321 CO -0.02 0.34 0.59 3.43 0.00 0.00 0.00 176.54 180.88 3ihg h ASN 322 N 0.47 0.56 -0.05 0.19 2.35 -1.78 -1.59 115.58 115.73 3ihg h ASN 322 Ca 0.12 0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.72 3ihg h ASN 322 Cb 0.24 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3ihg h ASN 322 CO -0.01 0.25 -0.73 0.00 -1.65 0.00 0.00 177.43 175.30 3ihg h ALA 323 N 1.61 0.43 -0.36 -0.83 0.00 -0.97 -2.50 119.26 116.64 3ihg h ALA 323 Ca 0.47 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ihg h ALA 323 Cb 0.93 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3ihg h ALA 323 CO -0.22 0.70 0.20 0.00 0.00 0.00 0.00 179.25 179.94 3ihg h ALA 324 N 0.69 0.46 -0.75 0.00 0.00 -1.34 0.12 119.26 118.44 3ihg h ALA 324 Ca -0.04 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ihg h ALA 324 Cb 1.34 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3ihg h ALA 324 CO 0.14 -0.02 0.48 0.28 0.00 0.00 0.00 179.25 180.13 3ihg h VAL 325 N 0.45 1.12 -0.12 0.00 2.07 -1.31 -0.22 116.25 118.25 3ihg h VAL 325 Ca 0.13 -0.32 -0.20 0.00 0.82 0.00 0.00 66.70 67.13 3ihg h VAL 325 Cb 0.05 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3ihg h VAL 325 CO -0.02 0.17 -0.73 0.00 0.02 0.00 0.00 177.57 177.01 3ihg h ALA 326 N 1.31 0.51 -0.69 1.67 0.00 -1.03 -2.00 119.26 119.03 3ihg h ALA 326 Ca 0.30 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3ihg h ALA 326 Cb -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3ihg h ALA 326 CO -0.10 0.73 0.40 -0.44 0.00 0.00 0.00 179.25 179.84 3ihg h ASP 327 N 0.39 0.61 -0.72 0.00 3.32 -0.29 -1.78 116.42 117.96 3ihg h ASP 327 Ca -0.03 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3ihg h ASP 327 Cb 1.32 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 3ihg h ASP 327 CO 0.14 0.40 0.25 1.23 -1.72 0.00 0.00 179.24 179.54 3ihg h GLY 328 N 0.75 1.19 0.94 2.75 0.00 -0.87 -1.36 103.07 106.47 3ihg h GLY 328 Ca 0.30 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3ihg h GLY 328 CO -0.17 0.63 0.15 -2.75 0.00 0.00 0.00 176.54 174.40 3ihg h PHE 329 N 1.07 0.62 0.16 5.60 3.57 -0.87 -0.96 116.94 126.13 3ihg h PHE 329 Ca 0.24 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3ihg h PHE 329 Cb 0.26 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3ihg h PHE 329 CO 0.02 0.56 -0.08 0.22 -2.23 0.00 0.00 178.31 176.81 3ihg h ASP 330 N 0.50 -0.18 0.13 0.41 3.58 -1.12 -2.80 116.42 116.94 3ihg h ASP 330 Ca 0.13 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.51 3ihg h ASP 330 Cb 0.21 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 3ihg h ASP 330 CO -0.01 -0.03 -0.16 0.25 -2.88 0.00 0.00 179.24 176.41 3ihg h LEU 331 N -0.32 -0.44 -0.37 2.28 5.85 -1.20 -2.87 115.31 118.25 3ihg h LEU 331 Ca -0.02 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3ihg h LEU 331 Cb 0.25 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 3ihg h LEU 331 CO 0.04 -0.24 -0.50 0.00 -0.34 0.00 0.00 178.44 177.40 3ihg h ALA 332 N 0.49 -0.73 -0.02 1.25 0.00 -1.16 0.29 119.26 119.37 3ihg h ALA 332 Ca 0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3ihg h ALA 332 Cb 0.33 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3ihg h ALA 332 CO -0.06 -0.97 -0.57 0.11 0.00 0.00 0.00 179.25 177.76 3ihg h TRP 333 N -0.35 0.09 -0.06 0.00 5.08 -1.42 0.30 115.95 119.59 3ihg h TRP 333 Ca 0.07 -0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.97 3ihg h TRP 333 Cb 0.53 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.67 3ihg h TRP 333 CO -0.72 0.62 -0.09 0.87 -1.28 0.00 0.00 178.44 177.84 3ihg h LYS 334 N 0.05 0.16 -0.74 0.12 1.57 -1.37 -2.35 116.57 114.02 3ihg h LYS 334 Ca -0.00 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3ihg h LYS 334 Cb 1.02 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 3ihg h LYS 334 CO 0.08 0.66 0.49 -0.07 -0.57 0.00 0.00 179.45 180.04 3ihg h LEU 335 N -0.32 0.77 -0.29 2.94 3.38 0.43 -2.29 115.31 119.93 3ihg h LEU 335 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ihg h LEU 335 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3ihg h LEU 335 CO 0.02 0.52 0.07 0.00 0.09 0.00 0.00 178.44 179.15 3ihg h ALA 336 N 1.57 0.39 -0.44 1.53 0.00 -0.44 0.78 119.26 122.65 3ihg h ALA 336 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ihg h ALA 336 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ihg h ALA 336 CO -0.09 0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.15 3ihg h ALA 337 N 0.90 1.07 -0.29 0.00 0.00 -1.01 -1.18 119.26 118.76 3ihg h ALA 337 Ca 0.09 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3ihg h ALA 337 Cb 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ihg h ALA 337 CO 0.00 0.58 -0.55 0.28 0.00 0.00 0.00 179.25 179.55 3ihg h VAL 338 N 0.70 1.27 0.00 0.00 2.07 -1.25 0.58 116.25 119.61 3ihg h VAL 338 Ca 0.13 -1.73 -0.08 0.00 0.82 0.00 0.00 66.70 65.83 3ihg h VAL 338 Cb 0.51 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3ihg h VAL 338 CO 0.03 0.57 -0.40 -0.07 0.02 0.00 0.00 177.57 177.72 3ihg h LEU 339 N 0.68 0.00 -0.26 2.57 3.38 -0.44 -2.69 115.31 118.55 3ihg h LEU 339 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ihg h LEU 339 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ihg h LEU 339 CO 0.12 0.40 -0.31 0.00 0.09 0.00 0.00 178.44 178.74 3ihg n GLN 340 N -3.73 0.48 -0.48 1.13 6.02 -0.48 -4.92 117.38 115.41 3ihg n GLN 340 Ca -0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 3ihg n GLN 340 Cb 0.48 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3ihg n GLN 340 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ihg n GLY 341 N 1.39 0.74 0.14 1.08 0.00 -1.02 -4.95 105.19 102.58 3ihg n GLY 341 Ca 0.10 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.97 3ihg n GLY 341 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ihg h GLN 342 N 1.57 0.00 -4.16 1.61 4.20 -0.10 -3.47 115.11 114.76 3ihg h GLN 342 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3ihg h GLN 342 Cb 0.00 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.62 3ihg h GLN 342 CO 0.00 0.26 -0.67 0.00 -0.67 0.00 0.00 178.83 177.74 3ihg s ALA 343 N -3.08 0.39 0.74 3.87 0.00 -0.75 -4.92 121.76 118.02 3ihg s ALA 343 Ca 0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3ihg s ALA 343 Cb 0.08 0.25 0.10 0.00 0.00 0.00 0.00 23.12 23.55 3ihg s ALA 343 CO 0.76 -0.33 1.04 0.20 0.00 0.00 0.00 175.76 177.43 3ihg s GLY 344 N -2.58 1.74 0.52 0.00 0.00 -0.11 -4.34 107.32 102.55 3ihg s GLY 344 Ca 0.02 -1.27 0.24 0.00 0.00 0.00 0.00 44.72 43.71 3ihg s GLY 344 CO -0.08 -0.76 2.09 0.00 0.00 0.00 0.00 173.10 174.34 3ihg h ALA 345 N -0.70 1.44 -0.94 3.20 0.00 -1.88 -2.49 119.26 117.89 3ihg h ALA 345 Ca -0.42 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 54.65 3ihg h ALA 345 Cb 1.28 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3ihg h ALA 345 CO 0.49 0.14 0.65 0.78 0.00 0.00 0.00 179.25 181.31 3ihg h GLY 346 N 0.61 0.35 1.00 0.00 0.00 -1.90 0.21 103.07 103.33 3ihg h GLY 346 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3ihg h GLY 346 CO 0.01 -0.02 0.63 -2.00 0.00 0.00 0.00 176.54 175.16 3ihg h LEU 347 N 0.14 1.06 -2.10 3.11 5.85 -1.72 -1.62 115.31 120.03 3ihg h LEU 347 Ca 0.47 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3ihg h LEU 347 Cb 1.61 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3ihg h LEU 347 CO -0.08 0.75 0.12 -0.07 -0.34 0.00 0.00 178.44 178.82 3ihg h LEU 348 N 1.24 0.00 -0.30 2.25 3.38 -1.16 0.14 115.31 120.85 3ihg h LEU 348 Ca 0.36 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 3ihg h LEU 348 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ihg h LEU 348 CO -0.10 0.00 -0.77 0.44 0.09 0.00 0.00 178.44 178.10 3ihg h ASP 349 N 0.00 0.00 -0.19 -0.43 3.32 -1.40 -3.02 116.42 114.70 3ihg h ASP 349 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 3ihg h ASP 349 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3ihg h ASP 349 CO 0.00 0.77 0.16 0.71 -1.72 0.00 0.00 179.24 179.17 3ihg h THR 350 N 0.00 0.71 -0.12 0.35 1.35 -1.07 -2.68 112.91 111.45 3ihg h THR 350 Ca -0.01 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.89 3ihg h THR 350 Cb 1.45 0.88 -0.07 0.00 -1.73 0.00 0.00 68.15 68.69 3ihg h THR 350 CO 0.10 0.00 -0.46 0.22 -0.25 0.00 0.00 175.52 175.13 3ihg h TYR 351 N 0.00 -1.35 0.65 4.73 3.20 -1.63 -0.14 116.97 122.43 3ihg h TYR 351 Ca 0.09 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3ihg h TYR 351 Cb 0.42 0.61 0.01 0.00 1.54 0.00 0.00 36.73 39.30 3ihg h TYR 351 CO 0.00 -0.51 -0.31 1.49 -1.64 0.00 0.00 178.16 177.19 3ihg h GLU 352 N -0.54 -0.84 -0.90 1.82 4.81 -1.68 0.23 114.58 117.49 3ihg h GLU 352 Ca 0.06 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.58 3ihg h GLU 352 Cb 0.65 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.09 3ihg h GLU 352 CO -0.41 -0.55 0.37 -0.44 -0.73 0.00 0.00 179.01 177.25 3ihg h ASP 353 N -0.90 0.26 0.00 1.04 3.32 -1.34 0.26 116.42 119.06 3ihg h ASP 353 Ca -0.09 0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3ihg h ASP 353 Cb 0.68 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3ihg h ASP 353 CO 0.15 -0.05 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.00 3ihg h GLU 354 N 0.34 0.00 0.00 3.56 5.08 -0.94 -3.28 114.58 119.34 3ihg h GLU 354 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 3ihg h GLU 354 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3ihg h GLU 354 CO -0.57 0.68 -0.08 0.00 -1.00 0.00 0.00 179.01 178.05 3ihg h ARG 355 N -1.00 0.00 -0.08 2.33 2.47 -0.30 -1.63 114.38 116.17 3ihg h ARG 355 Ca -0.07 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.46 3ihg h ARG 355 Cb 0.78 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3ihg h ARG 355 CO -0.04 0.00 -0.76 -0.22 0.56 0.00 0.00 179.97 179.51 3ihg h LYS 356 N 0.00 0.48 -0.13 0.04 3.64 -0.64 -0.63 116.57 119.33 3ihg h LYS 356 Ca 0.00 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3ihg h LYS 356 Cb 0.96 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3ihg h LYS 356 CO 0.00 1.03 -0.04 0.28 -2.27 0.00 0.00 179.45 178.46 3ihg h VAL 357 N 0.32 1.30 -1.01 2.00 2.07 -1.56 -2.86 116.25 116.50 3ihg h VAL 357 Ca -0.04 -1.00 0.23 0.00 0.82 0.00 0.00 66.70 66.71 3ihg h VAL 357 Cb 1.35 1.70 -0.11 0.00 -1.52 0.00 0.00 31.29 32.71 3ihg h VAL 357 CO 0.14 0.29 0.62 0.00 0.02 0.00 0.00 177.57 178.63 3ihg h ALA 358 N 0.69 1.86 -0.50 1.67 0.00 -1.24 -0.03 119.26 121.71 3ihg h ALA 358 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ihg h ALA 358 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ihg h ALA 358 CO 0.01 -0.28 0.32 0.00 0.00 0.00 0.00 179.25 179.30 3ihg h ALA 359 N 1.67 0.64 -0.66 0.00 0.00 -0.94 0.09 119.26 120.05 3ihg h ALA 359 Ca 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 3ihg h ALA 359 Cb 1.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3ihg h ALA 359 CO -0.39 0.10 0.34 0.93 0.00 0.00 0.00 179.25 180.23 3ihg h GLU 360 N 0.67 0.94 -0.51 0.00 5.08 -0.85 -0.71 114.58 119.21 3ihg h GLU 360 Ca 0.18 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3ihg h GLU 360 Cb -0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 3ihg h GLU 360 CO -0.04 0.73 0.34 -0.07 -1.00 0.00 0.00 179.01 178.97 3ihg h LEU 361 N 0.91 0.58 -0.17 1.33 3.38 -0.72 -2.02 115.31 118.61 3ihg h LEU 361 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3ihg h LEU 361 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ihg h LEU 361 CO -0.03 0.42 0.06 0.58 0.09 0.00 0.00 178.44 179.56 3ihg h VAL 362 N 0.69 1.17 -0.73 1.22 2.07 -0.50 -2.20 116.25 117.97 3ihg h VAL 362 Ca 0.19 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3ihg h VAL 362 Cb -0.07 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3ihg h VAL 362 CO -0.05 0.16 0.45 0.58 0.02 0.00 0.00 177.57 178.73 3ihg h VAL 363 N 0.11 1.07 -0.65 2.57 2.07 -1.17 0.26 116.25 120.51 3ihg h VAL 363 Ca 0.06 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3ihg h VAL 363 Cb 0.20 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3ihg h VAL 363 CO -0.00 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.86 3ihg h ALA 364 N 1.32 0.86 -0.37 1.67 0.00 -1.27 0.72 119.26 122.19 3ihg h ALA 364 Ca 0.30 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3ihg h ALA 364 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ihg h ALA 364 CO -0.13 0.61 -0.34 1.49 0.00 0.00 0.00 179.25 180.88 3ihg h GLU 365 N 0.98 0.83 -0.33 0.00 4.57 -1.08 -1.75 114.58 117.81 3ihg h GLU 365 Ca 0.20 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 3ihg h GLU 365 Cb 0.42 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3ihg h GLU 365 CO 0.01 1.04 0.08 0.00 -1.18 0.00 0.00 179.01 178.96 3ihg h ALA 366 N 0.92 0.44 -0.11 2.92 0.00 -0.52 -0.86 119.26 122.05 3ihg h ALA 366 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ihg h ALA 366 Cb 0.90 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ihg h ALA 366 CO 0.08 0.11 -0.02 -0.07 0.00 0.00 0.00 179.25 179.35 3ihg h LEU 367 N 0.38 -0.08 -0.96 0.00 3.38 -0.82 0.61 115.31 117.82 3ihg h LEU 367 Ca 0.10 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.20 3ihg h LEU 367 Cb 0.30 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3ihg h LEU 367 CO 0.00 -0.03 0.60 0.00 0.09 0.00 0.00 178.44 179.10 3ihg h ALA 368 N 1.10 1.39 -0.34 1.53 0.00 -1.11 -0.62 119.26 121.23 3ihg h ALA 368 Ca 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3ihg h ALA 368 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ihg h ALA 368 CO -0.10 0.25 -0.26 0.82 0.00 0.00 0.00 179.25 179.96 3ihg h ILE 369 N 0.99 1.29 -0.98 0.00 2.04 -0.89 -1.30 117.51 118.65 3ihg h ILE 369 Ca 0.45 -1.41 0.17 0.00 1.00 0.00 0.00 64.86 65.07 3ihg h ILE 369 Cb 0.37 1.45 -0.10 0.00 -0.74 0.00 0.00 36.82 37.80 3ihg h ILE 369 CO -0.24 0.46 0.59 0.22 0.00 0.00 0.00 178.15 179.19 3ihg h TYR 370 N 0.54 1.05 0.01 1.37 3.20 0.28 -0.11 116.97 123.31 3ihg h TYR 370 Ca 0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ihg h TYR 370 Cb 0.82 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3ihg h TYR 370 CO 0.07 0.28 -0.01 0.00 -1.64 0.00 0.00 178.16 176.86 3ihg h ALA 371 N 1.61 -0.02 0.00 1.82 0.00 -0.89 0.25 119.26 122.03 3ihg h ALA 371 Ca 0.55 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ihg h ALA 371 Cb 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ihg h ALA 371 CO -0.35 -0.25 -0.26 1.96 0.00 0.00 0.00 179.25 180.34 3ihg h GLN 372 N -0.53 0.00 0.00 0.00 1.08 -0.80 0.85 115.11 115.71 3ihg h GLN 372 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ihg h GLN 372 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3ihg h GLN 372 CO 0.00 0.26 -1.21 0.54 -0.95 0.00 0.00 178.83 177.47 3ihg n ARG 373 N -4.06 0.38 0.00 1.46 1.74 -0.09 -4.77 116.66 111.32 3ihg n ARG 373 Ca -0.02 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3ihg n ARG 373 Cb 0.33 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3ihg n ARG 373 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3ihg n MET 374 N -1.67 1.89 -3.17 5.56 2.81 0.63 -4.87 117.12 118.29 3ihg n MET 374 Ca -0.01 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.65 3ihg n MET 374 Cb 0.14 -0.83 -0.07 0.00 -0.71 0.00 0.00 33.22 31.76 3ihg n MET 374 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ihg n ALA 375 N -1.67 2.28 -0.03 3.04 0.00 0.20 -4.97 120.51 119.36 3ihg n ALA 375 Ca 0.00 -3.33 0.23 0.00 0.00 0.00 0.00 53.44 50.34 3ihg n ALA 375 Cb 0.33 -0.83 0.72 0.00 0.00 0.00 0.00 19.45 19.66 3ihg n ALA 375 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ihg h PRO 376 N 3.99 0.00 0.00 0.00 0.11 -1.10 0.20 132.00 135.21 3ihg h PRO 376 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3ihg h PRO 376 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3ihg h PRO 376 CO 0.46 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.86 3ihg n HIS 377 N -4.16 0.00 0.72 0.65 1.44 -1.26 -2.95 115.22 109.65 3ihg n HIS 377 Ca 0.12 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.90 3ihg n HIS 377 Cb 0.73 -0.24 -0.06 0.00 0.12 0.00 0.00 29.99 30.54 3ihg n HIS 377 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3ihg n MET 378 N -1.24 1.89 0.12 -1.40 2.81 0.06 -4.71 117.12 114.65 3ihg n MET 378 Ca 0.08 -0.25 0.15 0.00 -1.81 0.00 0.00 57.70 55.86 3ihg n MET 378 Cb 0.10 -1.23 0.40 0.00 -0.71 0.00 0.00 33.22 31.78 3ihg n MET 378 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ihg h ALA 379 N 2.35 2.22 0.00 3.04 0.00 -1.66 0.35 119.26 125.56 3ihg h ALA 379 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3ihg h ALA 379 Cb 0.42 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ihg h ALA 379 CO 0.00 -1.08 -1.38 0.93 0.00 0.00 0.00 179.25 177.72 3ihg h GLU 380 N 0.00 0.00 -0.56 0.00 4.39 -1.87 -3.33 114.58 113.20 3ihg h GLU 380 Ca 0.19 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.01 3ihg h GLU 380 Cb 1.93 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.55 3ihg h GLU 380 CO -0.00 0.43 0.38 0.28 -1.16 0.00 0.00 179.01 178.94 3ihg h VAL 381 N 0.00 0.84 -3.80 3.13 2.07 -0.63 -3.41 116.25 114.44 3ihg h VAL 381 Ca -0.17 -0.09 -0.45 0.00 0.82 0.00 0.00 66.70 66.81 3ihg h VAL 381 Cb 1.71 0.56 -0.20 0.00 -1.52 0.00 0.00 31.29 31.84 3ihg h VAL 381 CO 0.06 0.05 -0.78 0.26 0.02 0.00 0.00 177.57 177.18 3ihg s TRP 382 N -5.26 1.41 0.52 1.57 0.51 -1.25 -5.12 118.94 111.32 3ihg s TRP 382 Ca -0.07 -0.48 -0.20 0.00 -2.12 0.00 0.00 56.10 53.23 3ihg s TRP 382 Cb 0.20 -0.76 -0.10 0.00 -0.81 0.00 0.00 33.47 31.99 3ihg s TRP 382 CO 0.74 0.12 0.60 -0.25 -0.51 0.00 0.00 176.95 177.65 3ihg n ASP 383 N 0.96 -0.69 -4.77 2.95 10.43 -1.26 -4.89 116.55 119.27 3ihg n ASP 383 Ca -0.19 0.82 -0.33 0.00 2.57 0.00 0.00 54.79 57.66 3ihg n ASP 383 Cb 0.55 -1.18 0.05 0.00 1.84 0.00 0.00 41.12 42.38 3ihg n ASP 383 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3ihg s LYS 384 N -1.96 2.75 0.29 -1.24 2.20 -1.26 -4.66 119.74 115.85 3ihg s LYS 384 Ca 0.67 1.43 -0.29 0.00 -0.36 0.00 0.00 55.97 57.42 3ihg s LYS 384 Cb -0.50 -1.94 -0.13 0.00 -1.51 0.00 0.00 37.83 33.75 3ihg s LYS 384 CO 0.55 -1.30 1.24 0.45 -0.36 0.00 0.00 175.35 175.94 3ihg n SER 385 N -2.41 2.28 0.00 1.43 2.88 -1.26 -4.87 113.62 111.67 3ihg n SER 385 Ca 0.11 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.94 3ihg n SER 385 Cb 0.52 -1.40 0.26 0.00 -0.75 0.00 0.00 64.21 62.84 3ihg n SER 385 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3ihg n VAL 386 N 0.85 0.02 0.00 2.46 0.31 -1.26 -5.00 118.33 115.71 3ihg n VAL 386 Ca 0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3ihg n VAL 386 Cb 0.33 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3ihg n VAL 386 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ihg n GLY 387 N 1.49 3.49 0.10 2.92 0.00 -1.26 -4.72 105.19 107.21 3ihg n GLY 387 Ca 0.05 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 3ihg n GLY 387 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ihg h TYR 388 N 0.00 -0.14 0.00 1.61 5.03 -1.99 -1.81 116.97 119.67 3ihg h TYR 388 Ca 0.00 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 3ihg h TYR 388 Cb 0.00 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 3ihg h TYR 388 CO 0.00 -0.02 -0.36 -1.35 -1.32 0.00 0.00 178.16 175.11 3ihg h PRO 389 N -0.24 0.00 -0.20 1.82 0.11 -1.98 -1.37 132.00 130.14 3ihg h PRO 389 Ca -0.02 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3ihg h PRO 389 Cb 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3ihg h PRO 389 CO 0.03 0.36 -0.42 1.05 -0.21 0.00 0.00 178.00 178.81 3ihg h GLU 390 N 0.00 0.47 -0.43 1.05 9.09 -1.79 0.24 114.58 123.22 3ihg h GLU 390 Ca -0.00 -0.24 -0.13 0.00 0.05 0.00 0.00 59.36 59.04 3ihg h GLU 390 Cb 0.80 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.90 3ihg h GLU 390 CO 0.05 0.81 -0.24 1.15 0.05 0.00 0.00 179.01 180.82 3ihg h THR 391 N 0.39 1.27 0.04 -1.06 2.02 -0.95 -0.48 112.91 114.14 3ihg h THR 391 Ca 0.03 -1.40 -0.30 0.00 0.77 0.00 0.00 66.41 65.51 3ihg h THR 391 Cb 0.90 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 3ihg h THR 391 CO 0.08 0.48 -1.67 -0.07 0.37 0.00 0.00 175.52 174.70 3ihg h LEU 392 N 0.75 0.14 0.00 2.58 3.38 -1.18 -3.40 115.31 117.58 3ihg h LEU 392 Ca 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ihg h LEU 392 Cb 0.82 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3ihg h LEU 392 CO 0.07 1.24 -0.80 0.18 0.09 0.00 0.00 178.44 179.21 3ihg n LEU 393 N -3.22 0.00 -0.82 1.67 4.77 0.73 -4.70 117.00 115.42 3ihg n LEU 393 Ca -0.18 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.88 3ihg n LEU 393 Cb 1.04 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 42.36 3ihg n LEU 393 CO 0.46 0.00 0.69 0.61 -1.33 0.00 0.00 177.39 177.82 3ihg n GLY 394 N 2.48 1.06 3.75 -0.72 0.00 -0.46 -4.60 105.19 106.71 3ihg n GLY 394 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3ihg n GLY 394 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ihg s PHE 395 N -1.45 2.35 -0.03 1.61 -0.12 -0.25 -1.26 117.98 118.83 3ihg s PHE 395 Ca 0.31 1.37 0.06 0.00 -0.05 0.00 0.00 56.93 58.63 3ihg s PHE 395 Cb 0.17 -3.79 -0.02 0.00 -0.63 0.00 0.00 43.02 38.74 3ihg s PHE 395 CO 0.22 -2.81 -0.21 0.50 -0.05 0.00 0.00 175.22 172.87 3ihg s ARG 396 N -2.83 2.26 -0.06 1.99 3.52 0.11 -4.45 118.95 119.49 3ihg s ARG 396 Ca 0.70 -0.84 -0.10 0.00 -0.13 0.00 0.00 55.73 55.36 3ihg s ARG 396 Cb -0.40 -2.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.76 3ihg s ARG 396 CO 0.48 0.58 0.25 0.71 -0.81 0.00 0.00 175.30 176.51 3ihg s TYR 397 N -0.68 3.64 -0.06 5.12 2.02 -0.50 -4.87 117.35 122.02 3ihg s TYR 397 Ca 0.11 0.70 0.04 0.00 -0.37 0.00 0.00 57.07 57.54 3ihg s TYR 397 Cb -0.10 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 3ihg s TYR 397 CO -0.00 0.69 -0.17 1.03 -1.57 0.00 0.00 175.55 175.52 3ihg s ARG 398 N -1.16 2.06 0.04 -0.62 1.81 -1.26 -4.40 118.95 115.42 3ihg s ARG 398 Ca 0.20 -0.62 -0.13 0.00 -1.72 0.00 0.00 55.73 53.46 3ihg s ARG 398 Cb -0.14 -1.69 0.04 0.00 -0.45 0.00 0.00 34.95 32.71 3ihg s ARG 398 CO 0.09 0.17 0.61 -1.13 -0.68 0.00 0.00 175.30 174.36 3ihg n SER 399 N 3.42 -0.75 0.00 0.23 3.41 -1.26 -4.40 113.62 114.27 3ihg n SER 399 Ca -0.20 -1.29 0.03 0.00 -0.26 0.00 0.00 58.87 57.16 3ihg n SER 399 Cb 0.53 1.20 0.15 0.00 -0.26 0.00 0.00 64.21 65.82 3ihg n SER 399 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ihg n SER 400 N -0.78 0.00 -1.14 4.04 3.41 -1.26 -1.50 113.62 116.39 3ihg n SER 400 Ca 0.01 0.41 0.08 0.00 -0.26 0.00 0.00 58.87 59.11 3ihg n SER 400 Cb 0.30 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 64.08 3ihg n SER 400 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ihg n ALA 401 N -1.44 2.70 -3.85 7.33 0.00 -1.26 -4.31 120.51 119.68 3ihg n ALA 401 Ca 0.02 -1.55 -0.27 0.00 0.00 0.00 0.00 53.44 51.64 3ihg n ALA 401 Cb 0.07 -0.77 -0.17 0.00 0.00 0.00 0.00 19.45 18.59 3ihg n ALA 401 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ihg s VAL 402 N -1.65 0.92 -1.03 0.00 1.01 -0.56 -4.71 120.40 114.37 3ihg s VAL 402 Ca 0.41 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3ihg s VAL 402 Cb 0.26 -1.16 0.23 0.00 0.00 0.00 0.00 36.38 35.71 3ihg s VAL 402 CO 0.20 0.07 1.08 -0.76 0.00 0.00 0.00 175.10 175.69 3ihg s LEU 403 N 1.71 6.08 0.01 3.92 1.43 0.32 -4.53 118.68 127.63 3ihg s LEU 403 Ca 0.01 -3.06 -0.07 0.00 -1.03 0.00 0.00 54.13 49.98 3ihg s LEU 403 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 3ihg s LEU 403 CO -0.07 -0.54 0.29 0.00 0.23 0.00 0.00 176.35 176.25 3ihg s ALA 404 N 0.11 3.83 -0.16 4.21 0.00 -1.26 -4.55 121.76 123.94 3ihg s ALA 404 Ca 0.30 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 3ihg s ALA 404 Cb -0.08 -2.10 -0.23 0.00 0.00 0.00 0.00 23.12 20.71 3ihg s ALA 404 CO -0.07 0.63 0.27 2.41 0.00 0.00 0.00 175.76 179.00 3ihg n THR 405 N 1.16 1.68 -1.46 0.00 -1.04 -1.26 -4.97 114.28 108.39 3ihg n THR 405 Ca -0.11 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.05 61.19 3ihg n THR 405 Cb 0.53 -1.84 0.17 0.00 -1.82 0.00 0.00 70.33 67.36 3ihg n THR 405 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3ihg s ASP 406 N -6.98 2.83 -0.44 8.00 -4.77 -1.26 -5.04 116.67 109.01 3ihg s ASP 406 Ca -0.26 0.83 0.04 0.00 -3.30 0.00 0.00 52.55 49.86 3ihg s ASP 406 Cb 0.07 -1.28 0.17 0.00 -1.09 0.00 0.00 42.92 40.79 3ihg s ASP 406 CO 0.69 -2.96 0.34 -0.62 0.70 0.00 0.00 175.17 173.33 3ihg s ASP 407 N -4.05 2.03 -0.17 2.11 2.15 -1.26 -5.08 116.67 112.40 3ihg s ASP 407 Ca 0.67 -3.08 -0.16 0.00 0.43 0.00 0.00 52.55 50.42 3ihg s ASP 407 Cb -0.13 -0.60 -0.04 0.00 -0.30 0.00 0.00 42.92 41.85 3ihg s ASP 407 CO 0.54 -0.17 0.37 -0.62 -0.17 0.00 0.00 175.17 175.12 3ihg s ASP 408 N -0.03 6.49 0.00 -0.34 3.68 -1.26 -4.97 116.67 120.24 3ihg s ASP 408 Ca 0.30 0.58 0.22 0.00 2.13 0.00 0.00 52.55 55.78 3ihg s ASP 408 Cb -0.00 -2.22 0.95 0.00 -1.45 0.00 0.00 42.92 40.20 3ihg s ASP 408 CO -0.17 0.01 1.72 -0.81 0.13 0.00 0.00 175.17 176.04 3ihg n PRO 409 N 3.94 0.00 -1.73 4.34 -0.04 -1.26 -4.86 135.00 135.40 3ihg n PRO 409 Ca -0.09 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 3ihg n PRO 409 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 3ihg n PRO 409 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ihg n ALA 410 N -1.50 1.72 0.82 0.55 0.00 -1.26 -4.91 120.51 115.93 3ihg n ALA 410 Ca 0.05 0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.94 3ihg n ALA 410 Cb 0.26 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.39 3ihg n ALA 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ihg n ARG 411 N 0.67 1.51 -3.93 0.00 1.74 -1.26 -4.89 116.66 110.51 3ihg n ARG 411 Ca 0.04 -0.92 -0.09 0.00 -0.77 0.00 0.00 57.85 56.12 3ihg n ARG 411 Cb 0.37 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3ihg n ARG 411 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ihg s VAL 412 N -2.10 0.15 0.15 1.55 -7.23 -1.26 -0.71 120.40 110.94 3ihg s VAL 412 Ca 0.16 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 3ihg s VAL 412 Cb 0.15 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 3ihg s VAL 412 CO 0.46 -0.67 0.01 -1.83 -0.31 0.00 0.00 175.10 172.75 3ihg s GLU 413 N -3.89 1.00 -0.00 4.82 -1.05 -0.39 -4.94 118.70 114.26 3ihg s GLU 413 Ca 0.07 -1.47 -0.30 0.00 -0.15 0.00 0.00 54.97 53.13 3ihg s GLU 413 Cb 0.05 -0.10 -0.07 0.00 -0.44 0.00 0.00 34.13 33.57 3ihg s GLU 413 CO -0.09 -0.15 1.77 1.21 0.95 0.00 0.00 175.26 178.94 3ihg s ASN 414 N -3.11 6.58 0.38 0.83 3.84 -1.26 -4.42 114.94 117.77 3ihg s ASN 414 Ca 0.22 2.43 0.28 0.00 0.21 0.00 0.00 52.86 56.00 3ihg s ASN 414 Cb 0.06 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.34 3ihg s ASN 414 CO 0.02 -0.97 1.82 1.55 -2.79 0.00 0.00 177.10 176.73 3ihg h PRO 415 N 9.70 0.00 0.00 0.43 0.13 -1.89 -2.85 132.00 137.52 3ihg h PRO 415 Ca -0.43 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.60 3ihg h PRO 415 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3ihg h PRO 415 CO 0.95 0.00 -0.48 -0.07 -0.23 0.00 0.00 178.00 178.17 3ihg h LEU 416 N 0.00 0.00 -6.74 1.56 3.38 -1.93 -3.36 115.31 108.22 3ihg h LEU 416 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3ihg h LEU 416 Cb 0.46 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.79 3ihg h LEU 416 CO 0.00 0.48 -0.66 0.35 0.09 0.00 0.00 178.44 178.70 3ihg n THR 417 N -3.29 1.27 -1.60 0.22 -2.24 -1.08 -4.97 114.28 102.59 3ihg n THR 417 Ca 0.01 -4.70 -0.31 0.00 -2.27 0.00 0.00 64.05 56.79 3ihg n THR 417 Cb 0.68 -2.08 0.05 0.00 -2.10 0.00 0.00 70.33 66.88 3ihg n THR 417 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ihg s PRO 418 N -1.46 2.97 0.15 -0.78 0.04 -1.24 -4.59 135.00 130.09 3ihg s PRO 418 Ca 0.30 0.97 0.23 0.00 0.04 0.00 0.00 61.00 62.53 3ihg s PRO 418 Cb 0.02 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3ihg s PRO 418 CO -0.14 -1.08 0.98 -1.13 0.04 0.00 0.00 177.00 175.68 3ihg n SER 419 N -3.06 0.69 0.00 6.66 3.41 -1.26 -4.98 113.62 115.08 3ihg n SER 419 Ca 0.08 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3ihg n SER 419 Cb 0.53 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 3ihg n SER 419 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihg n GLY 420 N 1.23 0.17 3.75 5.00 0.00 -1.13 -4.51 105.19 109.70 3ihg n GLY 420 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3ihg n GLY 420 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihg s ARG 421 N -1.32 2.91 0.28 1.61 0.52 -1.26 -4.80 118.95 116.89 3ihg s ARG 421 Ca 0.00 1.80 -0.27 0.00 -0.52 0.00 0.00 55.73 56.73 3ihg s ARG 421 Cb 0.00 -1.92 -0.15 0.00 0.52 0.00 0.00 34.95 33.40 3ihg s ARG 421 CO 0.00 -1.25 0.84 -2.30 0.02 0.00 0.00 175.30 172.62 3ihg n PRO 422 N -1.70 0.93 0.00 3.54 -0.02 -1.26 -2.67 135.00 133.82 3ihg n PRO 422 Ca 0.13 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3ihg n PRO 422 Cb 0.50 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3ihg n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihg n GLY 423 N 1.47 3.39 3.98 -1.23 0.00 0.90 -4.88 105.19 108.82 3ihg n GLY 423 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3ihg n GLY 423 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihg s PHE 424 N -2.80 3.29 0.23 1.61 0.08 -1.09 -1.40 117.98 117.89 3ihg s PHE 424 Ca 0.00 -0.08 -0.32 0.00 0.12 0.00 0.00 56.93 56.65 3ihg s PHE 424 Cb 0.00 -1.82 -0.13 0.00 -0.57 0.00 0.00 43.02 40.50 3ihg s PHE 424 CO 0.00 0.18 1.42 0.54 -0.10 0.00 0.00 175.22 177.26 3ihg n ARG 425 N -1.57 2.03 -1.65 0.44 1.74 -1.26 -1.34 116.66 115.05 3ihg n ARG 425 Ca -0.04 0.72 -0.50 0.00 -0.77 0.00 0.00 57.85 57.26 3ihg n ARG 425 Cb 0.57 -2.39 -0.05 0.00 -1.02 0.00 0.00 32.46 29.57 3ihg n ARG 425 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ihg n GLY 426 N 2.29 0.89 3.62 -0.13 0.00 -0.52 -4.77 105.19 106.56 3ihg n GLY 426 Ca 0.12 0.74 -0.37 0.00 0.00 0.00 0.00 46.02 46.52 3ihg n GLY 426 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ihg n PRO 427 N 3.82 0.73 -2.48 1.61 -0.02 -1.26 -4.81 135.00 132.59 3ihg n PRO 427 Ca 0.20 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 3ihg n PRO 427 Cb 0.23 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3ihg n PRO 427 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ihg s HIS 428 N -1.63 3.06 -0.02 6.00 5.65 -1.26 -4.44 115.29 122.64 3ihg s HIS 428 Ca 0.76 1.17 -0.01 0.00 0.25 0.00 0.00 55.06 57.23 3ihg s HIS 428 Cb -0.38 -3.43 0.02 0.00 -1.18 0.00 0.00 32.58 27.61 3ihg s HIS 428 CO 0.48 -1.33 0.05 0.08 -0.65 0.00 0.00 174.74 173.36 3ihg s VAL 429 N 2.95 -0.03 0.04 0.89 1.01 -1.26 -4.92 120.40 119.08 3ihg s VAL 429 Ca 0.53 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 3ihg s VAL 429 Cb -0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 3ihg s VAL 429 CO 0.16 0.05 1.07 -0.76 0.00 0.00 0.00 175.10 175.62 3ihg s LEU 430 N 0.65 4.38 0.00 3.92 1.43 -1.26 -0.79 118.68 127.02 3ihg s LEU 430 Ca -0.05 1.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 3ihg s LEU 430 Cb -0.07 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3ihg s LEU 430 CO -0.02 -0.33 0.46 1.33 0.23 0.00 0.00 176.35 178.03 3ihg n VAL 431 N 3.76 0.00 -3.77 -1.59 0.24 -0.69 -4.80 118.33 111.48 3ihg n VAL 431 Ca 0.07 -1.50 -0.13 0.00 -2.04 0.00 0.00 64.34 60.74 3ihg n VAL 431 Cb 0.49 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.72 3ihg n VAL 431 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3ihg s SER 432 N -2.91 -0.23 -0.63 -1.34 1.04 -1.07 -1.10 113.70 107.46 3ihg s SER 432 Ca 0.24 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 56.83 3ihg s SER 432 Cb -0.01 0.45 0.16 0.00 0.10 0.00 0.00 66.02 66.71 3ihg s SER 432 CO 0.18 -0.30 0.57 -0.13 0.98 0.00 0.00 173.24 174.54 3ihg s ARG 433 N -0.70 3.12 -0.43 4.02 0.52 0.21 -0.89 118.95 124.80 3ihg s ARG 433 Ca -0.08 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.16 3ihg s ARG 433 Cb -0.04 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.14 3ihg s ARG 433 CO 0.02 -1.30 0.00 0.72 0.02 0.00 0.00 175.30 174.76 3ihg n HIS 434 N 4.77 0.00 0.00 -0.53 8.25 -1.26 -1.12 115.22 125.33 3ihg n HIS 434 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3ihg n HIS 434 Cb 0.42 -2.09 0.00 0.00 1.12 0.00 0.00 29.99 29.44 3ihg n HIS 434 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ihg n GLY 435 N 0.31 1.22 3.63 -1.41 0.00 -1.26 -5.09 105.19 102.59 3ihg n GLY 435 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3ihg n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ihg s GLU 436 N 0.00 4.09 -0.17 1.61 2.12 -0.28 -4.99 118.70 121.09 3ihg s GLU 436 Ca 0.00 0.66 -0.16 0.00 0.36 0.00 0.00 54.97 55.82 3ihg s GLU 436 Cb 0.00 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 3ihg s GLU 436 CO 0.00 -0.50 0.40 1.03 -0.54 0.00 0.00 175.26 175.65 3ihg s ARG 437 N 2.69 4.25 0.12 4.30 1.81 -1.26 0.66 118.95 131.51 3ihg s ARG 437 Ca 0.30 0.26 -0.11 0.00 -1.72 0.00 0.00 55.73 54.45 3ihg s ARG 437 Cb -0.15 -3.48 0.01 0.00 -0.45 0.00 0.00 34.95 30.88 3ihg s ARG 437 CO 0.09 0.09 0.29 -0.51 -0.68 0.00 0.00 175.30 174.57 3ihg s LEU 438 N 0.90 0.97 0.13 2.53 1.43 -0.26 -4.97 118.68 119.41 3ihg s LEU 438 Ca 0.21 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 3ihg s LEU 438 Cb -0.14 1.37 -0.07 0.00 0.03 0.00 0.00 46.19 47.38 3ihg s LEU 438 CO 0.08 -0.81 0.92 -0.55 0.23 0.00 0.00 176.35 176.22 3ihg s SER 439 N -2.86 7.49 0.56 2.29 0.15 -1.26 -1.70 113.70 118.37 3ihg s SER 439 Ca 0.06 1.78 0.41 0.00 0.70 0.00 0.00 55.95 58.90 3ihg s SER 439 Cb 0.03 -2.57 1.41 0.00 -1.71 0.00 0.00 66.02 63.18 3ihg s SER 439 CO -0.09 0.01 1.43 0.35 1.20 0.00 0.00 173.24 176.14 3ihg n THR 440 N 2.44 0.00 0.04 6.45 -2.24 0.03 0.32 114.28 121.32 3ihg n THR 440 Ca 0.00 1.38 -0.10 0.00 -2.27 0.00 0.00 64.05 63.05 3ihg n THR 440 Cb 0.49 -2.35 0.02 0.00 -2.10 0.00 0.00 70.33 66.39 3ihg n THR 440 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ihg h VAL 441 N 0.00 1.37 0.00 2.28 2.07 -1.84 -2.60 116.25 117.53 3ihg h VAL 441 Ca 0.76 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3ihg h VAL 441 Cb 3.41 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 35.27 3ihg h VAL 441 CO -0.01 0.64 0.00 0.47 0.02 0.00 0.00 177.57 178.69 3ihg n ASP 442 N -3.85 0.52 0.09 0.57 8.00 0.15 -2.50 116.55 119.53 3ihg n ASP 442 Ca -0.05 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.23 3ihg n ASP 442 Cb 0.71 -0.75 0.45 0.00 -0.02 0.00 0.00 41.12 41.51 3ihg n ASP 442 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ihg n LEU 443 N -2.10 0.59 -4.95 0.64 4.77 -0.98 -4.93 117.00 110.05 3ihg n LEU 443 Ca 0.01 0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 56.36 3ihg n LEU 443 Cb 0.17 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3ihg n LEU 443 CO 0.16 -0.31 0.12 -0.36 -1.33 0.00 0.00 177.39 175.66 3ihg s PHE 444 N -3.16 3.47 0.00 -1.77 2.99 -1.04 -4.73 117.98 113.74 3ihg s PHE 444 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 56.93 57.25 3ihg s PHE 444 Cb 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 43.02 41.32 3ihg s PHE 444 CO 0.48 0.19 0.00 0.41 -0.00 0.00 0.00 175.22 176.31 3ihg n GLY 445 N -1.69 2.94 0.00 4.36 0.00 -1.26 -4.90 105.19 104.65 3ihg n GLY 445 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ihg n GLY 445 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihg n ASP 446 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.93 116.55 111.89 3ihg n ASP 446 Ca 0.00 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 3ihg n ASP 446 Cb 0.00 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.23 3ihg n ASP 446 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ihg n GLY 447 N 0.12 1.93 3.81 0.27 0.00 -1.26 -4.99 105.19 105.07 3ihg n GLY 447 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3ihg n GLY 447 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ihg s TRP 448 N 2.38 3.43 -0.07 1.61 0.52 0.13 -3.54 118.94 123.40 3ihg s TRP 448 Ca 0.00 0.39 0.05 0.00 0.02 0.00 0.00 56.10 56.56 3ihg s TRP 448 Cb 0.00 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 3ihg s TRP 448 CO 0.00 0.64 -0.21 0.99 0.02 0.00 0.00 176.95 178.38 3ihg s THR 449 N -1.01 2.37 -0.12 2.01 2.01 -0.64 -0.82 115.64 119.44 3ihg s THR 449 Ca 0.15 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3ihg s THR 449 Cb -0.12 -1.89 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 3ihg s THR 449 CO 0.05 0.57 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.13 3ihg s LEU 450 N -0.20 2.32 -0.21 4.42 0.20 0.14 0.16 118.68 125.50 3ihg s LEU 450 Ca -0.02 -0.49 -0.06 0.00 0.69 0.00 0.00 54.13 54.25 3ihg s LEU 450 Cb -0.13 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.10 3ihg s LEU 450 CO 0.03 0.13 0.03 -0.76 -0.29 0.00 0.00 176.35 175.50 3ihg s LEU 451 N 0.52 3.41 0.09 -0.68 1.43 -0.17 -1.05 118.68 122.22 3ihg s LEU 451 Ca -0.12 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3ihg s LEU 451 Cb -0.17 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3ihg s LEU 451 CO 0.05 0.06 -0.06 0.00 0.23 0.00 0.00 176.35 176.63 3ihg s ALA 452 N 1.06 3.10 0.76 4.21 0.00 0.12 -1.09 121.76 129.91 3ihg s ALA 452 Ca 0.03 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 3ihg s ALA 452 Cb -0.14 -1.05 0.05 0.00 0.00 0.00 0.00 23.12 21.98 3ihg s ALA 452 CO 0.02 0.66 1.10 0.20 0.00 0.00 0.00 175.76 177.74 3ihg s GLY 453 N -2.16 1.76 0.12 0.00 0.00 0.33 -2.33 107.32 105.05 3ihg s GLY 453 Ca 0.23 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.27 3ihg s GLY 453 CO 0.15 0.68 0.64 -2.21 0.00 0.00 0.00 173.10 172.36 3ihg n GLU 454 N -3.37 -0.03 0.00 2.90 2.13 -0.98 0.24 120.64 121.53 3ihg n GLU 454 Ca 0.09 0.62 0.12 0.00 0.66 0.00 0.00 57.16 58.66 3ihg n GLU 454 Cb 0.53 -0.97 0.24 0.00 0.27 0.00 0.00 31.44 31.51 3ihg n GLU 454 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ihg n LEU 455 N -4.47 1.84 -2.41 4.31 4.77 -0.47 -4.65 117.00 115.91 3ihg n LEU 455 Ca 0.09 -0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 55.22 3ihg n LEU 455 Cb 0.29 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 3ihg n LEU 455 CO -0.04 0.32 1.65 0.61 -1.33 0.00 0.00 177.39 178.61 3ihg n GLY 456 N 1.33 4.02 0.22 -0.72 0.00 0.14 -4.47 105.19 105.70 3ihg n GLY 456 Ca 0.13 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.53 3ihg n GLY 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg h ALA 457 N 3.10 1.19 -0.60 4.61 0.00 -1.83 -2.47 119.26 123.25 3ihg h ALA 457 Ca 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ihg h ALA 457 Cb 0.91 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3ihg h ALA 457 CO 0.74 0.33 0.25 0.38 0.00 0.00 0.00 179.25 180.95 3ihg h ASP 458 N 0.00 0.80 0.00 0.00 2.03 -1.98 -1.80 116.42 115.48 3ihg h ASP 458 Ca -0.00 -0.10 -0.05 0.00 -0.73 0.00 0.00 57.03 56.14 3ihg h ASP 458 Cb 0.63 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.92 3ihg h ASP 458 CO 0.03 0.71 -0.13 -0.50 -1.03 0.00 0.00 179.24 178.32 3ihg h TRP 459 N 0.87 0.29 -0.03 4.15 4.06 -1.81 -1.35 115.95 122.13 3ihg h TRP 459 Ca 0.21 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.10 3ihg h TRP 459 Cb 0.16 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3ihg h TRP 459 CO 0.01 0.41 -0.05 0.28 -3.56 0.00 0.00 178.44 175.53 3ihg h VAL 460 N 0.26 1.42 -0.97 1.49 2.07 -1.33 -1.84 116.25 117.35 3ihg h VAL 460 Ca 0.05 -1.33 0.11 0.00 0.82 0.00 0.00 66.70 66.35 3ihg h VAL 460 Cb 0.40 2.25 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 3ihg h VAL 460 CO 0.02 0.36 0.60 0.00 0.02 0.00 0.00 177.57 178.57 3ihg h ALA 461 N 0.47 1.44 -0.43 1.67 0.00 -1.18 -2.05 119.26 119.18 3ihg h ALA 461 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ihg h ALA 461 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ihg h ALA 461 CO 0.01 0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.71 3ihg h ALA 462 N 1.52 1.59 -0.66 0.00 0.00 -1.03 -2.38 119.26 118.29 3ihg h ALA 462 Ca 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3ihg h ALA 462 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ihg h ALA 462 CO -0.25 0.34 0.33 0.00 0.00 0.00 0.00 179.25 179.67 3ihg h ALA 463 N 1.65 1.34 0.04 0.00 0.00 -0.58 0.57 119.26 122.29 3ihg h ALA 463 Ca 0.15 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 3ihg h ALA 463 Cb 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ihg h ALA 463 CO -0.02 0.52 -1.06 0.93 0.00 0.00 0.00 179.25 179.62 3ihg h GLU 464 N 0.93 0.48 -0.51 0.00 4.39 -1.48 -2.40 114.58 115.97 3ihg h GLU 464 Ca 0.23 -0.57 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 3ihg h GLU 464 Cb 0.07 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3ihg h GLU 464 CO -0.03 1.21 0.07 0.00 -1.16 0.00 0.00 179.01 179.09 3ihg h ALA 465 N 0.58 0.68 -0.17 3.43 0.00 -0.84 -2.37 119.26 120.58 3ihg h ALA 465 Ca -0.12 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3ihg h ALA 465 Cb 1.71 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.31 3ihg h ALA 465 CO 0.19 0.44 -0.56 0.28 0.00 0.00 0.00 179.25 179.60 3ihg h VAL 466 N 0.74 1.31 -0.00 0.00 2.07 -1.02 -1.01 116.25 118.34 3ihg h VAL 466 Ca 0.15 -1.80 0.03 0.00 0.82 0.00 0.00 66.70 65.91 3ihg h VAL 466 Cb 0.42 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 3ihg h VAL 466 CO 0.01 0.56 -0.28 0.28 0.02 0.00 0.00 177.57 178.16 3ihg h SER 467 N 0.38 -0.83 -0.74 0.57 0.02 -1.38 0.35 113.55 111.91 3ihg h SER 467 Ca -0.02 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.13 3ihg h SER 467 Cb 1.18 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 63.99 3ihg h SER 467 CO 0.12 -0.35 0.39 0.00 -1.14 0.00 0.00 176.83 175.86 3ihg h ALA 468 N 0.37 1.03 0.46 3.77 0.00 -1.44 0.40 119.26 123.85 3ihg h ALA 468 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ihg h ALA 468 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ihg h ALA 468 CO -0.24 0.01 -0.22 0.93 0.00 0.00 0.00 179.25 179.73 3ihg h GLU 469 N 0.67 -0.59 0.00 0.00 4.39 -0.26 -3.29 114.58 115.49 3ihg h GLU 469 Ca 0.36 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3ihg h GLU 469 Cb 0.35 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3ihg h GLU 469 CO -0.25 -0.36 -0.60 1.28 -1.16 0.00 0.00 179.01 177.92 3ihg n LEU 470 N -5.33 0.58 -1.55 1.33 4.77 0.02 -4.97 117.00 111.85 3ihg n LEU 470 Ca -0.11 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 3ihg n LEU 470 Cb 0.27 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3ihg n LEU 470 CO 0.36 0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 3ihg n GLY 471 N 1.42 0.06 3.27 -0.72 0.00 0.14 -4.87 105.19 104.49 3ihg n GLY 471 Ca 0.04 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3ihg n GLY 471 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihg s VAL 472 N -2.80 2.03 -0.04 1.61 1.01 -1.05 -4.94 120.40 116.23 3ihg s VAL 472 Ca 0.13 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3ihg s VAL 472 Cb -0.06 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3ihg s VAL 472 CO 0.16 0.57 1.51 -2.16 0.00 0.00 0.00 175.10 175.17 3ihg s PRO 473 N -0.21 4.23 -0.30 2.72 0.05 -1.26 -4.28 135.00 135.94 3ihg s PRO 473 Ca -0.02 2.05 0.03 0.00 0.05 0.00 0.00 61.00 63.10 3ihg s PRO 473 Cb -0.13 -3.77 0.08 0.00 0.05 0.00 0.00 34.50 30.73 3ihg s PRO 473 CO 0.03 -0.72 -0.02 0.08 0.05 0.00 0.00 177.00 176.42 3ihg s VAL 474 N 3.24 2.34 -0.20 -0.36 1.01 -1.25 0.21 120.40 125.39 3ihg s VAL 474 Ca 0.67 -1.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.50 3ihg s VAL 474 Cb -0.32 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3ihg s VAL 474 CO 0.26 -0.31 0.65 -0.60 0.00 0.00 0.00 175.10 175.10 3ihg s ARG 475 N 1.03 4.22 -0.08 2.72 6.06 -0.00 -4.61 118.95 128.27 3ihg s ARG 475 Ca 0.01 0.65 0.02 0.00 -2.50 0.00 0.00 55.73 53.91 3ihg s ARG 475 Cb -0.20 -3.58 -0.02 0.00 0.06 0.00 0.00 34.95 31.21 3ihg s ARG 475 CO -0.06 -0.26 -0.12 0.00 -2.50 0.00 0.00 175.30 172.36 3ihg s ALA 476 N 1.96 2.72 -0.04 6.12 0.00 -1.26 -0.69 121.76 130.57 3ihg s ALA 476 Ca 0.30 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3ihg s ALA 476 Cb -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3ihg s ALA 476 CO 0.10 0.45 -0.14 0.71 0.00 0.00 0.00 175.76 176.88 3ihg s TYR 477 N -0.35 1.48 -0.08 0.00 2.02 -0.22 -4.97 117.35 115.23 3ihg s TYR 477 Ca 0.04 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3ihg s TYR 477 Cb -0.12 -1.02 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3ihg s TYR 477 CO 0.02 -0.17 -0.18 0.50 -1.57 0.00 0.00 175.55 174.16 3ihg s ARG 478 N 0.20 2.84 0.40 -0.62 3.52 -1.26 -0.70 118.95 123.32 3ihg s ARG 478 Ca -0.06 -0.76 -0.26 0.00 -0.13 0.00 0.00 55.73 54.51 3ihg s ARG 478 Cb -0.12 -2.39 -0.09 0.00 -1.56 0.00 0.00 34.95 30.79 3ihg s ARG 478 CO 0.02 0.39 1.35 0.08 -0.81 0.00 0.00 175.30 176.33 3ihg s VAL 479 N -0.15 2.47 0.00 7.11 1.01 -0.98 -2.08 120.40 127.78 3ihg s VAL 479 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3ihg s VAL 479 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3ihg s VAL 479 CO 0.04 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3ihg n GLY 480 N 0.65 0.89 0.00 4.51 0.00 -0.58 -3.95 105.19 106.71 3ihg n GLY 480 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3ihg n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg n ALA 481 N 0.81 0.00 1.87 4.61 0.00 -1.02 -4.89 120.51 121.89 3ihg n ALA 481 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3ihg n ALA 481 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 3ihg n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 482 N 4.86 -0.76 2.82 0.00 0.00 -1.08 -4.52 105.19 106.51 3ihg n GLY 482 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3ihg n GLY 482 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ihg s LEU 483 N -1.89 1.56 -0.11 0.99 2.96 -0.88 -4.50 118.68 116.81 3ihg s LEU 483 Ca 0.41 -0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 53.22 3ihg s LEU 483 Cb 0.20 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 3ihg s LEU 483 CO 0.33 -0.25 1.02 -0.89 -1.32 0.00 0.00 176.35 175.24 3ihg s THR 484 N 1.70 4.74 -0.38 3.68 2.01 -0.07 -1.52 115.64 125.80 3ihg s THR 484 Ca -0.01 2.01 -0.03 0.00 0.31 0.00 0.00 61.69 63.97 3ihg s THR 484 Cb -0.17 -4.29 0.09 0.00 0.01 0.00 0.00 72.50 68.14 3ihg s THR 484 CO -0.07 -0.01 0.16 -0.62 -0.69 0.00 0.00 174.62 173.39 3ihg s ASP 485 N 1.13 5.21 0.03 3.53 -1.08 -1.26 -2.58 116.67 121.64 3ihg s ASP 485 Ca 0.49 -1.77 -0.21 0.00 -0.52 0.00 0.00 52.55 50.54 3ihg s ASP 485 Cb -0.19 -1.82 -0.16 0.00 -1.46 0.00 0.00 42.92 39.30 3ihg s ASP 485 CO 0.18 -0.47 1.29 -0.65 0.52 0.00 0.00 175.17 176.04 3ihg h PRO 486 N 8.07 0.33 -0.00 4.34 0.11 -1.96 -3.17 132.00 139.73 3ihg h PRO 486 Ca -0.16 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3ihg h PRO 486 Cb 1.06 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ihg h PRO 486 CO 0.66 0.78 -0.06 -0.85 -0.21 0.00 0.00 178.00 178.32 3ihg n GLU 487 N -4.53 0.39 -3.53 1.05 0.28 -1.26 -4.98 120.64 108.05 3ihg n GLU 487 Ca -0.07 -0.06 -0.26 0.00 -0.16 0.00 0.00 57.16 56.61 3ihg n GLU 487 Cb 0.40 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.82 3ihg n GLU 487 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3ihg n SER 488 N -1.25 -5.81 0.00 -1.84 7.64 -1.20 -4.98 113.62 106.18 3ihg n SER 488 Ca 0.12 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.09 3ihg n SER 488 Cb 0.28 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 3ihg n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ihg n ALA 489 N -3.84 2.24 -0.02 -0.43 0.00 -1.26 -4.73 120.51 112.48 3ihg n ALA 489 Ca -0.08 -0.40 -0.16 0.00 0.00 0.00 0.00 53.44 52.80 3ihg n ALA 489 Cb 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 3ihg n ALA 489 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ihg h VAL 490 N 0.07 1.53 -0.45 0.00 2.07 -1.96 -1.09 116.25 116.42 3ihg h VAL 490 Ca 0.00 -2.05 0.08 0.00 0.82 0.00 0.00 66.70 65.54 3ihg h VAL 490 Cb 0.03 2.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 3ihg h VAL 490 CO 0.00 0.57 0.06 0.28 0.02 0.00 0.00 177.57 178.50 3ihg h SER 491 N -0.43 -0.05 -0.29 0.57 0.02 -1.87 -0.56 113.55 110.94 3ihg h SER 491 Ca -0.05 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 3ihg h SER 491 Cb 1.13 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3ihg h SER 491 CO 0.07 0.01 -0.23 -0.08 -1.14 0.00 0.00 176.83 175.45 3ihg h GLU 492 N 0.19 0.67 -0.12 3.45 4.81 -1.84 0.25 114.58 121.99 3ihg h GLU 492 Ca 0.22 -0.33 -0.22 0.00 -0.13 0.00 0.00 59.36 58.90 3ihg h GLU 492 Cb 0.30 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.69 3ihg h GLU 492 CO -0.31 0.94 -0.81 0.00 -0.73 0.00 0.00 179.01 178.10 3ihg h ARG 493 N 0.42 0.71 -0.00 1.92 2.47 -0.92 -3.17 114.38 115.80 3ihg h ARG 493 Ca 0.05 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 3ihg h ARG 493 Cb 0.79 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 3ihg h ARG 493 CO 0.06 1.21 -0.16 0.66 0.56 0.00 0.00 179.97 182.30 3ihg n TYR 494 N -3.90 0.00 -3.08 3.04 4.02 -0.24 -2.82 117.16 114.17 3ihg n TYR 494 Ca -0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.64 3ihg n TYR 494 Cb 0.76 -0.41 0.04 0.00 -0.02 0.00 0.00 39.34 39.72 3ihg n TYR 494 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ihg n GLY 495 N 1.49 -0.23 0.82 2.72 0.00 -0.10 -4.72 105.19 105.16 3ihg n GLY 495 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3ihg n GLY 495 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ihg n ILE 496 N -4.33 0.00 -3.06 -0.61 -5.35 -0.17 -4.12 119.36 101.72 3ihg n ILE 496 Ca -0.04 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 3ihg n ILE 496 Cb 0.57 1.43 0.00 0.00 -1.74 0.00 0.00 39.64 39.90 3ihg n ILE 496 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ihg n GLY 497 N 1.21 1.43 0.11 3.28 0.00 -1.23 -0.69 105.19 109.31 3ihg n GLY 497 Ca 0.12 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 3ihg n GLY 497 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihg h LYS 498 N 0.00 0.18 0.00 1.61 1.57 -1.94 -3.42 116.57 114.57 3ihg h LYS 498 Ca 0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3ihg h LYS 498 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3ihg h LYS 498 CO 0.00 0.97 -1.30 0.00 -0.57 0.00 0.00 179.45 178.55 3ihg n ALA 499 N -2.77 3.07 -1.00 3.86 0.00 -1.24 -1.37 120.51 121.05 3ihg n ALA 499 Ca -0.23 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3ihg n ALA 499 Cb 1.05 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3ihg n ALA 499 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 500 N 1.53 -1.85 3.46 0.00 0.00 0.14 -4.18 105.19 104.29 3ihg n GLY 500 Ca -0.01 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 3ihg n GLY 500 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg s ALA 501 N -3.37 -1.70 -0.04 4.61 0.00 -0.81 -0.51 121.76 119.94 3ihg s ALA 501 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3ihg s ALA 501 Cb 0.00 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.72 3ihg s ALA 501 CO 0.00 -0.67 0.03 0.45 0.00 0.00 0.00 175.76 175.57 3ihg s SER 502 N -2.40 0.95 -0.22 0.00 0.15 -0.25 -1.44 113.70 110.50 3ihg s SER 502 Ca 0.00 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 3ihg s SER 502 Cb -0.01 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 3ihg s SER 502 CO -0.08 -0.19 0.09 -0.22 1.20 0.00 0.00 173.24 174.04 3ihg s LEU 503 N 1.72 3.75 -0.06 3.45 2.96 -0.46 -1.00 118.68 129.05 3ihg s LEU 503 Ca -0.00 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3ihg s LEU 503 Cb -0.13 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 3ihg s LEU 503 CO -0.03 0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.17 3ihg s VAL 504 N 0.98 2.39 1.02 1.68 1.01 0.12 0.01 120.40 127.62 3ihg s VAL 504 Ca 0.05 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 3ihg s VAL 504 Cb -0.14 -1.90 0.22 0.00 0.00 0.00 0.00 36.38 34.56 3ihg s VAL 504 CO 0.03 0.57 1.29 -0.13 0.00 0.00 0.00 175.10 176.86 3ihg s ARG 505 N -0.23 0.19 0.19 2.72 0.52 0.57 -1.61 118.95 121.31 3ihg s ARG 505 Ca -0.01 -0.38 0.19 0.00 -0.52 0.00 0.00 55.73 55.00 3ihg s ARG 505 Cb -0.13 -1.79 0.84 0.00 0.52 0.00 0.00 34.95 34.39 3ihg s ARG 505 CO 0.03 -2.72 1.57 -2.30 0.02 0.00 0.00 175.30 171.90 3ihg n PRO 506 N -3.99 0.12 -0.01 3.54 -0.02 -1.23 -2.43 135.00 130.98 3ihg n PRO 506 Ca 0.15 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 3ihg n PRO 506 Cb 0.59 -1.77 0.07 0.00 -0.02 0.00 0.00 33.50 32.37 3ihg n PRO 506 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ihg n ASP 507 N -2.01 2.27 0.00 2.55 5.75 -1.26 -4.04 116.55 119.80 3ihg n ASP 507 Ca 0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3ihg n ASP 507 Cb 0.15 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3ihg n ASP 507 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ihg n GLY 508 N 0.81 0.83 3.86 6.12 0.00 -1.02 -5.01 105.19 110.78 3ihg n GLY 508 Ca 0.09 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3ihg n GLY 508 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihg s ILE 509 N -2.00 5.30 -0.15 -0.61 -1.09 -1.26 -1.44 121.20 119.95 3ihg s ILE 509 Ca 0.00 0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 58.61 3ihg s ILE 509 Cb 0.00 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 3ihg s ILE 509 CO 0.00 0.59 1.19 -0.69 -1.23 0.00 0.00 174.94 174.80 3ihg s VAL 510 N -0.99 4.38 -0.11 2.92 1.01 -0.45 -0.31 120.40 126.84 3ihg s VAL 510 Ca 0.19 1.68 0.16 0.00 0.00 0.00 0.00 61.98 64.00 3ihg s VAL 510 Cb -0.14 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 3ihg s VAL 510 CO 0.08 -0.10 1.00 0.00 0.00 0.00 0.00 175.10 176.07 3ihg h ALA 511 N 7.81 0.65 -1.58 5.51 0.00 -0.70 0.25 119.26 131.21 3ihg h ALA 511 Ca -0.27 -0.79 0.17 0.00 0.00 0.00 0.00 54.91 54.02 3ihg h ALA 511 Cb 1.11 0.18 -0.21 0.00 0.00 0.00 0.00 17.79 18.87 3ihg h ALA 511 CO 0.94 0.90 0.69 -0.46 0.00 0.00 0.00 179.25 181.32 3ihg s TRP 512 N -2.90 -0.23 0.16 0.00 -0.00 -1.21 -0.52 118.94 114.23 3ihg s TRP 512 Ca -0.01 0.28 -0.24 0.00 -0.00 0.00 0.00 56.10 56.14 3ihg s TRP 512 Cb 0.08 0.49 0.06 0.00 -0.00 0.00 0.00 33.47 34.11 3ihg s TRP 512 CO 0.80 -0.28 0.69 -0.98 -0.00 0.00 0.00 176.95 177.18 3ihg s ARG 513 N -1.87 1.32 0.05 5.86 1.70 -1.26 -1.35 118.95 123.40 3ihg s ARG 513 Ca 0.05 -0.57 -0.04 0.00 -0.47 0.00 0.00 55.73 54.70 3ihg s ARG 513 Cb -0.01 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 3ihg s ARG 513 CO -0.04 -0.59 0.05 0.99 -1.08 0.00 0.00 175.30 174.63 3ihg s THR 514 N -3.66 0.16 -0.55 4.99 2.01 -0.52 -4.98 115.64 113.09 3ihg s THR 514 Ca 0.05 -1.35 0.14 0.00 0.31 0.00 0.00 61.69 60.83 3ihg s THR 514 Cb -0.02 -1.12 0.43 0.00 0.01 0.00 0.00 72.50 71.80 3ihg s THR 514 CO -0.07 -0.74 1.35 -0.90 -0.69 0.00 0.00 174.62 173.57 3ihg n ASP 515 N 0.50 3.47 -2.11 3.53 5.68 -1.26 -1.92 116.55 124.45 3ihg n ASP 515 Ca -0.17 -2.53 -0.09 0.00 -0.50 0.00 0.00 54.79 51.51 3ihg n ASP 515 Cb 0.60 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.15 3ihg n ASP 515 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ihg n GLU 516 N 0.02 0.33 -3.59 0.11 0.28 -1.26 -4.15 120.64 112.38 3ihg n GLU 516 Ca 0.17 -1.59 -0.36 0.00 -0.16 0.00 0.00 57.16 55.22 3ihg n GLU 516 Cb 0.68 1.45 -0.06 0.00 1.43 0.00 0.00 31.44 34.94 3ihg n GLU 516 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ihg s ALA 517 N -2.38 3.74 0.54 -1.84 0.00 -1.26 -3.23 121.76 117.34 3ihg s ALA 517 Ca 0.17 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 3ihg s ALA 517 Cb -0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3ihg s ALA 517 CO 0.12 0.55 0.91 0.00 0.00 0.00 0.00 175.76 177.34 3ihg s ALA 518 N -1.29 3.25 0.27 0.00 0.00 -1.26 -4.98 121.76 117.75 3ihg s ALA 518 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 3ihg s ALA 518 Cb -0.14 -2.84 0.36 0.00 0.00 0.00 0.00 23.12 20.50 3ihg s ALA 518 CO 0.16 -0.49 1.76 0.00 0.00 0.00 0.00 175.76 177.19 3ihg h ALA 519 N 0.03 1.12 -2.52 0.00 0.00 -2.04 -3.40 119.26 112.44 3ihg h ALA 519 Ca -0.46 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 53.86 3ihg h ALA 519 Cb 1.20 -0.18 -0.36 0.00 0.00 0.00 0.00 17.79 18.45 3ihg h ALA 519 CO 0.62 0.56 -0.63 0.34 0.00 0.00 0.00 179.25 180.14 3ihg s ASP 520 N -6.68 1.42 0.11 0.00 -1.08 -1.26 -5.03 116.67 104.15 3ihg s ASP 520 Ca -0.09 -0.26 -0.11 0.00 -0.52 0.00 0.00 52.55 51.57 3ihg s ASP 520 Cb 0.14 0.37 -0.13 0.00 -1.46 0.00 0.00 42.92 41.85 3ihg s ASP 520 CO 0.80 -0.33 1.33 0.00 0.52 0.00 0.00 175.17 177.49 3ihg h ALA 521 N 8.31 0.35 -0.45 3.66 0.00 -1.90 -2.53 119.26 126.70 3ihg h ALA 521 Ca -0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3ihg h ALA 521 Cb 1.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3ihg h ALA 521 CO 0.29 0.69 0.21 0.00 0.00 0.00 0.00 179.25 180.44 3ihg h ALA 522 N 0.60 0.59 -0.23 0.00 0.00 -1.91 -1.00 119.26 117.31 3ihg h ALA 522 Ca -0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ihg h ALA 522 Cb 1.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3ihg h ALA 522 CO 0.16 0.16 0.04 0.37 0.00 0.00 0.00 179.25 179.97 3ihg h GLN 523 N 0.59 0.12 -0.73 0.00 -0.00 -1.98 -0.50 115.11 112.62 3ihg h GLN 523 Ca 0.15 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.73 3ihg h GLN 523 Cb 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.55 3ihg h GLN 523 CO -0.02 0.08 0.21 1.15 0.00 0.00 0.00 178.83 180.25 3ihg h THR 524 N 0.12 1.26 -0.06 2.39 2.02 -1.38 -1.75 112.91 115.51 3ihg h THR 524 Ca 0.10 -0.94 -0.22 0.00 0.77 0.00 0.00 66.41 66.12 3ihg h THR 524 Cb 0.11 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3ihg h THR 524 CO -0.14 0.37 -0.87 0.25 0.37 0.00 0.00 175.52 175.49 3ihg h LEU 525 N 1.09 0.69 -1.01 2.58 5.85 -1.07 -1.44 115.31 122.00 3ihg h LEU 525 Ca 0.23 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 3ihg h LEU 525 Cb 0.34 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3ihg h LEU 525 CO -0.00 1.28 0.19 -0.08 -0.34 0.00 0.00 178.44 179.49 3ihg h GLU 526 N 0.35 0.90 -0.11 1.25 4.81 -1.02 -1.35 114.58 119.41 3ihg h GLU 526 Ca -0.07 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 3ihg h GLU 526 Cb 1.49 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 3ihg h GLU 526 CO 0.16 0.78 -0.61 0.78 -0.73 0.00 0.00 179.01 179.39 3ihg h GLY 527 N 1.00 0.41 0.63 1.92 0.00 -0.91 0.13 103.07 106.24 3ihg h GLY 527 Ca 0.20 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3ihg h GLY 527 CO -0.01 0.45 -0.11 -2.08 0.00 0.00 0.00 176.54 174.80 3ihg h VAL 528 N 0.28 1.39 -0.47 4.60 2.07 -1.16 -2.66 116.25 120.28 3ihg h VAL 528 Ca -0.01 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 3ihg h VAL 528 Cb 1.14 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3ihg h VAL 528 CO 0.10 0.37 -0.09 -0.07 0.02 0.00 0.00 177.57 177.90 3ihg h LEU 529 N -0.24 0.90 -1.33 2.57 3.38 -1.05 -2.49 115.31 117.05 3ihg h LEU 529 Ca 0.01 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.71 3ihg h LEU 529 Cb 0.65 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3ihg h LEU 529 CO 0.02 1.04 0.51 0.03 0.09 0.00 0.00 178.44 180.14 3ihg h ARG 530 N 0.75 0.75 -0.04 1.13 3.08 -0.75 -2.10 114.38 117.20 3ihg h ARG 530 Ca 0.12 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3ihg h ARG 530 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3ihg h ARG 530 CO 0.04 0.50 -0.27 -0.09 -1.07 0.00 0.00 179.97 179.08 3ihg h ARG 531 N 0.78 0.26 0.00 0.04 2.43 -1.30 0.27 114.38 116.85 3ihg h ARG 531 Ca 0.35 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3ihg h ARG 531 Cb 0.35 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3ihg h ARG 531 CO -0.13 0.89 -0.27 -0.39 -1.51 0.00 0.00 179.97 178.56 3ihg h VAL 532 N -0.30 0.53 -0.21 0.20 -1.51 -1.25 -2.92 116.25 110.79 3ihg h VAL 532 Ca -0.02 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 3ihg h VAL 532 Cb 0.95 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 3ihg h VAL 532 CO 0.06 0.26 0.00 0.18 -1.23 0.00 0.00 177.57 176.84 3ihg n LEU 533 N -3.27 2.43 -3.70 4.19 4.77 -0.81 -4.59 117.00 116.04 3ihg n LEU 533 Ca 0.01 -0.99 -0.22 0.00 -0.03 0.00 0.00 56.01 54.79 3ihg n LEU 533 Cb 0.54 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3ihg n LEU 533 CO 0.36 0.49 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.17 3ihg n ASP 534 N 0.84 -1.48 0.00 -1.43 4.64 -0.94 -0.94 116.55 117.24 3ihg n ASP 534 Ca 0.17 -0.83 0.00 0.00 -1.38 0.00 0.00 54.79 52.75 3ihg n ASP 534 Cb 0.46 -4.02 0.00 0.00 -1.04 0.00 0.00 41.12 36.52 3ihg n ASP 534 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92