#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j h TYR 4 N 0.00 -1.27 -0.73 4.78 3.20 -2.06 -0.33 116.97 120.57 3h1j h TYR 4 Ca 0.00 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.99 3h1j h TYR 4 Cb 0.00 0.53 -0.12 0.00 1.54 0.00 0.00 36.73 38.69 3h1j h TYR 4 CO 0.00 -0.55 -0.48 0.00 -1.64 0.00 0.00 178.16 175.49 3h1j h ALA 5 N -0.31 -0.36 -0.07 1.82 0.00 -2.05 -1.86 119.26 116.43 3h1j h ALA 5 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h1j h ALA 5 Cb 0.72 1.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 3h1j h ALA 5 CO -0.23 -0.86 0.04 1.96 0.00 0.00 0.00 179.25 180.16 3h1j h GLN 6 N -0.16 0.08 -0.57 0.00 4.20 -1.93 -1.90 115.11 114.83 3h1j h GLN 6 Ca 0.19 -0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.06 3h1j h GLN 6 Cb 0.54 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3h1j h GLN 6 CO -0.79 0.05 0.52 1.79 -0.67 0.00 0.00 178.83 179.74 3h1j h THR 7 N 0.08 0.43 -0.01 -0.54 1.35 -0.29 -0.91 112.91 113.03 3h1j h THR 7 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3h1j h THR 7 Cb -0.00 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 3h1j h THR 7 CO -0.01 0.00 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.17 3h1j h LEU 8 N 0.00 0.02 0.00 3.87 3.38 -0.63 -3.11 115.31 118.85 3h1j h LEU 8 Ca 0.27 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3h1j h LEU 8 Cb 1.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3h1j h LEU 8 CO -0.00 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.14 3h1j n GLN 9 N -4.79 0.76 -0.09 1.13 10.64 -0.40 -3.00 117.38 121.63 3h1j n GLN 9 Ca -0.09 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 54.98 3h1j n GLN 9 Cb 0.31 -1.17 -0.12 0.00 -0.86 0.00 0.00 30.24 28.39 3h1j n GLN 9 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3h1j n ASN 10 N -0.67 1.23 -4.64 2.61 4.13 -0.89 -4.95 115.26 112.08 3h1j n ASN 10 Ca 0.06 -0.03 -0.53 0.00 1.68 0.00 0.00 54.58 55.76 3h1j n ASN 10 Cb 0.03 0.61 -0.06 0.00 -1.54 0.00 0.00 39.78 38.82 3h1j n ASN 10 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3h1j n ILE 11 N -2.74 0.13 -1.58 2.41 5.41 -1.16 -4.81 119.36 117.01 3h1j n ILE 11 Ca -0.30 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.02 3h1j n ILE 11 Cb 1.01 -1.07 0.01 0.00 -0.71 0.00 0.00 39.64 38.89 3h1j n ILE 11 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3h1j n PRO 12 N 3.73 1.18 -2.20 0.38 -0.04 -1.26 -4.93 135.00 131.86 3h1j n PRO 12 Ca 0.21 0.43 -0.36 0.00 -0.04 0.00 0.00 63.50 63.74 3h1j n PRO 12 Cb 0.19 -1.96 0.01 0.00 -0.04 0.00 0.00 33.50 31.69 3h1j n PRO 12 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3h1j s GLU 13 N -2.01 3.35 -0.21 0.54 2.12 -1.26 -4.88 118.70 116.34 3h1j s GLU 13 Ca 0.64 1.71 -0.22 0.00 0.36 0.00 0.00 54.97 57.46 3h1j s GLU 13 Cb -0.55 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 3h1j s GLU 13 CO 0.56 -0.87 0.70 0.99 -0.54 0.00 0.00 175.26 176.09 3h1j s THR 14 N -1.67 4.96 0.07 -1.70 2.01 -1.26 -4.64 115.64 113.40 3h1j s THR 14 Ca 0.72 1.31 -0.16 0.00 0.31 0.00 0.00 61.69 63.87 3h1j s THR 14 Cb -0.27 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 3h1j s THR 14 CO 0.30 0.05 0.50 0.20 -0.69 0.00 0.00 174.62 174.98 3h1j s ASN 15 N 1.28 6.90 -0.03 3.53 0.01 0.07 -4.87 114.94 121.84 3h1j s ASN 15 Ca 0.31 1.10 0.01 0.00 -0.71 0.00 0.00 52.86 53.56 3h1j s ASN 15 Cb -0.16 -2.30 0.02 0.00 0.41 0.00 0.00 41.25 39.22 3h1j s ASN 15 CO 0.10 0.24 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.21 3h1j s VAL 16 N -1.20 0.36 0.02 1.60 1.01 -1.26 -0.42 120.40 120.51 3h1j s VAL 16 Ca 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3h1j s VAL 16 Cb -0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3h1j s VAL 16 CO 0.17 0.16 -0.04 0.42 0.00 0.00 0.00 175.10 175.81 3h1j s THR 17 N 0.61 0.26 -0.10 3.92 -4.23 0.86 -4.99 115.64 111.97 3h1j s THR 17 Ca -0.07 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 3h1j s THR 17 Cb -0.10 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 3h1j s THR 17 CO -0.01 -0.32 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.75 3h1j s THR 18 N -1.07 3.27 -0.08 3.99 2.01 -1.26 0.12 115.64 122.63 3h1j s THR 18 Ca -0.10 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 3h1j s THR 18 Cb -0.08 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3h1j s THR 18 CO -0.00 0.55 0.53 -0.76 -0.69 0.00 0.00 174.62 174.25 3h1j s LEU 19 N -0.10 4.33 0.59 4.42 1.43 0.64 -4.94 118.68 125.05 3h1j s LEU 19 Ca -0.01 0.96 0.09 0.00 -1.03 0.00 0.00 54.13 54.15 3h1j s LEU 19 Cb -0.14 -2.80 0.32 0.00 0.03 0.00 0.00 46.19 43.61 3h1j s LEU 19 CO 0.03 0.03 1.03 0.47 0.23 0.00 0.00 176.35 178.14 3h1j n ASP 20 N 3.35 0.00 -0.32 2.29 10.43 -1.26 0.75 116.55 131.79 3h1j n ASP 20 Ca -0.07 0.55 0.05 0.00 2.57 0.00 0.00 54.79 57.89 3h1j n ASP 20 Cb 0.51 -0.09 0.18 0.00 1.84 0.00 0.00 41.12 43.56 3h1j n ASP 20 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3h1j n ASN 21 N -2.63 0.93 0.00 -2.24 6.94 -1.26 -4.82 115.26 112.18 3h1j n ASN 21 Ca 0.08 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 3h1j n ASN 21 Cb 1.11 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 38.43 3h1j n ASN 21 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h1j n GLY 22 N 0.83 2.65 3.64 4.83 0.00 0.23 -3.70 105.19 113.67 3h1j n GLY 22 Ca 0.08 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 3h1j n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h1j n LEU 23 N 0.00 2.58 -4.20 0.99 7.94 -1.08 -3.91 117.00 119.33 3h1j n LEU 23 Ca 0.00 1.17 -0.34 0.00 -1.11 0.00 0.00 56.01 55.73 3h1j n LEU 23 Cb 0.00 -1.37 -0.15 0.00 0.53 0.00 0.00 43.42 42.43 3h1j n LEU 23 CO 0.00 -0.87 -0.46 -0.13 -1.11 0.00 0.00 177.39 174.82 3h1j s ARG 24 N -1.00 3.12 -0.18 1.96 0.52 -1.23 -0.26 118.95 121.87 3h1j s ARG 24 Ca 0.64 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 55.01 3h1j s ARG 24 Cb -0.68 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 3h1j s ARG 24 CO 0.55 -0.22 0.06 0.08 0.02 0.00 0.00 175.30 175.79 3h1j s VAL 25 N 1.36 4.74 0.03 3.52 1.01 0.12 -0.94 120.40 130.24 3h1j s VAL 25 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3h1j s VAL 25 Cb -0.14 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3h1j s VAL 25 CO -0.08 0.45 0.05 0.00 0.00 0.00 0.00 175.10 175.52 3h1j s ALA 26 N 0.43 0.04 -0.02 5.51 0.00 0.68 -0.10 121.76 128.31 3h1j s ALA 26 Ca 0.03 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 3h1j s ALA 26 Cb -0.13 0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.30 3h1j s ALA 26 CO 0.01 -0.27 0.84 -1.54 0.00 0.00 0.00 175.76 174.80 3h1j s SER 27 N -1.97 -0.43 -0.20 0.00 1.04 0.44 -1.43 113.70 111.14 3h1j s SER 27 Ca -0.07 0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.54 3h1j s SER 27 Cb -0.03 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3h1j s SER 27 CO -0.04 -0.61 -0.12 -0.70 0.98 0.00 0.00 173.24 172.75 3h1j s GLU 28 N -2.56 2.24 -0.23 4.02 2.12 -0.71 -0.75 118.70 122.83 3h1j s GLU 28 Ca 0.01 -0.88 -0.25 0.00 0.36 0.00 0.00 54.97 54.21 3h1j s GLU 28 Cb -0.01 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.90 3h1j s GLU 28 CO -0.05 -0.39 0.83 -2.00 -0.54 0.00 0.00 175.26 173.11 3h1j s GLU 29 N 1.35 4.20 0.37 4.30 2.12 -1.26 -2.44 118.70 127.34 3h1j s GLU 29 Ca -0.01 0.96 0.06 0.00 0.36 0.00 0.00 54.97 56.34 3h1j s GLU 29 Cb -0.16 -3.63 -0.07 0.00 0.26 0.00 0.00 34.13 30.53 3h1j s GLU 29 CO -0.09 -0.48 0.01 -1.54 -0.54 0.00 0.00 175.26 172.62 3h1j s SER 30 N 1.30 3.35 0.00 -1.70 1.04 0.61 -4.82 113.70 113.49 3h1j s SER 30 Ca 0.35 -1.35 0.29 0.00 0.48 0.00 0.00 55.95 55.72 3h1j s SER 30 Cb -0.15 -0.29 1.33 0.00 0.10 0.00 0.00 66.02 67.01 3h1j s SER 30 CO 0.08 -0.48 1.96 -1.54 0.98 0.00 0.00 173.24 174.25 3h1j n SER 31 N -0.85 0.03 -4.57 7.02 3.41 -1.26 -2.09 113.62 115.30 3h1j n SER 31 Ca -0.04 0.21 -0.60 0.00 -0.26 0.00 0.00 58.87 58.17 3h1j n SER 31 Cb 0.66 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 3h1j n SER 31 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3h1j n GLN 32 N -1.40 0.16 0.19 4.33 -0.06 -1.26 -4.60 117.38 114.74 3h1j n GLN 32 Ca 0.10 0.06 0.06 0.00 -2.00 0.00 0.00 57.00 55.21 3h1j n GLN 32 Cb 0.30 -1.58 0.33 0.00 -4.06 0.00 0.00 30.24 25.23 3h1j n GLN 32 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3h1j h PRO 33 N 3.73 0.00 -6.23 3.69 0.13 -1.92 -0.13 132.00 131.27 3h1j h PRO 33 Ca -0.49 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 3h1j h PRO 33 Cb 1.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 3h1j h PRO 33 CO 0.74 0.37 -0.35 -0.08 -0.23 0.00 0.00 178.00 178.46 3h1j s THR 34 N -3.60 2.71 0.06 1.56 -1.32 -1.26 -0.48 115.64 113.30 3h1j s THR 34 Ca 0.00 -1.26 -0.03 0.00 -1.21 0.00 0.00 61.69 59.19 3h1j s THR 34 Cb 0.11 -2.98 0.01 0.00 -1.51 0.00 0.00 72.50 68.13 3h1j s THR 34 CO 0.69 0.00 0.15 0.00 -2.21 0.00 0.00 174.62 173.25 3h1j s THR 36 N -2.73 -0.01 -0.02 0.00 2.01 -0.64 -2.36 115.64 111.89 3h1j s THR 36 Ca 0.03 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 3h1j s THR 36 Cb -0.01 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.10 3h1j s THR 36 CO 0.02 0.02 0.10 0.68 -0.69 0.00 0.00 174.62 174.75 3h1j s VAL 37 N 0.53 0.05 0.10 3.82 -7.23 -0.47 -0.74 120.40 116.45 3h1j s VAL 37 Ca -0.03 -0.37 -0.27 0.00 -1.81 0.00 0.00 61.98 59.50 3h1j s VAL 37 Cb -0.05 -0.27 0.08 0.00 0.56 0.00 0.00 36.38 36.70 3h1j s VAL 37 CO -0.03 -0.20 1.05 -0.83 -0.31 0.00 0.00 175.10 174.78 3h1j s GLY 38 N -0.66 -0.29 -0.22 2.32 0.00 -0.58 0.55 107.32 108.44 3h1j s GLY 38 Ca -0.07 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.94 3h1j s GLY 38 CO 0.00 0.05 -0.05 0.54 0.00 0.00 0.00 173.10 173.65 3h1j s VAL 39 N -3.03 3.32 -0.56 1.40 0.11 0.15 -1.20 120.40 120.60 3h1j s VAL 39 Ca 0.13 -0.51 -0.15 0.00 -2.93 0.00 0.00 61.98 58.52 3h1j s VAL 39 Cb 0.00 -2.51 0.14 0.00 -1.53 0.00 0.00 36.38 32.48 3h1j s VAL 39 CO 0.00 0.43 0.51 0.26 -3.33 0.00 0.00 175.10 172.97 3h1j s TRP 40 N 1.45 3.32 0.26 1.54 0.51 -0.04 -1.84 118.94 124.15 3h1j s TRP 40 Ca 0.06 -1.44 -0.23 0.00 -2.12 0.00 0.00 56.10 52.36 3h1j s TRP 40 Cb -0.14 -3.76 -0.09 0.00 -0.81 0.00 0.00 33.47 28.67 3h1j s TRP 40 CO -0.04 -1.01 0.82 0.42 -0.51 0.00 0.00 176.95 176.63 3h1j s ILE 41 N 1.42 4.39 -1.32 2.03 1.01 0.50 -2.49 121.20 126.74 3h1j s ILE 41 Ca 0.05 1.56 -0.07 0.00 0.00 0.00 0.00 60.65 62.19 3h1j s ILE 41 Cb -0.28 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.36 3h1j s ILE 41 CO 0.01 0.22 2.23 0.61 0.00 0.00 0.00 174.94 178.02 3h1j n GLY 42 N 0.76 5.02 3.06 6.18 0.00 -0.35 -1.55 105.19 118.32 3h1j n GLY 42 Ca -0.01 -2.04 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 3h1j n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s ALA 43 N -0.46 0.18 0.00 4.61 0.00 -1.26 -4.89 121.76 119.94 3h1j s ALA 43 Ca 0.50 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3h1j s ALA 43 Cb 0.15 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3h1j s ALA 43 CO -0.06 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3h1j n GLY 44 N 0.81 1.43 0.12 0.00 0.00 -1.26 -0.85 105.19 105.45 3h1j n GLY 44 Ca -0.19 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.16 3h1j n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1j n SER 45 N -0.24 0.69 0.16 1.61 3.41 0.04 -2.21 113.62 117.07 3h1j n SER 45 Ca 0.00 0.64 0.03 0.00 -0.26 0.00 0.00 58.87 59.27 3h1j n SER 45 Cb 0.00 -0.79 0.20 0.00 -0.26 0.00 0.00 64.21 63.36 3h1j n SER 45 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3h1j h ARG 46 N 0.00 0.00 0.00 4.33 2.43 0.10 -2.70 114.38 118.55 3h1j h ARG 46 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h1j h ARG 46 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3h1j h ARG 46 CO 0.00 0.49 -0.14 1.88 -1.51 0.00 0.00 179.97 180.69 3h1j h TYR 47 N 0.00 0.00 -4.20 2.20 -1.99 -1.62 -3.45 116.97 107.90 3h1j h TYR 47 Ca -0.00 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.24 3h1j h TYR 47 Cb 1.11 0.00 0.05 0.00 2.00 0.00 0.00 36.73 39.90 3h1j h TYR 47 CO 0.00 0.00 0.38 -1.21 -0.00 0.00 0.00 178.16 177.33 3h1j s GLU 48 N -3.22 3.45 0.00 4.88 2.02 -1.02 -5.03 118.70 119.79 3h1j s GLU 48 Ca 0.06 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.19 3h1j s GLU 48 Cb 0.06 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.24 3h1j s GLU 48 CO 0.68 -0.69 0.00 0.27 0.02 0.00 0.00 175.26 175.54 3h1j n ASN 49 N -1.97 0.88 0.13 -0.19 2.04 -1.26 -4.91 115.26 109.98 3h1j n ASN 49 Ca 0.08 -0.64 0.00 0.00 -0.44 0.00 0.00 54.58 53.59 3h1j n ASN 49 Cb 0.53 0.00 0.31 0.00 -2.53 0.00 0.00 39.78 38.09 3h1j n ASN 49 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3h1j h GLU 50 N 0.00 0.17 0.01 -3.83 4.22 -1.97 -2.46 114.58 110.72 3h1j h GLU 50 Ca 0.00 -0.06 -0.20 0.00 0.08 0.00 0.00 59.36 59.18 3h1j h GLU 50 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3h1j h GLU 50 CO 0.00 0.48 -0.91 0.87 -2.18 0.00 0.00 179.01 177.27 3h1j h LYS 51 N 0.15 0.06 -0.19 1.92 1.57 -2.03 -3.33 116.57 114.72 3h1j h LYS 51 Ca 0.02 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3h1j h LYS 51 Cb 0.65 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3h1j h LYS 51 CO 0.05 0.93 0.00 0.27 -0.57 0.00 0.00 179.45 180.12 3h1j n ASN 52 N -3.52 3.37 -4.68 0.86 6.94 -1.21 -4.93 115.26 112.09 3h1j n ASN 52 Ca -0.02 -2.94 -0.51 0.00 -0.02 0.00 0.00 54.58 51.09 3h1j n ASN 52 Cb 0.85 -0.48 -0.06 0.00 -2.36 0.00 0.00 39.78 37.74 3h1j n ASN 52 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3h1j n ASN 53 N -0.68 3.05 0.00 0.53 4.05 -0.93 -0.54 115.26 120.74 3h1j n ASN 53 Ca 0.19 0.97 0.00 0.00 0.45 0.00 0.00 54.58 56.18 3h1j n ASN 53 Cb 0.78 -1.29 0.00 0.00 1.23 0.00 0.00 39.78 40.49 3h1j n ASN 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3h1j n GLY 54 N 4.48 0.80 0.17 8.20 0.00 -1.26 -4.00 105.19 113.57 3h1j n GLY 54 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 3h1j n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j h ALA 55 N 0.00 -0.94 -0.17 4.61 0.00 -1.13 -0.89 119.26 120.74 3h1j h ALA 55 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h1j h ALA 55 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h1j h ALA 55 CO 0.00 -0.91 0.78 0.78 0.00 0.00 0.00 179.25 179.90 3h1j h GLY 56 N -0.48 0.00 0.57 0.00 0.00 -1.90 0.70 103.07 101.97 3h1j h GLY 56 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.94 3h1j h GLY 56 CO 0.07 0.00 -1.91 -1.82 0.00 0.00 0.00 176.54 172.89 3h1j h TYR 57 N 0.00 0.46 -0.64 5.60 3.20 -1.77 -2.68 116.97 121.13 3h1j h TYR 57 Ca 0.08 -0.33 -0.06 0.00 3.14 0.00 0.00 58.73 61.56 3h1j h TYR 57 Cb 1.64 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.86 3h1j h TYR 57 CO 0.00 1.75 0.16 0.35 -1.64 0.00 0.00 178.16 178.79 3h1j h PHE 58 N -0.03 1.07 -0.27 -3.82 -0.00 0.16 -2.04 116.94 112.01 3h1j h PHE 58 Ca -0.41 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.97 57.37 3h1j h PHE 58 Cb 1.97 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 37.60 3h1j h PHE 58 CO 0.08 0.89 -0.13 0.28 -0.00 0.00 0.00 178.31 179.42 3h1j h VAL 59 N 0.94 1.23 -0.51 1.41 2.07 -0.40 -2.12 116.25 118.87 3h1j h VAL 59 Ca 0.20 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3h1j h VAL 59 Cb 0.35 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3h1j h VAL 59 CO 0.00 0.32 0.15 -0.08 0.02 0.00 0.00 177.57 177.99 3h1j h GLU 60 N 0.42 0.76 0.00 1.57 4.81 -1.02 -1.29 114.58 119.83 3h1j h GLU 60 Ca 0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3h1j h GLU 60 Cb 0.49 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3h1j h GLU 60 CO 0.03 0.67 0.00 0.72 -0.73 0.00 0.00 179.01 179.70 3h1j n HIS 61 N -4.31 0.00 0.00 0.92 8.25 -0.80 -3.43 115.22 115.85 3h1j n HIS 61 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3h1j n HIS 61 Cb 0.20 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3h1j n HIS 61 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1j n LEU 62 N -1.16 0.00 0.00 2.41 4.77 -0.56 -4.57 117.00 117.89 3h1j n LEU 62 Ca 0.12 -0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 3h1j n LEU 62 Cb 0.11 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.43 3h1j n LEU 62 CO 0.13 0.00 0.47 0.00 -1.33 0.00 0.00 177.39 176.66 3h1j n ALA 63 N -1.26 1.75 -0.02 -1.18 0.00 -0.75 -1.58 120.51 117.46 3h1j n ALA 63 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3h1j n ALA 63 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3h1j n ALA 63 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h1j n PHE 64 N -1.04 0.00 0.44 0.00 0.99 -1.26 -4.67 117.46 111.92 3h1j n PHE 64 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.55 3h1j n PHE 64 Cb 0.03 0.00 0.18 0.00 -1.00 0.00 0.00 39.48 38.69 3h1j n PHE 64 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3h1j n LYS 65 N -0.74 2.40 0.00 -1.08 4.01 -0.61 -4.82 118.16 117.32 3h1j n LYS 65 Ca 0.00 -1.42 0.00 0.00 -0.51 0.00 0.00 58.31 56.38 3h1j n LYS 65 Cb 0.00 -1.59 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 3h1j n LYS 65 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3h1j n GLY 66 N 0.67 2.87 3.89 0.72 0.00 -1.26 -3.49 105.19 108.60 3h1j n GLY 66 Ca 0.13 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 3h1j n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1j n THR 67 N 0.33 0.00 0.12 2.61 -2.24 -1.00 -1.94 114.28 112.15 3h1j n THR 67 Ca 0.00 -2.12 -0.14 0.00 -2.27 0.00 0.00 64.05 59.52 3h1j n THR 67 Cb 0.00 -0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 67.96 3h1j n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3h1j h LYS 68 N 0.00 -0.25 0.42 -0.78 1.57 -1.21 -3.16 116.57 113.16 3h1j h LYS 68 Ca -0.32 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 3h1j h LYS 68 Cb 1.28 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3h1j h LYS 68 CO 0.50 -0.06 -0.20 0.87 -0.57 0.00 0.00 179.45 179.99 3h1j h LYS 69 N -0.40 -0.54 -3.98 3.15 1.57 -1.95 -3.39 116.57 111.03 3h1j h LYS 69 Ca -0.03 0.04 -0.68 0.00 -1.87 0.00 0.00 60.65 58.11 3h1j h LYS 69 Cb 0.31 0.12 -0.37 0.00 0.08 0.00 0.00 32.23 32.37 3h1j h LYS 69 CO 0.04 -0.31 -0.52 -0.98 -0.57 0.00 0.00 179.45 177.12 3h1j s ARG 70 N -5.75 2.14 0.93 3.15 1.70 -1.23 -5.08 118.95 114.81 3h1j s ARG 70 Ca -0.16 -2.24 -0.12 0.00 -0.47 0.00 0.00 55.73 52.74 3h1j s ARG 70 Cb 0.04 -3.55 0.19 0.00 -0.57 0.00 0.00 34.95 31.06 3h1j s ARG 70 CO 0.61 -1.10 0.43 -0.35 -1.08 0.00 0.00 175.30 173.81 3h1j n PRO 71 N 3.87 -1.66 0.00 3.89 -0.04 -1.20 -2.38 135.00 137.49 3h1j n PRO 71 Ca 0.04 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 3h1j n PRO 71 Cb 0.38 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3h1j n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1j h ALA 73 N -1.92 0.92 -0.76 0.00 0.00 -1.91 -0.94 119.26 114.65 3h1j h ALA 73 Ca 0.00 0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.23 3h1j h ALA 73 Cb 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 3h1j h ALA 73 CO 0.00 -0.29 0.18 0.00 0.00 0.00 0.00 179.25 179.14 3h1j h ALA 74 N 1.56 1.00 0.30 0.00 0.00 -1.69 0.46 119.26 120.89 3h1j h ALA 74 Ca 0.39 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 3h1j h ALA 74 Cb 0.63 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3h1j h ALA 74 CO -0.45 -0.36 -0.14 0.35 0.00 0.00 0.00 179.25 178.65 3h1j h PHE 75 N 0.26 -0.37 -0.26 0.00 3.57 0.37 -2.48 116.94 118.02 3h1j h PHE 75 Ca 0.44 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.99 3h1j h PHE 75 Cb 0.77 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 3h1j h PHE 75 CO -0.27 -0.23 -0.37 0.93 -2.23 0.00 0.00 178.31 176.14 3h1j h GLU 76 N -0.67 -0.35 -0.15 1.11 5.08 -1.08 -0.65 114.58 117.86 3h1j h GLU 76 Ca -0.04 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3h1j h GLU 76 Cb 0.31 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 3h1j h GLU 76 CO 0.07 -0.23 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.21 3h1j h LYS 77 N -0.36 -0.46 -0.91 2.33 3.64 -0.21 1.40 116.57 122.00 3h1j h LYS 77 Ca 0.12 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.69 3h1j h LYS 77 Cb 0.57 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.40 3h1j h LYS 77 CO -0.46 -0.31 0.50 1.49 -2.27 0.00 0.00 179.45 178.40 3h1j h GLU 78 N -0.48 0.66 0.00 1.90 4.81 -0.95 0.95 114.58 121.48 3h1j h GLU 78 Ca 0.08 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3h1j h GLU 78 Cb 0.62 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3h1j h GLU 78 CO -0.41 0.44 -0.02 0.28 -0.73 0.00 0.00 179.01 178.58 3h1j h VAL 79 N 0.68 1.70 -0.59 0.32 2.07 0.40 -3.23 116.25 117.61 3h1j h VAL 79 Ca 0.51 -2.07 0.05 0.00 0.82 0.00 0.00 66.70 66.00 3h1j h VAL 79 Cb 0.73 3.10 -0.05 0.00 -1.52 0.00 0.00 31.29 33.56 3h1j h VAL 79 CO -0.37 0.54 0.32 -0.33 0.02 0.00 0.00 177.57 177.75 3h1j h GLU 80 N -0.86 0.60 0.00 1.57 5.08 0.20 -2.18 114.58 118.98 3h1j h GLU 80 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3h1j h GLU 80 Cb 0.89 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3h1j h GLU 80 CO 0.00 0.39 0.00 -1.13 -1.00 0.00 0.00 179.01 177.28 3h1j n SER 81 N -4.82 0.52 -1.38 1.42 3.41 0.31 -1.96 113.62 111.12 3h1j n SER 81 Ca 0.06 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 3h1j n SER 81 Cb 0.14 -0.77 0.32 0.00 -0.26 0.00 0.00 64.21 63.64 3h1j n SER 81 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3h1j n MET 82 N -2.13 3.66 -2.65 4.33 0.00 -0.83 -4.94 117.12 114.57 3h1j n MET 82 Ca 0.01 -2.82 -0.22 0.00 0.00 0.00 0.00 57.70 54.67 3h1j n MET 82 Cb 0.13 -1.86 0.01 0.00 0.00 0.00 0.00 33.22 31.49 3h1j n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h1j n GLY 83 N 0.65 -0.51 3.79 3.17 0.00 -0.83 -4.81 105.19 106.66 3h1j n GLY 83 Ca 0.23 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 3h1j n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s ALA 84 N -3.10 3.57 -0.19 4.61 0.00 -1.18 -4.83 121.76 120.64 3h1j s ALA 84 Ca 0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3h1j s ALA 84 Cb -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3h1j s ALA 84 CO 0.15 0.63 -0.13 -1.01 0.00 0.00 0.00 175.76 175.40 3h1j s HIS 85 N -1.57 2.85 -0.07 0.00 0.09 -0.17 -4.58 115.29 111.84 3h1j s HIS 85 Ca 0.30 -1.19 0.01 0.00 -0.00 0.00 0.00 55.06 54.18 3h1j s HIS 85 Cb -0.11 -1.98 -0.03 0.00 -0.00 0.00 0.00 32.58 30.46 3h1j s HIS 85 CO 0.23 -0.61 -0.10 0.12 -0.00 0.00 0.00 174.74 174.38 3h1j s PHE 86 N 1.21 2.85 -0.21 1.40 2.19 -1.26 -0.35 117.98 123.81 3h1j s PHE 86 Ca 0.02 -0.12 -0.36 0.00 0.33 0.00 0.00 56.93 56.80 3h1j s PHE 86 Cb -0.14 -1.71 0.14 0.00 -1.31 0.00 0.00 43.02 40.00 3h1j s PHE 86 CO -0.06 0.21 1.25 1.21 1.83 0.00 0.00 175.22 179.66 3h1j s ASN 87 N -0.59 -0.11 0.00 6.13 2.47 -0.89 -5.03 114.94 116.92 3h1j s ASN 87 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.37 3h1j s ASN 87 Cb -0.12 0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.80 3h1j s ASN 87 CO 0.02 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 173.82 3h1j n GLY 88 N -0.07 3.04 3.83 1.21 0.00 -1.26 -1.76 105.19 110.18 3h1j n GLY 88 Ca 0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 3h1j n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h1j s TYR 89 N -2.96 0.03 -0.26 1.61 -0.85 0.15 -5.00 117.35 110.07 3h1j s TYR 89 Ca 0.00 -0.54 -0.02 0.00 -0.52 0.00 0.00 57.07 56.00 3h1j s TYR 89 Cb 0.00 0.75 0.14 0.00 0.38 0.00 0.00 41.96 43.23 3h1j s TYR 89 CO 0.00 -1.21 0.39 -0.08 -1.52 0.00 0.00 175.55 173.13 3h1j s THR 90 N -2.59 -0.62 0.00 -3.49 -1.32 -1.26 -1.56 115.64 104.80 3h1j s THR 90 Ca 0.17 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 3h1j s THR 90 Cb -0.04 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 3h1j s THR 90 CO 0.08 -0.17 0.00 -1.54 -2.21 0.00 0.00 174.62 170.78 3h1j n SER 91 N 5.36 0.00 0.09 8.08 3.41 0.18 -4.92 113.62 125.82 3h1j n SER 91 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.44 3h1j n SER 91 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 3h1j n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h1j h ARG 92 N 0.00 0.29 0.00 4.33 3.08 -1.93 -2.97 114.38 117.18 3h1j h ARG 92 Ca 0.00 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.50 3h1j h ARG 92 Cb 0.00 0.14 -0.29 0.00 0.08 0.00 0.00 29.97 29.90 3h1j h ARG 92 CO 0.00 1.15 -0.90 -0.85 -1.07 0.00 0.00 179.97 178.30 3h1j n GLU 93 N -3.60 0.03 -3.66 0.04 0.28 -1.26 0.15 120.64 112.61 3h1j n GLU 93 Ca -0.07 -1.79 -0.08 0.00 -0.16 0.00 0.00 57.16 55.06 3h1j n GLU 93 Cb 0.94 -0.15 -0.08 0.00 1.43 0.00 0.00 31.44 33.58 3h1j n GLU 93 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3h1j s GLN 94 N -0.06 0.54 0.07 3.44 0.74 -0.83 -4.08 119.66 119.47 3h1j s GLN 94 Ca 0.26 1.08 0.09 0.00 0.05 0.00 0.00 55.36 56.84 3h1j s GLN 94 Cb 0.30 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.56 3h1j s GLN 94 CO -0.13 -0.17 -0.24 0.99 -0.55 0.00 0.00 175.29 175.19 3h1j s THR 95 N 1.81 1.99 -0.06 -0.34 2.01 -0.03 0.49 115.64 121.51 3h1j s THR 95 Ca -0.08 -1.43 -0.12 0.00 0.31 0.00 0.00 61.69 60.36 3h1j s THR 95 Cb -0.08 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.72 3h1j s THR 95 CO -0.16 0.22 0.29 0.00 -0.69 0.00 0.00 174.62 174.27 3h1j s ALA 96 N -0.90 -0.72 -0.05 7.40 0.00 -0.60 -0.37 121.76 126.52 3h1j s ALA 96 Ca 0.10 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 3h1j s ALA 96 Cb -0.10 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.85 3h1j s ALA 96 CO 0.03 -0.20 -0.01 -0.06 0.00 0.00 0.00 175.76 175.52 3h1j s PHE 97 N -0.61 0.58 0.07 0.00 0.40 -0.76 -0.68 117.98 116.98 3h1j s PHE 97 Ca -0.07 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 3h1j s PHE 97 Cb -0.04 -0.65 0.01 0.00 0.51 0.00 0.00 43.02 42.85 3h1j s PHE 97 CO 0.02 -0.24 0.25 1.52 0.70 0.00 0.00 175.22 177.48 3h1j s TYR 98 N 1.45 0.01 0.09 0.36 -0.85 -0.72 0.31 117.35 118.00 3h1j s TYR 98 Ca -0.03 -0.30 0.08 0.00 -0.52 0.00 0.00 57.07 56.31 3h1j s TYR 98 Cb -0.13 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 3h1j s TYR 98 CO -0.03 -0.53 -0.22 0.42 -1.52 0.00 0.00 175.55 173.67 3h1j s ILE 99 N -3.23 1.78 -0.33 -3.49 1.01 0.19 -2.09 121.20 115.05 3h1j s ILE 99 Ca -0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.12 3h1j s ILE 99 Cb 0.02 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 40.95 3h1j s ILE 99 CO -0.08 0.02 0.07 -0.54 0.00 0.00 0.00 174.94 174.41 3h1j s LYS 100 N -1.77 2.38 0.21 2.79 1.02 0.52 -1.37 119.74 123.53 3h1j s LYS 100 Ca 0.08 -1.36 -0.00 0.00 0.02 0.00 0.00 55.97 54.70 3h1j s LYS 100 Cb -0.10 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3h1j s LYS 100 CO 0.04 -0.73 0.14 0.00 -0.92 0.00 0.00 175.35 173.89 3h1j s ALA 101 N 1.26 1.23 0.19 5.17 0.00 -0.99 -1.00 121.76 127.62 3h1j s ALA 101 Ca -0.02 -1.74 -0.31 0.00 0.00 0.00 0.00 51.96 49.90 3h1j s ALA 101 Cb -0.20 1.40 -0.09 0.00 0.00 0.00 0.00 23.12 24.22 3h1j s ALA 101 CO -0.01 -0.60 1.40 -0.51 0.00 0.00 0.00 175.76 176.05 3h1j s LEU 102 N -3.18 4.39 0.63 0.00 1.43 -1.26 -0.55 118.68 120.14 3h1j s LEU 102 Ca 0.39 2.48 0.21 0.00 -1.03 0.00 0.00 54.13 56.18 3h1j s LEU 102 Cb 0.07 -3.61 0.93 0.00 0.03 0.00 0.00 46.19 43.61 3h1j s LEU 102 CO 0.13 -0.65 1.47 0.28 0.23 0.00 0.00 176.35 177.81 3h1j h SER 103 N 5.85 0.00 0.20 2.29 0.02 -1.00 0.58 113.55 121.49 3h1j h SER 103 Ca -0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 3h1j h SER 103 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3h1j h SER 103 CO 0.82 0.00 -0.10 0.50 -1.14 0.00 0.00 176.83 176.91 3h1j h LYS 104 N 0.00 -0.26 0.00 3.45 3.64 -1.86 -2.87 116.57 118.67 3h1j h LYS 104 Ca 0.20 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3h1j h LYS 104 Cb 1.87 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 3h1j h LYS 104 CO -0.00 -0.10 0.00 -0.25 -2.27 0.00 0.00 179.45 176.83 3h1j n ASP 105 N -5.16 0.00 -0.34 4.20 8.00 0.20 -4.37 116.55 119.09 3h1j n ASP 105 Ca -0.09 -1.24 -0.02 0.00 0.71 0.00 0.00 54.79 54.15 3h1j n ASP 105 Cb 0.16 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 3h1j n ASP 105 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3h1j n MET 106 N -0.66 -0.23 0.07 -1.24 0.00 -1.08 -1.21 117.12 112.77 3h1j n MET 106 Ca 0.05 1.32 -0.03 0.00 -0.00 0.00 0.00 57.70 59.04 3h1j n MET 106 Cb 0.03 -1.96 0.20 0.00 0.00 0.00 0.00 33.22 31.48 3h1j n MET 106 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 3h1j h PRO 107 N 0.00 0.33 0.00 2.12 0.13 -1.86 -2.97 132.00 129.75 3h1j h PRO 107 Ca 0.28 -0.16 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 3h1j h PRO 107 Cb 0.49 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 3h1j h PRO 107 CO -0.85 0.68 -0.56 -0.22 -0.23 0.00 0.00 178.00 176.82 3h1j h LYS 108 N 0.28 0.00 0.07 0.86 1.63 -1.48 -3.07 116.57 114.85 3h1j h LYS 108 Ca 0.03 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3h1j h LYS 108 Cb 0.83 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 3h1j h LYS 108 CO 0.07 0.56 -0.03 0.28 -3.45 0.00 0.00 179.45 176.87 3h1j h VAL 109 N 0.00 1.15 -0.83 2.00 2.07 -1.27 -1.93 116.25 117.45 3h1j h VAL 109 Ca -0.01 -0.80 0.19 0.00 0.82 0.00 0.00 66.70 66.90 3h1j h VAL 109 Cb 1.04 1.67 -0.12 0.00 -1.52 0.00 0.00 31.29 32.37 3h1j h VAL 109 CO 0.07 0.20 0.30 0.58 0.02 0.00 0.00 177.57 178.74 3h1j h VAL 110 N -0.46 0.50 -0.16 2.57 2.07 -1.51 0.63 116.25 119.90 3h1j h VAL 110 Ca -0.01 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3h1j h VAL 110 Cb 0.40 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3h1j h VAL 110 CO 0.02 0.07 -0.01 -0.08 0.02 0.00 0.00 177.57 177.58 3h1j h GLU 111 N 0.36 0.04 -0.51 1.57 4.81 -1.42 0.56 114.58 119.99 3h1j h GLU 111 Ca 0.49 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.74 3h1j h GLU 111 Cb 0.89 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3h1j h GLU 111 CO -0.51 0.02 0.31 -0.07 -0.73 0.00 0.00 179.01 178.03 3h1j h LEU 112 N 0.04 0.50 0.32 1.64 3.38 0.53 0.83 115.31 122.54 3h1j h LEU 112 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3h1j h LEU 112 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h1j h LEU 112 CO -0.14 0.36 -0.32 -0.07 0.09 0.00 0.00 178.44 178.36 3h1j h LEU 113 N 0.62 -0.87 -0.65 1.67 3.38 0.49 -1.97 115.31 117.98 3h1j h LEU 113 Ca 0.20 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.38 3h1j h LEU 113 Cb 0.01 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 3h1j h LEU 113 CO -0.09 -0.45 0.15 0.00 0.09 0.00 0.00 178.44 178.14 3h1j h ALA 114 N -0.14 0.79 0.00 1.53 0.00 -0.59 0.91 119.26 121.76 3h1j h ALA 114 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h1j h ALA 114 Cb 0.61 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3h1j h ALA 114 CO -0.06 -0.31 -0.03 0.22 0.00 0.00 0.00 179.25 179.07 3h1j h ASP 115 N 0.27 0.00 0.00 0.00 3.58 -0.34 -2.23 116.42 117.69 3h1j h ASP 115 Ca 0.35 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.74 3h1j h ASP 115 Cb 0.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3h1j h ASP 115 CO -0.44 0.03 -0.39 0.58 -2.88 0.00 0.00 179.24 176.14 3h1j h VAL 116 N 0.00 0.82 0.00 2.25 2.07 -0.10 -2.29 116.25 119.00 3h1j h VAL 116 Ca -0.00 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3h1j h VAL 116 Cb 0.16 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3h1j h VAL 116 CO 0.00 0.28 -0.06 -0.37 0.02 0.00 0.00 177.57 177.44 3h1j h VAL 117 N -1.00 0.53 0.00 2.57 -1.51 -1.40 -3.23 116.25 112.21 3h1j h VAL 117 Ca -0.08 -0.29 -0.27 0.00 -1.23 0.00 0.00 66.70 64.83 3h1j h VAL 117 Cb 0.73 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 31.04 3h1j h VAL 117 CO -0.05 0.06 -1.86 0.00 -1.23 0.00 0.00 177.57 174.49 3h1j n GLN 118 N -3.72 0.53 -1.92 5.19 6.02 -0.85 -4.78 117.38 117.86 3h1j n GLN 118 Ca -0.02 0.22 -0.36 0.00 -0.01 0.00 0.00 57.00 56.83 3h1j n GLN 118 Cb 0.17 -1.40 0.04 0.00 1.02 0.00 0.00 30.24 30.06 3h1j n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h1j n ASN 119 N -4.26 6.90 -4.69 1.08 3.02 -0.86 -5.02 115.26 111.43 3h1j n ASN 119 Ca -0.36 -3.80 -0.42 0.00 -0.03 0.00 0.00 54.58 49.96 3h1j n ASN 119 Cb 0.72 -0.90 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3h1j n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1j h ALA 121 N 8.39 -0.41 -3.34 0.00 0.00 -1.60 -3.43 119.26 118.87 3h1j h ALA 121 Ca -0.44 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 3h1j h ALA 121 Cb 1.21 0.53 0.04 0.00 0.00 0.00 0.00 17.79 19.56 3h1j h ALA 121 CO 0.93 -0.80 -0.45 1.28 0.00 0.00 0.00 179.25 180.22 3h1j n LEU 122 N -5.40 -2.35 -4.39 0.00 4.77 -1.26 -4.82 117.00 103.55 3h1j n LEU 122 Ca -0.05 -0.20 -0.53 0.00 -0.03 0.00 0.00 56.01 55.20 3h1j n LEU 122 Cb 0.31 -2.34 -0.08 0.00 -2.33 0.00 0.00 43.42 38.98 3h1j n LEU 122 CO 0.20 0.15 1.79 1.21 -1.33 0.00 0.00 177.39 179.40 3h1j n GLU 123 N -3.13 0.77 0.00 3.23 4.07 -1.26 -4.72 120.64 119.60 3h1j n GLU 123 Ca -0.09 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 3h1j n GLU 123 Cb 0.59 -2.20 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 3h1j n GLU 123 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3h1j n GLU 124 N 8.02 0.00 -0.08 5.31 2.13 -1.26 -0.70 120.64 134.06 3h1j n GLU 124 Ca 0.45 0.20 -0.15 0.00 0.66 0.00 0.00 57.16 58.32 3h1j n GLU 124 Cb 0.16 -1.55 -0.12 0.00 0.27 0.00 0.00 31.44 30.20 3h1j n GLU 124 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3h1j h SER 125 N 0.00 0.00 -0.30 4.31 0.02 -2.01 -3.32 113.55 112.24 3h1j h SER 125 Ca 0.00 -0.82 -0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3h1j h SER 125 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3h1j h SER 125 CO 0.00 1.10 0.19 -0.61 -1.14 0.00 0.00 176.83 176.37 3h1j h GLN 126 N -1.00 0.41 -0.84 3.45 5.75 -1.28 -3.05 115.11 118.55 3h1j h GLN 126 Ca -0.09 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.50 3h1j h GLN 126 Cb 1.03 -0.09 -0.14 0.00 1.07 0.00 0.00 27.48 29.36 3h1j h GLN 126 CO -0.05 0.31 -0.41 0.82 -2.65 0.00 0.00 178.83 176.84 3h1j h ILE 127 N 0.39 0.05 -0.01 2.39 2.04 -1.48 0.96 117.51 121.85 3h1j h ILE 127 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3h1j h ILE 127 Cb -0.00 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3h1j h ILE 127 CO -0.02 0.00 0.01 -0.33 0.00 0.00 0.00 178.15 177.81 3h1j h GLU 128 N -0.07 0.00 0.06 2.37 4.39 -1.63 0.37 114.58 120.07 3h1j h GLU 128 Ca 0.27 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 3h1j h GLU 128 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3h1j h GLU 128 CO -0.87 0.00 -0.03 -0.22 -1.16 0.00 0.00 179.01 176.73 3h1j h LYS 129 N 0.00 -0.08 -0.49 2.33 3.64 0.81 -3.24 116.57 119.54 3h1j h LYS 129 Ca 0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.52 3h1j h LYS 129 Cb 0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3h1j h LYS 129 CO -0.00 0.37 0.35 0.93 -2.27 0.00 0.00 179.45 178.83 3h1j h GLU 130 N -0.97 0.08 -0.45 1.90 4.39 -0.47 0.34 114.58 119.39 3h1j h GLU 130 Ca -0.01 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.74 3h1j h GLU 130 Cb 0.48 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 3h1j h GLU 130 CO 0.01 0.05 0.19 -0.09 -1.16 0.00 0.00 179.01 178.01 3h1j h ARG 131 N 0.08 0.37 0.00 2.33 2.43 -0.98 0.19 114.38 118.79 3h1j h ARG 131 Ca 0.23 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3h1j h ARG 131 Cb 0.83 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3h1j h ARG 131 CO -0.02 0.24 -0.24 0.78 -1.51 0.00 0.00 179.97 179.22 3h1j h GLY 132 N 0.38 0.00 0.34 2.80 0.00 -0.98 -2.57 103.07 103.04 3h1j h GLY 132 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3h1j h GLY 132 CO -0.18 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.24 3h1j h VAL 133 N 0.00 1.21 -0.10 4.60 2.07 -0.47 -2.60 116.25 120.97 3h1j h VAL 133 Ca -0.00 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.18 3h1j h VAL 133 Cb 0.81 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 3h1j h VAL 133 CO 0.03 0.32 -0.14 0.40 0.02 0.00 0.00 177.57 178.20 3h1j h ILE 134 N -0.76 0.62 -1.07 4.57 2.04 -0.73 0.88 117.51 123.07 3h1j h ILE 134 Ca -0.01 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.14 3h1j h ILE 134 Cb 0.60 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3h1j h ILE 134 CO 0.02 0.00 0.74 -0.07 0.00 0.00 0.00 178.15 178.83 3h1j h LEU 135 N -0.19 0.17 0.30 1.44 3.38 -1.51 0.50 115.31 119.41 3h1j h LEU 135 Ca 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3h1j h LEU 135 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3h1j h LEU 135 CO -0.21 0.04 -0.15 -0.61 0.09 0.00 0.00 178.44 177.60 3h1j h GLN 136 N 0.15 -0.39 -1.42 1.13 5.75 -0.56 -3.06 115.11 116.70 3h1j h GLN 136 Ca 0.54 0.03 0.45 0.00 -0.15 0.00 0.00 58.65 59.52 3h1j h GLN 136 Cb 1.85 0.09 -0.12 0.00 1.07 0.00 0.00 27.48 30.37 3h1j h GLN 136 CO -0.11 -0.26 0.95 0.93 -2.65 0.00 0.00 178.83 177.68 3h1j h GLU 137 N -1.11 0.06 0.28 1.69 5.08 0.92 1.18 114.58 122.69 3h1j h GLU 137 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3h1j h GLU 137 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3h1j h GLU 137 CO 0.07 0.04 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.92 3h1j h LEU 138 N 0.07 -0.32 -0.98 1.33 3.38 -1.00 0.16 115.31 117.94 3h1j h LEU 138 Ca 0.83 -0.17 0.33 0.00 0.09 0.00 0.00 57.88 58.96 3h1j h LEU 138 Cb 2.76 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 43.43 3h1j h LEU 138 CO -0.33 0.01 0.48 0.11 0.09 0.00 0.00 178.44 178.80 3h1j h LYS 139 N -0.67 0.20 0.37 1.13 1.79 0.15 -0.32 116.57 119.22 3h1j h LYS 139 Ca -0.04 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3h1j h LYS 139 Cb 0.47 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3h1j h LYS 139 CO 0.06 0.14 -0.18 0.93 -1.08 0.00 0.00 179.45 179.32 3h1j h GLU 140 N 0.21 -0.47 -0.03 3.15 5.08 -0.96 -3.26 114.58 118.29 3h1j h GLU 140 Ca 0.73 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 59.13 3h1j h GLU 140 Cb 1.70 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.06 3h1j h GLU 140 CO -0.67 -0.30 0.30 0.52 -1.00 0.00 0.00 179.01 177.85 3h1j h MET 141 N -1.13 0.00 0.00 2.33 2.86 0.11 0.34 114.93 119.45 3h1j h MET 141 Ca -0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3h1j h MET 141 Cb 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3h1j h MET 141 CO 0.08 0.00 -0.02 0.22 1.06 0.00 0.00 176.91 178.25 3h1j h ASP 142 N 0.00 0.00 -0.41 1.22 3.58 -1.13 -1.96 116.42 117.72 3h1j h ASP 142 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3h1j h ASP 142 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3h1j h ASP 142 CO -0.00 0.02 0.00 0.59 -2.88 0.00 0.00 179.24 176.97 3h1j n ASN 143 N -3.12 4.23 -4.09 2.28 3.02 0.12 -4.58 115.26 113.11 3h1j n ASN 143 Ca 0.00 -2.62 -0.36 0.00 -0.03 0.00 0.00 54.58 51.58 3h1j n ASN 143 Cb 0.31 -0.62 -0.09 0.00 -0.61 0.00 0.00 39.78 38.77 3h1j n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1j s ASP 144 N -0.56 5.35 0.29 6.41 -1.08 -0.74 -4.94 116.67 121.39 3h1j s ASP 144 Ca 0.38 -3.03 -0.03 0.00 -0.52 0.00 0.00 52.55 49.34 3h1j s ASP 144 Cb 0.28 -1.86 0.60 0.00 -1.46 0.00 0.00 42.92 40.49 3h1j s ASP 144 CO 0.12 -0.33 1.58 0.24 0.52 0.00 0.00 175.17 177.29 3h1j h MET 145 N 6.81 0.01 -0.57 4.34 2.86 -1.85 0.41 114.93 126.95 3h1j h MET 145 Ca 0.02 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 3h1j h MET 145 Cb 0.92 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.52 3h1j h MET 145 CO 0.73 0.01 0.23 1.15 1.06 0.00 0.00 176.91 180.10 3h1j h THR 146 N 0.02 0.84 0.60 2.22 2.02 -1.95 0.22 112.91 116.88 3h1j h THR 146 Ca 0.53 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.53 3h1j h THR 146 Cb 0.98 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3h1j h THR 146 CO -0.92 0.08 -0.29 0.78 0.37 0.00 0.00 175.52 175.54 3h1j h ASN 147 N 0.43 -0.68 -0.99 4.18 2.35 -0.60 -2.06 115.58 118.21 3h1j h ASN 147 Ca 0.27 -0.02 0.33 0.00 -0.55 0.00 0.00 56.30 56.33 3h1j h ASN 147 Cb 0.29 0.18 -0.15 0.00 0.05 0.00 0.00 38.32 38.68 3h1j h ASN 147 CO -0.25 -0.31 0.51 0.58 -1.65 0.00 0.00 177.43 176.30 3h1j h VAL 148 N -1.12 0.24 -0.26 2.81 2.07 -0.73 0.81 116.25 120.08 3h1j h VAL 148 Ca -0.08 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 3h1j h VAL 148 Cb 0.66 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3h1j h VAL 148 CO 0.14 0.04 -0.46 0.74 0.02 0.00 0.00 177.57 178.05 3h1j h THR 149 N 0.24 1.30 0.02 2.57 2.02 -0.41 -2.11 112.91 116.55 3h1j h THR 149 Ca 0.73 -1.66 -0.22 0.00 0.77 0.00 0.00 66.41 66.04 3h1j h THR 149 Cb 1.70 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 3h1j h THR 149 CO -0.65 0.53 -1.01 -0.26 0.37 0.00 0.00 175.52 174.50 3h1j h PHE 150 N 0.53 0.12 0.32 3.16 -1.00 -0.17 -0.49 116.94 119.42 3h1j h PHE 150 Ca 0.03 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 3h1j h PHE 150 Cb 1.00 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.56 3h1j h PHE 150 CO 0.05 1.03 -0.16 -0.44 -1.61 0.00 0.00 178.31 177.18 3h1j h ASP 151 N 0.02 -0.37 -1.00 2.17 3.32 -1.15 -0.93 116.42 118.48 3h1j h ASP 151 Ca -0.04 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.04 3h1j h ASP 151 Cb 1.74 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 41.31 3h1j h ASP 151 CO 0.14 -0.13 0.63 1.88 -1.72 0.00 0.00 179.24 180.04 3h1j h TYR 152 N -0.60 1.13 0.19 4.55 0.99 -1.40 1.21 116.97 123.04 3h1j h TYR 152 Ca -0.04 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.73 3h1j h TYR 152 Cb 0.43 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.77 3h1j h TYR 152 CO -0.01 0.47 -0.32 1.25 -0.00 0.00 0.00 178.16 179.54 3h1j h LEU 153 N 1.01 -0.92 -0.60 3.88 5.85 -0.64 0.17 115.31 124.05 3h1j h LEU 153 Ca 0.48 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.33 3h1j h LEU 153 Cb 0.45 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3h1j h LEU 153 CO -0.25 -0.43 0.37 0.45 -0.34 0.00 0.00 178.44 178.25 3h1j h HIS 154 N -0.59 0.69 -1.08 1.25 3.86 0.25 0.37 115.15 119.90 3h1j h HIS 154 Ca 0.01 0.02 0.29 0.00 -1.16 0.00 0.00 60.37 59.53 3h1j h HIS 154 Cb 0.59 -0.22 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 3h1j h HIS 154 CO -0.26 0.39 0.70 0.00 0.86 0.00 0.00 177.93 179.63 3h1j h ALA 155 N 1.26 2.38 0.00 2.45 0.00 0.26 -0.17 119.26 125.44 3h1j h ALA 155 Ca 0.24 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.94 3h1j h ALA 155 Cb 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3h1j h ALA 155 CO -0.10 -0.80 -2.01 -2.37 0.00 0.00 0.00 179.25 173.98 3h1j n THR 156 N -4.58 1.01 -0.33 0.00 5.66 -0.07 -3.22 114.28 112.76 3h1j n THR 156 Ca 0.26 -0.45 -0.00 0.00 -3.05 0.00 0.00 64.05 60.81 3h1j n THR 156 Cb 0.97 -0.99 0.17 0.00 -1.55 0.00 0.00 70.33 68.92 3h1j n THR 156 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h1j h ALA 157 N 0.19 1.37 -0.22 1.79 0.00 -0.10 -2.43 119.26 119.86 3h1j h ALA 157 Ca -0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3h1j h ALA 157 Cb 1.69 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3h1j h ALA 157 CO -0.04 0.57 -0.06 1.19 0.00 0.00 0.00 179.25 180.91 3h1j n PHE 158 N -4.41 0.75 -1.46 0.00 3.01 -0.09 -0.24 117.46 115.02 3h1j n PHE 158 Ca 0.12 -1.18 -0.44 0.00 1.01 0.00 0.00 57.45 56.95 3h1j n PHE 158 Cb 0.05 -0.34 -0.01 0.00 -0.01 0.00 0.00 39.48 39.17 3h1j n PHE 158 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1j n GLN 159 N -0.93 0.54 -0.20 -1.08 10.64 -0.91 -1.33 117.38 124.10 3h1j n GLN 159 Ca 0.24 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.60 3h1j n GLN 159 Cb 0.88 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.88 3h1j n GLN 159 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h1j n GLY 160 N 1.76 2.33 2.16 2.61 0.00 -1.26 -4.86 105.19 107.93 3h1j n GLY 160 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 3h1j n GLY 160 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1j n THR 161 N -2.00 0.00 0.11 2.61 -2.24 -0.44 -5.02 114.28 107.30 3h1j n THR 161 Ca 0.00 -1.34 -0.02 0.00 -2.27 0.00 0.00 64.05 60.41 3h1j n THR 161 Cb 0.00 0.06 0.04 0.00 -2.10 0.00 0.00 70.33 68.33 3h1j n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1j h ALA 162 N 0.96 0.66 0.00 6.98 0.00 -1.90 -3.09 119.26 122.86 3h1j h ALA 162 Ca -0.23 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3h1j h ALA 162 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h1j h ALA 162 CO 0.37 0.93 0.00 1.28 0.00 0.00 0.00 179.25 181.83 3h1j n LEU 163 N -3.48 0.00 -0.80 0.00 4.77 -1.26 -2.32 117.00 113.91 3h1j n LEU 163 Ca -0.00 0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.51 3h1j n LEU 163 Cb 0.76 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 41.53 3h1j n LEU 163 CO 0.43 -0.25 0.59 0.00 -1.33 0.00 0.00 177.39 176.84 3h1j n ALA 164 N -1.48 2.69 -2.78 -1.18 0.00 -1.17 -4.69 120.51 111.90 3h1j n ALA 164 Ca 0.04 -0.68 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 3h1j n ALA 164 Cb 0.16 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 3h1j n ALA 164 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1j s ARG 165 N -1.64 2.87 0.65 0.00 0.52 -0.98 -4.15 118.95 116.23 3h1j s ARG 165 Ca 0.23 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.53 3h1j s ARG 165 Cb 0.14 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 3h1j s ARG 165 CO 0.12 0.52 1.06 0.95 0.02 0.00 0.00 175.30 177.97 3h1j s THR 166 N -1.58 4.24 0.02 0.02 -4.23 -1.26 -4.96 115.64 107.88 3h1j s THR 166 Ca 0.30 0.73 -0.19 0.00 -1.18 0.00 0.00 61.69 61.35 3h1j s THR 166 Cb -0.11 -3.71 -0.21 0.00 1.34 0.00 0.00 72.50 69.81 3h1j s THR 166 CO 0.23 -0.95 1.16 0.58 -0.54 0.00 0.00 174.62 175.10 3h1j h VAL 167 N -0.46 1.40 0.00 2.29 2.07 -1.91 -3.21 116.25 116.43 3h1j h VAL 167 Ca -0.44 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.11 3h1j h VAL 167 Cb 1.21 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3h1j h VAL 167 CO 0.62 0.58 -0.00 -0.33 0.02 0.00 0.00 177.57 178.46 3h1j h GLU 168 N 0.00 0.00 -0.25 1.57 3.07 -1.94 -3.38 114.58 113.66 3h1j h GLU 168 Ca -0.06 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3h1j h GLU 168 Cb 1.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 3h1j h GLU 168 CO 0.11 0.00 -0.05 0.41 -1.40 0.00 0.00 179.01 178.08 3h1j n GLY 169 N -1.05 -1.55 3.82 -3.84 0.00 -1.21 -4.53 105.19 96.82 3h1j n GLY 169 Ca -0.03 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 3h1j n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1j s THR 170 N -1.44 3.94 0.35 2.61 2.01 -1.26 -4.93 115.64 116.92 3h1j s THR 170 Ca 0.00 0.63 0.08 0.00 0.31 0.00 0.00 61.69 62.72 3h1j s THR 170 Cb 0.00 -3.35 0.10 0.00 0.01 0.00 0.00 72.50 69.26 3h1j s THR 170 CO 0.00 -0.83 1.82 0.74 -0.69 0.00 0.00 174.62 175.66 3h1j h THR 171 N -0.76 1.24 0.03 -0.82 2.02 -1.96 -2.51 112.91 110.15 3h1j h THR 171 Ca -0.44 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 65.60 3h1j h THR 171 Cb 1.21 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 3h1j h THR 171 CO 0.56 0.34 -0.02 -0.33 0.37 0.00 0.00 175.52 176.45 3h1j h GLU 172 N 0.20 -0.05 -0.95 6.66 4.39 -1.98 -2.28 114.58 120.57 3h1j h GLU 172 Ca 0.03 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.80 3h1j h GLU 172 Cb 0.58 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 3h1j h GLU 172 CO 0.04 0.44 0.62 -0.91 -1.16 0.00 0.00 179.01 178.04 3h1j h ASN 173 N -0.55 0.97 -0.26 1.42 4.21 -1.84 0.34 115.58 119.87 3h1j h ASN 173 Ca -0.00 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 3h1j h ASN 173 Cb 0.51 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 3h1j h ASN 173 CO 0.01 0.62 0.05 0.40 -1.29 0.00 0.00 177.43 177.22 3h1j h ILE 174 N 1.10 1.22 0.00 2.81 2.04 -1.47 0.52 117.51 123.74 3h1j h ILE 174 Ca 0.41 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3h1j h ILE 174 Cb 0.18 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3h1j h ILE 174 CO -0.16 0.24 -0.00 0.11 0.00 0.00 0.00 178.15 178.34 3h1j h LYS 175 N 0.24 0.00 0.00 2.37 1.57 -0.65 -3.32 116.57 116.79 3h1j h LYS 175 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3h1j h LYS 175 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3h1j h LYS 175 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 3h1j n HIS 176 N -3.09 0.00 -1.56 -1.35 8.25 0.00 -5.06 115.22 112.42 3h1j n HIS 176 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3h1j n HIS 176 Cb 0.17 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.30 3h1j n HIS 176 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1j n LEU 177 N -0.72 1.90 -4.65 2.41 4.77 0.18 -4.97 117.00 115.92 3h1j n LEU 177 Ca 0.00 0.95 -0.28 0.00 -0.03 0.00 0.00 56.01 56.65 3h1j n LEU 177 Cb 0.00 -1.28 -0.08 0.00 -2.33 0.00 0.00 43.42 39.73 3h1j n LEU 177 CO 0.00 -2.01 -0.35 -0.89 -1.33 0.00 0.00 177.39 172.80 3h1j s THR 178 N -1.38 3.74 0.31 -5.08 2.01 -1.26 -4.99 115.64 108.99 3h1j s THR 178 Ca 0.65 -1.25 0.08 0.00 0.31 0.00 0.00 61.69 61.48 3h1j s THR 178 Cb -0.55 -2.82 0.33 0.00 0.01 0.00 0.00 72.50 69.47 3h1j s THR 178 CO 0.56 0.01 1.64 -0.09 -0.69 0.00 0.00 174.62 176.05 3h1j h ARG 179 N 3.14 0.22 -0.62 4.92 2.43 -1.95 0.88 114.38 123.40 3h1j h ARG 179 Ca -0.48 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 3h1j h ARG 179 Cb 1.18 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 3h1j h ARG 179 CO 0.57 0.14 0.31 0.00 -1.51 0.00 0.00 179.97 179.49 3h1j h ALA 180 N 1.84 0.82 0.35 2.80 0.00 -1.98 0.66 119.26 123.74 3h1j h ALA 180 Ca 0.64 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.57 3h1j h ALA 180 Cb 1.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h1j h ALA 180 CO -0.66 -0.04 -0.19 -0.44 0.00 0.00 0.00 179.25 177.92 3h1j h ASP 181 N 0.57 -0.45 -0.71 0.00 5.19 0.39 0.66 116.42 122.07 3h1j h ASP 181 Ca 0.28 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.76 3h1j h ASP 181 Cb 0.23 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 3h1j h ASP 181 CO -0.21 -0.31 0.47 -0.07 -3.12 0.00 0.00 179.24 176.00 3h1j h LEU 182 N -0.50 0.70 0.48 1.55 3.38 -1.11 -0.32 115.31 119.49 3h1j h LEU 182 Ca -0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3h1j h LEU 182 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3h1j h LEU 182 CO 0.07 0.47 -0.35 0.00 0.09 0.00 0.00 178.44 178.72 3h1j h ALA 183 N 1.60 -1.12 -0.65 1.53 0.00 0.05 -2.07 119.26 118.61 3h1j h ALA 183 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h1j h ALA 183 Cb 0.14 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3h1j h ALA 183 CO -0.09 -1.10 0.39 0.66 0.00 0.00 0.00 179.25 179.10 3h1j h SER 184 N -0.79 0.77 -0.29 0.00 4.64 -0.64 -1.91 113.55 115.33 3h1j h SER 184 Ca -0.06 -0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3h1j h SER 184 Cb 0.65 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 62.47 3h1j h SER 184 CO 0.03 0.59 -0.27 0.22 -0.87 0.00 0.00 176.83 176.53 3h1j h TYR 185 N 0.89 -0.74 -0.35 4.77 3.20 -0.89 0.51 116.97 124.36 3h1j h TYR 185 Ca 0.23 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.18 3h1j h TYR 185 Cb -0.03 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3h1j h TYR 185 CO 0.00 -0.35 0.16 0.82 -1.64 0.00 0.00 178.16 177.16 3h1j h ILE 186 N -0.26 0.96 -0.41 1.81 2.04 -0.65 -1.47 117.51 119.53 3h1j h ILE 186 Ca 0.15 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3h1j h ILE 186 Cb 0.49 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3h1j h ILE 186 CO -0.44 0.06 0.22 0.44 0.00 0.00 0.00 178.15 178.44 3h1j h ASP 187 N 0.34 0.52 -0.40 1.72 3.32 -0.50 -1.23 116.42 120.19 3h1j h ASP 187 Ca 0.15 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 3h1j h ASP 187 Cb 0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3h1j h ASP 187 CO -0.12 0.47 -0.30 0.74 -1.72 0.00 0.00 179.24 178.31 3h1j h THR 188 N 0.53 1.28 0.00 0.35 2.02 0.19 -3.41 112.91 113.87 3h1j h THR 188 Ca 0.15 -1.47 -0.44 0.00 0.77 0.00 0.00 66.41 65.42 3h1j h THR 188 Cb 0.07 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 3h1j h THR 188 CO -0.02 0.49 -2.42 1.41 0.37 0.00 0.00 175.52 175.35 3h1j n HIS 189 N -4.13 0.07 -1.24 3.16 8.25 -0.57 -4.70 115.22 116.06 3h1j n HIS 189 Ca -0.02 0.03 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 3h1j n HIS 189 Cb 0.50 -0.99 -0.07 0.00 1.12 0.00 0.00 29.99 30.55 3h1j n HIS 189 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h1j n PHE 190 N -4.27 1.71 -5.18 4.41 0.99 -0.47 -4.84 117.46 109.80 3h1j n PHE 190 Ca -0.52 -1.48 -0.31 0.00 -0.00 0.00 0.00 57.45 55.14 3h1j n PHE 190 Cb 0.86 -1.76 -0.17 0.00 -1.00 0.00 0.00 39.48 37.41 3h1j n PHE 190 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3h1j s LYS 191 N 5.72 2.92 0.04 -1.08 1.02 -1.26 -4.86 119.74 122.24 3h1j s LYS 191 Ca 0.62 -0.85 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 3h1j s LYS 191 Cb 0.11 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 3h1j s LYS 191 CO 0.16 0.19 0.43 0.00 -0.92 0.00 0.00 175.35 175.21 3h1j n ALA 192 N 3.49 -0.17 0.12 5.17 0.00 -1.26 0.10 120.51 127.95 3h1j n ALA 192 Ca -0.19 0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.54 3h1j n ALA 192 Cb 0.53 -0.03 0.36 0.00 0.00 0.00 0.00 19.45 20.31 3h1j n ALA 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h1j n PRO 193 N -4.22 0.09 0.00 0.00 -0.04 -1.24 -1.33 135.00 128.25 3h1j n PRO 193 Ca 0.01 0.57 0.07 0.00 -0.04 0.00 0.00 63.50 64.11 3h1j n PRO 193 Cb 0.07 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 31.73 3h1j n PRO 193 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1j n ARG 194 N -1.96 1.93 -4.03 0.54 1.74 0.29 -4.86 116.66 110.30 3h1j n ARG 194 Ca -0.01 -0.59 -0.22 0.00 -0.77 0.00 0.00 57.85 56.26 3h1j n ARG 194 Cb 0.03 -1.21 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 3h1j n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h1j s MET 195 N -1.86 2.94 -0.10 5.56 -1.94 -0.45 -1.21 119.30 122.24 3h1j s MET 195 Ca 0.11 -1.07 -0.03 0.00 -1.71 0.00 0.00 55.69 52.98 3h1j s MET 195 Cb 0.11 -2.58 0.05 0.00 2.01 0.00 0.00 34.83 34.42 3h1j s MET 195 CO 0.41 0.34 0.14 0.08 -0.01 0.00 0.00 175.02 175.97 3h1j s VAL 196 N -2.15 -0.21 -0.40 -6.03 1.01 -1.04 -3.51 120.40 108.07 3h1j s VAL 196 Ca 0.35 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 3h1j s VAL 196 Cb -0.08 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.96 3h1j s VAL 196 CO 0.26 0.04 0.76 -0.22 0.00 0.00 0.00 175.10 175.93 3h1j s LEU 197 N 2.25 4.21 0.15 3.92 2.96 -0.12 -0.86 118.68 131.19 3h1j s LEU 197 Ca 0.04 0.11 0.11 0.00 -0.22 0.00 0.00 54.13 54.17 3h1j s LEU 197 Cb -0.13 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 3h1j s LEU 197 CO -0.07 -0.79 -0.26 0.00 -1.32 0.00 0.00 176.35 173.92 3h1j s ALA 198 N 3.11 2.38 -0.00 5.97 0.00 -0.34 -0.23 121.76 132.65 3h1j s ALA 198 Ca 0.29 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 3h1j s ALA 198 Cb -0.13 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.66 3h1j s ALA 198 CO 0.19 0.49 0.35 0.00 0.00 0.00 0.00 175.76 176.79 3h1j s ALA 199 N -1.25 -0.86 -0.06 0.00 0.00 -0.52 -1.53 121.76 117.53 3h1j s ALA 199 Ca 0.15 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 3h1j s ALA 199 Cb -0.09 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3h1j s ALA 199 CO 0.07 -0.31 0.19 0.00 0.00 0.00 0.00 175.76 175.71 3h1j s ALA 200 N -1.60 -0.46 0.00 0.00 0.00 0.08 -1.74 121.76 118.04 3h1j s ALA 200 Ca -0.11 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3h1j s ALA 200 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3h1j s ALA 200 CO 0.03 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3h1j n GLY 201 N 2.85 0.56 3.51 0.00 0.00 -1.02 -1.62 105.19 109.47 3h1j n GLY 201 Ca -0.13 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 3h1j n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1j s GLY 202 N 0.00 2.01 -0.04 -0.02 0.00 -0.06 0.22 107.32 109.43 3h1j s GLY 202 Ca 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 44.72 41.61 3h1j s GLY 202 CO 0.00 2.32 0.12 -0.42 0.00 0.00 0.00 173.10 175.12 3h1j s ILE 203 N 2.84 -0.00 -0.07 0.90 1.01 -1.26 -4.66 121.20 119.96 3h1j s ILE 203 Ca 0.46 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.84 3h1j s ILE 203 Cb -0.01 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 3h1j s ILE 203 CO 0.01 0.00 0.89 -0.55 0.00 0.00 0.00 174.94 175.29 3h1j s SER 204 N 0.12 7.17 0.17 3.58 0.15 -1.26 -4.64 113.70 118.99 3h1j s SER 204 Ca -0.01 1.43 -0.14 0.00 0.70 0.00 0.00 55.95 57.93 3h1j s SER 204 Cb -0.01 -2.51 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 3h1j s SER 204 CO -0.00 -0.29 1.79 -0.74 1.20 0.00 0.00 173.24 175.20 3h1j h HIS 205 N 6.96 0.45 0.44 3.44 2.76 -1.98 0.15 115.15 127.37 3h1j h HIS 205 Ca -0.37 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.81 3h1j h HIS 205 Cb 1.18 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 3h1j h HIS 205 CO 0.69 0.24 -0.39 -0.22 -1.30 0.00 0.00 177.93 176.95 3h1j h LYS 206 N 0.49 -0.79 -1.21 5.26 3.64 -1.99 0.26 116.57 122.23 3h1j h LYS 206 Ca 0.19 0.05 0.35 0.00 -1.27 0.00 0.00 60.65 59.97 3h1j h LYS 206 Cb 0.07 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 3h1j h LYS 206 CO -0.12 -0.53 0.86 0.93 -2.27 0.00 0.00 179.45 178.33 3h1j h GLU 207 N -0.82 0.05 -0.08 1.90 5.08 -1.90 0.46 114.58 119.26 3h1j h GLU 207 Ca -0.06 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3h1j h GLU 207 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3h1j h GLU 207 CO -0.02 0.03 -0.19 1.25 -1.00 0.00 0.00 179.01 179.08 3h1j h LEU 208 N 0.05 0.31 -0.73 1.33 5.85 0.79 -3.03 115.31 119.89 3h1j h LEU 208 Ca 0.60 -0.58 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3h1j h LEU 208 Cb 2.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 43.19 3h1j h LEU 208 CO -0.06 0.83 -0.53 1.62 -0.34 0.00 0.00 178.44 179.97 3h1j h VAL 209 N -0.19 1.35 -0.52 1.05 3.04 0.31 -1.78 116.25 119.52 3h1j h VAL 209 Ca 0.00 -1.79 -0.02 0.00 -1.01 0.00 0.00 66.70 63.87 3h1j h VAL 209 Cb 0.78 1.85 -0.02 0.00 -2.01 0.00 0.00 31.29 31.89 3h1j h VAL 209 CO 0.04 0.54 0.23 0.44 -1.01 0.00 0.00 177.57 177.81 3h1j h ASP 210 N 0.23 0.70 -0.55 3.17 3.32 -0.88 0.16 116.42 122.57 3h1j h ASP 210 Ca 0.01 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3h1j h ASP 210 Cb 1.00 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 3h1j h ASP 210 CO 0.08 0.65 0.21 0.00 -1.72 0.00 0.00 179.24 178.47 3h1j h ALA 211 N 1.07 1.25 0.02 3.45 0.00 -1.42 -1.70 119.26 121.92 3h1j h ALA 211 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h1j h ALA 211 Cb 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h1j h ALA 211 CO -0.02 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 3h1j h ALA 212 N 1.37 -0.02 -0.88 0.00 0.00 -0.40 -2.60 119.26 116.72 3h1j h ALA 212 Ca 0.20 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3h1j h ALA 212 Cb 0.21 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 3h1j h ALA 212 CO -0.01 -0.47 0.50 0.00 0.00 0.00 0.00 179.25 179.26 3h1j h ARG 213 N -0.10 0.73 0.25 0.00 3.08 -0.21 0.23 114.38 118.35 3h1j h ARG 213 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3h1j h ARG 213 Cb 0.09 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3h1j h ARG 213 CO 0.00 0.48 -0.12 0.37 -1.07 0.00 0.00 179.97 179.64 3h1j h GLN 214 N 0.75 -0.32 0.00 0.04 4.15 -0.94 -3.36 115.11 115.43 3h1j h GLN 214 Ca 0.46 0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.63 3h1j h GLN 214 Cb 0.57 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 3h1j h GLN 214 CO -0.31 -0.06 -2.28 0.72 -1.93 0.00 0.00 178.83 174.96 3h1j n HIS 215 N -5.14 0.00 -2.05 3.99 8.25 -1.08 -4.36 115.22 114.82 3h1j n HIS 215 Ca -0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.96 3h1j n HIS 215 Cb 0.22 -0.87 -0.00 0.00 1.12 0.00 0.00 29.99 30.46 3h1j n HIS 215 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h1j n PHE 216 N -2.62 2.68 -3.95 4.41 3.01 0.79 -4.86 117.46 116.92 3h1j n PHE 216 Ca -0.25 -2.82 -0.35 0.00 1.01 0.00 0.00 57.45 55.03 3h1j n PHE 216 Cb 1.01 -1.90 -0.14 0.00 -0.01 0.00 0.00 39.48 38.44 3h1j n PHE 216 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3h1j s SER 217 N 0.58 4.20 0.08 4.37 1.04 -1.26 -4.60 113.70 118.12 3h1j s SER 217 Ca 0.51 -0.64 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 3h1j s SER 217 Cb 0.16 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.60 3h1j s SER 217 CO -0.07 -0.07 0.20 -0.83 0.98 0.00 0.00 173.24 173.45 3h1j s GLY 218 N 1.39 0.07 0.44 7.32 0.00 -1.26 -5.14 107.32 110.13 3h1j s GLY 218 Ca 0.03 -0.54 0.06 0.00 0.00 0.00 0.00 44.72 44.28 3h1j s GLY 218 CO -0.05 -0.73 0.16 0.14 0.00 0.00 0.00 173.10 172.63 3h1j s VAL 219 N -3.65 2.06 -0.16 1.40 1.01 -1.26 -4.51 120.40 115.29 3h1j s VAL 219 Ca 0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 61.98 60.22 3h1j s VAL 219 Cb 0.04 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.68 3h1j s VAL 219 CO -0.10 0.00 0.25 -0.94 0.00 0.00 0.00 175.10 174.31 3h1j s SER 220 N -3.91 0.67 -0.18 3.32 1.04 -1.26 -4.97 113.70 108.40 3h1j s SER 220 Ca 0.35 0.31 -0.16 0.00 0.48 0.00 0.00 55.95 56.94 3h1j s SER 220 Cb 0.04 0.61 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 3h1j s SER 220 CO 0.19 -0.27 -0.31 0.49 0.98 0.00 0.00 173.24 174.33 3h1j n PHE 221 N 5.34 0.19 -2.77 5.02 3.01 -1.26 -5.01 117.46 121.98 3h1j n PHE 221 Ca -0.06 0.08 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 3h1j n PHE 221 Cb 0.50 -0.61 -0.02 0.00 -0.01 0.00 0.00 39.48 39.34 3h1j n PHE 221 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3h1j s THR 222 N -2.74 4.87 0.22 4.37 -4.23 -1.26 -4.99 115.64 111.88 3h1j s THR 222 Ca -0.28 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 60.52 3h1j s THR 222 Cb 0.05 -3.80 0.18 0.00 1.34 0.00 0.00 72.50 70.27 3h1j s THR 222 CO 0.40 -0.68 1.86 0.10 -0.54 0.00 0.00 174.62 175.77 3h1j h TYR 223 N 0.75 0.94 -0.91 3.99 -0.00 -1.99 -2.90 116.97 116.85 3h1j h TYR 223 Ca -0.47 0.03 0.18 0.00 -0.00 0.00 0.00 58.73 58.47 3h1j h TYR 223 Cb 1.20 -0.31 -0.17 0.00 -0.00 0.00 0.00 36.73 37.44 3h1j h TYR 223 CO 0.59 0.53 -0.21 0.87 -0.00 0.00 0.00 178.16 179.94 3h1j h LYS 224 N 0.97 0.00 -0.88 0.10 1.79 -1.96 0.11 116.57 116.70 3h1j h LYS 224 Ca 0.32 -0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.88 3h1j h LYS 224 Cb 0.03 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 3h1j h LYS 224 CO -0.12 0.00 0.53 0.93 -1.08 0.00 0.00 179.45 179.71 3h1j h GLU 225 N 0.00 0.88 -0.27 3.15 5.08 -1.92 -0.34 114.58 121.15 3h1j h GLU 225 Ca 0.44 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3h1j h GLU 225 Cb 0.68 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h1j h GLU 225 CO -0.93 0.58 0.00 -0.25 -1.00 0.00 0.00 179.01 177.41 3h1j n ASP 226 N -4.67 0.27 -4.79 1.42 9.92 0.38 -4.82 116.55 114.25 3h1j n ASP 226 Ca 0.14 -1.94 -0.36 0.00 -0.53 0.00 0.00 54.79 52.11 3h1j n ASP 226 Cb 0.26 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.53 3h1j n ASP 226 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h1j s ALA 227 N -1.72 3.64 -0.27 2.24 0.00 -0.14 -5.01 121.76 120.50 3h1j s ALA 227 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 3h1j s ALA 227 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3h1j s ALA 227 CO 0.00 0.58 0.11 0.54 0.00 0.00 0.00 175.76 176.99 3h1j s VAL 228 N -0.89 4.56 0.60 0.00 0.11 -1.26 -5.00 120.40 118.52 3h1j s VAL 228 Ca 0.14 -0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 3h1j s VAL 228 Cb -0.12 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 3h1j s VAL 228 CO 0.03 0.26 1.18 -2.16 -3.33 0.00 0.00 175.10 171.08 3h1j s PRO 229 N 1.64 2.97 -0.24 1.54 0.04 -1.26 -5.01 135.00 134.67 3h1j s PRO 229 Ca 0.06 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 3h1j s PRO 229 Cb -0.16 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3h1j s PRO 229 CO 0.06 -1.19 0.08 0.42 0.04 0.00 0.00 177.00 176.41 3h1j s ILE 230 N -1.73 4.52 0.65 0.56 1.01 -1.26 -5.08 121.20 119.87 3h1j s ILE 230 Ca 0.75 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 61.14 3h1j s ILE 230 Cb -0.28 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 3h1j s ILE 230 CO 0.33 0.35 1.13 -0.76 0.00 0.00 0.00 174.94 175.99 3h1j s LEU 231 N 1.41 3.45 0.33 2.97 1.43 -1.26 -4.99 118.68 122.01 3h1j s LEU 231 Ca 0.06 2.09 -0.28 0.00 -1.03 0.00 0.00 54.13 54.97 3h1j s LEU 231 Cb -0.15 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.42 3h1j s LEU 231 CO 0.04 -1.65 1.12 -2.16 0.23 0.00 0.00 176.35 173.94 3h1j s PRO 232 N -3.92 4.42 0.38 1.29 0.04 -1.26 -4.97 135.00 130.98 3h1j s PRO 232 Ca 0.69 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 63.26 3h1j s PRO 232 Cb -0.22 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 3h1j s PRO 232 CO 0.39 0.01 1.30 0.50 0.04 0.00 0.00 177.00 179.24 3h1j s ARG 233 N -1.82 4.09 -0.22 4.56 3.52 -1.26 -4.99 118.95 122.82 3h1j s ARG 233 Ca 0.50 2.16 -0.12 0.00 -0.13 0.00 0.00 55.73 58.13 3h1j s ARG 233 Cb -0.31 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 3h1j s ARG 233 CO 0.39 -0.39 0.23 0.00 -0.81 0.00 0.00 175.30 174.72 3h1j s ARG 235 N 1.01 3.95 0.43 0.00 3.52 -1.26 -4.98 118.95 121.62 3h1j s ARG 235 Ca 0.11 0.71 -0.23 0.00 -0.13 0.00 0.00 55.73 56.18 3h1j s ARG 235 Cb -0.13 -3.75 -0.08 0.00 -1.56 0.00 0.00 34.95 29.42 3h1j s ARG 235 CO 0.05 -0.81 1.11 0.12 -0.81 0.00 0.00 175.30 174.96 3h1j s PHE 236 N 3.27 3.06 -0.08 5.12 5.36 -1.26 -4.51 117.98 128.95 3h1j s PHE 236 Ca 0.37 1.58 -0.03 0.00 -0.96 0.00 0.00 56.93 57.90 3h1j s PHE 236 Cb -0.13 -3.26 0.04 0.00 -0.34 0.00 0.00 43.02 39.33 3h1j s PHE 236 CO 0.15 -1.09 0.07 0.99 -1.46 0.00 0.00 175.22 173.87 3h1j s THR 237 N -1.60 -0.10 -0.43 0.12 2.01 0.67 -5.00 115.64 111.32 3h1j s THR 237 Ca 0.61 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 62.59 3h1j s THR 237 Cb -0.26 -0.28 -0.06 0.00 0.01 0.00 0.00 72.50 71.91 3h1j s THR 237 CO 0.31 0.05 2.35 -0.83 -0.69 0.00 0.00 174.62 175.81 3h1j s GLY 238 N 2.16 -0.20 0.36 4.40 0.00 -1.26 -4.55 107.32 108.23 3h1j s GLY 238 Ca 0.04 0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.86 3h1j s GLY 238 CO -0.05 4.04 0.61 -1.14 0.00 0.00 0.00 173.10 176.57 3h1j n SER 239 N 14.84 -1.75 -3.77 1.64 3.41 -0.90 -4.92 113.62 122.17 3h1j n SER 239 Ca 0.35 -2.68 -0.13 0.00 -0.26 0.00 0.00 58.87 56.14 3h1j n SER 239 Cb 0.52 3.05 -0.09 0.00 -0.26 0.00 0.00 64.21 67.44 3h1j n SER 239 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3h1j s GLU 240 N -2.44 0.60 -0.10 4.33 -1.05 -1.26 -0.09 118.70 118.69 3h1j s GLU 240 Ca 0.22 -0.07 -0.01 0.00 -0.15 0.00 0.00 54.97 54.96 3h1j s GLU 240 Cb -0.03 0.27 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 3h1j s GLU 240 CO 0.16 -0.15 -0.05 -1.50 0.95 0.00 0.00 175.26 174.66 3h1j s ILE 241 N -1.02 0.84 -0.37 1.83 2.07 -0.14 -4.95 121.20 119.47 3h1j s ILE 241 Ca -0.11 -0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 58.93 3h1j s ILE 241 Cb -0.05 -0.90 0.08 0.00 0.13 0.00 0.00 42.46 41.73 3h1j s ILE 241 CO 0.03 0.34 0.14 -0.13 -1.91 0.00 0.00 174.94 173.40 3h1j s ARG 242 N 1.76 2.24 -0.56 3.50 0.52 -1.26 -2.10 118.95 123.06 3h1j s ARG 242 Ca 0.05 -1.56 -0.17 0.00 -0.52 0.00 0.00 55.73 53.53 3h1j s ARG 242 Cb -0.12 -3.46 0.12 0.00 0.52 0.00 0.00 34.95 32.00 3h1j s ARG 242 CO -0.07 -0.88 0.59 0.00 0.02 0.00 0.00 175.30 174.95 3h1j s ALA 243 N 1.22 3.54 -0.18 2.13 0.00 0.01 -5.00 121.76 123.49 3h1j s ALA 243 Ca 0.03 -2.38 -0.09 0.00 0.00 0.00 0.00 51.96 49.52 3h1j s ALA 243 Cb -0.21 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3h1j s ALA 243 CO -0.02 -2.15 0.14 0.50 0.00 0.00 0.00 175.76 174.22 3h1j s ARG 244 N 2.09 3.99 -0.35 0.00 3.52 -1.26 -1.96 118.95 124.99 3h1j s ARG 244 Ca 0.07 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 3h1j s ARG 244 Cb -0.27 -3.36 0.15 0.00 -1.56 0.00 0.00 34.95 29.91 3h1j s ARG 244 CO 0.05 0.43 0.37 0.34 -0.81 0.00 0.00 175.30 175.67 3h1j s ASP 245 N -0.01 1.09 0.00 -2.12 2.15 0.12 -4.88 116.67 113.02 3h1j s ASP 245 Ca 0.10 -1.23 0.02 0.00 0.43 0.00 0.00 52.55 51.87 3h1j s ASP 245 Cb -0.11 0.66 0.12 0.00 -0.30 0.00 0.00 42.92 43.29 3h1j s ASP 245 CO -0.00 -0.30 0.45 0.47 -0.17 0.00 0.00 175.17 175.62 3h1j n ASP 246 N 4.61 0.00 0.04 -0.34 8.00 -1.26 -2.04 116.55 125.57 3h1j n ASP 246 Ca 0.07 -0.14 0.11 0.00 0.71 0.00 0.00 54.79 55.54 3h1j n ASP 246 Cb 0.46 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 3h1j n ASP 246 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1j n ALA 247 N -0.80 3.12 -1.82 2.24 0.00 -1.26 -4.79 120.51 117.20 3h1j n ALA 247 Ca 0.01 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 3h1j n ALA 247 Cb 0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 3h1j n ALA 247 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1j s LEU 248 N -4.28 4.61 0.12 0.00 1.43 -0.86 -4.98 118.68 114.72 3h1j s LEU 248 Ca 0.02 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 3h1j s LEU 248 Cb 0.13 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 3h1j s LEU 248 CO 0.79 0.16 1.58 1.55 0.23 0.00 0.00 176.35 180.66 3h1j h PRO 249 N 4.12 -0.55 0.00 1.29 0.13 -1.91 -3.40 132.00 131.69 3h1j h PRO 249 Ca -0.46 0.04 -0.43 0.00 -0.87 0.00 0.00 66.00 64.28 3h1j h PRO 249 Cb 1.20 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 3h1j h PRO 249 CO 0.67 -0.36 -0.21 1.33 -0.23 0.00 0.00 178.00 179.20 3h1j n VAL 250 N -5.45 0.00 -4.26 1.56 0.24 -1.26 -4.58 118.33 104.58 3h1j n VAL 250 Ca -0.06 -1.63 -0.19 0.00 -2.04 0.00 0.00 64.34 60.43 3h1j n VAL 250 Cb 0.37 -0.12 -0.13 0.00 -1.47 0.00 0.00 33.84 32.49 3h1j n VAL 250 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h1j s ALA 251 N -2.59 1.11 0.01 2.33 0.00 0.40 -4.25 121.76 118.77 3h1j s ALA 251 Ca 0.22 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.36 3h1j s ALA 251 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3h1j s ALA 251 CO 0.14 0.18 -0.14 -1.01 0.00 0.00 0.00 175.76 174.93 3h1j s HIS 252 N -1.02 2.69 -0.07 0.00 3.76 -0.59 -1.14 115.29 118.92 3h1j s HIS 252 Ca -0.01 -0.17 -0.04 0.00 -0.15 0.00 0.00 55.06 54.70 3h1j s HIS 252 Cb -0.09 -1.54 0.04 0.00 1.11 0.00 0.00 32.58 32.10 3h1j s HIS 252 CO 0.02 0.28 0.17 0.08 -0.85 0.00 0.00 174.74 174.43 3h1j s VAL 253 N -0.91 -0.04 -0.02 -0.90 1.01 -0.48 -1.15 120.40 117.92 3h1j s VAL 253 Ca 0.15 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.30 3h1j s VAL 253 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3h1j s VAL 253 CO 0.05 0.06 -0.06 0.00 0.00 0.00 0.00 175.10 175.16 3h1j s ALA 254 N 1.05 0.57 0.00 5.51 0.00 -0.43 -0.59 121.76 127.87 3h1j s ALA 254 Ca -0.08 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3h1j s ALA 254 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3h1j s ALA 254 CO -0.06 0.09 -0.08 -1.17 0.00 0.00 0.00 175.76 174.54 3h1j s LEU 255 N 0.20 2.05 0.23 0.00 2.96 -0.46 -1.41 118.68 122.26 3h1j s LEU 255 Ca -0.02 -0.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 3h1j s LEU 255 Cb -0.06 -0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.29 3h1j s LEU 255 CO -0.00 0.05 0.61 0.00 -1.32 0.00 0.00 176.35 175.69 3h1j s ALA 256 N -0.36 -1.07 0.18 5.97 0.00 -0.51 -0.98 121.76 124.99 3h1j s ALA 256 Ca 0.01 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.83 3h1j s ALA 256 Cb -0.04 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 3h1j s ALA 256 CO -0.00 -0.90 -0.18 0.14 0.00 0.00 0.00 175.76 174.82 3h1j s VAL 257 N -3.89 1.86 0.21 0.00 -7.23 0.12 -0.61 120.40 110.87 3h1j s VAL 257 Ca 0.10 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.96 3h1j s VAL 257 Cb -0.03 -1.91 -0.11 0.00 0.56 0.00 0.00 36.38 34.89 3h1j s VAL 257 CO 0.01 -0.36 1.64 -0.70 -0.31 0.00 0.00 175.10 175.39 3h1j s GLU 258 N -2.97 4.16 0.39 4.82 2.12 -1.26 -0.69 118.70 125.27 3h1j s GLU 258 Ca 0.18 2.52 0.03 0.00 0.36 0.00 0.00 54.97 58.06 3h1j s GLU 258 Cb -0.05 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 3h1j s GLU 258 CO 0.07 -0.67 0.57 0.20 -0.54 0.00 0.00 175.26 174.89 3h1j s GLY 259 N 1.00 1.55 0.01 -1.50 0.00 0.16 -4.72 107.32 103.82 3h1j s GLY 259 Ca 0.71 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 3h1j s GLY 259 CO 0.35 -1.09 0.90 -0.56 0.00 0.00 0.00 173.10 172.71 3h1j h PRO 260 N 0.64 -0.42 0.00 2.90 0.13 -1.87 -2.83 132.00 130.55 3h1j h PRO 260 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3h1j h PRO 260 Cb 1.25 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3h1j h PRO 260 CO 0.56 -0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.46 3h1j n GLY 261 N -0.41 4.77 0.14 1.56 0.00 -1.09 -3.23 105.19 106.92 3h1j n GLY 261 Ca -0.05 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 3h1j n GLY 261 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h1j n TRP 262 N -1.96 -0.15 -0.32 1.61 7.02 0.43 -0.92 117.44 123.15 3h1j n TRP 262 Ca 0.00 0.42 0.15 0.00 -1.02 0.00 0.00 57.50 57.06 3h1j n TRP 262 Cb 0.00 -0.53 0.34 0.00 -2.42 0.00 0.00 31.31 28.71 3h1j n TRP 262 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h1j h ALA 263 N 0.17 1.57 -2.32 6.99 0.00 -1.84 -3.43 119.26 120.40 3h1j h ALA 263 Ca 0.05 0.16 -0.54 0.00 0.00 0.00 0.00 54.91 54.59 3h1j h ALA 263 Cb 0.14 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h1j h ALA 263 CO -0.32 -0.35 1.18 0.34 0.00 0.00 0.00 179.25 180.10 3h1j s ASP 264 N -5.15 6.53 0.56 0.00 -1.08 -0.10 -4.93 116.67 112.50 3h1j s ASP 264 Ca -0.11 2.51 0.26 0.00 -0.52 0.00 0.00 52.55 54.68 3h1j s ASP 264 Cb 0.26 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.71 3h1j s ASP 264 CO 0.78 -1.01 2.07 -0.65 0.52 0.00 0.00 175.17 176.89 3h1j h PRO 265 N 10.21 0.00 -0.50 4.34 0.11 -1.88 -2.19 132.00 142.08 3h1j h PRO 265 Ca -0.46 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.75 3h1j h PRO 265 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3h1j h PRO 265 CO 0.95 0.00 0.34 -0.44 -0.21 0.00 0.00 178.00 178.64 3h1j h ASP 266 N 0.00 0.26 -1.04 -2.05 3.32 -1.96 -1.51 116.42 113.44 3h1j h ASP 266 Ca 0.12 0.00 0.30 0.00 0.02 0.00 0.00 57.03 57.48 3h1j h ASP 266 Cb 0.59 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 39.96 3h1j h ASP 266 CO -0.00 0.16 0.63 0.78 -1.72 0.00 0.00 179.24 179.08 3h1j h ASN 267 N 0.29 0.53 0.17 6.45 2.35 -1.75 0.69 115.58 124.31 3h1j h ASN 267 Ca 0.23 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 56.14 3h1j h ASN 267 Cb 0.54 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 3h1j h ASN 267 CO -0.05 -0.01 -0.27 0.58 -1.65 0.00 0.00 177.43 176.03 3h1j h VAL 268 N 0.40 0.42 -0.91 2.81 2.07 -1.50 0.73 116.25 120.28 3h1j h VAL 268 Ca 0.68 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.23 3h1j h VAL 268 Cb 1.58 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3h1j h VAL 268 CO -0.48 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.28 3h1j h VAL 269 N -0.51 1.17 -1.01 2.57 2.07 -0.00 -1.41 116.25 119.13 3h1j h VAL 269 Ca 0.02 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3h1j h VAL 269 Cb 0.51 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3h1j h VAL 269 CO -0.12 0.21 0.67 -0.07 0.02 0.00 0.00 177.57 178.28 3h1j h LEU 270 N 1.16 1.14 -0.45 2.57 3.38 0.73 -1.12 115.31 122.72 3h1j h LEU 270 Ca 0.35 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 3h1j h LEU 270 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3h1j h LEU 270 CO -0.11 0.81 -0.14 0.45 0.09 0.00 0.00 178.44 179.55 3h1j h HIS 271 N 1.34 1.00 -0.58 1.13 3.86 -0.10 0.12 115.15 121.92 3h1j h HIS 271 Ca 0.38 -0.22 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 3h1j h HIS 271 Cb -0.11 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.09 3h1j h HIS 271 CO -0.00 1.00 0.38 0.28 0.86 0.00 0.00 177.93 180.45 3h1j h VAL 272 N 0.72 1.08 0.08 2.45 2.07 -0.73 0.76 116.25 122.69 3h1j h VAL 272 Ca 0.11 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3h1j h VAL 272 Cb 0.69 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3h1j h VAL 272 CO 0.05 0.12 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 3h1j h ALA 273 N 1.66 -0.11 0.00 1.67 0.00 -0.76 -2.60 119.26 119.12 3h1j h ALA 273 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h1j h ALA 273 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h1j h ALA 273 CO -0.06 -0.29 0.04 -0.91 0.00 0.00 0.00 179.25 178.02 3h1j h ASN 274 N -0.66 0.00 1.27 0.00 -0.26 -0.45 0.26 115.58 115.74 3h1j h ASN 274 Ca -0.01 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 3h1j h ASN 274 Cb 0.53 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 3h1j h ASN 274 CO 0.02 0.00 -0.52 0.00 -1.06 0.00 0.00 177.43 175.87 3h1j h ALA 275 N 1.91 0.73 0.34 -0.83 0.00 -0.47 -0.97 119.26 119.97 3h1j h ALA 275 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3h1j h ALA 275 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h1j h ALA 275 CO 0.00 0.65 -0.16 0.82 0.00 0.00 0.00 179.25 180.55 3h1j h ILE 276 N 0.00 0.03 0.00 0.00 2.04 -0.33 -3.24 117.51 116.02 3h1j h ILE 276 Ca -0.01 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3h1j h ILE 276 Cb 1.29 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3h1j h ILE 276 CO 0.07 0.01 -0.09 0.40 0.00 0.00 0.00 178.15 178.54 3h1j h ILE 277 N -1.12 0.54 0.00 -0.67 2.04 -1.64 -3.41 117.51 113.26 3h1j h ILE 277 Ca -0.05 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3h1j h ILE 277 Cb 0.36 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3h1j h ILE 277 CO 0.08 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.92 3h1j n GLY 278 N -0.84 1.58 3.27 5.37 0.00 -0.37 -4.67 105.19 109.53 3h1j n GLY 278 Ca -0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3h1j n GLY 278 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1j s ARG 279 N 0.00 0.98 0.15 1.61 1.70 -1.26 -2.93 118.95 119.19 3h1j s ARG 279 Ca 0.00 -0.82 -0.06 0.00 -0.47 0.00 0.00 55.73 54.38 3h1j s ARG 279 Cb 0.00 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 3h1j s ARG 279 CO 0.00 -0.36 0.18 -0.47 -1.08 0.00 0.00 175.30 173.58 3h1j s TYR 280 N -3.83 0.58 -0.24 5.89 5.04 0.39 -4.97 117.35 120.21 3h1j s TYR 280 Ca 0.04 -0.95 -0.26 0.00 -2.44 0.00 0.00 57.07 53.45 3h1j s TYR 280 Cb 0.03 -0.23 0.12 0.00 0.35 0.00 0.00 41.96 42.22 3h1j s TYR 280 CO -0.11 -0.63 0.98 0.34 -1.34 0.00 0.00 175.55 174.78 3h1j s ASP 281 N -3.00 -0.47 0.00 4.32 2.15 -1.26 -1.68 116.67 116.73 3h1j s ASP 281 Ca 0.20 0.81 0.00 0.00 0.43 0.00 0.00 52.55 53.98 3h1j s ASP 281 Cb 0.05 0.78 0.00 0.00 -0.30 0.00 0.00 42.92 43.46 3h1j s ASP 281 CO 0.00 -0.23 0.27 0.54 -0.17 0.00 0.00 175.17 175.58 3h1j n ARG 282 N 1.85 0.00 -0.07 4.34 5.12 -0.86 -0.59 116.66 126.45 3h1j n ARG 282 Ca -0.12 0.03 0.10 0.00 -1.93 0.00 0.00 57.85 55.93 3h1j n ARG 282 Cb 0.56 -1.57 0.14 0.00 -1.16 0.00 0.00 32.46 30.43 3h1j n ARG 282 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3h1j n THR 283 N -0.77 1.87 -2.70 0.55 -2.24 -1.26 -4.95 114.28 104.77 3h1j n THR 283 Ca 0.00 -2.23 -0.42 0.00 -2.27 0.00 0.00 64.05 59.13 3h1j n THR 283 Cb 0.07 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 3h1j n THR 283 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3h1j s PHE 284 N -2.82 2.60 0.34 4.78 0.40 0.24 -4.90 117.98 118.62 3h1j s PHE 284 Ca 0.31 0.01 0.13 0.00 -0.60 0.00 0.00 56.93 56.78 3h1j s PHE 284 Cb 0.27 -4.37 1.07 0.00 0.51 0.00 0.00 43.02 40.50 3h1j s PHE 284 CO 0.03 -1.64 1.64 0.78 0.70 0.00 0.00 175.22 176.73 3h1j h GLY 285 N 11.80 1.98 -0.78 4.36 0.00 -1.92 -2.49 103.07 116.02 3h1j h GLY 285 Ca -0.27 -0.18 0.16 0.00 0.00 0.00 0.00 47.33 47.05 3h1j h GLY 285 CO 1.18 -0.53 -0.18 0.61 0.00 0.00 0.00 176.54 177.61 3h1j n GLY 286 N -1.31 -1.29 7.00 4.60 0.00 -1.26 -4.87 105.19 108.06 3h1j n GLY 286 Ca 0.31 0.83 0.00 0.00 0.00 0.00 0.00 46.02 47.16 3h1j n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1j n GLY 287 N -1.48 -0.00 0.27 -0.02 0.00 -0.94 -3.45 105.19 99.56 3h1j n GLY 287 Ca 0.13 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.18 3h1j n GLY 287 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h1j h LYS 288 N 0.00 0.00 -0.01 1.61 2.10 -1.90 0.43 116.57 118.80 3h1j h LYS 288 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h1j h LYS 288 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3h1j h LYS 288 CO 0.00 0.00 -0.30 0.72 -2.00 0.00 0.00 179.45 177.87 3h1j n HIS 289 N -2.32 0.00 -1.51 0.07 8.25 -1.22 -4.85 115.22 113.64 3h1j n HIS 289 Ca -0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 3h1j n HIS 289 Cb 0.74 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.77 3h1j n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1j n LEU 290 N -0.30 0.66 0.01 2.41 4.77 0.15 -4.88 117.00 119.83 3h1j n LEU 290 Ca 0.12 1.11 -0.04 0.00 -0.03 0.00 0.00 56.01 57.17 3h1j n LEU 290 Cb 0.40 -1.17 0.19 0.00 -2.33 0.00 0.00 43.42 40.51 3h1j n LEU 290 CO 0.26 -2.11 0.72 0.28 -1.33 0.00 0.00 177.39 175.20 3h1j h SER 291 N 1.48 0.49 -2.90 -1.43 0.02 -1.92 -3.41 113.55 105.88 3h1j h SER 291 Ca -0.37 -0.17 -0.57 0.00 -0.84 0.00 0.00 61.79 59.84 3h1j h SER 291 Cb 1.38 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 3h1j h SER 291 CO 0.58 0.75 1.13 -0.55 -1.14 0.00 0.00 176.83 177.60 3h1j s SER 292 N -6.81 6.29 0.23 3.07 0.15 -1.26 -4.88 113.70 110.48 3h1j s SER 292 Ca -0.07 1.32 -0.10 0.00 0.70 0.00 0.00 55.95 57.81 3h1j s SER 292 Cb 0.14 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.27 3h1j s SER 292 CO 0.79 -1.38 1.63 0.03 1.20 0.00 0.00 173.24 175.51 3h1j h ARG 293 N 11.07 0.05 -0.35 5.44 3.08 -1.85 0.52 114.38 132.34 3h1j h ARG 293 Ca -0.31 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.78 3h1j h ARG 293 Cb 1.14 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 3h1j h ARG 293 CO 1.03 0.04 0.08 1.25 -1.07 0.00 0.00 179.97 181.29 3h1j h LEU 294 N 0.06 0.03 0.10 3.04 5.85 -1.90 0.97 115.31 123.46 3h1j h LEU 294 Ca 0.37 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.17 3h1j h LEU 294 Cb 0.61 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3h1j h LEU 294 CO -0.68 0.05 -0.30 0.00 -0.34 0.00 0.00 178.44 177.18 3h1j h ALA 295 N 1.26 -0.50 -0.49 1.25 0.00 -0.50 0.61 119.26 120.89 3h1j h ALA 295 Ca 0.17 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3h1j h ALA 295 Cb 0.19 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3h1j h ALA 295 CO -0.21 -0.84 0.17 0.00 0.00 0.00 0.00 179.25 178.37 3h1j h ALA 296 N 0.18 0.59 -0.36 0.00 0.00 0.74 0.17 119.26 120.58 3h1j h ALA 296 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h1j h ALA 296 Cb 0.55 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3h1j h ALA 296 CO -0.19 -0.23 0.19 -0.07 0.00 0.00 0.00 179.25 178.95 3h1j h LEU 297 N 0.34 0.45 -0.63 0.00 3.38 0.15 0.68 115.31 119.68 3h1j h LEU 297 Ca 0.24 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.20 3h1j h LEU 297 Cb 0.25 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3h1j h LEU 297 CO -0.25 0.43 0.23 0.00 0.09 0.00 0.00 178.44 178.94 3h1j h ALA 298 N 1.05 0.81 -0.13 1.53 0.00 0.13 0.14 119.26 122.79 3h1j h ALA 298 Ca 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3h1j h ALA 298 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h1j h ALA 298 CO -0.02 -0.20 0.02 0.28 0.00 0.00 0.00 179.25 179.34 3h1j h VAL 299 N 0.41 1.22 -0.25 0.00 2.07 -0.22 0.11 116.25 119.59 3h1j h VAL 299 Ca 0.32 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3h1j h VAL 299 Cb 0.41 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3h1j h VAL 299 CO -0.32 0.20 0.16 -0.08 0.02 0.00 0.00 177.57 177.55 3h1j h GLU 300 N -0.01 0.33 -0.71 1.57 4.81 -0.32 -3.18 114.58 117.07 3h1j h GLU 300 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3h1j h GLU 300 Cb 0.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3h1j h GLU 300 CO 0.00 0.23 0.00 0.72 -0.73 0.00 0.00 179.01 179.24 3h1j n HIS 301 N -4.90 1.23 -3.78 0.92 8.25 0.45 -4.96 115.22 112.43 3h1j n HIS 301 Ca -0.02 -0.55 -0.34 0.00 -0.26 0.00 0.00 57.72 56.55 3h1j n HIS 301 Cb 0.03 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.07 3h1j n HIS 301 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h1j n LYS 302 N 1.45 -1.20 0.10 -0.41 4.01 0.23 -4.88 118.16 117.46 3h1j n LYS 302 Ca 0.25 0.38 0.08 0.00 -0.51 0.00 0.00 58.31 58.52 3h1j n LYS 302 Cb 0.75 -3.85 -0.00 0.00 -0.51 0.00 0.00 35.03 31.42 3h1j n LYS 302 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 3h1j h LEU 303 N -2.03 0.00 -7.00 -0.35 3.38 -1.38 -3.48 115.31 104.44 3h1j h LEU 303 Ca -0.67 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.44 3h1j h LEU 303 Cb 1.37 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.90 3h1j h LEU 303 CO 0.50 0.16 0.64 0.00 0.09 0.00 0.00 178.44 179.84 3h1j n HIS 305 N 0.40 0.87 0.00 0.00 8.25 -0.06 -4.72 115.22 119.96 3h1j n HIS 305 Ca -0.07 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3h1j n HIS 305 Cb 0.59 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.71 3h1j n HIS 305 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3h1j n SER 306 N -2.25 0.00 -3.68 0.41 3.41 -1.21 -2.03 113.62 108.27 3h1j n SER 306 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 3h1j n SER 306 Cb 0.32 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 3h1j n SER 306 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3h1j s PHE 307 N -2.00 -0.14 -0.23 7.33 -0.12 -0.68 -0.57 117.98 121.58 3h1j s PHE 307 Ca 0.00 -0.16 -0.26 0.00 -0.05 0.00 0.00 56.93 56.46 3h1j s PHE 307 Cb 0.00 0.19 0.07 0.00 -0.63 0.00 0.00 43.02 42.65 3h1j s PHE 307 CO 0.00 -0.65 0.72 1.14 -0.05 0.00 0.00 175.22 176.38 3h1j s GLN 308 N -3.64 0.88 0.40 1.99 -2.07 0.69 -0.46 119.66 117.45 3h1j s GLN 308 Ca 0.02 0.85 0.01 0.00 -1.82 0.00 0.00 55.36 54.42 3h1j s GLN 308 Cb 0.02 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 3h1j s GLN 308 CO -0.11 -0.14 0.60 0.95 -1.32 0.00 0.00 175.29 175.27 3h1j s THR 309 N 0.08 4.49 -0.07 3.63 -4.23 -1.15 -0.63 115.64 117.77 3h1j s THR 309 Ca -0.02 -0.52 -0.28 0.00 -1.18 0.00 0.00 61.69 59.69 3h1j s THR 309 Cb -0.04 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.22 3h1j s THR 309 CO 0.03 -0.42 0.64 0.72 -0.54 0.00 0.00 174.62 175.04 3h1j s PHE 310 N -2.42 -0.61 -0.49 3.99 -0.71 -0.63 -4.93 117.98 112.17 3h1j s PHE 310 Ca 0.44 1.10 0.07 0.00 -1.04 0.00 0.00 56.93 57.50 3h1j s PHE 310 Cb -0.10 0.36 0.24 0.00 -1.21 0.00 0.00 43.02 42.31 3h1j s PHE 310 CO 0.37 -0.56 0.58 -1.71 -1.34 0.00 0.00 175.22 172.56 3h1j n ASN 311 N 1.13 1.47 -4.58 1.98 5.15 -1.26 -0.77 115.26 118.38 3h1j n ASN 311 Ca -0.19 -2.95 -0.41 0.00 -0.60 0.00 0.00 54.58 50.44 3h1j n ASN 311 Cb 0.57 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.14 3h1j n ASN 311 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3h1j s THR 312 N -1.55 3.46 0.47 -0.44 2.01 0.56 -4.88 115.64 115.28 3h1j s THR 312 Ca 0.36 0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 3h1j s THR 312 Cb 0.14 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 3h1j s THR 312 CO -0.09 -0.67 0.87 -0.44 -0.69 0.00 0.00 174.62 173.60 3h1j s SER 313 N 6.82 6.48 0.31 3.53 0.01 -1.26 -0.30 113.70 129.28 3h1j s SER 313 Ca 0.72 1.27 0.01 0.00 1.31 0.00 0.00 55.95 59.25 3h1j s SER 313 Cb -0.17 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3h1j s SER 313 CO 0.28 -0.54 0.36 -0.31 0.41 0.00 0.00 173.24 173.43 3h1j s TYR 314 N -2.60 1.28 0.07 2.43 4.12 -1.05 -4.89 117.35 116.71 3h1j s TYR 314 Ca 0.53 -1.40 -0.31 0.00 0.02 0.00 0.00 57.07 55.91 3h1j s TYR 314 Cb -0.10 -0.36 -0.15 0.00 -1.52 0.00 0.00 41.96 39.83 3h1j s TYR 314 CO 0.36 -0.96 1.48 0.66 0.02 0.00 0.00 175.55 177.11 3h1j h SER 315 N 2.20 -1.15 0.00 2.29 4.64 -1.94 0.12 113.55 119.71 3h1j h SER 315 Ca -0.28 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3h1j h SER 315 Cb 1.24 0.37 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3h1j h SER 315 CO 0.40 -0.60 -1.75 -0.90 -0.87 0.00 0.00 176.83 173.12 3h1j n ASP 316 N -5.06 1.32 0.00 4.97 5.75 -1.26 -4.12 116.55 118.15 3h1j n ASP 316 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 3h1j n ASP 316 Cb 0.41 1.70 0.00 0.00 -1.03 0.00 0.00 41.12 42.20 3h1j n ASP 316 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3h1j n THR 317 N -2.08 0.00 0.00 2.12 5.66 -1.20 -4.61 114.28 114.17 3h1j n THR 317 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 3h1j n THR 317 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 3h1j n THR 317 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h1j n GLY 318 N 2.39 2.12 2.90 1.09 0.00 -1.07 -2.53 105.19 110.09 3h1j n GLY 318 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 3h1j n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1j s LEU 319 N 0.00 1.52 -0.26 0.99 1.43 0.59 0.39 118.68 123.33 3h1j s LEU 319 Ca 0.00 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 3h1j s LEU 319 Cb 0.00 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.33 3h1j s LEU 319 CO 0.00 -0.17 0.00 0.12 0.23 0.00 0.00 176.35 176.53 3h1j s PHE 320 N 1.65 3.09 0.00 0.29 5.36 0.13 -0.32 117.98 128.18 3h1j s PHE 320 Ca 0.02 -1.22 0.00 0.00 -0.96 0.00 0.00 56.93 54.76 3h1j s PHE 320 Cb -0.15 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 3h1j s PHE 320 CO -0.08 -0.64 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 3h1j n GLY 321 N 4.77 2.75 3.45 13.12 0.00 0.05 0.15 105.19 129.47 3h1j n GLY 321 Ca -0.16 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3h1j n GLY 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1j s PHE 322 N -0.24 -0.54 0.01 1.61 -0.12 -0.16 -1.61 117.98 116.93 3h1j s PHE 322 Ca 0.00 0.47 0.02 0.00 -0.05 0.00 0.00 56.93 57.37 3h1j s PHE 322 Cb 0.00 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3h1j s PHE 322 CO 0.00 -0.77 -0.06 -1.58 -0.05 0.00 0.00 175.22 172.76 3h1j s HIS 323 N -3.17 0.53 -0.02 3.49 2.46 0.20 -1.35 115.29 117.43 3h1j s HIS 323 Ca -0.01 -0.18 -0.08 0.00 0.47 0.00 0.00 55.06 55.26 3h1j s HIS 323 Cb -0.01 -0.33 0.01 0.00 -0.13 0.00 0.00 32.58 32.12 3h1j s HIS 323 CO -0.08 -0.02 0.18 -0.59 -2.47 0.00 0.00 174.74 171.75 3h1j s PHE 324 N -0.40 -0.05 -0.13 3.88 -0.12 0.24 -0.22 117.98 121.18 3h1j s PHE 324 Ca -0.01 0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.93 3h1j s PHE 324 Cb -0.04 -0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 3h1j s PHE 324 CO -0.00 -0.27 -0.10 0.08 -0.05 0.00 0.00 175.22 174.89 3h1j s VAL 325 N -1.07 3.35 0.28 -2.49 1.01 0.27 -1.38 120.40 120.37 3h1j s VAL 325 Ca -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3h1j s VAL 325 Cb -0.06 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3h1j s VAL 325 CO 0.02 0.52 0.33 0.00 0.00 0.00 0.00 175.10 175.97 3h1j s ALA 326 N 0.27 0.91 0.36 5.51 0.00 -0.29 -0.88 121.76 127.64 3h1j s ALA 326 Ca -0.07 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.21 3h1j s ALA 326 Cb -0.15 1.27 -0.07 0.00 0.00 0.00 0.00 23.12 24.17 3h1j s ALA 326 CO 0.05 -0.72 0.74 -0.51 0.00 0.00 0.00 175.76 175.31 3h1j s ASP 327 N -3.20 6.60 0.39 0.00 1.01 -1.26 -0.45 116.67 119.77 3h1j s ASP 327 Ca 0.34 1.15 0.22 0.00 0.71 0.00 0.00 52.55 54.96 3h1j s ASP 327 Cb 0.02 -2.32 1.22 0.00 1.01 0.00 0.00 42.92 42.85 3h1j s ASP 327 CO 0.17 -0.31 1.68 1.55 0.21 0.00 0.00 175.17 178.46 3h1j h PRO 328 N 1.66 0.24 -0.44 8.23 0.13 -1.81 -1.92 132.00 138.09 3h1j h PRO 328 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3h1j h PRO 328 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3h1j h PRO 328 CO 0.65 0.16 0.00 1.28 -0.23 0.00 0.00 178.00 179.86 3h1j n LEU 329 N -4.80 2.32 -0.21 1.56 4.77 -1.26 -3.89 117.00 115.48 3h1j n LEU 329 Ca 0.32 -1.16 0.02 0.00 -0.03 0.00 0.00 56.01 55.16 3h1j n LEU 329 Cb 1.13 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.95 3h1j n LEU 329 CO 0.18 0.55 0.34 -1.54 -1.33 0.00 0.00 177.39 175.59 3h1j n SER 330 N 0.69 0.69 -0.13 -1.43 3.41 -0.72 -4.81 113.62 111.33 3h1j n SER 330 Ca 0.14 -1.92 -0.10 0.00 -0.26 0.00 0.00 58.87 56.74 3h1j n SER 330 Cb 0.38 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 3h1j n SER 330 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h1j h ILE 331 N 3.67 1.22 0.23 -1.33 2.04 -1.66 -2.51 117.51 119.17 3h1j h ILE 331 Ca 0.00 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3h1j h ILE 331 Cb 1.10 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3h1j h ILE 331 CO 0.00 0.26 -0.11 -0.78 0.00 0.00 0.00 178.15 177.52 3h1j h ASP 332 N 0.46 -0.26 -0.86 1.72 3.58 -1.87 0.40 116.42 119.59 3h1j h ASP 332 Ca 0.12 -0.15 0.15 0.00 0.42 0.00 0.00 57.03 57.56 3h1j h ASP 332 Cb 0.29 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.32 3h1j h ASP 332 CO -0.00 0.01 0.45 0.44 -2.88 0.00 0.00 179.24 177.25 3h1j h ASP 333 N -0.54 0.55 0.20 2.28 3.32 -1.90 0.24 116.42 120.56 3h1j h ASP 333 Ca -0.03 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3h1j h ASP 333 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3h1j h ASP 333 CO 0.05 0.23 -0.10 -0.03 -1.72 0.00 0.00 179.24 177.68 3h1j h MET 334 N 0.64 -0.26 -0.37 3.56 4.05 -1.29 -0.40 114.93 120.86 3h1j h MET 334 Ca 0.47 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.96 3h1j h MET 334 Cb 0.66 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.47 3h1j h MET 334 CO -0.36 0.00 0.09 1.98 0.23 0.00 0.00 176.91 178.85 3h1j h MET 335 N -0.51 0.21 0.06 0.39 1.85 -0.38 0.20 114.93 116.76 3h1j h MET 335 Ca -0.03 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.06 3h1j h MET 335 Cb 0.38 -0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.32 3h1j h MET 335 CO 0.04 0.14 -0.50 0.35 -0.40 0.00 0.00 176.91 176.54 3h1j h PHE 336 N 0.22 -1.47 -0.87 1.39 3.57 -0.45 -0.45 116.94 118.89 3h1j h PHE 336 Ca 0.17 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.79 3h1j h PHE 336 Cb 0.19 0.63 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3h1j h PHE 336 CO -0.18 -0.56 0.56 0.00 -2.23 0.00 0.00 178.31 175.91 3h1j h ALA 338 N 1.54 -0.52 -0.45 0.00 0.00 -0.02 -1.09 119.26 118.73 3h1j h ALA 338 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h1j h ALA 338 Cb 0.29 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3h1j h ALA 338 CO -0.15 -0.74 0.30 1.96 0.00 0.00 0.00 179.25 180.61 3h1j h GLN 339 N -0.62 0.59 -0.18 0.00 4.20 -0.77 -1.02 115.11 117.31 3h1j h GLN 339 Ca -0.05 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.68 3h1j h GLN 339 Cb 0.46 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 3h1j h GLN 339 CO 0.09 0.39 -0.25 0.78 -0.67 0.00 0.00 178.83 179.17 3h1j h GLY 340 N 0.61 -0.23 1.59 3.46 0.00 -0.19 0.16 103.07 108.47 3h1j h GLY 340 Ca 0.16 0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 3h1j h GLY 340 CO -0.04 -0.20 0.01 0.83 0.00 0.00 0.00 176.54 177.15 3h1j h GLU 341 N -0.29 0.51 0.26 4.80 4.39 0.04 0.07 114.58 124.36 3h1j h GLU 341 Ca 0.12 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3h1j h GLU 341 Cb 0.47 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3h1j h GLU 341 CO -0.35 0.53 -0.13 -1.49 -1.16 0.00 0.00 179.01 176.41 3h1j h TRP 342 N 0.49 -0.33 -0.45 4.33 4.06 -0.28 0.86 115.95 124.63 3h1j h TRP 342 Ca 0.11 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.13 3h1j h TRP 342 Cb 0.30 0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 3h1j h TRP 342 CO 0.01 -0.11 0.31 0.52 -3.56 0.00 0.00 178.44 175.61 3h1j h MET 343 N -0.49 0.27 -0.30 0.49 2.86 -0.28 0.16 114.93 117.64 3h1j h MET 343 Ca -0.04 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3h1j h MET 343 Cb 0.37 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3h1j h MET 343 CO 0.06 0.18 -0.24 -0.09 1.06 0.00 0.00 176.91 177.87 3h1j h ARG 344 N 0.27 0.58 -0.62 1.72 2.43 -0.18 -1.78 114.38 116.80 3h1j h ARG 344 Ca 0.21 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3h1j h ARG 344 Cb 0.46 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3h1j h ARG 344 CO -0.04 0.77 0.35 -0.07 -1.51 0.00 0.00 179.97 179.47 3h1j h LEU 345 N 0.51 0.78 -0.46 3.80 3.38 0.17 0.39 115.31 123.88 3h1j h LEU 345 Ca 0.07 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3h1j h LEU 345 Cb 0.69 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3h1j h LEU 345 CO 0.05 0.64 -0.72 0.00 0.09 0.00 0.00 178.44 178.50 3h1j n THR 347 N -3.81 1.15 -2.27 0.00 -2.24 -0.69 -4.69 114.28 101.73 3h1j n THR 347 Ca -0.03 -0.60 0.04 0.00 -2.27 0.00 0.00 64.05 61.19 3h1j n THR 347 Cb 0.70 -0.83 0.07 0.00 -2.10 0.00 0.00 70.33 68.17 3h1j n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h1j n SER 348 N -2.80 1.20 -4.71 3.42 3.41 0.14 -5.08 113.62 109.20 3h1j n SER 348 Ca -0.31 -2.50 -0.43 0.00 -0.26 0.00 0.00 58.87 55.37 3h1j n SER 348 Cb 0.98 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 3h1j n SER 348 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3h1j n THR 349 N 0.07 1.14 -3.97 6.66 -1.04 -1.11 -4.95 114.28 111.08 3h1j n THR 349 Ca 0.09 -0.29 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 3h1j n THR 349 Cb 1.03 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 67.79 3h1j n THR 349 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3h1j s THR 350 N -0.20 5.13 0.22 12.58 -4.23 -1.26 -4.80 115.64 123.08 3h1j s THR 350 Ca 0.64 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 3h1j s THR 350 Cb -0.57 -3.57 0.17 0.00 1.34 0.00 0.00 72.50 69.87 3h1j s THR 350 CO 0.51 0.01 1.78 -0.33 -0.54 0.00 0.00 174.62 176.05 3h1j h GLU 351 N 2.64 0.58 -0.92 3.99 4.39 -1.96 -1.28 114.58 122.01 3h1j h GLU 351 Ca -0.47 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.35 3h1j h GLU 351 Cb 1.18 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.60 3h1j h GLU 351 CO 0.70 0.38 0.53 0.77 -1.16 0.00 0.00 179.01 180.23 3h1j h SER 352 N 0.59 0.69 0.36 1.42 0.02 -1.99 -0.21 113.55 114.43 3h1j h SER 352 Ca 0.34 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 3h1j h SER 352 Cb 0.35 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3h1j h SER 352 CO -0.26 0.29 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.22 3h1j h GLU 353 N 0.74 -0.47 -0.42 3.45 5.08 -1.64 -2.52 114.58 118.79 3h1j h GLU 353 Ca 0.50 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.90 3h1j h GLU 353 Cb 0.69 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3h1j h GLU 353 CO -0.35 -0.25 0.28 -0.39 -1.00 0.00 0.00 179.01 177.30 3h1j h VAL 354 N -0.58 1.10 -0.03 3.13 -1.51 -1.06 0.18 116.25 117.48 3h1j h VAL 354 Ca -0.05 -0.19 0.01 0.00 -1.23 0.00 0.00 66.70 65.24 3h1j h VAL 354 Cb 0.43 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 3h1j h VAL 354 CO 0.08 0.10 -0.00 0.50 -1.23 0.00 0.00 177.57 177.02 3h1j h LYS 355 N 0.56 0.01 -0.19 5.19 3.64 -0.82 0.44 116.57 125.39 3h1j h LYS 355 Ca 0.16 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3h1j h LYS 355 Cb -0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3h1j h LYS 355 CO -0.04 0.01 0.07 -0.09 -2.27 0.00 0.00 179.45 177.13 3h1j h ARG 356 N 0.01 0.29 -0.64 1.90 2.43 -0.96 -2.31 114.38 115.10 3h1j h ARG 356 Ca 0.01 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3h1j h ARG 356 Cb 0.02 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 3h1j h ARG 356 CO -0.03 0.37 0.29 0.00 -1.51 0.00 0.00 179.97 179.09 3h1j h ALA 357 N 0.91 0.85 -0.18 2.80 0.00 -0.32 0.92 119.26 124.24 3h1j h ALA 357 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h1j h ALA 357 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h1j h ALA 357 CO -0.00 -0.10 0.07 0.87 0.00 0.00 0.00 179.25 180.09 3h1j h LYS 358 N 0.52 0.26 0.10 0.00 1.57 -0.00 0.03 116.57 119.05 3h1j h LYS 358 Ca 0.31 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3h1j h LYS 358 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3h1j h LYS 358 CO -0.26 0.33 -0.09 -0.91 -0.57 0.00 0.00 179.45 177.94 3h1j h ASN 359 N 0.14 -0.24 -0.81 0.86 2.35 -0.78 -0.61 115.58 116.49 3h1j h ASN 359 Ca 0.06 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.93 3h1j h ASN 359 Cb 0.16 0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.54 3h1j h ASN 359 CO -0.01 -0.15 0.45 -0.74 -1.65 0.00 0.00 177.43 175.34 3h1j h HIS 360 N -0.21 0.82 0.46 1.19 2.76 -0.75 -2.11 115.15 117.31 3h1j h HIS 360 Ca 0.00 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 3h1j h HIS 360 Cb 0.20 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.92 3h1j h HIS 360 CO -0.11 0.32 -0.22 1.25 -1.30 0.00 0.00 177.93 177.87 3h1j h LEU 361 N 0.75 -0.52 -0.74 0.26 5.85 -0.38 -1.79 115.31 118.74 3h1j h LEU 361 Ca 0.40 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.30 3h1j h LEU 361 Cb 0.40 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.45 3h1j h LEU 361 CO -0.26 -0.37 0.14 0.03 -0.34 0.00 0.00 178.44 177.64 3h1j h ARG 362 N -0.62 0.22 -0.99 1.25 3.08 -0.81 0.33 114.38 116.84 3h1j h ARG 362 Ca -0.06 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.00 3h1j h ARG 362 Cb 0.47 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3h1j h ARG 362 CO 0.10 0.14 0.65 0.77 -1.07 0.00 0.00 179.97 180.57 3h1j h SER 363 N 0.23 1.10 -0.25 7.04 0.02 -1.02 0.24 113.55 120.90 3h1j h SER 363 Ca 0.42 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.28 3h1j h SER 363 Cb 0.74 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3h1j h SER 363 CO -0.55 0.77 -0.13 0.00 -1.14 0.00 0.00 176.83 175.78 3h1j h ALA 364 N 1.41 0.36 -1.00 3.77 0.00 -0.07 -2.15 119.26 121.57 3h1j h ALA 364 Ca 0.38 -0.32 0.15 0.00 0.00 0.00 0.00 54.91 55.12 3h1j h ALA 364 Cb -0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.56 3h1j h ALA 364 CO -0.11 0.23 0.62 1.98 0.00 0.00 0.00 179.25 181.98 3h1j h MET 365 N 0.26 0.88 -0.10 0.00 -1.53 0.50 -0.96 114.93 113.98 3h1j h MET 365 Ca 0.06 -0.05 -0.20 0.00 -3.44 0.00 0.00 59.70 56.06 3h1j h MET 365 Cb 0.64 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.50 3h1j h MET 365 CO 0.04 0.58 -0.77 0.28 0.14 0.00 0.00 176.91 177.18 3h1j h VAL 366 N 0.90 1.34 0.00 -5.77 2.07 -0.84 -2.92 116.25 111.04 3h1j h VAL 366 Ca 0.52 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3h1j h VAL 366 Cb 0.64 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3h1j h VAL 366 CO -0.30 0.64 0.00 0.00 0.02 0.00 0.00 177.57 177.93 3h1j n ALA 367 N -2.55 1.55 0.61 1.67 0.00 -0.44 -1.31 120.51 120.03 3h1j n ALA 367 Ca -0.06 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3h1j n ALA 367 Cb 0.73 -1.36 0.44 0.00 0.00 0.00 0.00 19.45 19.27 3h1j n ALA 367 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h1j n GLN 368 N -2.17 0.09 -2.55 0.00 1.13 -0.75 -3.18 117.38 109.96 3h1j n GLN 368 Ca 0.02 0.23 -0.23 0.00 -1.94 0.00 0.00 57.00 55.08 3h1j n GLN 368 Cb 0.19 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3h1j n GLN 368 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h1j n LEU 369 N -1.81 3.91 -3.79 1.08 4.77 -0.43 -4.07 117.00 116.66 3h1j n LEU 369 Ca 0.04 -4.89 -0.38 0.00 -0.03 0.00 0.00 56.01 50.75 3h1j n LEU 369 Cb 0.27 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3h1j n LEU 369 CO 0.21 2.09 0.85 -0.67 -1.33 0.00 0.00 177.39 178.54 3h1j n ASP 370 N -0.37 5.74 0.00 -1.43 2.03 -1.19 -4.79 116.55 116.54 3h1j n ASP 370 Ca 0.32 -3.45 0.00 0.00 0.52 0.00 0.00 54.79 52.17 3h1j n ASP 370 Cb 0.69 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 3h1j n ASP 370 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h1j n GLY 371 N 1.04 3.79 0.17 0.27 0.00 -1.26 -4.75 105.19 104.45 3h1j n GLY 371 Ca 0.29 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.55 3h1j n GLY 371 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h1j h THR 372 N 0.88 0.73 0.38 2.61 1.35 -1.93 -0.77 112.91 116.16 3h1j h THR 372 Ca 0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 3h1j h THR 372 Cb 0.00 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 3h1j h THR 372 CO 0.00 0.02 -0.44 0.74 -0.25 0.00 0.00 175.52 175.59 3h1j h THR 373 N 0.14 0.00 -0.66 6.82 2.02 -1.90 0.33 112.91 119.66 3h1j h THR 373 Ca 0.20 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.47 3h1j h THR 373 Cb 0.27 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.61 3h1j h THR 373 CO -0.30 0.00 0.30 -0.65 0.37 0.00 0.00 175.52 175.24 3h1j h PRO 374 N -0.83 0.51 -0.42 6.66 0.11 -1.81 0.12 132.00 136.32 3h1j h PRO 374 Ca -0.05 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.08 3h1j h PRO 374 Cb 0.74 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.69 3h1j h PRO 374 CO -0.09 0.33 0.17 0.28 -0.21 0.00 0.00 178.00 178.49 3h1j h VAL 375 N 0.52 0.90 0.09 3.15 2.07 -0.80 -1.14 116.25 121.04 3h1j h VAL 375 Ca 0.32 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.74 3h1j h VAL 375 Cb 0.36 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3h1j h VAL 375 CO -0.27 0.06 -0.20 0.00 0.02 0.00 0.00 177.57 177.18 3h1j h GLU 377 N -0.38 0.00 0.03 0.00 4.57 -0.06 0.18 114.58 118.92 3h1j h GLU 377 Ca 0.03 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.94 3h1j h GLU 377 Cb 0.41 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3h1j h GLU 377 CO -0.13 0.00 -1.08 1.15 -1.18 0.00 0.00 179.01 177.77 3h1j h THR 378 N 0.00 1.29 0.66 0.32 2.02 -0.24 -2.53 112.91 114.44 3h1j h THR 378 Ca 0.36 -2.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.18 3h1j h THR 378 Cb 1.51 2.46 0.01 0.00 -1.74 0.00 0.00 68.15 70.39 3h1j h THR 378 CO -0.00 0.71 -0.32 0.40 0.37 0.00 0.00 175.52 176.68 3h1j h ILE 379 N 0.35 0.17 -0.83 3.11 2.04 -0.13 0.49 117.51 122.71 3h1j h ILE 379 Ca -0.14 -0.29 0.21 0.00 1.00 0.00 0.00 64.86 65.64 3h1j h ILE 379 Cb 1.74 0.23 -0.13 0.00 -0.74 0.00 0.00 36.82 37.91 3h1j h ILE 379 CO 0.21 0.02 0.18 1.23 0.00 0.00 0.00 178.15 179.79 3h1j h GLY 380 N -1.13 1.19 1.06 5.37 0.00 -1.14 -1.42 103.07 107.00 3h1j h GLY 380 Ca -0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 47.33 46.99 3h1j h GLY 380 CO 0.15 -0.31 -0.98 1.76 0.00 0.00 0.00 176.54 177.15 3h1j h SER 381 N 0.21 0.77 0.62 0.19 0.02 -1.40 -2.68 113.55 111.28 3h1j h SER 381 Ca 0.50 -0.79 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3h1j h SER 381 Cb 0.95 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 3h1j h SER 381 CO -0.63 1.47 -0.44 0.45 -1.14 0.00 0.00 176.83 176.55 3h1j h HIS 382 N 0.15 -1.18 -0.51 3.45 -0.00 0.98 0.67 115.15 118.71 3h1j h HIS 382 Ca -0.14 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.33 3h1j h HIS 382 Cb 1.67 0.43 -0.10 0.00 -0.00 0.00 0.00 27.41 29.41 3h1j h HIS 382 CO 0.13 -0.63 -0.24 -0.07 -0.00 0.00 0.00 177.93 177.12 3h1j h LEU 383 N -1.01 -0.83 -0.45 2.43 3.38 -0.98 1.62 115.31 119.48 3h1j h LEU 383 Ca -0.08 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3h1j h LEU 383 Cb 0.83 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 3h1j h LEU 383 CO 0.05 -0.26 0.15 0.25 0.09 0.00 0.00 178.44 178.72 3h1j h LEU 384 N -0.12 0.15 0.00 1.67 5.85 -1.21 -0.96 115.31 120.69 3h1j h LEU 384 Ca 0.23 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3h1j h LEU 384 Cb 0.49 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3h1j h LEU 384 CO -0.59 0.12 -0.56 0.59 -0.34 0.00 0.00 178.44 177.66 3h1j n ASN 385 N -5.02 1.79 -0.16 1.25 3.02 0.23 -4.49 115.26 111.89 3h1j n ASN 385 Ca 0.04 0.59 0.15 0.00 -0.03 0.00 0.00 54.58 55.33 3h1j n ASN 385 Cb 0.18 -0.85 0.79 0.00 -0.61 0.00 0.00 39.78 39.29 3h1j n ASN 385 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3h1j n TYR 386 N -4.55 0.00 0.00 3.10 4.01 0.54 -4.77 117.16 115.49 3h1j n TYR 386 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3h1j n TYR 386 Cb 0.29 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3h1j n TYR 386 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h1j n GLY 387 N 1.07 1.68 0.00 2.72 0.00 -0.36 -4.87 105.19 105.43 3h1j n GLY 387 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3h1j n GLY 387 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h1j n ARG 388 N 0.00 2.90 -4.14 1.61 0.00 -1.26 -4.48 116.66 111.29 3h1j n ARG 388 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 3h1j n ARG 388 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.38 3h1j n ARG 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3h1j s ARG 389 N 0.03 3.17 -0.29 2.89 6.06 -1.26 -2.48 118.95 127.07 3h1j s ARG 389 Ca 0.00 -0.31 -0.01 0.00 -2.50 0.00 0.00 55.73 52.91 3h1j s ARG 389 Cb 0.00 -2.96 0.05 0.00 0.06 0.00 0.00 34.95 32.10 3h1j s ARG 389 CO 0.00 0.72 -0.02 0.42 -2.50 0.00 0.00 175.30 173.93 3h1j s ILE 390 N -0.99 2.85 0.56 4.11 1.01 -1.26 -5.08 121.20 122.40 3h1j s ILE 390 Ca 0.16 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.18 3h1j s ILE 390 Cb -0.12 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 3h1j s ILE 390 CO 0.05 -0.10 1.12 -0.94 0.00 0.00 0.00 174.94 175.06 3h1j s SER 391 N 1.23 5.66 0.27 3.58 1.04 -1.26 -4.81 113.70 119.41 3h1j s SER 391 Ca -0.06 2.11 -0.01 0.00 0.48 0.00 0.00 55.95 58.47 3h1j s SER 391 Cb -0.20 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 63.81 3h1j s SER 391 CO -0.02 -1.26 1.87 -0.07 0.98 0.00 0.00 173.24 174.74 3h1j h LEU 392 N 0.98 1.00 -1.35 2.42 3.38 -1.98 0.21 115.31 119.97 3h1j h LEU 392 Ca -0.49 0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.60 3h1j h LEU 392 Cb 1.25 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 3h1j h LEU 392 CO 0.57 0.61 0.53 -0.08 0.09 0.00 0.00 178.44 180.15 3h1j h GLU 393 N 1.12 0.68 0.20 1.13 4.81 -1.92 0.99 114.58 121.59 3h1j h GLU 393 Ca 0.45 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 3h1j h GLU 393 Cb 0.26 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3h1j h GLU 393 CO -0.20 0.45 -0.09 1.49 -0.73 0.00 0.00 179.01 179.93 3h1j h GLU 394 N 0.70 -0.25 -0.54 1.92 4.81 -1.07 -2.07 114.58 118.08 3h1j h GLU 394 Ca 0.38 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.73 3h1j h GLU 394 Cb 0.51 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.84 3h1j h GLU 394 CO -0.15 0.03 -0.28 -1.49 -0.73 0.00 0.00 179.01 176.39 3h1j h TRP 395 N -1.00 -0.74 -0.92 0.92 -0.00 -0.36 0.53 115.95 114.37 3h1j h TRP 395 Ca -0.03 0.06 0.13 0.00 -0.00 0.00 0.00 58.89 59.05 3h1j h TRP 395 Cb 0.40 0.41 -0.09 0.00 -0.00 0.00 0.00 29.16 29.88 3h1j h TRP 395 CO 0.05 -0.35 0.54 0.22 -0.00 0.00 0.00 178.44 178.90 3h1j h ASP 396 N -0.15 0.75 0.81 -3.49 1.82 0.91 0.26 116.42 117.33 3h1j h ASP 396 Ca 0.23 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.90 3h1j h ASP 396 Cb 0.52 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.46 3h1j h ASP 396 CO -0.62 0.37 -0.40 -1.28 -1.61 0.00 0.00 179.24 175.70 3h1j h SER 397 N 0.82 -0.95 -0.70 2.28 0.87 0.66 -1.64 113.55 114.90 3h1j h SER 397 Ca 0.47 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 61.22 3h1j h SER 397 Cb 0.55 0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 62.63 3h1j h SER 397 CO -0.30 -0.67 -0.09 0.03 -0.53 0.00 0.00 176.83 175.28 3h1j h ARG 398 N -1.09 0.05 -0.54 2.24 3.08 -0.11 -0.90 114.38 117.09 3h1j h ARG 398 Ca -0.11 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.00 3h1j h ARG 398 Cb 0.84 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.83 3h1j h ARG 398 CO 0.18 0.03 0.24 0.82 -1.07 0.00 0.00 179.97 180.16 3h1j h ILE 399 N 0.05 0.88 -0.09 2.04 2.04 -0.40 -1.79 117.51 120.24 3h1j h ILE 399 Ca 0.36 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 66.09 3h1j h ILE 399 Cb 0.58 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3h1j h ILE 399 CO -0.66 0.08 0.08 0.28 0.00 0.00 0.00 178.15 177.93 3h1j h SER 400 N 0.45 0.00 0.53 1.72 0.02 -0.17 -1.72 113.55 114.38 3h1j h SER 400 Ca 0.26 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.13 3h1j h SER 400 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3h1j h SER 400 CO -0.22 0.00 -0.36 0.00 -1.14 0.00 0.00 176.83 175.11 3h1j h ALA 401 N 1.93 1.21 -2.89 3.77 0.00 -1.05 -3.44 119.26 118.78 3h1j h ALA 401 Ca 0.04 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 54.09 3h1j h ALA 401 Cb 0.20 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 18.01 3h1j h ALA 401 CO -0.00 0.45 0.65 0.08 0.00 0.00 0.00 179.25 180.43 3h1j s VAL 402 N -3.96 2.53 0.15 0.00 1.01 -0.65 -5.03 120.40 114.45 3h1j s VAL 402 Ca -0.02 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 3h1j s VAL 402 Cb 0.13 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.21 3h1j s VAL 402 CO 0.70 0.09 0.32 1.51 0.00 0.00 0.00 175.10 177.72 3h1j s ASP 403 N -0.56 -0.03 0.10 3.32 -4.77 -1.26 -5.01 116.67 108.46 3h1j s ASP 403 Ca 0.54 -0.68 -0.20 0.00 -3.30 0.00 0.00 52.55 48.91 3h1j s ASP 403 Cb -0.40 0.44 -0.04 0.00 -1.09 0.00 0.00 42.92 41.83 3h1j s ASP 403 CO 0.53 -0.88 1.21 0.00 0.70 0.00 0.00 175.17 176.73 3h1j n ALA 404 N -0.20 -0.41 -0.32 2.11 0.00 -1.26 -0.67 120.51 119.76 3h1j n ALA 404 Ca -0.11 0.54 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 3h1j n ALA 404 Cb 0.63 0.03 0.01 0.00 0.00 0.00 0.00 19.45 20.12 3h1j n ALA 404 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1j h ARG 405 N 0.00 -0.07 -0.34 0.00 9.65 -1.96 0.14 114.38 121.80 3h1j h ARG 405 Ca 0.10 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.05 3h1j h ARG 405 Cb 0.26 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 3h1j h ARG 405 CO -0.60 -0.05 -0.01 1.98 2.80 0.00 0.00 179.97 184.10 3h1j h MET 406 N -0.07 0.08 -0.32 0.20 4.05 -1.30 0.85 114.93 118.42 3h1j h MET 406 Ca 0.28 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.75 3h1j h MET 406 Cb 0.57 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 3h1j h MET 406 CO -0.87 0.05 0.03 0.28 0.23 0.00 0.00 176.91 176.64 3h1j h VAL 407 N 0.09 0.81 0.28 -5.77 2.07 0.66 0.80 116.25 115.19 3h1j h VAL 407 Ca 0.16 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3h1j h VAL 407 Cb 0.22 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3h1j h VAL 407 CO -0.28 0.02 -0.15 0.03 0.02 0.00 0.00 177.57 177.22 3h1j h ARG 408 N 0.13 -0.39 0.02 1.57 3.08 -0.46 0.33 114.38 118.67 3h1j h ARG 408 Ca 0.15 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.25 3h1j h ARG 408 Cb 0.18 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3h1j h ARG 408 CO -0.23 -0.26 -0.22 -0.44 -1.07 0.00 0.00 179.97 177.75 3h1j h ASP 409 N -0.40 -0.65 -0.44 7.04 3.32 -0.56 0.35 116.42 125.08 3h1j h ASP 409 Ca -0.04 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3h1j h ASP 409 Cb 0.32 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3h1j h ASP 409 CO 0.05 -0.29 0.26 0.58 -1.72 0.00 0.00 179.24 178.12 3h1j h VAL 410 N -0.36 1.15 -0.54 -1.35 2.07 -0.73 -0.82 116.25 115.67 3h1j h VAL 410 Ca 0.06 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3h1j h VAL 410 Cb 0.43 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3h1j h VAL 410 CO -0.19 0.15 0.18 0.00 0.02 0.00 0.00 177.57 177.73 3h1j h SER 412 N 0.74 -0.59 -0.79 0.00 0.02 -0.09 0.73 113.55 113.56 3h1j h SER 412 Ca 0.17 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.37 3h1j h SER 412 Cb 0.26 0.25 -0.15 0.00 0.14 0.00 0.00 62.40 62.90 3h1j h SER 412 CO -0.01 -0.26 -0.22 0.50 -1.14 0.00 0.00 176.83 175.70 3h1j h LYS 413 N -0.30 -0.02 0.00 3.45 3.64 -0.81 -1.42 116.57 121.12 3h1j h LYS 413 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3h1j h LYS 413 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3h1j h LYS 413 CO -0.21 -0.01 -1.34 0.66 -2.27 0.00 0.00 179.45 176.28 3h1j n TYR 414 N -5.51 0.57 -0.04 1.91 4.02 -0.79 -4.77 117.16 112.55 3h1j n TYR 414 Ca 0.11 0.17 -0.08 0.00 -0.01 0.00 0.00 57.90 58.08 3h1j n TYR 414 Cb 0.40 -0.75 -0.03 0.00 -0.02 0.00 0.00 39.34 38.95 3h1j n TYR 414 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3h1j n ILE 415 N -2.46 1.26 -1.60 -0.72 5.41 0.25 -4.79 119.36 116.71 3h1j n ILE 415 Ca -0.01 0.14 -0.53 0.00 1.00 0.00 0.00 62.75 63.35 3h1j n ILE 415 Cb 0.54 -1.94 -0.06 0.00 -0.71 0.00 0.00 39.64 37.47 3h1j n ILE 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1j n TYR 416 N -3.96 1.52 -3.93 1.39 9.36 -0.58 -2.37 117.16 118.59 3h1j n TYR 416 Ca -0.14 0.66 -0.29 0.00 3.32 0.00 0.00 57.90 61.45 3h1j n TYR 416 Cb 0.40 -2.33 -0.01 0.00 -0.63 0.00 0.00 39.34 36.77 3h1j n TYR 416 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3h1j n ASP 417 N 2.80 -1.75 -4.49 2.98 4.64 0.08 -4.91 116.55 115.90 3h1j n ASP 417 Ca 0.20 -1.06 -0.27 0.00 -1.38 0.00 0.00 54.79 52.28 3h1j n ASP 417 Cb 0.17 -2.88 -0.11 0.00 -1.04 0.00 0.00 41.12 37.27 3h1j n ASP 417 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3h1j s LYS 418 N -6.57 1.76 -0.40 -0.67 -0.14 -1.00 -5.09 119.74 107.64 3h1j s LYS 418 Ca 0.16 -1.44 -0.21 0.00 -1.36 0.00 0.00 55.97 53.12 3h1j s LYS 418 Cb -0.07 -1.97 0.01 0.00 -1.68 0.00 0.00 37.83 34.13 3h1j s LYS 418 CO 0.90 0.41 0.64 0.00 -0.76 0.00 0.00 175.35 176.54 3h1j s PRO 420 N 2.78 2.17 -0.16 0.00 0.04 -1.26 -4.04 135.00 134.53 3h1j s PRO 420 Ca 0.23 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.39 3h1j s PRO 420 Cb -0.14 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3h1j s PRO 420 CO 0.17 -1.45 -0.04 0.00 0.04 0.00 0.00 177.00 175.73 3h1j s ALA 421 N -3.50 2.96 0.04 8.56 0.00 0.22 -2.11 121.76 127.93 3h1j s ALA 421 Ca 0.61 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.79 3h1j s ALA 421 Cb -0.11 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3h1j s ALA 421 CO 0.49 0.12 -0.26 -1.17 0.00 0.00 0.00 175.76 174.94 3h1j s LEU 422 N 0.53 2.16 -0.04 0.00 2.96 0.87 -1.42 118.68 123.74 3h1j s LEU 422 Ca -0.03 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 3h1j s LEU 422 Cb -0.14 -1.26 0.03 0.00 0.50 0.00 0.00 46.19 45.32 3h1j s LEU 422 CO 0.03 0.25 0.07 0.00 -1.32 0.00 0.00 176.35 175.38 3h1j s ALA 423 N -0.80 0.06 -0.01 5.97 0.00 -0.50 -0.96 121.76 125.51 3h1j s ALA 423 Ca 0.11 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3h1j s ALA 423 Cb -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3h1j s ALA 423 CO 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 175.76 175.44 3h1j s ALA 424 N 1.57 0.51 0.04 0.00 0.00 -0.89 -1.32 121.76 121.67 3h1j s ALA 424 Ca -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3h1j s ALA 424 Cb -0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3h1j s ALA 424 CO -0.04 0.08 -0.09 0.08 0.00 0.00 0.00 175.76 175.79 3h1j s VAL 425 N 0.14 0.69 0.00 0.00 1.01 -0.30 -0.81 120.40 121.13 3h1j s VAL 425 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3h1j s VAL 425 Cb -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.63 3h1j s VAL 425 CO -0.00 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3h1j n GLY 426 N 1.70 0.31 2.46 4.51 0.00 -0.83 -1.54 105.19 111.80 3h1j n GLY 426 Ca -0.20 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 3h1j n GLY 426 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1j n PRO 427 N 0.19 3.80 -0.38 1.61 -0.04 -1.15 -0.70 135.00 138.32 3h1j n PRO 427 Ca 0.00 -2.67 -0.01 0.00 -0.04 0.00 0.00 63.50 60.78 3h1j n PRO 427 Cb 0.00 -2.84 0.13 0.00 -0.04 0.00 0.00 33.50 30.75 3h1j n PRO 427 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3h1j n ILE 428 N 3.32 1.30 -0.33 0.52 -5.35 -1.26 -4.51 119.36 113.06 3h1j n ILE 428 Ca 0.68 -0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 62.53 3h1j n ILE 428 Cb 0.27 -0.53 0.09 0.00 -1.74 0.00 0.00 39.64 37.72 3h1j n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3h1j h GLU 429 N 1.18 1.16 0.22 6.28 4.81 -1.89 -3.19 114.58 123.15 3h1j h GLU 429 Ca 0.08 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3h1j h GLU 429 Cb 1.27 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3h1j h GLU 429 CO 0.26 0.77 -0.11 0.37 -0.73 0.00 0.00 179.01 179.57 3h1j h GLN 430 N 1.19 -0.29 -6.97 1.92 4.15 -1.79 -3.41 115.11 109.92 3h1j h GLN 430 Ca 0.32 0.02 -0.53 0.00 0.77 0.00 0.00 58.65 59.23 3h1j h GLN 430 Cb -0.14 0.06 0.10 0.00 0.21 0.00 0.00 27.48 27.71 3h1j h GLN 430 CO -0.07 -0.14 0.63 -1.17 -1.93 0.00 0.00 178.83 176.15 3h1j s LEU 431 N -10.01 4.15 0.08 -2.39 0.20 -1.21 -4.73 118.68 104.77 3h1j s LEU 431 Ca -0.15 2.72 -0.27 0.00 0.69 0.00 0.00 54.13 57.12 3h1j s LEU 431 Cb 0.05 -3.96 0.09 0.00 -0.43 0.00 0.00 46.19 41.94 3h1j s LEU 431 CO 0.64 -1.00 1.10 -0.22 -0.29 0.00 0.00 176.35 176.58 3h1j s LEU 432 N -2.62 -0.13 0.07 -0.68 0.20 -1.26 -4.98 118.68 109.28 3h1j s LEU 432 Ca 0.59 -0.28 0.00 0.00 0.69 0.00 0.00 54.13 55.13 3h1j s LEU 432 Cb -0.39 1.83 0.00 0.00 -0.43 0.00 0.00 46.19 47.20 3h1j s LEU 432 CO 0.50 -0.64 0.00 -0.67 -0.29 0.00 0.00 176.35 175.25 3h1j n ASP 433 N -0.47 -6.07 -0.20 3.68 4.64 -1.26 -4.46 116.55 112.41 3h1j n ASP 433 Ca -0.07 1.44 0.00 0.00 -1.38 0.00 0.00 54.79 54.78 3h1j n ASP 433 Cb 0.62 -3.90 0.11 0.00 -1.04 0.00 0.00 41.12 36.90 3h1j n ASP 433 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3h1j h TYR 434 N 4.10 0.34 0.16 -0.67 3.20 -1.99 -2.19 116.97 119.92 3h1j h TYR 434 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3h1j h TYR 434 Cb 0.00 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3h1j h TYR 434 CO 0.00 0.06 -0.40 -0.91 -1.64 0.00 0.00 178.16 175.26 3h1j h ASN 435 N 0.36 -1.17 -0.96 -2.11 2.35 -1.98 0.99 115.58 113.06 3h1j h ASN 435 Ca 0.31 0.13 0.21 0.00 -0.55 0.00 0.00 56.30 56.40 3h1j h ASN 435 Cb 0.42 0.43 -0.08 0.00 0.05 0.00 0.00 38.32 39.14 3h1j h ASN 435 CO -0.34 -0.49 0.62 0.03 -1.65 0.00 0.00 177.43 175.60 3h1j h ARG 436 N -0.66 0.50 0.04 0.81 2.47 -1.71 0.30 114.38 116.13 3h1j h ARG 436 Ca 0.02 -0.03 -0.22 0.00 -1.26 0.00 0.00 59.98 58.48 3h1j h ARG 436 Cb 0.67 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3h1j h ARG 436 CO -0.21 0.33 -1.02 0.82 0.56 0.00 0.00 179.97 180.45 3h1j h ILE 437 N 0.52 1.60 -0.33 2.04 2.04 -0.65 -3.19 117.51 119.53 3h1j h ILE 437 Ca 0.53 -3.08 -0.07 0.00 1.00 0.00 0.00 64.86 63.23 3h1j h ILE 437 Cb 1.15 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.97 3h1j h ILE 437 CO -0.26 0.89 -0.11 -0.09 0.00 0.00 0.00 178.15 178.58 3h1j h ARG 438 N 0.05 0.56 0.00 2.37 9.65 0.45 -2.08 114.38 125.38 3h1j h ARG 438 Ca -0.05 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3h1j h ARG 438 Cb 1.73 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.25 3h1j h ARG 438 CO 0.15 0.67 0.00 0.77 2.80 0.00 0.00 179.97 184.35 3h1j h SER 439 N 0.52 0.00 0.29 -3.80 0.02 -0.98 -2.30 113.55 107.31 3h1j h SER 439 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3h1j h SER 439 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3h1j h SER 439 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 3h1j n GLY 440 N 0.30 -0.99 0.27 -3.77 0.00 -0.78 -2.77 105.19 97.45 3h1j n GLY 440 Ca 0.02 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3h1j n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h1j n MET 441 N -1.18 1.37 -3.78 1.61 2.00 -0.86 -4.81 117.12 111.47 3h1j n MET 441 Ca 0.14 -0.55 -0.13 0.00 0.00 0.00 0.00 57.70 57.17 3h1j n MET 441 Cb 0.16 -1.45 -0.10 0.00 0.00 0.00 0.00 33.22 31.83 3h1j n MET 441 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3h1j s TYR 442 N -1.97 -0.25 -0.04 2.03 -0.85 -1.11 -0.74 117.35 114.42 3h1j s TYR 442 Ca 0.39 0.54 -0.03 0.00 -0.52 0.00 0.00 57.07 57.45 3h1j s TYR 442 Cb 0.20 0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.64 3h1j s TYR 442 CO 0.32 -0.25 0.06 1.87 -1.52 0.00 0.00 175.55 176.03 3h1j n TRP 443 N 2.24 -1.22 1.91 -3.49 -0.00 -1.26 -5.05 117.44 110.58 3h1j n TRP 443 Ca -0.17 0.71 0.16 0.00 -0.00 0.00 0.00 57.50 58.20 3h1j n TRP 443 Cb 0.57 -2.19 0.88 0.00 -0.00 0.00 0.00 31.31 30.57 3h1j n TRP 443 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13