#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j n THR 3 N 0.00 1.04 -0.32 0.00 -2.24 -1.26 -4.43 114.28 107.06 3h1j n THR 3 Ca 0.00 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 3h1j n THR 3 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3h1j n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1j n TYR 4 N -0.12 -0.30 -0.31 4.78 9.36 -1.26 -0.79 117.16 128.53 3h1j n TYR 4 Ca 0.10 0.97 -0.03 0.00 3.32 0.00 0.00 57.90 62.25 3h1j n TYR 4 Cb 0.17 -0.59 -0.00 0.00 -0.63 0.00 0.00 39.34 38.29 3h1j n TYR 4 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h1j n ALA 5 N -3.44 -0.21 -0.01 2.98 0.00 -1.26 -0.91 120.51 117.66 3h1j n ALA 5 Ca 0.02 0.75 -0.11 0.00 0.00 0.00 0.00 53.44 54.09 3h1j n ALA 5 Cb 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 3h1j n ALA 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3h1j h GLN 6 N 0.00 0.13 -0.72 0.00 4.20 -1.25 -2.30 115.11 115.16 3h1j h GLN 6 Ca 0.23 -0.02 0.21 0.00 0.06 0.00 0.00 58.65 59.13 3h1j h GLN 6 Cb 0.42 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3h1j h GLN 6 CO -0.76 0.20 0.60 1.79 -0.67 0.00 0.00 178.83 179.99 3h1j h THR 7 N 0.02 0.46 0.02 -0.54 1.35 -0.83 -0.70 112.91 112.69 3h1j h THR 7 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3h1j h THR 7 Cb 0.12 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 3h1j h THR 7 CO -0.00 0.00 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.19 3h1j h LEU 8 N 0.00 -0.02 0.00 3.87 3.38 -0.83 -3.04 115.31 118.66 3h1j h LEU 8 Ca 0.34 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3h1j h LEU 8 Cb 1.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3h1j h LEU 8 CO -0.00 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3h1j n GLN 9 N -4.85 0.67 -0.10 1.13 10.64 -0.32 -2.92 117.38 121.63 3h1j n GLN 9 Ca -0.09 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 54.97 3h1j n GLN 9 Cb 0.27 -1.34 -0.15 0.00 -0.86 0.00 0.00 30.24 28.16 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 -0.84 0.53 -4.64 2.61 4.13 -0.87 -4.94 115.26 111.24 3h1j n ASN 10 Ca 0.11 0.00 -0.53 0.00 1.68 0.00 0.00 54.58 55.85 3h1j n ASN 10 Cb 0.05 0.59 -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 -2.89 0.12 -1.58 2.41 5.41 -1.15 -4.81 119.36 116.87 3h1j n ILE 11 Ca -0.35 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 62.97 3h1j n ILE 11 Cb 1.11 -1.07 0.01 0.00 -0.71 0.00 0.00 39.64 38.98 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 3.68 1.17 -1.98 0.38 -0.04 -1.26 -4.93 135.00 132.01 3h1j n PRO 12 Ca 0.21 0.42 -0.35 0.00 -0.04 0.00 0.00 63.50 63.74 3h1j n PRO 12 Cb 0.19 -1.92 0.03 0.00 -0.04 0.00 0.00 33.50 31.76 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 -1.92 2.99 -0.22 0.54 2.12 -1.26 -4.88 118.70 116.07 3h1j s GLU 13 Ca 0.63 1.62 -0.21 0.00 0.36 0.00 0.00 54.97 57.38 3h1j s GLU 13 Cb -0.58 -1.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 3h1j s GLU 13 CO 0.57 -1.14 0.64 0.99 -0.54 0.00 0.00 175.26 175.78 3h1j s THR 14 N -1.89 5.00 0.13 -1.70 2.01 -1.26 -4.64 115.64 113.29 3h1j s THR 14 Ca 0.73 1.19 -0.13 0.00 0.31 0.00 0.00 61.69 63.78 3h1j s THR 14 Cb -0.25 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 3h1j s THR 14 CO 0.34 0.07 0.52 0.20 -0.69 0.00 0.00 174.62 175.06 3h1j s ASN 15 N 1.30 6.79 -0.01 3.53 0.01 -0.01 -4.87 114.94 121.67 3h1j s ASN 15 Ca 0.28 1.02 0.00 0.00 -0.71 0.00 0.00 52.86 53.45 3h1j s ASN 15 Cb -0.16 -2.27 0.02 0.00 0.41 0.00 0.00 41.25 39.26 3h1j s ASN 15 CO 0.10 0.12 0.02 -0.69 -1.51 0.00 0.00 177.10 175.13 3h1j s VAL 16 N -1.45 -0.03 -0.02 1.60 1.01 -1.26 -0.77 120.40 119.47 3h1j s VAL 16 Ca 0.37 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 3h1j s VAL 16 Cb -0.15 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.19 3h1j s VAL 16 CO 0.19 0.06 0.04 0.42 0.00 0.00 0.00 175.10 175.81 3h1j s THR 17 N 0.70 -0.02 -0.03 3.92 -4.23 0.74 -4.99 115.64 111.73 3h1j s THR 17 Ca -0.06 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 3h1j s THR 17 Cb -0.08 -0.07 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 3h1j s THR 17 CO -0.02 0.04 0.06 -0.89 -0.54 0.00 0.00 174.62 173.27 3h1j s THR 18 N 0.47 4.63 0.45 3.99 2.01 -1.26 -0.89 115.64 125.04 3h1j s THR 18 Ca -0.04 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.62 3h1j s THR 18 Cb -0.05 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3h1j s THR 18 CO -0.01 0.42 0.65 -0.76 -0.69 0.00 0.00 174.62 174.23 3h1j s LEU 19 N -1.50 3.61 0.63 4.42 1.43 0.11 -4.98 118.68 122.39 3h1j s LEU 19 Ca 0.20 0.07 0.41 0.00 -1.03 0.00 0.00 54.13 53.77 3h1j s LEU 19 Cb -0.12 -2.97 2.13 0.00 0.03 0.00 0.00 46.19 45.26 3h1j s LEU 19 CO 0.11 -0.77 2.27 0.44 0.23 0.00 0.00 176.35 178.62 3h1j h ASP 20 N 0.42 0.00 1.42 2.29 3.45 -1.94 -1.17 116.42 120.89 3h1j h ASP 20 Ca -0.44 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 56.94 3h1j h ASP 20 Cb 1.27 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 3h1j h ASP 20 CO 0.54 0.01 -0.59 -0.55 -1.57 0.00 0.00 179.24 177.07 3h1j h ASN 21 N 0.00 0.00 0.00 6.45 -1.07 -1.94 -3.45 115.58 115.57 3h1j h ASN 21 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3h1j h ASN 21 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 3h1j h ASN 21 CO 0.00 0.31 0.00 0.61 0.07 0.00 0.00 177.43 178.42 3h1j n GLY 22 N 1.21 1.71 3.64 9.14 0.00 -0.44 -4.04 105.19 116.41 3h1j n GLY 22 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.23 0.99 7.94 -1.18 -4.09 117.00 119.00 3h1j n LEU 23 Ca 0.00 1.18 -0.34 0.00 -1.11 0.00 0.00 56.01 55.74 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 -0.92 -0.44 -0.13 -1.11 0.00 0.00 177.39 174.79 3h1j s ARG 24 N -1.32 3.22 -0.17 1.96 0.52 -1.23 -0.71 118.95 121.22 3h1j s ARG 24 Ca 0.61 -0.71 -0.07 0.00 -0.52 0.00 0.00 55.73 55.04 3h1j s ARG 24 Cb -0.66 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 3h1j s ARG 24 CO 0.58 -0.20 0.07 0.08 0.02 0.00 0.00 175.30 175.85 3h1j s VAL 25 N 1.40 4.89 0.04 3.52 1.01 -0.07 -1.02 120.40 130.17 3h1j s VAL 25 Ca 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 3h1j s VAL 25 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3h1j s VAL 25 CO -0.07 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.59 3h1j s ALA 26 N 0.19 -0.02 -0.04 5.51 0.00 0.44 -0.18 121.76 127.65 3h1j s ALA 26 Ca 0.05 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 3h1j s ALA 26 Cb -0.12 0.26 0.11 0.00 0.00 0.00 0.00 23.12 23.37 3h1j s ALA 26 CO 0.00 -0.33 0.91 -1.54 0.00 0.00 0.00 175.76 174.80 3h1j s SER 27 N -2.21 -0.37 -0.20 0.00 1.04 0.05 -1.50 113.70 110.50 3h1j s SER 27 Ca -0.04 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.51 3h1j s SER 27 Cb -0.00 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.53 3h1j s SER 27 CO -0.05 -0.56 -0.09 -0.70 0.98 0.00 0.00 173.24 172.82 3h1j s GLU 28 N -2.63 1.90 -0.16 4.02 2.12 -0.82 -0.83 118.70 122.31 3h1j s GLU 28 Ca 0.03 -0.80 -0.26 0.00 0.36 0.00 0.00 54.97 54.30 3h1j s GLU 28 Cb -0.01 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 3h1j s GLU 28 CO -0.06 -0.44 0.88 -2.00 -0.54 0.00 0.00 175.26 173.09 3h1j s GLU 29 N 1.43 4.32 0.34 4.30 2.12 -1.26 -2.56 118.70 127.40 3h1j s GLU 29 Ca -0.01 1.11 0.05 0.00 0.36 0.00 0.00 54.97 56.47 3h1j s GLU 29 Cb -0.16 -3.57 -0.07 0.00 0.26 0.00 0.00 34.13 30.59 3h1j s GLU 29 CO -0.08 -0.34 0.02 -1.54 -0.54 0.00 0.00 175.26 172.78 3h1j s SER 30 N 1.14 2.90 0.02 -1.70 1.04 0.51 -4.81 113.70 112.81 3h1j s SER 30 Ca 0.40 -1.35 0.27 0.00 0.48 0.00 0.00 55.95 55.76 3h1j s SER 30 Cb -0.17 -0.19 1.14 0.00 0.10 0.00 0.00 66.02 66.90 3h1j s SER 30 CO 0.13 -0.52 1.87 -1.54 0.98 0.00 0.00 173.24 174.16 3h1j n SER 31 N -0.76 0.08 -4.44 7.02 3.41 -1.26 -2.20 113.62 115.47 3h1j n SER 31 Ca -0.04 0.51 -0.59 0.00 -0.26 0.00 0.00 58.87 58.49 3h1j n SER 31 Cb 0.66 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.57 0.00 0.18 4.33 -0.06 -1.26 -4.60 117.38 114.39 3h1j n GLN 32 Ca 0.06 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.11 3h1j n GLN 32 Cb 0.33 -1.47 0.30 0.00 -4.06 0.00 0.00 30.24 25.34 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 3.30 0.00 -6.24 3.69 0.13 -1.92 -0.22 132.00 130.74 3h1j h PRO 33 Ca -0.49 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 3h1j h PRO 33 Cb 1.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 3h1j h PRO 33 CO 0.70 0.42 -0.39 -0.08 -0.23 0.00 0.00 178.00 178.41 3h1j s THR 34 N -3.59 3.34 0.06 1.56 -1.32 -1.26 -0.38 115.64 114.05 3h1j s THR 34 Ca -0.00 -1.26 -0.02 0.00 -1.21 0.00 0.00 61.69 59.19 3h1j s THR 34 Cb 0.11 -3.15 0.01 0.00 -1.51 0.00 0.00 72.50 67.96 3h1j s THR 34 CO 0.70 -0.11 0.12 0.00 -2.21 0.00 0.00 174.62 173.13 3h1j s THR 36 N -2.84 -0.02 -0.03 0.00 2.01 -0.73 -2.29 115.64 111.74 3h1j s THR 36 Ca 0.03 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 3h1j s THR 36 Cb -0.01 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 72.01 3h1j s THR 36 CO 0.02 0.02 0.10 0.68 -0.69 0.00 0.00 174.62 174.76 3h1j s VAL 37 N 0.78 0.02 0.11 3.82 -7.23 -0.64 -0.94 120.40 116.32 3h1j s VAL 37 Ca -0.05 -0.17 -0.26 0.00 -1.81 0.00 0.00 61.98 59.69 3h1j s VAL 37 Cb -0.06 -0.21 0.08 0.00 0.56 0.00 0.00 36.38 36.75 3h1j s VAL 37 CO -0.06 -0.09 0.94 -0.83 -0.31 0.00 0.00 175.10 174.75 3h1j s GLY 38 N -0.27 -0.30 -0.28 2.32 0.00 -0.32 -0.04 107.32 108.42 3h1j s GLY 38 Ca -0.03 0.38 -0.07 0.00 0.00 0.00 0.00 44.72 44.99 3h1j s GLY 38 CO 0.00 0.10 0.09 0.54 0.00 0.00 0.00 173.10 173.82 3h1j s VAL 39 N -3.23 4.14 -0.65 1.40 0.11 0.51 -0.97 120.40 121.71 3h1j s VAL 39 Ca 0.10 -0.51 -0.16 0.00 -2.93 0.00 0.00 61.98 58.48 3h1j s VAL 39 Cb -0.01 -3.07 0.15 0.00 -1.53 0.00 0.00 36.38 31.91 3h1j s VAL 39 CO -0.01 0.15 0.66 0.26 -3.33 0.00 0.00 175.10 172.83 3h1j s TRP 40 N 1.55 3.30 0.40 1.54 0.51 -0.23 -2.20 118.94 123.82 3h1j s TRP 40 Ca 0.04 -1.39 -0.23 0.00 -2.12 0.00 0.00 56.10 52.41 3h1j s TRP 40 Cb -0.16 -3.89 -0.11 0.00 -0.81 0.00 0.00 33.47 28.50 3h1j s TRP 40 CO 0.03 -1.11 0.95 0.42 -0.51 0.00 0.00 176.95 176.73 3h1j s ILE 41 N 1.59 4.33 -1.15 2.03 1.01 -0.32 -2.55 121.20 126.13 3h1j s ILE 41 Ca 0.11 1.58 -0.05 0.00 0.00 0.00 0.00 60.65 62.30 3h1j s ILE 41 Cb -0.22 -3.72 0.25 0.00 0.01 0.00 0.00 42.46 38.78 3h1j s ILE 41 CO 0.00 -0.18 1.82 0.61 0.00 0.00 0.00 174.94 177.19 3h1j n GLY 42 N -0.28 5.36 3.11 6.18 0.00 -0.47 -1.84 105.19 117.25 3h1j n GLY 42 Ca 0.06 -2.41 -0.09 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.25 0.02 0.00 4.61 0.00 -1.25 -4.90 121.76 117.99 3h1j s ALA 43 Ca 0.39 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3h1j s ALA 43 Cb 0.12 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3h1j s ALA 43 CO -0.01 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3h1j n GLY 44 N 0.67 1.24 0.20 0.00 0.00 -1.25 -0.58 105.19 105.47 3h1j n GLY 44 Ca -0.18 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.22 3h1j n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h1j h SER 45 N 0.00 0.00 0.86 1.61 4.64 -0.20 -2.39 113.55 118.07 3h1j h SER 45 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3h1j h SER 45 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3h1j h SER 45 CO 0.00 0.00 -0.33 -0.09 -0.87 0.00 0.00 176.83 175.54 3h1j h ARG 46 N 0.00 0.00 0.00 4.77 2.43 0.12 -2.34 114.38 119.36 3h1j h ARG 46 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3h1j h ARG 46 Cb 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3h1j h ARG 46 CO 0.00 0.33 -0.26 1.88 -1.51 0.00 0.00 179.97 180.41 3h1j h TYR 47 N 0.00 0.00 -4.24 2.20 -1.99 -1.61 -3.45 116.97 107.88 3h1j h TYR 47 Ca -0.00 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.23 3h1j h TYR 47 Cb 0.84 0.00 0.06 0.00 2.00 0.00 0.00 36.73 39.63 3h1j h TYR 47 CO 0.00 0.03 0.38 -1.21 -0.00 0.00 0.00 178.16 177.36 3h1j s GLU 48 N -3.23 3.38 0.00 4.88 2.02 -0.88 -5.03 118.70 119.84 3h1j s GLU 48 Ca 0.05 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.11 3h1j s GLU 48 Cb 0.06 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.24 3h1j s GLU 48 CO 0.70 -0.75 0.00 0.27 0.02 0.00 0.00 175.26 175.50 3h1j n ASN 49 N -2.24 0.96 0.07 -0.19 2.04 -1.26 -4.91 115.26 109.73 3h1j n ASN 49 Ca 0.08 -0.66 -0.01 0.00 -0.44 0.00 0.00 54.58 53.54 3h1j n ASN 49 Cb 0.53 0.00 0.27 0.00 -2.53 0.00 0.00 39.78 38.06 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 0.34 0.00 -3.83 4.22 -1.97 -2.31 114.58 111.03 3h1j h GLU 50 Ca 0.00 -0.12 -0.15 0.00 0.08 0.00 0.00 59.36 59.17 3h1j h GLU 50 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3h1j h GLU 50 CO 0.00 0.56 -0.74 0.87 -2.18 0.00 0.00 179.01 177.53 3h1j h LYS 51 N 0.31 0.00 -0.08 1.92 1.57 -2.03 -3.32 116.57 114.93 3h1j h LYS 51 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3h1j h LYS 51 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3h1j h LYS 51 CO 0.04 0.74 -0.01 0.27 -0.57 0.00 0.00 179.45 179.92 3h1j n ASN 52 N -3.57 2.81 -4.67 0.86 6.94 -1.21 -4.94 115.26 111.47 3h1j n ASN 52 Ca -0.00 -3.09 -0.49 0.00 -0.02 0.00 0.00 54.58 50.97 3h1j n ASN 52 Cb 0.74 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.64 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 -1.15 3.29 0.00 0.53 4.05 -0.87 -1.11 115.26 120.00 3h1j n ASN 53 Ca 0.18 0.94 0.00 0.00 0.45 0.00 0.00 54.58 56.15 3h1j n ASN 53 Cb 0.72 -1.35 0.00 0.00 1.23 0.00 0.00 39.78 40.39 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 4.52 0.78 0.26 8.20 0.00 -1.26 -3.96 105.19 113.72 3h1j n GLY 54 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.87 -0.31 4.61 0.00 -1.43 -1.28 119.26 119.98 3h1j h ALA 55 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.86 3h1j h ALA 55 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h1j h ALA 55 CO 0.00 -0.82 0.75 0.78 0.00 0.00 0.00 179.25 179.96 3h1j h GLY 56 N -0.84 0.00 0.70 0.00 0.00 -1.89 0.74 103.07 101.78 3h1j h GLY 56 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.92 3h1j h GLY 56 CO 0.11 0.00 -1.93 2.98 0.00 0.00 0.00 176.54 177.70 3h1j n TYR 57 N -3.01 1.23 -0.17 5.60 9.36 -1.17 -2.23 117.16 126.77 3h1j n TYR 57 Ca 0.06 0.29 -0.11 0.00 3.32 0.00 0.00 57.90 61.46 3h1j n TYR 57 Cb 0.87 -1.17 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 3h1j n TYR 57 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 3h1j h PHE 58 N 0.06 1.11 -0.35 2.98 -0.00 0.12 -2.40 116.94 118.46 3h1j h PHE 58 Ca -0.39 -0.25 -0.08 0.00 -0.00 0.00 0.00 57.97 57.25 3h1j h PHE 58 Cb 2.03 -0.27 -0.02 0.00 -0.00 0.00 0.00 35.95 37.70 3h1j h PHE 58 CO 0.06 1.06 -0.11 0.28 -0.00 0.00 0.00 178.31 179.61 3h1j h VAL 59 N 0.84 1.24 -0.68 1.41 2.07 0.08 -2.12 116.25 119.08 3h1j h VAL 59 Ca 0.12 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.60 3h1j h VAL 59 Cb 0.72 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3h1j h VAL 59 CO 0.06 0.35 0.44 -0.08 0.02 0.00 0.00 177.57 178.36 3h1j h GLU 60 N 0.55 0.89 0.00 1.57 4.81 -0.98 -0.27 114.58 121.15 3h1j h GLU 60 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3h1j h GLU 60 Cb 0.51 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3h1j h GLU 60 CO 0.03 0.59 0.00 0.72 -0.73 0.00 0.00 179.01 179.62 3h1j n HIS 61 N -4.43 0.00 0.00 0.92 8.25 -0.80 -3.43 115.22 115.73 3h1j n HIS 61 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3h1j n HIS 61 Cb 0.04 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.26 0.00 0.00 2.41 4.77 -0.20 -4.53 117.00 118.19 3h1j n LEU 62 Ca 0.09 -0.17 0.02 0.00 -0.03 0.00 0.00 56.01 55.92 3h1j n LEU 62 Cb 0.14 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.36 3h1j n LEU 62 CO 0.14 0.00 0.43 0.00 -1.33 0.00 0.00 177.39 176.63 3h1j n ALA 63 N -1.32 1.54 -0.05 -1.18 0.00 -0.69 -1.56 120.51 117.26 3h1j n ALA 63 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3h1j n ALA 63 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.15 0.00 0.75 0.00 0.99 -1.26 -4.65 117.46 112.15 3h1j n PHE 64 Ca 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.53 3h1j n PHE 64 Cb 0.03 0.00 0.16 0.00 -1.00 0.00 0.00 39.48 38.67 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 -0.55 2.00 0.00 -1.08 4.01 -0.60 -4.82 118.16 117.12 3h1j n LYS 65 Ca 0.00 -1.28 0.00 0.00 -0.51 0.00 0.00 58.31 56.52 3h1j n LYS 65 Cb 0.01 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 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 0.89 3.05 3.95 0.72 0.00 -1.26 -3.43 105.19 109.12 3h1j n GLY 66 Ca 0.12 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 3h1j n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1j s THR 67 N -2.05 1.75 0.05 2.61 -4.23 -1.05 -1.82 115.64 110.90 3h1j s THR 67 Ca 0.00 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 58.92 3h1j s THR 67 Cb 0.00 -2.10 -0.17 0.00 1.34 0.00 0.00 72.50 71.57 3h1j s THR 67 CO 0.00 0.00 1.57 0.11 -0.54 0.00 0.00 174.62 175.76 3h1j h LYS 68 N 0.56 -0.12 0.73 3.99 1.57 -1.23 -3.17 116.57 118.90 3h1j h LYS 68 Ca -0.34 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 3h1j h LYS 68 Cb 1.30 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.64 3h1j h LYS 68 CO 0.52 0.06 -0.35 0.87 -0.57 0.00 0.00 179.45 179.98 3h1j h LYS 69 N -0.27 -0.94 -3.85 3.15 1.57 -1.95 -3.39 116.57 110.88 3h1j h LYS 69 Ca -0.01 0.06 -0.70 0.00 -1.87 0.00 0.00 60.65 58.13 3h1j h LYS 69 Cb 0.23 0.21 -0.35 0.00 0.08 0.00 0.00 32.23 32.40 3h1j h LYS 69 CO 0.02 -0.61 -0.41 -0.98 -0.57 0.00 0.00 179.45 176.90 3h1j s ARG 70 N -5.71 2.42 0.83 3.15 1.70 -1.23 -5.08 118.95 115.03 3h1j s ARG 70 Ca -0.17 -2.32 -0.10 0.00 -0.47 0.00 0.00 55.73 52.67 3h1j s ARG 70 Cb 0.03 -3.70 0.15 0.00 -0.57 0.00 0.00 34.95 30.86 3h1j s ARG 70 CO 0.58 -1.15 0.35 -0.35 -1.08 0.00 0.00 175.30 173.65 3h1j n PRO 71 N 3.82 -0.96 0.00 3.89 -0.04 -1.20 -2.54 135.00 137.98 3h1j n PRO 71 Ca 0.05 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 3h1j n PRO 71 Cb 0.39 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.16 0.62 -0.73 0.00 0.00 -1.90 0.37 119.26 115.46 3h1j h ALA 73 Ca 0.00 0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.29 3h1j h ALA 73 Cb 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 17.79 18.05 3h1j h ALA 73 CO 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 179.25 178.86 3h1j h ALA 74 N 1.62 0.76 0.31 0.00 0.00 -1.73 0.92 119.26 121.14 3h1j h ALA 74 Ca 0.35 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 3h1j h ALA 74 Cb 0.57 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h1j h ALA 74 CO -0.60 -0.41 -0.15 0.35 0.00 0.00 0.00 179.25 178.44 3h1j h PHE 75 N 0.11 -0.39 -0.46 0.00 3.57 0.15 -2.18 116.94 117.75 3h1j h PHE 75 Ca 0.40 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.98 3h1j h PHE 75 Cb 0.69 0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.46 3h1j h PHE 75 CO -0.40 -0.24 -0.20 0.93 -2.23 0.00 0.00 178.31 176.17 3h1j h GLU 76 N -0.60 -0.10 0.07 1.11 5.08 -0.81 -0.25 114.58 119.08 3h1j h GLU 76 Ca -0.04 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3h1j h GLU 76 Cb 0.32 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3h1j h GLU 76 CO 0.07 -0.06 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.46 3h1j h LYS 77 N -0.10 -0.52 -0.98 2.33 3.64 0.76 1.32 116.57 123.02 3h1j h LYS 77 Ca 0.22 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.78 3h1j h LYS 77 Cb 0.44 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 3h1j h LYS 77 CO -0.53 -0.34 0.62 1.49 -2.27 0.00 0.00 179.45 178.42 3h1j h GLU 78 N -0.54 0.85 0.16 1.90 4.81 -0.69 -0.27 114.58 120.81 3h1j h GLU 78 Ca 0.04 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 3h1j h GLU 78 Cb 0.59 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.80 3h1j h GLU 78 CO -0.23 0.57 -0.99 0.28 -0.73 0.00 0.00 179.01 177.90 3h1j h VAL 79 N 0.88 1.42 -0.59 0.32 2.07 0.09 -3.26 116.25 117.19 3h1j h VAL 79 Ca 0.51 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 3h1j h VAL 79 Cb 0.64 3.12 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 3h1j h VAL 79 CO -0.28 0.73 0.29 -0.33 0.02 0.00 0.00 177.57 178.01 3h1j h GLU 80 N -0.28 0.84 0.00 1.57 5.08 0.19 -2.82 114.58 119.15 3h1j h GLU 80 Ca -0.18 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3h1j h GLU 80 Cb 1.74 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3h1j h GLU 80 CO 0.16 0.67 0.00 -1.13 -1.00 0.00 0.00 179.01 177.71 3h1j n SER 81 N -4.55 0.56 -1.49 1.42 3.41 -0.13 -1.97 113.62 110.88 3h1j n SER 81 Ca 0.04 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.41 3h1j n SER 81 Cb 0.11 -0.79 0.34 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.17 4.03 -2.74 4.33 0.00 -1.07 -4.94 117.12 114.56 3h1j n MET 82 Ca 0.01 -2.98 -0.20 0.00 0.00 0.00 0.00 57.70 54.52 3h1j n MET 82 Cb 0.14 -2.04 0.01 0.00 0.00 0.00 0.00 33.22 31.33 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 0.34 -0.51 3.84 3.17 0.00 -0.83 -4.79 105.19 106.41 3h1j n GLY 83 Ca 0.25 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.99 3.72 -0.21 4.61 0.00 -1.17 -4.84 121.76 120.88 3h1j s ALA 84 Ca 0.16 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 3h1j s ALA 84 Cb -0.07 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3h1j s ALA 84 CO 0.19 0.66 -0.10 -1.01 0.00 0.00 0.00 175.76 175.51 3h1j s HIS 85 N -1.57 2.93 -0.05 0.00 0.09 -0.57 -4.59 115.29 111.52 3h1j s HIS 85 Ca 0.32 -1.33 0.01 0.00 -0.00 0.00 0.00 55.06 54.05 3h1j s HIS 85 Cb -0.12 -2.03 -0.03 0.00 -0.00 0.00 0.00 32.58 30.40 3h1j s HIS 85 CO 0.25 -0.68 -0.06 0.12 -0.00 0.00 0.00 174.74 174.37 3h1j s PHE 86 N 1.38 2.96 -0.18 1.40 2.19 -1.26 -0.17 117.98 124.30 3h1j s PHE 86 Ca 0.04 0.04 -0.35 0.00 0.33 0.00 0.00 56.93 56.98 3h1j s PHE 86 Cb -0.14 -1.70 0.14 0.00 -1.31 0.00 0.00 43.02 40.01 3h1j s PHE 86 CO -0.07 0.36 1.31 1.21 1.83 0.00 0.00 175.22 179.86 3h1j s ASN 87 N -0.97 -0.07 0.00 6.13 2.47 -0.89 -5.03 114.94 116.58 3h1j s ASN 87 Ca 0.14 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.39 3h1j s ASN 87 Cb -0.11 0.09 0.00 0.00 -1.45 0.00 0.00 41.25 39.78 3h1j s ASN 87 CO 0.03 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.87 3h1j n GLY 88 N -0.18 3.00 3.81 1.21 0.00 -1.26 -1.59 105.19 110.17 3h1j n GLY 88 Ca -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.46 -0.02 -0.23 1.61 -0.85 -0.19 -4.99 117.35 110.21 3h1j s TYR 89 Ca 0.00 -0.31 -0.03 0.00 -0.52 0.00 0.00 57.07 56.21 3h1j s TYR 89 Cb 0.00 0.66 0.12 0.00 0.38 0.00 0.00 41.96 43.12 3h1j s TYR 89 CO 0.00 -0.83 0.35 -0.08 -1.52 0.00 0.00 175.55 173.48 3h1j s THR 90 N -2.67 -0.56 0.00 -3.49 -1.32 -1.26 -1.21 115.64 105.13 3h1j s THR 90 Ca 0.17 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 3h1j s THR 90 Cb -0.01 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 3h1j s THR 90 CO 0.03 -0.12 0.00 -1.54 -2.21 0.00 0.00 174.62 170.78 3h1j n SER 91 N 5.36 0.00 0.00 8.08 3.41 0.11 -4.94 113.62 125.65 3h1j n SER 91 Ca -0.04 -0.11 -0.18 0.00 -0.26 0.00 0.00 58.87 58.27 3h1j n SER 91 Cb 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.73 0.00 4.33 3.08 -1.93 -2.91 114.38 117.68 3h1j h ARG 92 Ca 0.00 -0.68 -0.07 0.00 0.07 0.00 0.00 59.98 59.31 3h1j h ARG 92 Cb 0.00 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 30.07 3h1j h ARG 92 CO 0.00 1.27 -0.64 -0.85 -1.07 0.00 0.00 179.97 178.68 3h1j n GLU 93 N -3.93 0.39 -3.68 0.04 0.28 -1.26 0.16 120.64 112.64 3h1j n GLU 93 Ca -0.09 -1.92 -0.09 0.00 -0.16 0.00 0.00 57.16 54.90 3h1j n GLU 93 Cb 0.79 -0.60 -0.09 0.00 1.43 0.00 0.00 31.44 32.96 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 -0.84 0.47 0.13 3.44 0.74 -0.76 -3.95 119.66 118.89 3h1j s GLN 94 Ca 0.22 0.95 0.11 0.00 0.05 0.00 0.00 55.36 56.69 3h1j s GLN 94 Cb 0.24 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 3h1j s GLN 94 CO -0.07 -0.17 -0.26 0.99 -0.55 0.00 0.00 175.29 175.23 3h1j s THR 95 N 1.67 2.19 -0.05 -0.34 2.01 0.25 0.10 115.64 121.47 3h1j s THR 95 Ca -0.09 -1.76 -0.12 0.00 0.31 0.00 0.00 61.69 60.03 3h1j s THR 95 Cb -0.08 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.50 3h1j s THR 95 CO -0.15 0.04 0.28 0.00 -0.69 0.00 0.00 174.62 174.11 3h1j s ALA 96 N -1.15 -0.71 -0.05 7.40 0.00 -0.35 -1.18 121.76 125.72 3h1j s ALA 96 Ca 0.14 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 3h1j s ALA 96 Cb -0.10 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.89 3h1j s ALA 96 CO 0.06 -0.20 0.02 -0.06 0.00 0.00 0.00 175.76 175.58 3h1j s PHE 97 N -0.71 0.39 0.06 0.00 0.40 -0.93 -1.02 117.98 116.16 3h1j s PHE 97 Ca -0.08 0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.17 3h1j s PHE 97 Cb -0.04 -0.61 0.00 0.00 0.51 0.00 0.00 43.02 42.88 3h1j s PHE 97 CO 0.02 -0.24 0.19 1.52 0.70 0.00 0.00 175.22 177.42 3h1j s TYR 98 N 1.83 0.09 0.13 0.36 -0.85 -0.62 -0.37 117.35 117.92 3h1j s TYR 98 Ca 0.02 -0.38 0.11 0.00 -0.52 0.00 0.00 57.07 56.29 3h1j s TYR 98 Cb -0.12 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 3h1j s TYR 98 CO -0.04 -0.47 -0.26 0.42 -1.52 0.00 0.00 175.55 173.69 3h1j s ILE 99 N -3.00 2.17 -0.36 -3.49 1.01 0.94 -2.10 121.20 116.36 3h1j s ILE 99 Ca -0.02 -1.74 -0.01 0.00 0.00 0.00 0.00 60.65 58.88 3h1j s ILE 99 Cb 0.01 -1.93 0.09 0.00 0.01 0.00 0.00 42.46 40.64 3h1j s ILE 99 CO -0.06 0.05 0.10 -0.54 0.00 0.00 0.00 174.94 174.49 3h1j s LYS 100 N -2.08 2.02 0.22 2.79 1.02 0.77 -1.61 119.74 122.86 3h1j s LYS 100 Ca 0.13 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.46 3h1j s LYS 100 Cb -0.10 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3h1j s LYS 100 CO 0.06 -0.90 0.10 0.00 -0.92 0.00 0.00 175.35 173.69 3h1j s ALA 101 N 1.12 1.45 0.21 5.17 0.00 -0.97 -1.51 121.76 127.23 3h1j s ALA 101 Ca 0.04 -1.77 -0.31 0.00 0.00 0.00 0.00 51.96 49.93 3h1j s ALA 101 Cb -0.21 1.13 -0.10 0.00 0.00 0.00 0.00 23.12 23.93 3h1j s ALA 101 CO -0.04 -0.50 1.53 -0.51 0.00 0.00 0.00 175.76 176.24 3h1j s LEU 102 N -3.23 4.37 0.59 0.00 1.43 -1.26 -0.37 118.68 120.21 3h1j s LEU 102 Ca 0.37 2.67 0.31 0.00 -1.03 0.00 0.00 54.13 56.45 3h1j s LEU 102 Cb 0.07 -3.61 1.27 0.00 0.03 0.00 0.00 46.19 43.96 3h1j s LEU 102 CO 0.12 -0.79 1.60 0.28 0.23 0.00 0.00 176.35 177.79 3h1j h SER 103 N 5.98 0.00 -0.02 2.29 0.02 -0.94 0.67 113.55 121.55 3h1j h SER 103 Ca -0.44 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 3h1j h SER 103 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3h1j h SER 103 CO 0.85 0.00 -0.08 0.50 -1.14 0.00 0.00 176.83 176.96 3h1j h LYS 104 N 0.00 -0.13 0.00 3.45 3.64 -1.86 -2.46 116.57 119.21 3h1j h LYS 104 Ca 0.44 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3h1j h LYS 104 Cb 2.28 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 34.13 3h1j h LYS 104 CO -0.00 -0.09 0.00 -0.25 -2.27 0.00 0.00 179.45 176.84 3h1j n ASP 105 N -5.21 0.00 -0.28 4.20 8.00 0.23 -4.39 116.55 119.11 3h1j n ASP 105 Ca -0.06 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3h1j n ASP 105 Cb 0.13 0.00 0.05 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 -0.85 -0.15 0.14 -1.24 0.00 -0.93 -0.75 117.12 113.34 3h1j n MET 106 Ca 0.13 1.14 -0.01 0.00 -0.00 0.00 0.00 57.70 58.95 3h1j n MET 106 Cb 0.06 -1.69 0.18 0.00 0.00 0.00 0.00 33.22 31.77 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 0.02 -0.02 2.12 0.13 -1.85 -3.06 132.00 129.34 3h1j h PRO 107 Ca 0.28 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 65.23 3h1j h PRO 107 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3h1j h PRO 107 CO -0.74 0.61 -0.76 -0.22 -0.23 0.00 0.00 178.00 176.66 3h1j h LYS 108 N 0.01 0.17 0.04 0.86 1.63 -1.27 -3.09 116.57 114.93 3h1j h LYS 108 Ca -0.01 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3h1j h LYS 108 Cb 1.05 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 3h1j h LYS 108 CO 0.08 0.85 -0.02 0.28 -3.45 0.00 0.00 179.45 177.18 3h1j h VAL 109 N 0.11 1.06 -0.95 2.00 2.07 -1.33 -1.55 116.25 117.66 3h1j h VAL 109 Ca -0.02 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 67.33 3h1j h VAL 109 Cb 1.33 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 32.29 3h1j h VAL 109 CO 0.11 0.09 0.55 0.58 0.02 0.00 0.00 177.57 178.92 3h1j h VAL 110 N -0.21 0.72 -0.11 2.57 2.07 -1.55 0.64 116.25 120.39 3h1j h VAL 110 Ca -0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3h1j h VAL 110 Cb 0.19 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3h1j h VAL 110 CO 0.01 0.13 0.05 -0.08 0.02 0.00 0.00 177.57 177.70 3h1j h GLU 111 N 0.73 0.11 -0.19 1.57 4.81 -1.39 0.24 114.58 120.46 3h1j h GLU 111 Ca 0.53 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.77 3h1j h GLU 111 Cb 0.79 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3h1j h GLU 111 CO -0.37 0.07 0.09 -0.07 -0.73 0.00 0.00 179.01 178.00 3h1j h LEU 112 N 0.11 0.12 0.06 1.64 3.38 0.58 -0.38 115.31 120.83 3h1j h LEU 112 Ca 0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3h1j h LEU 112 Cb 0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3h1j h LEU 112 CO -0.03 0.10 -0.31 -0.07 0.09 0.00 0.00 178.44 178.22 3h1j h LEU 113 N 0.19 -0.90 -0.74 1.67 3.38 0.37 -1.60 115.31 117.68 3h1j h LEU 113 Ca 0.08 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.30 3h1j h LEU 113 Cb 0.03 0.35 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3h1j h LEU 113 CO -0.06 -0.38 0.29 0.00 0.09 0.00 0.00 178.44 178.38 3h1j h ALA 114 N 0.21 1.03 0.00 1.53 0.00 -0.70 0.22 119.26 121.55 3h1j h ALA 114 Ca 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h1j h ALA 114 Cb 0.55 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h1j h ALA 114 CO -0.22 -0.20 -0.07 0.22 0.00 0.00 0.00 179.25 178.98 3h1j h ASP 115 N 0.44 0.00 0.00 0.00 3.58 -0.16 -2.13 116.42 118.16 3h1j h ASP 115 Ca 0.40 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.82 3h1j h ASP 115 Cb 0.60 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 3h1j h ASP 115 CO -0.39 0.07 -0.20 0.58 -2.88 0.00 0.00 179.24 176.42 3h1j h VAL 116 N 0.00 0.91 0.00 2.25 2.07 -0.14 -1.79 116.25 119.54 3h1j h VAL 116 Ca -0.00 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3h1j h VAL 116 Cb 0.24 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3h1j h VAL 116 CO 0.01 0.31 -0.07 -0.37 0.02 0.00 0.00 177.57 177.47 3h1j h VAL 117 N -1.00 0.37 0.00 2.57 -1.51 -1.43 -3.24 116.25 112.01 3h1j h VAL 117 Ca -0.04 -0.38 -0.36 0.00 -1.23 0.00 0.00 66.70 64.69 3h1j h VAL 117 Cb 0.65 1.27 -0.05 0.00 -2.13 0.00 0.00 31.29 31.02 3h1j h VAL 117 CO -0.03 0.07 -2.18 0.00 -1.23 0.00 0.00 177.57 174.20 3h1j n GLN 118 N -3.47 0.49 -2.02 5.19 6.02 -0.80 -4.79 117.38 118.00 3h1j n GLN 118 Ca -0.02 0.22 -0.33 0.00 -0.01 0.00 0.00 57.00 56.85 3h1j n GLN 118 Cb 0.20 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.16 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 -4.08 6.40 -4.70 1.08 3.02 -0.67 -5.02 115.26 111.28 3h1j n ASN 119 Ca -0.43 -3.79 -0.42 0.00 -0.03 0.00 0.00 54.58 49.91 3h1j n ASN 119 Cb 0.79 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 7.78 0.18 -5.80 0.00 0.00 -1.57 -3.43 119.26 116.42 3h1j h ALA 121 Ca -0.43 0.08 -0.39 0.00 0.00 0.00 0.00 54.91 54.16 3h1j h ALA 121 Cb 1.21 0.14 0.14 0.00 0.00 0.00 0.00 17.79 19.28 3h1j h ALA 121 CO 0.93 -0.45 -0.68 1.28 0.00 0.00 0.00 179.25 180.33 3h1j n LEU 122 N -5.18 -3.46 -4.47 0.00 4.77 -1.26 -4.81 117.00 102.59 3h1j n LEU 122 Ca -0.02 -0.54 -0.49 0.00 -0.03 0.00 0.00 56.01 54.93 3h1j n LEU 122 Cb 0.13 -3.03 -0.06 0.00 -2.33 0.00 0.00 43.42 38.12 3h1j n LEU 122 CO 0.24 0.63 1.81 1.21 -1.33 0.00 0.00 177.39 179.96 3h1j n GLU 123 N -4.91 1.25 0.00 3.23 4.07 -1.26 -4.75 120.64 118.27 3h1j n GLU 123 Ca -0.02 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 3h1j n GLU 123 Cb 0.57 -2.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.33 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 8.32 0.00 -0.01 5.31 2.13 -1.26 0.16 120.64 135.29 3h1j n GLU 124 Ca 0.39 0.28 -0.20 0.00 0.66 0.00 0.00 57.16 58.29 3h1j n GLU 124 Cb 0.27 -1.68 -0.14 0.00 0.27 0.00 0.00 31.44 30.17 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 0.31 -0.46 4.31 0.02 -2.01 -3.32 113.55 112.40 3h1j h SER 125 Ca 0.00 -0.84 -0.05 0.00 -0.84 0.00 0.00 61.79 60.06 3h1j h SER 125 Cb 0.36 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3h1j h SER 125 CO 0.00 1.51 0.09 -0.61 -1.14 0.00 0.00 176.83 176.67 3h1j h GLN 126 N -0.47 0.74 -0.63 3.45 5.75 -0.65 -3.11 115.11 120.19 3h1j h GLN 126 Ca -0.25 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 58.16 3h1j h GLN 126 Cb 1.61 -0.09 -0.12 0.00 1.07 0.00 0.00 27.48 29.95 3h1j h GLN 126 CO 0.04 0.75 -0.35 0.82 -2.65 0.00 0.00 178.83 177.44 3h1j h ILE 127 N 0.61 0.14 0.00 2.39 2.04 -1.39 0.54 117.51 121.85 3h1j h ILE 127 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 3h1j h ILE 127 Cb 0.36 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3h1j h ILE 127 CO 0.01 0.00 -0.00 -0.33 0.00 0.00 0.00 178.15 177.82 3h1j h GLU 128 N -0.15 0.00 0.01 2.37 4.39 -1.64 -0.09 114.58 119.48 3h1j h GLU 128 Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 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 -0.71 0.00 -0.01 -0.22 -1.16 0.00 0.00 179.01 176.91 3h1j h LYS 129 N 0.00 -0.02 -0.42 2.33 3.64 -0.05 -3.26 116.57 118.79 3h1j h LYS 129 Ca -0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3h1j h LYS 129 Cb 0.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3h1j h LYS 129 CO 0.00 0.62 0.29 0.93 -2.27 0.00 0.00 179.45 179.02 3h1j h GLU 130 N -0.98 0.13 -0.56 1.90 4.39 -0.62 0.39 114.58 119.23 3h1j h GLU 130 Ca -0.00 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.75 3h1j h GLU 130 Cb 0.64 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 3h1j h GLU 130 CO 0.00 0.08 0.26 -0.09 -1.16 0.00 0.00 179.01 178.10 3h1j h ARG 131 N 0.13 0.47 0.00 2.33 2.43 -1.08 0.22 114.38 118.88 3h1j h ARG 131 Ca 0.20 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3h1j h ARG 131 Cb 0.61 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3h1j h ARG 131 CO -0.02 0.31 -0.35 0.78 -1.51 0.00 0.00 179.97 179.18 3h1j h GLY 132 N 0.49 0.00 0.37 2.80 0.00 -0.99 -2.53 103.07 103.21 3h1j h GLY 132 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3h1j h GLY 132 CO -0.21 0.00 -0.06 -2.08 0.00 0.00 0.00 176.54 174.20 3h1j h VAL 133 N 0.00 1.04 -0.26 4.60 2.07 -0.27 -2.33 116.25 121.10 3h1j h VAL 133 Ca -0.00 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.36 3h1j h VAL 133 Cb 0.83 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 3h1j h VAL 133 CO 0.05 0.27 -0.09 0.40 0.02 0.00 0.00 177.57 178.21 3h1j h ILE 134 N -0.78 0.68 -0.88 4.57 2.04 -0.69 0.24 117.51 122.69 3h1j h ILE 134 Ca -0.02 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.06 3h1j h ILE 134 Cb 0.55 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3h1j h ILE 134 CO 0.03 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.70 3h1j h LEU 135 N -0.04 0.29 -0.00 1.44 3.38 -1.50 0.68 115.31 119.55 3h1j h LEU 135 Ca 0.13 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 3h1j h LEU 135 Cb 0.24 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.99 3h1j h LEU 135 CO -0.29 0.11 -0.85 -0.61 0.09 0.00 0.00 178.44 176.89 3h1j h GLN 136 N 0.28 0.58 0.00 1.13 5.75 -0.20 -3.03 115.11 119.63 3h1j h GLN 136 Ca 0.45 -0.62 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 3h1j h GLN 136 Cb 1.29 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 30.01 3h1j h GLN 136 CO -0.13 1.23 -0.21 0.93 -2.65 0.00 0.00 178.83 178.01 3h1j h GLU 137 N 0.18 0.00 0.01 1.69 5.08 0.14 -2.41 114.58 119.27 3h1j h GLU 137 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3h1j h GLU 137 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3h1j h GLU 137 CO 0.17 0.21 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.32 3h1j h LEU 138 N 0.00 -0.01 -0.97 1.33 3.38 -0.94 0.21 115.31 118.31 3h1j h LEU 138 Ca -0.00 -0.29 0.26 0.00 0.09 0.00 0.00 57.88 57.94 3h1j h LEU 138 Cb 0.38 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 3h1j h LEU 138 CO 0.03 0.29 0.53 0.11 0.09 0.00 0.00 178.44 179.48 3h1j h LYS 139 N -0.30 0.44 0.34 1.13 1.79 -1.32 -0.34 116.57 118.31 3h1j h LYS 139 Ca -0.00 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3h1j h LYS 139 Cb 0.30 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3h1j h LYS 139 CO 0.00 0.29 -0.16 0.93 -1.08 0.00 0.00 179.45 179.43 3h1j h GLU 140 N 0.45 -0.44 -0.25 3.15 5.08 -1.09 -3.24 114.58 118.24 3h1j h GLU 140 Ca 0.65 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 59.11 3h1j h GLU 140 Cb 1.31 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 3h1j h GLU 140 CO -0.53 -0.23 0.45 0.52 -1.00 0.00 0.00 179.01 178.22 3h1j h MET 141 N -1.08 0.00 0.00 2.33 2.86 -0.03 0.44 114.93 119.44 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 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3h1j h MET 141 CO 0.08 0.00 0.00 0.22 1.06 0.00 0.00 176.91 178.27 3h1j h ASP 142 N 0.00 0.00 -0.50 1.22 3.58 -1.10 -1.71 116.42 117.91 3h1j h ASP 142 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3h1j h ASP 142 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 3h1j h ASP 142 CO -0.00 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 176.95 3h1j n ASN 143 N -2.82 4.10 -4.15 2.28 3.02 0.15 -4.63 115.26 113.22 3h1j n ASN 143 Ca 0.01 -2.45 -0.39 0.00 -0.03 0.00 0.00 54.58 51.72 3h1j n ASN 143 Cb 0.26 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.76 5.76 0.30 6.41 -1.08 -0.64 -4.94 116.67 121.72 3h1j s ASP 144 Ca 0.41 -3.07 -0.01 0.00 -0.52 0.00 0.00 52.55 49.36 3h1j s ASP 144 Cb 0.28 -1.94 0.67 0.00 -1.46 0.00 0.00 42.92 40.46 3h1j s ASP 144 CO 0.18 -0.35 1.56 0.23 0.52 0.00 0.00 175.17 177.30 3h1j n MET 145 N 3.25 -0.08 -0.23 4.34 2.81 -1.26 0.25 117.12 126.19 3h1j n MET 145 Ca 0.13 1.51 -0.00 0.00 -1.81 0.00 0.00 57.70 57.53 3h1j n MET 145 Cb 0.39 -2.36 0.12 0.00 -0.71 0.00 0.00 33.22 30.66 3h1j n MET 145 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3h1j h THR 146 N 0.00 0.89 0.56 2.03 2.02 -1.95 0.26 112.91 116.73 3h1j h THR 146 Ca 0.57 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.51 3h1j h THR 146 Cb 1.08 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3h1j h THR 146 CO -0.97 0.11 -0.27 0.78 0.37 0.00 0.00 175.52 175.55 3h1j h ASN 147 N 0.62 -0.64 -0.92 4.18 2.35 -0.52 -2.07 115.58 118.56 3h1j h ASN 147 Ca 0.32 -0.04 0.27 0.00 -0.55 0.00 0.00 56.30 56.30 3h1j h ASN 147 Cb 0.28 0.17 -0.16 0.00 0.05 0.00 0.00 38.32 38.66 3h1j h ASN 147 CO -0.23 -0.26 0.20 0.58 -1.65 0.00 0.00 177.43 176.07 3h1j h VAL 148 N -1.09 0.19 -0.39 2.81 2.07 -0.90 0.85 116.25 119.79 3h1j h VAL 148 Ca -0.08 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3h1j h VAL 148 Cb 0.64 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3h1j h VAL 148 CO 0.13 0.02 -0.10 0.74 0.02 0.00 0.00 177.57 178.38 3h1j h THR 149 N 0.12 1.25 0.15 2.57 2.02 -0.34 -1.07 112.91 117.60 3h1j h THR 149 Ca 0.60 -1.10 -0.29 0.00 0.77 0.00 0.00 66.41 66.40 3h1j h THR 149 Cb 1.28 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3h1j h THR 149 CO -0.75 0.37 -1.32 -0.26 0.37 0.00 0.00 175.52 173.93 3h1j h PHE 150 N 0.62 0.57 0.23 3.16 -1.00 -0.19 -0.84 116.94 119.48 3h1j h PHE 150 Ca 0.11 -0.41 -0.01 0.00 2.81 0.00 0.00 57.97 60.47 3h1j h PHE 150 Cb 0.54 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 3h1j h PHE 150 CO 0.02 1.34 -0.15 -0.44 -1.61 0.00 0.00 178.31 177.47 3h1j h ASP 151 N 0.08 -0.38 -0.75 2.17 3.32 -1.01 0.12 116.42 119.97 3h1j h ASP 151 Ca -0.17 0.03 0.08 0.00 0.02 0.00 0.00 57.03 56.99 3h1j h ASP 151 Cb 2.01 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 41.61 3h1j h ASP 151 CO 0.21 -0.24 0.42 1.88 -1.72 0.00 0.00 179.24 179.79 3h1j h TYR 152 N -0.37 0.76 -0.28 4.55 0.99 -1.24 0.76 116.97 122.14 3h1j h TYR 152 Ca -0.02 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.80 3h1j h TYR 152 Cb 0.32 -0.23 -0.07 0.00 1.00 0.00 0.00 36.73 37.75 3h1j h TYR 152 CO -0.10 0.33 -0.17 1.25 -0.00 0.00 0.00 178.16 179.47 3h1j h LEU 153 N 0.73 -0.56 -0.67 3.88 5.85 -0.26 0.04 115.31 124.33 3h1j h LEU 153 Ca 0.35 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 59.14 3h1j h LEU 153 Cb 0.29 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3h1j h LEU 153 CO -0.22 -0.21 0.21 0.45 -0.34 0.00 0.00 178.44 178.33 3h1j h HIS 154 N -0.14 1.07 -0.95 1.25 3.86 0.35 0.16 115.15 120.76 3h1j h HIS 154 Ca 0.15 -0.11 0.23 0.00 -1.16 0.00 0.00 60.37 59.48 3h1j h HIS 154 Cb 0.37 -0.31 -0.07 0.00 1.06 0.00 0.00 27.41 28.46 3h1j h HIS 154 CO -0.36 0.87 0.63 0.00 0.86 0.00 0.00 177.93 179.93 3h1j h ALA 155 N 1.09 2.27 0.00 2.45 0.00 0.23 0.35 119.26 125.65 3h1j h ALA 155 Ca 0.22 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 3h1j h ALA 155 Cb 0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3h1j h ALA 155 CO -0.01 -0.59 -2.09 -2.37 0.00 0.00 0.00 179.25 174.19 3h1j n THR 156 N -4.51 1.10 -0.15 0.00 5.66 -0.27 -3.04 114.28 113.06 3h1j n THR 156 Ca 0.21 -0.47 -0.00 0.00 -3.05 0.00 0.00 64.05 60.74 3h1j n THR 156 Cb 0.77 -1.08 0.26 0.00 -1.55 0.00 0.00 70.33 68.73 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 0.14 1.42 -0.22 1.79 0.00 -0.58 -2.47 119.26 119.34 3h1j h ALA 157 Ca -0.43 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3h1j h ALA 157 Cb 1.72 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3h1j h ALA 157 CO -0.05 0.48 -0.07 1.19 0.00 0.00 0.00 179.25 180.80 3h1j n PHE 158 N -4.38 0.73 -1.51 0.00 3.01 0.10 -0.70 117.46 114.71 3h1j n PHE 158 Ca 0.06 -1.21 -0.45 0.00 1.01 0.00 0.00 57.45 56.86 3h1j n PHE 158 Cb 0.10 -0.34 -0.01 0.00 -0.01 0.00 0.00 39.48 39.22 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 -0.96 0.84 -0.30 -1.08 10.64 -0.93 -1.62 117.38 123.97 3h1j n GLN 159 Ca 0.24 0.30 0.00 0.00 -1.83 0.00 0.00 57.00 55.71 3h1j n GLN 159 Cb 0.88 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 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 1.54 1.88 3.52 2.61 0.00 -1.26 -4.85 105.19 108.63 3h1j n GLY 160 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.64 -5.02 114.28 107.10 3h1j n THR 161 Ca 0.00 -2.25 -0.03 0.00 -2.27 0.00 0.00 64.05 59.50 3h1j n THR 161 Cb 0.00 0.34 0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.11 0.69 0.00 6.98 0.00 -1.90 -3.06 119.26 123.09 3h1j h ALA 162 Ca -0.39 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3h1j h ALA 162 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h1j h ALA 162 CO 0.64 0.96 0.00 1.28 0.00 0.00 0.00 179.25 182.12 3h1j n LEU 163 N -3.57 0.00 -1.15 0.00 4.77 -1.26 -2.30 117.00 113.49 3h1j n LEU 163 Ca -0.00 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 3h1j n LEU 163 Cb 0.76 -0.41 0.24 0.00 -2.33 0.00 0.00 43.42 41.68 3h1j n LEU 163 CO 0.44 -0.23 0.66 0.00 -1.33 0.00 0.00 177.39 176.93 3h1j n ALA 164 N -1.41 2.93 -2.82 -1.18 0.00 -1.15 -4.69 120.51 112.20 3h1j n ALA 164 Ca 0.04 -1.04 -0.24 0.00 0.00 0.00 0.00 53.44 52.21 3h1j n ALA 164 Cb 0.13 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.77 2.93 0.57 0.00 0.52 -0.97 -4.15 118.95 116.08 3h1j s ARG 165 Ca 0.33 -0.96 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 3h1j s ARG 165 Cb 0.22 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 3h1j s ARG 165 CO 0.16 0.44 0.93 0.95 0.02 0.00 0.00 175.30 177.80 3h1j s THR 166 N -1.95 4.59 0.02 0.02 -4.23 -1.26 -4.96 115.64 107.87 3h1j s THR 166 Ca 0.32 0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 61.15 3h1j s THR 166 Cb -0.09 -3.80 -0.19 0.00 1.34 0.00 0.00 72.50 69.76 3h1j s THR 166 CO 0.24 -0.94 1.19 0.58 -0.54 0.00 0.00 174.62 175.15 3h1j h VAL 167 N -0.14 1.41 0.00 2.29 2.07 -1.92 -3.19 116.25 116.78 3h1j h VAL 167 Ca -0.45 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 3h1j h VAL 167 Cb 1.21 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3h1j h VAL 167 CO 0.62 0.52 -0.01 -0.33 0.02 0.00 0.00 177.57 178.39 3h1j h GLU 168 N -0.08 0.00 0.00 1.57 3.07 -1.94 -3.37 114.58 113.83 3h1j h GLU 168 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3h1j h GLU 168 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3h1j h GLU 168 CO 0.08 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.11 3h1j n GLY 169 N -0.97 -1.18 3.84 -3.84 0.00 -1.21 -4.50 105.19 97.33 3h1j n GLY 169 Ca -0.03 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.07 4.37 0.43 2.61 2.01 -1.25 -4.94 115.64 117.80 3h1j s THR 170 Ca 0.00 1.00 0.18 0.00 0.31 0.00 0.00 61.69 63.17 3h1j s THR 170 Cb 0.00 -3.65 0.20 0.00 0.01 0.00 0.00 72.50 69.06 3h1j s THR 170 CO 0.00 -0.79 1.99 0.74 -0.69 0.00 0.00 174.62 175.88 3h1j h THR 171 N 0.32 1.00 -0.03 -0.82 2.02 -1.96 -2.21 112.91 111.24 3h1j h THR 171 Ca -0.46 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 3h1j h THR 171 Cb 1.20 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3h1j h THR 171 CO 0.60 0.19 -0.26 -0.33 0.37 0.00 0.00 175.52 176.09 3h1j h GLU 172 N 0.00 0.22 -0.96 6.66 4.39 -1.98 -2.49 114.58 120.42 3h1j h GLU 172 Ca -0.00 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.51 3h1j h GLU 172 Cb 0.36 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 3h1j h GLU 172 CO 0.02 0.89 0.63 -0.91 -1.16 0.00 0.00 179.01 178.49 3h1j h ASN 173 N -0.38 1.09 -0.46 1.42 4.21 -1.81 -0.15 115.58 119.50 3h1j h ASN 173 Ca -0.03 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.43 3h1j h ASN 173 Cb 0.96 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.87 3h1j h ASN 173 CO 0.05 0.77 0.16 0.40 -1.29 0.00 0.00 177.43 177.53 3h1j h ILE 174 N 1.28 1.22 0.00 2.81 2.04 -1.46 0.53 117.51 123.92 3h1j h ILE 174 Ca 0.36 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3h1j h ILE 174 Cb -0.11 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3h1j h ILE 174 CO -0.09 0.25 0.00 0.11 0.00 0.00 0.00 178.15 178.43 3h1j h LYS 175 N 0.61 0.00 0.00 2.37 1.57 -0.85 -3.33 116.57 116.94 3h1j h LYS 175 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3h1j h LYS 175 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3h1j h LYS 175 CO -0.01 0.00 -0.08 0.72 -0.57 0.00 0.00 179.45 179.51 3h1j n HIS 176 N -3.07 0.00 -1.54 -1.35 8.25 -0.15 -5.06 115.22 112.30 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 0.21 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.81 1.52 -4.68 2.41 4.77 0.18 -4.96 117.00 115.42 3h1j n LEU 177 Ca 0.00 0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 56.65 3h1j n LEU 177 Cb 0.00 -1.25 -0.08 0.00 -2.33 0.00 0.00 43.42 39.76 3h1j n LEU 177 CO 0.00 -2.14 -0.33 -0.89 -1.33 0.00 0.00 177.39 172.70 3h1j s THR 178 N -1.38 3.92 0.29 -5.08 2.01 -1.26 -4.99 115.64 109.16 3h1j s THR 178 Ca 0.64 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 61.52 3h1j s THR 178 Cb -0.57 -2.91 0.31 0.00 0.01 0.00 0.00 72.50 69.34 3h1j s THR 178 CO 0.56 0.02 1.65 -0.09 -0.69 0.00 0.00 174.62 176.08 3h1j h ARG 179 N 3.11 0.24 -0.69 4.92 2.43 -1.96 0.73 114.38 123.16 3h1j h ARG 179 Ca -0.48 -0.01 0.07 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 30.62 3h1j h ARG 179 CO 0.59 0.16 0.37 0.00 -1.51 0.00 0.00 179.97 179.57 3h1j h ALA 180 N 1.78 0.93 0.07 2.80 0.00 -1.98 0.19 119.26 123.06 3h1j h ALA 180 Ca 0.57 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 3h1j h ALA 180 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h1j h ALA 180 CO -0.63 0.01 -0.03 -0.44 0.00 0.00 0.00 179.25 178.16 3h1j h ASP 181 N 0.66 -0.08 -0.78 0.00 5.19 0.05 0.54 116.42 122.00 3h1j h ASP 181 Ca 0.32 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.69 3h1j h ASP 181 Cb 0.26 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.75 3h1j h ASP 181 CO -0.22 0.01 0.51 -0.07 -3.12 0.00 0.00 179.24 176.35 3h1j h LEU 182 N -0.16 0.88 0.37 1.55 3.38 -0.89 -0.60 115.31 119.84 3h1j h LEU 182 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h1j h LEU 182 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3h1j h LEU 182 CO 0.02 0.63 -0.30 0.00 0.09 0.00 0.00 178.44 178.87 3h1j h ALA 183 N 1.52 -1.05 -0.80 1.53 0.00 0.28 -2.22 119.26 118.52 3h1j h ALA 183 Ca 0.29 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3h1j h ALA 183 Cb -0.09 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3h1j h ALA 183 CO -0.07 -1.05 0.53 0.66 0.00 0.00 0.00 179.25 179.32 3h1j h SER 184 N -0.66 0.88 -0.32 0.00 4.64 -0.72 -1.77 113.55 115.59 3h1j h SER 184 Ca -0.05 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 3h1j h SER 184 Cb 0.55 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 62.35 3h1j h SER 184 CO 0.00 0.61 -0.31 0.22 -0.87 0.00 0.00 176.83 176.48 3h1j h TYR 185 N 1.02 -0.86 -0.38 4.77 3.20 -0.95 0.60 116.97 124.38 3h1j h TYR 185 Ca 0.31 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.28 3h1j h TYR 185 Cb -0.02 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3h1j h TYR 185 CO -0.00 -0.38 0.12 0.82 -1.64 0.00 0.00 178.16 177.09 3h1j h ILE 186 N -0.28 0.88 -0.70 1.81 2.04 -0.72 -1.13 117.51 119.40 3h1j h ILE 186 Ca 0.15 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 3h1j h ILE 186 Cb 0.53 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3h1j h ILE 186 CO -0.48 0.05 0.25 0.44 0.00 0.00 0.00 178.15 178.41 3h1j h ASP 187 N 0.27 1.00 0.20 1.72 3.32 -0.39 -1.32 116.42 121.22 3h1j h ASP 187 Ca 0.17 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 3h1j h ASP 187 Cb 0.16 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3h1j h ASP 187 CO -0.19 0.92 -0.84 0.74 -1.72 0.00 0.00 179.24 178.16 3h1j h THR 188 N 1.02 1.36 0.00 0.35 2.02 0.42 -3.41 112.91 114.67 3h1j h THR 188 Ca 0.23 -2.23 -0.41 0.00 0.77 0.00 0.00 66.41 64.76 3h1j h THR 188 Cb 0.26 2.22 -0.06 0.00 -1.74 0.00 0.00 68.15 68.83 3h1j h THR 188 CO -0.01 0.68 -2.38 1.41 0.37 0.00 0.00 175.52 175.59 3h1j n HIS 189 N -3.82 0.00 -1.27 3.16 8.25 -0.45 -4.72 115.22 116.37 3h1j n HIS 189 Ca -0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.02 3h1j n HIS 189 Cb 0.78 -0.89 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 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 -4.06 1.61 -5.03 4.41 0.99 -0.50 -4.84 117.46 110.04 3h1j n PHE 190 Ca -0.48 -1.33 -0.29 0.00 -0.00 0.00 0.00 57.45 55.35 3h1j n PHE 190 Cb 0.85 -1.80 -0.16 0.00 -1.00 0.00 0.00 39.48 37.37 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 6.03 2.32 0.04 -1.08 1.02 -1.26 -4.85 119.74 121.96 3h1j s LYS 191 Ca 0.64 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.81 3h1j s LYS 191 Cb 0.10 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.48 3h1j s LYS 191 CO 0.18 0.24 0.50 0.00 -0.92 0.00 0.00 175.35 175.35 3h1j n ALA 192 N 3.26 -0.18 0.15 5.17 0.00 -1.26 0.75 120.51 128.40 3h1j n ALA 192 Ca -0.19 0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.58 3h1j n ALA 192 Cb 0.52 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.47 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 -3.97 0.12 0.00 0.00 -0.04 -1.26 -1.16 135.00 128.69 3h1j n PRO 193 Ca 0.01 0.61 0.07 0.00 -0.04 0.00 0.00 63.50 64.15 3h1j n PRO 193 Cb 0.07 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 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 -2.15 1.93 -3.89 0.54 1.74 0.23 -4.88 116.66 110.18 3h1j n ARG 194 Ca -0.01 -0.48 -0.21 0.00 -0.77 0.00 0.00 57.85 56.38 3h1j n ARG 194 Cb 0.07 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.03 3.21 -0.16 5.56 -1.94 -0.31 -1.37 119.30 122.27 3h1j s MET 195 Ca 0.10 -0.92 -0.04 0.00 -1.71 0.00 0.00 55.69 53.12 3h1j s MET 195 Cb 0.12 -2.77 0.07 0.00 2.01 0.00 0.00 34.83 34.25 3h1j s MET 195 CO 0.46 0.32 0.18 0.08 -0.01 0.00 0.00 175.02 176.05 3h1j s VAL 196 N -2.08 -0.26 -0.44 -6.03 1.01 -1.06 -3.52 120.40 108.04 3h1j s VAL 196 Ca 0.36 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 3h1j s VAL 196 Cb -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.79 3h1j s VAL 196 CO 0.28 -0.10 0.92 -0.22 0.00 0.00 0.00 175.10 175.99 3h1j s LEU 197 N 2.28 4.00 0.17 3.92 2.96 -0.19 -1.06 118.68 130.76 3h1j s LEU 197 Ca 0.05 0.24 0.11 0.00 -0.22 0.00 0.00 54.13 54.30 3h1j s LEU 197 Cb -0.15 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 3h1j s LEU 197 CO -0.09 -1.00 -0.21 0.00 -1.32 0.00 0.00 176.35 173.73 3h1j s ALA 198 N 3.67 2.60 0.05 5.97 0.00 -0.14 -0.42 121.76 133.49 3h1j s ALA 198 Ca 0.37 -1.55 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 3h1j s ALA 198 Cb -0.11 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3h1j s ALA 198 CO 0.24 0.47 0.35 0.00 0.00 0.00 0.00 175.76 176.82 3h1j s ALA 199 N -1.52 -0.82 -0.14 0.00 0.00 -0.56 -1.17 121.76 117.54 3h1j s ALA 199 Ca 0.20 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 3h1j s ALA 199 Cb -0.09 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.42 3h1j s ALA 199 CO 0.10 -0.44 0.38 0.00 0.00 0.00 0.00 175.76 175.80 3h1j s ALA 200 N -2.58 -0.94 0.00 0.00 0.00 -0.12 -1.95 121.76 116.17 3h1j s ALA 200 Ca -0.05 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3h1j s ALA 200 Cb -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3h1j s ALA 200 CO -0.03 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3h1j n GLY 201 N 2.90 0.55 3.53 0.00 0.00 -1.06 -1.78 105.19 109.33 3h1j n GLY 201 Ca -0.13 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 1.93 -0.04 -0.02 0.00 -0.09 0.19 107.32 109.29 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 2.46 0.11 -0.42 0.00 0.00 0.00 173.10 175.25 3h1j s ILE 203 N 3.21 0.01 -0.13 0.90 1.01 -1.26 -4.67 121.20 120.27 3h1j s ILE 203 Ca 0.49 -0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.80 3h1j s ILE 203 Cb 0.01 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 3h1j s ILE 203 CO 0.04 -0.04 0.85 -0.55 0.00 0.00 0.00 174.94 175.24 3h1j s SER 204 N -0.09 7.03 0.21 3.58 0.15 -1.26 -4.63 113.70 118.69 3h1j s SER 204 Ca -0.02 1.26 -0.09 0.00 0.70 0.00 0.00 55.95 57.80 3h1j s SER 204 Cb -0.02 -2.47 0.22 0.00 -1.71 0.00 0.00 66.02 62.05 3h1j s SER 204 CO 0.00 -0.35 1.84 -0.74 1.20 0.00 0.00 173.24 175.19 3h1j h HIS 205 N 7.18 0.83 0.20 3.44 2.76 -1.98 0.24 115.15 127.82 3h1j h HIS 205 Ca -0.32 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 3h1j h HIS 205 Cb 1.15 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 3h1j h HIS 205 CO 0.70 0.45 -0.11 -0.22 -1.30 0.00 0.00 177.93 177.46 3h1j h LYS 206 N 0.85 -0.28 -0.92 5.26 3.64 -1.99 0.83 116.57 123.95 3h1j h LYS 206 Ca 0.30 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.80 3h1j h LYS 206 Cb 0.07 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 3h1j h LYS 206 CO -0.13 -0.19 0.57 0.93 -2.27 0.00 0.00 179.45 178.35 3h1j h GLU 207 N -0.29 0.92 -0.16 1.90 5.08 -1.80 -1.16 114.58 119.06 3h1j h GLU 207 Ca -0.02 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3h1j h GLU 207 Cb 0.24 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3h1j h GLU 207 CO 0.03 0.61 0.02 1.25 -1.00 0.00 0.00 179.01 179.92 3h1j h LEU 208 N 0.94 -0.02 -1.03 1.33 5.85 0.32 -2.43 115.31 120.27 3h1j h LEU 208 Ca 0.44 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 59.10 3h1j h LEU 208 Cb 0.37 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3h1j h LEU 208 CO -0.24 0.02 -0.42 1.62 -0.34 0.00 0.00 178.44 179.07 3h1j h VAL 209 N 0.08 1.11 -0.40 1.05 3.04 -0.06 -1.71 116.25 119.36 3h1j h VAL 209 Ca 0.07 -1.56 -0.10 0.00 -1.01 0.00 0.00 66.70 64.10 3h1j h VAL 209 Cb 0.07 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 3h1j h VAL 209 CO -0.10 0.42 -0.13 0.44 -1.01 0.00 0.00 177.57 177.18 3h1j h ASP 210 N 0.00 0.81 -0.68 3.17 3.32 -1.00 0.05 116.42 122.08 3h1j h ASP 210 Ca -0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 3h1j h ASP 210 Cb 0.86 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3h1j h ASP 210 CO 0.06 1.01 0.25 0.00 -1.72 0.00 0.00 179.24 178.83 3h1j h ALA 211 N 0.83 1.12 0.10 3.45 0.00 -1.27 -1.74 119.26 121.75 3h1j h ALA 211 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h1j h ALA 211 Cb 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h1j h ALA 211 CO 0.05 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 3h1j h ALA 212 N 1.25 -0.13 -0.94 0.00 0.00 -0.90 -2.39 119.26 116.15 3h1j h ALA 212 Ca 0.23 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.25 3h1j h ALA 212 Cb 0.24 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 3h1j h ALA 212 CO -0.01 -0.56 0.55 0.00 0.00 0.00 0.00 179.25 179.23 3h1j h ARG 213 N -0.16 0.77 0.12 0.00 3.08 -0.59 0.22 114.38 117.83 3h1j h ARG 213 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3h1j h ARG 213 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3h1j h ARG 213 CO 0.02 0.51 -0.06 0.37 -1.07 0.00 0.00 179.97 179.74 3h1j h GLN 214 N 0.80 -0.16 0.00 0.04 4.15 -0.82 -3.35 115.11 115.77 3h1j h GLN 214 Ca 0.50 0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.75 3h1j h GLN 214 Cb 0.64 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 3h1j h GLN 214 CO -0.33 0.09 -2.14 0.72 -1.93 0.00 0.00 178.83 175.24 3h1j n HIS 215 N -5.06 0.00 -2.30 3.99 8.25 -1.05 -4.44 115.22 114.62 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 0.18 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.57 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 -2.48 2.65 -2.55 4.41 0.99 0.75 -4.75 117.46 116.49 3h1j n PHE 216 Ca -0.18 -2.73 -0.37 0.00 -0.00 0.00 0.00 57.45 54.17 3h1j n PHE 216 Cb 0.85 -1.66 0.01 0.00 -1.00 0.00 0.00 39.48 37.68 3h1j n PHE 216 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3h1j n SER 217 N 1.69 6.67 -4.78 4.37 3.41 -1.25 -4.57 113.62 119.15 3h1j n SER 217 Ca 0.51 -3.72 -0.33 0.00 -0.26 0.00 0.00 58.87 55.07 3h1j n SER 217 Cb 0.28 -0.99 0.03 0.00 -0.26 0.00 0.00 64.21 63.27 3h1j n SER 217 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h1j s GLY 218 N -1.85 2.22 0.07 5.00 0.00 -1.26 -5.04 107.32 106.46 3h1j s GLY 218 Ca 0.44 0.55 0.07 0.00 0.00 0.00 0.00 44.72 45.77 3h1j s GLY 218 CO -0.19 0.89 -0.13 0.14 0.00 0.00 0.00 173.10 173.81 3h1j s VAL 219 N -2.28 3.17 -0.14 1.40 1.01 -1.26 -4.47 120.40 117.84 3h1j s VAL 219 Ca 0.67 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3h1j s VAL 219 Cb -0.20 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.80 3h1j s VAL 219 CO 0.38 0.21 0.03 -0.94 0.00 0.00 0.00 175.10 174.78 3h1j s SER 220 N -1.88 2.28 -0.14 3.32 1.04 -1.26 -5.03 113.70 112.02 3h1j s SER 220 Ca 0.18 -0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 3h1j s SER 220 Cb -0.11 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.51 3h1j s SER 220 CO 0.10 -0.27 -0.24 0.49 0.98 0.00 0.00 173.24 174.29 3h1j n PHE 221 N 5.13 0.23 -2.52 5.02 3.01 -1.26 -5.01 117.46 122.06 3h1j n PHE 221 Ca -0.08 0.10 -0.29 0.00 1.01 0.00 0.00 57.45 58.19 3h1j n PHE 221 Cb 0.49 -0.49 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 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 -2.40 4.81 0.23 4.37 -4.23 -1.26 -4.98 115.64 112.17 3h1j s THR 222 Ca -0.20 0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 60.74 3h1j s THR 222 Cb 0.03 -3.82 0.19 0.00 1.34 0.00 0.00 72.50 70.23 3h1j s THR 222 CO 0.30 -0.82 1.87 0.10 -0.54 0.00 0.00 174.62 175.53 3h1j h TYR 223 N 0.42 0.97 -0.97 3.99 -0.00 -2.01 -2.90 116.97 116.46 3h1j h TYR 223 Ca -0.46 0.03 0.19 0.00 -0.00 0.00 0.00 58.73 58.48 3h1j h TYR 223 Cb 1.20 -0.32 -0.18 0.00 -0.00 0.00 0.00 36.73 37.43 3h1j h TYR 223 CO 0.61 0.55 -0.27 0.87 -0.00 0.00 0.00 178.16 179.92 3h1j h LYS 224 N 1.00 -0.00 -0.99 0.10 1.79 -1.96 0.65 116.57 117.16 3h1j h LYS 224 Ca 0.33 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.86 3h1j h LYS 224 Cb 0.02 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.61 3h1j h LYS 224 CO -0.12 -0.00 0.64 0.93 -1.08 0.00 0.00 179.45 179.82 3h1j h GLU 225 N -0.00 1.14 0.00 3.15 5.08 -1.92 -2.43 114.58 119.60 3h1j h GLU 225 Ca 0.44 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3h1j h GLU 225 Cb 0.69 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3h1j h GLU 225 CO -1.00 0.76 0.00 -0.44 -1.00 0.00 0.00 179.01 177.33 3h1j h ASP 226 N 1.18 0.00 -3.82 1.42 5.19 -0.99 -3.45 116.42 115.95 3h1j h ASP 226 Ca 0.42 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.35 3h1j h ASP 226 Cb 0.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3h1j h ASP 226 CO -0.16 0.00 0.35 0.00 -3.12 0.00 0.00 179.24 176.31 3h1j s ALA 227 N -3.41 3.27 -0.29 3.45 0.00 -0.92 -4.89 121.76 118.98 3h1j s ALA 227 Ca 0.04 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 3h1j s ALA 227 Cb 0.09 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 3h1j s ALA 227 CO 0.54 0.18 0.13 0.54 0.00 0.00 0.00 175.76 177.15 3h1j s VAL 228 N -1.40 4.63 0.61 0.00 0.11 -1.26 -5.00 120.40 118.09 3h1j s VAL 228 Ca 0.46 -0.24 -0.18 0.00 -2.93 0.00 0.00 61.98 59.09 3h1j s VAL 228 Cb -0.22 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 3h1j s VAL 228 CO 0.28 0.19 1.20 -2.16 -3.33 0.00 0.00 175.10 171.27 3h1j s PRO 229 N 1.64 2.89 -0.22 1.54 0.04 -1.26 -5.01 135.00 134.62 3h1j s PRO 229 Ca 0.06 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 3h1j s PRO 229 Cb -0.16 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3h1j s PRO 229 CO 0.06 -1.26 0.05 0.42 0.04 0.00 0.00 177.00 176.32 3h1j s ILE 230 N -1.70 4.36 0.63 0.56 1.01 -1.26 -5.08 121.20 119.72 3h1j s ILE 230 Ca 0.76 -0.17 -0.16 0.00 0.00 0.00 0.00 60.65 61.08 3h1j s ILE 230 Cb -0.29 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 3h1j s ILE 230 CO 0.35 0.40 1.11 -0.76 0.00 0.00 0.00 174.94 176.03 3h1j s LEU 231 N 1.08 3.46 0.30 2.97 1.43 -1.26 -4.99 118.68 121.68 3h1j s LEU 231 Ca 0.04 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 54.88 3h1j s LEU 231 Cb -0.14 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.43 3h1j s LEU 231 CO 0.03 -1.53 1.09 -2.16 0.23 0.00 0.00 176.35 174.01 3h1j s PRO 232 N -3.94 4.54 0.28 1.29 0.04 -1.26 -4.97 135.00 130.98 3h1j s PRO 232 Ca 0.68 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 3h1j s PRO 232 Cb -0.21 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 3h1j s PRO 232 CO 0.39 0.13 1.47 0.50 0.04 0.00 0.00 177.00 179.52 3h1j s ARG 233 N -1.66 4.23 -0.22 4.56 3.52 -1.26 -4.99 118.95 123.13 3h1j s ARG 233 Ca 0.47 2.38 -0.14 0.00 -0.13 0.00 0.00 55.73 58.31 3h1j s ARG 233 Cb -0.30 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 3h1j s ARG 233 CO 0.39 -0.46 0.33 0.00 -0.81 0.00 0.00 175.30 174.75 3h1j s ARG 235 N 1.32 4.04 0.45 0.00 3.52 -1.26 -4.98 118.95 122.03 3h1j s ARG 235 Ca 0.15 0.85 -0.22 0.00 -0.13 0.00 0.00 55.73 56.39 3h1j s ARG 235 Cb -0.14 -3.72 -0.09 0.00 -1.56 0.00 0.00 34.95 29.44 3h1j s ARG 235 CO 0.07 -0.75 1.04 0.12 -0.81 0.00 0.00 175.30 174.97 3h1j s PHE 236 N 3.23 3.12 -0.13 5.12 5.36 -1.26 -4.47 117.98 128.95 3h1j s PHE 236 Ca 0.38 1.60 -0.04 0.00 -0.96 0.00 0.00 56.93 57.92 3h1j s PHE 236 Cb -0.14 -3.08 0.06 0.00 -0.34 0.00 0.00 43.02 39.52 3h1j s PHE 236 CO 0.13 -0.72 0.14 0.99 -1.46 0.00 0.00 175.22 174.30 3h1j s THR 237 N -1.86 -0.21 -0.32 0.12 2.01 0.12 -5.00 115.64 110.51 3h1j s THR 237 Ca 0.63 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 62.47 3h1j s THR 237 Cb -0.18 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 71.83 3h1j s THR 237 CO 0.23 -0.04 2.29 0.61 -0.69 0.00 0.00 174.62 177.01 3h1j n GLY 238 N 5.31 0.72 2.92 4.40 0.00 -1.26 -4.53 105.19 112.75 3h1j n GLY 238 Ca -0.05 0.76 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 3h1j n GLY 238 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1j n SER 239 N 12.85 -1.65 -3.72 1.61 3.41 -0.80 -4.93 113.62 120.39 3h1j n SER 239 Ca 0.33 -2.34 -0.13 0.00 -0.26 0.00 0.00 58.87 56.48 3h1j n SER 239 Cb 0.46 2.80 -0.08 0.00 -0.26 0.00 0.00 64.21 67.13 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 -2.22 0.78 -0.10 4.33 -1.05 -1.26 -0.42 118.70 118.77 3h1j s GLU 240 Ca 0.15 -0.26 -0.02 0.00 -0.15 0.00 0.00 54.97 54.70 3h1j s GLU 240 Cb -0.03 0.35 0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3h1j s GLU 240 CO 0.11 -0.24 0.01 -1.50 0.95 0.00 0.00 175.26 174.59 3h1j s ILE 241 N -1.81 0.43 -0.39 1.83 2.07 -0.37 -4.94 121.20 118.02 3h1j s ILE 241 Ca -0.10 -0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.04 3h1j s ILE 241 Cb -0.03 -0.67 0.08 0.00 0.13 0.00 0.00 42.46 41.98 3h1j s ILE 241 CO 0.02 0.15 0.18 -0.13 -1.91 0.00 0.00 174.94 173.25 3h1j s ARG 242 N 1.94 2.35 -0.62 3.50 0.52 -1.26 -2.03 118.95 123.34 3h1j s ARG 242 Ca 0.04 -1.54 -0.17 0.00 -0.52 0.00 0.00 55.73 53.54 3h1j s ARG 242 Cb -0.13 -3.58 0.14 0.00 0.52 0.00 0.00 34.95 31.90 3h1j s ARG 242 CO -0.06 -0.92 0.63 0.00 0.02 0.00 0.00 175.30 174.96 3h1j s ALA 243 N 1.28 3.65 -0.13 2.13 0.00 -0.19 -4.99 121.76 123.52 3h1j s ALA 243 Ca 0.03 -2.60 -0.12 0.00 0.00 0.00 0.00 51.96 49.26 3h1j s ALA 243 Cb -0.22 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 3h1j s ALA 243 CO -0.01 -2.19 0.27 0.50 0.00 0.00 0.00 175.76 174.33 3h1j s ARG 244 N 1.68 4.04 -0.34 0.00 3.52 -1.26 -2.26 118.95 124.33 3h1j s ARG 244 Ca 0.09 0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.80 3h1j s ARG 244 Cb -0.24 -3.34 0.15 0.00 -1.56 0.00 0.00 34.95 29.96 3h1j s ARG 244 CO 0.01 0.43 0.35 0.34 -0.81 0.00 0.00 175.30 175.62 3h1j s ASP 245 N -0.11 1.27 0.00 -2.12 -1.08 0.23 -4.88 116.67 109.99 3h1j s ASP 245 Ca 0.17 -1.22 0.02 0.00 -0.52 0.00 0.00 52.55 51.00 3h1j s ASP 245 Cb -0.13 0.59 0.15 0.00 -1.46 0.00 0.00 42.92 42.06 3h1j s ASP 245 CO 0.05 -0.31 0.59 0.47 0.52 0.00 0.00 175.17 176.49 3h1j n ASP 246 N 4.67 0.00 0.08 -0.34 8.00 -1.26 -2.08 116.55 125.62 3h1j n ASP 246 Ca 0.06 -0.10 0.12 0.00 0.71 0.00 0.00 54.79 55.58 3h1j n ASP 246 Cb 0.46 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.65 3h1j n ASP 246 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1j h ALA 247 N 2.06 0.52 -2.67 2.24 0.00 -1.95 -3.45 119.26 116.03 3h1j h ALA 247 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3h1j h ALA 247 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3h1j h ALA 247 CO 0.00 0.00 0.30 -0.51 0.00 0.00 0.00 179.25 179.04 3h1j s LEU 248 N -4.68 4.55 0.14 0.00 1.43 -0.89 -4.98 118.68 114.25 3h1j s LEU 248 Ca 0.03 1.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.70 3h1j s LEU 248 Cb 0.12 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3h1j s LEU 248 CO 0.76 0.11 1.61 1.55 0.23 0.00 0.00 176.35 180.61 3h1j h PRO 249 N 3.93 -0.39 -5.71 1.29 0.13 -1.91 -3.39 132.00 125.95 3h1j h PRO 249 Ca -0.46 0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 3h1j h PRO 249 Cb 1.20 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.33 3h1j h PRO 249 CO 0.67 -0.26 -0.46 0.14 -0.23 0.00 0.00 178.00 177.86 3h1j s VAL 250 N -6.00 1.83 0.00 1.56 -7.23 -1.26 -4.59 120.40 104.71 3h1j s VAL 250 Ca -0.15 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 3h1j s VAL 250 Cb 0.10 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 3h1j s VAL 250 CO 0.66 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 175.23 3h1j s ALA 251 N -2.72 1.84 -0.04 1.32 0.00 0.09 -4.36 121.76 117.89 3h1j s ALA 251 Ca 0.30 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 3h1j s ALA 251 Cb 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3h1j s ALA 251 CO 0.17 0.44 0.00 -1.01 0.00 0.00 0.00 175.76 175.36 3h1j s HIS 252 N -0.60 3.11 -0.04 0.00 3.76 -0.36 -1.37 115.29 119.79 3h1j s HIS 252 Ca 0.08 0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 55.11 3h1j s HIS 252 Cb -0.09 -1.72 0.03 0.00 1.11 0.00 0.00 32.58 31.91 3h1j s HIS 252 CO 0.00 0.46 0.08 0.08 -0.85 0.00 0.00 174.74 174.52 3h1j s VAL 253 N -0.99 -0.05 -0.03 -0.90 1.01 -0.40 -1.04 120.40 117.99 3h1j s VAL 253 Ca 0.17 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.36 3h1j s VAL 253 Cb -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.12 3h1j s VAL 253 CO 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 175.10 175.20 3h1j s ALA 254 N 1.12 0.64 -0.01 5.51 0.00 -0.43 -0.71 121.76 127.87 3h1j s ALA 254 Ca -0.09 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3h1j s ALA 254 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3h1j s ALA 254 CO -0.04 0.04 -0.12 -1.17 0.00 0.00 0.00 175.76 174.47 3h1j s LEU 255 N 0.57 2.01 0.21 0.00 2.96 -0.61 -1.61 118.68 122.21 3h1j s LEU 255 Ca -0.07 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 3h1j s LEU 255 Cb -0.11 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 46.00 3h1j s LEU 255 CO 0.00 0.14 0.56 0.00 -1.32 0.00 0.00 176.35 175.73 3h1j s ALA 256 N -0.24 -0.94 0.17 5.97 0.00 -0.54 -1.41 121.76 124.77 3h1j s ALA 256 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3h1j s ALA 256 Cb -0.05 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 3h1j s ALA 256 CO -0.00 -0.85 -0.17 0.14 0.00 0.00 0.00 175.76 174.87 3h1j s VAL 257 N -3.89 1.76 0.25 0.00 -7.23 0.26 -0.42 120.40 111.12 3h1j s VAL 257 Ca 0.11 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 3h1j s VAL 257 Cb -0.02 -1.85 -0.11 0.00 0.56 0.00 0.00 36.38 34.96 3h1j s VAL 257 CO -0.00 -0.38 1.62 -0.70 -0.31 0.00 0.00 175.10 175.33 3h1j s GLU 258 N -2.95 4.14 0.36 4.82 2.12 -1.26 -0.69 118.70 125.23 3h1j s GLU 258 Ca 0.16 2.55 0.04 0.00 0.36 0.00 0.00 54.97 58.08 3h1j s GLU 258 Cb -0.05 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 3h1j s GLU 258 CO 0.06 -0.65 0.52 0.20 -0.54 0.00 0.00 175.26 174.85 3h1j s GLY 259 N 0.78 1.53 0.01 -1.50 0.00 0.21 -4.71 107.32 103.63 3h1j s GLY 259 Ca 0.67 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.94 3h1j s GLY 259 CO 0.41 -1.20 0.92 -0.56 0.00 0.00 0.00 173.10 172.67 3h1j h PRO 260 N 0.78 -0.56 0.00 2.90 0.13 -1.87 -2.94 132.00 130.44 3h1j h PRO 260 Ca -0.47 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3h1j h PRO 260 Cb 1.25 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3h1j h PRO 260 CO 0.55 -0.37 0.00 0.41 -0.23 0.00 0.00 178.00 178.36 3h1j n GLY 261 N -0.38 4.50 0.19 1.56 0.00 -1.14 -3.42 105.19 106.49 3h1j n GLY 261 Ca -0.07 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.91 -0.19 -0.32 1.61 7.02 -0.03 -1.57 117.44 122.05 3h1j n TRP 262 Ca 0.00 0.55 0.19 0.00 -1.02 0.00 0.00 57.50 57.23 3h1j n TRP 262 Cb 0.00 -0.48 0.40 0.00 -2.42 0.00 0.00 31.31 28.81 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 0.02 1.67 -2.29 6.99 0.00 -1.85 -3.43 119.26 120.37 3h1j h ALA 263 Ca 0.07 0.21 -0.54 0.00 0.00 0.00 0.00 54.91 54.65 3h1j h ALA 263 Cb 0.18 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h1j h ALA 263 CO -0.41 -0.54 1.14 0.34 0.00 0.00 0.00 179.25 179.77 3h1j s ASP 264 N -4.97 6.59 0.55 0.00 -1.08 -0.61 -4.92 116.67 112.23 3h1j s ASP 264 Ca -0.11 2.39 0.26 0.00 -0.52 0.00 0.00 52.55 54.57 3h1j s ASP 264 Cb 0.29 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.67 3h1j s ASP 264 CO 0.78 -0.97 2.01 -0.65 0.52 0.00 0.00 175.17 176.86 3h1j h PRO 265 N 9.92 0.00 -0.70 4.34 0.11 -1.88 -2.08 132.00 141.71 3h1j h PRO 265 Ca -0.43 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.79 3h1j h PRO 265 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3h1j h PRO 265 CO 0.95 0.00 0.46 -0.44 -0.21 0.00 0.00 178.00 178.76 3h1j h ASP 266 N 0.00 0.48 -1.00 -2.05 3.32 -1.95 -1.75 116.42 113.46 3h1j h ASP 266 Ca 0.20 0.01 0.37 0.00 0.02 0.00 0.00 57.03 57.63 3h1j h ASP 266 Cb 0.86 -0.09 -0.17 0.00 0.22 0.00 0.00 39.33 40.16 3h1j h ASP 266 CO -0.00 0.28 0.55 0.78 -1.72 0.00 0.00 179.24 179.13 3h1j h ASN 267 N 0.53 0.40 0.06 6.45 2.35 -1.72 1.25 115.58 124.90 3h1j h ASN 267 Ca 0.33 0.23 0.01 0.00 -0.55 0.00 0.00 56.30 56.32 3h1j h ASN 267 Cb 0.56 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 3h1j h ASN 267 CO -0.11 -0.30 -0.14 0.58 -1.65 0.00 0.00 177.43 175.81 3h1j h VAL 268 N 0.15 0.67 -0.89 2.81 2.07 -1.55 0.16 116.25 119.67 3h1j h VAL 268 Ca 0.79 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.32 3h1j h VAL 268 Cb 1.97 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 3h1j h VAL 268 CO -0.70 0.00 0.57 0.58 0.02 0.00 0.00 177.57 178.05 3h1j h VAL 269 N -0.27 1.24 -0.50 2.57 2.07 0.12 -1.40 116.25 120.08 3h1j h VAL 269 Ca 0.03 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3h1j h VAL 269 Cb 0.29 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3h1j h VAL 269 CO -0.09 0.24 0.30 -0.07 0.02 0.00 0.00 177.57 177.97 3h1j h LEU 270 N 1.22 0.50 -0.86 2.57 3.38 0.38 -0.63 115.31 121.86 3h1j h LEU 270 Ca 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3h1j h LEU 270 Cb -0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3h1j h LEU 270 CO -0.07 0.35 0.45 0.45 0.09 0.00 0.00 178.44 179.71 3h1j h HIS 271 N 0.61 1.21 -0.74 1.13 3.86 -0.03 0.91 115.15 122.10 3h1j h HIS 271 Ca 0.20 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3h1j h HIS 271 Cb 0.00 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.06 3h1j h HIS 271 CO -0.06 0.86 0.40 0.28 0.86 0.00 0.00 177.93 180.27 3h1j h VAL 272 N 1.22 1.22 0.16 2.45 2.07 -0.72 0.24 116.25 122.89 3h1j h VAL 272 Ca 0.30 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3h1j h VAL 272 Cb 0.07 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3h1j h VAL 272 CO -0.04 0.25 -0.08 0.00 0.02 0.00 0.00 177.57 177.72 3h1j h ALA 273 N 1.41 -0.22 -0.02 1.67 0.00 -0.17 -2.05 119.26 119.88 3h1j h ALA 273 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h1j h ALA 273 Cb 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h1j h ALA 273 CO -0.04 -0.42 0.17 -0.91 0.00 0.00 0.00 179.25 178.05 3h1j h ASN 274 N -0.61 0.00 0.73 0.00 -0.26 -0.62 0.22 115.58 115.04 3h1j h ASN 274 Ca -0.02 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.62 3h1j h ASN 274 Cb 0.46 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 3h1j h ASN 274 CO 0.04 0.00 -0.49 0.00 -1.06 0.00 0.00 177.43 175.92 3h1j h ALA 275 N 1.68 1.00 0.22 -0.83 0.00 -0.23 0.64 119.26 121.74 3h1j h ALA 275 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3h1j h ALA 275 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h1j h ALA 275 CO -0.00 0.61 -0.11 0.82 0.00 0.00 0.00 179.25 180.58 3h1j h ILE 276 N 0.00 0.55 0.00 0.00 2.04 -0.28 -3.26 117.51 116.56 3h1j h ILE 276 Ca -0.00 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 3h1j h ILE 276 Cb 0.99 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3h1j h ILE 276 CO 0.06 0.15 -0.25 0.40 0.00 0.00 0.00 178.15 178.51 3h1j h ILE 277 N -0.96 0.91 0.00 -0.67 2.04 -1.59 -3.41 117.51 113.84 3h1j h ILE 277 Ca -0.03 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3h1j h ILE 277 Cb 0.47 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3h1j h ILE 277 CO 0.05 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.06 3h1j n GLY 278 N -0.49 2.05 3.36 5.37 0.00 0.22 -4.67 105.19 111.02 3h1j n GLY 278 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 1.13 0.20 1.61 1.70 -1.26 -2.90 118.95 119.44 3h1j s ARG 279 Ca 0.00 -0.87 -0.07 0.00 -0.47 0.00 0.00 55.73 54.32 3h1j s ARG 279 Cb 0.00 0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 34.81 3h1j s ARG 279 CO 0.00 -0.44 0.28 -0.47 -1.08 0.00 0.00 175.30 173.59 3h1j s TYR 280 N -3.86 0.69 -0.26 5.89 5.04 -0.26 -4.96 117.35 119.63 3h1j s TYR 280 Ca 0.07 -1.00 -0.26 0.00 -2.44 0.00 0.00 57.07 53.44 3h1j s TYR 280 Cb 0.02 -0.18 0.15 0.00 0.35 0.00 0.00 41.96 42.30 3h1j s TYR 280 CO -0.07 -0.77 1.16 0.34 -1.34 0.00 0.00 175.55 174.86 3h1j s ASP 281 N -3.06 -0.30 0.00 4.32 2.15 -1.26 -2.07 116.67 116.45 3h1j s ASP 281 Ca 0.27 0.51 0.00 0.00 0.43 0.00 0.00 52.55 53.77 3h1j s ASP 281 Cb 0.03 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 3h1j s ASP 281 CO 0.08 -0.14 0.57 0.54 -0.17 0.00 0.00 175.17 176.04 3h1j n ARG 282 N 1.63 0.00 -0.26 4.34 5.12 -1.02 -0.92 116.66 125.55 3h1j n ARG 282 Ca -0.10 0.12 0.09 0.00 -1.93 0.00 0.00 57.85 56.02 3h1j n ARG 282 Cb 0.57 -1.81 0.19 0.00 -1.16 0.00 0.00 32.46 30.25 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 -1.07 2.08 -2.72 0.55 -2.24 -1.26 -4.95 114.28 104.67 3h1j n THR 283 Ca 0.00 -2.14 -0.42 0.00 -2.27 0.00 0.00 64.05 59.21 3h1j n THR 283 Cb 0.31 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.88 2.68 0.35 4.78 0.40 -0.10 -4.90 117.98 118.32 3h1j s PHE 284 Ca 0.37 0.12 0.16 0.00 -0.60 0.00 0.00 56.93 56.98 3h1j s PHE 284 Cb 0.31 -4.29 1.10 0.00 0.51 0.00 0.00 43.02 40.66 3h1j s PHE 284 CO 0.05 -1.50 1.68 0.78 0.70 0.00 0.00 175.22 176.93 3h1j h GLY 285 N 11.48 1.90 -0.62 4.36 0.00 -1.92 -2.80 103.07 115.46 3h1j h GLY 285 Ca -0.26 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 46.89 3h1j h GLY 285 CO 1.14 -0.42 -0.37 0.61 0.00 0.00 0.00 176.54 177.50 3h1j n GLY 286 N -1.33 -1.67 7.00 4.60 0.00 -1.26 -4.86 105.19 107.66 3h1j n GLY 286 Ca 0.31 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.08 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 -1.16 -0.86 0.21 -0.02 0.00 -1.06 -3.85 105.19 98.46 3h1j n GLY 287 Ca 0.01 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 44.90 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 0.20 116.57 118.57 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 -0.42 0.72 -2.00 0.00 0.00 179.45 177.75 3h1j n HIS 289 N -2.15 0.00 -1.46 0.07 8.25 -1.25 -4.87 115.22 113.82 3h1j n HIS 289 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3h1j n HIS 289 Cb 0.55 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.42 -0.08 -0.07 2.41 4.77 0.69 -4.88 117.00 119.43 3h1j n LEU 290 Ca 0.10 0.95 -0.10 0.00 -0.03 0.00 0.00 56.01 56.93 3h1j n LEU 290 Cb 0.41 -1.11 0.04 0.00 -2.33 0.00 0.00 43.42 40.43 3h1j n LEU 290 CO 0.28 -2.81 0.58 0.28 -1.33 0.00 0.00 177.39 174.40 3h1j h SER 291 N 0.91 0.81 -2.67 -1.43 0.02 -1.93 -3.42 113.55 105.85 3h1j h SER 291 Ca -0.39 -0.36 -0.57 0.00 -0.84 0.00 0.00 61.79 59.63 3h1j h SER 291 Cb 1.40 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 3h1j h SER 291 CO 0.53 1.10 1.18 -0.55 -1.14 0.00 0.00 176.83 177.95 3h1j s SER 292 N -6.84 6.25 0.23 3.07 0.15 -1.26 -4.89 113.70 110.41 3h1j s SER 292 Ca -0.09 1.67 -0.10 0.00 0.70 0.00 0.00 55.95 58.13 3h1j s SER 292 Cb 0.12 -2.53 0.33 0.00 -1.71 0.00 0.00 66.02 62.23 3h1j s SER 292 CO 0.85 -1.35 1.63 0.03 1.20 0.00 0.00 173.24 175.60 3h1j h ARG 293 N 11.32 0.06 -0.17 5.44 3.08 -1.85 0.69 114.38 132.94 3h1j h ARG 293 Ca -0.35 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.73 3h1j h ARG 293 Cb 1.17 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 3h1j h ARG 293 CO 1.00 0.04 -0.07 1.25 -1.07 0.00 0.00 179.97 181.12 3h1j h LEU 294 N 0.06 -0.23 0.09 3.04 5.85 -1.90 1.32 115.31 123.53 3h1j h LEU 294 Ca 0.35 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.15 3h1j h LEU 294 Cb 0.58 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3h1j h LEU 294 CO -0.65 -0.09 -0.22 0.00 -0.34 0.00 0.00 178.44 177.14 3h1j h ALA 295 N 1.12 -0.35 -0.47 1.25 0.00 -1.15 1.06 119.26 120.71 3h1j h ALA 295 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3h1j h ALA 295 Cb 0.18 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3h1j h ALA 295 CO -0.20 -0.74 0.06 0.00 0.00 0.00 0.00 179.25 178.37 3h1j h ALA 296 N 0.41 0.50 -0.39 0.00 0.00 0.12 0.20 119.26 120.11 3h1j h ALA 296 Ca 0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3h1j h ALA 296 Cb 0.43 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h1j h ALA 296 CO -0.14 -0.34 0.16 -0.07 0.00 0.00 0.00 179.25 178.86 3h1j h LEU 297 N 0.18 0.53 -0.68 0.00 3.38 0.22 0.17 115.31 119.10 3h1j h LEU 297 Ca 0.24 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3h1j h LEU 297 Cb 0.33 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3h1j h LEU 297 CO -0.34 0.54 0.28 0.00 0.09 0.00 0.00 178.44 179.01 3h1j h ALA 298 N 1.01 0.92 -0.29 1.53 0.00 0.27 -0.08 119.26 122.62 3h1j h ALA 298 Ca 0.13 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3h1j h ALA 298 Cb 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h1j h ALA 298 CO -0.01 -0.16 -0.03 0.28 0.00 0.00 0.00 179.25 179.33 3h1j h VAL 299 N 0.47 1.27 0.00 0.00 2.07 -0.12 0.16 116.25 120.10 3h1j h VAL 299 Ca 0.35 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3h1j h VAL 299 Cb 0.46 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3h1j h VAL 299 CO -0.33 0.32 -0.22 -0.08 0.02 0.00 0.00 177.57 177.28 3h1j h GLU 300 N 0.32 0.00 -0.04 1.57 4.81 -0.31 -3.20 114.58 117.73 3h1j h GLU 300 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3h1j h GLU 300 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3h1j h GLU 300 CO 0.02 0.22 0.00 0.72 -0.73 0.00 0.00 179.01 179.24 3h1j n HIS 301 N -3.80 0.05 -3.80 0.92 8.25 -0.10 -4.99 115.22 111.75 3h1j n HIS 301 Ca -0.02 -0.49 -0.30 0.00 -0.26 0.00 0.00 57.72 56.65 3h1j n HIS 301 Cb 0.32 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.38 -2.04 0.10 -0.41 4.01 0.45 -4.88 118.16 115.01 3h1j n LYS 302 Ca 0.01 0.42 0.05 0.00 -0.51 0.00 0.00 58.31 58.28 3h1j n LYS 302 Cb 0.27 -4.21 -0.00 0.00 -0.51 0.00 0.00 35.03 30.57 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 -1.92 0.00 -7.00 -0.35 3.38 -1.49 -3.48 115.31 104.46 3h1j h LEU 303 Ca -0.65 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.41 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 0.54 0.35 0.55 0.00 0.09 0.00 0.00 178.44 179.97 3h1j n HIS 305 N 0.58 0.08 0.00 0.00 8.25 -0.07 -4.71 115.22 119.36 3h1j n HIS 305 Ca -0.10 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3h1j n HIS 305 Cb 0.58 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.57 0.00 -3.64 0.41 3.41 -1.21 -2.42 113.62 108.60 3h1j n SER 306 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.56 3h1j n SER 306 Cb 0.25 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.20 -0.27 7.33 -0.12 -0.88 -1.03 117.98 120.80 3h1j s PHE 307 Ca 0.00 -0.12 -0.24 0.00 -0.05 0.00 0.00 56.93 56.52 3h1j s PHE 307 Cb 0.00 0.28 0.09 0.00 -0.63 0.00 0.00 43.02 42.75 3h1j s PHE 307 CO 0.00 -0.73 0.80 1.14 -0.05 0.00 0.00 175.22 176.39 3h1j s GLN 308 N -3.81 0.74 0.52 1.99 -2.07 0.43 -1.10 119.66 116.36 3h1j s GLN 308 Ca 0.04 0.91 -0.00 0.00 -1.82 0.00 0.00 55.36 54.48 3h1j s GLN 308 Cb 0.02 0.34 0.02 0.00 -1.09 0.00 0.00 33.01 32.29 3h1j s GLN 308 CO -0.11 -0.09 0.76 0.95 -1.32 0.00 0.00 175.29 175.47 3h1j s THR 309 N 0.45 3.34 -0.07 3.63 -4.23 -1.14 -0.63 115.64 116.99 3h1j s THR 309 Ca -0.00 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.71 3h1j s THR 309 Cb -0.05 -3.26 0.09 0.00 1.34 0.00 0.00 72.50 70.62 3h1j s THR 309 CO -0.03 -0.20 0.78 0.72 -0.54 0.00 0.00 174.62 175.36 3h1j s PHE 310 N -2.72 -0.56 -0.45 3.99 -0.71 -0.61 -4.91 117.98 112.01 3h1j s PHE 310 Ca 0.53 0.91 0.07 0.00 -1.04 0.00 0.00 56.93 57.41 3h1j s PHE 310 Cb -0.10 0.43 0.25 0.00 -1.21 0.00 0.00 43.02 42.39 3h1j s PHE 310 CO 0.39 -0.54 0.57 -1.71 -1.34 0.00 0.00 175.22 172.60 3h1j n ASN 311 N 0.76 1.00 -4.58 1.98 5.15 -1.26 -1.03 115.26 117.28 3h1j n ASN 311 Ca -0.16 -2.86 -0.41 0.00 -0.60 0.00 0.00 54.58 50.55 3h1j n ASN 311 Cb 0.58 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.15 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 -1.47 3.45 0.50 -0.44 2.01 -0.06 -4.88 115.64 114.75 3h1j s THR 312 Ca 0.36 0.40 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 3h1j s THR 312 Cb 0.16 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3h1j s THR 312 CO -0.09 -0.63 0.87 -0.44 -0.69 0.00 0.00 174.62 173.64 3h1j s SER 313 N 6.85 6.37 0.30 3.53 0.01 -1.26 -0.35 113.70 129.15 3h1j s SER 313 Ca 0.74 1.19 -0.02 0.00 1.31 0.00 0.00 55.95 59.17 3h1j s SER 313 Cb -0.18 -2.36 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 3h1j s SER 313 CO 0.28 -0.61 0.37 -0.31 0.41 0.00 0.00 173.24 173.39 3h1j s TYR 314 N -2.74 1.12 0.06 2.43 1.51 -0.98 -4.89 117.35 113.86 3h1j s TYR 314 Ca 0.52 -1.30 -0.23 0.00 -1.01 0.00 0.00 57.07 55.04 3h1j s TYR 314 Cb -0.10 -0.26 -0.11 0.00 -0.11 0.00 0.00 41.96 41.38 3h1j s TYR 314 CO 0.42 -0.97 1.36 0.66 -1.11 0.00 0.00 175.55 175.91 3h1j h SER 315 N 2.23 -0.97 0.00 2.29 4.64 -1.95 -0.04 113.55 119.75 3h1j h SER 315 Ca -0.29 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3h1j h SER 315 Cb 1.24 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3h1j h SER 315 CO 0.40 -0.41 -1.42 -0.90 -0.87 0.00 0.00 176.83 173.64 3h1j n ASP 316 N -4.42 1.00 0.00 4.97 5.75 -1.26 -4.04 116.55 118.55 3h1j n ASP 316 Ca -0.07 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 3h1j n ASP 316 Cb 0.29 1.50 0.00 0.00 -1.03 0.00 0.00 41.12 41.88 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 -1.84 0.00 0.00 2.12 5.66 -1.22 -4.64 114.28 114.36 3h1j n THR 317 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3h1j n THR 317 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 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 1.51 2.31 2.95 1.09 0.00 -1.11 -2.31 105.19 109.64 3h1j n GLY 318 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 1.65 -0.32 0.99 1.43 0.53 0.63 118.68 123.59 3h1j s LEU 319 Ca 0.00 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.48 3h1j s LEU 319 Cb 0.00 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.22 3h1j s LEU 319 CO 0.00 -0.12 0.07 0.12 0.23 0.00 0.00 176.35 176.65 3h1j s PHE 320 N 1.57 3.21 0.00 0.29 5.36 0.13 -0.88 117.98 127.66 3h1j s PHE 320 Ca 0.03 -1.37 0.00 0.00 -0.96 0.00 0.00 56.93 54.63 3h1j s PHE 320 Cb -0.14 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 3h1j s PHE 320 CO -0.09 -0.70 0.00 0.41 -1.46 0.00 0.00 175.22 173.38 3h1j n GLY 321 N 4.79 3.43 3.41 13.12 0.00 -0.20 -0.57 105.19 129.17 3h1j n GLY 321 Ca -0.13 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.57 -0.51 0.00 1.61 -0.12 -0.50 -1.58 117.98 116.31 3h1j s PHE 322 Ca 0.00 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 3h1j s PHE 322 Cb 0.00 0.53 -0.00 0.00 -0.63 0.00 0.00 43.02 42.92 3h1j s PHE 322 CO 0.00 -0.83 -0.01 -1.58 -0.05 0.00 0.00 175.22 172.75 3h1j s HIS 323 N -3.72 0.06 0.00 3.49 2.46 0.20 -1.57 115.29 116.21 3h1j s HIS 323 Ca 0.01 -0.04 -0.07 0.00 0.47 0.00 0.00 55.06 55.43 3h1j s HIS 323 Cb -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.41 3h1j s HIS 323 CO -0.13 -0.01 0.13 -0.59 -2.47 0.00 0.00 174.74 171.67 3h1j s PHE 324 N -0.11 0.04 -0.10 3.88 -0.12 0.11 -0.43 117.98 121.26 3h1j s PHE 324 Ca -0.01 -0.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.76 3h1j s PHE 324 Cb -0.01 -0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 3h1j s PHE 324 CO -0.00 -0.27 -0.16 0.08 -0.05 0.00 0.00 175.22 174.82 3h1j s VAL 325 N -1.30 2.84 0.36 -2.49 1.01 -0.20 -1.28 120.40 119.33 3h1j s VAL 325 Ca -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3h1j s VAL 325 Cb -0.07 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 3h1j s VAL 325 CO 0.01 0.55 0.44 0.00 0.00 0.00 0.00 175.10 176.10 3h1j s ALA 326 N 0.10 1.14 0.21 5.51 0.00 -0.47 -0.89 121.76 127.36 3h1j s ALA 326 Ca -0.07 -1.72 -0.10 0.00 0.00 0.00 0.00 51.96 50.07 3h1j s ALA 326 Cb -0.15 1.24 -0.07 0.00 0.00 0.00 0.00 23.12 24.14 3h1j s ALA 326 CO 0.05 -0.76 0.53 -0.51 0.00 0.00 0.00 175.76 175.07 3h1j s ASP 327 N -3.30 6.63 0.44 0.00 1.01 -1.26 -0.73 116.67 119.45 3h1j s ASP 327 Ca 0.34 0.90 0.29 0.00 0.71 0.00 0.00 52.55 54.79 3h1j s ASP 327 Cb -0.00 -2.22 1.40 0.00 1.01 0.00 0.00 42.92 43.11 3h1j s ASP 327 CO 0.24 -0.04 1.64 1.55 0.21 0.00 0.00 175.17 178.77 3h1j h PRO 328 N 2.68 0.12 -0.49 8.23 0.13 -1.81 -1.26 132.00 139.60 3h1j h PRO 328 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3h1j h PRO 328 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h1j h PRO 328 CO 0.69 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.82 3h1j n LEU 329 N -4.65 2.62 -0.09 1.56 4.77 -1.26 -3.93 117.00 116.02 3h1j n LEU 329 Ca 0.36 -1.31 0.01 0.00 -0.03 0.00 0.00 56.01 55.04 3h1j n LEU 329 Cb 1.37 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 3h1j n LEU 329 CO 0.22 0.65 0.37 -1.54 -1.33 0.00 0.00 177.39 175.76 3h1j n SER 330 N 0.94 0.90 -0.24 -1.43 3.41 -0.48 -4.80 113.62 111.92 3h1j n SER 330 Ca 0.16 -1.73 -0.06 0.00 -0.26 0.00 0.00 58.87 56.99 3h1j n SER 330 Cb 0.41 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 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 2.37 1.22 0.20 -1.33 2.04 -1.67 -1.73 117.51 118.62 3h1j h ILE 331 Ca 0.00 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3h1j h ILE 331 Cb 0.91 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3h1j h ILE 331 CO 0.00 0.25 -0.10 -0.78 0.00 0.00 0.00 178.15 177.52 3h1j h ASP 332 N 0.92 -0.23 -0.76 1.72 3.58 -1.87 -0.23 116.42 119.56 3h1j h ASP 332 Ca 0.23 -0.23 0.11 0.00 0.42 0.00 0.00 57.03 57.57 3h1j h ASP 332 Cb 0.08 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.11 3h1j h ASP 332 CO -0.03 0.12 0.38 0.44 -2.88 0.00 0.00 179.24 177.26 3h1j h ASP 333 N -0.60 0.48 0.28 2.28 3.32 -1.89 0.24 116.42 120.53 3h1j h ASP 333 Ca -0.03 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3h1j h ASP 333 Cb 0.44 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3h1j h ASP 333 CO 0.05 0.25 -0.13 -0.03 -1.72 0.00 0.00 179.24 177.65 3h1j h MET 334 N 0.61 -0.36 -0.63 3.56 4.05 -1.24 -1.12 114.93 119.81 3h1j h MET 334 Ca 0.39 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.90 3h1j h MET 334 Cb 0.46 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.28 3h1j h MET 334 CO -0.30 -0.18 0.33 1.98 0.23 0.00 0.00 176.91 178.96 3h1j h MET 335 N -0.46 0.58 0.16 0.39 1.85 -0.40 0.13 114.93 117.18 3h1j h MET 335 Ca -0.04 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.03 3h1j h MET 335 Cb 0.35 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.20 3h1j h MET 335 CO 0.06 0.39 -0.40 0.35 -0.40 0.00 0.00 176.91 176.91 3h1j h PHE 336 N 0.60 -1.10 -0.92 1.39 3.57 -0.35 -0.96 116.94 119.16 3h1j h PHE 336 Ca 0.29 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3h1j h PHE 336 Cb 0.22 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 3h1j h PHE 336 CO -0.10 -0.51 0.59 0.00 -2.23 0.00 0.00 178.31 176.07 3h1j h ALA 338 N 1.38 -0.67 -0.16 0.00 0.00 -0.28 -1.11 119.26 118.41 3h1j h ALA 338 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3h1j h ALA 338 Cb 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h1j h ALA 338 CO -0.12 -0.88 0.06 1.96 0.00 0.00 0.00 179.25 180.27 3h1j h GLN 339 N -0.67 0.22 -0.02 0.00 4.20 -0.98 -1.26 115.11 116.60 3h1j h GLN 339 Ca -0.07 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.66 3h1j h GLN 339 Cb 0.52 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 3h1j h GLN 339 CO 0.11 0.19 -0.26 0.78 -0.67 0.00 0.00 178.83 178.98 3h1j h GLY 340 N 0.34 -0.39 1.44 3.46 0.00 0.18 0.14 103.07 108.23 3h1j h GLY 340 Ca 0.06 0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 3h1j h GLY 340 CO -0.01 -0.21 0.15 0.83 0.00 0.00 0.00 176.54 177.31 3h1j h GLU 341 N -0.40 0.72 0.07 4.80 4.39 -0.14 0.30 114.58 124.32 3h1j h GLU 341 Ca 0.07 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3h1j h GLU 341 Cb 0.49 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3h1j h GLU 341 CO -0.24 0.63 -0.03 -1.49 -1.16 0.00 0.00 179.01 176.71 3h1j h TRP 342 N 0.70 -0.09 -0.39 4.33 4.06 -0.55 0.20 115.95 124.22 3h1j h TRP 342 Ca 0.16 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.14 3h1j h TRP 342 Cb 0.21 0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 3h1j h TRP 342 CO 0.01 -0.02 0.26 0.52 -3.56 0.00 0.00 178.44 175.65 3h1j h MET 343 N -0.13 0.42 -0.31 0.49 2.86 -0.09 -0.16 114.93 118.01 3h1j h MET 343 Ca -0.01 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3h1j h MET 343 Cb 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3h1j h MET 343 CO 0.02 0.28 -0.29 -0.09 1.06 0.00 0.00 176.91 177.88 3h1j h ARG 344 N 0.43 0.64 -0.74 1.72 2.43 0.03 -1.63 114.38 117.26 3h1j h ARG 344 Ca 0.16 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3h1j h ARG 344 Cb 0.09 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3h1j h ARG 344 CO -0.04 0.86 0.48 -0.07 -1.51 0.00 0.00 179.97 179.69 3h1j h LEU 345 N 0.55 0.82 -0.50 3.80 3.38 0.12 0.50 115.31 123.98 3h1j h LEU 345 Ca 0.07 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3h1j h LEU 345 Cb 0.78 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3h1j h LEU 345 CO 0.06 0.58 -0.75 0.00 0.09 0.00 0.00 178.44 178.42 3h1j n THR 347 N -3.68 1.07 -2.53 0.00 -2.24 -0.64 -4.67 114.28 101.60 3h1j n THR 347 Ca -0.01 -0.53 -0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3h1j n THR 347 Cb 0.72 -0.90 0.05 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.82 1.67 -4.76 3.42 3.41 0.17 -5.07 113.62 109.64 3h1j n SER 348 Ca -0.30 -2.33 -0.41 0.00 -0.26 0.00 0.00 58.87 55.57 3h1j n SER 348 Cb 0.93 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 3h1j n SER 348 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3h1j s THR 349 N -2.35 2.16 0.12 6.66 2.01 -1.14 -4.94 115.64 118.16 3h1j s THR 349 Ca 0.33 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.50 3h1j s THR 349 Cb 0.36 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3h1j s THR 349 CO -0.09 0.03 0.18 0.42 -0.69 0.00 0.00 174.62 174.48 3h1j s THR 350 N -0.54 4.94 0.24 -0.82 -4.23 -1.26 -4.79 115.64 109.18 3h1j s THR 350 Ca 0.58 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 3h1j s THR 350 Cb -0.46 -3.48 0.22 0.00 1.34 0.00 0.00 72.50 70.12 3h1j s THR 350 CO 0.54 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 176.13 3h1j h GLU 351 N 2.67 0.88 -0.82 3.99 4.39 -1.97 -0.70 114.58 123.03 3h1j h GLU 351 Ca -0.47 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.27 3h1j h GLU 351 Cb 1.18 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 29.58 3h1j h GLU 351 CO 0.68 0.58 0.53 0.77 -1.16 0.00 0.00 179.01 180.42 3h1j h SER 352 N 0.91 0.70 0.35 1.42 0.02 -1.99 -0.82 113.55 114.15 3h1j h SER 352 Ca 0.39 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.34 3h1j h SER 352 Cb 0.25 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3h1j h SER 352 CO -0.20 0.42 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.41 3h1j h GLU 353 N 0.78 -0.46 -0.20 3.45 5.08 -1.54 -2.54 114.58 119.15 3h1j h GLU 353 Ca 0.37 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3h1j h GLU 353 Cb 0.41 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3h1j h GLU 353 CO -0.15 -0.18 0.13 -0.39 -1.00 0.00 0.00 179.01 177.42 3h1j h VAL 354 N -0.70 1.05 0.12 3.13 -1.51 -1.08 0.21 116.25 117.46 3h1j h VAL 354 Ca -0.05 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.33 3h1j h VAL 354 Cb 0.49 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3h1j h VAL 354 CO 0.08 0.05 -0.06 0.50 -1.23 0.00 0.00 177.57 176.91 3h1j h LYS 355 N 0.26 -0.16 -0.16 5.19 3.64 -1.03 0.33 116.57 124.65 3h1j h LYS 355 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3h1j h LYS 355 Cb -0.02 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3h1j h LYS 355 CO -0.02 -0.03 0.08 -0.09 -2.27 0.00 0.00 179.45 177.12 3h1j h ARG 356 N -0.25 0.22 -0.46 1.90 2.43 -0.96 -2.50 114.38 114.77 3h1j h ARG 356 Ca -0.02 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3h1j h ARG 356 Cb 0.20 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 3h1j h ARG 356 CO 0.03 0.26 0.04 0.00 -1.51 0.00 0.00 179.97 178.79 3h1j h ALA 357 N 0.95 0.47 -0.39 2.80 0.00 -0.39 0.38 119.26 123.07 3h1j h ALA 357 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h1j h ALA 357 Cb 0.11 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3h1j h ALA 357 CO -0.01 -0.36 0.25 0.87 0.00 0.00 0.00 179.25 180.01 3h1j h LYS 358 N 0.16 0.52 0.24 0.00 1.57 -0.23 0.90 116.57 119.74 3h1j h LYS 358 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3h1j h LYS 358 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3h1j h LYS 358 CO -0.35 0.36 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.86 3h1j h ASN 359 N 0.53 -0.30 -0.71 0.86 2.35 -0.93 -0.50 115.58 116.88 3h1j h ASN 359 Ca 0.14 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 56.01 3h1j h ASN 359 Cb -0.04 0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.33 3h1j h ASN 359 CO -0.03 -0.21 0.32 -0.74 -1.65 0.00 0.00 177.43 175.13 3h1j h HIS 360 N -0.34 0.57 0.24 1.19 2.76 -0.74 -1.94 115.15 116.89 3h1j h HIS 360 Ca -0.03 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3h1j h HIS 360 Cb 0.26 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 3h1j h HIS 360 CO -0.07 0.16 -0.18 1.25 -1.30 0.00 0.00 177.93 177.80 3h1j h LEU 361 N 0.53 -0.45 -0.75 0.26 5.85 -0.29 -1.98 115.31 118.48 3h1j h LEU 361 Ca 0.37 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.27 3h1j h LEU 361 Cb 0.46 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 3h1j h LEU 361 CO -0.32 -0.27 0.28 0.03 -0.34 0.00 0.00 178.44 177.82 3h1j h ARG 362 N -0.42 0.40 -0.95 1.25 3.08 -0.65 0.29 114.38 117.39 3h1j h ARG 362 Ca -0.01 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3h1j h ARG 362 Cb 0.37 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3h1j h ARG 362 CO -0.00 0.27 0.63 0.77 -1.07 0.00 0.00 179.97 180.56 3h1j h SER 363 N 0.42 1.05 -0.23 7.04 0.02 -0.91 0.44 113.55 121.37 3h1j h SER 363 Ca 0.41 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.18 3h1j h SER 363 Cb 0.64 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3h1j h SER 363 CO -0.42 0.73 -0.52 0.00 -1.14 0.00 0.00 176.83 175.48 3h1j h ALA 364 N 1.44 0.37 -0.88 3.77 0.00 -0.31 -2.08 119.26 121.57 3h1j h ALA 364 Ca 0.37 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3h1j h ALA 364 Cb -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3h1j h ALA 364 CO -0.11 0.56 0.51 1.98 0.00 0.00 0.00 179.25 182.19 3h1j h MET 365 N 0.48 0.80 -0.27 0.00 -1.53 0.38 -1.48 114.93 113.33 3h1j h MET 365 Ca -0.00 -0.05 -0.11 0.00 -3.44 0.00 0.00 59.70 56.10 3h1j h MET 365 Cb 1.13 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 32.00 3h1j h MET 365 CO 0.11 0.53 -0.28 0.28 0.14 0.00 0.00 176.91 177.70 3h1j h VAL 366 N 0.83 1.31 0.00 -5.77 2.07 -0.86 -2.80 116.25 111.03 3h1j h VAL 366 Ca 0.43 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3h1j h VAL 366 Cb 0.43 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3h1j h VAL 366 CO -0.27 0.46 0.00 0.00 0.02 0.00 0.00 177.57 177.78 3h1j n ALA 367 N -2.49 1.25 0.68 1.67 0.00 -0.63 -0.74 120.51 120.26 3h1j n ALA 367 Ca -0.04 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.62 3h1j n ALA 367 Cb 0.46 -1.28 0.46 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.07 0.05 -2.71 0.00 1.13 -0.75 -3.22 117.38 109.82 3h1j n GLN 368 Ca 0.00 0.18 -0.22 0.00 -1.94 0.00 0.00 57.00 55.02 3h1j n GLN 368 Cb 0.09 -1.58 -0.01 0.00 0.11 0.00 0.00 30.24 28.86 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 -1.67 3.42 -3.58 1.08 4.77 0.08 -4.07 117.00 117.02 3h1j n LEU 369 Ca 0.05 -4.93 -0.37 0.00 -0.03 0.00 0.00 56.01 50.73 3h1j n LEU 369 Cb 0.27 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3h1j n LEU 369 CO 0.21 2.11 0.89 -0.67 -1.33 0.00 0.00 177.39 178.60 3h1j n ASP 370 N -0.24 5.97 0.00 -1.43 2.03 -1.20 -4.81 116.55 116.88 3h1j n ASP 370 Ca 0.28 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 52.03 3h1j n ASP 370 Cb 0.64 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 0.47 4.15 0.18 0.27 0.00 -1.26 -4.77 105.19 104.23 3h1j n GLY 371 Ca 0.35 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 1.31 0.84 0.61 2.61 1.35 -1.93 -1.03 112.91 116.67 3h1j h THR 372 Ca 0.00 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 3h1j h THR 372 Cb 0.00 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 3h1j h THR 372 CO 0.00 0.05 -0.47 0.74 -0.25 0.00 0.00 175.52 175.60 3h1j h THR 373 N 0.30 0.07 -0.68 6.82 2.02 -1.89 0.26 112.91 119.80 3h1j h THR 373 Ca 0.21 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 3h1j h THR 373 Cb 0.21 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 3h1j h THR 373 CO -0.22 0.00 0.36 -0.65 0.37 0.00 0.00 175.52 175.37 3h1j h PRO 374 N -1.04 0.62 -0.31 6.66 0.11 -1.82 0.11 132.00 136.33 3h1j h PRO 374 Ca -0.08 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.03 3h1j h PRO 374 Cb 0.87 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 3h1j h PRO 374 CO 0.02 0.41 0.12 0.28 -0.21 0.00 0.00 178.00 178.61 3h1j h VAL 375 N 0.64 0.92 -0.06 3.15 2.07 -0.94 -1.15 116.25 120.89 3h1j h VAL 375 Ca 0.32 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.79 3h1j h VAL 375 Cb 0.28 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3h1j h VAL 375 CO -0.23 0.05 -0.17 0.00 0.02 0.00 0.00 177.57 177.24 3h1j h GLU 377 N -0.25 0.21 -0.09 0.00 4.57 -0.17 0.43 114.58 119.28 3h1j h GLU 377 Ca 0.07 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 58.03 3h1j h GLU 377 Cb 0.36 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3h1j h GLU 377 CO -0.21 0.14 -0.81 1.15 -1.18 0.00 0.00 179.01 178.10 3h1j h THR 378 N 0.21 1.33 0.67 0.32 2.02 0.02 -2.40 112.91 115.08 3h1j h THR 378 Ca 0.42 -2.13 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 3h1j h THR 378 Cb 1.32 2.13 0.01 0.00 -1.74 0.00 0.00 68.15 69.86 3h1j h THR 378 CO -0.09 0.65 -0.32 0.40 0.37 0.00 0.00 175.52 176.53 3h1j h ILE 379 N 0.39 0.00 -0.87 3.11 2.04 -0.31 0.54 117.51 122.41 3h1j h ILE 379 Ca -0.06 -0.27 0.22 0.00 1.00 0.00 0.00 64.86 65.76 3h1j h ILE 379 Cb 1.43 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.37 3h1j h ILE 379 CO 0.15 0.00 0.27 1.23 0.00 0.00 0.00 178.15 179.81 3h1j h GLY 380 N -1.18 1.38 0.73 5.37 0.00 -1.17 -0.60 103.07 107.60 3h1j h GLY 380 Ca -0.09 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 3h1j h GLY 380 CO 0.15 -0.33 -0.54 1.76 0.00 0.00 0.00 176.54 177.59 3h1j h SER 381 N 0.26 0.48 0.37 0.19 0.02 -1.39 -2.48 113.55 111.01 3h1j h SER 381 Ca 0.54 -0.76 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3h1j h SER 381 Cb 1.07 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 3h1j h SER 381 CO -0.61 1.18 -0.45 0.45 -1.14 0.00 0.00 176.83 176.26 3h1j h HIS 382 N -0.17 -1.24 -0.38 3.45 -0.00 0.13 0.83 115.15 117.77 3h1j h HIS 382 Ca -0.07 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.40 3h1j h HIS 382 Cb 1.26 0.49 -0.08 0.00 -0.00 0.00 0.00 27.41 29.08 3h1j h HIS 382 CO 0.15 -0.59 -0.15 -0.07 -0.00 0.00 0.00 177.93 177.27 3h1j h LEU 383 N -0.85 -0.52 -0.33 2.43 3.38 -1.01 1.04 115.31 119.45 3h1j h LEU 383 Ca -0.03 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3h1j h LEU 383 Cb 0.78 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3h1j h LEU 383 CO -0.11 -0.19 0.08 0.25 0.09 0.00 0.00 178.44 178.57 3h1j h LEU 384 N -0.07 0.05 0.00 1.67 5.85 -1.00 -1.03 115.31 120.78 3h1j h LEU 384 Ca 0.19 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3h1j h LEU 384 Cb 0.36 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3h1j h LEU 384 CO -0.44 0.07 -0.33 0.78 -0.34 0.00 0.00 178.44 178.18 3h1j h ASN 385 N 0.21 0.00 0.38 1.25 2.35 0.16 -3.40 115.58 116.53 3h1j h ASN 385 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3h1j h ASN 385 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3h1j h ASN 385 CO -0.19 0.52 -0.00 -1.22 -1.65 0.00 0.00 177.43 174.89 3h1j n TYR 386 N -3.93 0.00 0.00 1.19 4.01 0.35 -4.77 117.16 114.01 3h1j n TYR 386 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3h1j n TYR 386 Cb 0.17 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.19 1.94 0.00 2.72 0.00 -0.39 -4.89 105.19 105.77 3h1j n GLY 387 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 2.32 -3.97 1.61 0.00 -1.26 -4.51 116.66 110.85 3h1j n ARG 388 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 3h1j n ARG 388 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.41 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 -0.65 3.31 -0.24 2.89 6.06 -1.26 -2.85 118.95 126.21 3h1j s ARG 389 Ca 0.00 -0.39 0.02 0.00 -2.50 0.00 0.00 55.73 52.86 3h1j s ARG 389 Cb 0.00 -3.01 0.05 0.00 0.06 0.00 0.00 34.95 32.05 3h1j s ARG 389 CO 0.00 0.66 -0.12 0.42 -2.50 0.00 0.00 175.30 173.77 3h1j s ILE 390 N -1.30 2.00 0.45 4.11 1.01 -1.26 -5.07 121.20 121.14 3h1j s ILE 390 Ca 0.26 -1.40 -0.22 0.00 0.00 0.00 0.00 60.65 59.29 3h1j s ILE 390 Cb -0.12 -2.08 -0.08 0.00 0.01 0.00 0.00 42.46 40.18 3h1j s ILE 390 CO 0.18 0.07 1.07 -0.94 0.00 0.00 0.00 174.94 175.32 3h1j s SER 391 N 1.20 6.43 0.40 3.58 1.04 -1.26 -4.84 113.70 120.26 3h1j s SER 391 Ca -0.06 2.04 0.13 0.00 0.48 0.00 0.00 55.95 58.55 3h1j s SER 391 Cb -0.18 -2.58 0.96 0.00 0.10 0.00 0.00 66.02 64.32 3h1j s SER 391 CO -0.07 -0.73 1.92 -0.07 0.98 0.00 0.00 173.24 175.28 3h1j h LEU 392 N 1.96 0.48 -1.43 2.42 3.38 -1.98 0.58 115.31 120.72 3h1j h LEU 392 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3h1j h LEU 392 Cb 1.23 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3h1j h LEU 392 CO 0.60 0.26 0.37 -0.08 0.09 0.00 0.00 178.44 179.69 3h1j h GLU 393 N 0.52 0.75 0.21 1.13 4.81 -1.92 0.74 114.58 120.82 3h1j h GLU 393 Ca 0.37 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3h1j h GLU 393 Cb 0.72 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3h1j h GLU 393 CO -0.13 0.50 -0.10 1.49 -0.73 0.00 0.00 179.01 180.04 3h1j h GLU 394 N 0.78 -0.27 -0.57 1.92 4.81 -0.32 -2.20 114.58 118.72 3h1j h GLU 394 Ca 0.21 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 3h1j h GLU 394 Cb -0.08 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.25 3h1j h GLU 394 CO -0.04 -0.05 -0.42 -1.49 -0.73 0.00 0.00 179.01 176.27 3h1j h TRP 395 N -1.03 -1.23 -0.97 0.92 -0.00 -0.65 0.54 115.95 113.51 3h1j h TRP 395 Ca -0.03 0.08 0.19 0.00 -0.00 0.00 0.00 58.89 59.13 3h1j h TRP 395 Cb 0.34 0.62 -0.11 0.00 -0.00 0.00 0.00 29.16 30.02 3h1j h TRP 395 CO 0.03 -0.42 0.57 0.22 -0.00 0.00 0.00 178.44 178.84 3h1j h ASP 396 N -0.22 0.70 0.57 -3.49 1.82 0.39 0.27 116.42 116.46 3h1j h ASP 396 Ca 0.18 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.90 3h1j h ASP 396 Cb 0.56 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.56 3h1j h ASP 396 CO -0.68 0.23 -0.29 -1.28 -1.61 0.00 0.00 179.24 175.61 3h1j h SER 397 N 0.70 -0.70 -0.77 2.28 0.87 0.62 -1.88 113.55 114.66 3h1j h SER 397 Ca 0.57 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 61.30 3h1j h SER 397 Cb 0.90 0.19 -0.14 0.00 -0.44 0.00 0.00 62.40 62.90 3h1j h SER 397 CO -0.40 -0.48 -0.24 0.03 -0.53 0.00 0.00 176.83 175.21 3h1j h ARG 398 N -0.78 -0.03 -0.61 2.24 3.08 0.25 -0.05 114.38 118.48 3h1j h ARG 398 Ca -0.08 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.06 3h1j h ARG 398 Cb 0.61 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 3h1j h ARG 398 CO 0.12 -0.02 0.26 0.82 -1.07 0.00 0.00 179.97 180.08 3h1j h ILE 399 N -0.03 0.83 -0.21 2.04 2.04 -0.45 -1.79 117.51 119.94 3h1j h ILE 399 Ca 0.35 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3h1j h ILE 399 Cb 0.58 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3h1j h ILE 399 CO -0.81 0.09 0.14 0.28 0.00 0.00 0.00 178.15 177.85 3h1j h SER 400 N 0.47 0.19 0.11 1.72 0.02 -0.15 -1.94 113.55 113.97 3h1j h SER 400 Ca 0.30 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3h1j h SER 400 Cb 0.33 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3h1j h SER 400 CO -0.27 0.13 -0.14 0.00 -1.14 0.00 0.00 176.83 175.42 3h1j h ALA 401 N 1.88 1.70 -2.85 3.77 0.00 -1.04 -3.44 119.26 119.29 3h1j h ALA 401 Ca 0.08 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 3h1j h ALA 401 Cb 0.06 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 17.89 3h1j h ALA 401 CO -0.02 0.22 0.77 0.08 0.00 0.00 0.00 179.25 180.30 3h1j s VAL 402 N -4.74 2.35 0.13 0.00 1.01 -0.73 -5.03 120.40 113.39 3h1j s VAL 402 Ca -0.04 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 3h1j s VAL 402 Cb 0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 3h1j s VAL 402 CO 0.70 0.07 0.24 1.51 0.00 0.00 0.00 175.10 177.62 3h1j s ASP 403 N 0.04 0.07 0.05 3.32 -4.77 -1.26 -5.00 116.67 109.12 3h1j s ASP 403 Ca 0.56 -0.76 -0.10 0.00 -3.30 0.00 0.00 52.55 48.95 3h1j s ASP 403 Cb -0.44 0.39 -0.02 0.00 -1.09 0.00 0.00 42.92 41.76 3h1j s ASP 403 CO 0.53 -0.82 0.92 0.00 0.70 0.00 0.00 175.17 176.50 3h1j n ALA 404 N -0.15 -0.20 -0.33 2.11 0.00 -1.26 -0.27 120.51 120.42 3h1j n ALA 404 Ca -0.11 0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.60 3h1j n ALA 404 Cb 0.63 0.18 0.07 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.02 -0.42 0.00 9.65 -1.96 0.21 114.38 121.83 3h1j h ARG 405 Ca 0.05 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3h1j h ARG 405 Cb 0.13 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 3h1j h ARG 405 CO -0.29 -0.02 0.22 1.98 2.80 0.00 0.00 179.97 184.67 3h1j h MET 406 N -0.02 0.43 -0.08 0.20 4.05 -1.04 0.14 114.93 118.61 3h1j h MET 406 Ca 0.37 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.79 3h1j h MET 406 Cb 0.62 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 3h1j h MET 406 CO -0.92 0.29 -0.05 0.28 0.23 0.00 0.00 176.91 176.73 3h1j h VAL 407 N 0.45 0.84 0.15 -5.77 2.07 0.94 -0.15 116.25 114.77 3h1j h VAL 407 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3h1j h VAL 407 Cb 0.06 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3h1j h VAL 407 CO -0.11 0.00 -0.17 0.03 0.02 0.00 0.00 177.57 177.34 3h1j h ARG 408 N -0.05 -0.34 -0.03 1.57 3.08 -0.71 0.21 114.38 118.10 3h1j h ARG 408 Ca 0.05 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3h1j h ARG 408 Cb 0.13 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3h1j h ARG 408 CO -0.12 -0.23 -0.19 -0.44 -1.07 0.00 0.00 179.97 177.92 3h1j h ASP 409 N -0.36 -0.56 -0.32 7.04 3.32 -0.78 0.30 116.42 125.06 3h1j h ASP 409 Ca 0.01 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3h1j h ASP 409 Cb 0.35 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3h1j h ASP 409 CO -0.06 -0.25 0.18 0.58 -1.72 0.00 0.00 179.24 177.97 3h1j h VAL 410 N -0.29 1.13 -0.26 -1.35 2.07 -0.87 0.33 116.25 117.01 3h1j h VAL 410 Ca 0.07 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3h1j h VAL 410 Cb 0.38 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3h1j h VAL 410 CO -0.20 0.13 0.11 0.00 0.02 0.00 0.00 177.57 177.63 3h1j h SER 412 N 0.28 -0.63 -0.83 0.00 0.02 -0.24 0.55 113.55 112.70 3h1j h SER 412 Ca 0.09 0.12 0.20 0.00 -0.84 0.00 0.00 61.79 61.36 3h1j h SER 412 Cb 0.16 0.31 -0.14 0.00 0.14 0.00 0.00 62.40 62.86 3h1j h SER 412 CO -0.01 -0.23 0.07 0.50 -1.14 0.00 0.00 176.83 176.02 3h1j h LYS 413 N -0.19 0.12 0.00 3.45 3.64 -0.33 -2.02 116.57 121.23 3h1j h LYS 413 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3h1j h LYS 413 Cb 0.40 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3h1j h LYS 413 CO -0.35 0.08 -1.53 0.66 -2.27 0.00 0.00 179.45 176.04 3h1j n TYR 414 N -5.33 0.22 -0.02 1.91 4.02 -0.67 -4.80 117.16 112.49 3h1j n TYR 414 Ca 0.17 0.06 -0.04 0.00 -0.01 0.00 0.00 57.90 58.08 3h1j n TYR 414 Cb 0.57 -0.51 -0.01 0.00 -0.02 0.00 0.00 39.34 39.36 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 -2.19 1.17 -1.61 -0.72 5.41 0.19 -4.78 119.36 116.83 3h1j n ILE 415 Ca -0.01 0.27 -0.56 0.00 1.00 0.00 0.00 62.75 63.44 3h1j n ILE 415 Cb 0.51 -1.88 -0.07 0.00 -0.71 0.00 0.00 39.64 37.49 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 -3.78 1.45 -3.86 1.39 9.36 -0.79 -2.12 117.16 118.81 3h1j n TYR 416 Ca -0.06 0.76 -0.29 0.00 3.32 0.00 0.00 57.90 61.63 3h1j n TYR 416 Cb 0.23 -2.29 0.01 0.00 -0.63 0.00 0.00 39.34 36.66 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 3.00 -2.39 -4.41 2.98 4.64 0.08 -4.92 116.55 115.53 3h1j n ASP 417 Ca 0.22 -1.03 -0.29 0.00 -1.38 0.00 0.00 54.79 52.30 3h1j n ASP 417 Cb 0.13 -3.08 -0.13 0.00 -1.04 0.00 0.00 41.12 37.00 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 -6.40 1.48 -0.39 -0.67 -0.14 -0.90 -5.08 119.74 107.62 3h1j s LYS 418 Ca 0.21 -1.31 -0.23 0.00 -1.36 0.00 0.00 55.97 53.27 3h1j s LYS 418 Cb -0.08 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.15 3h1j s LYS 418 CO 0.88 0.46 0.79 0.00 -0.76 0.00 0.00 175.35 176.72 3h1j s PRO 420 N 3.18 1.49 -0.11 0.00 0.04 -1.26 -4.07 135.00 134.26 3h1j s PRO 420 Ca 0.31 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.36 3h1j s PRO 420 Cb -0.13 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3h1j s PRO 420 CO 0.19 -1.91 -0.12 0.00 0.04 0.00 0.00 177.00 175.20 3h1j s ALA 421 N -3.60 2.68 0.07 8.56 0.00 0.44 -1.91 121.76 128.00 3h1j s ALA 421 Ca 0.65 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.78 3h1j s ALA 421 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 3h1j s ALA 421 CO 0.51 0.33 -0.19 -1.17 0.00 0.00 0.00 175.76 175.24 3h1j s LEU 422 N 0.07 2.24 -0.07 0.00 2.96 0.45 -1.47 118.68 122.85 3h1j s LEU 422 Ca -0.05 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 3h1j s LEU 422 Cb -0.14 -0.81 0.04 0.00 0.50 0.00 0.00 46.19 45.78 3h1j s LEU 422 CO 0.04 0.06 0.15 0.00 -1.32 0.00 0.00 176.35 175.28 3h1j s ALA 423 N -1.04 -0.25 -0.01 5.97 0.00 -0.63 -1.24 121.76 124.56 3h1j s ALA 423 Ca 0.05 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3h1j s ALA 423 Cb -0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 3h1j s ALA 423 CO 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 175.76 175.54 3h1j s ALA 424 N 1.33 0.35 0.03 0.00 0.00 -0.86 -1.32 121.76 121.29 3h1j s ALA 424 Ca -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3h1j s ALA 424 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3h1j s ALA 424 CO -0.06 0.07 -0.07 0.08 0.00 0.00 0.00 175.76 175.79 3h1j s VAL 425 N -0.00 0.47 0.00 0.00 1.01 -0.21 -1.02 120.40 120.64 3h1j s VAL 425 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3h1j s VAL 425 Cb -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3h1j s VAL 425 CO -0.00 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.46 3h1j n GLY 426 N 1.90 0.22 2.35 4.51 0.00 -0.96 -1.23 105.19 111.99 3h1j n GLY 426 Ca -0.20 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 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 0.11 3.89 -0.25 1.61 -0.04 -1.15 -0.60 135.00 138.57 3h1j n PRO 427 Ca 0.00 -2.47 -0.01 0.00 -0.04 0.00 0.00 63.50 60.98 3h1j n PRO 427 Cb 0.00 -2.77 0.08 0.00 -0.04 0.00 0.00 33.50 30.77 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 3.20 0.99 -0.29 0.52 -5.35 -1.26 -4.49 119.36 112.67 3h1j n ILE 428 Ca 0.75 -0.39 -0.03 0.00 -0.27 0.00 0.00 62.75 62.81 3h1j n ILE 428 Cb 0.23 -0.59 0.12 0.00 -1.74 0.00 0.00 39.64 37.66 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 0.73 1.17 0.06 6.28 4.81 -1.89 -3.19 114.58 122.56 3h1j h GLU 429 Ca 0.06 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3h1j h GLU 429 Cb 1.08 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3h1j h GLU 429 CO 0.18 0.87 -0.03 0.37 -0.73 0.00 0.00 179.01 179.66 3h1j h GLN 430 N 1.17 -0.08 -6.92 1.92 4.15 -1.79 -3.41 115.11 110.15 3h1j h GLN 430 Ca 0.29 0.01 -0.53 0.00 0.77 0.00 0.00 58.65 59.19 3h1j h GLN 430 Cb 0.05 0.02 0.08 0.00 0.21 0.00 0.00 27.48 27.84 3h1j h GLN 430 CO -0.04 0.08 0.66 -1.17 -1.93 0.00 0.00 178.83 176.43 3h1j s LEU 431 N -9.89 4.31 0.11 -2.39 2.96 -1.20 -4.72 118.68 107.86 3h1j s LEU 431 Ca -0.14 2.77 -0.26 0.00 -0.22 0.00 0.00 54.13 56.28 3h1j s LEU 431 Cb 0.04 -3.76 0.08 0.00 0.50 0.00 0.00 46.19 43.06 3h1j s LEU 431 CO 0.65 -0.75 1.05 -0.22 -1.32 0.00 0.00 176.35 175.76 3h1j s LEU 432 N -2.13 -0.13 0.05 -0.68 0.20 -1.26 -4.98 118.68 109.75 3h1j s LEU 432 Ca 0.53 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.99 3h1j s LEU 432 Cb -0.41 1.96 0.00 0.00 -0.43 0.00 0.00 46.19 47.31 3h1j s LEU 432 CO 0.54 -0.76 0.00 -0.67 -0.29 0.00 0.00 176.35 175.17 3h1j n ASP 433 N -0.54 -7.01 -0.23 3.68 4.64 -1.26 -4.44 116.55 111.39 3h1j n ASP 433 Ca -0.06 1.57 0.03 0.00 -1.38 0.00 0.00 54.79 54.94 3h1j n ASP 433 Cb 0.61 -4.26 0.14 0.00 -1.04 0.00 0.00 41.12 36.58 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 4.21 0.40 0.05 -0.67 3.20 -1.99 -1.93 116.97 120.25 3h1j h TYR 434 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3h1j h TYR 434 Cb 0.00 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3h1j h TYR 434 CO 0.00 0.05 -0.29 -0.91 -1.64 0.00 0.00 178.16 175.37 3h1j h ASN 435 N 0.39 -0.86 -0.89 -2.11 2.35 -1.98 0.78 115.58 113.26 3h1j h ASN 435 Ca 0.36 0.11 0.15 0.00 -0.55 0.00 0.00 56.30 56.36 3h1j h ASN 435 Cb 0.51 0.34 -0.07 0.00 0.05 0.00 0.00 38.32 39.15 3h1j h ASN 435 CO -0.37 -0.37 0.57 0.03 -1.65 0.00 0.00 177.43 175.64 3h1j h ARG 436 N -0.47 0.65 -0.02 0.81 2.47 -1.66 0.46 114.38 116.62 3h1j h ARG 436 Ca 0.05 -0.04 -0.21 0.00 -1.26 0.00 0.00 59.98 58.52 3h1j h ARG 436 Cb 0.53 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3h1j h ARG 436 CO -0.22 0.43 -0.87 0.82 0.56 0.00 0.00 179.97 180.70 3h1j h ILE 437 N 0.67 1.41 -0.31 2.04 2.04 -0.52 -3.15 117.51 119.70 3h1j h ILE 437 Ca 0.45 -2.39 -0.05 0.00 1.00 0.00 0.00 64.86 63.86 3h1j h ILE 437 Cb 0.74 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 3h1j h ILE 437 CO -0.20 0.71 -0.04 -0.09 0.00 0.00 0.00 178.15 178.52 3h1j h ARG 438 N 0.22 0.48 0.00 2.37 9.65 0.26 -1.35 114.38 126.01 3h1j h ARG 438 Ca -0.06 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3h1j h ARG 438 Cb 1.49 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.00 3h1j h ARG 438 CO 0.15 0.55 0.00 0.43 2.80 0.00 0.00 179.97 183.89 3h1j n SER 439 N -4.26 0.49 0.00 -3.80 7.64 -0.33 -2.05 113.62 111.31 3h1j n SER 439 Ca 0.01 0.58 0.13 0.00 1.01 0.00 0.00 58.87 60.60 3h1j n SER 439 Cb 0.26 -0.70 0.71 0.00 -1.01 0.00 0.00 64.21 63.47 3h1j n SER 439 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h1j n GLY 440 N 0.69 -1.12 0.27 0.23 0.00 -0.51 -2.97 105.19 101.78 3h1j n GLY 440 Ca 0.04 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.23 1.37 -3.76 1.61 2.00 -0.87 -4.81 117.12 111.43 3h1j n MET 441 Ca 0.14 -0.54 -0.13 0.00 0.00 0.00 0.00 57.70 57.17 3h1j n MET 441 Cb 0.19 -1.41 -0.09 0.00 0.00 0.00 0.00 33.22 31.91 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 -1.94 -0.24 -0.04 2.03 -0.85 -1.16 -0.75 117.35 114.40 3h1j s TYR 442 Ca 0.36 0.46 -0.03 0.00 -0.52 0.00 0.00 57.07 57.34 3h1j s TYR 442 Cb 0.18 0.10 0.01 0.00 0.38 0.00 0.00 41.96 42.64 3h1j s TYR 442 CO 0.29 -0.33 0.06 1.87 -1.52 0.00 0.00 175.55 175.93 3h1j n TRP 443 N 1.76 -2.26 -0.82 -3.49 -0.00 -1.26 -5.04 117.44 106.34 3h1j n TRP 443 Ca -0.19 1.33 0.00 0.00 -0.00 0.00 0.00 57.50 58.64 3h1j n TRP 443 Cb 0.56 -2.78 0.00 0.00 -0.00 0.00 0.00 31.31 29.09 3h1j n TRP 443 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80