#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1j s LEU 4 N 1.55 2.44 0.03 0.00 2.96 0.14 0.18 118.68 125.97 3a1j s LEU 4 Ca 0.05 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3a1j s LEU 4 Cb -0.13 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3a1j s LEU 4 CO -0.10 0.01 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.18 3a1j s VAL 5 N 1.25 3.54 0.19 1.68 1.01 0.17 0.76 120.40 129.00 3a1j s VAL 5 Ca 0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3a1j s VAL 5 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3a1j s VAL 5 CO -0.07 0.33 0.17 0.42 0.00 0.00 0.00 175.10 175.95 3a1j s THR 6 N -1.04 0.02 0.00 3.92 -4.23 -1.26 -1.28 115.64 111.76 3a1j s THR 6 Ca 0.18 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 3a1j s THR 6 Cb -0.11 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3a1j s THR 6 CO 0.09 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3a1j n GLY 7 N -0.26 2.36 0.21 3.99 0.00 -1.24 -2.73 105.19 107.53 3a1j n GLY 7 Ca -0.00 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.63 3a1j n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a1j h GLY 8 N 0.00 0.00 1.53 -0.02 0.00 -1.98 -3.00 103.07 99.60 3a1j h GLY 8 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3a1j h GLY 8 CO 0.00 0.00 0.22 3.43 0.00 0.00 0.00 176.54 180.19 3a1j h ASN 9 N 0.00 0.00 -0.08 0.19 4.21 -1.88 0.74 115.58 118.76 3a1j h ASN 9 Ca -0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 3a1j h ASN 9 Cb 0.72 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 3a1j h ASN 9 CO 0.04 0.00 -0.38 1.62 -1.29 0.00 0.00 177.43 177.42 3a1j h VAL 10 N 0.00 1.40 -0.53 2.81 3.04 -1.61 -1.99 116.25 119.37 3a1j h VAL 10 Ca 0.03 -1.75 -0.05 0.00 -1.01 0.00 0.00 66.70 63.92 3a1j h VAL 10 Cb 0.46 2.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.98 3a1j h VAL 10 CO -0.00 0.51 0.11 0.50 -1.01 0.00 0.00 177.57 177.69 3a1j h LYS 11 N -0.05 0.81 -0.10 4.17 3.64 -1.07 -1.99 116.57 121.98 3a1j h LYS 11 Ca -0.02 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.06 3a1j h LYS 11 Cb 1.03 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3a1j h LYS 11 CO 0.08 0.74 -0.49 -0.39 -2.27 0.00 0.00 179.45 177.13 3a1j h VAL 12 N 0.78 1.34 -0.52 2.00 -1.51 -1.30 -2.18 116.25 114.87 3a1j h VAL 12 Ca 0.17 -1.71 -0.07 0.00 -1.23 0.00 0.00 66.70 63.86 3a1j h VAL 12 Cb 0.31 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 3a1j h VAL 12 CO 0.00 0.51 0.04 0.25 -1.23 0.00 0.00 177.57 177.14 3a1j h LEU 13 N 0.21 0.82 -0.67 4.19 5.85 -0.87 -1.70 115.31 123.14 3a1j h LEU 13 Ca 0.01 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3a1j h LEU 13 Cb 0.94 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3a1j h LEU 13 CO 0.08 0.86 0.31 1.23 -0.34 0.00 0.00 178.44 180.57 3a1j h GLY 14 N 0.99 1.04 1.13 3.75 0.00 -1.03 -2.52 103.07 106.42 3a1j h GLY 14 Ca 0.16 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3a1j h GLY 14 CO 0.02 0.50 0.21 0.50 0.00 0.00 0.00 176.54 177.77 3a1j h LYS 15 N 0.93 1.09 -0.78 4.80 1.57 -0.98 -1.70 116.57 121.49 3a1j h LYS 15 Ca 0.23 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3a1j h LYS 15 Cb 0.14 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3a1j h LYS 15 CO -0.03 0.94 0.52 0.00 -0.57 0.00 0.00 179.45 180.31 3a1j h ALA 16 N 1.18 1.49 -0.21 3.86 0.00 -1.00 0.74 119.26 125.31 3a1j h ALA 16 Ca 0.23 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3a1j h ALA 16 Cb 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a1j h ALA 16 CO -0.01 0.46 -0.39 0.28 0.00 0.00 0.00 179.25 179.59 3a1j h VAL 17 N 1.01 1.32 -0.29 0.00 2.07 -1.02 0.26 116.25 119.61 3a1j h VAL 17 Ca 0.30 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.21 3a1j h VAL 17 Cb -0.04 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3a1j h VAL 17 CO -0.08 0.50 0.18 0.45 0.02 0.00 0.00 177.57 178.65 3a1j h HIS 18 N 0.32 0.35 -0.16 1.57 -0.00 -0.86 0.33 115.15 116.71 3a1j h HIS 18 Ca 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3a1j h HIS 18 Cb 0.99 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 3a1j h HIS 18 CO 0.09 0.22 0.06 1.03 -0.00 0.00 0.00 177.93 179.32 3a1j h SER 19 N 0.38 0.19 0.60 2.45 0.87 -0.78 -1.95 113.55 115.30 3a1j h SER 19 Ca 0.11 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.38 3a1j h SER 19 Cb -0.03 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3a1j h SER 19 CO -0.03 0.18 -1.27 0.25 -0.53 0.00 0.00 176.83 175.43 3a1j h LEU 20 N 0.22 0.46 -0.15 2.23 5.85 0.11 -3.20 115.31 120.82 3a1j h LEU 20 Ca 0.06 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3a1j h LEU 20 Cb 0.05 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3a1j h LEU 20 CO -0.01 1.39 0.00 -1.54 -0.34 0.00 0.00 178.44 177.94 3a1j n SER 21 N -3.55 0.09 -0.52 1.25 3.41 0.11 -1.15 113.62 113.25 3a1j n SER 21 Ca -0.09 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 3a1j n SER 21 Cb 1.03 -0.55 0.48 0.00 -0.26 0.00 0.00 64.21 64.92 3a1j n SER 21 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a1j n ARG 22 N -1.61 1.72 -0.01 4.33 1.74 -1.11 -4.44 116.66 117.28 3a1j n ARG 22 Ca 0.02 -1.05 -0.02 0.00 -0.77 0.00 0.00 57.85 56.03 3a1j n ARG 22 Cb 0.09 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3a1j n ARG 22 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3a1j n ILE 23 N 0.27 0.62 -4.25 0.55 2.08 -0.30 -4.64 119.36 113.69 3a1j n ILE 23 Ca 0.18 0.25 -0.27 0.00 0.56 0.00 0.00 62.75 63.48 3a1j n ILE 23 Cb 0.37 -1.54 -0.06 0.00 -0.75 0.00 0.00 39.64 37.65 3a1j n ILE 23 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3a1j s GLY 24 N -3.64 2.50 -0.00 7.39 0.00 -1.14 -4.41 107.32 108.01 3a1j s GLY 24 Ca -0.06 -1.59 0.20 0.00 0.00 0.00 0.00 44.72 43.27 3a1j s GLY 24 CO 0.09 -1.99 0.79 1.22 0.00 0.00 0.00 173.10 173.20 3a1j n ASP 25 N -1.33 0.84 -4.22 1.64 8.00 -1.26 -4.62 116.55 115.60 3a1j n ASP 25 Ca -0.05 -0.82 -0.28 0.00 0.71 0.00 0.00 54.79 54.34 3a1j n ASP 25 Cb 0.65 1.15 -0.16 0.00 -0.02 0.00 0.00 41.12 42.74 3a1j n ASP 25 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3a1j s GLU 26 N -2.97 2.00 -0.24 -1.24 2.56 -1.26 -4.46 118.70 113.09 3a1j s GLU 26 Ca 0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 54.97 54.18 3a1j s GLU 26 Cb 0.15 -1.80 -0.03 0.00 2.00 0.00 0.00 34.13 34.45 3a1j s GLU 26 CO 0.83 0.38 0.09 -1.17 -0.56 0.00 0.00 175.26 174.82 3a1j s LEU 27 N -0.25 3.60 -0.17 2.70 2.96 0.14 -4.49 118.68 123.17 3a1j s LEU 27 Ca 0.01 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.68 3a1j s LEU 27 Cb -0.11 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3a1j s LEU 27 CO 0.01 0.00 0.21 -0.31 -1.32 0.00 0.00 176.35 174.95 3a1j s TYR 28 N 1.40 3.46 -0.13 5.38 2.02 0.16 0.37 117.35 130.00 3a1j s TYR 28 Ca 0.06 0.48 -0.00 0.00 -0.37 0.00 0.00 57.07 57.24 3a1j s TYR 28 Cb -0.15 -2.23 0.02 0.00 -0.40 0.00 0.00 41.96 39.21 3a1j s TYR 28 CO 0.04 0.31 -0.10 -1.17 -1.57 0.00 0.00 175.55 173.06 3a1j s LEU 29 N 0.26 1.38 -0.27 -1.29 0.20 0.68 -0.65 118.68 118.99 3a1j s LEU 29 Ca 0.13 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.58 3a1j s LEU 29 Cb -0.12 -0.97 0.08 0.00 -0.43 0.00 0.00 46.19 44.75 3a1j s LEU 29 CO 0.02 -0.09 0.02 -1.61 -0.29 0.00 0.00 176.35 174.39 3a1j s GLU 30 N 1.60 1.19 -0.33 1.98 2.02 -0.44 -2.24 118.70 122.48 3a1j s GLU 30 Ca 0.05 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 53.67 3a1j s GLU 30 Cb -0.13 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3a1j s GLU 30 CO -0.09 -0.78 1.35 -1.25 0.02 0.00 0.00 175.26 174.51 3a1j s PRO 31 N 1.45 3.81 0.39 0.39 0.04 -1.25 -1.84 135.00 137.99 3a1j s PRO 31 Ca 0.02 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.32 3a1j s PRO 31 Cb -0.18 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 3a1j s PRO 31 CO -0.13 -1.25 0.48 -0.51 0.04 0.00 0.00 177.00 175.63 3a1j s LEU 32 N 4.71 3.69 0.14 -3.56 1.43 0.10 -4.89 118.68 120.30 3a1j s LEU 32 Ca 0.58 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 3a1j s LEU 32 Cb -0.16 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3a1j s LEU 32 CO 0.26 -0.61 1.76 -0.08 0.23 0.00 0.00 176.35 177.91 3a1j h GLU 33 N 0.85 0.25 -0.84 1.70 4.81 -1.99 -2.47 114.58 116.90 3a1j h GLU 33 Ca -0.42 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.68 3a1j h GLU 33 Cb 1.27 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 3a1j h GLU 33 CO 0.51 0.17 0.14 -0.40 -0.73 0.00 0.00 179.01 178.69 3a1j n ASP 34 N -5.00 3.72 0.00 1.04 3.85 -1.26 -4.88 116.55 114.01 3a1j n ASP 34 Ca -0.01 -2.70 0.00 0.00 -0.71 0.00 0.00 54.79 51.37 3a1j n ASP 34 Cb 0.09 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 39.21 3a1j n ASP 34 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a1j n GLY 35 N 0.07 3.08 3.69 6.12 0.00 -0.93 -4.18 105.19 113.04 3a1j n GLY 35 Ca 0.23 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3a1j n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a1j s LEU 36 N 0.00 4.22 -0.19 0.99 2.96 -0.61 0.02 118.68 126.07 3a1j s LEU 36 Ca 0.00 1.10 -0.05 0.00 -0.22 0.00 0.00 54.13 54.95 3a1j s LEU 36 Cb 0.00 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3a1j s LEU 36 CO 0.00 -0.26 0.01 -0.55 -1.32 0.00 0.00 176.35 174.23 3a1j s SER 37 N 1.03 4.95 -0.14 3.68 0.15 -0.76 -0.11 113.70 122.49 3a1j s SER 37 Ca 0.36 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.88 3a1j s SER 37 Cb -0.17 -1.84 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 3a1j s SER 37 CO 0.14 0.09 -0.20 -0.76 1.20 0.00 0.00 173.24 173.72 3a1j s LEU 38 N 0.82 2.01 0.07 3.45 1.43 -0.13 -1.33 118.68 125.00 3a1j s LEU 38 Ca 0.01 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3a1j s LEU 38 Cb -0.14 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3a1j s LEU 38 CO 0.02 0.04 -0.06 -0.13 0.23 0.00 0.00 176.35 176.45 3a1j s ARG 39 N 0.99 0.71 0.21 1.70 0.52 0.18 -1.24 118.95 122.01 3a1j s ARG 39 Ca -0.04 -1.14 -0.13 0.00 -0.52 0.00 0.00 55.73 53.90 3a1j s ARG 39 Cb -0.15 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.15 3a1j s ARG 39 CO -0.05 -0.01 0.43 -0.08 0.02 0.00 0.00 175.30 175.62 3a1j s THR 40 N -2.98 0.03 0.04 0.02 -1.32 -0.84 0.36 115.64 110.95 3a1j s THR 40 Ca 0.04 -1.24 -0.06 0.00 -1.21 0.00 0.00 61.69 59.22 3a1j s THR 40 Cb 0.01 -1.94 -0.01 0.00 -1.51 0.00 0.00 72.50 69.05 3a1j s THR 40 CO -0.04 -0.12 0.11 0.54 -2.21 0.00 0.00 174.62 172.91 3a1j s VAL 41 N -3.97 0.13 0.85 5.08 0.11 -1.26 -2.12 120.40 119.22 3a1j s VAL 41 Ca 0.17 -1.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.06 3a1j s VAL 41 Cb 0.00 -0.87 0.11 0.00 -1.53 0.00 0.00 36.38 34.09 3a1j s VAL 41 CO 0.03 -0.58 1.18 0.20 -3.33 0.00 0.00 175.10 172.61 3a1j s ASN 42 N -2.08 3.28 0.39 3.54 0.02 0.48 -4.00 114.94 116.57 3a1j s ASN 42 Ca -0.05 2.30 0.28 0.00 -1.02 0.00 0.00 52.86 54.36 3a1j s ASN 42 Cb -0.01 -2.58 1.15 0.00 0.02 0.00 0.00 41.25 39.83 3a1j s ASN 42 CO -0.04 -2.87 1.84 0.77 0.02 0.00 0.00 177.10 176.81 3a1j h SER 43 N -1.33 0.00 -0.16 -1.22 4.64 -1.92 -1.94 113.55 111.62 3a1j h SER 43 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3a1j h SER 43 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3a1j h SER 43 CO 0.44 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.86 3a1j n SER 44 N -2.64 2.32 -2.91 4.97 3.41 -1.26 -4.99 113.62 112.53 3a1j n SER 44 Ca 0.01 -1.71 -0.22 0.00 -0.26 0.00 0.00 58.87 56.70 3a1j n SER 44 Cb 0.27 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3a1j n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a1j n ARG 45 N 0.46 -4.77 0.00 4.33 5.12 -0.73 -4.88 116.66 116.19 3a1j n ARG 45 Ca 0.08 0.88 0.04 0.00 -1.93 0.00 0.00 57.85 56.92 3a1j n ARG 45 Cb 0.32 -5.68 0.03 0.00 -1.16 0.00 0.00 32.46 25.98 3a1j n ARG 45 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3a1j n SER 46 N -2.36 1.61 -3.90 0.55 3.41 -1.26 -4.91 113.62 106.75 3a1j n SER 46 Ca -0.11 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.04 3a1j n SER 46 Cb 0.62 0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 64.49 3a1j n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a1j s ALA 47 N -0.79 0.30 -0.02 7.33 0.00 -1.26 -2.16 121.76 125.16 3a1j s ALA 47 Ca 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.99 3a1j s ALA 47 Cb 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3a1j s ALA 47 CO 0.12 0.04 -0.03 -0.47 0.00 0.00 0.00 175.76 175.42 3a1j s TYR 48 N 0.16 0.51 0.02 0.00 5.04 -0.09 -0.39 117.35 122.60 3a1j s TYR 48 Ca -0.01 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.54 3a1j s TYR 48 Cb -0.04 -0.45 -0.01 0.00 0.35 0.00 0.00 41.96 41.81 3a1j s TYR 48 CO -0.00 -0.10 -0.09 0.00 -1.34 0.00 0.00 175.55 174.02 3a1j s ALA 49 N 0.56 0.69 -0.14 3.97 0.00 -0.90 0.11 121.76 126.04 3a1j s ALA 49 Ca -0.06 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 3a1j s ALA 49 Cb -0.10 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.96 3a1j s ALA 49 CO -0.00 0.12 0.37 0.00 0.00 0.00 0.00 175.76 176.24 3a1j s PHE 51 N 0.74 2.32 -0.27 0.00 0.08 -0.38 -0.39 117.98 120.09 3a1j s PHE 51 Ca -0.04 -0.92 0.03 0.00 0.12 0.00 0.00 56.93 56.11 3a1j s PHE 51 Cb -0.06 -1.57 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 3a1j s PHE 51 CO -0.05 -0.38 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.44 3a1j s LEU 52 N 0.38 3.47 -0.57 -0.37 2.96 0.18 -0.96 118.68 123.77 3a1j s LEU 52 Ca -0.17 -1.46 -0.21 0.00 -0.22 0.00 0.00 54.13 52.07 3a1j s LEU 52 Cb -0.17 -1.51 0.07 0.00 0.50 0.00 0.00 46.19 45.08 3a1j s LEU 52 CO 0.08 -0.22 0.79 -0.36 -1.32 0.00 0.00 176.35 175.32 3a1j s PHE 53 N 1.12 2.89 0.64 5.38 0.08 0.84 -1.47 117.98 127.47 3a1j s PHE 53 Ca -0.06 -0.54 -0.17 0.00 0.12 0.00 0.00 56.93 56.28 3a1j s PHE 53 Cb -0.20 -3.94 -0.07 0.00 -0.57 0.00 0.00 43.02 38.24 3a1j s PHE 53 CO -0.06 -1.31 0.46 0.00 -0.10 0.00 0.00 175.22 174.21 3a1j n ALA 54 N 6.85 -1.51 -0.28 5.36 0.00 0.78 -1.57 120.51 130.14 3a1j n ALA 54 Ca -0.05 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.35 3a1j n ALA 54 Cb 0.45 -1.80 0.23 0.00 0.00 0.00 0.00 19.45 18.33 3a1j n ALA 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3a1j h PRO 55 N -0.06 0.19 0.00 0.00 0.11 -1.87 0.24 132.00 130.60 3a1j h PRO 55 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3a1j h PRO 55 Cb 1.38 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3a1j h PRO 55 CO 0.44 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 179.64 3a1j n LEU 56 N -5.24 0.00 0.12 2.35 7.99 -1.26 -1.90 117.00 119.06 3a1j n LEU 56 Ca 0.18 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.19 3a1j n LEU 56 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 3a1j n LEU 56 CO 0.07 0.00 0.37 0.15 -1.51 0.00 0.00 177.39 176.47 3a1j h PHE 57 N 0.00 0.00 -2.21 -1.77 3.57 -1.21 -3.45 116.94 111.87 3a1j h PHE 57 Ca 0.00 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 61.03 3a1j h PHE 57 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3a1j h PHE 57 CO 0.00 0.56 -0.45 -0.06 -2.23 0.00 0.00 178.31 176.13 3a1j s PHE 58 N -2.93 3.39 0.07 0.41 0.08 -0.80 -4.75 117.98 113.45 3a1j s PHE 58 Ca 0.03 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.06 3a1j s PHE 58 Cb 0.08 -1.54 -0.25 0.00 -0.57 0.00 0.00 43.02 40.73 3a1j s PHE 58 CO 0.76 0.46 1.09 0.37 -0.10 0.00 0.00 175.22 177.79 3a1j h GLN 59 N 1.26 0.15 -3.35 0.44 4.15 0.06 -3.44 115.11 114.39 3a1j h GLN 59 Ca -0.51 -0.26 -0.32 0.00 0.77 0.00 0.00 58.65 58.32 3a1j h GLN 59 Cb 1.23 0.10 -0.36 0.00 0.21 0.00 0.00 27.48 28.66 3a1j h GLN 59 CO 0.61 1.06 -0.71 -0.65 -1.93 0.00 0.00 178.83 177.22 3a1j s GLN 60 N -2.66 -0.03 -0.12 1.69 -0.21 -1.18 -5.00 119.66 112.15 3a1j s GLN 60 Ca -0.03 0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.67 3a1j s GLN 60 Cb 0.08 -0.35 0.03 0.00 1.00 0.00 0.00 33.01 33.77 3a1j s GLN 60 CO 0.85 -0.25 -0.04 -0.47 -2.12 0.00 0.00 175.29 173.26 3a1j s TYR 61 N 1.70 1.26 -0.34 0.91 5.04 -1.26 -0.69 117.35 123.98 3a1j s TYR 61 Ca -0.02 -0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 53.93 3a1j s TYR 61 Cb -0.12 -1.11 0.11 0.00 0.35 0.00 0.00 41.96 41.19 3a1j s TYR 61 CO -0.04 -0.50 0.14 -0.65 -1.34 0.00 0.00 175.55 173.17 3a1j s GLN 62 N 1.78 0.70 0.18 4.97 -0.21 0.48 -5.00 119.66 122.56 3a1j s GLN 62 Ca 0.03 -1.18 -0.10 0.00 0.02 0.00 0.00 55.36 54.13 3a1j s GLN 62 Cb -0.14 -1.81 0.08 0.00 1.00 0.00 0.00 33.01 32.14 3a1j s GLN 62 CO -0.07 -1.06 1.67 0.00 -2.12 0.00 0.00 175.29 173.72 3a1j h ALA 63 N 7.75 0.84 -2.74 6.09 0.00 -1.87 0.14 119.26 129.46 3a1j h ALA 63 Ca -0.10 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 54.05 3a1j h ALA 63 Cb 0.99 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3a1j h ALA 63 CO 0.44 0.60 0.40 0.00 0.00 0.00 0.00 179.25 180.69 3a1j s ALA 64 N -5.20 3.35 -0.06 0.00 0.00 -1.26 -4.78 121.76 113.81 3a1j s ALA 64 Ca -0.12 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3a1j s ALA 64 Cb 0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3a1j s ALA 64 CO 0.84 0.04 -0.16 0.95 0.00 0.00 0.00 175.76 177.43 3a1j s THR 65 N -0.98 2.87 0.20 0.00 -4.23 -1.26 -4.71 115.64 107.52 3a1j s THR 65 Ca 0.43 -0.78 -0.32 0.00 -1.18 0.00 0.00 61.69 59.84 3a1j s THR 65 Cb -0.28 -2.12 -0.12 0.00 1.34 0.00 0.00 72.50 71.32 3a1j s THR 65 CO 0.35 0.58 1.71 -2.65 -0.54 0.00 0.00 174.62 174.06 3a1j n PRO 66 N 2.59 2.69 0.00 3.99 -0.02 -1.26 -4.64 135.00 138.35 3a1j n PRO 66 Ca -0.17 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3a1j n PRO 66 Cb 0.52 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 3a1j n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1j n GLY 67 N 3.90 2.87 3.52 -1.23 0.00 -1.26 -3.76 105.19 109.22 3a1j n GLY 67 Ca 0.16 -1.92 -0.46 0.00 0.00 0.00 0.00 46.02 43.81 3a1j n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3a1j n GLN 68 N 0.17 1.42 -3.64 1.61 0.00 -1.26 -4.85 117.38 110.82 3a1j n GLN 68 Ca 0.00 0.35 -0.02 0.00 -0.00 0.00 0.00 57.00 57.33 3a1j n GLN 68 Cb 0.00 -2.87 -0.01 0.00 0.00 0.00 0.00 30.24 27.36 3a1j n GLN 68 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 3a1j s ASP 69 N 8.34 -0.15 -0.37 1.69 -4.77 -1.26 -4.97 116.67 115.18 3a1j s ASP 69 Ca 1.06 -0.17 0.05 0.00 -3.30 0.00 0.00 52.55 50.18 3a1j s ASP 69 Cb -0.57 0.28 0.29 0.00 -1.09 0.00 0.00 42.92 41.83 3a1j s ASP 69 CO 0.41 -0.50 1.27 -0.11 0.70 0.00 0.00 175.17 176.94 3a1j n LEU 70 N -0.38 -1.57 -1.95 2.11 0.00 -1.26 -4.85 117.00 109.10 3a1j n LEU 70 Ca -0.06 -2.48 -0.27 0.00 0.00 0.00 0.00 56.01 53.19 3a1j n LEU 70 Cb 0.61 0.88 -0.04 0.00 0.00 0.00 0.00 43.42 44.87 3a1j n LEU 70 CO 0.12 1.68 0.43 -0.11 0.00 0.00 0.00 177.39 179.51 3a1j n LEU 71 N 0.21 0.40 -3.46 -1.96 7.94 -1.26 -5.01 117.00 113.86 3a1j n LEU 71 Ca -0.06 0.49 -0.14 0.00 -1.11 0.00 0.00 56.01 55.19 3a1j n LEU 71 Cb 0.73 -0.37 -0.11 0.00 0.53 0.00 0.00 43.42 44.20 3a1j n LEU 71 CO -0.06 -0.44 -0.14 -0.13 -1.11 0.00 0.00 177.39 175.51 3a1j s ARG 72 N 0.99 0.25 0.10 1.96 0.52 -1.26 -3.96 118.95 117.55 3a1j s ARG 72 Ca 0.42 0.39 -0.06 0.00 -0.52 0.00 0.00 55.73 55.96 3a1j s ARG 72 Cb -0.60 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.05 3a1j s ARG 72 CO 0.32 -0.61 0.15 0.00 0.02 0.00 0.00 175.30 175.18 3a1j s LYS 74 N -3.92 1.60 0.01 0.00 -2.85 -0.51 -0.23 119.74 113.84 3a1j s LYS 74 Ca 0.11 -1.00 0.01 0.00 -1.00 0.00 0.00 55.97 54.08 3a1j s LYS 74 Cb 0.06 -1.73 -0.01 0.00 -2.06 0.00 0.00 37.83 34.09 3a1j s LYS 74 CO -0.07 0.45 -0.02 0.42 0.10 0.00 0.00 175.35 176.23 3a1j s ILE 75 N -0.77 0.16 0.00 3.79 1.01 0.16 -1.77 121.20 123.77 3a1j s ILE 75 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3a1j s ILE 75 Cb -0.09 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.19 3a1j s ILE 75 CO 0.02 -0.11 0.00 -0.11 0.00 0.00 0.00 174.94 174.73 3a1j n LEU 76 N 2.60 0.00 0.00 2.97 7.94 -1.26 0.28 117.00 129.53 3a1j n LEU 76 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 3a1j n LEU 76 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 3a1j n LEU 76 CO 0.24 -0.94 0.00 1.17 -1.11 0.00 0.00 177.39 176.75 3a1j n LYS 78 N -0.60 0.00 -0.30 1.96 4.81 -1.26 -2.07 118.16 120.69 3a1j n LYS 78 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 3a1j n LYS 78 Cb 0.00 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.12 3a1j n LYS 78 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3a1j h SER 79 N 0.00 1.03 -0.13 3.14 0.02 -1.96 -0.66 113.55 114.98 3a1j h SER 79 Ca 0.00 -0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 60.63 3a1j h SER 79 Cb 0.00 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.28 3a1j h SER 79 CO 0.00 0.84 -0.73 0.15 -1.14 0.00 0.00 176.83 175.95 3a1j h PHE 80 N 1.14 1.03 -0.39 3.45 3.57 -1.76 -3.18 116.94 120.80 3a1j h PHE 80 Ca 0.29 -0.44 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 3a1j h PHE 80 Cb 0.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3a1j h PHE 80 CO 0.01 1.26 -0.00 1.25 -2.23 0.00 0.00 178.31 178.60 3a1j h LEU 81 N 0.54 0.58 -1.41 0.59 5.85 -1.76 -2.34 115.31 117.37 3a1j h LEU 81 Ca -0.04 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3a1j h LEU 81 Cb 1.35 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3a1j h LEU 81 CO 0.15 0.66 0.47 0.77 -0.34 0.00 0.00 178.44 180.15 3a1j h SER 82 N 0.59 0.61 -0.84 1.25 4.64 -1.10 0.89 113.55 119.59 3a1j h SER 82 Ca 0.12 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.49 3a1j h SER 82 Cb 0.37 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 3a1j h SER 82 CO 0.01 0.38 0.53 0.58 -0.87 0.00 0.00 176.83 177.47 3a1j h VAL 83 N 0.69 1.10 -0.44 0.95 2.07 -1.47 -2.76 116.25 116.38 3a1j h VAL 83 Ca 0.32 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3a1j h VAL 83 Cb 0.35 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3a1j h VAL 83 CO -0.11 0.19 0.00 0.49 0.02 0.00 0.00 177.57 178.16 3a1j n PHE 84 N -4.59 0.70 -0.40 1.57 3.01 -0.53 -4.79 117.46 112.43 3a1j n PHE 84 Ca 0.11 -0.54 -0.07 0.00 1.01 0.00 0.00 57.45 57.95 3a1j n PHE 84 Cb 0.12 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.48 3a1j n PHE 84 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3a1j n ARG 85 N 0.70 -0.36 -2.96 -1.08 0.63 0.30 -3.76 116.66 110.13 3a1j n ARG 85 Ca 0.16 1.50 -0.44 0.00 -0.92 0.00 0.00 57.85 58.15 3a1j n ARG 85 Cb 0.55 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 31.22 3a1j n ARG 85 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3a1j s SER 86 N -5.44 6.62 0.37 6.15 0.15 -1.26 -4.85 113.70 115.43 3a1j s SER 86 Ca -0.12 -2.06 0.22 0.00 0.70 0.00 0.00 55.95 54.68 3a1j s SER 86 Cb 0.14 -2.38 1.18 0.00 -1.71 0.00 0.00 66.02 63.25 3a1j s SER 86 CO 0.65 -1.04 1.64 -0.07 1.20 0.00 0.00 173.24 175.62 3a1j h LEU 87 N 10.22 0.00 -1.08 3.45 3.38 -1.99 -1.87 115.31 127.41 3a1j h LEU 87 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3a1j h LEU 87 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3a1j h LEU 87 CO 1.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.61 3a1j n ALA 88 N -1.75 2.18 0.00 1.53 0.00 -1.26 -2.15 120.51 119.06 3a1j n ALA 88 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3a1j n ALA 88 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3a1j n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a1j n LEU 90 N 0.15 0.00 -0.18 0.00 4.77 -0.71 -1.96 117.00 119.07 3a1j n LEU 90 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 3a1j n LEU 90 Cb 0.21 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.63 3a1j n LEU 90 CO 0.00 0.00 0.60 1.21 -1.33 0.00 0.00 177.39 177.87 3a1j n GLU 91 N 0.00 -0.03 0.00 3.23 2.13 -0.91 -2.16 120.64 122.89 3a1j n GLU 91 Ca 0.00 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.61 3a1j n GLU 91 Cb 0.00 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.30 3a1j n GLU 91 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3a1j n LYS 92 N -4.31 0.00 0.21 5.31 5.02 -0.83 -4.79 118.16 118.77 3a1j n LYS 92 Ca 0.21 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.55 3a1j n LYS 92 Cb 0.72 -0.26 0.44 0.00 -0.02 0.00 0.00 35.03 35.92 3a1j n LYS 92 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3a1j h THR 93 N 0.00 1.12 -3.31 -0.18 1.35 -1.80 -3.45 112.91 106.63 3a1j h THR 93 Ca 0.00 -1.01 -0.57 0.00 -0.55 0.00 0.00 66.41 64.28 3a1j h THR 93 Cb 0.00 1.56 -0.06 0.00 -1.73 0.00 0.00 68.15 67.92 3a1j h THR 93 CO 0.00 0.28 0.39 -0.69 -0.25 0.00 0.00 175.52 175.25 3a1j s VAL 94 N -4.28 4.88 -0.21 6.82 1.01 -0.92 -0.75 120.40 126.94 3a1j s VAL 94 Ca -0.03 1.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.61 3a1j s VAL 94 Cb 0.14 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 3a1j s VAL 94 CO 0.70 0.06 -0.25 -0.62 0.00 0.00 0.00 175.10 174.99 3a1j n GLU 95 N 4.89 0.47 -4.35 2.72 1.02 -0.06 -4.81 120.64 120.51 3a1j n GLU 95 Ca 0.05 0.18 -0.20 0.00 -0.02 0.00 0.00 57.16 57.17 3a1j n GLU 95 Cb 0.49 -1.31 -0.13 0.00 -0.02 0.00 0.00 31.44 30.47 3a1j n GLU 95 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3a1j s LYS 96 N -2.40 0.91 -0.09 3.49 1.02 -0.88 -3.62 119.74 118.16 3a1j s LYS 96 Ca -0.30 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 54.99 3a1j s LYS 96 Cb 0.10 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.53 3a1j s LYS 96 CO 0.41 0.22 -0.12 0.00 -0.92 0.00 0.00 175.35 174.95 3a1j s ILE 99 N 1.13 4.03 0.08 0.00 1.01 0.13 -1.12 121.20 126.45 3a1j s ILE 99 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.33 3a1j s ILE 99 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3a1j s ILE 99 CO -0.05 0.44 -0.05 -0.44 0.00 0.00 0.00 174.94 174.84 3a1j s SER 100 N 0.88 0.80 -0.24 3.58 0.01 0.60 -0.41 113.70 118.92 3a1j s SER 100 Ca 0.01 -1.01 -0.21 0.00 1.31 0.00 0.00 55.95 56.05 3a1j s SER 100 Cb -0.14 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.30 3a1j s SER 100 CO 0.02 -0.54 0.64 -0.22 0.41 0.00 0.00 173.24 173.55 3a1j s LEU 101 N -2.98 -0.50 0.23 2.44 0.20 -1.26 -1.35 118.68 115.45 3a1j s LEU 101 Ca 0.10 1.31 0.10 0.00 0.69 0.00 0.00 54.13 56.32 3a1j s LEU 101 Cb 0.07 2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 47.98 3a1j s LEU 101 CO -0.07 -0.22 -0.07 0.20 -0.29 0.00 0.00 176.35 175.89 3a1j s ASN 102 N 0.54 4.27 0.35 3.68 0.02 -1.26 -4.82 114.94 117.72 3a1j s ASN 102 Ca -0.02 -0.67 0.08 0.00 -1.02 0.00 0.00 52.86 51.23 3a1j s ASN 102 Cb -0.05 -0.71 0.66 0.00 0.02 0.00 0.00 41.25 41.17 3a1j s ASN 102 CO -0.02 0.05 1.84 1.23 0.02 0.00 0.00 177.10 180.23 3a1j h GLY 103 N 2.41 0.30 -2.81 0.66 0.00 -1.91 -2.62 103.07 99.10 3a1j h GLY 103 Ca -0.45 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3a1j h GLY 103 CO 0.57 0.19 0.00 -0.96 0.00 0.00 0.00 176.54 176.35 3a1j n ARG 104 N -4.20 3.57 -3.73 4.80 1.85 -1.26 -4.93 116.66 112.76 3a1j n ARG 104 Ca -0.01 -2.82 -0.29 0.00 -1.00 0.00 0.00 57.85 53.73 3a1j n ARG 104 Cb 0.33 -1.83 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 3a1j n ARG 104 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3a1j s SER 105 N -1.00 6.42 -0.06 2.89 0.15 -0.99 -5.01 113.70 116.10 3a1j s SER 105 Ca 0.48 0.45 0.14 0.00 0.70 0.00 0.00 55.95 57.72 3a1j s SER 105 Cb 0.31 -2.03 -0.20 0.00 -1.71 0.00 0.00 66.02 62.39 3a1j s SER 105 CO 0.23 0.03 0.22 -1.54 1.20 0.00 0.00 173.24 173.38 3a1j n SER 106 N -0.23 1.68 -4.79 5.45 3.41 -1.26 -4.80 113.62 113.07 3a1j n SER 106 Ca -0.04 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.30 3a1j n SER 106 Cb 0.53 1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 65.78 3a1j n SER 106 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3a1j s ARG 107 N -2.76 2.87 -0.16 4.33 0.52 -1.26 -4.26 118.95 118.22 3a1j s ARG 107 Ca -0.06 -0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 54.16 3a1j s ARG 107 Cb 0.07 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 3a1j s ARG 107 CO 0.59 0.49 0.28 -1.17 0.02 0.00 0.00 175.30 175.50 3a1j s LEU 108 N -3.01 4.24 -0.23 2.53 2.96 0.68 -4.77 118.68 121.08 3a1j s LEU 108 Ca 0.31 0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.62 3a1j s LEU 108 Cb -0.10 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 3a1j s LEU 108 CO 0.23 0.11 0.08 -0.69 -1.32 0.00 0.00 176.35 174.76 3a1j s VAL 109 N 0.43 4.60 -0.20 1.68 1.01 -0.46 0.27 120.40 127.73 3a1j s VAL 109 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 3a1j s VAL 109 Cb -0.13 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3a1j s VAL 109 CO 0.03 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 3a1j s VAL 110 N 1.22 2.41 -0.20 2.92 1.01 -0.06 -0.29 120.40 127.39 3a1j s VAL 110 Ca 0.05 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3a1j s VAL 110 Cb -0.14 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.20 3a1j s VAL 110 CO 0.04 0.44 -0.12 -1.58 0.00 0.00 0.00 175.10 173.88 3a1j s GLN 111 N 1.32 2.20 -0.20 2.72 0.74 -0.28 -0.10 119.66 126.06 3a1j s GLN 111 Ca 0.04 -0.91 -0.19 0.00 0.05 0.00 0.00 55.36 54.35 3a1j s GLN 111 Cb -0.14 -2.50 -0.03 0.00 1.10 0.00 0.00 33.01 31.43 3a1j s GLN 111 CO -0.10 -0.41 0.53 -0.51 -0.55 0.00 0.00 175.29 174.25 3a1j s LEU 112 N 1.34 4.14 -0.46 3.68 2.01 0.27 -1.76 118.68 127.90 3a1j s LEU 112 Ca -0.01 0.69 -0.18 0.00 0.01 0.00 0.00 54.13 54.63 3a1j s LEU 112 Cb -0.16 -2.73 0.04 0.00 0.01 0.00 0.00 46.19 43.35 3a1j s LEU 112 CO -0.08 -0.19 0.53 -1.00 1.01 0.00 0.00 176.35 176.61 3a1j s HIS 113 N 1.69 3.12 0.42 0.29 3.76 0.21 -1.58 115.29 123.19 3a1j s HIS 113 Ca 0.24 -0.43 0.07 0.00 -0.15 0.00 0.00 55.06 54.79 3a1j s HIS 113 Cb -0.15 -3.22 0.01 0.00 1.11 0.00 0.00 32.58 30.32 3a1j s HIS 113 CO 0.10 -0.86 0.58 0.00 -0.85 0.00 0.00 174.74 173.71 3a1j n LYS 115 N -1.88 -0.46 -2.45 0.00 5.02 0.07 -3.17 118.16 115.29 3a1j n LYS 115 Ca 0.07 -0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 3a1j n LYS 115 Cb 0.59 -2.09 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 3a1j n LYS 115 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3a1j n PHE 116 N -3.95 -1.23 -0.91 2.13 3.72 -1.26 -1.66 117.46 114.30 3a1j n PHE 116 Ca 0.09 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3a1j n PHE 116 Cb 0.53 -3.42 0.00 0.00 -0.94 0.00 0.00 39.48 35.66 3a1j n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1j n GLY 117 N -0.93 0.39 3.77 1.37 0.00 -1.19 -4.98 105.19 103.61 3a1j n GLY 117 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3a1j n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1j s VAL 118 N -2.00 3.23 -0.02 1.61 1.01 -0.66 -4.89 120.40 118.68 3a1j s VAL 118 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.08 3a1j s VAL 118 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3a1j s VAL 118 CO 0.00 0.15 -0.04 -0.60 0.00 0.00 0.00 175.10 174.61 3a1j s ARG 119 N -2.08 0.48 -0.14 2.72 3.52 -1.26 -0.44 118.95 121.75 3a1j s ARG 119 Ca 0.54 -0.12 0.01 0.00 -0.13 0.00 0.00 55.73 56.02 3a1j s ARG 119 Cb -0.31 -0.51 0.02 0.00 -1.56 0.00 0.00 34.95 32.59 3a1j s ARG 119 CO 0.40 0.03 -0.14 0.21 -0.81 0.00 0.00 175.30 174.98 3a1j s LYS 120 N 0.29 2.27 -0.15 5.12 2.20 -0.62 -5.00 119.74 123.85 3a1j s LYS 120 Ca -0.03 -0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 55.00 3a1j s LYS 120 Cb -0.07 -2.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.20 3a1j s LYS 120 CO -0.00 -0.18 -0.08 0.99 -0.36 0.00 0.00 175.35 175.72 3a1j s THR 121 N 1.34 3.46 -0.18 3.43 2.01 -1.26 -0.57 115.64 123.87 3a1j s THR 121 Ca 0.01 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 3a1j s THR 121 Cb -0.13 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 3a1j s THR 121 CO -0.08 0.50 -0.12 -1.00 -0.69 0.00 0.00 174.62 173.23 3a1j s HIS 122 N 0.50 2.86 -0.59 4.92 3.76 0.86 -5.00 115.29 122.59 3a1j s HIS 122 Ca -0.06 -1.10 -0.09 0.00 -0.15 0.00 0.00 55.06 53.66 3a1j s HIS 122 Cb -0.15 -1.98 0.15 0.00 1.11 0.00 0.00 32.58 31.71 3a1j s HIS 122 CO 0.03 -0.55 0.47 -0.80 -0.85 0.00 0.00 174.74 173.04 3a1j s ASN 123 N 1.14 5.88 0.17 1.40 0.01 -1.26 -0.88 114.94 121.39 3a1j s ASN 123 Ca 0.01 -2.27 -0.13 0.00 -0.71 0.00 0.00 52.86 49.76 3a1j s ASN 123 Cb -0.14 -2.04 -0.07 0.00 0.41 0.00 0.00 41.25 39.41 3a1j s ASN 123 CO -0.04 -0.61 0.55 -0.76 -1.51 0.00 0.00 177.10 174.73 3a1j s LEU 124 N 0.82 4.29 0.15 0.60 1.43 0.14 -4.80 118.68 121.31 3a1j s LEU 124 Ca 0.10 1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 54.17 3a1j s LEU 124 Cb -0.22 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 3a1j s LEU 124 CO -0.03 0.05 0.42 -0.55 0.23 0.00 0.00 176.35 176.47 3a1j s SER 125 N -1.90 6.55 0.23 2.29 0.15 -1.26 0.25 113.70 120.01 3a1j s SER 125 Ca 0.40 0.71 -0.02 0.00 0.70 0.00 0.00 55.95 57.74 3a1j s SER 125 Cb -0.14 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 3a1j s SER 125 CO 0.20 0.05 0.22 0.72 1.20 0.00 0.00 173.24 175.63 3a1j s PHE 126 N -1.64 1.10 -0.09 3.44 -0.71 -1.26 -4.60 117.98 114.22 3a1j s PHE 126 Ca 0.41 -1.30 0.01 0.00 -1.04 0.00 0.00 56.93 55.01 3a1j s PHE 126 Cb -0.12 -0.43 0.02 0.00 -1.21 0.00 0.00 43.02 41.27 3a1j s PHE 126 CO 0.22 -0.75 -0.12 -0.65 -1.34 0.00 0.00 175.22 172.58 3a1j s GLN 127 N -4.00 1.84 0.46 1.99 -0.21 -0.73 -4.96 119.66 114.05 3a1j s GLN 127 Ca 0.36 -0.42 -0.24 0.00 0.02 0.00 0.00 55.36 55.08 3a1j s GLN 127 Cb 0.05 -1.62 -0.07 0.00 1.00 0.00 0.00 33.01 32.36 3a1j s GLN 127 CO 0.14 -0.08 1.30 -0.51 -2.12 0.00 0.00 175.29 174.02 3a1j s ASP 128 N 1.05 5.95 0.07 5.90 1.01 -1.26 -1.42 116.67 127.96 3a1j s ASP 128 Ca -0.07 2.64 -0.02 0.00 0.71 0.00 0.00 52.55 55.81 3a1j s ASP 128 Cb -0.15 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.16 3a1j s ASP 128 CO -0.01 -1.10 0.13 0.00 0.21 0.00 0.00 175.17 174.40 3a1j s GLU 130 N -2.06 3.55 0.14 0.00 2.02 -1.26 -4.63 118.70 116.46 3a1j s GLU 130 Ca 0.04 -0.23 -0.35 0.00 0.02 0.00 0.00 54.97 54.45 3a1j s GLU 130 Cb -0.01 -2.89 -0.15 0.00 0.10 0.00 0.00 34.13 31.18 3a1j s GLU 130 CO 0.03 0.49 1.36 0.45 0.02 0.00 0.00 175.26 177.60 3a1j n SER 131 N -0.02 2.01 -4.68 -0.19 2.88 -1.26 -4.91 113.62 107.44 3a1j n SER 131 Ca -0.03 1.12 -0.42 0.00 -1.33 0.00 0.00 58.87 58.21 3a1j n SER 131 Cb 0.52 -1.27 -0.04 0.00 -0.75 0.00 0.00 64.21 62.67 3a1j n SER 131 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3a1j s LEU 132 N 0.57 4.22 0.19 2.46 2.96 -1.26 -5.03 118.68 122.78 3a1j s LEU 132 Ca 0.79 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 56.01 3a1j s LEU 132 Cb -0.83 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 42.48 3a1j s LEU 132 CO 0.46 -0.38 0.02 -1.10 -1.32 0.00 0.00 176.35 174.03 3a1j s GLN 133 N 1.94 1.15 0.09 1.98 -0.21 -1.26 -5.06 119.66 118.29 3a1j s GLN 133 Ca 0.42 -1.57 -0.07 0.00 0.02 0.00 0.00 55.36 54.16 3a1j s GLN 133 Cb -0.17 -0.25 -0.01 0.00 1.00 0.00 0.00 33.01 33.58 3a1j s GLN 133 CO 0.15 -0.16 0.14 0.00 -2.12 0.00 0.00 175.29 173.30 3a1j s ALA 134 N -3.69 0.02 -0.23 6.09 0.00 -1.26 -5.14 121.76 117.55 3a1j s ALA 134 Ca 0.26 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 3a1j s ALA 134 Cb 0.06 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3a1j s ALA 134 CO 0.06 -0.49 0.05 0.08 0.00 0.00 0.00 175.76 175.45 3a1j s VAL 135 N -3.89 4.23 -0.26 0.00 1.01 -1.26 -5.06 120.40 115.18 3a1j s VAL 135 Ca 0.07 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 3a1j s VAL 135 Cb 0.06 -2.95 0.14 0.00 0.00 0.00 0.00 36.38 33.63 3a1j s VAL 135 CO -0.09 0.38 1.14 0.72 0.00 0.00 0.00 175.10 177.25 3a1j s PHE 136 N 1.30 -0.32 -0.22 5.22 -0.71 -1.26 -5.01 117.98 116.99 3a1j s PHE 136 Ca 0.05 0.71 -0.03 0.00 -1.04 0.00 0.00 56.93 56.62 3a1j s PHE 136 Cb -0.15 0.42 0.07 0.00 -1.21 0.00 0.00 43.02 42.16 3a1j s PHE 136 CO 0.03 -0.19 0.05 0.34 -1.34 0.00 0.00 175.22 174.10 3a1j s ASP 137 N -0.26 3.13 0.23 1.98 -1.08 -1.26 -5.00 116.67 114.41 3a1j s ASP 137 Ca 0.03 -0.98 -0.03 0.00 -0.52 0.00 0.00 52.55 51.05 3a1j s ASP 137 Cb -0.04 -0.62 0.23 0.00 -1.46 0.00 0.00 42.92 41.04 3a1j s ASP 137 CO -0.07 -0.33 1.64 -0.65 0.52 0.00 0.00 175.17 176.29 3a1j h PRO 138 N 8.23 0.71 -0.02 4.34 0.11 -1.97 -3.04 132.00 140.36 3a1j h PRO 138 Ca -0.16 -0.28 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3a1j h PRO 138 Cb 1.10 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3a1j h PRO 138 CO 0.36 0.88 0.02 0.00 -0.21 0.00 0.00 178.00 179.05 3a1j h ALA 139 N 1.12 1.70 -0.63 -0.75 0.00 -2.01 -1.37 119.26 117.32 3a1j h ALA 139 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a1j h ALA 139 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3a1j h ALA 139 CO 0.06 -0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 3a1j n SER 140 N -4.06 3.68 -4.70 0.00 3.41 -1.15 -4.90 113.62 105.90 3a1j n SER 140 Ca -0.03 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.17 3a1j n SER 140 Cb 0.11 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3a1j n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a1j h PRO 142 N 6.95 0.00 -5.91 0.00 0.13 -1.88 -3.47 132.00 127.82 3a1j h PRO 142 Ca -0.36 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.16 3a1j h PRO 142 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 3a1j h PRO 142 CO 0.79 0.51 -0.64 -1.01 -0.23 0.00 0.00 178.00 177.42 3a1j s HIS 143 N -3.59 2.48 -0.22 1.56 3.76 -1.06 -4.80 115.29 113.42 3a1j s HIS 143 Ca -0.01 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 3a1j s HIS 143 Cb 0.12 -1.51 0.15 0.00 1.11 0.00 0.00 32.58 32.44 3a1j s HIS 143 CO 0.73 0.51 1.15 -0.51 -0.85 0.00 0.00 174.74 175.76 3a1j s LEU 145 N -3.68 -0.25 -0.06 0.89 1.43 -0.01 -0.95 118.68 116.05 3a1j s LEU 145 Ca 0.34 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3a1j s LEU 145 Cb 0.03 1.57 0.04 0.00 0.03 0.00 0.00 46.19 47.85 3a1j s LEU 145 CO 0.18 -0.20 0.13 -0.60 0.23 0.00 0.00 176.35 176.09 3a1j s ARG 146 N -0.84 0.07 0.04 1.70 3.52 -0.25 -0.50 118.95 122.68 3a1j s ARG 146 Ca 0.03 0.35 -0.24 0.00 -0.13 0.00 0.00 55.73 55.73 3a1j s ARG 146 Cb -0.01 -0.20 0.06 0.00 -1.56 0.00 0.00 34.95 33.23 3a1j s ARG 146 CO -0.04 -0.18 0.57 0.00 -0.81 0.00 0.00 175.30 174.85 3a1j s ALA 147 N 1.22 -1.47 0.35 6.12 0.00 -0.65 -0.38 121.76 126.96 3a1j s ALA 147 Ca -0.08 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 3a1j s ALA 147 Cb -0.12 0.37 -0.11 0.00 0.00 0.00 0.00 23.12 23.27 3a1j s ALA 147 CO -0.05 -0.51 1.49 -2.14 0.00 0.00 0.00 175.76 174.54 3a1j s PRO 148 N -2.35 4.14 0.41 0.00 0.02 -1.26 -0.37 135.00 135.59 3a1j s PRO 148 Ca -0.06 2.53 0.13 0.00 0.02 0.00 0.00 61.00 63.62 3a1j s PRO 148 Cb -0.01 -3.00 0.97 0.00 0.02 0.00 0.00 34.50 32.49 3a1j s PRO 148 CO -0.01 -0.52 1.94 0.00 -0.33 0.00 0.00 177.00 178.08 3a1j h ALA 149 N 3.53 1.99 -0.81 -1.55 0.00 -1.33 0.19 119.26 121.29 3a1j h ALA 149 Ca -0.50 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.46 3a1j h ALA 149 Cb 1.23 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3a1j h ALA 149 CO 0.68 -0.16 0.53 0.00 0.00 0.00 0.00 179.25 180.30 3a1j h ARG 150 N 0.50 0.92 -0.23 0.00 2.47 -1.88 0.94 114.38 117.10 3a1j h ARG 150 Ca 0.34 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.96 3a1j h ARG 150 Cb 0.66 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 3a1j h ARG 150 CO -0.12 0.61 -0.06 0.28 0.56 0.00 0.00 179.97 181.25 3a1j h VAL 151 N 0.95 1.28 -0.10 2.04 2.07 -1.32 -2.18 116.25 119.00 3a1j h VAL 151 Ca 0.33 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3a1j h VAL 151 Cb 0.12 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3a1j h VAL 151 CO -0.11 0.32 -0.24 -0.07 0.02 0.00 0.00 177.57 177.50 3a1j h LEU 152 N 0.18 0.17 -1.07 2.57 3.38 -1.22 -0.50 115.31 118.81 3a1j h LEU 152 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3a1j h LEU 152 Cb 0.51 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3a1j h LEU 152 CO 0.02 0.41 0.39 1.23 0.09 0.00 0.00 178.44 180.59 3a1j h GLY 153 N 0.89 1.12 1.75 0.83 0.00 -0.57 -0.57 103.07 106.52 3a1j h GLY 153 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 3a1j h GLY 153 CO 0.04 0.49 -0.65 0.83 0.00 0.00 0.00 176.54 177.24 3a1j h GLU 154 N 1.05 0.25 -0.29 4.80 5.08 -0.62 -2.42 114.58 122.43 3a1j h GLU 154 Ca 0.26 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3a1j h GLU 154 Cb 0.05 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3a1j h GLU 154 CO -0.04 0.82 -0.07 0.00 -1.00 0.00 0.00 179.01 178.72 3a1j h ALA 155 N 1.14 1.36 -0.01 3.43 0.00 0.18 -2.78 119.26 122.58 3a1j h ALA 155 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3a1j h ALA 155 Cb 1.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3a1j h ALA 155 CO 0.10 0.44 -0.40 0.28 0.00 0.00 0.00 179.25 179.67 3a1j n VAL 156 N -4.25 0.00 -0.35 0.00 0.31 -0.35 -4.43 118.33 109.25 3a1j n VAL 156 Ca 0.01 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 3a1j n VAL 156 Cb 0.27 0.48 0.14 0.00 -0.91 0.00 0.00 33.84 33.83 3a1j n VAL 156 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3a1j h LEU 157 N 0.89 1.09 -1.96 7.52 5.85 -1.13 -2.97 115.31 124.60 3a1j h LEU 157 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3a1j h LEU 157 Cb 0.53 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3a1j h LEU 157 CO 0.00 0.77 -0.09 -0.65 -0.34 0.00 0.00 178.44 178.13 3a1j h PRO 158 N 1.28 0.00 -7.35 5.25 0.11 -1.77 -3.44 132.00 126.07 3a1j h PRO 158 Ca 0.37 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.97 3a1j h PRO 158 Cb -0.09 0.00 0.10 0.00 0.11 0.00 0.00 31.00 31.12 3a1j h PRO 158 CO -0.09 0.09 0.35 -0.06 -0.21 0.00 0.00 178.00 178.08 3a1j s PHE 159 N -4.61 2.97 0.33 0.65 0.08 -1.12 -5.01 117.98 111.28 3a1j s PHE 159 Ca -0.04 1.36 -0.27 0.00 0.12 0.00 0.00 56.93 58.09 3a1j s PHE 159 Cb 0.15 -2.97 -0.09 0.00 -0.57 0.00 0.00 43.02 39.54 3a1j s PHE 159 CO 0.63 -1.46 1.11 0.45 -0.10 0.00 0.00 175.22 175.86 3a1j s SER 160 N -3.78 6.97 0.61 1.36 0.15 -1.26 -4.90 113.70 112.86 3a1j s SER 160 Ca 0.59 2.26 0.32 0.00 0.70 0.00 0.00 55.95 59.81 3a1j s SER 160 Cb -0.14 -2.62 1.78 0.00 -1.71 0.00 0.00 66.02 63.33 3a1j s SER 160 CO 0.55 -0.35 2.11 -0.65 1.20 0.00 0.00 173.24 176.10 3a1j h PRO 161 N 3.25 0.00 -0.18 5.44 0.11 -1.94 0.24 132.00 138.91 3a1j h PRO 161 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3a1j h PRO 161 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3a1j h PRO 161 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 3a1j n ALA 162 N -2.22 2.49 -2.00 -0.75 0.00 -1.26 -4.95 120.51 111.83 3a1j n ALA 162 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 3a1j n ALA 162 Cb 0.30 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 3a1j n ALA 162 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3a1j s LEU 163 N -1.70 4.36 -0.13 0.00 2.96 0.07 -4.94 118.68 119.31 3a1j s LEU 163 Ca 0.34 2.47 -0.12 0.00 -0.22 0.00 0.00 54.13 56.60 3a1j s LEU 163 Cb 0.20 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.22 3a1j s LEU 163 CO 0.30 -0.81 0.21 0.00 -1.32 0.00 0.00 176.35 174.73 3a1j h ALA 164 N 7.45 0.03 -3.22 5.97 0.00 -1.90 -3.36 119.26 124.22 3a1j h ALA 164 Ca -0.42 -0.33 -0.64 0.00 0.00 0.00 0.00 54.91 53.52 3a1j h ALA 164 Cb 1.20 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.99 3a1j h ALA 164 CO 0.91 0.14 -0.73 -1.21 0.00 0.00 0.00 179.25 178.37 3a1j s GLU 165 N -1.92 2.09 0.01 0.00 0.41 -1.26 -0.05 118.70 117.98 3a1j s GLU 165 Ca -0.10 -1.17 -0.06 0.00 -0.41 0.00 0.00 54.97 53.23 3a1j s GLU 165 Cb 0.00 -2.22 -0.00 0.00 -1.78 0.00 0.00 34.13 30.13 3a1j s GLU 165 CO 0.28 0.46 0.10 0.54 -0.49 0.00 0.00 175.26 176.16 3a1j s VAL 166 N -1.51 0.09 -0.19 2.63 0.11 -0.68 -2.31 120.40 118.54 3a1j s VAL 166 Ca 0.23 -0.73 -0.05 0.00 -2.93 0.00 0.00 61.98 58.50 3a1j s VAL 166 Cb -0.10 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3a1j s VAL 166 CO 0.15 -0.40 0.01 -0.89 -3.33 0.00 0.00 175.10 170.64 3a1j s THR 167 N -1.38 4.19 -0.17 5.04 2.01 0.13 -1.45 115.64 124.01 3a1j s THR 167 Ca -0.15 -0.24 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 3a1j s THR 167 Cb -0.08 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 3a1j s THR 167 CO 0.01 0.45 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.14 3a1j s LEU 168 N 0.69 3.26 0.02 4.42 2.96 0.14 -0.66 118.68 129.51 3a1j s LEU 168 Ca 0.00 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 3a1j s LEU 168 Cb -0.14 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.77 3a1j s LEU 168 CO 0.02 0.15 0.25 -0.83 -1.32 0.00 0.00 176.35 174.62 3a1j s GLY 169 N 0.50 -0.06 -0.16 7.98 0.00 0.08 -0.38 107.32 115.27 3a1j s GLY 169 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 3a1j s GLY 169 CO 0.03 -0.20 0.25 -0.42 0.00 0.00 0.00 173.10 172.75 3a1j s ILE 170 N -2.09 5.33 0.00 0.90 1.09 0.59 -0.16 121.20 126.86 3a1j s ILE 170 Ca -0.08 0.46 0.00 0.00 -1.10 0.00 0.00 60.65 59.92 3a1j s ILE 170 Cb -0.03 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.79 3a1j s ILE 170 CO -0.01 0.43 0.00 0.61 -0.10 0.00 0.00 174.94 175.87 3a1j n GLY 171 N 3.24 3.03 3.86 6.18 0.00 0.79 -0.46 105.19 121.83 3a1j n GLY 171 Ca -0.13 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 3a1j n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1j s ARG 172 N -1.57 3.76 0.00 1.61 0.52 -1.26 -3.40 118.95 118.60 3a1j s ARG 172 Ca 0.00 0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.98 3a1j s ARG 172 Cb 0.00 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.32 3a1j s ARG 172 CO 0.00 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.36 3a1j n GLY 173 N -2.09 0.45 3.23 -3.53 0.00 -1.26 -2.90 105.19 99.08 3a1j n GLY 173 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3a1j n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1j n ARG 174 N -2.20 -6.54 -3.25 1.61 1.74 -1.22 -4.68 116.66 102.13 3a1j n ARG 174 Ca 0.00 0.70 -0.39 0.00 -0.77 0.00 0.00 57.85 57.39 3a1j n ARG 174 Cb 0.09 -5.33 -0.06 0.00 -1.02 0.00 0.00 32.46 26.13 3a1j n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3a1j s ARG 175 N -6.07 4.26 -0.15 5.56 1.81 -1.14 -3.85 118.95 119.37 3a1j s ARG 175 Ca 0.48 0.71 -0.08 0.00 -1.72 0.00 0.00 55.73 55.13 3a1j s ARG 175 Cb -0.21 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 30.94 3a1j s ARG 175 CO 0.59 0.47 0.11 0.08 -0.68 0.00 0.00 175.30 175.87 3a1j s VAL 176 N -0.52 5.25 -0.07 3.52 1.01 -0.99 -0.15 120.40 128.45 3a1j s VAL 176 Ca 0.30 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3a1j s VAL 176 Cb -0.18 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3a1j s VAL 176 CO 0.17 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 175.01 3a1j s ILE 177 N -0.36 2.79 -0.13 2.22 -1.09 0.78 -0.63 121.20 124.77 3a1j s ILE 177 Ca 0.11 -0.80 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 3a1j s ILE 177 Cb -0.12 -2.10 0.01 0.00 -1.58 0.00 0.00 42.46 38.68 3a1j s ILE 177 CO 0.01 0.57 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.89 3a1j s LEU 178 N -0.27 1.91 -0.01 2.97 2.96 -1.25 -0.74 118.68 124.25 3a1j s LEU 178 Ca 0.01 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3a1j s LEU 178 Cb -0.13 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.29 3a1j s LEU 178 CO 0.03 0.04 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.43 3a1j s ARG 179 N 0.95 0.61 0.39 1.98 3.52 0.17 -4.22 118.95 122.36 3a1j s ARG 179 Ca -0.06 -0.23 -0.26 0.00 -0.13 0.00 0.00 55.73 55.05 3a1j s ARG 179 Cb -0.15 -0.59 -0.09 0.00 -1.56 0.00 0.00 34.95 32.56 3a1j s ARG 179 CO -0.03 0.12 1.24 -1.54 -0.81 0.00 0.00 175.30 174.29 3a1j s SER 180 N -0.03 6.45 0.05 -2.12 1.04 -0.22 0.19 113.70 119.06 3a1j s SER 180 Ca 0.01 2.52 0.09 0.00 0.48 0.00 0.00 55.95 59.04 3a1j s SER 180 Cb -0.04 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 3a1j s SER 180 CO -0.00 -0.74 -0.24 -0.47 0.98 0.00 0.00 173.24 172.76 3a1j s TYR 181 N -1.31 2.14 0.26 5.02 5.04 -0.98 -4.74 117.35 122.79 3a1j s TYR 181 Ca 0.56 -0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 54.72 3a1j s TYR 181 Cb -0.35 -1.27 -0.01 0.00 0.35 0.00 0.00 41.96 40.67 3a1j s TYR 181 CO 0.45 0.13 0.38 -1.01 -1.34 0.00 0.00 175.55 174.15 3a1j s HIS 182 N -0.82 0.75 0.00 4.97 3.76 -1.26 -4.41 115.29 118.28 3a1j s HIS 182 Ca 0.10 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 3a1j s HIS 182 Cb -0.10 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.51 3a1j s HIS 182 CO 0.02 -0.93 0.00 0.39 -0.85 0.00 0.00 174.74 173.37 3a1j n GLU 183 N -0.40 3.37 -1.04 1.40 1.02 -1.26 -5.17 120.64 118.56 3a1j n GLU 183 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3a1j n GLU 183 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 3a1j n GLU 183 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3a1j n GLU 184 N 0.00 0.00 -0.24 3.49 2.13 -1.26 -5.04 120.64 119.73 3a1j n GLU 184 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3a1j n GLU 184 Cb 0.00 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.28 3a1j n GLU 184 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a1j n ALA 186 N -0.27 -2.75 -0.36 4.31 0.00 -1.26 -4.78 120.51 115.40 3a1j n ALA 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3a1j n ALA 186 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3a1j n ALA 186 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3a1j n ASP 187 N -0.22 4.14 -4.99 0.00 -0.08 -1.26 -4.84 116.55 109.29 3a1j n ASP 187 Ca 0.00 -2.09 -0.19 0.00 -1.51 0.00 0.00 54.79 51.01 3a1j n ASP 187 Cb 0.00 -0.87 0.02 0.00 2.34 0.00 0.00 41.12 42.61 3a1j n ASP 187 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3a1j s SER 188 N 1.98 5.49 0.77 1.67 1.04 -1.26 -5.12 113.70 118.27 3a1j s SER 188 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3a1j s SER 188 Cb 0.00 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.43 3a1j s SER 188 CO 0.00 -0.92 0.00 1.07 0.98 0.00 0.00 173.24 174.37 3a1j n THR 189 N -2.04 0.00 -3.18 2.02 5.66 -1.26 -4.53 114.28 110.94 3a1j n THR 189 Ca 0.08 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.92 3a1j n THR 189 Cb 0.59 -1.64 0.05 0.00 -1.55 0.00 0.00 70.33 67.78 3a1j n THR 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a1j n ALA 190 N -3.00 -0.86 -1.93 1.79 0.00 -1.26 -4.96 120.51 110.30 3a1j n ALA 190 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 3a1j n ALA 190 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 19.45 15.63 3a1j n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a1j s LYS 191 N -5.82 4.39 0.00 0.00 1.02 -1.26 -5.18 119.74 112.89 3a1j s LYS 191 Ca 0.38 2.09 0.00 0.00 0.02 0.00 0.00 55.97 58.45 3a1j s LYS 191 Cb -0.17 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 3a1j s LYS 191 CO 0.46 -0.21 0.00 0.00 -0.92 0.00 0.00 175.35 174.68 3a1j n ALA 192 N 2.11 0.00 -3.50 5.17 0.00 -1.26 -5.26 120.51 117.77 3a1j n ALA 192 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 3a1j n ALA 192 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 3a1j n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a1j s VAL 194 N 0.53 0.00 0.00 0.00 -7.23 -1.26 -5.15 120.40 107.30 3a1j s VAL 194 Ca 0.00 -0.02 0.08 0.00 -1.81 0.00 0.00 61.98 60.24 3a1j s VAL 194 Cb 0.00 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 3a1j s VAL 194 CO 0.00 -0.01 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.64 3a1j s THR 195 N 0.16 1.98 0.00 5.32 2.01 -1.26 -4.99 115.64 118.86 3a1j s THR 195 Ca -0.01 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 60.84 3a1j s THR 195 Cb -0.04 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3a1j s THR 195 CO 0.02 0.48 0.00 1.21 -0.69 0.00 0.00 174.62 175.64 3a1j n GLU 196 N 2.25 0.34 -3.20 4.92 2.13 -1.26 -1.06 120.64 124.76 3a1j n GLU 196 Ca -0.16 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.70 3a1j n GLU 196 Cb 0.52 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.20 3a1j n GLU 196 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a1j s LEU 199 N 2.67 4.36 0.86 0.00 1.43 0.19 -4.95 118.68 123.24 3a1j s LEU 199 Ca -0.02 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 3a1j s LEU 199 Cb -0.07 -2.83 0.11 0.00 0.03 0.00 0.00 46.19 43.43 3a1j s LEU 199 CO -0.13 0.20 1.09 -0.83 0.23 0.00 0.00 176.35 176.92 3a1j s GLY 200 N -2.20 1.64 0.26 -3.19 0.00 -1.26 -2.35 107.32 100.22 3a1j s GLY 200 Ca 0.32 0.12 0.11 0.00 0.00 0.00 0.00 44.72 45.26 3a1j s GLY 200 CO 0.23 0.55 1.57 -2.09 0.00 0.00 0.00 173.10 173.37 3a1j h GLU 201 N -1.45 0.00 0.00 2.90 4.81 -1.84 -2.99 114.58 116.01 3a1j h GLU 201 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3a1j h GLU 201 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3a1j h GLU 201 CO 0.52 0.65 0.00 -0.85 -0.73 0.00 0.00 179.01 178.60 3a1j n GLU 202 N -3.70 0.25 0.02 1.92 -0.00 -1.26 -2.38 120.64 115.49 3a1j n GLU 202 Ca -0.01 0.12 0.13 0.00 -0.00 0.00 0.00 57.16 57.40 3a1j n GLU 202 Cb 0.65 -1.50 0.45 0.00 -0.00 0.00 0.00 31.44 31.04 3a1j n GLU 202 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3a1j n ASP 203 N -1.28 0.32 -4.52 -1.84 8.00 -1.13 -4.80 116.55 111.30 3a1j n ASP 203 Ca 0.08 0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.52 3a1j n ASP 203 Cb 0.13 -0.28 -0.12 0.00 -0.02 0.00 0.00 41.12 40.83 3a1j n ASP 203 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a1j s PHE 204 N -3.03 3.04 0.30 1.24 0.08 -1.00 -4.70 117.98 113.91 3a1j s PHE 204 Ca 0.12 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.02 3a1j s PHE 204 Cb 0.17 -1.93 0.48 0.00 -0.57 0.00 0.00 43.02 41.17 3a1j s PHE 204 CO 0.60 0.03 1.70 1.96 -0.10 0.00 0.00 175.22 179.42 3a1j h GLN 205 N 6.50 0.15 -2.98 0.44 4.20 -1.02 -3.44 115.11 118.95 3a1j h GLN 205 Ca -0.34 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.15 3a1j h GLN 205 Cb 1.19 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.73 3a1j h GLN 205 CO 0.62 0.58 -0.34 -0.65 -0.67 0.00 0.00 178.83 178.36 3a1j s GLN 206 N -4.05 0.40 -0.21 1.46 -0.21 -0.79 -4.97 119.66 111.30 3a1j s GLN 206 Ca -0.04 0.36 -0.04 0.00 0.02 0.00 0.00 55.36 55.67 3a1j s GLN 206 Cb 0.13 0.19 0.11 0.00 1.00 0.00 0.00 33.01 34.44 3a1j s GLN 206 CO 0.76 -0.06 0.33 -1.17 -2.12 0.00 0.00 175.29 173.04 3a1j s LEU 207 N -0.01 -0.47 -0.52 2.90 0.20 -1.26 -1.09 118.68 118.43 3a1j s LEU 207 Ca -0.02 0.32 0.04 0.00 0.69 0.00 0.00 54.13 55.16 3a1j s LEU 207 Cb -0.03 0.93 0.17 0.00 -0.43 0.00 0.00 46.19 46.83 3a1j s LEU 207 CO 0.01 -0.28 0.39 -1.58 -0.29 0.00 0.00 176.35 174.59 3a1j s GLN 208 N 2.49 1.46 0.02 1.98 0.74 -1.26 -5.03 119.66 120.06 3a1j s GLN 208 Ca 0.07 -2.54 -0.05 0.00 0.05 0.00 0.00 55.36 52.90 3a1j s GLN 208 Cb -0.14 -2.15 -0.01 0.00 1.10 0.00 0.00 33.01 31.81 3a1j s GLN 208 CO -0.13 -1.34 0.09 0.00 -0.55 0.00 0.00 175.29 173.35 3a1j s ALA 209 N -0.46 -0.15 0.13 1.58 0.00 -1.26 -4.13 121.76 117.47 3a1j s ALA 209 Ca 0.29 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.65 3a1j s ALA 209 Cb -0.00 0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 3a1j s ALA 209 CO -0.18 -0.23 0.78 -0.65 0.00 0.00 0.00 175.76 175.49 3a1j s GLN 210 N -1.73 4.56 0.87 0.00 -0.21 -1.26 -5.02 119.66 116.86 3a1j s GLN 210 Ca -0.12 1.15 -0.13 0.00 0.02 0.00 0.00 55.36 56.28 3a1j s GLN 210 Cb -0.06 -3.29 0.04 0.00 1.00 0.00 0.00 33.01 30.70 3a1j s GLN 210 CO -0.01 0.48 0.68 0.39 -2.12 0.00 0.00 175.29 174.71 3a1j n GLU 211 N 1.96 -0.09 0.00 2.91 1.02 -1.26 -1.60 120.64 123.58 3a1j n GLU 211 Ca -0.04 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3a1j n GLU 211 Cb 0.49 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3a1j n GLU 211 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a1j n GLY 212 N 1.19 2.83 3.76 0.62 0.00 0.39 -4.96 105.19 109.03 3a1j n GLY 212 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3a1j n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1j s VAL 213 N -1.66 3.19 -0.21 1.61 1.01 -0.63 -4.83 120.40 118.88 3a1j s VAL 213 Ca 0.00 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.90 3a1j s VAL 213 Cb 0.00 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.69 3a1j s VAL 213 CO 0.00 0.28 0.71 0.00 0.00 0.00 0.00 175.10 176.09 3a1j s ALA 214 N -1.08 -1.78 0.06 5.51 0.00 -1.26 -0.30 121.76 122.92 3a1j s ALA 214 Ca 0.47 1.83 0.01 0.00 0.00 0.00 0.00 51.96 54.27 3a1j s ALA 214 Cb -0.35 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3a1j s ALA 214 CO 0.45 -0.35 -0.06 0.96 0.00 0.00 0.00 175.76 176.76 3a1j s ILE 215 N -0.06 0.53 -0.06 0.00 -4.36 0.49 -4.41 121.20 113.32 3a1j s ILE 215 Ca -0.03 -1.51 0.04 0.00 -0.26 0.00 0.00 60.65 58.89 3a1j s ILE 215 Cb -0.04 -1.14 -0.00 0.00 1.25 0.00 0.00 42.46 42.54 3a1j s ILE 215 CO 0.04 -0.67 -0.18 -0.89 0.24 0.00 0.00 174.94 173.47 3a1j s THR 216 N -2.63 1.54 0.31 8.37 2.01 -1.26 0.26 115.64 124.23 3a1j s THR 216 Ca 0.01 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 3a1j s THR 216 Cb -0.01 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3a1j s THR 216 CO -0.03 0.44 0.41 0.72 -0.69 0.00 0.00 174.62 175.47 3a1j s PHE 217 N 0.15 1.04 -0.29 4.92 -0.71 -0.53 -2.40 117.98 120.15 3a1j s PHE 217 Ca -0.07 -1.26 -0.29 0.00 -1.04 0.00 0.00 56.93 54.27 3a1j s PHE 217 Cb -0.13 -0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.51 3a1j s PHE 217 CO 0.03 -1.02 1.29 0.00 -1.34 0.00 0.00 175.22 174.18 3a1j h LEU 219 N 10.78 0.76 -1.65 0.00 5.85 -0.72 -2.29 115.31 128.05 3a1j h LEU 219 Ca -0.26 -0.62 0.15 0.00 0.84 0.00 0.00 57.88 57.99 3a1j h LEU 219 Cb 1.10 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3a1j h LEU 219 CO 1.03 1.25 0.48 0.11 -0.34 0.00 0.00 178.44 180.98 3a1j h LYS 220 N 0.32 0.34 0.14 1.25 1.57 -1.71 0.53 116.57 119.01 3a1j h LYS 220 Ca -0.03 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 3a1j h LYS 220 Cb 1.22 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3a1j h LYS 220 CO 0.12 0.23 -1.43 0.93 -0.57 0.00 0.00 179.45 178.72 3a1j h GLU 221 N 0.35 0.30 -0.41 3.15 5.08 -1.81 -3.28 114.58 117.96 3a1j h GLU 221 Ca 0.35 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3a1j h GLU 221 Cb 0.87 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3a1j h GLU 221 CO -0.10 1.20 0.21 0.35 -1.00 0.00 0.00 179.01 179.67 3a1j h PHE 222 N 0.08 0.57 -0.41 4.33 3.57 -0.65 -2.09 116.94 122.34 3a1j h PHE 222 Ca -0.21 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.39 3a1j h PHE 222 Cb 2.02 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 3a1j h PHE 222 CO 0.07 0.45 0.44 0.00 -2.23 0.00 0.00 178.31 177.04 3a1j h ARG 223 N 0.52 0.00 -0.71 1.11 3.08 -1.03 0.87 114.38 118.22 3a1j h ARG 223 Ca 0.14 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 3a1j h ARG 223 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3a1j h ARG 223 CO -0.02 0.00 0.22 0.78 -1.07 0.00 0.00 179.97 179.87 3a1j h GLY 224 N 0.00 1.19 1.55 0.04 0.00 -1.43 -1.07 103.07 103.35 3a1j h GLY 224 Ca 0.20 -0.71 -0.27 0.00 0.00 0.00 0.00 47.33 46.55 3a1j h GLY 224 CO -0.00 0.66 -1.18 -2.00 0.00 0.00 0.00 176.54 174.02 3a1j h LEU 225 N 1.05 0.52 0.09 3.11 6.46 -0.95 -3.24 115.31 122.34 3a1j h LEU 225 Ca 0.23 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 3a1j h LEU 225 Cb 0.31 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3a1j h LEU 225 CO -0.01 1.36 -0.07 -0.07 -0.62 0.00 0.00 178.44 179.03 3a1j h LEU 226 N 0.14 -0.19 -0.46 2.25 3.38 -1.18 -0.20 115.31 119.05 3a1j h LEU 226 Ca -0.13 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.94 3a1j h LEU 226 Cb 1.87 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.61 3a1j h LEU 226 CO 0.20 -0.12 -0.02 0.77 0.09 0.00 0.00 178.44 179.36 3a1j h SER 227 N -0.17 -0.23 -0.38 -0.43 4.64 -1.29 0.56 113.55 116.25 3a1j h SER 227 Ca 0.00 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3a1j h SER 227 Cb 0.16 0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3a1j h SER 227 CO -0.01 -0.08 0.17 0.15 -0.87 0.00 0.00 176.83 176.19 3a1j h PHE 228 N 0.09 0.55 -0.50 4.77 3.57 -1.52 -3.01 116.94 120.89 3a1j h PHE 228 Ca 0.23 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 3a1j h PHE 228 Cb 0.34 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3a1j h PHE 228 CO -0.31 0.47 -0.14 0.00 -2.23 0.00 0.00 178.31 176.11 3a1j h ALA 229 N 1.02 0.69 0.74 2.41 0.00 -0.08 -2.83 119.26 121.21 3a1j h ALA 229 Ca 0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3a1j h ALA 229 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a1j h ALA 229 CO -0.01 0.62 -0.41 0.93 0.00 0.00 0.00 179.25 180.38 3a1j h GLU 230 N 0.84 -1.02 -0.54 0.00 5.08 0.10 -0.89 114.58 118.15 3a1j h GLU 230 Ca 0.12 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 3a1j h GLU 230 Cb 0.70 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 30.11 3a1j h GLU 230 CO 0.05 -0.68 0.08 0.66 -1.00 0.00 0.00 179.01 178.13 3a1j h SER 231 N -1.06 -0.05 0.24 1.42 4.64 -1.58 0.43 113.55 117.58 3a1j h SER 231 Ca -0.10 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3a1j h SER 231 Cb 0.84 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3a1j h SER 231 CO 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 3a1j n ALA 232 N -2.59 2.02 -3.54 5.18 0.00 -1.07 -4.90 120.51 115.60 3a1j n ALA 232 Ca 0.07 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 3a1j n ALA 232 Cb 0.28 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3a1j n ALA 232 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a1j n ASN 233 N -1.21 -5.87 -4.48 0.00 5.15 0.15 -5.00 115.26 104.00 3a1j n ASN 233 Ca 0.10 -0.68 -0.23 0.00 -0.60 0.00 0.00 54.58 53.16 3a1j n ASN 233 Cb 0.12 -3.04 -0.10 0.00 -0.53 0.00 0.00 39.78 36.22 3a1j n ASN 233 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3a1j s LEU 234 N -4.83 2.61 0.18 1.20 1.43 -0.80 -5.02 118.68 113.44 3a1j s LEU 234 Ca 0.05 -1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 51.85 3a1j s LEU 234 Cb -0.02 -0.84 -0.07 0.00 0.03 0.00 0.00 46.19 45.29 3a1j s LEU 234 CO 0.85 -0.24 0.55 0.20 0.23 0.00 0.00 176.35 177.93 3a1j s ASN 235 N -3.52 6.75 -0.02 2.29 0.01 -1.26 -0.91 114.94 118.28 3a1j s ASN 235 Ca 0.31 1.02 0.08 0.00 -0.71 0.00 0.00 52.86 53.55 3a1j s ASN 235 Cb 0.02 -2.26 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 3a1j s ASN 235 CO 0.14 0.04 -0.26 -0.22 -1.51 0.00 0.00 177.10 175.29 3a1j s LEU 236 N -2.27 2.05 0.09 0.60 0.20 0.50 -4.46 118.68 115.39 3a1j s LEU 236 Ca 0.41 -0.47 0.09 0.00 0.69 0.00 0.00 54.13 54.85 3a1j s LEU 236 Cb -0.14 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.25 3a1j s LEU 236 CO 0.20 0.32 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.94 3a1j s SER 237 N -0.59 3.76 -0.10 3.68 0.01 -0.20 -1.63 113.70 118.63 3a1j s SER 237 Ca 0.10 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.82 3a1j s SER 237 Cb -0.10 -0.52 0.02 0.00 0.21 0.00 0.00 66.02 65.63 3a1j s SER 237 CO -0.01 0.21 -0.08 -0.63 0.41 0.00 0.00 173.24 173.14 3a1j s ILE 238 N -1.04 1.00 -0.17 1.44 1.01 0.34 -0.77 121.20 123.01 3a1j s ILE 238 Ca 0.16 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3a1j s ILE 238 Cb -0.10 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.38 3a1j s ILE 238 CO 0.08 0.35 -0.19 -1.00 0.00 0.00 0.00 174.94 174.18 3a1j s HIS 239 N 1.43 2.77 0.22 3.97 3.76 0.85 -0.83 115.29 127.46 3a1j s HIS 239 Ca -0.00 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.38 3a1j s HIS 239 Cb -0.13 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 3a1j s HIS 239 CO -0.05 -0.75 0.14 -0.59 -0.85 0.00 0.00 174.74 172.64 3a1j s PHE 240 N 1.20 1.28 0.00 1.40 -0.71 -0.13 -0.15 117.98 120.87 3a1j s PHE 240 Ca 0.03 -1.37 0.00 0.00 -1.04 0.00 0.00 56.93 54.54 3a1j s PHE 240 Cb -0.14 -0.63 0.00 0.00 -1.21 0.00 0.00 43.02 41.04 3a1j s PHE 240 CO -0.10 -0.61 0.00 -3.47 -1.34 0.00 0.00 175.22 169.70 3a1j n ASP 241 N -0.42 0.00 -4.43 1.98 -0.08 -1.26 -2.56 116.55 109.78 3a1j n ASP 241 Ca 0.02 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.09 3a1j n ASP 241 Cb 0.66 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.01 3a1j n ASP 241 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3a1j s ALA 242 N -2.00 2.33 0.36 -1.67 0.00 -1.26 -4.87 121.76 114.65 3a1j s ALA 242 Ca 0.00 -1.93 -0.26 0.00 0.00 0.00 0.00 51.96 49.77 3a1j s ALA 242 Cb 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 23.12 23.30 3a1j s ALA 242 CO 0.00 -0.13 0.95 -2.30 0.00 0.00 0.00 175.76 174.28 3a1j n PRO 243 N -0.60 1.25 0.00 0.00 -0.02 -1.26 -1.44 135.00 132.94 3a1j n PRO 243 Ca -0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3a1j n PRO 243 Cb 0.64 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3a1j n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1j n GLY 244 N 1.27 3.02 3.91 -1.23 0.00 -0.71 -4.78 105.19 106.66 3a1j n GLY 244 Ca 0.10 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3a1j n GLY 244 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1j s ARG 245 N 0.00 3.62 0.75 1.61 1.81 -0.52 -4.66 118.95 121.56 3a1j s ARG 245 Ca 0.00 0.00 -0.11 0.00 -1.72 0.00 0.00 55.73 53.90 3a1j s ARG 245 Cb 0.00 -2.63 0.05 0.00 -0.45 0.00 0.00 34.95 31.91 3a1j s ARG 245 CO 0.00 0.19 1.09 -1.25 -0.68 0.00 0.00 175.30 174.65 3a1j s PRO 246 N -3.64 2.36 -0.11 3.54 0.04 -1.26 -3.86 135.00 132.07 3a1j s PRO 246 Ca 0.44 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 3a1j s PRO 246 Cb -0.11 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 3a1j s PRO 246 CO 0.31 -1.57 -0.06 0.00 0.04 0.00 0.00 177.00 175.72 3a1j s ALA 247 N -2.81 2.96 -0.26 8.56 0.00 0.33 -4.25 121.76 126.29 3a1j s ALA 247 Ca 0.62 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 3a1j s ALA 247 Cb -0.18 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.58 3a1j s ALA 247 CO 0.53 0.39 -0.01 0.42 0.00 0.00 0.00 175.76 177.09 3a1j s ILE 248 N -0.19 3.36 -0.21 0.00 1.01 0.79 -0.37 121.20 125.59 3a1j s ILE 248 Ca 0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3a1j s ILE 248 Cb -0.13 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3a1j s ILE 248 CO 0.03 0.22 0.07 -0.36 0.00 0.00 0.00 174.94 174.89 3a1j s PHE 249 N 1.42 3.17 0.06 3.97 0.08 0.48 -0.11 117.98 127.07 3a1j s PHE 249 Ca 0.02 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.01 3a1j s PHE 249 Cb -0.16 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 3a1j s PHE 249 CO -0.02 -0.06 -0.14 0.99 -0.10 0.00 0.00 175.22 175.89 3a1j s THR 250 N 0.90 1.08 0.01 0.64 2.01 0.05 -0.79 115.64 119.53 3a1j s THR 250 Ca 0.04 -1.22 -0.02 0.00 0.31 0.00 0.00 61.69 60.80 3a1j s THR 250 Cb -0.14 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 3a1j s THR 250 CO 0.03 -0.18 0.03 0.27 -0.69 0.00 0.00 174.62 174.08 3a1j s ILE 251 N -1.17 0.08 -0.16 1.82 -4.36 -0.87 -1.03 121.20 115.51 3a1j s ILE 251 Ca -0.02 -0.68 -0.04 0.00 -0.26 0.00 0.00 60.65 59.65 3a1j s ILE 251 Cb -0.09 -0.28 0.08 0.00 1.25 0.00 0.00 42.46 43.41 3a1j s ILE 251 CO 0.02 -0.38 0.24 -0.75 0.24 0.00 0.00 174.94 174.31 3a1j s LYS 252 N -1.17 0.16 0.45 0.37 2.20 -1.26 -1.90 119.74 118.58 3a1j s LYS 252 Ca -0.13 0.49 0.06 0.00 -0.36 0.00 0.00 55.97 56.04 3a1j s LYS 252 Cb -0.08 -0.57 0.06 0.00 -1.51 0.00 0.00 37.83 35.74 3a1j s LYS 252 CO -0.00 -0.46 0.51 -3.47 -0.36 0.00 0.00 175.35 171.57 3a1j n ASP 253 N 5.34 1.95 0.22 1.43 -0.08 0.07 -4.92 116.55 120.56 3a1j n ASP 253 Ca -0.05 -2.32 0.12 0.00 -1.51 0.00 0.00 54.79 51.03 3a1j n ASP 253 Cb 0.50 -0.21 0.24 0.00 2.34 0.00 0.00 41.12 43.99 3a1j n ASP 253 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3a1j h SER 254 N 0.25 0.00 -0.00 1.67 0.87 -2.02 -3.31 113.55 111.01 3a1j h SER 254 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3a1j h SER 254 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3a1j h SER 254 CO 0.35 0.03 -0.02 0.18 -0.53 0.00 0.00 176.83 176.84 3a1j n LEU 255 N -3.11 1.17 -3.61 2.23 4.77 -1.26 -4.97 117.00 112.23 3a1j n LEU 255 Ca 0.03 -0.94 -0.13 0.00 -0.03 0.00 0.00 56.01 54.94 3a1j n LEU 255 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3a1j n LEU 255 CO 0.33 0.26 0.23 -1.48 -1.33 0.00 0.00 177.39 175.40 3a1j s LEU 256 N -0.54 0.11 0.08 2.23 0.05 -1.25 -0.15 118.68 119.20 3a1j s LEU 256 Ca 0.04 0.09 0.07 0.00 0.05 0.00 0.00 54.13 54.38 3a1j s LEU 256 Cb 0.03 1.99 -0.03 0.00 -2.05 0.00 0.00 46.19 46.13 3a1j s LEU 256 CO 0.06 -0.71 -0.18 -1.81 -0.55 0.00 0.00 176.35 173.16 3a1j s ASP 257 N -2.03 2.18 -0.07 1.48 1.01 -0.54 -0.75 116.67 117.95 3a1j s ASP 257 Ca -0.05 -0.61 -0.06 0.00 0.71 0.00 0.00 52.55 52.54 3a1j s ASP 257 Cb -0.01 -0.12 0.02 0.00 1.01 0.00 0.00 42.92 43.83 3a1j s ASP 257 CO -0.03 0.04 0.18 -0.83 0.21 0.00 0.00 175.17 174.75 3a1j s GLY 258 N -1.64 -0.12 -0.02 0.21 0.00 -0.80 -0.65 107.32 104.30 3a1j s GLY 258 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.35 3a1j s GLY 258 CO 0.03 0.61 0.00 0.30 0.00 0.00 0.00 173.10 174.04 3a1j s HIS 259 N 0.37 0.22 -0.20 1.90 3.76 0.48 -2.05 115.29 119.76 3a1j s HIS 259 Ca -0.02 0.03 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 3a1j s HIS 259 Cb -0.04 -0.31 0.04 0.00 1.11 0.00 0.00 32.58 33.38 3a1j s HIS 259 CO -0.02 -0.10 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.58 3a1j s PHE 260 N 0.84 2.68 -0.37 1.40 0.40 0.03 -0.07 117.98 122.88 3a1j s PHE 260 Ca -0.08 -1.72 -0.08 0.00 -0.60 0.00 0.00 56.93 54.45 3a1j s PHE 260 Cb -0.11 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 41.68 3a1j s PHE 260 CO -0.02 -0.78 0.18 0.08 0.70 0.00 0.00 175.22 175.38 3a1j s VAL 261 N 1.31 4.08 0.05 -0.44 1.01 0.29 -0.38 120.40 126.33 3a1j s VAL 261 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 60.84 3a1j s VAL 261 Cb -0.15 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3a1j s VAL 261 CO -0.09 -0.31 -0.04 -0.76 0.00 0.00 0.00 175.10 173.90 3a1j s LEU 262 N 1.44 3.32 0.65 3.92 1.43 0.51 -0.91 118.68 129.03 3a1j s LEU 262 Ca 0.01 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3a1j s LEU 262 Cb -0.21 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3a1j s LEU 262 CO 0.03 0.22 1.04 0.00 0.23 0.00 0.00 176.35 177.87 3a1j s ALA 263 N -1.17 3.04 0.02 4.21 0.00 -0.92 0.12 121.76 127.06 3a1j s ALA 263 Ca 0.22 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3a1j s ALA 263 Cb -0.11 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3a1j s ALA 263 CO 0.13 -0.89 -0.13 0.95 0.00 0.00 0.00 175.76 175.82 3a1j s THR 264 N -3.23 1.04 0.71 0.00 -4.23 -1.25 -4.49 115.64 104.18 3a1j s THR 264 Ca 0.56 -0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 60.09 3a1j s THR 264 Cb -0.11 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.84 3a1j s THR 264 CO 0.52 0.09 1.25 0.18 -0.54 0.00 0.00 174.62 176.12 3a1j n LEU 265 N 2.22 5.40 -0.29 4.79 4.77 -1.01 -2.89 117.00 129.99 3a1j n LEU 265 Ca -0.17 0.74 0.15 0.00 -0.03 0.00 0.00 56.01 56.70 3a1j n LEU 265 Cb 0.55 -1.54 0.69 0.00 -2.33 0.00 0.00 43.42 40.80 3a1j n LEU 265 CO 0.23 -1.27 0.96 -1.54 -1.33 0.00 0.00 177.39 174.44