#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlj s PRO 2 N 0.00 3.94 -0.40 0.00 0.02 -1.26 -4.98 135.00 132.32 1nlj s PRO 2 Ca 0.00 0.94 -0.06 0.00 0.02 0.00 0.00 61.00 61.90 1nlj s PRO 2 Cb 0.00 -2.14 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 1nlj s PRO 2 CO 0.00 -0.27 3.23 -0.25 -0.33 0.00 0.00 177.00 179.37 1nlj n ASP 3 N -1.60 6.17 -3.84 2.53 8.00 -1.26 -4.83 116.55 121.72 1nlj n ASP 3 Ca 0.06 -2.75 -0.09 0.00 0.71 0.00 0.00 54.79 52.73 1nlj n ASP 3 Cb 0.54 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.23 1nlj n ASP 3 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1nlj s SER 4 N 1.43 -0.21 0.02 -2.24 1.04 -1.26 -4.67 113.70 107.80 1nlj s SER 4 Ca 0.64 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 56.32 1nlj s SER 4 Cb 0.31 0.61 0.01 0.00 0.10 0.00 0.00 66.02 67.06 1nlj s SER 4 CO -0.08 -1.14 0.25 0.54 0.98 0.00 0.00 173.24 173.80 1nlj s VAL 5 N -3.92 0.08 -0.30 5.02 0.11 0.12 -4.96 120.40 116.55 1nlj s VAL 5 Ca 0.13 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1nlj s VAL 5 Cb -0.02 -0.74 0.16 0.00 -1.53 0.00 0.00 36.38 34.26 1nlj s VAL 5 CO 0.03 -0.36 0.42 -0.62 -3.33 0.00 0.00 175.10 171.23 1nlj s ASP 6 N -1.70 0.32 0.00 3.54 -1.08 -1.26 -1.34 116.67 115.16 1nlj s ASP 6 Ca -0.10 -0.43 0.13 0.00 -0.52 0.00 0.00 52.55 51.63 1nlj s ASP 6 Cb -0.04 1.13 0.73 0.00 -1.46 0.00 0.00 42.92 43.28 1nlj s ASP 6 CO 0.00 -0.34 1.29 -1.22 0.52 0.00 0.00 175.17 175.42 1nlj n TYR 7 N 5.29 0.00 0.14 -5.34 4.01 -0.66 -1.72 117.16 118.87 1nlj n TYR 7 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1nlj n TYR 7 Cb 0.49 -0.15 0.24 0.00 -0.31 0.00 0.00 39.34 39.61 1nlj n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nlj h ARG 8 N 0.00 0.08 0.00 -0.72 3.08 -1.94 -1.52 114.38 113.36 1nlj h ARG 8 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1nlj h ARG 8 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nlj h ARG 8 CO 0.00 0.56 0.00 1.63 -1.07 0.00 0.00 179.97 181.09 1nlj n LYS 9 N -3.96 0.15 0.00 0.04 5.02 -0.70 -2.35 118.16 116.37 1nlj n LYS 9 Ca -0.02 0.07 0.09 0.00 -2.02 0.00 0.00 58.31 56.43 1nlj n LYS 9 Cb 0.52 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.07 1nlj n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nlj n LYS 10 N -1.41 1.53 -2.09 1.97 4.76 -0.85 -4.96 118.16 117.11 1nlj n LYS 10 Ca 0.08 -1.27 -0.07 0.00 -2.87 0.00 0.00 58.31 54.18 1nlj n LYS 10 Cb 0.25 -1.32 -0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1nlj n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nlj n GLY 11 N 1.07 0.11 0.07 0.72 0.00 -0.99 -4.94 105.19 101.23 1nlj n GLY 11 Ca 0.09 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 1nlj n GLY 11 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nlj h TYR 12 N 0.00 0.00 -3.58 1.61 -1.99 -1.53 -3.42 116.97 108.06 1nlj h TYR 12 Ca -0.17 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 59.93 1nlj h TYR 12 Cb 1.10 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.67 1nlj h TYR 12 CO 0.20 0.95 -0.53 0.14 -0.00 0.00 0.00 178.16 178.91 1nlj s VAL 13 N -2.69 5.11 1.05 -2.88 -7.23 -1.25 -3.93 120.40 108.57 1nlj s VAL 13 Ca -0.01 0.09 -0.15 0.00 -1.81 0.00 0.00 61.98 60.10 1nlj s VAL 13 Cb 0.09 -3.38 0.21 0.00 0.56 0.00 0.00 36.38 33.87 1nlj s VAL 13 CO 0.82 0.35 1.12 0.42 -0.31 0.00 0.00 175.10 177.50 1nlj s THR 14 N 1.10 1.89 0.56 5.32 -4.23 -1.26 -4.98 115.64 114.04 1nlj s THR 14 Ca 0.06 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.37 1nlj s THR 14 Cb -0.14 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1nlj s THR 14 CO 0.04 0.00 1.27 -2.84 -0.54 0.00 0.00 174.62 172.55 1nlj s PRO 15 N -5.19 3.10 0.81 3.99 0.02 -1.26 -4.96 135.00 131.51 1nlj s PRO 15 Ca 0.67 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 63.55 1nlj s PRO 15 Cb -0.15 -2.11 0.01 0.00 0.02 0.00 0.00 34.50 32.27 1nlj s PRO 15 CO 0.56 -1.15 0.63 0.28 -0.33 0.00 0.00 177.00 176.99 1nlj n VAL 16 N -1.25 1.34 -4.27 3.83 0.31 -1.26 -5.02 118.33 112.02 1nlj n VAL 16 Ca 0.12 -0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 1nlj n VAL 16 Cb 0.47 -0.80 -0.10 0.00 -0.91 0.00 0.00 33.84 32.50 1nlj n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nlj s LYS 17 N -3.29 1.28 -0.12 5.55 1.02 -1.26 -4.78 119.74 118.14 1nlj s LYS 17 Ca 0.65 -1.68 0.01 0.00 0.02 0.00 0.00 55.97 54.97 1nlj s LYS 17 Cb -0.30 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 36.94 1nlj s LYS 17 CO 0.59 -0.30 -0.13 1.21 -0.92 0.00 0.00 175.35 175.81 1nlj s ASN 18 N -3.24 2.44 0.23 2.83 3.84 -1.25 -2.00 114.94 117.79 1nlj s ASN 18 Ca 0.35 -0.42 -0.07 0.00 0.21 0.00 0.00 52.86 52.94 1nlj s ASN 18 Cb 0.07 -1.05 0.27 0.00 -0.55 0.00 0.00 41.25 39.98 1nlj s ASN 18 CO 0.11 -0.04 1.86 1.56 -2.79 0.00 0.00 177.10 177.80 1nlj h GLN 19 N 7.81 0.96 0.00 0.43 4.20 -1.39 -3.47 115.11 123.66 1nlj h GLN 19 Ca -0.34 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1nlj h GLN 19 Cb 1.15 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1nlj h GLN 19 CO 0.49 0.64 0.00 0.41 -0.67 0.00 0.00 178.83 179.69 1nlj n GLY 20 N -1.32 -0.33 2.60 3.46 0.00 -1.26 -4.03 105.19 104.30 1nlj n GLY 20 Ca 0.10 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1nlj n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nlj n GLN 21 N 0.00 3.74 -3.73 1.61 1.13 -1.26 -4.85 117.38 114.02 1nlj n GLN 21 Ca 0.00 -3.37 -0.13 0.00 -1.94 0.00 0.00 57.00 51.56 1nlj n GLN 21 Cb 0.00 -2.38 -0.14 0.00 0.11 0.00 0.00 30.24 27.83 1nlj n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nlj n GLY 23 N 4.28 3.70 0.96 0.00 0.00 -0.74 -4.52 105.19 108.87 1nlj n GLY 23 Ca -0.25 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.40 1nlj n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nlj n SER 24 N 6.48 3.87 -0.33 1.61 3.41 -1.26 -3.47 113.62 123.94 1nlj n SER 24 Ca 0.52 -2.75 0.08 0.00 -0.26 0.00 0.00 58.87 56.46 1nlj n SER 24 Cb 0.38 -0.49 0.24 0.00 -0.26 0.00 0.00 64.21 64.09 1nlj n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nlj h TRP 26 N 0.79 0.97 -0.56 0.00 5.08 -1.82 0.33 115.95 120.74 1nlj h TRP 26 Ca 0.49 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 60.44 1nlj h TRP 26 Cb 0.61 -0.31 -0.02 0.00 -3.00 0.00 0.00 29.16 26.43 1nlj h TRP 26 CO -0.04 0.50 0.16 0.00 -1.28 0.00 0.00 178.44 177.78 1nlj h ALA 27 N 1.39 0.74 -0.31 0.11 0.00 -1.32 0.61 119.26 120.48 1nlj h ALA 27 Ca 0.37 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1nlj h ALA 27 Cb 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nlj h ALA 27 CO -0.17 0.41 -0.46 0.74 0.00 0.00 0.00 179.25 179.78 1nlj h PHE 28 N 0.79 1.02 -0.67 0.00 -1.00 -0.52 -0.14 116.94 116.42 1nlj h PHE 28 Ca 0.18 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.63 1nlj h PHE 28 Cb 0.30 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 1nlj h PHE 28 CO 0.02 1.13 0.42 1.03 -1.61 0.00 0.00 178.31 179.31 1nlj h SER 29 N 0.66 0.78 0.01 2.17 0.87 -0.18 0.12 113.55 117.99 1nlj h SER 29 Ca 0.04 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nlj h SER 29 Cb 1.05 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1nlj h SER 29 CO 0.10 0.59 -0.01 0.28 -0.53 0.00 0.00 176.83 177.27 1nlj h SER 30 N 0.91 -0.02 -0.74 6.23 0.02 -0.73 -2.52 113.55 116.70 1nlj h SER 30 Ca 0.24 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1nlj h SER 30 Cb -0.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.42 1nlj h SER 30 CO -0.05 0.26 0.42 0.58 -1.14 0.00 0.00 176.83 176.91 1nlj h VAL 31 N -0.30 0.97 -0.01 2.27 2.07 -0.82 -1.65 116.25 118.78 1nlj h VAL 31 Ca -0.00 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1nlj h VAL 31 Cb 0.29 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1nlj h VAL 31 CO 0.00 0.14 -0.24 1.23 0.02 0.00 0.00 177.57 178.72 1nlj h GLY 32 N 0.76 -0.34 0.99 2.17 0.00 -0.61 0.20 103.07 106.24 1nlj h GLY 32 Ca 0.34 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1nlj h GLY 32 CO -0.20 -0.20 0.29 0.00 0.00 0.00 0.00 176.54 176.44 1nlj h ALA 33 N 0.49 0.61 -0.73 3.60 0.00 -1.19 -2.23 119.26 119.81 1nlj h ALA 33 Ca 0.06 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nlj h ALA 33 Cb 0.45 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1nlj h ALA 33 CO -0.22 0.09 0.45 -0.07 0.00 0.00 0.00 179.25 179.50 1nlj h LEU 34 N 0.64 0.73 -1.16 0.00 3.38 -0.82 -1.74 115.31 116.33 1nlj h LEU 34 Ca 0.17 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1nlj h LEU 34 Cb -0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1nlj h LEU 34 CO -0.03 0.49 0.18 -0.33 0.09 0.00 0.00 178.44 178.84 1nlj h GLU 35 N 0.86 0.77 -0.22 1.13 5.08 -0.32 -0.08 114.58 121.80 1nlj h GLU 35 Ca 0.30 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1nlj h GLU 35 Cb 0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1nlj h GLU 35 CO -0.13 0.65 -0.09 0.78 -1.00 0.00 0.00 179.01 179.22 1nlj h GLY 36 N 0.91 0.49 1.50 -3.84 0.00 -0.77 -1.21 103.07 100.14 1nlj h GLY 36 Ca 0.18 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1nlj h GLY 36 CO -0.01 0.39 -0.12 1.46 0.00 0.00 0.00 176.54 178.25 1nlj h GLN 37 N 0.17 0.60 -0.54 4.80 1.08 -1.10 -1.61 115.11 118.51 1nlj h GLN 37 Ca 0.05 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1nlj h GLN 37 Cb 0.57 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1nlj h GLN 37 CO 0.03 0.71 0.25 1.25 -0.95 0.00 0.00 178.83 180.12 1nlj h LEU 38 N 0.55 0.72 -0.22 1.46 5.85 -0.81 -0.40 115.31 122.46 1nlj h LEU 38 Ca 0.10 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1nlj h LEU 38 Cb 0.54 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1nlj h LEU 38 CO 0.03 0.66 0.04 0.50 -0.34 0.00 0.00 178.44 179.34 1nlj h LYS 39 N 0.73 0.36 -0.68 1.25 3.11 -1.03 0.17 116.57 120.47 1nlj h LYS 39 Ca 0.18 -0.09 0.06 0.00 -2.81 0.00 0.00 60.65 57.99 1nlj h LYS 39 Cb 0.14 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.29 1nlj h LYS 39 CO -0.02 0.50 0.45 -0.22 -2.81 0.00 0.00 179.45 177.34 1nlj h LYS 40 N 0.16 0.68 0.06 1.90 3.64 -1.06 0.97 116.57 122.93 1nlj h LYS 40 Ca 0.07 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.09 1nlj h LYS 40 Cb 0.31 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1nlj h LYS 40 CO 0.00 0.45 -1.75 0.87 -2.27 0.00 0.00 179.45 176.76 1nlj h LYS 41 N 0.71 0.13 0.00 1.90 1.79 -0.81 -3.40 116.57 116.89 1nlj h LYS 41 Ca 0.29 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1nlj h LYS 41 Cb 0.24 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1nlj h LYS 41 CO -0.09 0.86 -0.37 0.25 -1.08 0.00 0.00 179.45 179.02 1nlj n THR 42 N -3.27 0.00 -1.03 -0.16 -2.24 0.56 -5.00 114.28 103.13 1nlj n THR 42 Ca -0.21 -0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 61.23 1nlj n THR 42 Cb 1.05 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 70.25 1nlj n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nlj n GLY 43 N 1.19 0.49 3.09 3.38 0.00 0.33 -5.01 105.19 108.66 1nlj n GLY 43 Ca 0.01 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1nlj n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nlj s LYS 44 N -0.96 2.58 -0.16 1.61 1.02 -1.25 -5.00 119.74 117.58 1nlj s LYS 44 Ca 0.00 -0.68 -0.26 0.00 0.02 0.00 0.00 55.97 55.05 1nlj s LYS 44 Cb 0.00 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1nlj s LYS 44 CO 0.00 -0.12 0.86 -1.17 -0.92 0.00 0.00 175.35 174.00 1nlj s LEU 45 N 1.12 4.19 -0.07 3.17 2.96 -1.26 -3.80 118.68 124.98 1nlj s LEU 45 Ca -0.02 1.23 -0.13 0.00 -0.22 0.00 0.00 54.13 55.00 1nlj s LEU 45 Cb -0.14 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.29 1nlj s LEU 45 CO -0.06 -0.41 0.31 -0.22 -1.32 0.00 0.00 176.35 174.66 1nlj s LEU 46 N 2.14 0.82 -0.10 -0.68 2.96 -1.26 -5.08 118.68 117.48 1nlj s LEU 46 Ca 0.40 0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 54.39 1nlj s LEU 46 Cb -0.17 1.18 -0.02 0.00 0.50 0.00 0.00 46.19 47.68 1nlj s LEU 46 CO 0.13 -0.27 1.07 0.20 -1.32 0.00 0.00 176.35 176.15 1nlj s ASN 47 N -0.55 7.18 0.33 3.68 0.02 -1.26 -4.79 114.94 119.55 1nlj s ASN 47 Ca -0.07 1.61 0.01 0.00 -1.02 0.00 0.00 52.86 53.39 1nlj s ASN 47 Cb -0.04 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.64 1nlj s ASN 47 CO 0.02 -0.50 0.52 -0.76 0.02 0.00 0.00 177.10 176.41 1nlj s LEU 48 N 2.12 4.06 -0.66 0.60 1.43 -1.26 -1.40 118.68 123.57 1nlj s LEU 48 Ca 0.50 0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 53.73 1nlj s LEU 48 Cb -0.20 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1nlj s LEU 48 CO 0.19 -0.26 1.41 -0.55 0.23 0.00 0.00 176.35 177.37 1nlj s SER 49 N -4.01 6.01 0.40 2.29 0.15 -0.29 -3.92 113.70 114.33 1nlj s SER 49 Ca 0.39 -0.10 0.19 0.00 0.70 0.00 0.00 55.95 57.13 1nlj s SER 49 Cb -0.10 -2.55 0.85 0.00 -1.71 0.00 0.00 66.02 62.51 1nlj s SER 49 CO 0.35 -1.88 1.82 1.55 1.20 0.00 0.00 173.24 176.28 1nlj h PRO 50 N 11.12 0.00 -0.17 5.44 0.13 -1.86 -2.74 132.00 143.92 1nlj h PRO 50 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1nlj h PRO 50 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1nlj h PRO 50 CO 1.24 0.32 -0.44 0.37 -0.23 0.00 0.00 178.00 179.27 1nlj h GLN 51 N 0.00 0.40 -0.62 0.86 5.75 -1.84 -1.19 115.11 118.46 1nlj h GLN 51 Ca -0.00 -0.21 0.08 0.00 -0.15 0.00 0.00 58.65 58.37 1nlj h GLN 51 Cb 0.73 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.22 1nlj h GLN 51 CO 0.04 0.77 0.29 -0.97 -2.65 0.00 0.00 178.83 176.31 1nlj h ASN 52 N 0.33 0.37 -0.02 -0.69 -0.00 -1.73 -0.42 115.58 113.42 1nlj h ASN 52 Ca 0.03 0.06 -0.01 0.00 -0.00 0.00 0.00 56.30 56.37 1nlj h ASN 52 Cb 0.90 -0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.22 1nlj h ASN 52 CO 0.08 0.23 -0.01 -0.07 -0.00 0.00 0.00 177.43 177.65 1nlj h LEU 53 N 0.52 0.05 -0.96 0.34 3.38 -1.45 -1.74 115.31 115.45 1nlj h LEU 53 Ca 0.30 -0.42 0.14 0.00 0.09 0.00 0.00 57.88 58.00 1nlj h LEU 53 Cb 0.30 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1nlj h LEU 53 CO -0.25 0.45 0.57 0.58 0.09 0.00 0.00 178.44 179.89 1nlj h VAL 54 N -0.36 0.82 0.00 1.22 2.07 -0.78 -1.31 116.25 117.91 1nlj h VAL 54 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1nlj h VAL 54 Cb 0.43 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1nlj h VAL 54 CO 0.00 0.15 -0.81 0.47 0.02 0.00 0.00 177.57 177.40 1nlj n ASP 55 N -4.72 0.63 -0.01 0.57 8.00 -0.21 -4.01 116.55 116.80 1nlj n ASP 55 Ca 0.19 -0.17 -0.00 0.00 0.71 0.00 0.00 54.79 55.52 1nlj n ASP 55 Cb 0.42 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 42.01 1nlj n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nlj s VAL 57 N -2.20 3.75 0.40 0.00 1.01 -0.52 -4.78 120.40 118.06 1nlj s VAL 57 Ca -0.02 -0.76 0.34 0.00 0.00 0.00 0.00 61.98 61.54 1nlj s VAL 57 Cb 0.02 -4.67 0.36 0.00 0.00 0.00 0.00 36.38 32.10 1nlj s VAL 57 CO 0.18 -1.53 2.14 0.77 0.00 0.00 0.00 175.10 176.66 1nlj h SER 58 N 10.08 0.00 0.67 3.32 4.64 -1.89 -1.05 113.55 129.33 1nlj h SER 58 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1nlj h SER 58 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1nlj h SER 58 CO 1.34 0.05 0.00 -0.62 -0.87 0.00 0.00 176.83 176.73 1nlj n GLU 59 N -3.34 0.03 -2.83 4.77 4.71 -1.26 -4.74 120.64 117.98 1nlj n GLU 59 Ca -0.02 0.14 -0.16 0.00 -0.01 0.00 0.00 57.16 57.12 1nlj n GLU 59 Cb 0.21 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.15 1nlj n GLU 59 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1nlj n ASN 60 N -1.48 1.95 -2.12 1.62 5.03 -0.40 -4.94 115.26 114.92 1nlj n ASN 60 Ca 0.05 -2.16 -0.22 0.00 0.87 0.00 0.00 54.58 53.13 1nlj n ASN 60 Cb 0.23 -0.08 0.02 0.00 -1.02 0.00 0.00 39.78 38.94 1nlj n ASN 60 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1nlj n ASP 61 N -2.04 4.58 0.00 6.41 2.03 -0.16 -4.98 116.55 122.38 1nlj n ASP 61 Ca 0.01 -3.58 0.00 0.00 0.52 0.00 0.00 54.79 51.75 1nlj n ASP 61 Cb 0.40 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1nlj n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nlj n GLY 62 N -0.69 3.19 0.00 0.27 0.00 -1.25 0.70 105.19 107.41 1nlj n GLY 62 Ca 0.40 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.69 1nlj n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nlj n GLY 64 N 0.53 -1.58 0.00 0.00 0.00 0.22 -1.79 105.19 102.57 1nlj n GLY 64 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1nlj n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nlj n GLY 65 N 1.32 2.77 3.95 -0.02 0.00 -0.97 -4.93 105.19 107.32 1nlj n GLY 65 Ca 0.04 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 44.02 1nlj n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nlj s GLY 66 N 0.00 -0.10 -0.02 -0.02 0.00 -1.26 -0.99 107.32 104.93 1nlj s GLY 66 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1nlj s GLY 66 CO 0.00 4.85 -0.11 -0.19 0.00 0.00 0.00 173.10 177.65 1nlj s TYR 67 N -2.06 2.78 0.33 1.90 2.02 -1.26 -4.73 117.35 116.33 1nlj s TYR 67 Ca 0.27 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1nlj s TYR 67 Cb -0.01 -1.61 0.57 0.00 -0.40 0.00 0.00 41.96 40.52 1nlj s TYR 67 CO 0.00 0.29 1.87 0.52 -1.57 0.00 0.00 175.55 176.66 1nlj h MET 68 N 4.89 0.58 -0.56 -0.62 2.86 -1.97 -2.89 114.93 117.21 1nlj h MET 68 Ca -0.48 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.05 1nlj h MET 68 Cb 1.16 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1nlj h MET 68 CO 0.51 0.58 0.37 1.79 1.06 0.00 0.00 176.91 181.23 1nlj h THR 69 N 0.55 1.14 -0.84 2.22 1.35 -1.96 0.10 112.91 115.48 1nlj h THR 69 Ca 0.12 -0.26 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1nlj h THR 69 Cb 0.32 0.31 -0.04 0.00 -1.73 0.00 0.00 68.15 67.01 1nlj h THR 69 CO 0.01 0.14 0.54 0.78 -0.25 0.00 0.00 175.52 176.74 1nlj h ASN 70 N 0.76 0.97 -0.30 5.36 -0.26 -1.94 -0.18 115.58 119.99 1nlj h ASN 70 Ca 0.21 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1nlj h ASN 70 Cb -0.09 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 36.92 1nlj h ASN 70 CO -0.05 0.71 0.10 0.00 -1.06 0.00 0.00 177.43 177.14 1nlj h ALA 71 N 1.46 0.40 -0.52 -0.83 0.00 -1.08 -0.67 119.26 118.01 1nlj h ALA 71 Ca 0.31 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1nlj h ALA 71 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1nlj h ALA 71 CO -0.06 0.02 -0.02 0.74 0.00 0.00 0.00 179.25 179.93 1nlj h PHE 72 N 0.33 0.97 -0.46 0.00 0.04 -0.54 -1.70 116.94 115.58 1nlj h PHE 72 Ca 0.10 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1nlj h PHE 72 Cb 0.23 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1nlj h PHE 72 CO 0.00 0.88 0.24 0.37 -0.60 0.00 0.00 178.31 179.21 1nlj h GLN 73 N 0.82 0.65 0.19 1.51 5.75 -0.78 -1.47 115.11 121.78 1nlj h GLN 73 Ca 0.15 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1nlj h GLN 73 Cb 0.52 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1nlj h GLN 73 CO 0.03 0.54 -0.20 -0.92 -2.65 0.00 0.00 178.83 175.62 1nlj h TYR 74 N 0.60 -0.53 -0.87 3.99 3.20 -0.75 -1.60 116.97 121.01 1nlj h TYR 74 Ca 0.16 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.17 1nlj h TYR 74 Cb 0.09 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.47 1nlj h TYR 74 CO -0.01 -0.30 0.48 0.28 -1.64 0.00 0.00 178.16 176.96 1nlj h VAL 75 N -0.43 0.78 0.85 1.81 2.07 -1.11 0.21 116.25 120.44 1nlj h VAL 75 Ca 0.00 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1nlj h VAL 75 Cb 0.41 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1nlj h VAL 75 CO -0.06 0.13 -0.41 -0.61 0.02 0.00 0.00 177.57 176.64 1nlj h GLN 76 N 0.70 -1.10 0.00 1.57 -0.00 -0.65 -0.91 115.11 114.71 1nlj h GLN 76 Ca 0.46 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 59.19 1nlj h GLN 76 Cb 0.60 0.25 0.00 0.00 0.00 0.00 0.00 27.48 28.33 1nlj h GLN 76 CO -0.33 -0.73 0.00 1.57 0.00 0.00 0.00 178.83 179.34 1nlj h LYS 77 N -1.21 0.00 0.00 1.69 2.10 -1.06 -1.17 116.57 116.93 1nlj h LYS 77 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1nlj h LYS 77 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1nlj h LYS 77 CO 0.19 0.00 -0.14 -1.71 -2.00 0.00 0.00 179.45 175.79 1nlj n ASN 78 N -3.04 0.16 -3.13 7.07 5.15 0.73 -4.92 115.26 117.27 1nlj n ASN 78 Ca 0.02 0.29 -0.23 0.00 -0.60 0.00 0.00 54.58 54.06 1nlj n ASN 78 Cb 0.37 -0.29 0.04 0.00 -0.53 0.00 0.00 39.78 39.38 1nlj n ASN 78 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nlj n ARG 79 N -1.52 -5.41 0.00 1.20 1.74 -0.44 -4.92 116.66 107.31 1nlj n ARG 79 Ca 0.07 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 1nlj n ARG 79 Cb 0.34 -5.79 0.00 0.00 -1.02 0.00 0.00 32.46 25.99 1nlj n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nlj n GLY 80 N -1.61 3.66 2.94 -0.13 0.00 -0.47 -4.90 105.19 104.67 1nlj n GLY 80 Ca -0.09 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 1nlj n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nlj s ILE 81 N -2.00 0.60 0.74 -0.61 2.07 0.31 -4.72 121.20 117.60 1nlj s ILE 81 Ca 0.00 -0.22 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 1nlj s ILE 81 Cb 0.00 -0.58 0.04 0.00 0.13 0.00 0.00 42.46 42.05 1nlj s ILE 81 CO 0.00 0.22 1.08 -1.81 -1.91 0.00 0.00 174.94 172.51 1nlj s ASP 82 N 0.51 4.85 0.62 4.50 -0.00 -1.26 -1.07 116.67 124.82 1nlj s ASP 82 Ca -0.07 1.69 -0.08 0.00 -0.00 0.00 0.00 52.55 54.08 1nlj s ASP 82 Cb -0.11 -2.47 0.00 0.00 -0.00 0.00 0.00 42.92 40.35 1nlj s ASP 82 CO 0.00 -1.79 0.97 -0.94 -0.00 0.00 0.00 175.17 173.41 1nlj s SER 83 N -3.60 5.65 0.10 0.27 1.04 -0.67 -1.14 113.70 115.35 1nlj s SER 83 Ca 0.60 0.94 -0.24 0.00 0.48 0.00 0.00 55.95 57.72 1nlj s SER 83 Cb -0.16 -1.89 -0.12 0.00 0.10 0.00 0.00 66.02 63.95 1nlj s SER 83 CO 0.56 -1.10 1.70 -0.08 0.98 0.00 0.00 173.24 175.30 1nlj h GLU 84 N -0.32 -0.18 -0.78 4.02 4.57 -1.35 -1.66 114.58 118.88 1nlj h GLU 84 Ca -0.45 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 57.91 1nlj h GLU 84 Cb 1.25 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.73 1nlj h GLU 84 CO 0.62 -0.12 -0.08 0.22 -1.18 0.00 0.00 179.01 178.47 1nlj h ASP 85 N -0.18 -0.52 1.77 1.04 3.58 -1.93 -0.45 116.42 119.74 1nlj h ASP 85 Ca 0.01 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1nlj h ASP 85 Cb 0.19 0.42 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1nlj h ASP 85 CO -0.04 -0.23 0.00 0.00 -2.88 0.00 0.00 179.24 176.09 1nlj h ALA 86 N 1.76 1.00 -2.20 -0.78 0.00 -1.79 -3.38 119.26 113.87 1nlj h ALA 86 Ca 0.41 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.77 1nlj h ALA 86 Cb 0.70 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.13 1nlj h ALA 86 CO -0.74 0.00 -0.95 0.98 0.00 0.00 0.00 179.25 178.53 1nlj n TYR 87 N -2.90 -1.13 -1.51 0.00 4.19 -0.26 -4.96 117.16 110.59 1nlj n TYR 87 Ca 0.04 -3.17 -0.37 0.00 3.31 0.00 0.00 57.90 57.71 1nlj n TYR 87 Cb 0.48 0.31 0.06 0.00 0.49 0.00 0.00 39.34 40.68 1nlj n TYR 87 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1nlj n PRO 88 N 2.70 0.66 -3.06 2.98 -0.02 -0.68 -4.53 135.00 133.04 1nlj n PRO 88 Ca 0.28 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1nlj n PRO 88 Cb 0.49 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 1nlj n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nlj s TYR 89 N -1.65 3.15 -1.68 6.00 5.04 -1.26 -4.71 117.35 122.24 1nlj s TYR 89 Ca 0.73 0.45 0.19 0.00 -2.44 0.00 0.00 57.07 56.00 1nlj s TYR 89 Cb -0.40 -3.20 -0.02 0.00 0.35 0.00 0.00 41.96 38.69 1nlj s TYR 89 CO 0.50 -0.64 0.95 1.33 -1.34 0.00 0.00 175.55 176.35 1nlj n VAL 90 N 5.62 0.00 -2.84 3.14 0.24 -1.26 -5.02 118.33 118.21 1nlj n VAL 90 Ca 0.00 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.85 1nlj n VAL 90 Cb 0.48 1.21 0.03 0.00 -1.47 0.00 0.00 33.84 34.09 1nlj n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nlj n GLY 91 N 1.28 -0.18 3.57 7.63 0.00 -1.26 -5.00 105.19 111.22 1nlj n GLY 91 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1nlj n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nlj s GLN 92 N -5.41 0.37 0.50 1.61 -2.07 -1.26 -4.56 119.66 108.84 1nlj s GLN 92 Ca 0.23 0.73 -0.23 0.00 -1.82 0.00 0.00 55.36 54.27 1nlj s GLN 92 Cb -0.10 0.22 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 1nlj s GLN 92 CO 0.29 -0.09 1.33 -1.83 -1.32 0.00 0.00 175.29 173.67 1nlj s GLU 93 N 1.76 3.44 0.29 9.60 -1.05 -1.26 -5.02 118.70 126.46 1nlj s GLU 93 Ca -0.07 2.18 -0.06 0.00 -0.15 0.00 0.00 54.97 56.87 1nlj s GLU 93 Cb -0.05 -2.41 -0.01 0.00 -0.44 0.00 0.00 34.13 31.23 1nlj s GLU 93 CO -0.16 -0.93 0.43 -1.83 0.95 0.00 0.00 175.26 173.72 1nlj s GLU 94 N -2.71 1.68 0.48 -4.83 -1.05 -1.26 -5.08 118.70 105.93 1nlj s GLU 94 Ca 0.67 -1.56 -0.22 0.00 -0.15 0.00 0.00 54.97 53.70 1nlj s GLU 94 Cb -0.39 0.43 -0.08 0.00 -0.44 0.00 0.00 34.13 33.65 1nlj s GLU 94 CO 0.47 -0.68 1.03 0.43 0.95 0.00 0.00 175.26 177.46 1nlj n SER 95 N -0.88 1.28 -4.69 0.83 7.64 -1.26 -4.60 113.62 111.94 1nlj n SER 95 Ca 0.00 0.97 -0.42 0.00 1.01 0.00 0.00 58.87 60.43 1nlj n SER 95 Cb 0.62 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 1nlj n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nlj n MET 97 N 5.56 2.16 -1.75 0.00 2.81 -1.26 -5.05 117.12 119.59 1nlj n MET 97 Ca 0.16 -3.50 -0.42 0.00 -1.81 0.00 0.00 57.70 52.13 1nlj n MET 97 Cb 0.40 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 31.27 1nlj n MET 97 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1nlj n TYR 98 N -0.57 2.90 -4.25 2.03 9.36 -1.26 -4.99 117.16 120.38 1nlj n TYR 98 Ca 0.23 0.24 -0.29 0.00 3.32 0.00 0.00 57.90 61.40 1nlj n TYR 98 Cb 0.89 -2.61 -0.17 0.00 -0.63 0.00 0.00 39.34 36.83 1nlj n TYR 98 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1nlj s ASN 99 N 0.52 2.44 0.51 2.98 2.47 -1.26 -5.00 114.94 117.60 1nlj s ASN 99 Ca 0.64 -0.42 0.25 0.00 0.42 0.00 0.00 52.86 53.75 1nlj s ASN 99 Cb -0.49 -1.07 1.35 0.00 -1.45 0.00 0.00 41.25 39.59 1nlj s ASN 99 CO 0.48 -0.03 1.95 -0.65 -3.72 0.00 0.00 177.10 175.13 1nlj h PRO 100 N 7.70 0.09 0.00 0.43 0.11 -2.00 -1.60 132.00 136.74 1nlj h PRO 100 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1nlj h PRO 100 Cb 1.16 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nlj h PRO 100 CO 0.49 0.06 -0.06 1.15 -0.21 0.00 0.00 178.00 179.43 1nlj h THR 101 N 0.09 1.00 -0.52 -1.15 2.02 -2.02 -2.74 112.91 109.59 1nlj h THR 101 Ca 0.33 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1nlj h THR 101 Cb 1.18 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1nlj h THR 101 CO -0.03 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1nlj n GLY 102 N -1.33 3.20 3.67 2.16 0.00 -0.60 -4.98 105.19 107.31 1nlj n GLY 102 Ca -0.03 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1nlj n GLY 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nlj s LYS 103 N -2.78 4.18 0.00 1.61 2.20 -1.04 -1.67 119.74 122.25 1nlj s LYS 103 Ca 0.53 2.31 0.04 0.00 -0.36 0.00 0.00 55.97 58.49 1nlj s LYS 103 Cb 0.40 -3.84 0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1nlj s LYS 103 CO 0.15 -0.81 0.66 0.00 -0.36 0.00 0.00 175.35 174.98 1nlj n ALA 104 N 6.49 2.47 -3.62 3.13 0.00 -0.23 -4.87 120.51 123.88 1nlj n ALA 104 Ca 0.17 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 1nlj n ALA 104 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 1nlj n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nlj s ALA 105 N -0.38 -2.12 0.18 0.00 0.00 -1.16 -4.99 121.76 113.28 1nlj s ALA 105 Ca 0.05 1.74 0.01 0.00 0.00 0.00 0.00 51.96 53.75 1nlj s ALA 105 Cb 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1nlj s ALA 105 CO 0.05 -0.55 0.05 -1.59 0.00 0.00 0.00 175.76 173.71 1nlj s LYS 106 N -2.18 1.11 0.10 0.00 -2.85 -1.26 -0.53 119.74 114.12 1nlj s LYS 106 Ca 0.10 -1.55 0.08 0.00 -1.00 0.00 0.00 55.97 53.60 1nlj s LYS 106 Cb -0.01 -0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.67 1nlj s LYS 106 CO -0.04 -0.22 -0.20 0.00 0.10 0.00 0.00 175.35 174.99 1nlj n ARG 108 N 1.14 1.33 0.00 0.00 1.74 -0.30 -4.11 116.66 116.45 1nlj n ARG 108 Ca -0.20 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.18 1nlj n ARG 108 Cb 0.54 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1nlj n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nlj n GLY 109 N -1.38 0.42 3.41 -0.13 0.00 -1.26 -4.81 105.19 101.45 1nlj n GLY 109 Ca 0.16 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 1nlj n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nlj s TYR 110 N -0.12 -0.25 0.07 1.61 1.13 -1.26 0.05 117.35 118.58 1nlj s TYR 110 Ca 0.00 -0.05 0.07 0.00 -1.41 0.00 0.00 57.07 55.68 1nlj s TYR 110 Cb 0.00 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 41.20 1nlj s TYR 110 CO 0.00 -0.81 -0.18 1.03 -2.51 0.00 0.00 175.55 173.08 1nlj s ARG 111 N -3.81 1.12 -0.02 -3.49 0.52 -0.56 -4.90 118.95 107.80 1nlj s ARG 111 Ca 0.04 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 1nlj s ARG 111 Cb 0.00 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.19 1nlj s ARG 111 CO -0.09 0.30 -0.06 -1.21 0.02 0.00 0.00 175.30 174.26 1nlj s GLU 112 N -1.51 2.66 0.26 3.54 2.02 -1.26 -1.92 118.70 122.48 1nlj s GLU 112 Ca 0.05 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 1nlj s GLU 112 Cb -0.09 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.48 1nlj s GLU 112 CO 0.03 0.63 0.95 0.42 0.02 0.00 0.00 175.26 177.30 1nlj s ILE 113 N -0.94 4.08 -0.08 -1.63 1.09 -0.68 -4.95 121.20 118.08 1nlj s ILE 113 Ca 0.16 2.02 -0.36 0.00 -1.10 0.00 0.00 60.65 61.36 1nlj s ILE 113 Cb -0.11 -4.26 -0.14 0.00 -1.06 0.00 0.00 42.46 36.89 1nlj s ILE 113 CO 0.06 0.43 1.71 -2.65 -0.10 0.00 0.00 174.94 174.39 1nlj n PRO 114 N 1.30 1.72 -1.61 2.79 -0.02 -1.26 -4.64 135.00 133.28 1nlj n PRO 114 Ca -0.01 0.63 -0.58 0.00 -2.02 0.00 0.00 63.50 61.51 1nlj n PRO 114 Cb 0.48 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 1nlj n PRO 114 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nlj n GLU 115 N 5.15 0.56 -1.03 -0.52 2.13 -1.26 -1.49 120.64 124.18 1nlj n GLU 115 Ca 0.22 0.20 -0.01 0.00 0.66 0.00 0.00 57.16 58.24 1nlj n GLU 115 Cb 0.23 -1.78 -0.00 0.00 0.27 0.00 0.00 31.44 30.15 1nlj n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nlj n GLY 116 N 2.70 0.31 3.28 8.31 0.00 0.20 -4.95 105.19 115.03 1nlj n GLY 116 Ca 0.22 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1nlj n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nlj s ASN 117 N -2.08 6.19 0.50 1.61 3.84 -0.56 -4.85 114.94 119.61 1nlj s ASN 117 Ca 0.00 -2.19 0.28 0.00 0.21 0.00 0.00 52.86 51.16 1nlj s ASN 117 Cb 0.00 -2.14 1.29 0.00 -0.55 0.00 0.00 41.25 39.85 1nlj s ASN 117 CO 0.00 -0.70 1.99 -0.33 -2.79 0.00 0.00 177.10 175.27 1nlj h GLU 118 N 8.30 0.00 -0.28 0.43 5.08 -1.90 -2.19 114.58 124.02 1nlj h GLU 118 Ca -0.13 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.08 1nlj h GLU 118 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1nlj h GLU 118 CO 0.89 0.14 -0.43 0.87 -1.00 0.00 0.00 179.01 179.48 1nlj h LYS 119 N 0.00 0.78 -0.66 2.33 6.56 -1.98 -1.14 116.57 122.46 1nlj h LYS 119 Ca -0.00 -0.47 -0.07 0.00 -1.06 0.00 0.00 60.65 59.05 1nlj h LYS 119 Cb 0.49 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.17 1nlj h LYS 119 CO 0.02 1.10 0.13 0.00 -2.06 0.00 0.00 179.45 178.64 1nlj h ALA 120 N 0.68 0.98 -0.60 3.86 0.00 -1.85 -0.49 119.26 121.83 1nlj h ALA 120 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1nlj h ALA 120 Cb 1.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1nlj h ALA 120 CO 0.10 0.65 0.07 1.25 0.00 0.00 0.00 179.25 181.32 1nlj h LEU 121 N 1.01 0.95 -0.24 0.00 5.85 -1.31 0.44 115.31 122.01 1nlj h LEU 121 Ca 0.21 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1nlj h LEU 121 Cb 0.40 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1nlj h LEU 121 CO 0.01 0.96 0.11 0.50 -0.34 0.00 0.00 178.44 179.67 1nlj h LYS 122 N 0.93 0.35 -0.62 1.25 3.64 -0.63 0.32 116.57 121.80 1nlj h LYS 122 Ca 0.18 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1nlj h LYS 122 Cb 0.44 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1nlj h LYS 122 CO 0.01 0.37 0.36 0.00 -2.27 0.00 0.00 179.45 177.92 1nlj h ARG 123 N 0.24 0.85 -0.00 1.90 3.08 -0.77 -0.90 114.38 118.79 1nlj h ARG 123 Ca 0.08 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nlj h ARG 123 Cb 0.14 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1nlj h ARG 123 CO -0.01 0.63 -0.02 0.00 -1.07 0.00 0.00 179.97 179.50 1nlj h ALA 124 N 1.18 -0.01 -0.80 0.04 0.00 -0.60 0.19 119.26 119.25 1nlj h ALA 124 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1nlj h ALA 124 Cb 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1nlj h ALA 124 CO -0.04 -0.51 0.52 0.28 0.00 0.00 0.00 179.25 179.50 1nlj h VAL 125 N -0.03 0.98 0.49 0.00 2.07 -0.71 0.17 116.25 119.22 1nlj h VAL 125 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1nlj h VAL 125 Cb 0.04 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1nlj h VAL 125 CO -0.02 0.14 -0.24 0.00 0.02 0.00 0.00 177.57 177.48 1nlj h ALA 126 N 1.59 -0.66 0.09 1.67 0.00 -0.23 -3.11 119.26 118.61 1nlj h ALA 126 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nlj h ALA 126 Cb 0.38 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nlj h ALA 126 CO -0.14 -0.71 -0.05 0.00 0.00 0.00 0.00 179.25 178.35 1nlj h ARG 127 N -0.98 -0.12 0.00 0.00 -0.00 -0.30 -3.41 114.38 109.57 1nlj h ARG 127 Ca -0.07 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1nlj h ARG 127 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.60 1nlj h ARG 127 CO 0.11 0.19 -0.07 0.28 0.00 0.00 0.00 179.97 180.48 1nlj h VAL 128 N -0.44 0.00 0.00 2.04 2.07 -0.84 -3.51 116.25 115.57 1nlj h VAL 128 Ca -0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1nlj h VAL 128 Cb 0.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1nlj h VAL 128 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1nlj n GLY 129 N 1.83 0.27 3.70 2.17 0.00 -1.18 -4.91 105.19 107.08 1nlj n GLY 129 Ca -0.01 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 1nlj n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nlj n PRO 130 N 0.00 2.52 -5.07 1.61 -0.02 -1.26 -4.41 135.00 128.37 1nlj n PRO 130 Ca 0.00 0.91 -0.32 0.00 -2.02 0.00 0.00 63.50 62.07 1nlj n PRO 130 Cb 0.00 -2.71 -0.15 0.00 -0.02 0.00 0.00 33.50 30.62 1nlj n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nlj s VAL 131 N 0.90 2.59 0.06 -1.45 1.01 0.02 -4.61 120.40 118.92 1nlj s VAL 131 Ca 0.75 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1nlj s VAL 131 Cb -0.57 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1nlj s VAL 131 CO 0.37 0.58 1.01 -0.44 0.00 0.00 0.00 175.10 176.61 1nlj s SER 132 N -0.57 7.38 0.08 3.32 0.01 -0.12 -0.01 113.70 123.79 1nlj s SER 132 Ca 0.08 1.79 0.02 0.00 1.31 0.00 0.00 55.95 59.14 1nlj s SER 132 Cb -0.11 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1nlj s SER 132 CO 0.01 -0.20 -0.07 0.68 0.41 0.00 0.00 173.24 174.06 1nlj s VAL 133 N 0.52 0.61 0.05 3.43 -7.23 -0.47 -0.99 120.40 116.32 1nlj s VAL 133 Ca 0.51 -1.63 0.06 0.00 -1.81 0.00 0.00 61.98 59.10 1nlj s VAL 133 Cb -0.23 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 1nlj s VAL 133 CO 0.29 -0.72 -0.14 0.00 -0.31 0.00 0.00 175.10 174.23 1nlj s ALA 134 N -2.88 2.77 0.29 1.32 0.00 -1.20 -0.73 121.76 121.33 1nlj s ALA 134 Ca 0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1nlj s ALA 134 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1nlj s ALA 134 CO -0.03 0.60 0.35 0.96 0.00 0.00 0.00 175.76 177.63 1nlj s ILE 135 N -1.01 0.00 -0.45 0.00 -4.36 0.32 -4.13 121.20 111.57 1nlj s ILE 135 Ca 0.17 -1.76 -0.15 0.00 -0.26 0.00 0.00 60.65 58.65 1nlj s ILE 135 Cb -0.11 -2.51 0.06 0.00 1.25 0.00 0.00 42.46 41.15 1nlj s ILE 135 CO 0.08 0.00 0.35 -0.62 0.24 0.00 0.00 174.94 174.99 1nlj s ASP 136 N -3.22 6.09 -0.24 4.36 3.68 -0.81 -0.46 116.67 126.06 1nlj s ASP 136 Ca 0.34 -1.22 0.11 0.00 2.13 0.00 0.00 52.55 53.91 1nlj s ASP 136 Cb 0.02 -2.16 0.47 0.00 -1.45 0.00 0.00 42.92 39.80 1nlj s ASP 136 CO 0.19 -0.58 1.37 0.00 0.13 0.00 0.00 175.17 176.28 1nlj n ALA 137 N 5.16 3.79 0.15 3.66 0.00 -1.26 -4.78 120.51 127.23 1nlj n ALA 137 Ca -0.12 -3.02 -0.06 0.00 0.00 0.00 0.00 53.44 50.24 1nlj n ALA 137 Cb 0.45 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1nlj n ALA 137 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nlj h SER 138 N 1.00 -0.32 -0.63 0.00 0.02 -1.90 -3.44 113.55 108.29 1nlj h SER 138 Ca 0.12 0.01 -0.48 0.00 -0.84 0.00 0.00 61.79 60.60 1nlj h SER 138 Cb 1.41 0.08 0.04 0.00 0.14 0.00 0.00 62.40 64.08 1nlj h SER 138 CO 0.24 -0.22 -0.06 0.18 -1.14 0.00 0.00 176.83 175.83 1nlj n LEU 139 N -3.01 -0.20 0.27 5.07 4.32 -1.26 -4.79 117.00 117.39 1nlj n LEU 139 Ca -0.05 0.72 0.16 0.00 -0.02 0.00 0.00 56.01 56.82 1nlj n LEU 139 Cb 0.15 -0.58 0.73 0.00 -1.62 0.00 0.00 43.42 42.09 1nlj n LEU 139 CO 0.11 -1.37 0.98 0.71 -1.22 0.00 0.00 177.39 176.60 1nlj h THR 140 N 1.56 0.25 0.00 -5.08 1.35 -2.00 -0.77 112.91 108.22 1nlj h THR 140 Ca -0.28 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 1nlj h THR 140 Cb 0.90 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1nlj h THR 140 CO 0.39 0.07 -0.07 0.77 -0.25 0.00 0.00 175.52 176.44 1nlj h SER 141 N 0.00 0.00 0.16 5.36 4.64 -1.96 -0.48 113.55 121.28 1nlj h SER 141 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1nlj h SER 141 Cb 0.45 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1nlj h SER 141 CO 0.01 0.07 -1.26 0.15 -0.87 0.00 0.00 176.83 174.92 1nlj h PHE 142 N 0.00 0.99 -0.67 4.77 3.57 -1.47 -3.28 116.94 120.86 1nlj h PHE 142 Ca -0.00 -0.63 0.13 0.00 3.53 0.00 0.00 57.97 60.99 1nlj h PHE 142 Cb 0.13 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 1nlj h PHE 142 CO 0.00 1.47 0.20 0.37 -2.23 0.00 0.00 178.31 178.12 1nlj h GLN 143 N 0.26 0.32 -1.83 1.11 5.75 -0.86 -2.81 115.11 117.05 1nlj h GLN 143 Ca -0.19 -0.02 -0.66 0.00 -0.15 0.00 0.00 58.65 57.63 1nlj h GLN 143 Cb 1.94 -0.07 -0.36 0.00 1.07 0.00 0.00 27.48 30.05 1nlj h GLN 143 CO 0.24 0.21 -0.05 1.97 -2.65 0.00 0.00 178.83 178.55 1nlj n PHE 144 N -5.08 3.33 -2.76 3.99 -1.74 -0.95 -4.86 117.46 109.39 1nlj n PHE 144 Ca 0.11 -2.97 -0.36 0.00 -0.56 0.00 0.00 57.45 53.67 1nlj n PHE 144 Cb 0.36 -0.55 -0.06 0.00 1.52 0.00 0.00 39.48 40.75 1nlj n PHE 144 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1nlj s TYR 145 N -3.75 3.60 0.00 2.97 5.04 -1.06 -4.94 117.35 119.21 1nlj s TYR 145 Ca 0.49 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.86 1nlj s TYR 145 Cb 0.38 -2.93 0.00 0.00 0.35 0.00 0.00 41.96 39.75 1nlj s TYR 145 CO -0.24 0.09 0.00 -1.13 -1.34 0.00 0.00 175.55 172.93 1nlj n SER 146 N 0.34 0.06 -3.67 4.32 3.41 -1.26 -3.22 113.62 113.61 1nlj n SER 146 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.63 1nlj n SER 146 Cb 0.51 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1nlj n SER 146 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nlj s LYS 147 N -0.32 0.71 0.37 4.33 -2.85 -1.26 -3.40 119.74 117.33 1nlj s LYS 147 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 1nlj s LYS 147 Cb 0.00 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1nlj s LYS 147 CO 0.00 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1nlj n GLY 148 N -0.47 -2.37 3.34 0.59 0.00 -1.26 -4.70 105.19 100.32 1nlj n GLY 148 Ca -0.07 -1.59 -0.46 0.00 0.00 0.00 0.00 46.02 43.90 1nlj n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nlj s VAL 149 N -0.55 5.09 0.28 1.61 1.01 -1.26 -4.22 120.40 122.37 1nlj s VAL 149 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.25 1nlj s VAL 149 Cb 0.00 -4.43 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 1nlj s VAL 149 CO 0.00 -1.01 1.31 0.00 0.00 0.00 0.00 175.10 175.40 1nlj n TYR 150 N 5.55 2.08 -3.51 5.22 9.36 0.31 -4.75 117.16 131.43 1nlj n TYR 150 Ca -0.07 0.52 -0.00 0.00 3.32 0.00 0.00 57.90 61.66 1nlj n TYR 150 Cb 0.42 -2.41 -0.05 0.00 -0.63 0.00 0.00 39.34 36.67 1nlj n TYR 150 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1nlj s TYR 151 N -0.58 -0.80 -0.17 2.98 5.04 -1.26 -1.50 117.35 121.06 1nlj s TYR 151 Ca 0.62 1.43 -0.03 0.00 -2.44 0.00 0.00 57.07 56.65 1nlj s TYR 151 Cb -0.63 0.48 0.06 0.00 0.35 0.00 0.00 41.96 42.21 1nlj s TYR 151 CO 0.56 -0.40 0.04 0.34 -1.34 0.00 0.00 175.55 174.75 1nlj s ASP 152 N 2.27 2.65 0.38 4.32 -1.08 -1.26 -5.00 116.67 118.96 1nlj s ASP 152 Ca -0.05 -0.69 0.13 0.00 -0.52 0.00 0.00 52.55 51.42 1nlj s ASP 152 Cb -0.07 -0.52 0.70 0.00 -1.46 0.00 0.00 42.92 41.57 1nlj s ASP 152 CO -0.17 -0.30 1.29 1.05 0.52 0.00 0.00 175.17 177.55 1nlj h GLU 153 N 8.28 0.00 0.00 4.34 -0.00 -2.03 0.46 114.58 125.63 1nlj h GLU 153 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 1nlj h GLU 153 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1nlj h GLU 153 CO 0.32 0.00 -0.36 0.43 -0.00 0.00 0.00 179.01 179.40 1nlj n SER 154 N -2.14 0.57 -4.69 3.06 7.64 -1.26 -4.91 113.62 111.90 1nlj n SER 154 Ca -0.01 0.21 -0.38 0.00 1.01 0.00 0.00 58.87 59.70 1nlj n SER 154 Cb 0.42 -0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.52 1nlj n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nlj s ASN 156 N -1.05 4.28 0.10 0.00 2.47 -1.26 -4.72 114.94 114.76 1nlj s ASN 156 Ca 0.73 -1.45 0.10 0.00 0.42 0.00 0.00 52.86 52.66 1nlj s ASN 156 Cb -0.43 -1.41 0.48 0.00 -1.45 0.00 0.00 41.25 38.44 1nlj s ASN 156 CO 0.48 -0.24 1.31 -1.54 -3.72 0.00 0.00 177.10 173.39 1nlj n SER 157 N 4.50 0.19 0.01 -4.21 3.41 -1.26 -0.60 113.62 115.66 1nlj n SER 157 Ca -0.10 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 1nlj n SER 157 Cb 0.43 -0.61 0.12 0.00 -0.26 0.00 0.00 64.21 63.89 1nlj n SER 157 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nlj n ASP 158 N -1.75 0.65 -4.19 4.04 10.43 -1.26 -4.37 116.55 120.10 1nlj n ASP 158 Ca 0.01 -0.43 -0.39 0.00 2.57 0.00 0.00 54.79 56.54 1nlj n ASP 158 Cb 0.06 0.51 -0.04 0.00 1.84 0.00 0.00 41.12 43.49 1nlj n ASP 158 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1nlj s ASN 159 N -3.15 6.46 -0.25 -2.24 2.47 0.23 -5.02 114.94 113.44 1nlj s ASN 159 Ca 0.09 -3.64 -0.20 0.00 0.42 0.00 0.00 52.86 49.53 1nlj s ASN 159 Cb 0.17 -2.02 -0.02 0.00 -1.45 0.00 0.00 41.25 37.93 1nlj s ASN 159 CO 0.76 -0.23 0.59 -0.76 -3.72 0.00 0.00 177.10 173.74 1nlj s LEU 160 N -1.27 4.07 0.00 3.21 1.43 -1.26 -3.49 118.68 121.38 1nlj s LEU 160 Ca 0.28 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1nlj s LEU 160 Cb -0.09 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1nlj s LEU 160 CO -0.11 -0.32 0.02 -0.46 0.23 0.00 0.00 176.35 175.71 1nlj n ASN 161 N 5.51 0.04 -4.09 2.29 0.23 0.39 -4.94 115.26 114.70 1nlj n ASN 161 Ca -0.02 -0.26 -0.16 0.00 -0.53 0.00 0.00 54.58 53.61 1nlj n ASN 161 Cb 0.49 0.24 -0.12 0.00 -2.08 0.00 0.00 39.78 38.31 1nlj n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1nlj s HIS 162 N -0.24 0.89 -0.13 -2.53 5.04 -0.82 -4.97 115.29 112.54 1nlj s HIS 162 Ca 0.00 -0.39 0.02 0.00 -1.54 0.00 0.00 55.06 53.15 1nlj s HIS 162 Cb 0.00 -0.53 -0.00 0.00 0.04 0.00 0.00 32.58 32.09 1nlj s HIS 162 CO 0.00 -0.01 -0.19 0.00 -2.34 0.00 0.00 174.74 172.20 1nlj s ALA 163 N -1.02 2.38 0.01 1.58 0.00 -1.26 -0.52 121.76 122.93 1nlj s ALA 163 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1nlj s ALA 163 Cb -0.08 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1nlj s ALA 163 CO 0.01 0.13 0.01 1.55 0.00 0.00 0.00 175.76 177.46 1nlj n VAL 164 N 3.77 0.00 -4.94 0.00 3.14 0.09 -4.45 118.33 115.94 1nlj n VAL 164 Ca -0.19 -0.09 -0.28 0.00 -2.96 0.00 0.00 64.34 60.83 1nlj n VAL 164 Cb 0.52 0.04 -0.16 0.00 -1.06 0.00 0.00 33.84 33.18 1nlj n VAL 164 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1nlj s LEU 165 N 0.00 1.92 -0.37 6.55 2.96 -1.17 -1.37 118.68 127.20 1nlj s LEU 165 Ca 0.01 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.36 1nlj s LEU 165 Cb 0.00 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.60 1nlj s LEU 165 CO 0.01 0.15 0.37 0.00 -1.32 0.00 0.00 176.35 175.55 1nlj s ALA 166 N 0.18 3.47 -1.87 5.97 0.00 0.99 -0.29 121.76 130.21 1nlj s ALA 166 Ca -0.09 -1.38 0.17 0.00 0.00 0.00 0.00 51.96 50.66 1nlj s ALA 166 Cb -0.14 -2.89 0.30 0.00 0.00 0.00 0.00 23.12 20.39 1nlj s ALA 166 CO 0.04 -1.27 1.22 0.28 0.00 0.00 0.00 175.76 176.03 1nlj n VAL 167 N 5.28 0.45 -0.93 0.00 0.31 0.26 -0.80 118.33 122.90 1nlj n VAL 167 Ca -0.09 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 1nlj n VAL 167 Cb 0.48 0.97 0.00 0.00 -0.91 0.00 0.00 33.84 34.39 1nlj n VAL 167 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nlj n GLY 168 N 1.04 -1.81 3.49 2.92 0.00 -1.23 -1.66 105.19 107.95 1nlj n GLY 168 Ca 0.14 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1nlj n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nlj s TYR 169 N -2.27 -0.60 0.00 1.61 -0.85 -0.45 -0.09 117.35 114.71 1nlj s TYR 169 Ca 0.00 0.81 0.00 0.00 -0.52 0.00 0.00 57.07 57.36 1nlj s TYR 169 Cb 0.00 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.81 1nlj s TYR 169 CO 0.00 -0.69 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 1nlj n GLY 170 N 0.41 1.66 3.03 5.49 0.00 -0.96 -0.70 105.19 114.12 1nlj n GLY 170 Ca -0.18 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1nlj n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nlj s ILE 171 N -0.56 0.16 0.00 -0.61 1.09 -1.26 -0.48 121.20 119.54 1nlj s ILE 171 Ca 0.00 -1.29 0.00 0.00 -1.10 0.00 0.00 60.65 58.26 1nlj s ILE 171 Cb 0.00 -0.80 0.00 0.00 -1.06 0.00 0.00 42.46 40.60 1nlj s ILE 171 CO 0.00 -0.71 0.00 1.67 -0.10 0.00 0.00 174.94 175.80 1nlj n GLN 172 N 0.97 0.00 -0.32 2.79 7.27 0.03 -4.85 117.38 123.27 1nlj n GLN 172 Ca -0.20 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 56.85 1nlj n GLN 172 Cb 0.58 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.19 1nlj n GLN 172 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1nlj n LYS 173 N 0.00 0.63 -1.32 3.69 4.01 -1.26 -3.89 118.16 120.02 1nlj n LYS 173 Ca 0.00 -0.21 -0.00 0.00 -0.51 0.00 0.00 58.31 57.59 1nlj n LYS 173 Cb 0.00 -1.49 -0.00 0.00 -0.51 0.00 0.00 35.03 33.03 1nlj n LYS 173 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nlj n GLY 174 N 2.27 0.38 3.21 0.72 0.00 -1.26 -5.02 105.19 105.50 1nlj n GLY 174 Ca 0.09 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1nlj n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nlj s ASN 175 N -3.00 4.98 0.34 1.61 0.02 -1.25 -5.09 114.94 112.55 1nlj s ASN 175 Ca 0.00 -1.17 -0.29 0.00 -1.02 0.00 0.00 52.86 50.38 1nlj s ASN 175 Cb 0.00 -1.76 -0.10 0.00 0.02 0.00 0.00 41.25 39.40 1nlj s ASN 175 CO 0.00 -0.27 1.32 -0.54 0.02 0.00 0.00 177.10 177.64 1nlj s LYS 176 N 1.31 4.32 0.31 -0.60 1.02 -1.26 -0.79 119.74 124.06 1nlj s LYS 176 Ca -0.03 2.25 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 1nlj s LYS 176 Cb -0.19 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1nlj s LYS 176 CO 0.00 -0.23 0.43 -2.39 -0.92 0.00 0.00 175.35 172.24 1nlj n HIS 177 N 0.74 -1.33 -4.94 3.18 1.44 0.37 -1.58 115.22 113.10 1nlj n HIS 177 Ca 0.00 -2.12 -0.27 0.00 -2.01 0.00 0.00 57.72 53.32 1nlj n HIS 177 Cb 0.42 0.49 -0.16 0.00 0.12 0.00 0.00 29.99 30.86 1nlj n HIS 177 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1nlj s TRP 178 N -3.14 1.80 -0.51 -1.40 0.52 0.65 -2.26 118.94 114.61 1nlj s TRP 178 Ca 0.26 -0.43 -0.21 0.00 0.02 0.00 0.00 56.10 55.74 1nlj s TRP 178 Cb -0.01 -1.19 0.05 0.00 -1.15 0.00 0.00 33.47 31.17 1nlj s TRP 178 CO 0.19 -0.10 0.75 0.42 0.02 0.00 0.00 176.95 178.22 1nlj s ILE 179 N -0.24 4.69 -0.24 2.03 1.01 0.88 -1.46 121.20 127.86 1nlj s ILE 179 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1nlj s ILE 179 Cb -0.10 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1nlj s ILE 179 CO 0.01 -0.88 0.13 -0.63 0.00 0.00 0.00 174.94 173.56 1nlj s ILE 180 N 3.15 4.99 -0.51 2.92 -1.09 -0.05 -0.58 121.20 130.03 1nlj s ILE 180 Ca 0.22 0.05 -0.20 0.00 -2.23 0.00 0.00 60.65 58.50 1nlj s ILE 180 Cb -0.16 -3.33 0.06 0.00 -1.58 0.00 0.00 42.46 37.45 1nlj s ILE 180 CO 0.16 0.34 0.65 -0.75 -1.23 0.00 0.00 174.94 174.11 1nlj s LYS 181 N 1.27 3.14 0.69 2.79 2.20 0.61 -1.26 119.74 129.18 1nlj s LYS 181 Ca 0.06 -0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 54.79 1nlj s LYS 181 Cb -0.14 -4.09 0.07 0.00 -1.51 0.00 0.00 37.83 32.15 1nlj s LYS 181 CO 0.05 -1.24 0.99 1.21 -0.36 0.00 0.00 175.35 176.00 1nlj s ASN 182 N 2.70 4.74 -0.36 1.43 2.47 -0.79 -3.06 114.94 122.07 1nlj s ASN 182 Ca 0.17 0.27 0.10 0.00 0.42 0.00 0.00 52.86 53.82 1nlj s ASN 182 Cb -0.19 -0.90 0.45 0.00 -1.45 0.00 0.00 41.25 39.16 1nlj s ASN 182 CO 0.13 -1.61 1.11 -1.54 -3.72 0.00 0.00 177.10 171.46 1nlj n SER 183 N -2.86 3.87 -1.98 -4.21 3.41 -1.26 -4.51 113.62 106.08 1nlj n SER 183 Ca 0.09 -3.37 -0.24 0.00 -0.26 0.00 0.00 58.87 55.09 1nlj n SER 183 Cb 0.60 -0.44 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 1nlj n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1nlj n TRP 184 N -0.49 2.64 -0.02 7.33 8.01 -1.17 -0.96 117.44 132.78 1nlj n TRP 184 Ca 0.32 -2.35 0.00 0.00 -1.31 0.00 0.00 57.50 54.15 1nlj n TRP 184 Cb 0.79 -0.65 -0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1nlj n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nlj n GLY 185 N -0.82 -2.77 0.32 6.99 0.00 -0.85 -3.95 105.19 104.11 1nlj n GLY 185 Ca 0.47 -1.33 0.20 0.00 0.00 0.00 0.00 46.02 45.36 1nlj n GLY 185 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nlj h GLU 186 N -0.00 0.00 -0.71 1.61 5.08 -1.84 -2.67 114.58 116.04 1nlj h GLU 186 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1nlj h GLU 186 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1nlj h GLU 186 CO 0.00 0.01 0.18 -0.97 -1.00 0.00 0.00 179.01 177.23 1nlj h ASN 187 N 0.00 1.08 -4.21 1.42 -0.00 -1.88 -2.01 115.58 109.98 1nlj h ASN 187 Ca -0.00 -0.23 -0.52 0.00 -0.00 0.00 0.00 56.30 55.55 1nlj h ASN 187 Cb 0.14 -0.28 0.12 0.00 -0.00 0.00 0.00 38.32 38.30 1nlj h ASN 187 CO 0.00 1.03 0.36 0.86 -0.00 0.00 0.00 177.43 179.68 1nlj s TRP 188 N -5.32 2.43 0.00 0.67 -0.00 -1.01 -4.69 118.94 111.01 1nlj s TRP 188 Ca -0.12 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.56 1nlj s TRP 188 Cb 0.15 -3.23 0.00 0.00 -0.00 0.00 0.00 33.47 30.38 1nlj s TRP 188 CO 0.85 -1.97 0.00 0.41 -0.00 0.00 0.00 176.95 176.24 1nlj n GLY 189 N -0.36 0.20 3.57 5.86 0.00 -1.20 0.46 105.19 113.73 1nlj n GLY 189 Ca 0.11 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1nlj n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nlj s ASN 190 N -4.00 5.12 -1.52 1.61 3.84 -0.98 -3.71 114.94 115.30 1nlj s ASN 190 Ca 0.00 -1.04 -0.06 0.00 0.21 0.00 0.00 52.86 51.97 1nlj s ASN 190 Cb 0.00 -2.57 0.01 0.00 -0.55 0.00 0.00 41.25 38.14 1nlj s ASN 190 CO 0.00 -2.85 0.76 1.17 -2.79 0.00 0.00 177.10 173.39 1nlj n LYS 191 N 8.65 -5.70 0.00 0.43 4.81 -1.22 -2.04 118.16 123.10 1nlj n LYS 191 Ca 0.42 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.76 1nlj n LYS 191 Cb 0.47 -5.81 0.00 0.00 0.02 0.00 0.00 35.03 29.70 1nlj n LYS 191 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nlj n GLY 192 N -1.66 3.24 3.98 3.14 0.00 0.17 -4.67 105.19 109.41 1nlj n GLY 192 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1nlj n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nlj s TYR 193 N -2.43 2.86 -0.24 1.61 1.51 -0.86 -1.89 117.35 117.91 1nlj s TYR 193 Ca 0.00 -0.10 -0.22 0.00 -1.01 0.00 0.00 57.07 55.74 1nlj s TYR 193 Cb 0.00 -2.65 0.06 0.00 -0.11 0.00 0.00 41.96 39.27 1nlj s TYR 193 CO 0.00 -0.74 0.65 -1.50 -1.11 0.00 0.00 175.55 172.84 1nlj s ILE 194 N -2.65 -0.00 -0.23 2.71 2.07 -0.39 -2.32 121.20 120.39 1nlj s ILE 194 Ca 0.56 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.68 1nlj s ILE 194 Cb -0.10 -0.90 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 1nlj s ILE 194 CO 0.37 0.00 0.26 -0.76 -1.91 0.00 0.00 174.94 172.90 1nlj s LEU 195 N 0.39 4.12 0.11 8.50 1.02 -1.26 -0.87 118.68 130.69 1nlj s LEU 195 Ca -0.00 0.25 0.07 0.00 0.02 0.00 0.00 54.13 54.47 1nlj s LEU 195 Cb -0.05 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.86 1nlj s LEU 195 CO 0.00 -0.01 -0.10 -0.04 0.02 0.00 0.00 176.35 176.22 1nlj s MET 196 N 1.27 2.11 0.10 1.70 -1.94 -0.54 -0.53 119.30 121.47 1nlj s MET 196 Ca 0.12 -1.04 -0.35 0.00 -1.71 0.00 0.00 55.69 52.71 1nlj s MET 196 Cb -0.14 -2.29 -0.14 0.00 2.01 0.00 0.00 34.83 34.26 1nlj s MET 196 CO 0.06 0.50 1.56 0.00 -0.01 0.00 0.00 175.02 177.14 1nlj n ALA 197 N 0.68 0.69 -2.61 3.03 0.00 -0.56 -0.25 120.51 121.49 1nlj n ALA 197 Ca -0.13 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1nlj n ALA 197 Cb 0.52 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 1nlj n ALA 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nlj s ARG 198 N 1.24 2.39 -1.47 0.00 3.52 -0.62 -4.52 118.95 119.49 1nlj s ARG 198 Ca 0.82 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1nlj s ARG 198 Cb -0.76 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1nlj s ARG 198 CO 0.42 0.55 0.00 0.09 -0.81 0.00 0.00 175.30 175.55 1nlj n ASN 199 N 0.98 -4.49 -2.96 -2.12 5.03 -1.26 -4.71 115.26 105.73 1nlj n ASN 199 Ca -0.13 0.22 -0.35 0.00 0.87 0.00 0.00 54.58 55.18 1nlj n ASN 199 Cb 0.52 -3.89 0.01 0.00 -1.02 0.00 0.00 39.78 35.40 1nlj n ASN 199 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nlj n LYS 200 N -2.57 3.59 -3.22 3.52 5.02 -1.26 -4.82 118.16 118.43 1nlj n LYS 200 Ca -0.18 -4.24 -0.22 0.00 -2.02 0.00 0.00 58.31 51.66 1nlj n LYS 200 Cb 0.59 -2.30 0.05 0.00 -0.02 0.00 0.00 35.03 33.35 1nlj n LYS 200 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nlj n ASN 201 N -0.38 -6.01 -3.36 4.39 3.02 -1.26 -3.14 115.26 108.53 1nlj n ASN 201 Ca 0.45 -0.37 -0.18 0.00 -0.03 0.00 0.00 54.58 54.45 1nlj n ASN 201 Cb 0.37 -4.74 0.05 0.00 -0.61 0.00 0.00 39.78 34.86 1nlj n ASN 201 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nlj n ASN 202 N -2.48 -6.39 -4.71 6.41 5.15 -1.26 -4.87 115.26 107.11 1nlj n ASN 202 Ca -0.06 -0.73 -0.42 0.00 -0.60 0.00 0.00 54.58 52.77 1nlj n ASN 202 Cb 0.59 -4.64 -0.03 0.00 -0.53 0.00 0.00 39.78 35.17 1nlj n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nlj s ALA 203 N -3.36 3.82 -1.47 5.20 0.00 -1.19 -1.81 121.76 122.95 1nlj s ALA 203 Ca 0.40 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1nlj s ALA 203 Cb -0.08 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1nlj s ALA 203 CO 0.78 -0.99 0.00 0.00 0.00 0.00 0.00 175.76 175.55 1nlj n GLY 205 N -0.76 -0.47 0.53 0.00 0.00 -0.75 -1.93 105.19 101.82 1nlj n GLY 205 Ca -0.14 -0.01 0.35 0.00 0.00 0.00 0.00 46.02 46.22 1nlj n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nlj h ILE 206 N -0.27 0.41 -0.23 -0.61 6.09 -1.69 -0.68 117.51 120.53 1nlj h ILE 206 Ca -0.49 -0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 62.95 1nlj h ILE 206 Cb 1.36 0.41 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 1nlj h ILE 206 CO 0.56 0.00 -0.04 0.00 -3.07 0.00 0.00 178.15 175.61 1nlj n ALA 207 N -2.77 3.25 0.29 0.18 0.00 -1.26 -4.45 120.51 115.76 1nlj n ALA 207 Ca 0.25 -2.63 0.12 0.00 0.00 0.00 0.00 53.44 51.18 1nlj n ALA 207 Cb 1.24 -0.65 0.05 0.00 0.00 0.00 0.00 19.45 20.09 1nlj n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nlj n ASN 208 N -0.87 0.78 -2.89 0.00 3.02 -0.26 0.61 115.26 115.65 1nlj n ASN 208 Ca 0.24 0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.87 1nlj n ASN 208 Cb 0.88 0.41 0.04 0.00 -0.61 0.00 0.00 39.78 40.50 1nlj n ASN 208 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1nlj n LEU 209 N -2.43 -1.43 -4.84 3.41 7.94 -1.26 -4.66 117.00 113.73 1nlj n LEU 209 Ca 0.01 -4.06 -0.31 0.00 -1.11 0.00 0.00 56.01 50.55 1nlj n LEU 209 Cb 0.50 0.84 -0.05 0.00 0.53 0.00 0.00 43.42 45.25 1nlj n LEU 209 CO 0.39 2.12 -0.21 0.00 -1.11 0.00 0.00 177.39 178.58 1nlj s ALA 210 N -0.47 3.76 0.07 1.96 0.00 -1.26 -3.24 121.76 122.58 1nlj s ALA 210 Ca 0.29 -0.94 -0.27 0.00 0.00 0.00 0.00 51.96 51.04 1nlj s ALA 210 Cb 0.29 -1.61 0.09 0.00 0.00 0.00 0.00 23.12 21.88 1nlj s ALA 210 CO -0.09 0.78 0.89 -1.54 0.00 0.00 0.00 175.76 175.79 1nlj s SER 211 N -2.47 -0.31 0.01 0.00 1.04 -0.16 -1.69 113.70 110.11 1nlj s SER 211 Ca 0.32 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 1nlj s SER 211 Cb -0.12 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 1nlj s SER 211 CO 0.25 -0.75 0.07 0.72 0.98 0.00 0.00 173.24 174.50 1nlj s PHE 212 N -3.24 0.13 0.47 5.02 -0.71 -0.81 -0.94 117.98 117.90 1nlj s PHE 212 Ca 0.07 -0.29 -0.13 0.00 -1.04 0.00 0.00 56.93 55.54 1nlj s PHE 212 Cb -0.01 -0.10 -0.07 0.00 -1.21 0.00 0.00 43.02 41.63 1nlj s PHE 212 CO -0.05 -0.25 0.88 -1.25 -1.34 0.00 0.00 175.22 173.21 1nlj s PRO 213 N -1.40 3.83 0.03 1.99 0.04 -1.26 -1.49 135.00 136.73 1nlj s PRO 213 Ca -0.15 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 61.54 1nlj s PRO 213 Cb -0.08 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1nlj s PRO 213 CO 0.01 -0.18 0.24 0.15 0.04 0.00 0.00 177.00 177.26 1nlj s LYS 214 N -4.07 3.51 0.00 4.56 1.02 0.11 -4.88 119.74 120.00 1nlj s LYS 214 Ca 0.55 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1nlj s LYS 214 Cb -0.10 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1nlj s LYS 214 CO 0.33 0.63 0.00 -0.12 -0.92 0.00 0.00 175.35 175.27