#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u19 h ASN 2 N 0.00 0.63 -4.33 7.83 2.35 -1.87 -3.44 115.58 116.76 1u19 h ASN 2 Ca 0.00 -0.57 -0.16 0.00 -0.55 0.00 0.00 56.30 55.01 1u19 h ASN 2 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1u19 h ASN 2 CO 0.00 1.09 -0.06 0.61 -1.65 0.00 0.00 177.43 177.42 1u19 n GLY 3 N 0.49 2.70 2.87 2.83 0.00 -1.26 -2.93 105.19 109.89 1u19 n GLY 3 Ca -0.07 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 1u19 n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u19 s THR 4 N -0.60 1.29 0.07 2.61 2.01 0.92 -4.64 115.64 117.29 1u19 s THR 4 Ca 0.11 -1.22 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 1u19 s THR 4 Cb -0.01 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.73 1u19 s THR 4 CO 0.07 -0.26 0.51 -0.70 -0.69 0.00 0.00 174.62 173.55 1u19 s GLU 5 N 1.48 4.06 0.49 4.92 2.12 -1.26 -0.41 118.70 130.10 1u19 s GLU 5 Ca -0.01 0.57 0.02 0.00 0.36 0.00 0.00 54.97 55.92 1u19 s GLU 5 Cb -0.18 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1u19 s GLU 5 CO -0.10 0.62 0.01 0.20 -0.54 0.00 0.00 175.26 175.45 1u19 s GLY 6 N -1.24 2.94 0.00 -1.50 0.00 -0.64 -4.95 107.32 101.92 1u19 s GLY 6 Ca 0.29 -0.69 0.24 0.00 0.00 0.00 0.00 44.72 44.56 1u19 s GLY 6 CO 0.17 -2.17 1.78 -1.55 0.00 0.00 0.00 173.10 171.33 1u19 n PRO 7 N -1.21 0.08 0.00 2.90 -0.04 -1.26 -3.34 135.00 132.13 1u19 n PRO 7 Ca -0.17 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1u19 n PRO 7 Cb 0.67 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1u19 n PRO 7 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1u19 n ASN 8 N -1.45 0.09 -0.66 3.54 4.05 -1.26 -5.11 115.26 114.47 1u19 n ASN 8 Ca 0.07 -0.49 0.00 0.00 0.45 0.00 0.00 54.58 54.61 1u19 n ASN 8 Cb 0.26 1.00 0.00 0.00 1.23 0.00 0.00 39.78 42.27 1u19 n ASN 8 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1u19 n PHE 9 N -1.00 -0.52 -3.16 1.20 -1.74 -1.21 -4.79 117.46 106.23 1u19 n PHE 9 Ca 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.92 1u19 n PHE 9 Cb 0.00 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 1u19 n PHE 9 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1u19 s TYR 10 N -5.87 -1.72 -0.25 2.97 5.04 -1.26 -1.63 117.35 114.63 1u19 s TYR 10 Ca 0.00 0.84 -0.28 0.00 -2.44 0.00 0.00 57.07 55.20 1u19 s TYR 10 Cb 0.00 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.62 1u19 s TYR 10 CO 0.00 -1.04 0.98 0.08 -1.34 0.00 0.00 175.55 174.23 1u19 s VAL 11 N 2.62 4.70 -0.27 3.14 1.01 0.45 -4.87 120.40 127.17 1u19 s VAL 11 Ca 0.13 1.82 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 1u19 s VAL 11 Cb -0.08 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.88 1u19 s VAL 11 CO -0.22 -0.21 2.52 -0.81 0.00 0.00 0.00 175.10 176.39 1u19 n PRO 12 N 6.33 1.62 -3.77 2.72 -0.04 -1.26 -0.05 135.00 140.55 1u19 n PRO 12 Ca 0.10 -0.91 -0.13 0.00 -0.04 0.00 0.00 63.50 62.52 1u19 n PRO 12 Cb 0.47 -2.01 -0.12 0.00 -0.04 0.00 0.00 33.50 31.80 1u19 n PRO 12 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1u19 s PHE 13 N 2.03 -0.31 0.30 0.54 5.36 -1.26 -3.84 117.98 120.80 1u19 s PHE 13 Ca 0.45 0.76 -0.27 0.00 -0.96 0.00 0.00 56.93 56.91 1u19 s PHE 13 Cb 0.19 0.10 -0.09 0.00 -0.34 0.00 0.00 43.02 42.88 1u19 s PHE 13 CO -0.01 -0.17 0.99 0.45 -1.46 0.00 0.00 175.22 175.02 1u19 s SER 14 N 0.38 7.32 -0.43 6.13 0.15 -1.15 -2.56 113.70 123.54 1u19 s SER 14 Ca -0.02 1.99 0.05 0.00 0.70 0.00 0.00 55.95 58.67 1u19 s SER 14 Cb -0.04 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.36 1u19 s SER 14 CO -0.02 -0.09 1.90 -3.20 1.20 0.00 0.00 173.24 173.03 1u19 n ASN 15 N 0.84 3.93 -0.34 5.45 5.15 -1.26 -4.44 115.26 124.59 1u19 n ASN 15 Ca 0.01 -3.53 0.01 0.00 -0.60 0.00 0.00 54.58 50.47 1u19 n ASN 15 Cb 0.48 -0.82 0.15 0.00 -0.53 0.00 0.00 39.78 39.06 1u19 n ASN 15 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1u19 h LYS 16 N 1.27 1.06 -0.01 1.20 3.64 -1.92 0.10 116.57 121.91 1u19 h LYS 16 Ca 0.58 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1u19 h LYS 16 Cb 2.78 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 34.36 1u19 h LYS 16 CO 1.04 0.70 -0.02 0.25 -2.27 0.00 0.00 179.45 179.15 1u19 n THR 17 N -4.55 0.00 -1.12 1.00 -2.24 -1.26 -4.93 114.28 101.17 1u19 n THR 17 Ca 0.14 -0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1u19 n THR 17 Cb 0.17 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1u19 n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u19 n GLY 18 N 1.15 0.55 0.12 3.38 0.00 0.02 -4.89 105.19 105.53 1u19 n GLY 18 Ca 0.19 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1u19 n GLY 18 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u19 n VAL 19 N -2.42 0.00 -2.69 1.61 3.14 -1.26 -4.90 118.33 111.81 1u19 n VAL 19 Ca -0.04 -0.06 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 1u19 n VAL 19 Cb 0.37 0.16 -0.06 0.00 -1.06 0.00 0.00 33.84 33.25 1u19 n VAL 19 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1u19 s VAL 20 N -2.68 4.00 -0.08 1.55 1.01 -1.26 -4.97 120.40 117.97 1u19 s VAL 20 Ca 0.21 1.72 -0.13 0.00 0.00 0.00 0.00 61.98 63.78 1u19 s VAL 20 Cb 0.19 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1u19 s VAL 20 CO 0.56 0.20 0.32 -0.13 0.00 0.00 0.00 175.10 176.05 1u19 s ARG 21 N -1.94 0.51 0.01 2.72 0.52 -1.26 -5.07 118.95 114.44 1u19 s ARG 21 Ca 0.50 0.17 -0.36 0.00 -0.52 0.00 0.00 55.73 55.52 1u19 s ARG 21 Cb -0.22 0.24 -0.18 0.00 0.52 0.00 0.00 34.95 35.31 1u19 s ARG 21 CO 0.28 -0.11 0.94 0.45 0.02 0.00 0.00 175.30 176.89 1u19 n SER 22 N 2.19 -0.05 0.00 0.23 2.88 -1.26 -4.74 113.62 112.86 1u19 n SER 22 Ca -0.17 1.04 0.08 0.00 -1.33 0.00 0.00 58.87 58.50 1u19 n SER 22 Cb 0.57 -0.83 0.50 0.00 -0.75 0.00 0.00 64.21 63.70 1u19 n SER 22 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1u19 n PRO 23 N 1.33 0.55 0.00 -1.46 -0.04 -1.26 -1.03 135.00 133.09 1u19 n PRO 23 Ca 0.18 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 1u19 n PRO 23 Cb 0.08 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 1u19 n PRO 23 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1u19 n PHE 24 N -0.98 0.00 -0.01 0.54 3.72 -1.26 0.92 117.46 120.39 1u19 n PHE 24 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1u19 n PHE 24 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1u19 n PHE 24 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1u19 n GLU 25 N -0.73 4.06 -3.58 -1.08 1.02 -0.20 -4.54 120.64 115.58 1u19 n GLU 25 Ca 0.06 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 1u19 n GLU 25 Cb 0.35 -0.30 -0.04 0.00 -0.02 0.00 0.00 31.44 31.43 1u19 n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u19 s ALA 26 N -0.58 -1.97 0.48 0.62 0.00 -0.90 -4.99 121.76 114.43 1u19 s ALA 26 Ca 0.00 1.55 -0.20 0.00 0.00 0.00 0.00 51.96 53.31 1u19 s ALA 26 Cb 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 23.12 22.43 1u19 s ALA 26 CO 0.00 -0.40 0.45 -2.30 0.00 0.00 0.00 175.76 173.51 1u19 n PRO 27 N 0.42 0.48 -1.17 0.00 -0.02 -1.26 -4.57 135.00 128.88 1u19 n PRO 27 Ca -0.07 0.18 -0.17 0.00 -2.02 0.00 0.00 63.50 61.42 1u19 n PRO 27 Cb 0.59 -1.51 0.15 0.00 -0.02 0.00 0.00 33.50 32.71 1u19 n PRO 27 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1u19 n GLN 28 N 0.49 2.33 0.21 -0.52 1.13 -0.62 -4.67 117.38 115.72 1u19 n GLN 28 Ca 0.11 -3.32 0.14 0.00 -1.94 0.00 0.00 57.00 51.99 1u19 n GLN 28 Cb 0.43 -2.04 0.71 0.00 0.11 0.00 0.00 30.24 29.45 1u19 n GLN 28 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1u19 h TYR 29 N 1.35 0.00 -0.03 1.08 0.05 -1.83 0.12 116.97 117.71 1u19 h TYR 29 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 1u19 h TYR 29 Cb 1.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.48 1u19 h TYR 29 CO 1.20 0.00 0.00 2.48 -1.05 0.00 0.00 178.16 180.79 1u19 n TYR 30 N -2.52 0.04 -0.10 4.88 0.18 -1.26 -3.06 117.16 115.32 1u19 n TYR 30 Ca -0.01 -0.02 -0.12 0.00 1.88 0.00 0.00 57.90 59.63 1u19 n TYR 30 Cb 0.12 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.93 1u19 n TYR 30 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1u19 n LEU 31 N -0.52 0.87 -3.56 -3.48 4.77 0.41 -5.03 117.00 110.48 1u19 n LEU 31 Ca 0.17 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 1u19 n LEU 31 Cb 0.15 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1u19 n LEU 31 CO 0.13 0.61 0.47 0.00 -1.33 0.00 0.00 177.39 177.27 1u19 s ALA 32 N -2.51 -1.54 0.44 -1.18 0.00 -1.17 -4.88 121.76 110.92 1u19 s ALA 32 Ca -0.16 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1u19 s ALA 32 Cb 0.07 0.81 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 1u19 s ALA 32 CO 0.77 -0.84 1.45 0.39 0.00 0.00 0.00 175.76 177.53 1u19 n GLU 33 N -0.39 2.36 0.18 0.00 -0.58 -1.26 -4.42 120.64 116.53 1u19 n GLU 33 Ca -0.12 0.84 0.10 0.00 -0.42 0.00 0.00 57.16 57.56 1u19 n GLU 33 Cb 0.63 -2.65 0.63 0.00 -0.57 0.00 0.00 31.44 29.49 1u19 n GLU 33 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1u19 h PRO 34 N 2.44 0.04 0.00 3.49 0.11 -1.97 -0.34 132.00 135.77 1u19 h PRO 34 Ca -0.51 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1u19 h PRO 34 Cb 1.26 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1u19 h PRO 34 CO 0.62 0.03 -0.26 0.11 -0.21 0.00 0.00 178.00 178.28 1u19 h TRP 35 N 0.04 0.00 0.00 0.65 5.08 -1.99 -1.90 115.95 117.83 1u19 h TRP 35 Ca 0.07 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.98 1u19 h TRP 35 Cb 0.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.37 1u19 h TRP 35 CO -0.00 0.26 -0.26 1.96 -1.28 0.00 0.00 178.44 179.12 1u19 h GLN 36 N 0.00 0.00 0.05 0.12 4.20 -1.41 -0.25 115.11 117.82 1u19 h GLN 36 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 1u19 h GLN 36 Cb 0.70 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1u19 h GLN 36 CO 0.03 0.26 -1.17 0.74 -0.67 0.00 0.00 178.83 178.03 1u19 h PHE 37 N 0.00 0.19 0.00 2.96 -1.00 -1.32 -2.50 116.94 115.27 1u19 h PHE 37 Ca -0.00 -0.14 -0.09 0.00 2.81 0.00 0.00 57.97 60.55 1u19 h PHE 37 Cb 0.79 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 1u19 h PHE 37 CO 0.00 1.12 -0.41 0.77 -1.61 0.00 0.00 178.31 178.18 1u19 h SER 38 N 0.03 0.00 0.25 2.17 0.02 -1.05 -0.59 113.55 114.38 1u19 h SER 38 Ca -0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1u19 h SER 38 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1u19 h SER 38 CO 0.15 0.41 -0.12 -0.03 -1.14 0.00 0.00 176.83 176.10 1u19 h MET 39 N 0.00 -0.32 -0.95 3.45 -1.53 -0.94 -0.85 114.93 113.79 1u19 h MET 39 Ca -0.00 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.33 1u19 h MET 39 Cb 0.75 0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 31.81 1u19 h MET 39 CO 0.05 -0.02 0.61 -0.07 0.14 0.00 0.00 176.91 177.62 1u19 h LEU 40 N -0.62 1.01 -0.70 3.39 3.38 -1.17 -1.52 115.31 119.07 1u19 h LEU 40 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1u19 h LEU 40 Cb 0.44 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1u19 h LEU 40 CO 0.06 0.67 0.31 0.00 0.09 0.00 0.00 178.44 179.57 1u19 h ALA 41 N 1.41 0.91 -0.47 1.53 0.00 -1.04 -2.14 119.26 119.46 1u19 h ALA 41 Ca 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1u19 h ALA 41 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1u19 h ALA 41 CO -0.14 0.50 0.22 0.00 0.00 0.00 0.00 179.25 179.82 1u19 h ALA 42 N 1.15 0.60 -0.36 0.00 0.00 -0.18 -1.55 119.26 118.92 1u19 h ALA 42 Ca 0.24 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1u19 h ALA 42 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1u19 h ALA 42 CO -0.03 0.17 0.15 -0.92 0.00 0.00 0.00 179.25 178.63 1u19 h TYR 43 N 0.61 0.28 -0.33 0.00 3.20 -1.16 -1.77 116.97 117.80 1u19 h TYR 43 Ca 0.16 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 1u19 h TYR 43 Cb 0.13 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1u19 h TYR 43 CO -0.01 0.13 -0.24 0.52 -1.64 0.00 0.00 178.16 176.93 1u19 h MET 44 N 0.32 0.65 -0.27 1.82 2.86 -1.24 -0.93 114.93 118.14 1u19 h MET 44 Ca 0.16 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1u19 h MET 44 Cb 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1u19 h MET 44 CO -0.14 0.83 0.17 0.35 1.06 0.00 0.00 176.91 179.19 1u19 h PHE 45 N 0.57 0.33 -0.48 -0.22 3.57 -0.92 0.88 116.94 120.67 1u19 h PHE 45 Ca 0.08 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1u19 h PHE 45 Cb 0.72 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1u19 h PHE 45 CO 0.03 0.20 0.31 -0.07 -2.23 0.00 0.00 178.31 176.56 1u19 h LEU 46 N 0.35 0.53 -1.06 0.59 3.38 -1.08 0.16 115.31 118.18 1u19 h LEU 46 Ca 0.10 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1u19 h LEU 46 Cb -0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1u19 h LEU 46 CO -0.03 0.38 0.63 -0.07 0.09 0.00 0.00 178.44 179.45 1u19 h LEU 47 N 0.63 1.03 -0.26 1.67 3.38 -0.61 -0.99 115.31 120.17 1u19 h LEU 47 Ca 0.18 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 1u19 h LEU 47 Cb -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1u19 h LEU 47 CO -0.05 0.69 -0.59 0.40 0.09 0.00 0.00 178.44 178.98 1u19 h ILE 48 N 1.18 1.27 0.00 1.22 2.04 -0.21 0.39 117.51 123.41 1u19 h ILE 48 Ca 0.39 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1u19 h ILE 48 Cb 0.06 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1u19 h ILE 48 CO -0.13 0.58 0.00 0.23 0.00 0.00 0.00 178.15 178.83 1u19 n MET 49 N -4.00 0.03 -0.06 2.37 2.81 -0.01 -2.63 117.12 115.62 1u19 n MET 49 Ca -0.05 0.08 -0.13 0.00 -1.81 0.00 0.00 57.70 55.79 1u19 n MET 49 Cb 0.65 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.62 1u19 n MET 49 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1u19 n LEU 50 N -1.48 1.35 0.17 4.03 0.00 -0.43 -4.43 117.00 116.21 1u19 n LEU 50 Ca 0.06 0.22 0.19 0.00 0.00 0.00 0.00 56.01 56.48 1u19 n LEU 50 Cb 0.28 -0.53 0.79 0.00 0.00 0.00 0.00 43.42 43.96 1u19 n LEU 50 CO 0.22 0.01 1.16 1.23 0.00 0.00 0.00 177.39 180.02 1u19 h GLY 51 N -0.60 0.00 0.07 -3.96 0.00 -1.03 -1.87 103.07 95.69 1u19 h GLY 51 Ca -0.25 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1u19 h GLY 51 CO -0.15 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.60 1u19 h PHE 52 N 0.00 -0.09 -0.83 5.60 3.57 -1.69 -2.73 116.94 120.77 1u19 h PHE 52 Ca 0.13 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1u19 h PHE 52 Cb 0.83 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 1u19 h PHE 52 CO 0.00 -0.05 0.54 -1.00 -2.23 0.00 0.00 178.31 175.57 1u19 h PRO 53 N -0.80 0.80 -0.10 6.41 0.13 -1.74 -0.88 132.00 135.83 1u19 h PRO 53 Ca -0.01 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1u19 h PRO 53 Cb 0.07 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 1u19 h PRO 53 CO 0.02 0.53 -0.51 0.97 -0.23 0.00 0.00 178.00 178.78 1u19 h ILE 54 N 0.82 1.35 0.00 -3.56 2.10 -1.47 0.87 117.51 117.62 1u19 h ILE 54 Ca 0.38 -1.75 -0.12 0.00 1.08 0.00 0.00 64.86 64.45 1u19 h ILE 54 Cb 0.38 1.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.92 1u19 h ILE 54 CO -0.15 0.52 -1.38 0.59 -1.08 0.00 0.00 178.15 176.65 1u19 n ASN 55 N -3.95 0.77 -0.03 2.19 3.02 -1.03 -2.89 115.26 113.34 1u19 n ASN 55 Ca -0.02 0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 54.72 1u19 n ASN 55 Cb 0.55 0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 39.99 1u19 n ASN 55 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1u19 h PHE 56 N 0.00 0.12 -0.73 3.10 3.57 -1.11 -1.86 116.94 120.02 1u19 h PHE 56 Ca -0.13 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.36 1u19 h PHE 56 Cb 1.42 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.10 1u19 h PHE 56 CO 0.00 0.74 0.48 1.25 -2.23 0.00 0.00 178.31 178.56 1u19 h LEU 57 N -0.54 0.77 0.57 0.59 7.12 -0.95 0.12 115.31 122.98 1u19 h LEU 57 Ca -0.01 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1u19 h LEU 57 Cb 0.75 -0.18 0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1u19 h LEU 57 CO 0.02 0.53 -0.28 0.74 -0.13 0.00 0.00 178.44 179.32 1u19 h THR 58 N 0.89 0.42 -0.53 1.05 2.02 -1.49 -1.51 112.91 113.77 1u19 h THR 58 Ca 0.29 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 67.50 1u19 h THR 58 Cb 0.05 0.46 -0.10 0.00 -1.74 0.00 0.00 68.15 66.82 1u19 h THR 58 CO -0.08 0.01 -0.09 0.25 0.37 0.00 0.00 175.52 175.98 1u19 h LEU 59 N -0.82 -0.41 -0.68 2.58 5.85 -0.69 -2.50 115.31 118.63 1u19 h LEU 59 Ca -0.08 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1u19 h LEU 59 Cb 0.61 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1u19 h LEU 59 CO 0.13 -0.15 0.23 0.22 -0.34 0.00 0.00 178.44 178.53 1u19 h TYR 60 N 0.03 1.07 0.19 1.25 5.03 -0.65 -2.67 116.97 121.23 1u19 h TYR 60 Ca 0.26 -0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 1u19 h TYR 60 Cb 0.40 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1u19 h TYR 60 CO -0.41 0.85 -0.09 0.28 -1.32 0.00 0.00 178.16 177.47 1u19 h VAL 61 N 0.98 0.89 -0.12 1.81 2.07 -0.88 -0.91 116.25 120.08 1u19 h VAL 61 Ca 0.22 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1u19 h VAL 61 Cb 0.27 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1u19 h VAL 61 CO -0.01 0.10 -0.47 0.74 0.02 0.00 0.00 177.57 177.95 1u19 h THR 62 N -0.48 0.09 -0.48 2.57 2.02 -1.46 0.78 112.91 115.96 1u19 h THR 62 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 1u19 h THR 62 Cb 0.36 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 1u19 h THR 62 CO 0.04 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.71 1u19 h VAL 63 N -0.54 0.88 -0.65 3.16 2.07 -1.52 -2.69 116.25 116.96 1u19 h VAL 63 Ca 0.06 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1u19 h VAL 63 Cb 0.65 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1u19 h VAL 63 CO -0.41 0.07 0.18 -0.61 0.02 0.00 0.00 177.57 176.82 1u19 h GLN 64 N 0.38 1.03 -4.78 1.57 4.15 0.20 -3.39 115.11 114.27 1u19 h GLN 64 Ca 0.22 -0.24 -0.69 0.00 0.77 0.00 0.00 58.65 58.71 1u19 h GLN 64 Cb 0.20 -0.14 -0.19 0.00 0.21 0.00 0.00 27.48 27.56 1u19 h GLN 64 CO -0.20 0.91 0.19 -1.01 -1.93 0.00 0.00 178.83 176.79 1u19 s HIS 65 N -5.35 2.97 0.63 3.99 3.76 0.26 -0.86 115.29 120.69 1u19 s HIS 65 Ca -0.12 -0.94 0.21 0.00 -0.15 0.00 0.00 55.06 54.06 1u19 s HIS 65 Cb 0.14 -4.06 0.97 0.00 1.11 0.00 0.00 32.58 30.74 1u19 s HIS 65 CO 0.83 -1.35 1.49 -0.22 -0.85 0.00 0.00 174.74 174.65 1u19 h LYS 66 N 9.21 0.00 0.00 1.40 3.64 -1.13 -0.24 116.57 129.45 1u19 h LYS 66 Ca -0.28 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.91 1u19 h LYS 66 Cb 1.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1u19 h LYS 66 CO 1.11 0.00 -1.27 1.57 -2.27 0.00 0.00 179.45 178.58 1u19 h LYS 67 N 0.00 0.00 -5.41 1.90 2.10 -1.88 -3.41 116.57 109.87 1u19 h LYS 67 Ca 0.21 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.62 1u19 h LYS 67 Cb 1.84 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.14 1u19 h LYS 67 CO -0.00 0.48 0.74 -0.51 -2.00 0.00 0.00 179.45 178.15 1u19 s LEU 68 N -6.11 2.89 0.00 7.07 1.43 -0.10 -4.27 118.68 119.59 1u19 s LEU 68 Ca -0.02 -1.29 0.10 0.00 -1.03 0.00 0.00 54.13 51.89 1u19 s LEU 68 Cb 0.08 -2.59 0.16 0.00 0.03 0.00 0.00 46.19 43.88 1u19 s LEU 68 CO 0.80 -3.49 0.99 0.54 0.23 0.00 0.00 176.35 175.43 1u19 n ARG 69 N 8.35 0.00 -1.98 1.70 5.12 -1.26 -4.84 116.66 123.75 1u19 n ARG 69 Ca 0.43 -1.23 -0.29 0.00 -1.93 0.00 0.00 57.85 54.84 1u19 n ARG 69 Cb 0.46 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 31.89 1u19 n ARG 69 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1u19 s THR 70 N 0.00 2.04 0.12 0.55 -4.23 -1.26 -4.78 115.64 108.07 1u19 s THR 70 Ca 0.13 -0.06 -0.27 0.00 -1.18 0.00 0.00 61.69 60.31 1u19 s THR 70 Cb 0.15 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.94 1u19 s THR 70 CO -0.06 0.00 1.63 -0.65 -0.54 0.00 0.00 174.62 175.00 1u19 h PRO 71 N -1.20 -0.44 -0.73 3.99 0.11 -1.91 -0.73 132.00 131.09 1u19 h PRO 71 Ca -0.45 0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.86 1u19 h PRO 71 Cb 1.29 0.10 -0.12 0.00 0.11 0.00 0.00 31.00 32.38 1u19 h PRO 71 CO 0.54 -0.30 0.03 1.25 -0.21 0.00 0.00 178.00 179.31 1u19 h LEU 72 N -0.46 -0.28 -1.92 2.35 5.85 -1.99 1.30 115.31 120.16 1u19 h LEU 72 Ca 0.04 0.18 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1u19 h LEU 72 Cb 0.51 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1u19 h LEU 72 CO -0.19 -0.15 0.20 0.78 -0.34 0.00 0.00 178.44 178.74 1u19 h ASN 73 N 0.13 0.09 -0.06 1.25 2.35 -1.58 -1.40 115.58 116.34 1u19 h ASN 73 Ca 0.40 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.00 1u19 h ASN 73 Cb 0.70 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.06 1u19 h ASN 73 CO -0.62 0.06 -0.56 1.88 -1.65 0.00 0.00 177.43 176.54 1u19 h TYR 74 N 0.10 0.69 -0.12 1.19 0.05 0.30 -2.96 116.97 116.21 1u19 h TYR 74 Ca 0.13 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 1u19 h TYR 74 Cb 0.39 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1u19 h TYR 74 CO -0.00 1.12 0.01 0.82 -1.05 0.00 0.00 178.16 179.06 1u19 h ILE 75 N 0.06 1.23 0.00 -2.88 1.08 -0.14 -2.80 117.51 114.05 1u19 h ILE 75 Ca -0.05 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1u19 h ILE 75 Cb 1.22 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.45 1u19 h ILE 75 CO 0.11 0.21 0.00 -0.07 -0.69 0.00 0.00 178.15 177.71 1u19 h LEU 76 N -0.03 0.00 -0.06 1.44 4.07 -1.38 -0.01 115.31 119.33 1u19 h LEU 76 Ca 0.04 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.74 1u19 h LEU 76 Cb 0.31 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.07 1u19 h LEU 76 CO 0.00 0.00 -0.95 0.25 -1.08 0.00 0.00 178.44 176.66 1u19 h LEU 77 N 0.00 0.91 -0.01 1.67 5.85 -1.38 -0.28 115.31 122.07 1u19 h LEU 77 Ca 0.00 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.04 1u19 h LEU 77 Cb 0.35 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1u19 h LEU 77 CO 0.00 1.48 -0.13 -1.13 -0.34 0.00 0.00 178.44 178.33 1u19 h ASN 78 N 0.44 -0.40 -0.83 1.25 -1.24 -0.84 0.64 115.58 114.61 1u19 h ASN 78 Ca -0.10 0.05 0.21 0.00 0.71 0.00 0.00 56.30 57.16 1u19 h ASN 78 Cb 1.60 0.15 -0.14 0.00 0.73 0.00 0.00 38.32 40.66 1u19 h ASN 78 CO 0.19 -0.12 0.14 -0.07 -1.29 0.00 0.00 177.43 176.28 1u19 h LEU 79 N -0.16 -0.14 -1.12 0.34 4.07 -1.11 1.19 115.31 118.39 1u19 h LEU 79 Ca 0.00 0.20 0.07 0.00 0.08 0.00 0.00 57.88 58.23 1u19 h LEU 79 Cb 0.17 0.30 -0.06 0.00 1.08 0.00 0.00 40.66 42.15 1u19 h LEU 79 CO -0.09 -0.16 0.60 0.00 -1.08 0.00 0.00 178.44 177.71 1u19 h ALA 80 N 1.75 1.50 0.04 1.53 0.00 0.88 0.40 119.26 125.36 1u19 h ALA 80 Ca 0.49 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 55.14 1u19 h ALA 80 Cb 0.94 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1u19 h ALA 80 CO -0.66 0.34 -1.04 0.28 0.00 0.00 0.00 179.25 178.18 1u19 h VAL 81 N 1.04 1.41 -0.14 0.00 2.07 0.69 -2.38 116.25 118.94 1u19 h VAL 81 Ca 0.41 -2.57 -0.12 0.00 0.82 0.00 0.00 66.70 65.24 1u19 h VAL 81 Cb 0.23 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1u19 h VAL 81 CO -0.16 0.77 -0.45 0.00 0.02 0.00 0.00 177.57 177.75 1u19 h ALA 82 N 0.66 0.98 -0.26 1.67 0.00 0.50 -2.93 119.26 119.88 1u19 h ALA 82 Ca -0.10 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1u19 h ALA 82 Cb 1.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1u19 h ALA 82 CO 0.18 0.63 -0.43 -0.44 0.00 0.00 0.00 179.25 179.19 1u19 h ASP 83 N 0.27 0.69 0.51 0.00 3.32 -0.20 -2.14 116.42 118.88 1u19 h ASP 83 Ca 0.02 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1u19 h ASP 83 Cb 0.90 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1u19 h ASP 83 CO 0.07 1.03 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.37 1u19 h LEU 84 N 0.52 0.00 -0.01 1.55 3.38 -1.28 -1.97 115.31 117.50 1u19 h LEU 84 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1u19 h LEU 84 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1u19 h LEU 84 CO 0.09 0.18 -0.26 -0.26 0.09 0.00 0.00 178.44 178.29 1u19 h PHE 85 N 0.00 0.28 -0.08 1.13 0.04 -1.27 -2.16 116.94 114.88 1u19 h PHE 85 Ca -0.00 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.66 1u19 h PHE 85 Cb 0.49 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 1u19 h PHE 85 CO 0.00 0.93 -0.43 0.52 -0.60 0.00 0.00 178.31 178.73 1u19 h MET 86 N -0.45 -0.51 0.03 1.51 2.86 -1.14 2.44 114.93 119.67 1u19 h MET 86 Ca -0.03 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1u19 h MET 86 Cb 0.99 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.71 1u19 h MET 86 CO 0.05 -0.34 -0.42 0.28 1.06 0.00 0.00 176.91 177.55 1u19 h VAL 87 N -0.53 0.16 0.16 -2.22 2.07 -1.43 0.47 116.25 114.94 1u19 h VAL 87 Ca 0.06 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.31 1u19 h VAL 87 Cb 0.64 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1u19 h VAL 87 CO -0.37 0.00 -1.33 -0.26 0.02 0.00 0.00 177.57 175.64 1u19 h PHE 88 N -0.59 0.61 -0.23 1.57 0.04 -1.19 -2.52 116.94 114.63 1u19 h PHE 88 Ca 0.04 -0.45 -0.16 0.00 2.80 0.00 0.00 57.97 60.21 1u19 h PHE 88 Cb 0.66 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1u19 h PHE 88 CO -0.41 1.51 -0.49 0.78 -0.60 0.00 0.00 178.31 179.10 1u19 h GLY 89 N 0.07 0.68 0.00 -1.45 0.00 0.41 -3.38 103.07 99.40 1u19 h GLY 89 Ca -0.26 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.32 1u19 h GLY 89 CO 0.14 0.68 -0.97 0.61 0.00 0.00 0.00 176.54 177.00 1u19 n GLY 90 N 0.18 0.00 0.34 4.60 0.00 0.12 -4.56 105.19 105.87 1u19 n GLY 90 Ca -0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.15 1u19 n GLY 90 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u19 h PHE 91 N 0.00 0.00 -0.66 1.61 0.04 -0.17 -0.35 116.94 117.42 1u19 h PHE 91 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1u19 h PHE 91 Cb 0.97 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 1u19 h PHE 91 CO 0.00 0.00 0.11 1.79 -0.60 0.00 0.00 178.31 179.61 1u19 h THR 92 N 0.00 1.26 -0.13 -1.55 1.35 -1.64 -1.63 112.91 110.58 1u19 h THR 92 Ca 0.16 -1.04 -0.19 0.00 -0.55 0.00 0.00 66.41 64.79 1u19 h THR 92 Cb 0.65 0.65 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1u19 h THR 92 CO -0.00 0.39 -0.70 0.74 -0.25 0.00 0.00 175.52 175.70 1u19 h THR 93 N 1.02 1.34 0.00 6.82 2.02 -1.37 -2.52 112.91 120.22 1u19 h THR 93 Ca 0.20 -2.01 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 1u19 h THR 93 Cb 0.44 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1u19 h THR 93 CO 0.01 0.62 -0.17 0.00 0.37 0.00 0.00 175.52 176.35 1u19 h THR 94 N 0.39 0.61 0.01 3.16 1.03 -1.10 0.27 112.91 117.28 1u19 h THR 94 Ca -0.03 -0.78 -0.00 0.00 -0.01 0.00 0.00 66.41 65.60 1u19 h THR 94 Cb 1.28 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 1u19 h THR 94 CO 0.13 0.17 -0.00 0.25 -0.01 0.00 0.00 175.52 176.05 1u19 h LEU 95 N 0.00 -0.01 -0.35 0.00 5.85 -1.20 -2.67 115.31 116.93 1u19 h LEU 95 Ca -0.00 -0.81 0.03 0.00 0.84 0.00 0.00 57.88 57.95 1u19 h LEU 95 Cb 0.49 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1u19 h LEU 95 CO 0.02 0.83 0.15 0.22 -0.34 0.00 0.00 178.44 179.32 1u19 h TYR 96 N -0.87 0.27 0.10 1.25 3.20 -1.24 -0.04 116.97 119.64 1u19 h TYR 96 Ca -0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1u19 h TYR 96 Cb 0.82 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1u19 h TYR 96 CO 0.22 0.13 -0.16 1.15 -1.64 0.00 0.00 178.16 177.86 1u19 h THR 97 N 0.32 0.64 -0.82 1.81 2.02 -1.05 -2.04 112.91 113.79 1u19 h THR 97 Ca 0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.36 1u19 h THR 97 Cb 0.10 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1u19 h THR 97 CO -0.13 0.00 0.54 0.28 0.37 0.00 0.00 175.52 176.58 1u19 h SER 98 N -0.31 0.89 0.26 4.18 0.02 -1.24 0.59 113.55 117.94 1u19 h SER 98 Ca 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1u19 h SER 98 Cb 0.32 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1u19 h SER 98 CO -0.08 0.62 0.00 -0.07 -1.14 0.00 0.00 176.83 176.16 1u19 h LEU 99 N 1.04 0.00 0.00 5.07 3.38 -0.32 -2.86 115.31 121.62 1u19 h LEU 99 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1u19 h LEU 99 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1u19 h LEU 99 CO -0.09 0.00 -1.04 1.41 0.09 0.00 0.00 178.44 178.81 1u19 n HIS 100 N -3.07 0.00 -0.04 1.13 8.25 0.22 -5.02 115.22 116.70 1u19 n HIS 100 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1u19 n HIS 100 Cb 0.13 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1u19 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u19 n GLY 101 N 1.80 0.72 3.80 -1.41 0.00 0.18 -4.56 105.19 105.72 1u19 n GLY 101 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1u19 n GLY 101 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u19 s TYR 102 N -2.28 -0.07 -1.12 1.61 1.13 -1.11 -1.59 117.35 113.92 1u19 s TYR 102 Ca 0.00 -0.33 -0.22 0.00 -1.41 0.00 0.00 57.07 55.12 1u19 s TYR 102 Cb 0.00 0.69 0.01 0.00 -1.10 0.00 0.00 41.96 41.56 1u19 s TYR 102 CO 0.00 -1.00 1.71 -0.06 -2.51 0.00 0.00 175.55 173.69 1u19 s PHE 103 N -3.04 2.38 0.46 -3.49 0.08 0.26 -4.56 117.98 110.07 1u19 s PHE 103 Ca 0.14 -0.59 0.13 0.00 0.12 0.00 0.00 56.93 56.73 1u19 s PHE 103 Cb -0.03 -4.48 1.04 0.00 -0.57 0.00 0.00 43.02 38.98 1u19 s PHE 103 CO 0.05 -1.73 2.04 -0.39 -0.10 0.00 0.00 175.22 175.08 1u19 h VAL 104 N 6.39 1.09 -0.17 -0.44 -1.51 -1.85 -1.31 116.25 118.45 1u19 h VAL 104 Ca 0.26 -0.39 -0.06 0.00 -1.23 0.00 0.00 66.70 65.28 1u19 h VAL 104 Cb 0.95 1.11 -0.03 0.00 -2.13 0.00 0.00 31.29 31.19 1u19 h VAL 104 CO 1.36 0.12 0.07 0.49 -1.23 0.00 0.00 177.57 178.39 1u19 n PHE 105 N -4.40 0.57 -1.71 5.19 3.72 -1.26 -5.01 117.46 114.55 1u19 n PHE 105 Ca -0.02 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 1u19 n PHE 105 Cb 0.18 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1u19 n PHE 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u19 n GLY 106 N 0.14 0.65 0.33 1.37 0.00 -0.49 -2.36 105.19 104.82 1u19 n GLY 106 Ca 0.10 -0.87 0.20 0.00 0.00 0.00 0.00 46.02 45.46 1u19 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u19 h PRO 107 N 0.00 0.00 -0.20 1.61 0.13 -1.94 -2.22 132.00 129.38 1u19 h PRO 107 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1u19 h PRO 107 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1u19 h PRO 107 CO 0.00 0.00 -0.09 1.15 -0.23 0.00 0.00 178.00 178.83 1u19 h THR 108 N 0.00 1.31 -0.84 1.56 2.02 -1.98 0.15 112.91 115.12 1u19 h THR 108 Ca 0.01 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1u19 h THR 108 Cb 0.11 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1u19 h THR 108 CO -0.00 0.35 0.50 1.23 0.37 0.00 0.00 175.52 177.97 1u19 h GLY 109 N 0.11 1.23 1.25 2.16 0.00 -1.02 0.17 103.07 106.98 1u19 h GLY 109 Ca 0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1u19 h GLY 109 CO 0.03 0.50 0.21 0.00 0.00 0.00 0.00 176.54 177.27 1u19 h ASN 111 N 0.92 0.79 0.58 0.00 2.35 0.15 -0.34 115.58 120.01 1u19 h ASN 111 Ca 0.21 -0.50 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1u19 h ASN 111 Cb 0.24 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1u19 h ASN 111 CO -0.01 1.13 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.55 1u19 h LEU 112 N 0.46 -0.67 -0.05 1.61 3.38 -0.17 0.20 115.31 120.07 1u19 h LEU 112 Ca 0.03 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1u19 h LEU 112 Cb 0.95 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1u19 h LEU 112 CO 0.09 -0.47 -0.34 -0.08 0.09 0.00 0.00 178.44 177.72 1u19 h GLU 113 N -0.78 -0.44 -0.29 1.13 4.22 -0.26 -2.94 114.58 115.22 1u19 h GLU 113 Ca -0.08 0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 1u19 h GLU 113 Cb 0.60 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1u19 h GLU 113 CO 0.13 -0.30 -0.13 0.78 -2.18 0.00 0.00 179.01 177.31 1u19 h GLY 114 N -0.46 0.65 0.77 1.92 0.00 -0.97 -2.94 103.07 102.04 1u19 h GLY 114 Ca 0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1u19 h GLY 114 CO -0.31 0.52 -0.30 -2.75 0.00 0.00 0.00 176.54 173.71 1u19 h PHE 115 N 0.35 -0.79 -0.73 5.60 3.57 -0.57 -0.13 116.94 124.24 1u19 h PHE 115 Ca 0.07 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1u19 h PHE 115 Cb 0.64 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1u19 h PHE 115 CO 0.06 -0.44 0.23 0.74 -2.23 0.00 0.00 178.31 176.67 1u19 h PHE 116 N -0.68 1.18 -0.08 0.41 0.04 -1.65 2.07 116.94 118.23 1u19 h PHE 116 Ca -0.03 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.57 1u19 h PHE 116 Cb 0.59 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1u19 h PHE 116 CO -0.14 0.93 -0.17 0.00 -0.60 0.00 0.00 178.31 178.32 1u19 h ALA 117 N 1.12 1.57 0.14 2.45 0.00 -1.39 0.27 119.26 123.42 1u19 h ALA 117 Ca 0.24 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1u19 h ALA 117 Cb 0.30 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1u19 h ALA 117 CO -0.01 0.32 -1.21 1.15 0.00 0.00 0.00 179.25 179.50 1u19 h THR 118 N 0.12 1.24 -0.48 0.00 2.02 -0.00 -2.58 112.91 113.22 1u19 h THR 118 Ca 0.02 -2.49 0.05 0.00 0.77 0.00 0.00 66.41 64.77 1u19 h THR 118 Cb 0.38 2.94 -0.05 0.00 -1.74 0.00 0.00 68.15 69.68 1u19 h THR 118 CO 0.03 0.73 0.20 0.25 0.37 0.00 0.00 175.52 177.10 1u19 h LEU 119 N -0.26 0.26 -0.25 2.58 6.46 0.36 -1.88 115.31 122.58 1u19 h LEU 119 Ca -0.24 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1u19 h LEU 119 Cb 1.78 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.70 1u19 h LEU 119 CO 0.12 0.18 0.12 1.23 -0.62 0.00 0.00 178.44 179.48 1u19 h GLY 120 N 0.40 0.38 1.19 3.75 0.00 -0.56 -1.75 103.07 106.49 1u19 h GLY 120 Ca 0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 1u19 h GLY 120 CO -0.19 0.17 -0.19 -1.33 0.00 0.00 0.00 176.54 175.00 1u19 h GLY 121 N 0.27 1.01 1.41 4.60 0.00 -1.31 -2.77 103.07 106.29 1u19 h GLY 121 Ca 0.09 -0.87 -0.17 0.00 0.00 0.00 0.00 47.33 46.37 1u19 h GLY 121 CO -0.01 0.79 -0.60 0.83 0.00 0.00 0.00 176.54 177.55 1u19 h GLU 122 N 0.81 0.61 -0.47 4.80 4.39 -1.36 -1.33 114.58 122.04 1u19 h GLU 122 Ca 0.11 -0.41 0.01 0.00 0.34 0.00 0.00 59.36 59.41 1u19 h GLU 122 Cb 0.75 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1u19 h GLU 122 CO 0.06 1.03 0.31 0.82 -1.16 0.00 0.00 179.01 180.07 1u19 h ILE 123 N 0.46 1.11 -0.29 3.13 2.04 -1.31 0.10 117.51 122.75 1u19 h ILE 123 Ca -0.00 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 1u19 h ILE 123 Cb 1.17 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1u19 h ILE 123 CO 0.12 0.11 -0.34 0.00 0.00 0.00 0.00 178.15 178.04 1u19 h ALA 124 N 1.71 0.86 -0.03 1.87 0.00 -1.14 -0.46 119.26 122.07 1u19 h ALA 124 Ca 0.17 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 1u19 h ALA 124 Cb -0.06 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1u19 h ALA 124 CO -0.04 0.64 -1.00 1.25 0.00 0.00 0.00 179.25 180.10 1u19 h LEU 125 N 0.54 0.93 -0.16 0.00 5.85 -0.08 -2.85 115.31 119.53 1u19 h LEU 125 Ca 0.06 -0.72 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 1u19 h LEU 125 Cb 0.84 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1u19 h LEU 125 CO 0.07 1.52 0.00 -0.50 -0.34 0.00 0.00 178.44 179.19 1u19 h TRP 126 N 0.43 0.31 -0.02 1.25 4.06 -0.77 -2.07 115.95 119.14 1u19 h TRP 126 Ca -0.12 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.79 1u19 h TRP 126 Cb 1.65 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 29.72 1u19 h TRP 126 CO 0.10 0.50 0.10 0.77 -3.56 0.00 0.00 178.44 176.35 1u19 h SER 127 N 0.04 0.00 1.68 -3.49 0.02 -1.14 0.25 113.55 110.91 1u19 h SER 127 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1u19 h SER 127 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1u19 h SER 127 CO 0.01 0.00 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.47 1u19 h LEU 128 N 0.00 0.00 0.12 5.07 3.38 -1.12 -2.56 115.31 120.20 1u19 h LEU 128 Ca 0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 1u19 h LEU 128 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1u19 h LEU 128 CO -0.00 0.16 -1.19 0.58 0.09 0.00 0.00 178.44 178.07 1u19 h VAL 129 N 0.00 1.20 -0.89 1.22 2.07 -0.40 -2.17 116.25 117.27 1u19 h VAL 129 Ca -0.00 -2.44 0.21 0.00 0.82 0.00 0.00 66.70 65.29 1u19 h VAL 129 Cb 1.04 2.87 -0.06 0.00 -1.52 0.00 0.00 31.29 33.61 1u19 h VAL 129 CO 0.02 0.69 0.59 0.58 0.02 0.00 0.00 177.57 179.48 1u19 h VAL 130 N -0.36 0.67 0.20 2.57 2.07 -1.37 0.28 116.25 120.31 1u19 h VAL 130 Ca -0.25 -0.12 -0.32 0.00 0.82 0.00 0.00 66.70 66.83 1u19 h VAL 130 Cb 1.70 0.28 0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1u19 h VAL 130 CO 0.08 0.07 -1.38 -0.07 0.02 0.00 0.00 177.57 176.29 1u19 h LEU 131 N 0.36 0.81 -0.60 2.57 4.07 -1.51 -1.83 115.31 119.18 1u19 h LEU 131 Ca 0.46 -0.82 0.07 0.00 0.08 0.00 0.00 57.88 57.66 1u19 h LEU 131 Cb 1.21 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 42.63 1u19 h LEU 131 CO -0.16 1.64 0.29 0.00 -1.08 0.00 0.00 178.44 179.13 1u19 h ALA 132 N 0.26 0.79 0.16 1.53 0.00 0.06 0.15 119.26 122.21 1u19 h ALA 132 Ca -0.22 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1u19 h ALA 132 Cb 2.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1u19 h ALA 132 CO 0.26 -0.07 -0.08 0.82 0.00 0.00 0.00 179.25 180.18 1u19 h ILE 133 N 0.54 0.00 -1.31 0.00 1.08 -0.66 -1.49 117.51 115.67 1u19 h ILE 133 Ca 0.28 -0.06 0.38 0.00 -0.39 0.00 0.00 64.86 65.08 1u19 h ILE 133 Cb 0.23 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.90 1u19 h ILE 133 CO -0.21 0.00 0.91 -0.08 -0.69 0.00 0.00 178.15 178.07 1u19 h GLU 134 N -0.27 0.10 -0.33 2.37 4.22 -1.27 0.85 114.58 120.25 1u19 h GLU 134 Ca -0.02 -0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.30 1u19 h GLU 134 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1u19 h GLU 134 CO 0.04 0.07 -0.23 -0.09 -2.18 0.00 0.00 179.01 176.62 1u19 h ARG 135 N 0.11 0.75 0.00 1.92 9.65 -0.56 -2.49 114.38 123.75 1u19 h ARG 135 Ca 0.69 -0.36 -0.09 0.00 -1.10 0.00 0.00 59.98 59.12 1u19 h ARG 135 Cb 2.41 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.97 1u19 h ARG 135 CO -0.16 0.97 -0.45 -0.92 2.80 0.00 0.00 179.97 182.21 1u19 h TYR 136 N 0.52 0.00 0.00 2.20 3.20 0.16 -0.43 116.97 122.62 1u19 h TYR 136 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1u19 h TYR 136 Cb 0.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1u19 h TYR 136 CO 0.06 0.45 0.00 0.28 -1.64 0.00 0.00 178.16 177.32 1u19 n VAL 137 N -3.60 0.47 -0.02 1.81 0.31 0.78 -1.07 118.33 117.00 1u19 n VAL 137 Ca -0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1u19 n VAL 137 Cb 0.55 -0.64 -0.06 0.00 -0.91 0.00 0.00 33.84 32.78 1u19 n VAL 137 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1u19 n VAL 138 N -2.01 0.29 -0.03 2.52 0.24 -0.96 -3.69 118.33 114.70 1u19 n VAL 138 Ca 0.06 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 61.90 1u19 n VAL 138 Cb 0.37 -0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 32.30 1u19 n VAL 138 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1u19 n VAL 139 N -2.06 1.70 -0.38 3.34 0.31 -0.20 -4.22 118.33 116.82 1u19 n VAL 139 Ca -0.08 -0.66 0.08 0.00 -0.01 0.00 0.00 64.34 63.68 1u19 n VAL 139 Cb 0.51 -1.58 0.24 0.00 -0.91 0.00 0.00 33.84 32.11 1u19 n VAL 139 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u19 n LYS 141 N 0.83 0.00 0.00 0.00 4.81 -1.15 -4.75 118.16 117.90 1u19 n LYS 141 Ca 0.18 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.75 1u19 n LYS 141 Cb 0.60 0.00 0.74 0.00 0.02 0.00 0.00 35.03 36.39 1u19 n LYS 141 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1u19 n PRO 142 N 0.00 0.98 -1.42 1.64 -0.02 -1.26 -4.85 135.00 130.08 1u19 n PRO 142 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1u19 n PRO 142 Cb 0.00 -1.40 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 1u19 n PRO 142 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1u19 n MET 143 N -0.90 1.08 -0.02 -0.52 2.81 -1.26 -5.10 117.12 113.21 1u19 n MET 143 Ca 0.19 -0.42 -0.03 0.00 -1.81 0.00 0.00 57.70 55.63 1u19 n MET 143 Cb 0.09 -0.01 -0.01 0.00 -0.71 0.00 0.00 33.22 32.58 1u19 n MET 143 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1u19 n SER 144 N -2.64 1.11 -1.75 7.83 7.64 -1.26 -4.87 113.62 119.69 1u19 n SER 144 Ca 0.01 0.17 0.01 0.00 1.01 0.00 0.00 58.87 60.08 1u19 n SER 144 Cb 0.08 -0.47 0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1u19 n SER 144 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1u19 n ASN 145 N -3.58 1.58 -4.69 6.43 6.94 -1.26 -5.08 115.26 115.60 1u19 n ASN 145 Ca -0.05 -2.45 -0.42 0.00 -0.02 0.00 0.00 54.58 51.64 1u19 n ASN 145 Cb 0.20 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.21 1u19 n ASN 145 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1u19 s PHE 146 N -1.79 3.53 -0.11 -2.53 5.36 -1.26 -5.05 117.98 116.13 1u19 s PHE 146 Ca 0.34 1.59 0.02 0.00 -0.96 0.00 0.00 56.93 57.93 1u19 s PHE 146 Cb 0.37 -3.17 -0.01 0.00 -0.34 0.00 0.00 43.02 39.88 1u19 s PHE 146 CO -0.10 -0.19 -0.19 0.50 -1.46 0.00 0.00 175.22 173.77 1u19 s ARG 147 N 1.85 3.15 -1.16 10.12 3.52 -1.26 -5.01 118.95 130.16 1u19 s ARG 147 Ca 0.48 -0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 55.12 1u19 s ARG 147 Cb -0.19 -2.43 -0.05 0.00 -1.56 0.00 0.00 34.95 30.72 1u19 s ARG 147 CO 0.19 0.21 2.16 0.34 -0.81 0.00 0.00 175.30 177.40 1u19 n PHE 148 N 3.47 2.63 -0.38 5.12 -0.00 -1.26 -4.96 117.46 122.09 1u19 n PHE 148 Ca -0.19 -2.46 -0.27 0.00 -0.00 0.00 0.00 57.45 54.54 1u19 n PHE 148 Cb 0.53 -2.15 0.25 0.00 -0.00 0.00 0.00 39.48 38.10 1u19 n PHE 148 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1u19 n GLY 149 N 4.20 -3.13 0.29 7.13 0.00 -1.26 -4.74 105.19 107.68 1u19 n GLY 149 Ca 0.53 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1u19 n GLY 149 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u19 h GLU 150 N -3.13 0.00 -0.48 1.61 5.08 -1.93 -1.77 114.58 113.97 1u19 h GLU 150 Ca -0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1u19 h GLU 150 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1u19 h GLU 150 CO 0.28 0.00 0.14 -2.95 -1.00 0.00 0.00 179.01 175.49 1u19 h ASN 151 N 0.00 0.70 0.75 1.42 -1.07 -1.97 -0.73 115.58 114.68 1u19 h ASN 151 Ca 0.05 -0.21 -0.01 0.00 0.07 0.00 0.00 56.30 56.20 1u19 h ASN 151 Cb 0.19 -0.18 -0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1u19 h ASN 151 CO -0.00 0.73 -0.02 0.45 0.07 0.00 0.00 177.43 178.65 1u19 h HIS 152 N 0.64 0.00 -0.00 4.14 3.86 -1.62 -2.80 115.15 119.37 1u19 h HIS 152 Ca 0.15 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.24 1u19 h HIS 152 Cb 0.28 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.76 1u19 h HIS 152 CO 0.02 0.02 -0.49 0.00 0.86 0.00 0.00 177.93 178.34 1u19 h ALA 153 N 1.98 0.06 0.00 2.45 0.00 -0.95 -1.93 119.26 120.87 1u19 h ALA 153 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1u19 h ALA 153 Cb 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u19 h ALA 153 CO 0.00 0.26 -0.02 0.82 0.00 0.00 0.00 179.25 180.32 1u19 h ILE 154 N -0.24 0.06 0.25 0.00 5.03 -1.01 -1.92 117.51 119.69 1u19 h ILE 154 Ca -0.06 -0.39 -0.01 0.00 -0.12 0.00 0.00 64.86 64.27 1u19 h ILE 154 Cb 1.22 1.37 0.00 0.00 -3.03 0.00 0.00 36.82 36.37 1u19 h ILE 154 CO 0.10 0.02 -0.12 0.24 -0.68 0.00 0.00 178.15 177.71 1u19 h MET 155 N 0.00 -0.32 0.00 2.37 2.86 -1.43 -2.36 114.93 116.05 1u19 h MET 155 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1u19 h MET 155 Cb 0.36 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1u19 h MET 155 CO 0.00 -0.12 0.03 0.41 1.06 0.00 0.00 176.91 178.29 1u19 n GLY 156 N 0.83 -0.74 0.05 8.32 0.00 -0.73 -0.59 105.19 112.33 1u19 n GLY 156 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1u19 n GLY 156 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u19 h VAL 157 N 0.00 0.00 -0.72 1.61 2.07 -1.35 -3.22 116.25 114.64 1u19 h VAL 157 Ca 0.00 -0.87 0.13 0.00 0.82 0.00 0.00 66.70 66.77 1u19 h VAL 157 Cb 0.06 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.79 1u19 h VAL 157 CO 0.00 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.07 1u19 h ALA 158 N -1.13 2.03 -0.93 1.67 0.00 -0.95 -0.04 119.26 119.92 1u19 h ALA 158 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1u19 h ALA 158 Cb 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1u19 h ALA 158 CO 0.00 -0.21 0.60 0.35 0.00 0.00 0.00 179.25 179.99 1u19 h PHE 159 N 0.46 1.11 -0.30 0.00 3.57 -0.98 -0.93 116.94 119.87 1u19 h PHE 159 Ca 0.34 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.75 1u19 h PHE 159 Cb 0.70 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1u19 h PHE 159 CO -0.00 0.60 -0.33 1.79 -2.23 0.00 0.00 178.31 178.14 1u19 h THR 160 N 1.12 1.28 0.00 4.41 1.35 -1.02 -2.32 112.91 117.73 1u19 h THR 160 Ca 0.39 -1.46 -0.03 0.00 -0.55 0.00 0.00 66.41 64.76 1u19 h THR 160 Cb 0.10 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1u19 h THR 160 CO -0.15 0.47 -0.14 -0.50 -0.25 0.00 0.00 175.52 174.95 1u19 h TRP 161 N 0.56 0.00 0.14 4.73 4.06 -0.97 0.65 115.95 125.11 1u19 h TRP 161 Ca 0.06 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.72 1u19 h TRP 161 Cb 0.83 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1u19 h TRP 161 CO 0.04 0.14 -1.27 0.28 -3.56 0.00 0.00 178.44 174.07 1u19 h VAL 162 N 0.00 1.35 0.12 1.49 2.07 -0.87 -2.33 116.25 118.08 1u19 h VAL 162 Ca -0.00 -2.66 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 1u19 h VAL 162 Cb 0.71 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1u19 h VAL 162 CO 0.02 0.80 -0.06 0.24 0.02 0.00 0.00 177.57 178.58 1u19 h MET 163 N 0.19 -0.16 -0.61 1.57 2.86 -1.26 -1.71 114.93 115.82 1u19 h MET 163 Ca -0.18 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.59 1u19 h MET 163 Cb 1.95 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 33.53 1u19 h MET 163 CO 0.23 0.32 -0.15 0.00 1.06 0.00 0.00 176.91 178.37 1u19 h ALA 164 N -0.15 0.40 -0.70 6.32 0.00 -0.98 0.18 119.26 124.33 1u19 h ALA 164 Ca -0.02 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1u19 h ALA 164 Cb 0.55 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1u19 h ALA 164 CO 0.03 -0.43 0.27 -0.07 0.00 0.00 0.00 179.25 179.05 1u19 h LEU 165 N -0.00 0.97 -1.92 0.00 -0.00 -1.47 0.34 115.31 113.23 1u19 h LEU 165 Ca 0.29 -0.18 0.25 0.00 -0.00 0.00 0.00 57.88 58.24 1u19 h LEU 165 Cb 0.44 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.82 1u19 h LEU 165 CO -0.62 0.88 0.70 0.00 -0.00 0.00 0.00 178.44 179.40 1u19 h ALA 166 N 1.13 2.74 0.00 1.53 0.00 0.31 0.57 119.26 125.53 1u19 h ALA 166 Ca 0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1u19 h ALA 166 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1u19 h ALA 166 CO -0.02 -1.14 -1.51 0.00 0.00 0.00 0.00 179.25 176.58 1u19 h ALA 168 N -0.96 1.85 0.13 0.00 0.00 -0.06 -3.25 119.26 116.97 1u19 h ALA 168 Ca -0.24 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 1u19 h ALA 168 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1u19 h ALA 168 CO -0.15 -0.15 -1.38 0.00 0.00 0.00 0.00 179.25 177.57 1u19 h ALA 169 N 1.91 0.14 -0.83 0.00 0.00 -0.06 -3.40 119.26 117.02 1u19 h ALA 169 Ca 0.05 -1.05 0.14 0.00 0.00 0.00 0.00 54.91 54.05 1u19 h ALA 169 Cb 0.25 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 1u19 h ALA 169 CO -0.00 0.79 -0.34 -1.35 0.00 0.00 0.00 179.25 178.34 1u19 h PRO 170 N -0.27 -0.06 0.00 0.00 0.11 -1.71 0.38 132.00 130.45 1u19 h PRO 170 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1u19 h PRO 170 Cb 1.78 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.90 1u19 h PRO 170 CO 0.08 -0.04 0.33 -1.35 -0.21 0.00 0.00 178.00 176.81 1u19 h PRO 171 N -0.06 0.00 0.00 1.05 0.11 -1.39 0.60 132.00 132.31 1u19 h PRO 171 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1u19 h PRO 171 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1u19 h PRO 171 CO -0.86 0.00 -1.01 1.28 -0.21 0.00 0.00 178.00 177.20 1u19 n LEU 172 N -2.07 0.65 -0.78 2.35 4.77 0.12 -4.25 117.00 117.80 1u19 n LEU 172 Ca -0.01 -0.14 0.04 0.00 -0.03 0.00 0.00 56.01 55.86 1u19 n LEU 172 Cb 0.35 -0.09 0.18 0.00 -2.33 0.00 0.00 43.42 41.53 1u19 n LEU 172 CO 0.06 0.11 0.33 1.33 -1.33 0.00 0.00 177.39 177.88 1u19 n VAL 173 N -1.79 2.09 0.00 4.08 0.24 0.21 -4.96 118.33 118.19 1u19 n VAL 173 Ca 0.03 -3.18 0.00 0.00 -2.04 0.00 0.00 64.34 59.14 1u19 n VAL 173 Cb 0.40 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1u19 n VAL 173 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u19 n GLY 174 N -0.99 0.04 3.30 7.63 0.00 -1.16 -5.03 105.19 108.98 1u19 n GLY 174 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1u19 n GLY 174 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1u19 s TRP 175 N -2.00 3.25 0.00 1.61 -0.00 -0.93 -4.75 118.94 116.13 1u19 s TRP 175 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 56.10 54.80 1u19 s TRP 175 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 33.47 31.13 1u19 s TRP 175 CO 0.00 -0.71 0.00 0.45 -0.00 0.00 0.00 176.95 176.69 1u19 n SER 176 N 4.87 -3.22 -3.51 5.86 2.88 -0.70 -1.28 113.62 118.52 1u19 n SER 176 Ca -0.12 0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.35 1u19 n SER 176 Cb 0.45 -0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 1u19 n SER 176 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u19 s ARG 177 N -0.04 0.84 0.01 -1.46 1.70 -1.26 -4.50 118.95 114.24 1u19 s ARG 177 Ca 0.00 -0.24 -0.19 0.00 -0.47 0.00 0.00 55.73 54.83 1u19 s ARG 177 Cb 0.00 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.71 1u19 s ARG 177 CO 0.00 -0.35 0.55 0.71 -1.08 0.00 0.00 175.30 175.13 1u19 s TYR 178 N -2.86 3.71 0.01 5.89 2.02 -1.26 -1.51 117.35 123.35 1u19 s TYR 178 Ca 0.03 1.17 -0.00 0.00 -0.37 0.00 0.00 57.07 57.90 1u19 s TYR 178 Cb -0.01 -2.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.01 1u19 s TYR 178 CO -0.07 0.45 -0.02 -1.50 -1.57 0.00 0.00 175.55 172.84 1u19 s ILE 179 N -0.53 0.08 0.58 2.71 2.07 0.79 -4.88 121.20 122.01 1u19 s ILE 179 Ca 0.29 -0.62 -0.20 0.00 -1.41 0.00 0.00 60.65 58.71 1u19 s ILE 179 Cb -0.18 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 1u19 s ILE 179 CO 0.17 -0.34 1.26 -2.16 -1.91 0.00 0.00 174.94 171.95 1u19 s PRO 180 N -1.00 3.01 0.22 3.50 0.04 -1.26 -0.83 135.00 138.67 1u19 s PRO 180 Ca -0.11 1.97 0.08 0.00 0.04 0.00 0.00 61.00 62.98 1u19 s PRO 180 Cb -0.07 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1u19 s PRO 180 CO -0.01 -1.21 -0.14 -1.21 0.04 0.00 0.00 177.00 174.47 1u19 s GLU 181 N -3.17 1.39 5.75 4.56 2.02 0.15 -4.73 118.70 124.67 1u19 s GLU 181 Ca 0.76 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1u19 s GLU 181 Cb -0.34 -1.19 0.00 0.00 0.10 0.00 0.00 34.13 32.70 1u19 s GLU 181 CO 0.38 0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1u19 n GLY 182 N -0.43 2.62 0.15 -1.39 0.00 -1.26 0.07 105.19 104.96 1u19 n GLY 182 Ca -0.07 0.32 0.01 0.00 0.00 0.00 0.00 46.02 46.28 1u19 n GLY 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1u19 n MET 183 N 6.53 1.16 -2.28 1.61 2.81 -1.24 -4.42 117.12 121.30 1u19 n MET 183 Ca 0.00 -0.23 -0.14 0.00 -1.81 0.00 0.00 57.70 55.52 1u19 n MET 183 Cb 0.00 -1.09 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 1u19 n MET 183 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1u19 n GLN 184 N -0.29 -1.19 0.00 0.03 1.13 0.11 -4.85 117.38 112.33 1u19 n GLN 184 Ca 0.02 0.67 0.07 0.00 -1.94 0.00 0.00 57.00 55.82 1u19 n GLN 184 Cb 0.07 -4.94 -0.02 0.00 0.11 0.00 0.00 30.24 25.47 1u19 n GLN 184 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u19 s SER 186 N -1.84 2.37 0.00 0.00 1.04 -1.26 -4.68 113.70 109.34 1u19 s SER 186 Ca 0.10 -1.06 0.06 0.00 0.48 0.00 0.00 55.95 55.53 1u19 s SER 186 Cb 0.11 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 1u19 s SER 186 CO 0.40 -0.26 -0.19 0.00 0.98 0.00 0.00 173.24 174.16 1u19 n GLY 188 N 2.38 2.78 3.75 0.00 0.00 -0.01 -3.93 105.19 110.16 1u19 n GLY 188 Ca -0.16 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 1u19 n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u19 s ILE 189 N -3.10 2.32 -0.85 -0.61 -1.09 -1.26 -0.15 121.20 116.46 1u19 s ILE 189 Ca 0.34 0.23 -0.25 0.00 -2.23 0.00 0.00 60.65 58.74 1u19 s ILE 189 Cb 0.01 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.76 1u19 s ILE 189 CO 0.24 -0.01 1.77 -0.62 -1.23 0.00 0.00 174.94 175.09 1u19 s ASP 190 N -1.16 5.53 0.09 3.58 -1.08 -0.57 -4.72 116.67 118.33 1u19 s ASP 190 Ca 0.72 -0.58 0.22 0.00 -0.52 0.00 0.00 52.55 52.40 1u19 s ASP 190 Cb -0.37 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 38.43 1u19 s ASP 190 CO 0.42 -2.34 0.84 -1.22 0.52 0.00 0.00 175.17 173.40 1u19 n TYR 191 N 12.30 0.49 0.24 -5.34 4.01 -1.26 -4.55 117.16 123.05 1u19 n TYR 191 Ca 0.31 0.14 -0.12 0.00 -0.16 0.00 0.00 57.90 58.07 1u19 n TYR 191 Cb 0.49 -0.69 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1u19 n TYR 191 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1u19 h TYR 192 N 0.00 -0.61 -2.19 -0.72 -1.99 -1.86 -3.35 116.97 106.25 1u19 h TYR 192 Ca 0.00 -0.01 -0.53 0.00 2.00 0.00 0.00 58.73 60.19 1u19 h TYR 192 Cb 0.94 0.20 -0.07 0.00 2.00 0.00 0.00 36.73 39.81 1u19 h TYR 192 CO 0.00 -0.31 -0.58 0.95 -0.00 0.00 0.00 178.16 178.22 1u19 s THR 193 N -4.14 3.99 -0.15 -2.88 -4.23 -1.26 -4.61 115.64 102.36 1u19 s THR 193 Ca -0.12 -1.63 0.16 0.00 -1.18 0.00 0.00 61.69 58.91 1u19 s THR 193 Cb 0.01 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.72 1u19 s THR 193 CO 0.39 -0.36 1.31 -0.65 -0.54 0.00 0.00 174.62 174.77 1u19 h PRO 194 N 1.66 0.00 -2.77 3.99 0.11 -1.92 -3.43 132.00 129.65 1u19 h PRO 194 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u19 h PRO 194 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1u19 h PRO 194 CO 0.61 0.44 0.00 1.58 -0.21 0.00 0.00 178.00 180.42 1u19 n HIS 195 N -3.14 0.00 0.09 0.65 -0.00 -1.26 -3.18 115.22 108.39 1u19 n HIS 195 Ca -0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 1u19 n HIS 195 Cb 0.75 0.00 0.65 0.00 -0.12 0.00 0.00 29.99 31.27 1u19 n HIS 195 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1u19 h GLU 196 N 0.40 0.04 0.00 1.57 5.08 -1.96 -0.23 114.58 119.49 1u19 h GLU 196 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u19 h GLU 196 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1u19 h GLU 196 CO 0.00 0.03 0.39 -1.91 -1.00 0.00 0.00 179.01 176.52 1u19 n GLU 197 N -4.45 0.06 -0.17 2.33 2.13 -1.26 -0.82 120.64 118.46 1u19 n GLU 197 Ca 0.05 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1u19 n GLU 197 Cb 0.38 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1u19 n GLU 197 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1u19 n THR 198 N -1.86 0.00 -3.53 6.31 5.66 -0.13 -5.06 114.28 115.67 1u19 n THR 198 Ca -0.01 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1u19 n THR 198 Cb 0.41 0.60 0.02 0.00 -1.55 0.00 0.00 70.33 69.81 1u19 n THR 198 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1u19 n ASN 199 N 0.00 -5.93 0.14 1.09 4.13 0.00 -1.72 115.26 112.97 1u19 n ASN 199 Ca 0.00 -0.73 -0.08 0.00 1.68 0.00 0.00 54.58 55.45 1u19 n ASN 199 Cb 0.55 -3.45 -0.05 0.00 -1.54 0.00 0.00 39.78 35.30 1u19 n ASN 199 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1u19 h ASN 200 N -0.72 -0.37 -1.19 6.41 2.35 -1.55 -3.25 115.58 117.26 1u19 h ASN 200 Ca -0.46 -0.08 0.35 0.00 -0.55 0.00 0.00 56.30 55.56 1u19 h ASN 200 Cb 1.27 0.09 -0.10 0.00 0.05 0.00 0.00 38.32 39.63 1u19 h ASN 200 CO 0.39 0.10 0.78 -0.33 -1.65 0.00 0.00 177.43 176.73 1u19 h GLU 201 N -1.06 0.21 0.01 0.81 4.39 -1.83 -0.73 114.58 116.39 1u19 h GLU 201 Ca -0.04 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1u19 h GLU 201 Cb 0.42 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1u19 h GLU 201 CO 0.07 0.14 -0.01 0.66 -1.16 0.00 0.00 179.01 178.71 1u19 h SER 202 N 0.22 -0.01 -0.64 1.42 4.64 -1.95 -3.09 113.55 114.14 1u19 h SER 202 Ca 0.69 -0.60 0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1u19 h SER 202 Cb 2.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.13 1u19 h SER 202 CO -0.31 0.60 0.42 0.15 -0.87 0.00 0.00 176.83 176.83 1u19 h PHE 203 N -0.64 0.66 -0.68 4.77 3.57 -1.18 -2.03 116.94 121.40 1u19 h PHE 203 Ca -0.00 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1u19 h PHE 203 Cb 0.62 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1u19 h PHE 203 CO 0.14 0.36 0.13 0.28 -2.23 0.00 0.00 178.31 176.98 1u19 h VAL 204 N 0.66 1.26 -0.05 1.41 2.07 -1.44 -0.04 116.25 120.13 1u19 h VAL 204 Ca 0.27 -1.02 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 1u19 h VAL 204 Cb 0.24 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1u19 h VAL 204 CO -0.08 0.39 -0.58 0.40 0.02 0.00 0.00 177.57 177.71 1u19 h ILE 205 N 1.04 1.39 -0.53 4.57 2.04 -1.32 -1.86 117.51 122.84 1u19 h ILE 205 Ca 0.21 -1.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.06 1u19 h ILE 205 Cb 0.42 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1u19 h ILE 205 CO 0.01 0.57 0.13 0.22 0.00 0.00 0.00 178.15 179.09 1u19 h TYR 206 N 0.12 0.89 0.01 1.37 3.20 -0.93 -1.85 116.97 119.77 1u19 h TYR 206 Ca -0.00 -0.10 -0.20 0.00 3.14 0.00 0.00 58.73 61.56 1u19 h TYR 206 Cb 1.06 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1u19 h TYR 206 CO 0.01 0.77 -0.89 1.98 -1.64 0.00 0.00 178.16 178.39 1u19 h MET 207 N 0.74 0.19 0.00 1.82 4.05 -0.86 -1.02 114.93 119.86 1u19 h MET 207 Ca 0.17 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1u19 h MET 207 Cb 0.33 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1u19 h MET 207 CO 0.00 0.96 -0.18 1.19 0.23 0.00 0.00 176.91 179.11 1u19 n PHE 208 N -3.64 0.53 -0.08 1.39 3.72 -0.71 -2.78 117.46 115.88 1u19 n PHE 208 Ca -0.04 0.15 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 1u19 n PHE 208 Cb 0.82 -0.70 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1u19 n PHE 208 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1u19 n VAL 209 N -1.97 1.48 0.17 -4.37 0.31 -0.71 -1.73 118.33 111.51 1u19 n VAL 209 Ca 0.05 0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 1u19 n VAL 209 Cb 0.40 -2.26 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 1u19 n VAL 209 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1u19 h VAL 210 N -0.92 0.65 -0.85 2.52 2.07 -1.37 -0.88 116.25 117.47 1u19 h VAL 210 Ca -0.05 -0.55 -0.49 0.00 0.82 0.00 0.00 66.70 66.44 1u19 h VAL 210 Cb 0.97 0.92 -0.26 0.00 -1.52 0.00 0.00 31.29 31.40 1u19 h VAL 210 CO -0.03 0.10 0.62 1.41 0.02 0.00 0.00 177.57 179.70 1u19 n HIS 211 N -5.15 2.66 0.00 1.57 8.25 -1.12 -4.20 115.22 117.23 1u19 n HIS 211 Ca -0.10 -2.02 0.00 0.00 -0.26 0.00 0.00 57.72 55.35 1u19 n HIS 211 Cb 0.27 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.37 1u19 n HIS 211 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1u19 n PHE 212 N -0.78 -1.61 -0.25 4.41 7.35 -1.20 -4.84 117.46 120.55 1u19 n PHE 212 Ca 0.52 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 57.16 1u19 n PHE 212 Cb 1.20 0.32 0.06 0.00 0.35 0.00 0.00 39.48 41.41 1u19 n PHE 212 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1u19 h ILE 213 N 0.00 1.16 0.39 -2.13 2.04 -1.32 -2.67 117.51 114.98 1u19 h ILE 213 Ca 0.00 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1u19 h ILE 213 Cb 0.00 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1u19 h ILE 213 CO 0.00 0.17 -0.19 0.40 0.00 0.00 0.00 178.15 178.53 1u19 h ILE 214 N 0.91 0.00 -1.04 -0.67 2.04 -1.34 -2.37 117.51 115.04 1u19 h ILE 214 Ca 0.26 -0.06 0.31 0.00 1.00 0.00 0.00 64.86 66.36 1u19 h ILE 214 Cb -0.08 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.87 1u19 h ILE 214 CO -0.07 0.00 0.62 -0.65 0.00 0.00 0.00 178.15 178.05 1u19 h PRO 215 N -0.59 0.36 -0.43 2.37 0.11 -1.73 0.86 132.00 132.96 1u19 h PRO 215 Ca -0.05 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1u19 h PRO 215 Cb 0.40 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1u19 h PRO 215 CO 0.09 0.24 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.03 1u19 h LEU 216 N 0.37 0.67 0.51 2.35 -0.00 -1.43 -1.83 115.31 115.95 1u19 h LEU 216 Ca 0.70 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 58.40 1u19 h LEU 216 Cb 1.63 -0.18 0.01 0.00 -0.00 0.00 0.00 40.66 42.12 1u19 h LEU 216 CO -0.51 0.75 -0.25 0.40 -0.00 0.00 0.00 178.44 178.83 1u19 h ILE 217 N 0.66 0.48 -0.08 1.22 2.04 0.13 0.12 117.51 122.08 1u19 h ILE 217 Ca 0.13 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1u19 h ILE 217 Cb 0.43 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1u19 h ILE 217 CO 0.02 0.02 -0.27 0.58 0.00 0.00 0.00 178.15 178.51 1u19 h VAL 218 N -0.77 0.00 -0.59 1.67 2.07 -1.21 1.21 116.25 118.63 1u19 h VAL 218 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1u19 h VAL 218 Cb 0.57 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.23 1u19 h VAL 218 CO 0.12 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 178.00 1u19 h ILE 219 N -0.27 0.44 -0.55 4.57 2.04 -1.35 0.52 117.51 122.91 1u19 h ILE 219 Ca 0.02 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 1u19 h ILE 219 Cb 0.33 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1u19 h ILE 219 CO -0.22 0.01 0.11 -0.26 0.00 0.00 0.00 178.15 177.78 1u19 h PHE 220 N 0.03 0.90 0.47 1.37 0.04 -0.03 -0.21 116.94 119.50 1u19 h PHE 220 Ca 0.29 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 1u19 h PHE 220 Cb 0.46 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1u19 h PHE 220 CO -0.45 0.76 -0.23 0.35 -0.60 0.00 0.00 178.31 178.15 1u19 h PHE 221 N 0.82 -0.58 -0.69 -0.55 3.04 0.40 -2.57 116.94 116.81 1u19 h PHE 221 Ca 0.18 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.31 1u19 h PHE 221 Cb 0.33 0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 1u19 h PHE 221 CO 0.02 -0.36 0.63 0.00 -2.02 0.00 0.00 178.31 176.57 1u19 h TYR 223 N 0.00 0.00 0.10 0.00 3.20 -0.78 -2.34 116.97 117.14 1u19 h TYR 223 Ca 0.33 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.94 1u19 h TYR 223 Cb 1.58 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 1u19 h TYR 223 CO 0.00 0.01 -1.22 0.78 -1.64 0.00 0.00 178.16 176.09 1u19 h GLY 224 N 2.20 0.23 0.90 1.82 0.00 0.74 -3.31 103.07 105.65 1u19 h GLY 224 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1u19 h GLY 224 CO 0.00 0.52 0.01 1.46 0.00 0.00 0.00 176.54 178.53 1u19 h GLN 225 N 0.05 0.03 -1.53 4.80 1.08 -0.93 -2.40 115.11 116.22 1u19 h GLN 225 Ca -0.12 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.94 1u19 h GLN 225 Cb 1.93 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 29.29 1u19 h GLN 225 CO 0.18 0.13 0.17 1.28 -0.95 0.00 0.00 178.83 179.64 1u19 n LEU 226 N -5.02 5.19 -0.08 1.46 4.32 -1.05 -3.77 117.00 118.05 1u19 n LEU 226 Ca -0.07 -2.53 -0.21 0.00 -0.02 0.00 0.00 56.01 53.18 1u19 n LEU 226 Cb 0.08 -0.93 -0.12 0.00 -1.62 0.00 0.00 43.42 40.83 1u19 n LEU 226 CO 0.33 0.95 -1.09 0.55 -1.22 0.00 0.00 177.39 176.91 1u19 n VAL 227 N 0.70 1.60 0.01 4.08 3.14 -0.90 -4.41 118.33 122.55 1u19 n VAL 227 Ca 0.13 -0.52 -0.18 0.00 -2.96 0.00 0.00 64.34 60.81 1u19 n VAL 227 Cb 0.61 -1.65 -0.13 0.00 -1.06 0.00 0.00 33.84 31.61 1u19 n VAL 227 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 1u19 h PHE 228 N -0.20 0.48 0.00 1.45 3.57 -1.75 -3.43 116.94 117.06 1u19 h PHE 228 Ca -0.52 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 60.68 1u19 h PHE 228 Cb 1.85 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.55 1u19 h PHE 228 CO 0.04 1.16 0.00 0.25 -2.23 0.00 0.00 178.31 177.53 1u19 n THR 229 N -4.26 0.00 -1.71 4.41 -2.24 -1.26 -4.78 114.28 104.44 1u19 n THR 229 Ca -0.11 0.00 -0.58 0.00 -2.27 0.00 0.00 64.05 61.08 1u19 n THR 229 Cb 0.68 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.84 1u19 n THR 229 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1u19 n VAL 230 N 0.00 0.27 -2.10 2.28 3.14 -1.26 -4.94 118.33 115.71 1u19 n VAL 230 Ca 0.00 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1u19 n VAL 230 Cb 0.00 -1.14 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 1u19 n VAL 230 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1u19 n LYS 231 N 5.10 3.78 -0.04 1.45 5.02 -1.26 -4.50 118.16 127.70 1u19 n LYS 231 Ca 0.26 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.41 1u19 n LYS 231 Cb 0.12 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.04 1u19 n LYS 231 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u19 h GLU 232 N 0.00 0.34 -6.07 1.97 4.39 -1.93 -3.44 114.58 109.84 1u19 h GLU 232 Ca 0.00 -0.23 -0.68 0.00 0.34 0.00 0.00 59.36 58.79 1u19 h GLU 232 Cb 0.00 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1u19 h GLU 232 CO 0.00 0.83 1.24 0.00 -1.16 0.00 0.00 179.01 179.92 1u19 n ALA 233 N -2.47 0.71 -3.45 3.43 0.00 -1.26 -4.94 120.51 112.53 1u19 n ALA 233 Ca -0.07 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1u19 n ALA 233 Cb 0.43 -2.45 -0.12 0.00 0.00 0.00 0.00 19.45 17.32 1u19 n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u19 s ALA 234 N 5.85 -0.01 1.05 0.00 0.00 -1.26 -5.06 121.76 122.33 1u19 s ALA 234 Ca 1.05 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 1u19 s ALA 234 Cb -0.90 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 20.61 1u19 s ALA 234 CO 0.54 -1.72 0.11 0.00 0.00 0.00 0.00 175.76 174.69 1u19 n ALA 235 N 5.20 -0.59 -1.04 0.00 0.00 -1.26 -5.02 120.51 117.80 1u19 n ALA 235 Ca -0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 1u19 n ALA 235 Cb 0.44 -0.02 0.23 0.00 0.00 0.00 0.00 19.45 20.11 1u19 n ALA 235 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1u19 s GLN 236 N -3.25 -1.04 -0.00 0.00 1.03 -1.26 -4.56 119.66 110.58 1u19 s GLN 236 Ca 0.08 0.07 -0.00 0.00 0.04 0.00 0.00 55.36 55.55 1u19 s GLN 236 Cb -0.01 -1.61 -0.00 0.00 0.03 0.00 0.00 33.01 31.42 1u19 s GLN 236 CO 0.07 -3.62 0.00 1.04 -2.54 0.00 0.00 175.29 170.24 1u19 n GLN 237 N -4.72 0.00 0.00 9.60 3.00 -1.26 -4.34 117.38 119.67 1u19 n GLN 237 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1u19 n GLN 237 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.83 1u19 n GLN 237 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1u19 n GLN 238 N 0.00 0.00 0.00 -1.09 7.27 -1.26 -4.71 117.38 117.59 1u19 n GLN 238 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1u19 n GLN 238 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1u19 n GLN 238 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1u19 n GLU 239 N 1.87 0.00 0.00 3.69 4.07 -1.26 -4.51 120.64 124.50 1u19 n GLU 239 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1u19 n GLU 239 Cb 0.00 -0.04 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 1u19 n GLU 239 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1u19 n SER 240 N 0.00 0.00 0.00 4.31 2.88 -1.26 -5.01 113.62 114.54 1u19 n SER 240 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1u19 n SER 240 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1u19 n SER 240 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u19 n ALA 241 N 0.00 0.00 0.28 -1.46 0.00 -1.26 -4.72 120.51 113.35 1u19 n ALA 241 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1u19 n ALA 241 Cb 0.00 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.34 1u19 n ALA 241 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u19 h THR 242 N 0.00 0.00 -0.44 0.00 2.02 -1.89 0.30 112.91 112.89 1u19 h THR 242 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1u19 h THR 242 Cb 0.00 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1u19 h THR 242 CO 0.00 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.64 1u19 h THR 243 N 0.00 1.27 0.00 3.16 1.03 -1.98 0.46 112.91 116.85 1u19 h THR 243 Ca 0.00 -1.41 -0.00 0.00 -0.01 0.00 0.00 66.41 64.99 1u19 h THR 243 Cb 0.22 1.22 -0.00 0.00 -1.07 0.00 0.00 68.15 68.53 1u19 h THR 243 CO 0.00 0.48 -0.02 -0.61 -0.01 0.00 0.00 175.52 175.36 1u19 h GLN 244 N 0.78 0.00 -0.00 0.00 -0.00 -0.75 -3.10 115.11 112.03 1u19 h GLN 244 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 1u19 h GLN 244 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.31 1u19 h GLN 244 CO 0.07 0.02 -0.72 1.17 0.00 0.00 0.00 178.83 179.37 1u19 n LYS 245 N -3.11 0.21 0.00 1.69 3.00 -0.48 -3.73 118.16 115.75 1u19 n LYS 245 Ca 0.03 -0.16 0.10 0.00 -0.00 0.00 0.00 58.31 58.29 1u19 n LYS 245 Cb 0.48 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.94 1u19 n LYS 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1u19 n ALA 246 N -1.26 4.38 0.01 3.14 0.00 0.16 -4.04 120.51 122.90 1u19 n ALA 246 Ca 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1u19 n ALA 246 Cb 0.35 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1u19 n ALA 246 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1u19 h GLU 247 N 0.00 0.08 0.00 0.00 4.39 -1.65 -3.21 114.58 114.19 1u19 h GLU 247 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1u19 h GLU 247 Cb 0.55 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1u19 h GLU 247 CO 0.00 0.77 0.00 1.63 -1.16 0.00 0.00 179.01 180.25 1u19 n LYS 248 N -3.22 0.05 0.00 2.33 5.02 -1.24 -0.87 118.16 120.24 1u19 n LYS 248 Ca -0.16 0.45 -0.06 0.00 -2.02 0.00 0.00 58.31 56.51 1u19 n LYS 248 Cb 1.03 -1.63 -0.12 0.00 -0.02 0.00 0.00 35.03 34.29 1u19 n LYS 248 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1u19 h GLU 249 N 0.00 0.00 0.01 1.97 4.11 -1.73 -3.11 114.58 115.83 1u19 h GLU 249 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 1u19 h GLU 249 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1u19 h GLU 249 CO 0.00 0.52 -0.93 0.28 0.07 0.00 0.00 179.01 178.95 1u19 h VAL 250 N 0.00 1.44 -0.47 -1.06 2.07 -1.09 -2.93 116.25 114.20 1u19 h VAL 250 Ca -0.22 -2.54 -0.04 0.00 0.82 0.00 0.00 66.70 64.73 1u19 h VAL 250 Cb 1.89 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 34.10 1u19 h VAL 250 CO 0.08 0.75 0.15 0.74 0.02 0.00 0.00 177.57 179.31 1u19 h THR 251 N 0.18 1.22 -0.40 2.57 2.02 -1.34 -1.62 112.91 115.54 1u19 h THR 251 Ca -0.07 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 1u19 h THR 251 Cb 1.57 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1u19 h THR 251 CO 0.16 0.27 -0.01 0.03 0.37 0.00 0.00 175.52 176.34 1u19 h ARG 252 N 0.63 0.63 0.24 6.66 3.08 -1.57 0.37 114.38 124.41 1u19 h ARG 252 Ca 0.15 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1u19 h ARG 252 Cb 0.27 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1u19 h ARG 252 CO -0.01 0.66 -0.11 1.98 -1.07 0.00 0.00 179.97 181.42 1u19 h MET 253 N 0.60 -0.31 -1.03 0.04 4.05 -1.31 -0.64 114.93 116.33 1u19 h MET 253 Ca 0.12 0.02 0.26 0.00 -0.28 0.00 0.00 59.70 59.82 1u19 h MET 253 Cb 0.39 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 31.16 1u19 h MET 253 CO 0.01 -0.05 0.65 0.28 0.23 0.00 0.00 176.91 178.04 1u19 h VAL 254 N -0.54 0.53 -0.08 -5.77 2.07 -0.59 0.35 116.25 112.22 1u19 h VAL 254 Ca -0.03 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1u19 h VAL 254 Cb 0.40 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1u19 h VAL 254 CO 0.05 0.08 -0.17 0.40 0.02 0.00 0.00 177.57 177.96 1u19 h ILE 255 N 0.44 1.41 -0.64 4.57 2.04 -0.59 -2.72 117.51 122.02 1u19 h ILE 255 Ca 0.60 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1u19 h ILE 255 Cb 1.44 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 39.69 1u19 h ILE 255 CO -0.33 0.42 0.40 0.40 0.00 0.00 0.00 178.15 179.04 1u19 h ILE 256 N -0.23 1.17 -0.62 -0.67 1.08 0.63 -1.14 117.51 117.73 1u19 h ILE 256 Ca 0.00 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.09 1u19 h ILE 256 Cb 0.76 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1u19 h ILE 256 CO 0.04 0.17 0.25 0.24 -0.69 0.00 0.00 178.15 178.16 1u19 h MET 257 N 0.87 0.90 -0.30 2.37 2.86 -0.35 -0.70 114.93 120.58 1u19 h MET 257 Ca 0.23 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1u19 h MET 257 Cb -0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1u19 h MET 257 CO -0.05 0.74 -0.16 0.28 1.06 0.00 0.00 176.91 178.78 1u19 h VAL 258 N 0.89 1.29 0.54 -2.22 2.07 -0.94 -1.79 116.25 116.09 1u19 h VAL 258 Ca 0.21 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1u19 h VAL 258 Cb 0.17 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1u19 h VAL 258 CO -0.02 0.41 -0.37 0.40 0.02 0.00 0.00 177.57 178.01 1u19 h ILE 259 N 0.39 0.26 -0.82 4.57 1.08 -0.86 -0.98 117.51 121.15 1u19 h ILE 259 Ca 0.07 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.71 1u19 h ILE 259 Cb 0.69 0.26 -0.11 0.00 -3.07 0.00 0.00 36.82 34.59 1u19 h ILE 259 CO 0.05 0.00 0.35 0.00 -0.69 0.00 0.00 178.15 177.85 1u19 h ALA 260 N -0.52 1.22 -0.26 1.87 0.00 -1.14 0.30 119.26 120.73 1u19 h ALA 260 Ca -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1u19 h ALA 260 Cb 0.72 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1u19 h ALA 260 CO 0.04 -0.24 0.13 0.35 0.00 0.00 0.00 179.25 179.53 1u19 h PHE 261 N 0.45 0.36 -0.79 0.00 3.57 -0.88 -1.53 116.94 118.12 1u19 h PHE 261 Ca 0.47 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.92 1u19 h PHE 261 Cb 0.79 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1u19 h PHE 261 CO -0.15 0.33 0.32 -0.07 -2.23 0.00 0.00 178.31 176.51 1u19 h LEU 262 N 0.29 1.08 -1.87 0.59 3.38 0.31 0.65 115.31 119.75 1u19 h LEU 262 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1u19 h LEU 262 Cb 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1u19 h LEU 262 CO -0.01 0.95 -0.12 0.40 0.09 0.00 0.00 178.44 179.75 1u19 h ILE 263 N 1.14 0.52 0.07 1.22 2.04 -0.83 0.17 117.51 121.84 1u19 h ILE 263 Ca 0.26 -0.56 -0.30 0.00 1.00 0.00 0.00 64.86 65.26 1u19 h ILE 263 Cb 0.21 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1u19 h ILE 263 CO -0.02 0.12 -1.59 0.00 0.00 0.00 0.00 178.15 176.66 1u19 n TRP 265 N -3.31 0.00 -0.07 0.00 7.02 0.07 -4.37 117.44 116.78 1u19 n TRP 265 Ca -0.17 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.21 1u19 n TRP 265 Cb 1.03 -0.09 -0.04 0.00 -2.42 0.00 0.00 31.31 29.79 1u19 n TRP 265 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1u19 h LEU 266 N 0.00 0.34 -0.75 -0.99 4.07 -0.88 0.44 115.31 117.54 1u19 h LEU 266 Ca 0.00 -0.23 0.09 0.00 0.08 0.00 0.00 57.88 57.82 1u19 h LEU 266 Cb 0.20 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 1u19 h LEU 266 CO 0.00 0.48 0.40 1.55 -1.08 0.00 0.00 178.44 179.79 1u19 h PRO 267 N 0.18 0.67 0.51 1.13 0.13 -1.81 0.50 132.00 133.31 1u19 h PRO 267 Ca 0.07 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1u19 h PRO 267 Cb 0.27 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.25 1u19 h PRO 267 CO 0.00 0.44 -0.25 -0.92 -0.23 0.00 0.00 178.00 177.05 1u19 h TYR 268 N 0.69 -0.64 -0.97 1.56 3.20 -1.70 -1.77 116.97 117.34 1u19 h TYR 268 Ca 0.36 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.43 1u19 h TYR 268 Cb 0.33 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.72 1u19 h TYR 268 CO -0.08 -0.31 0.62 0.00 -1.64 0.00 0.00 178.16 176.74 1u19 h ALA 269 N -0.69 2.03 0.04 1.82 0.00 0.14 0.13 119.26 122.73 1u19 h ALA 269 Ca -0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u19 h ALA 269 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1u19 h ALA 269 CO 0.12 -0.37 -0.02 0.78 0.00 0.00 0.00 179.25 179.75 1u19 h GLY 270 N 0.53 -0.06 1.01 0.00 0.00 0.21 -0.14 103.07 104.61 1u19 h GLY 270 Ca 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 1u19 h GLY 270 CO -0.27 -0.02 0.43 -2.08 0.00 0.00 0.00 176.54 174.60 1u19 h VAL 271 N -0.35 1.22 -0.55 4.60 2.07 -0.36 0.17 116.25 123.06 1u19 h VAL 271 Ca -0.01 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1u19 h VAL 271 Cb 0.32 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1u19 h VAL 271 CO 0.01 0.24 0.33 0.00 0.02 0.00 0.00 177.57 178.17 1u19 h ALA 272 N 1.22 0.70 -0.01 1.67 0.00 -0.73 -0.81 119.26 121.30 1u19 h ALA 272 Ca 0.27 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1u19 h ALA 272 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1u19 h ALA 272 CO -0.05 0.05 -0.75 0.35 0.00 0.00 0.00 179.25 178.85 1u19 h PHE 273 N 0.66 0.13 -0.19 0.00 3.57 -0.50 -2.60 116.94 118.00 1u19 h PHE 273 Ca 0.22 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1u19 h PHE 273 Cb 0.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1u19 h PHE 273 CO -0.06 0.81 0.04 -0.92 -2.23 0.00 0.00 178.31 175.94 1u19 h TYR 274 N 0.06 0.33 -0.44 0.41 3.20 -0.07 -2.78 116.97 117.67 1u19 h TYR 274 Ca -0.02 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 1u19 h TYR 274 Cb 1.33 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1u19 h TYR 274 CO 0.01 0.45 0.14 0.82 -1.64 0.00 0.00 178.16 177.94 1u19 h ILE 275 N 0.11 1.18 -0.13 1.81 2.04 -1.16 -2.32 117.51 119.04 1u19 h ILE 275 Ca 0.06 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 1u19 h ILE 275 Cb 0.29 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1u19 h ILE 275 CO 0.00 0.23 -0.37 0.15 0.00 0.00 0.00 178.15 178.16 1u19 h PHE 276 N 0.63 0.32 -0.65 1.37 3.57 -1.34 -1.66 116.94 119.18 1u19 h PHE 276 Ca 0.15 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1u19 h PHE 276 Cb 0.18 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1u19 h PHE 276 CO 0.01 0.61 0.00 0.25 -2.23 0.00 0.00 178.31 176.95 1u19 n THR 277 N -4.06 1.01 -2.70 4.41 -2.24 -1.06 -4.25 114.28 105.39 1u19 n THR 277 Ca -0.01 -0.91 -0.06 0.00 -2.27 0.00 0.00 64.05 60.79 1u19 n THR 277 Cb 0.45 0.39 0.09 0.00 -2.10 0.00 0.00 70.33 69.16 1u19 n THR 277 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1u19 n HIS 278 N 1.37 -1.13 -2.07 4.78 8.25 -0.90 -5.07 115.22 120.46 1u19 n HIS 278 Ca 0.22 -2.12 -0.41 0.00 -0.26 0.00 0.00 57.72 55.15 1u19 n HIS 278 Cb 0.60 0.92 -0.02 0.00 1.12 0.00 0.00 29.99 32.61 1u19 n HIS 278 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1u19 s GLN 279 N -1.04 4.31 0.00 -0.41 -0.21 -0.65 -2.84 119.66 118.82 1u19 s GLN 279 Ca 0.21 2.24 0.00 0.00 0.02 0.00 0.00 55.36 57.84 1u19 s GLN 279 Cb 0.42 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 31.32 1u19 s GLN 279 CO -0.06 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.20 1u19 n GLY 280 N 1.71 2.26 2.79 3.09 0.00 -1.26 -5.02 105.19 108.76 1u19 n GLY 280 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1u19 n GLY 280 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u19 n SER 281 N 0.00 -2.44 -4.35 1.61 3.41 -1.13 -4.06 113.62 106.65 1u19 n SER 281 Ca 0.00 -0.95 -0.46 0.00 -0.26 0.00 0.00 58.87 57.20 1u19 n SER 281 Cb 0.00 -0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 63.12 1u19 n SER 281 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u19 s ASP 282 N -3.63 6.98 0.13 4.04 2.15 -1.26 -4.60 116.67 120.49 1u19 s ASP 282 Ca 0.57 -2.98 0.09 0.00 0.43 0.00 0.00 52.55 50.66 1u19 s ASP 282 Cb -0.07 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.27 1u19 s ASP 282 CO 0.45 -0.53 -0.22 0.72 -0.17 0.00 0.00 175.17 175.42 1u19 s PHE 283 N -0.01 1.99 0.27 -5.34 -0.71 -1.26 -5.16 117.98 107.75 1u19 s PHE 283 Ca 0.26 -0.41 0.04 0.00 -1.04 0.00 0.00 56.93 55.78 1u19 s PHE 283 Cb -0.09 -1.05 0.04 0.00 -1.21 0.00 0.00 43.02 40.71 1u19 s PHE 283 CO -0.08 0.30 0.33 0.41 -1.34 0.00 0.00 175.22 174.84 1u19 n GLY 284 N 0.76 2.17 0.28 1.99 0.00 -1.26 -4.68 105.19 104.46 1u19 n GLY 284 Ca -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.62 1u19 n GLY 284 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u19 h PRO 285 N 0.00 0.75 -0.32 1.61 0.13 -1.77 -3.07 132.00 129.33 1u19 h PRO 285 Ca -0.13 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 1u19 h PRO 285 Cb 0.58 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1u19 h PRO 285 CO 0.20 0.77 0.02 0.82 -0.23 0.00 0.00 178.00 179.58 1u19 h ILE 286 N 0.70 1.18 -0.95 -3.56 1.08 -1.92 -2.67 117.51 111.37 1u19 h ILE 286 Ca 0.14 -0.68 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 1u19 h ILE 286 Cb 0.46 0.91 -0.12 0.00 -3.07 0.00 0.00 36.82 35.00 1u19 h ILE 286 CO 0.02 0.24 -0.57 0.15 -0.69 0.00 0.00 178.15 177.30 1u19 h PHE 287 N 0.47 -1.81 0.00 1.37 3.57 -1.94 -2.10 116.94 116.50 1u19 h PHE 287 Ca 0.11 0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1u19 h PHE 287 Cb 0.27 0.91 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u19 h PHE 287 CO 0.01 -0.38 -0.93 -0.12 -2.23 0.00 0.00 178.31 174.65 1u19 n MET 288 N -5.28 0.17 -0.24 1.11 1.56 -1.19 -4.32 117.12 108.93 1u19 n MET 288 Ca 0.02 -0.01 -0.07 0.00 -0.27 0.00 0.00 57.70 57.38 1u19 n MET 288 Cb 0.28 -1.55 0.04 0.00 2.15 0.00 0.00 33.22 34.14 1u19 n MET 288 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1u19 h THR 289 N 0.00 1.24 0.37 1.12 2.02 -1.02 -2.45 112.91 114.19 1u19 h THR 289 Ca 0.00 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1u19 h THR 289 Cb 0.63 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1u19 h THR 289 CO 0.00 0.30 -0.18 0.40 0.37 0.00 0.00 175.52 176.42 1u19 h ILE 290 N 0.96 0.00 -0.06 3.11 1.08 -1.72 -0.59 117.51 120.29 1u19 h ILE 290 Ca 0.22 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.61 1u19 h ILE 290 Cb 0.22 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.96 1u19 h ILE 290 CO -0.02 0.00 0.17 1.55 -0.69 0.00 0.00 178.15 179.16 1u19 h PRO 291 N -0.59 0.00 0.04 2.37 0.13 -1.79 0.12 132.00 132.28 1u19 h PRO 291 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 1u19 h PRO 291 Cb 0.38 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.52 1u19 h PRO 291 CO 0.08 0.00 -0.36 0.00 -0.23 0.00 0.00 178.00 177.49 1u19 h ALA 292 N 1.72 -0.01 0.00 -0.56 0.00 -1.29 -2.81 119.26 116.31 1u19 h ALA 292 Ca 0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1u19 h ALA 292 Cb 0.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1u19 h ALA 292 CO -0.00 0.16 -0.34 0.74 0.00 0.00 0.00 179.25 179.81 1u19 h PHE 293 N -0.58 0.00 -0.24 0.00 -1.00 -0.75 -3.11 116.94 111.27 1u19 h PHE 293 Ca -0.06 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.58 1u19 h PHE 293 Cb 1.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 1u19 h PHE 293 CO 0.21 0.34 -0.45 0.35 -1.61 0.00 0.00 178.31 177.15 1u19 h PHE 294 N 0.00 0.74 0.00 -0.55 3.57 -0.84 -2.97 116.94 116.90 1u19 h PHE 294 Ca -0.00 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 1u19 h PHE 294 Cb 1.14 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1u19 h PHE 294 CO 0.00 0.96 -0.15 0.00 -2.23 0.00 0.00 178.31 176.88 1u19 h ALA 295 N 1.01 1.18 0.00 2.41 0.00 -1.42 -2.58 119.26 119.85 1u19 h ALA 295 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u19 h ALA 295 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1u19 h ALA 295 CO 0.09 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.16 1u19 n LYS 296 N -3.53 0.05 0.00 0.00 5.02 -1.12 -0.53 118.16 118.05 1u19 n LYS 296 Ca -0.01 0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 1u19 n LYS 296 Cb 0.30 -1.50 0.65 0.00 -0.02 0.00 0.00 35.03 34.46 1u19 n LYS 296 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1u19 n THR 297 N -1.33 0.16 0.30 -0.18 -2.24 -0.97 -2.86 114.28 107.15 1u19 n THR 297 Ca 0.02 0.04 0.17 0.00 -2.27 0.00 0.00 64.05 62.01 1u19 n THR 297 Cb 0.04 -0.65 0.78 0.00 -2.10 0.00 0.00 70.33 68.40 1u19 n THR 297 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u19 h SER 298 N 0.00 0.00 -0.01 3.42 4.64 -1.06 -1.60 113.55 118.94 1u19 h SER 298 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u19 h SER 298 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1u19 h SER 298 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1u19 n ALA 299 N -1.98 2.62 0.00 5.18 0.00 -1.14 -4.29 120.51 120.90 1u19 n ALA 299 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1u19 n ALA 299 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1u19 n ALA 299 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u19 n VAL 300 N -0.76 0.00 0.25 0.00 0.24 -0.65 -4.78 118.33 112.62 1u19 n VAL 300 Ca 0.16 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 1u19 n VAL 300 Cb 0.09 0.00 0.64 0.00 -1.47 0.00 0.00 33.84 33.09 1u19 n VAL 300 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1u19 h TYR 301 N 0.00 0.00 0.56 6.34 -0.00 -1.61 -3.18 116.97 119.08 1u19 h TYR 301 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 1u19 h TYR 301 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.74 1u19 h TYR 301 CO 0.00 0.16 -0.27 -0.91 -0.00 0.00 0.00 178.16 177.15 1u19 h ASN 302 N 0.00 -0.63 -0.48 0.10 -0.26 -1.86 -2.27 115.58 110.18 1u19 h ASN 302 Ca -0.00 -0.00 0.14 0.00 -0.56 0.00 0.00 56.30 55.88 1u19 h ASN 302 Cb 0.44 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.84 1u19 h ASN 302 CO 0.02 -0.41 0.40 -0.65 -1.06 0.00 0.00 177.43 175.73 1u19 h PRO 303 N -0.80 0.00 -0.14 0.81 0.11 -1.91 -1.31 132.00 128.76 1u19 h PRO 303 Ca -0.08 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.86 1u19 h PRO 303 Cb 0.60 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.71 1u19 h PRO 303 CO 0.13 0.00 -0.58 0.28 -0.21 0.00 0.00 178.00 177.62 1u19 h VAL 304 N 0.00 1.33 -0.03 3.15 2.07 -1.51 -2.47 116.25 118.79 1u19 h VAL 304 Ca 0.23 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 65.93 1u19 h VAL 304 Cb 1.02 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1u19 h VAL 304 CO -0.00 0.57 -0.15 0.40 0.02 0.00 0.00 177.57 178.41 1u19 h ILE 305 N 0.30 0.62 -0.38 4.57 2.04 -0.70 -1.76 117.51 122.20 1u19 h ILE 305 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1u19 h ILE 305 Cb 1.21 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 37.83 1u19 h ILE 305 CO 0.12 0.00 -0.41 0.22 0.00 0.00 0.00 178.15 178.08 1u19 h TYR 306 N -0.24 -1.19 -0.84 1.37 3.20 -1.43 1.39 116.97 119.24 1u19 h TYR 306 Ca 0.06 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1u19 h TYR 306 Cb 0.32 0.57 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1u19 h TYR 306 CO -0.22 -0.44 0.47 0.82 -1.64 0.00 0.00 178.16 177.16 1u19 h ILE 307 N -0.33 1.24 0.00 1.81 2.04 -1.25 0.40 117.51 121.42 1u19 h ILE 307 Ca 0.14 -0.58 -0.20 0.00 1.00 0.00 0.00 64.86 65.22 1u19 h ILE 307 Cb 0.58 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1u19 h ILE 307 CO -0.55 0.27 -0.88 0.24 0.00 0.00 0.00 178.15 177.22 1u19 h MET 308 N 1.16 0.19 -0.38 2.37 2.86 -0.45 -3.35 114.93 117.33 1u19 h MET 308 Ca 0.30 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1u19 h MET 308 Cb 0.01 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1u19 h MET 308 CO -0.05 0.95 0.00 -1.33 1.06 0.00 0.00 176.91 177.54 1u19 n MET 309 N -3.65 3.39 -3.24 1.72 2.81 0.47 -4.82 117.12 113.80 1u19 n MET 309 Ca -0.03 -2.80 -0.14 0.00 -1.81 0.00 0.00 57.70 52.91 1u19 n MET 309 Cb 0.81 -1.85 -0.06 0.00 -0.71 0.00 0.00 33.22 31.41 1u19 n MET 309 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1u19 s ASN 310 N -1.47 0.42 0.26 7.83 3.84 0.10 -4.82 114.94 121.09 1u19 s ASN 310 Ca 0.43 -1.79 -0.12 0.00 0.21 0.00 0.00 52.86 51.59 1u19 s ASN 310 Cb 0.32 0.79 0.36 0.00 -0.55 0.00 0.00 41.25 42.18 1u19 s ASN 310 CO 0.13 -0.19 1.56 0.50 -2.79 0.00 0.00 177.10 176.31 1u19 h LYS 311 N 6.41 -0.01 -0.20 0.43 1.63 -1.84 0.14 116.57 123.14 1u19 h LYS 311 Ca 0.09 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1u19 h LYS 311 Cb 1.05 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.62 1u19 h LYS 311 CO 0.18 -0.01 -0.31 0.37 -3.45 0.00 0.00 179.45 176.23 1u19 h GLN 312 N -0.01 -0.34 -0.36 1.90 4.15 -1.93 0.81 115.11 119.33 1u19 h GLN 312 Ca 0.42 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.84 1u19 h GLN 312 Cb 0.66 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1u19 h GLN 312 CO -0.97 -0.23 0.13 0.35 -1.93 0.00 0.00 178.83 176.19 1u19 h PHE 313 N -0.35 0.56 0.19 3.99 3.57 -1.30 -1.75 116.94 121.86 1u19 h PHE 313 Ca 0.11 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1u19 h PHE 313 Cb 0.53 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1u19 h PHE 313 CO -0.43 0.53 -0.49 -0.09 -2.23 0.00 0.00 178.31 175.59 1u19 h ARG 314 N 0.43 -0.74 -0.85 1.11 2.43 -0.08 0.24 114.38 116.91 1u19 h ARG 314 Ca 0.12 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1u19 h ARG 314 Cb 0.21 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1u19 h ARG 314 CO -0.01 -0.50 0.47 -0.91 -1.51 0.00 0.00 179.97 177.52 1u19 h ASN 315 N -0.77 1.06 0.91 -3.80 -0.26 -0.85 -1.71 115.58 110.15 1u19 h ASN 315 Ca -0.01 -0.09 -0.04 0.00 -0.56 0.00 0.00 56.30 55.60 1u19 h ASN 315 Cb 0.76 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1u19 h ASN 315 CO -0.23 0.85 -0.18 0.00 -1.06 0.00 0.00 177.43 176.81 1u19 h MET 317 N 0.00 0.26 0.00 0.00 1.85 -0.07 -3.11 114.93 113.87 1u19 h MET 317 Ca -0.00 -0.34 -0.02 0.00 -0.61 0.00 0.00 59.70 58.73 1u19 h MET 317 Cb 0.68 0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.82 1u19 h MET 317 CO 0.02 1.09 -0.09 -0.24 -0.40 0.00 0.00 176.91 177.29 1u19 h VAL 318 N -0.41 0.54 -0.21 -5.77 3.04 -1.37 0.20 116.25 112.28 1u19 h VAL 318 Ca -0.08 -0.41 -0.10 0.00 -1.01 0.00 0.00 66.70 65.10 1u19 h VAL 318 Cb 1.30 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 1u19 h VAL 318 CO 0.10 0.09 -0.31 0.74 -1.01 0.00 0.00 177.57 177.17 1u19 h THR 319 N 0.00 1.28 -0.02 3.17 2.02 -1.45 0.72 112.91 118.63 1u19 h THR 319 Ca -0.00 -1.36 -0.19 0.00 0.77 0.00 0.00 66.41 65.63 1u19 h THR 319 Cb 0.26 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1u19 h THR 319 CO 0.01 0.43 -0.81 0.74 0.37 0.00 0.00 175.52 176.26 1u19 h THR 320 N 0.38 1.46 0.00 3.16 2.02 -0.61 -3.20 112.91 116.11 1u19 h THR 320 Ca 0.05 -2.45 -0.13 0.00 0.77 0.00 0.00 66.41 64.65 1u19 h THR 320 Cb 0.73 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1u19 h THR 320 CO 0.06 0.72 -0.61 -0.07 0.37 0.00 0.00 175.52 175.98 1u19 h LEU 321 N 0.13 0.00 -2.73 2.58 3.38 -0.63 -3.02 115.31 115.02 1u19 h LEU 321 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1u19 h LEU 321 Cb 1.41 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.06 1u19 h LEU 321 CO 0.12 0.61 0.21 0.00 0.09 0.00 0.00 178.44 179.48 1u19 n GLY 324 N 0.00 -1.05 0.00 0.00 0.00 -1.26 -4.70 105.19 98.17 1u19 n GLY 324 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1u19 n GLY 324 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u19 n LYS 325 N 0.00 0.00 -2.83 1.61 5.02 -1.25 -4.62 118.16 116.08 1u19 n LYS 325 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1u19 n LYS 325 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 1u19 n LYS 325 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u19 n ASN 326 N 0.00 -5.20 0.27 4.39 3.02 -1.26 -4.54 115.26 111.93 1u19 n ASN 326 Ca 0.00 -0.53 0.12 0.00 -0.03 0.00 0.00 54.58 54.14 1u19 n ASN 326 Cb 0.00 -4.03 0.75 0.00 -0.61 0.00 0.00 39.78 35.89 1u19 n ASN 326 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1u19 h PRO 327 N -0.86 0.00 0.00 3.52 0.13 -1.94 -3.46 132.00 129.40 1u19 h PRO 327 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1u19 h PRO 327 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1u19 h PRO 327 CO 0.33 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.46 1u19 n LEU 328 N -3.91 0.00 0.00 1.56 7.99 -1.26 -4.52 117.00 116.86 1u19 n LEU 328 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1u19 n LEU 328 Cb 0.17 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1u19 n LEU 328 CO 0.31 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1u19 n GLY 329 N 0.00 1.65 2.68 -0.72 0.00 -1.26 -3.44 105.19 104.10 1u19 n GLY 329 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1u19 n GLY 329 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u19 n ASP 330 N 0.13 2.06 0.00 1.61 -0.08 -1.26 -5.12 116.55 113.88 1u19 n ASP 330 Ca 0.00 -2.49 0.00 0.00 -1.51 0.00 0.00 54.79 50.79 1u19 n ASP 330 Cb 0.00 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 42.98 1u19 n ASP 330 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1u19 n ASP 331 N -0.45 0.00 0.13 1.67 10.43 -1.22 -3.41 116.55 123.69 1u19 n ASP 331 Ca 0.13 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.62 1u19 n ASP 331 Cb 0.82 -0.23 0.48 0.00 1.84 0.00 0.00 41.12 44.03 1u19 n ASP 331 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1u19 n GLU 332 N -0.23 0.22 0.00 -1.24 0.00 -1.26 -4.88 120.64 113.25 1u19 n GLU 332 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.55 1u19 n GLU 332 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 31.44 29.56 1u19 n GLU 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1u19 n ALA 333 N -1.79 0.00 -1.29 4.31 0.00 -1.22 -4.72 120.51 115.80 1u19 n ALA 333 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1u19 n ALA 333 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1u19 n ALA 333 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u19 n SER 334 N 3.60 0.00 -4.76 0.00 7.64 -1.26 -5.01 113.62 113.83 1u19 n SER 334 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1u19 n SER 334 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1u19 n SER 334 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1u19 s THR 335 N 1.11 3.09 0.22 0.44 -4.23 -1.26 -4.99 115.64 110.03 1u19 s THR 335 Ca 0.00 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1u19 s THR 335 Cb 0.00 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1u19 s THR 335 CO 0.00 -0.40 0.00 0.35 -0.54 0.00 0.00 174.62 174.03 1u19 n THR 336 N -3.18 0.08 -0.07 3.99 -2.24 -1.26 -4.40 114.28 107.19 1u19 n THR 336 Ca 0.10 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1u19 n THR 336 Cb 0.52 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1u19 n THR 336 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1u19 n VAL 337 N -3.30 0.00 -1.17 2.28 0.24 -0.77 -4.73 118.33 110.87 1u19 n VAL 337 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1u19 n VAL 337 Cb 0.01 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1u19 n VAL 337 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1u19 n SER 338 N -1.91 0.45 0.00 -1.34 7.64 -1.26 -4.65 113.62 112.56 1u19 n SER 338 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1u19 n SER 338 Cb 0.22 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.33 1u19 n SER 338 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1u19 h LYS 339 N 0.00 0.72 0.00 1.43 1.63 -1.33 0.34 116.57 119.35 1u19 h LYS 339 Ca 0.00 -0.66 0.00 0.00 -0.85 0.00 0.00 60.65 59.14 1u19 h LYS 339 Cb 0.00 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1u19 h LYS 339 CO 0.00 1.26 0.00 -2.37 -3.45 0.00 0.00 179.45 174.89 1u19 n THR 340 N -3.95 0.00 0.00 1.00 5.66 -1.26 -4.77 114.28 110.95 1u19 n THR 340 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1u19 n THR 340 Cb 0.78 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1u19 n THR 340 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1u19 n GLU 341 N -2.60 0.00 -0.57 1.09 0.28 -1.26 -2.68 120.64 114.89 1u19 n GLU 341 Ca 0.00 0.36 0.04 0.00 -0.16 0.00 0.00 57.16 57.41 1u19 n GLU 341 Cb 0.00 -0.68 0.25 0.00 1.43 0.00 0.00 31.44 32.44 1u19 n GLU 341 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1u19 n THR 342 N -1.11 2.40 0.29 3.84 5.66 -1.26 -4.71 114.28 119.39 1u19 n THR 342 Ca 0.00 -2.06 0.05 0.00 -3.05 0.00 0.00 64.05 58.98 1u19 n THR 342 Cb 0.00 -0.28 0.22 0.00 -1.55 0.00 0.00 70.33 68.72 1u19 n THR 342 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1u19 n SER 343 N -0.64 0.08 -4.63 1.09 2.88 -1.09 -1.85 113.62 109.45 1u19 n SER 343 Ca 0.26 0.53 -0.55 0.00 -1.33 0.00 0.00 58.87 57.78 1u19 n SER 343 Cb 0.97 -0.54 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 1u19 n SER 343 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u19 n GLN 344 N -1.60 1.26 -2.82 -1.46 10.64 -1.26 -4.78 117.38 117.36 1u19 n GLN 344 Ca 0.02 0.44 -0.40 0.00 -1.83 0.00 0.00 57.00 55.23 1u19 n GLN 344 Cb 0.10 -2.25 -0.06 0.00 -0.86 0.00 0.00 30.24 27.18 1u19 n GLN 344 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1u19 s VAL 345 N 4.58 4.23 -0.36 -0.39 -7.23 -1.26 -4.88 120.40 115.09 1u19 s VAL 345 Ca 1.01 1.96 0.13 0.00 -1.81 0.00 0.00 61.98 63.27 1u19 s VAL 345 Cb -0.98 -4.27 0.38 0.00 0.56 0.00 0.00 36.38 32.07 1u19 s VAL 345 CO 0.60 0.48 0.81 0.00 -0.31 0.00 0.00 175.10 176.68 1u19 n ALA 346 N 1.72 2.30 -1.00 1.32 0.00 -1.26 -5.05 120.51 118.54 1u19 n ALA 346 Ca -0.03 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1u19 n ALA 346 Cb 0.48 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1u19 n ALA 346 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1u19 n PRO 347 N 0.18 0.00 0.00 0.00 -0.02 -1.26 -5.15 135.00 128.76 1u19 n PRO 347 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1u19 n PRO 347 Cb 0.71 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.62 1u19 n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48