#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b38 h GLU 2 N 0.00 0.00 -0.00 0.03 9.09 -2.06 -1.03 114.58 120.61 1b38 h GLU 2 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1b38 h GLU 2 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1b38 h GLU 2 CO 0.00 0.00 -0.12 0.09 0.05 0.00 0.00 179.01 179.03 1b38 n ASN 3 N -2.75 0.21 -4.37 3.06 4.13 -1.26 -4.87 115.26 109.41 1b38 n ASN 3 Ca -0.02 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.92 1b38 n ASN 3 Cb 0.15 -0.22 -0.15 0.00 -1.54 0.00 0.00 39.78 38.02 1b38 n ASN 3 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1b38 s PHE 4 N -2.81 2.54 -0.28 3.10 0.08 -0.39 0.18 117.98 120.41 1b38 s PHE 4 Ca 0.19 -0.41 -0.07 0.00 0.12 0.00 0.00 56.93 56.77 1b38 s PHE 4 Cb 0.19 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 41.04 1b38 s PHE 4 CO 0.54 -0.00 0.06 -1.14 -0.10 0.00 0.00 175.22 174.58 1b38 s GLN 5 N -0.48 3.27 -0.21 0.44 2.00 0.22 -4.89 119.66 120.02 1b38 s GLN 5 Ca 0.06 -0.73 -0.29 0.00 -2.00 0.00 0.00 55.36 52.40 1b38 s GLN 5 Cb -0.12 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.33 1b38 s GLN 5 CO 0.01 -0.35 2.00 0.15 -0.50 0.00 0.00 175.29 176.61 1b38 s LYS 6 N 1.53 3.42 -0.06 1.67 1.02 -1.26 -0.54 119.74 125.51 1b38 s LYS 6 Ca 0.04 1.93 -0.21 0.00 0.02 0.00 0.00 55.97 57.75 1b38 s LYS 6 Cb -0.16 -4.26 -0.31 0.00 -0.52 0.00 0.00 37.83 32.59 1b38 s LYS 6 CO 0.02 -1.77 0.83 0.28 -0.92 0.00 0.00 175.35 173.79 1b38 h VAL 7 N 6.71 1.43 -2.07 3.17 2.07 -0.85 -3.48 116.25 123.23 1b38 h VAL 7 Ca -0.40 -2.51 0.16 0.00 0.82 0.00 0.00 66.70 64.77 1b38 h VAL 7 Cb 1.21 3.12 -0.15 0.00 -1.52 0.00 0.00 31.29 33.94 1b38 h VAL 7 CO 0.98 0.71 0.58 -1.83 0.02 0.00 0.00 177.57 178.03 1b38 s GLU 8 N -2.43 0.72 -0.31 1.57 -1.05 -1.09 -4.99 118.70 111.12 1b38 s GLU 8 Ca -0.15 -0.28 -0.23 0.00 -0.15 0.00 0.00 54.97 54.15 1b38 s GLU 8 Cb 0.01 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1b38 s GLU 8 CO 0.82 -0.32 0.79 0.21 0.95 0.00 0.00 175.26 177.71 1b38 s LYS 9 N -2.95 3.96 -0.12 -4.83 2.20 -1.26 -0.02 119.74 116.71 1b38 s LYS 9 Ca 0.07 0.58 -0.18 0.00 -0.36 0.00 0.00 55.97 56.08 1b38 s LYS 9 Cb -0.01 -3.73 -0.26 0.00 -1.51 0.00 0.00 37.83 32.32 1b38 s LYS 9 CO -0.07 -0.69 0.54 0.82 -0.36 0.00 0.00 175.35 175.60 1b38 h ILE 10 N 5.61 1.12 0.00 5.43 2.04 -0.85 -3.47 117.51 127.38 1b38 h ILE 10 Ca -0.24 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.25 1b38 h ILE 10 Cb 1.10 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 1b38 h ILE 10 CO 0.89 0.63 0.00 0.61 0.00 0.00 0.00 178.15 180.28 1b38 n GLY 11 N 1.68 -1.20 3.15 5.37 0.00 -1.04 -5.01 105.19 108.13 1b38 n GLY 11 Ca -0.24 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1b38 n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b38 s GLU 12 N -0.23 0.55 0.00 1.61 -1.05 -1.26 -0.17 118.70 118.15 1b38 s GLU 12 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 1b38 s GLU 12 Cb 0.00 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1b38 s GLU 12 CO 0.00 -0.14 0.00 0.41 0.95 0.00 0.00 175.26 176.48 1b38 n GLY 13 N 1.31 5.62 0.18 -3.83 0.00 0.00 -4.97 105.19 103.51 1b38 n GLY 13 Ca -0.22 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1b38 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1b38 h THR 14 N 0.00 0.73 0.00 2.61 2.02 -1.95 -3.17 112.91 113.16 1b38 h THR 14 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1b38 h THR 14 Cb 0.00 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1b38 h THR 14 CO 0.00 0.02 -1.68 -1.22 0.37 0.00 0.00 175.52 173.01 1b38 n TYR 15 N -5.24 0.07 -3.51 3.16 4.01 -1.26 -1.98 117.16 112.41 1b38 n TYR 15 Ca -0.10 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1b38 n TYR 15 Cb 0.19 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 1b38 n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b38 n GLY 16 N 1.31 -1.27 3.89 2.72 0.00 -1.25 -4.48 105.19 106.10 1b38 n GLY 16 Ca -0.02 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 1b38 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b38 s VAL 17 N -3.00 5.16 -0.11 1.61 0.11 -1.11 -0.82 120.40 122.24 1b38 s VAL 17 Ca 0.00 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1b38 s VAL 17 Cb 0.00 -3.62 -0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1b38 s VAL 17 CO 0.00 0.07 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.94 1b38 s VAL 18 N -1.62 2.24 0.06 2.04 1.01 0.76 -1.70 120.40 123.19 1b38 s VAL 18 Ca 0.40 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1b38 s VAL 18 Cb -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1b38 s VAL 18 CO 0.24 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 175.38 1b38 s TYR 19 N 0.38 2.51 0.01 5.22 1.51 0.24 -0.11 117.35 127.12 1b38 s TYR 19 Ca -0.17 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1b38 s TYR 19 Cb -0.17 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1b38 s TYR 19 CO 0.08 0.26 1.07 0.21 -1.11 0.00 0.00 175.55 176.06 1b38 s LYS 20 N -1.57 4.50 0.11 -0.62 2.20 0.97 0.02 119.74 125.35 1b38 s LYS 20 Ca 0.15 1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 57.28 1b38 s LYS 20 Cb -0.10 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1b38 s LYS 20 CO 0.06 -0.15 0.08 0.00 -0.36 0.00 0.00 175.35 174.98 1b38 s ALA 21 N 1.12 0.51 -0.11 3.13 0.00 0.11 -0.11 121.76 126.40 1b38 s ALA 21 Ca 0.54 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1b38 s ALA 21 Cb -0.24 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 1b38 s ALA 21 CO 0.28 -0.48 -0.20 0.50 0.00 0.00 0.00 175.76 175.85 1b38 s ARG 22 N -3.98 3.17 -0.33 0.00 3.52 0.30 -0.81 118.95 120.82 1b38 s ARG 22 Ca 0.16 -0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 54.67 1b38 s ARG 22 Cb 0.07 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 31.01 1b38 s ARG 22 CO -0.03 0.18 1.80 1.21 -0.81 0.00 0.00 175.30 177.65 1b38 s ASN 23 N 0.37 5.89 0.00 -2.12 3.84 0.16 -0.61 114.94 122.47 1b38 s ASN 23 Ca -0.15 1.31 0.00 0.00 0.21 0.00 0.00 52.86 54.23 1b38 s ASN 23 Cb -0.17 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.02 1b38 s ASN 23 CO 0.07 -1.71 0.15 0.29 -2.79 0.00 0.00 177.10 173.12 1b38 n LYS 24 N 8.43 0.11 0.00 0.43 5.02 0.49 -1.06 118.16 131.59 1b38 n LYS 24 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1b38 n LYS 24 Cb 0.47 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1b38 n LYS 24 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1b38 n LEU 25 N -0.53 0.00 0.22 -0.35 7.94 -1.26 -4.84 117.00 118.17 1b38 n LEU 25 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 1b38 n LEU 25 Cb 0.00 0.03 0.23 0.00 0.53 0.00 0.00 43.42 44.22 1b38 n LEU 25 CO 0.00 -0.16 0.78 0.74 -1.11 0.00 0.00 177.39 177.64 1b38 h THR 26 N 0.00 0.17 0.00 1.96 2.02 -1.92 -3.47 112.91 111.67 1b38 h THR 26 Ca 0.00 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1b38 h THR 26 Cb 0.00 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1b38 h THR 26 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 1b38 n GLY 27 N 0.92 2.97 3.63 2.16 0.00 -0.22 -5.00 105.19 109.65 1b38 n GLY 27 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1b38 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b38 n GLU 28 N -2.00 1.67 -3.53 1.61 2.13 -1.26 -4.45 120.64 114.81 1b38 n GLU 28 Ca 0.00 0.59 -0.38 0.00 0.66 0.00 0.00 57.16 58.04 1b38 n GLU 28 Cb 0.00 -2.12 -0.09 0.00 0.27 0.00 0.00 31.44 29.50 1b38 n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1b38 s VAL 29 N -0.53 5.28 0.28 6.31 1.01 -1.26 0.40 120.40 131.89 1b38 s VAL 29 Ca 0.65 0.41 0.02 0.00 0.00 0.00 0.00 61.98 63.05 1b38 s VAL 29 Cb -0.70 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1b38 s VAL 29 CO 0.55 0.28 0.13 0.68 0.00 0.00 0.00 175.10 176.74 1b38 s VAL 30 N 1.33 0.41 -0.17 2.92 -7.23 0.01 -4.40 120.40 113.27 1b38 s VAL 30 Ca 0.12 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 1b38 s VAL 30 Cb -0.14 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 1b38 s VAL 30 CO 0.07 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 174.76 1b38 s ALA 31 N -3.71 2.67 -0.29 1.32 0.00 0.05 -0.71 121.76 121.08 1b38 s ALA 31 Ca 0.37 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 1b38 s ALA 31 Cb 0.06 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1b38 s ALA 31 CO 0.15 -0.10 0.06 -0.51 0.00 0.00 0.00 175.76 175.36 1b38 s LEU 32 N 0.93 3.77 -0.24 0.00 1.43 0.10 -0.81 118.68 123.86 1b38 s LEU 32 Ca -0.02 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1b38 s LEU 32 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1b38 s LEU 32 CO -0.00 -0.19 0.07 -0.75 0.23 0.00 0.00 176.35 175.71 1b38 s LYS 33 N 1.47 3.71 -0.28 1.70 2.20 0.17 -0.59 119.74 128.13 1b38 s LYS 33 Ca 0.02 -0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 55.00 1b38 s LYS 33 Cb -0.17 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1b38 s LYS 33 CO 0.01 -0.12 0.52 0.21 -0.36 0.00 0.00 175.35 175.61 1b38 s LYS 34 N 1.44 4.00 0.00 4.03 2.20 -0.69 -0.64 119.74 130.08 1b38 s LYS 34 Ca 0.06 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1b38 s LYS 34 Cb -0.15 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1b38 s LYS 34 CO 0.04 -0.40 0.00 -0.89 -0.36 0.00 0.00 175.35 173.73 1b38 n ILE 35 N 5.21 0.00 -3.64 5.43 2.08 -0.58 -2.77 119.36 125.09 1b38 n ILE 35 Ca -0.04 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.22 1b38 n ILE 35 Cb 0.50 -0.17 -0.07 0.00 -0.75 0.00 0.00 39.64 39.15 1b38 n ILE 35 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1b38 s VAL 44 N 0.13 0.00 0.34 1.39 1.01 -1.26 -4.42 120.40 117.59 1b38 s VAL 44 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 1b38 s VAL 44 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.26 1b38 s VAL 44 CO 0.00 0.00 1.37 -0.81 0.00 0.00 0.00 175.10 175.66 1b38 n PRO 45 N 3.00 2.30 -0.12 2.72 -0.04 -1.26 -4.86 135.00 136.74 1b38 n PRO 45 Ca -0.16 0.81 -0.07 0.00 -0.04 0.00 0.00 63.50 64.04 1b38 n PRO 45 Cb 0.57 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.57 1b38 n PRO 45 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1b38 h SER 46 N 2.97 -1.01 -0.47 3.54 0.87 -2.00 -2.67 113.55 114.78 1b38 h SER 46 Ca -0.47 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1b38 h SER 46 Cb 1.27 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 63.68 1b38 h SER 46 CO 0.65 -0.31 0.26 0.00 -0.53 0.00 0.00 176.83 176.90 1b38 h THR 47 N -0.23 1.16 -0.43 2.23 1.03 -1.95 -2.34 112.91 112.39 1b38 h THR 47 Ca 0.18 -0.42 -0.12 0.00 -0.01 0.00 0.00 66.41 66.04 1b38 h THR 47 Cb 0.52 0.51 -0.01 0.00 -1.07 0.00 0.00 68.15 68.10 1b38 h THR 47 CO -0.53 0.18 -0.20 0.00 -0.01 0.00 0.00 175.52 174.96 1b38 h ALA 48 N 1.60 0.60 -0.75 0.00 0.00 -1.66 -0.97 119.26 118.08 1b38 h ALA 48 Ca 0.18 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1b38 h ALA 48 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1b38 h ALA 48 CO -0.03 0.56 0.49 0.82 0.00 0.00 0.00 179.25 181.10 1b38 h ILE 49 N 0.71 1.20 -0.29 0.00 1.08 -1.15 0.46 117.51 119.52 1b38 h ILE 49 Ca 0.10 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.16 1b38 h ILE 49 Cb 0.76 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1b38 h ILE 49 CO 0.06 0.19 0.02 0.03 -0.69 0.00 0.00 178.15 177.77 1b38 h ARG 50 N 1.02 0.49 -0.47 2.37 3.08 -1.31 -0.58 114.38 118.98 1b38 h ARG 50 Ca 0.27 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1b38 h ARG 50 Cb -0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1b38 h ARG 50 CO -0.06 0.62 0.12 1.49 -1.07 0.00 0.00 179.97 181.07 1b38 h GLU 51 N 0.29 0.76 -0.41 0.04 4.57 -0.75 -2.24 114.58 116.84 1b38 h GLU 51 Ca 0.08 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 57.99 1b38 h GLU 51 Cb 0.38 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1b38 h GLU 51 CO 0.01 0.74 -0.10 0.82 -1.18 0.00 0.00 179.01 179.30 1b38 h ILE 52 N 0.64 1.25 -0.27 2.32 1.08 0.03 -2.85 117.51 119.71 1b38 h ILE 52 Ca 0.15 -1.13 -0.05 0.00 -0.39 0.00 0.00 64.86 63.44 1b38 h ILE 52 Cb 0.33 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1b38 h ILE 52 CO 0.00 0.38 -0.06 0.28 -0.69 0.00 0.00 178.15 178.07 1b38 h SER 53 N 0.66 0.41 0.84 1.72 0.02 -0.65 0.15 113.55 116.69 1b38 h SER 53 Ca 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1b38 h SER 53 Cb 0.56 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1b38 h SER 53 CO 0.03 0.51 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.05 1b38 h LEU 54 N 0.41 0.00 -1.49 5.07 3.38 -1.17 -2.76 115.31 118.75 1b38 h LEU 54 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1b38 h LEU 54 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1b38 h LEU 54 CO 0.02 0.11 -0.26 -0.07 0.09 0.00 0.00 178.44 178.33 1b38 h LEU 55 N 0.00 0.00 -2.09 1.67 3.38 -0.67 -2.40 115.31 115.20 1b38 h LEU 55 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1b38 h LEU 55 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1b38 h LEU 55 CO 0.01 0.26 0.19 0.11 0.09 0.00 0.00 178.44 179.10 1b38 h LYS 56 N 0.00 0.00 -0.00 1.13 1.57 -1.50 -1.77 116.57 116.01 1b38 h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b38 h LYS 56 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1b38 h LYS 56 CO 0.03 0.00 -0.60 0.39 -0.57 0.00 0.00 179.45 178.70 1b38 n GLU 57 N -4.24 0.18 -2.75 3.15 1.02 -0.91 -4.65 120.64 112.44 1b38 n GLU 57 Ca 0.03 -0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.61 1b38 n GLU 57 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1b38 n GLU 57 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1b38 n LEU 58 N -1.31 5.10 -4.78 -4.62 7.94 -0.66 -4.95 117.00 113.72 1b38 n LEU 58 Ca 0.06 -4.19 -0.36 0.00 -1.11 0.00 0.00 56.01 50.42 1b38 n LEU 58 Cb 0.34 -1.69 -0.08 0.00 0.53 0.00 0.00 43.42 42.53 1b38 n LEU 58 CO 0.36 0.44 -0.22 0.20 -1.11 0.00 0.00 177.39 177.06 1b38 s ASN 59 N 3.52 5.99 -0.14 1.96 0.02 -1.26 -4.95 114.94 120.07 1b38 s ASN 59 Ca 0.49 0.31 -0.29 0.00 -1.02 0.00 0.00 52.86 52.35 1b38 s ASN 59 Cb 0.01 -1.91 0.09 0.00 0.02 0.00 0.00 41.25 39.45 1b38 s ASN 59 CO 0.04 0.34 0.80 -2.28 0.02 0.00 0.00 177.10 176.03 1b38 s HIS 60 N -0.65 -0.59 -0.17 2.20 2.46 -1.26 -5.03 115.29 112.25 1b38 s HIS 60 Ca 0.12 1.15 0.27 0.00 0.47 0.00 0.00 55.06 57.08 1b38 s HIS 60 Cb -0.12 0.39 1.27 0.00 -0.13 0.00 0.00 32.58 33.99 1b38 s HIS 60 CO 0.02 -0.47 1.82 -1.00 -2.47 0.00 0.00 174.74 172.65 1b38 h PRO 61 N 3.36 0.00 -0.44 2.88 0.13 -1.99 -1.77 132.00 134.18 1b38 h PRO 61 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1b38 h PRO 61 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1b38 h PRO 61 CO 0.28 0.00 0.02 0.09 -0.23 0.00 0.00 178.00 178.16 1b38 n ASN 62 N -2.49 4.76 -4.16 1.44 4.13 -1.26 -4.83 115.26 112.84 1b38 n ASN 62 Ca 0.00 -3.02 -0.31 0.00 1.68 0.00 0.00 54.58 52.93 1b38 n ASN 62 Cb 0.17 -0.63 -0.17 0.00 -1.54 0.00 0.00 39.78 37.62 1b38 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1b38 s ILE 63 N -2.83 1.93 0.10 2.41 -1.09 -0.67 -1.00 121.20 120.05 1b38 s ILE 63 Ca 0.49 -0.92 -0.32 0.00 -2.23 0.00 0.00 60.65 57.67 1b38 s ILE 63 Cb 0.39 -1.70 -0.11 0.00 -1.58 0.00 0.00 42.46 39.46 1b38 s ILE 63 CO 0.12 0.53 1.83 0.52 -1.23 0.00 0.00 174.94 176.71 1b38 n VAL 64 N 3.86 0.38 -2.18 2.92 0.31 -0.70 -4.53 118.33 118.39 1b38 n VAL 64 Ca -0.20 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 1b38 n VAL 64 Cb 0.52 -2.08 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1b38 n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1b38 s LYS 65 N 2.80 4.33 -0.72 5.55 2.20 -1.26 -4.87 119.74 127.77 1b38 s LYS 65 Ca 0.83 2.06 -0.25 0.00 -0.36 0.00 0.00 55.97 58.25 1b38 s LYS 65 Cb -0.51 -3.25 0.05 0.00 -1.51 0.00 0.00 37.83 32.61 1b38 s LYS 65 CO 0.39 -0.43 1.15 -1.17 -0.36 0.00 0.00 175.35 174.93 1b38 s LEU 66 N 1.10 3.71 0.03 5.43 2.96 -1.26 -0.65 118.68 130.00 1b38 s LEU 66 Ca 0.64 -0.73 -0.20 0.00 -0.22 0.00 0.00 54.13 53.63 1b38 s LEU 66 Cb -0.36 -2.50 -0.17 0.00 0.50 0.00 0.00 46.19 43.65 1b38 s LEU 66 CO 0.30 -1.65 1.24 -0.07 -1.32 0.00 0.00 176.35 174.85 1b38 h LEU 67 N 12.29 0.46 -7.15 -0.68 3.38 -0.67 -3.45 115.31 119.50 1b38 h LEU 67 Ca -0.26 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.09 1b38 h LEU 67 Cb 1.06 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1b38 h LEU 67 CO 1.24 0.98 0.18 -1.81 0.09 0.00 0.00 178.44 179.12 1b38 s ASP 68 N -6.40 -0.50 -0.17 -0.43 1.01 -1.02 -5.01 116.67 104.15 1b38 s ASP 68 Ca -0.14 -0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.03 1b38 s ASP 68 Cb 0.05 0.60 0.03 0.00 1.01 0.00 0.00 42.92 44.60 1b38 s ASP 68 CO 0.78 -0.99 -0.14 -0.69 0.21 0.00 0.00 175.17 174.34 1b38 s VAL 69 N -3.77 1.70 -0.26 -1.27 1.01 -1.26 -0.73 120.40 115.81 1b38 s VAL 69 Ca 0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1b38 s VAL 69 Cb -0.01 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1b38 s VAL 69 CO -0.11 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 174.72 1b38 s ILE 70 N 1.41 3.08 -0.35 2.22 1.01 0.63 -4.96 121.20 124.24 1b38 s ILE 70 Ca 0.03 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 1b38 s ILE 70 Cb -0.14 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.77 1b38 s ILE 70 CO -0.10 0.14 0.12 -2.28 0.00 0.00 0.00 174.94 172.81 1b38 s HIS 71 N 1.34 3.26 0.02 3.97 2.46 -1.26 0.12 115.29 125.21 1b38 s HIS 71 Ca -0.00 -1.41 0.00 0.00 0.47 0.00 0.00 55.06 54.12 1b38 s HIS 71 Cb -0.17 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 29.92 1b38 s HIS 71 CO -0.03 -0.73 -0.03 0.95 -2.47 0.00 0.00 174.74 172.42 1b38 s THR 72 N 1.41 0.16 -0.67 0.89 -4.23 0.62 -4.94 115.64 108.88 1b38 s THR 72 Ca -0.01 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1b38 s THR 72 Cb -0.20 -0.29 0.01 0.00 1.34 0.00 0.00 72.50 73.36 1b38 s THR 72 CO 0.03 -0.44 0.10 -0.62 -0.54 0.00 0.00 174.62 173.15 1b38 n GLU 73 N 1.71 -0.87 -0.93 3.99 1.02 -1.26 0.17 120.64 124.47 1b38 n GLU 73 Ca -0.23 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1b38 n GLU 73 Cb 0.55 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1b38 n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1b38 n ASN 74 N -0.96 -0.71 -4.32 1.62 4.13 -1.26 -4.98 115.26 108.78 1b38 n ASN 74 Ca -0.12 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.88 1b38 n ASN 74 Cb 0.31 -0.54 -0.13 0.00 -1.54 0.00 0.00 39.78 37.88 1b38 n ASN 74 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1b38 s LYS 75 N -0.20 1.32 -0.11 3.52 -2.85 0.45 -4.04 119.74 117.83 1b38 s LYS 75 Ca 0.00 -1.18 0.03 0.00 -1.00 0.00 0.00 55.97 53.82 1b38 s LYS 75 Cb 0.00 -1.62 -0.00 0.00 -2.06 0.00 0.00 37.83 34.14 1b38 s LYS 75 CO 0.00 0.39 -0.22 -1.17 0.10 0.00 0.00 175.35 174.45 1b38 s LEU 76 N -1.77 2.22 -0.11 2.77 2.96 -1.26 -0.28 118.68 123.21 1b38 s LEU 76 Ca 0.09 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1b38 s LEU 76 Cb -0.10 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1b38 s LEU 76 CO 0.04 0.16 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.79 1b38 s TYR 77 N 0.33 1.86 -0.19 5.38 1.51 0.33 -1.53 117.35 125.04 1b38 s TYR 77 Ca -0.17 -0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 54.92 1b38 s TYR 77 Cb -0.18 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1b38 s TYR 77 CO 0.08 -0.49 0.06 -0.51 -1.11 0.00 0.00 175.55 173.58 1b38 s LEU 78 N 1.16 3.71 -0.28 -1.29 1.43 0.19 -0.27 118.68 123.33 1b38 s LEU 78 Ca -0.03 0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1b38 s LEU 78 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1b38 s LEU 78 CO -0.04 0.14 0.11 -0.69 0.23 0.00 0.00 176.35 176.10 1b38 s VAL 79 N 0.59 4.50 0.23 -1.59 1.01 0.10 0.46 120.40 125.71 1b38 s VAL 79 Ca 0.03 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1b38 s VAL 79 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1b38 s VAL 79 CO 0.01 0.22 -0.12 -0.36 0.00 0.00 0.00 175.10 174.85 1b38 s PHE 80 N 1.62 2.50 0.45 5.22 0.08 0.01 0.10 117.98 127.97 1b38 s PHE 80 Ca 0.06 -0.27 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 1b38 s PHE 80 Cb -0.16 -1.15 -0.08 0.00 -0.57 0.00 0.00 43.02 41.05 1b38 s PHE 80 CO 0.05 0.60 1.39 -1.91 -0.10 0.00 0.00 175.22 175.25 1b38 n GLU 81 N -0.37 2.14 -3.74 0.44 2.13 0.18 -0.77 120.64 120.64 1b38 n GLU 81 Ca -0.08 0.76 -0.36 0.00 0.66 0.00 0.00 57.16 58.14 1b38 n GLU 81 Cb 0.58 -2.57 -0.07 0.00 0.27 0.00 0.00 31.44 29.65 1b38 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1b38 s PHE 82 N -1.20 3.51 0.16 4.31 5.36 -1.26 -4.46 117.98 124.40 1b38 s PHE 82 Ca 0.62 0.49 0.08 0.00 -0.96 0.00 0.00 56.93 57.16 1b38 s PHE 82 Cb -0.46 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.07 1b38 s PHE 82 CO 0.57 0.48 -0.17 -0.51 -1.46 0.00 0.00 175.22 174.13 1b38 s LEU 83 N -0.27 2.44 0.17 6.12 1.02 -1.26 -4.99 118.68 121.91 1b38 s LEU 83 Ca 0.13 -0.87 0.26 0.00 0.02 0.00 0.00 54.13 53.67 1b38 s LEU 83 Cb -0.12 -0.77 0.72 0.00 0.02 0.00 0.00 46.19 46.04 1b38 s LEU 83 CO 0.02 -0.06 1.67 1.41 0.02 0.00 0.00 176.35 179.41 1b38 n HIS 84 N 0.26 0.77 -3.61 0.29 8.25 -1.24 -4.88 115.22 115.07 1b38 n HIS 84 Ca -0.13 0.23 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1b38 n HIS 84 Cb 0.57 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 1b38 n HIS 84 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1b38 s GLN 85 N -3.11 1.00 0.36 -0.41 0.74 -1.22 -5.04 119.66 111.99 1b38 s GLN 85 Ca 0.10 -0.32 0.08 0.00 0.05 0.00 0.00 55.36 55.27 1b38 s GLN 85 Cb 0.13 0.45 -0.02 0.00 1.10 0.00 0.00 33.01 34.67 1b38 s GLN 85 CO 0.62 -0.36 0.32 0.16 -0.55 0.00 0.00 175.29 175.48 1b38 s ASP 86 N -2.06 5.24 0.38 6.67 1.47 -1.26 -0.25 116.67 126.86 1b38 s ASP 86 Ca -0.05 -0.56 0.19 0.00 1.18 0.00 0.00 52.55 53.32 1b38 s ASP 86 Cb -0.01 -0.87 0.66 0.00 -0.34 0.00 0.00 42.92 42.37 1b38 s ASP 86 CO -0.03 -0.44 1.72 0.25 0.68 0.00 0.00 175.17 177.36 1b38 h LEU 87 N 1.18 0.00 -0.02 2.11 5.85 -0.84 -2.10 115.31 121.48 1b38 h LEU 87 Ca -0.44 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1b38 h LEU 87 Cb 1.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1b38 h LEU 87 CO 0.58 0.36 0.00 0.50 -0.34 0.00 0.00 178.44 179.54 1b38 h LYS 88 N 0.00 0.04 -1.00 1.25 1.63 -1.84 -0.78 116.57 115.86 1b38 h LYS 88 Ca -0.00 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1b38 h LYS 88 Cb 0.92 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.47 1b38 h LYS 88 CO 0.05 0.31 0.65 0.87 -3.45 0.00 0.00 179.45 177.88 1b38 h LYS 89 N -0.24 1.14 -0.54 1.90 1.57 -1.90 -0.45 116.57 118.05 1b38 h LYS 89 Ca 0.01 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1b38 h LYS 89 Cb 0.30 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1b38 h LYS 89 CO 0.00 0.75 0.04 0.35 -0.57 0.00 0.00 179.45 180.02 1b38 h PHE 90 N 1.17 1.00 0.16 -1.35 3.57 -1.07 -0.84 116.94 119.59 1b38 h PHE 90 Ca 0.43 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1b38 h PHE 90 Cb 0.18 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1b38 h PHE 90 CO -0.00 0.91 -0.07 0.52 -2.23 0.00 0.00 178.31 177.43 1b38 h MET 91 N 0.81 -0.20 -0.22 1.11 2.86 -0.86 -0.52 114.93 117.92 1b38 h MET 91 Ca 0.16 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 1b38 h MET 91 Cb 0.48 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 1b38 h MET 91 CO 0.02 -0.11 -0.08 -0.44 1.06 0.00 0.00 176.91 177.35 1b38 h ASP 92 N -0.23 -0.29 0.07 1.22 3.32 -1.03 -1.73 116.42 117.74 1b38 h ASP 92 Ca -0.02 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1b38 h ASP 92 Cb 0.18 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1b38 h ASP 92 CO 0.04 -0.11 -0.03 0.00 -1.72 0.00 0.00 179.24 177.42 1b38 h ALA 93 N 1.15 1.52 -0.52 3.45 0.00 -1.02 -2.53 119.26 121.31 1b38 h ALA 93 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b38 h ALA 93 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1b38 h ALA 93 CO -0.25 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.47 1b38 n SER 94 N -3.87 4.04 -0.36 0.00 7.64 -0.21 -4.70 113.62 116.15 1b38 n SER 94 Ca -0.03 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1b38 n SER 94 Cb 0.12 -0.47 0.15 0.00 -1.01 0.00 0.00 64.21 62.99 1b38 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b38 h ALA 95 N 3.23 1.35 -0.61 -0.43 0.00 -0.88 2.21 119.26 124.13 1b38 h ALA 95 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1b38 h ALA 95 Cb 1.20 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1b38 h ALA 95 CO 0.14 0.56 0.18 -0.07 0.00 0.00 0.00 179.25 180.06 1b38 h LEU 96 N 1.27 0.85 0.00 0.00 4.07 -1.84 -3.30 115.31 116.36 1b38 h LEU 96 Ca 0.39 -0.15 -0.08 0.00 0.08 0.00 0.00 57.88 58.13 1b38 h LEU 96 Cb -0.02 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 1b38 h LEU 96 CO -0.12 0.81 -1.73 0.35 -1.08 0.00 0.00 178.44 176.68 1b38 n THR 97 N -4.28 0.30 0.00 0.22 -2.24 -1.04 -5.13 114.28 102.11 1b38 n THR 97 Ca 0.05 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1b38 n THR 97 Cb 0.21 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1b38 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b38 n GLY 98 N 1.87 -2.78 3.71 3.38 0.00 0.74 -4.86 105.19 107.25 1b38 n GLY 98 Ca -0.09 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1b38 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b38 s ILE 99 N -3.66 3.40 0.59 -0.61 1.01 -1.26 -4.93 121.20 115.75 1b38 s ILE 99 Ca 0.00 0.97 -0.20 0.00 0.00 0.00 0.00 60.65 61.42 1b38 s ILE 99 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1b38 s ILE 99 CO 0.00 0.06 1.33 -2.84 0.00 0.00 0.00 174.94 173.49 1b38 s PRO 100 N 1.42 2.87 0.21 2.79 0.02 -1.26 -4.75 135.00 136.30 1b38 s PRO 100 Ca 0.65 2.15 -0.10 0.00 0.02 0.00 0.00 61.00 63.72 1b38 s PRO 100 Cb -0.36 -2.06 0.29 0.00 0.02 0.00 0.00 34.50 32.39 1b38 s PRO 100 CO 0.30 -1.38 1.72 1.25 -0.33 0.00 0.00 177.00 178.55 1b38 h LEU 101 N 1.03 0.06 -1.47 -5.54 5.85 -1.99 -1.06 115.31 112.20 1b38 h LEU 101 Ca -0.51 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1b38 h LEU 101 Cb 1.32 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 1b38 h LEU 101 CO 0.55 0.04 0.43 -0.65 -0.34 0.00 0.00 178.44 178.47 1b38 h PRO 102 N 0.30 0.62 -0.08 5.25 0.11 -1.99 0.44 132.00 136.66 1b38 h PRO 102 Ca 0.31 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.20 1b38 h PRO 102 Cb 0.45 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1b38 h PRO 102 CO -0.38 0.41 -0.73 1.25 -0.21 0.00 0.00 178.00 178.34 1b38 h LEU 103 N 0.64 0.48 -0.19 2.35 5.85 -1.58 -1.92 115.31 120.95 1b38 h LEU 103 Ca 0.28 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1b38 h LEU 103 Cb 0.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1b38 h LEU 103 CO -0.09 1.06 0.11 0.40 -0.34 0.00 0.00 178.44 179.58 1b38 h ILE 104 N 0.28 1.09 -0.34 4.05 2.04 -0.56 0.05 117.51 124.11 1b38 h ILE 104 Ca -0.03 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1b38 h ILE 104 Cb 1.31 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1b38 h ILE 104 CO 0.13 0.08 0.17 0.50 0.00 0.00 0.00 178.15 179.03 1b38 h LYS 105 N 0.22 0.48 -0.86 2.37 3.64 -0.90 -0.57 116.57 120.94 1b38 h LYS 105 Ca 0.07 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1b38 h LYS 105 Cb 0.04 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1b38 h LYS 105 CO -0.01 0.43 0.50 1.03 -2.27 0.00 0.00 179.45 179.12 1b38 h SER 106 N 0.41 1.05 -0.31 4.20 0.87 -1.16 -0.87 113.55 117.74 1b38 h SER 106 Ca 0.12 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 1b38 h SER 106 Cb 0.10 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1b38 h SER 106 CO -0.02 0.82 -0.12 1.88 -0.53 0.00 0.00 176.83 178.87 1b38 h TYR 107 N 1.19 0.71 -0.69 2.24 0.05 -0.68 -1.41 116.97 118.38 1b38 h TYR 107 Ca 0.31 -0.17 -0.06 0.00 0.05 0.00 0.00 58.73 58.86 1b38 h TYR 107 Cb -0.02 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 1b38 h TYR 107 CO 0.01 0.83 0.19 1.25 -1.05 0.00 0.00 178.16 179.39 1b38 h LEU 108 N 0.39 1.01 -0.47 3.88 5.85 -0.99 0.06 115.31 125.05 1b38 h LEU 108 Ca 0.07 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1b38 h LEU 108 Cb 0.63 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1b38 h LEU 108 CO 0.04 0.96 0.21 0.15 -0.34 0.00 0.00 178.44 179.46 1b38 h PHE 109 N 1.03 0.68 -0.36 1.25 3.57 -0.93 -0.44 116.94 121.75 1b38 h PHE 109 Ca 0.22 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 1b38 h PHE 109 Cb 0.33 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1b38 h PHE 109 CO 0.02 0.56 -0.23 1.96 -2.23 0.00 0.00 178.31 178.39 1b38 h GLN 110 N 0.61 0.79 -0.69 1.11 4.20 -0.96 -1.10 115.11 119.07 1b38 h GLN 110 Ca 0.16 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 1b38 h GLN 110 Cb 0.14 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1b38 h GLN 110 CO -0.02 1.00 0.20 -0.07 -0.67 0.00 0.00 178.83 179.27 1b38 h LEU 111 N 0.57 1.01 -1.01 1.46 3.38 -0.89 0.51 115.31 120.35 1b38 h LEU 111 Ca 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1b38 h LEU 111 Cb 0.79 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1b38 h LEU 111 CO 0.06 0.96 0.50 -0.07 0.09 0.00 0.00 178.44 179.99 1b38 h LEU 112 N 1.01 1.06 -0.57 1.67 3.38 -0.85 0.50 115.31 121.50 1b38 h LEU 112 Ca 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1b38 h LEU 112 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1b38 h LEU 112 CO -0.00 0.82 0.22 1.56 0.09 0.00 0.00 178.44 181.13 1b38 h GLN 113 N 1.20 0.85 -0.17 1.13 4.20 -0.70 0.13 115.11 121.75 1b38 h GLN 113 Ca 0.31 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1b38 h GLN 113 Cb -0.02 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1b38 h GLN 113 CO -0.05 0.74 -0.02 0.78 -0.67 0.00 0.00 178.83 179.61 1b38 h GLY 114 N 0.78 0.15 1.00 3.46 0.00 -0.09 -2.46 103.07 105.91 1b38 h GLY 114 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1b38 h GLY 114 CO -0.01 -0.05 0.36 1.41 0.00 0.00 0.00 176.54 178.25 1b38 h LEU 115 N 0.03 0.76 -1.47 3.11 3.38 -0.67 -1.83 115.31 118.63 1b38 h LEU 115 Ca 0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1b38 h LEU 115 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1b38 h LEU 115 CO -0.15 0.62 0.06 0.00 0.09 0.00 0.00 178.44 179.06 1b38 h ALA 116 N 1.17 1.58 0.02 1.53 0.00 -0.57 0.06 119.26 123.05 1b38 h ALA 116 Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b38 h ALA 116 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1b38 h ALA 116 CO -0.04 0.32 -0.01 0.35 0.00 0.00 0.00 179.25 179.87 1b38 h PHE 117 N 0.40 -0.02 -0.38 0.00 3.57 -0.87 -0.38 116.94 119.26 1b38 h PHE 117 Ca 0.10 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1b38 h PHE 117 Cb 0.18 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1b38 h PHE 117 CO 0.01 0.37 0.06 0.00 -2.23 0.00 0.00 178.31 176.51 1b38 h HIS 119 N 0.48 0.78 0.00 0.00 3.86 -0.99 0.24 115.15 119.52 1b38 h HIS 119 Ca 0.12 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1b38 h HIS 119 Cb 0.38 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1b38 h HIS 119 CO 0.03 0.64 0.00 0.66 0.86 0.00 0.00 177.93 180.12 1b38 h SER 120 N 0.75 0.00 -0.61 2.45 4.64 -0.78 0.09 113.55 120.09 1b38 h SER 120 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1b38 h SER 120 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1b38 h SER 120 CO -0.01 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.36 1b38 n HIS 121 N -2.96 1.57 -3.01 4.77 8.25 -0.87 -4.95 115.22 118.03 1b38 n HIS 121 Ca 0.01 -0.60 -0.22 0.00 -0.26 0.00 0.00 57.72 56.64 1b38 n HIS 121 Cb 0.30 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 31.14 1b38 n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1b38 n ARG 122 N 0.98 -4.52 -4.82 -0.41 5.12 0.02 -4.97 116.66 108.05 1b38 n ARG 122 Ca 0.25 0.87 -0.33 0.00 -1.93 0.00 0.00 57.85 56.71 1b38 n ARG 122 Cb 0.93 -5.71 -0.14 0.00 -1.16 0.00 0.00 32.46 26.39 1b38 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1b38 s VAL 123 N -3.14 3.09 0.09 1.55 1.01 0.78 -4.98 120.40 118.80 1b38 s VAL 123 Ca 0.29 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1b38 s VAL 123 Cb -0.13 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1b38 s VAL 123 CO 0.36 0.56 -0.10 -0.76 0.00 0.00 0.00 175.10 175.16 1b38 s LEU 124 N -0.24 3.02 -0.08 3.92 1.43 -1.26 -3.37 118.68 122.11 1b38 s LEU 124 Ca 0.01 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.65 1b38 s LEU 124 Cb -0.13 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1b38 s LEU 124 CO 0.03 0.19 0.34 -0.74 0.23 0.00 0.00 176.35 176.40 1b38 h HIS 125 N 3.76 -0.19 0.00 0.29 -0.00 -1.95 -3.32 115.15 113.74 1b38 h HIS 125 Ca -0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1b38 h HIS 125 Cb 1.17 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 1b38 h HIS 125 CO 0.60 -0.03 0.00 -2.13 -0.00 0.00 0.00 177.93 176.36 1b38 n ARG 126 N -4.91 0.00 -2.68 5.26 0.00 -1.26 -4.14 116.66 108.94 1b38 n ARG 126 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.73 1b38 n ARG 126 Cb 0.12 -0.47 0.03 0.00 0.00 0.00 0.00 32.46 32.15 1b38 n ARG 126 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1b38 n ASP 127 N 0.04 1.63 -4.77 6.15 2.03 -1.26 -5.01 116.55 115.35 1b38 n ASP 127 Ca 0.00 -2.64 -0.40 0.00 0.52 0.00 0.00 54.79 52.27 1b38 n ASP 127 Cb 0.00 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 1b38 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1b38 s LEU 128 N -3.27 4.41 0.04 -2.67 1.43 -1.26 -4.92 118.68 112.44 1b38 s LEU 128 Ca 0.28 2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 55.72 1b38 s LEU 128 Cb 0.43 -3.69 0.09 0.00 0.03 0.00 0.00 46.19 43.06 1b38 s LEU 128 CO 0.02 -0.52 0.89 -1.59 0.23 0.00 0.00 176.35 175.37 1b38 s LYS 129 N -1.82 0.93 0.36 1.70 -2.85 -1.26 -4.79 119.74 112.01 1b38 s LYS 129 Ca 0.49 -0.39 0.10 0.00 -1.00 0.00 0.00 55.97 55.17 1b38 s LYS 129 Cb -0.38 0.40 0.84 0.00 -2.06 0.00 0.00 37.83 36.62 1b38 s LYS 129 CO 0.50 -0.41 1.86 -1.35 0.10 0.00 0.00 175.35 176.05 1b38 h PRO 130 N 2.00 0.65 0.00 1.78 0.11 -1.94 -0.95 132.00 133.65 1b38 h PRO 130 Ca -0.23 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1b38 h PRO 130 Cb 1.24 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1b38 h PRO 130 CO 0.30 0.43 -0.02 1.96 -0.21 0.00 0.00 178.00 180.46 1b38 h GLN 131 N 0.67 0.00 -0.66 1.05 7.50 -1.95 -2.05 115.11 119.66 1b38 h GLN 131 Ca 0.46 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.61 1b38 h GLN 131 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.30 1b38 h GLN 131 CO -0.21 0.02 0.00 0.09 -1.50 0.00 0.00 178.83 177.23 1b38 n ASN 132 N -3.17 4.20 -4.00 1.46 3.02 -0.36 -4.81 115.26 111.61 1b38 n ASN 132 Ca -0.01 -2.28 -0.31 0.00 -0.03 0.00 0.00 54.58 51.95 1b38 n ASN 132 Cb 0.20 -0.53 -0.15 0.00 -0.61 0.00 0.00 39.78 38.70 1b38 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b38 s LEU 133 N -1.50 3.23 0.02 3.41 1.43 -0.79 -0.49 118.68 123.99 1b38 s LEU 133 Ca 0.47 -1.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1b38 s LEU 133 Cb 0.28 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1b38 s LEU 133 CO 0.26 -0.24 0.01 -0.76 0.23 0.00 0.00 176.35 175.84 1b38 s LEU 134 N 1.21 3.53 0.20 1.79 1.43 0.02 -0.97 118.68 125.89 1b38 s LEU 134 Ca -0.04 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1b38 s LEU 134 Cb -0.19 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1b38 s LEU 134 CO -0.07 0.25 -0.15 0.27 0.23 0.00 0.00 176.35 176.89 1b38 s ILE 135 N -1.15 1.72 0.21 -0.59 -4.36 0.65 -1.10 121.20 116.58 1b38 s ILE 135 Ca 0.21 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1b38 s ILE 135 Cb -0.12 -2.01 -0.00 0.00 1.25 0.00 0.00 42.46 41.59 1b38 s ILE 135 CO 0.12 -0.57 0.03 -0.46 0.24 0.00 0.00 174.94 174.30 1b38 n ASN 136 N -0.29 1.94 0.16 4.36 0.23 -1.13 -3.38 115.26 117.14 1b38 n ASN 136 Ca -0.09 -1.99 0.13 0.00 -0.53 0.00 0.00 54.58 52.10 1b38 n ASN 136 Cb 0.60 0.30 0.40 0.00 -2.08 0.00 0.00 39.78 39.00 1b38 n ASN 136 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1b38 h THR 137 N 1.20 0.00 0.00 5.53 1.35 -1.95 -3.16 112.91 115.89 1b38 h THR 137 Ca -0.17 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1b38 h THR 137 Cb 0.56 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1b38 h THR 137 CO 0.28 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.93 1b38 n GLU 138 N -2.55 0.05 -0.05 4.72 -0.58 -1.26 -4.52 120.64 116.45 1b38 n GLU 138 Ca 0.04 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1b38 n GLU 138 Cb 0.40 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1b38 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b38 n GLY 139 N 1.36 0.67 3.89 0.62 0.00 -1.19 -4.75 105.19 105.78 1b38 n GLY 139 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1b38 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b38 s ALA 140 N -2.06 3.30 -0.07 4.61 0.00 -1.26 -4.89 121.76 121.38 1b38 s ALA 140 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 1b38 s ALA 140 Cb 0.00 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.38 1b38 s ALA 140 CO 0.00 -0.37 0.19 -1.50 0.00 0.00 0.00 175.76 174.07 1b38 s ILE 141 N -2.79 -0.00 0.09 0.00 2.07 -1.26 -2.85 121.20 116.46 1b38 s ILE 141 Ca 0.51 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.80 1b38 s ILE 141 Cb -0.10 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 1b38 s ILE 141 CO 0.44 0.00 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.82 1b38 s LYS 142 N 0.16 0.83 -0.20 3.50 1.02 -0.26 -4.64 119.74 120.15 1b38 s LYS 142 Ca -0.00 -1.07 -0.22 0.00 0.02 0.00 0.00 55.97 54.69 1b38 s LYS 142 Cb -0.02 -0.62 -0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1b38 s LYS 142 CO -0.00 0.11 0.71 -0.51 -0.92 0.00 0.00 175.35 174.74 1b38 s LEU 143 N -2.18 4.14 0.26 3.17 1.43 -0.17 -0.80 118.68 124.53 1b38 s LEU 143 Ca 0.02 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1b38 s LEU 143 Cb -0.06 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1b38 s LEU 143 CO 0.01 -0.34 0.46 0.00 0.23 0.00 0.00 176.35 176.70 1b38 s ALA 144 N 2.14 3.77 -1.91 4.21 0.00 0.36 -1.73 121.76 128.60 1b38 s ALA 144 Ca 0.32 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1b38 s ALA 144 Cb -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1b38 s ALA 144 CO 0.10 0.26 0.00 -0.25 0.00 0.00 0.00 175.76 175.88 1b38 n ASP 145 N -1.07 -5.65 -4.71 0.00 8.00 -1.26 -4.85 116.55 107.01 1b38 n ASP 145 Ca -0.05 0.19 -0.43 0.00 0.71 0.00 0.00 54.79 55.22 1b38 n ASP 145 Cb 0.55 -4.78 -0.03 0.00 -0.02 0.00 0.00 41.12 36.84 1b38 n ASP 145 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1b38 n PHE 146 N -3.36 2.60 0.00 1.24 -0.00 -1.26 -2.79 117.46 113.88 1b38 n PHE 146 Ca -0.23 0.23 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1b38 n PHE 146 Cb 0.68 -2.58 0.00 0.00 -0.00 0.00 0.00 39.48 37.57 1b38 n PHE 146 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1b38 n GLY 147 N 2.89 2.58 0.24 7.13 0.00 -1.25 -4.91 105.19 111.87 1b38 n GLY 147 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1b38 n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b38 h LEU 148 N 0.00 0.28 -0.65 0.99 3.38 -1.81 -2.61 115.31 114.89 1b38 h LEU 148 Ca 0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1b38 h LEU 148 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1b38 h LEU 148 CO 0.00 0.46 -0.04 0.00 0.09 0.00 0.00 178.44 178.94 1b38 h ALA 149 N 1.58 0.86 -0.13 1.53 0.00 -1.81 -1.01 119.26 120.28 1b38 h ALA 149 Ca 0.05 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 1b38 h ALA 149 Cb 0.43 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1b38 h ALA 149 CO 0.03 0.66 -0.76 -0.09 0.00 0.00 0.00 179.25 179.08 1b38 h ARG 150 N 0.91 0.66 -0.14 0.00 2.43 -1.84 -0.90 114.38 115.50 1b38 h ARG 150 Ca 0.16 -0.54 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 1b38 h ARG 150 Cb 0.59 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1b38 h ARG 150 CO 0.04 1.16 -0.33 0.00 -1.51 0.00 0.00 179.97 179.33 1b38 h ALA 151 N 0.69 1.19 0.00 2.80 0.00 -1.20 -3.39 119.26 119.34 1b38 h ALA 151 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1b38 h ALA 151 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1b38 h ALA 151 CO 0.15 0.54 -0.68 1.19 0.00 0.00 0.00 179.25 180.45 1b38 n PHE 152 N -4.09 0.00 0.00 0.00 3.72 -0.40 -4.14 117.46 112.54 1b38 n PHE 152 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1b38 n PHE 152 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1b38 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b38 n GLY 153 N 1.95 2.70 2.95 1.37 0.00 -0.35 -5.00 105.19 108.82 1b38 n GLY 153 Ca 0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1b38 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b38 s VAL 154 N -2.13 2.39 0.60 1.61 1.01 -1.26 -4.79 120.40 117.82 1b38 s VAL 154 Ca 0.00 -2.97 -0.18 0.00 0.00 0.00 0.00 61.98 58.83 1b38 s VAL 154 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1b38 s VAL 154 CO 0.00 -0.75 1.20 -2.16 0.00 0.00 0.00 175.10 173.39 1b38 s PRO 155 N 0.11 2.94 0.39 2.72 0.04 -1.26 -4.94 135.00 135.00 1b38 s PRO 155 Ca 0.15 1.80 0.12 0.00 0.04 0.00 0.00 61.00 63.12 1b38 s PRO 155 Cb -0.24 -1.93 0.78 0.00 0.04 0.00 0.00 34.50 33.15 1b38 s PRO 155 CO -0.03 -1.22 1.87 0.28 0.04 0.00 0.00 177.00 177.94 1b38 h VAL 156 N 0.81 1.23 -3.33 -0.36 2.07 -1.99 -3.42 116.25 111.26 1b38 h VAL 156 Ca -0.50 -1.08 -0.66 0.00 0.82 0.00 0.00 66.70 65.28 1b38 h VAL 156 Cb 1.29 1.56 -0.19 0.00 -1.52 0.00 0.00 31.29 32.44 1b38 h VAL 156 CO 0.55 0.31 -0.82 -0.13 0.02 0.00 0.00 177.57 177.50 1b38 s ARG 157 N -4.35 1.56 1.14 1.57 1.81 -1.26 -1.80 118.95 117.62 1b38 s ARG 157 Ca -0.03 -1.45 -0.17 0.00 -1.72 0.00 0.00 55.73 52.35 1b38 s ARG 157 Cb 0.15 -1.90 0.26 0.00 -0.45 0.00 0.00 34.95 33.01 1b38 s ARG 157 CO 0.72 0.42 1.10 0.95 -0.68 0.00 0.00 175.30 177.80 1b38 s THR 158 N -1.54 1.74 0.40 0.02 -4.23 0.40 -4.80 115.64 107.64 1b38 s THR 158 Ca 0.20 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.83 1b38 s THR 158 Cb -0.08 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.44 1b38 s THR 158 CO 0.10 0.00 1.92 0.10 -0.54 0.00 0.00 174.62 176.19 1b38 h TYR 159 N -2.38 0.09 -0.09 3.99 -0.00 -1.36 0.56 116.97 117.77 1b38 h TYR 159 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.23 1b38 h TYR 159 Cb 1.31 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 1b38 h TYR 159 CO -1.23 0.30 0.00 0.25 -0.00 0.00 0.00 178.16 177.48 1b38 n THR 160 N -4.24 0.27 -0.30 -0.90 -2.24 -1.26 -4.88 114.28 100.73 1b38 n THR 160 Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1b38 n THR 160 Cb 0.30 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1b38 n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1b38 n HIS 161 N -0.04 0.00 -1.39 4.78 8.25 0.20 -4.95 115.22 122.06 1b38 n HIS 161 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 1b38 n HIS 161 Cb 0.24 -1.12 0.09 0.00 1.12 0.00 0.00 29.99 30.33 1b38 n HIS 161 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1b38 n GLU 162 N -2.00 0.59 -2.67 -0.41 2.13 -1.26 -4.26 120.64 112.76 1b38 n GLU 162 Ca 0.00 0.26 -0.38 0.00 0.66 0.00 0.00 57.16 57.70 1b38 n GLU 162 Cb 0.00 -2.38 -0.05 0.00 0.27 0.00 0.00 31.44 29.27 1b38 n GLU 162 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1b38 s VAL 163 N -1.78 3.94 0.04 6.31 1.01 -1.26 0.15 120.40 128.81 1b38 s VAL 163 Ca 0.76 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 64.16 1b38 s VAL 163 Cb -0.34 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1b38 s VAL 163 CO 0.47 0.24 1.17 -0.69 0.00 0.00 0.00 175.10 176.29 1b38 s VAL 164 N -1.44 4.19 0.07 2.92 1.01 -0.75 -4.80 120.40 121.60 1b38 s VAL 164 Ca 0.49 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.72 1b38 s VAL 164 Cb -0.23 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1b38 s VAL 164 CO 0.30 0.11 1.29 0.28 0.00 0.00 0.00 175.10 177.07 1b38 s THR 165 N 1.21 3.74 -1.65 3.92 -1.32 -1.26 -4.89 115.64 115.39 1b38 s THR 165 Ca 0.57 1.23 0.20 0.00 -1.21 0.00 0.00 61.69 62.49 1b38 s THR 165 Cb -0.28 -3.79 -0.06 0.00 -1.51 0.00 0.00 72.50 66.87 1b38 s THR 165 CO 0.28 0.08 0.97 0.18 -2.21 0.00 0.00 174.62 173.93 1b38 n LEU 166 N 4.14 1.69 -0.17 9.08 4.77 -1.26 -4.66 117.00 130.58 1b38 n LEU 166 Ca 0.10 -0.70 0.24 0.00 -0.03 0.00 0.00 56.01 55.62 1b38 n LEU 166 Cb 0.45 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.18 1b38 n LEU 166 CO 0.57 0.33 1.24 -0.50 -1.33 0.00 0.00 177.39 177.69 1b38 h TRP 167 N 1.73 0.18 -0.37 -1.77 4.06 -1.82 -1.90 115.95 116.06 1b38 h TRP 167 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1b38 h TRP 167 Cb 0.64 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1b38 h TRP 167 CO 0.00 0.05 0.00 0.66 -3.56 0.00 0.00 178.44 175.59 1b38 n TYR 168 N -4.37 0.49 -2.71 0.49 4.01 -1.26 -4.54 117.16 109.27 1b38 n TYR 168 Ca 0.17 -0.45 -0.41 0.00 -0.16 0.00 0.00 57.90 57.05 1b38 n TYR 168 Cb 0.81 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.79 1b38 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1b38 s ARG 169 N -1.01 4.65 0.60 -0.72 3.52 -0.71 -3.87 118.95 121.40 1b38 s ARG 169 Ca 0.26 1.46 -0.18 0.00 -0.13 0.00 0.00 55.73 57.14 1b38 s ARG 169 Cb 0.14 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1b38 s ARG 169 CO 0.18 0.12 1.15 0.00 -0.81 0.00 0.00 175.30 175.95 1b38 s ALA 170 N 0.31 2.55 0.35 6.12 0.00 -1.26 -4.88 121.76 124.95 1b38 s ALA 170 Ca 0.49 0.82 0.11 0.00 0.00 0.00 0.00 51.96 53.38 1b38 s ALA 170 Cb -0.23 -3.39 0.65 0.00 0.00 0.00 0.00 23.12 20.15 1b38 s ALA 170 CO 0.29 -1.09 1.79 -1.00 0.00 0.00 0.00 175.76 175.76 1b38 h PRO 171 N 0.73 0.05 -0.40 0.00 0.13 -1.95 -2.32 132.00 128.24 1b38 h PRO 171 Ca -0.49 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1b38 h PRO 171 Cb 1.27 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1b38 h PRO 171 CO 0.55 0.43 0.06 1.05 -0.23 0.00 0.00 178.00 179.87 1b38 h GLU 172 N 0.04 0.60 -0.03 0.86 9.09 -1.91 0.18 114.58 123.41 1b38 h GLU 172 Ca 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 59.36 59.29 1b38 h GLU 172 Cb 0.71 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.72 1b38 h GLU 172 CO 0.05 0.58 -0.00 0.82 0.05 0.00 0.00 179.01 180.51 1b38 h ILE 173 N 0.58 1.28 -0.48 -1.06 2.04 -1.70 -0.98 117.51 117.19 1b38 h ILE 173 Ca 0.13 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1b38 h ILE 173 Cb 0.28 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1b38 h ILE 173 CO 0.00 0.23 0.31 -0.07 0.00 0.00 0.00 178.15 178.62 1b38 h LEU 174 N -0.30 0.56 -0.10 1.44 3.38 -1.16 0.98 115.31 120.11 1b38 h LEU 174 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b38 h LEU 174 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1b38 h LEU 174 CO 0.00 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.13 1b38 n LEU 175 N -4.45 0.15 0.00 1.67 4.77 0.58 -4.82 117.00 114.90 1b38 n LEU 175 Ca 0.04 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1b38 n LEU 175 Cb 0.06 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1b38 n LEU 175 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1b38 n GLY 176 N 0.68 0.63 3.70 -0.72 0.00 0.34 -0.91 105.19 108.92 1b38 n GLY 176 Ca 0.08 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1b38 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b38 h LYS 178 N 7.28 0.26 -1.21 0.00 6.56 -1.94 -3.39 116.57 124.13 1b38 h LYS 178 Ca -0.41 -0.45 -0.64 0.00 -1.06 0.00 0.00 60.65 58.10 1b38 h LYS 178 Cb 1.20 0.17 -0.36 0.00 -0.57 0.00 0.00 32.23 32.67 1b38 h LYS 178 CO 0.89 1.18 0.05 0.66 -2.06 0.00 0.00 179.45 180.16 1b38 n TYR 179 N -3.50 3.07 -1.00 -1.35 4.01 -1.26 -5.07 117.16 112.06 1b38 n TYR 179 Ca -0.11 -2.66 -0.30 0.00 -0.16 0.00 0.00 57.90 54.67 1b38 n TYR 179 Cb 1.03 -0.78 0.15 0.00 -0.31 0.00 0.00 39.34 39.44 1b38 n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1b38 s TYR 180 N -3.74 2.06 0.00 -0.72 -0.85 -1.26 -5.05 117.35 107.78 1b38 s TYR 180 Ca 0.55 1.41 0.00 0.00 -0.52 0.00 0.00 57.07 58.50 1b38 s TYR 180 Cb 0.44 -3.17 0.00 0.00 0.38 0.00 0.00 41.96 39.61 1b38 s TYR 180 CO -0.10 -2.63 0.00 -1.13 -1.52 0.00 0.00 175.55 170.17 1b38 n SER 181 N -4.07 0.23 0.14 -0.18 3.41 -1.26 -4.98 113.62 106.92 1b38 n SER 181 Ca 0.08 -0.94 0.12 0.00 -0.26 0.00 0.00 58.87 57.87 1b38 n SER 181 Cb 0.54 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.02 1b38 n SER 181 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b38 n THR 182 N -0.83 0.91 0.32 6.66 -2.24 -1.26 -1.04 114.28 116.79 1b38 n THR 182 Ca 0.00 0.41 0.21 0.00 -2.27 0.00 0.00 64.05 62.40 1b38 n THR 182 Cb 0.00 -1.37 1.05 0.00 -2.10 0.00 0.00 70.33 67.91 1b38 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b38 h ALA 183 N 2.17 1.00 0.00 6.98 0.00 -1.94 -1.89 119.26 125.59 1b38 h ALA 183 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1b38 h ALA 183 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1b38 h ALA 183 CO 0.00 0.00 -0.49 -0.39 0.00 0.00 0.00 179.25 178.37 1b38 h VAL 184 N 0.00 1.28 0.00 0.00 -1.51 -1.47 -2.25 116.25 112.30 1b38 h VAL 184 Ca 0.00 -1.72 -0.09 0.00 -1.23 0.00 0.00 66.70 63.66 1b38 h VAL 184 Cb 0.16 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1b38 h VAL 184 CO 0.00 0.48 -0.45 0.44 -1.23 0.00 0.00 177.57 176.81 1b38 h ASP 185 N 0.00 0.00 -0.10 4.19 3.32 -1.55 -2.33 116.42 119.95 1b38 h ASP 185 Ca -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1b38 h ASP 185 Cb 0.90 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.46 1b38 h ASP 185 CO 0.06 0.45 -0.81 0.40 -1.72 0.00 0.00 179.24 177.62 1b38 h ILE 186 N 0.00 1.28 0.57 0.35 1.08 -1.49 -1.12 117.51 118.18 1b38 h ILE 186 Ca -0.00 -2.02 -0.02 0.00 -0.39 0.00 0.00 64.86 62.42 1b38 h ILE 186 Cb 1.14 2.04 -0.00 0.00 -3.07 0.00 0.00 36.82 36.92 1b38 h ILE 186 CO 0.06 0.64 -0.33 -0.25 -0.69 0.00 0.00 178.15 177.58 1b38 h TRP 187 N 0.50 -0.86 -0.33 1.37 2.91 -1.29 -0.31 115.95 117.94 1b38 h TRP 187 Ca -0.06 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.02 1b38 h TRP 187 Cb 1.44 0.30 -0.08 0.00 -0.51 0.00 0.00 29.16 30.31 1b38 h TRP 187 CO 0.08 -0.51 -0.37 0.77 -1.03 0.00 0.00 178.44 177.39 1b38 h SER 188 N -0.84 -1.20 -0.46 2.65 0.02 -1.38 -1.15 113.55 111.18 1b38 h SER 188 Ca -0.07 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1b38 h SER 188 Cb 0.68 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1b38 h SER 188 CO 0.08 -0.36 0.30 0.25 -1.14 0.00 0.00 176.83 175.97 1b38 h LEU 189 N -0.33 0.49 -0.51 5.07 5.85 -1.03 0.20 115.31 125.05 1b38 h LEU 189 Ca 0.14 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1b38 h LEU 189 Cb 0.57 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1b38 h LEU 189 CO -0.50 0.35 0.29 1.23 -0.34 0.00 0.00 178.44 179.47 1b38 h GLY 190 N 0.58 0.76 1.19 3.75 0.00 -0.19 0.15 103.07 109.31 1b38 h GLY 190 Ca 0.17 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1b38 h GLY 190 CO -0.04 0.32 0.14 0.00 0.00 0.00 0.00 176.54 176.96 1b38 h ILE 192 N 0.96 1.41 0.15 0.00 2.04 -0.04 -2.29 117.51 119.75 1b38 h ILE 192 Ca 0.20 -2.09 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 1b38 h ILE 192 Cb 0.36 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1b38 h ILE 192 CO 0.00 0.61 -0.07 0.15 0.00 0.00 0.00 178.15 178.84 1b38 h PHE 193 N 0.13 -0.19 -0.90 1.37 3.57 -0.32 -1.55 116.94 119.05 1b38 h PHE 193 Ca -0.01 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1b38 h PHE 193 Cb 1.15 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 1b38 h PHE 193 CO 0.02 -0.10 0.57 0.00 -2.23 0.00 0.00 178.31 176.57 1b38 h ALA 194 N 0.62 1.21 -0.54 2.41 0.00 -1.19 -2.40 119.26 119.38 1b38 h ALA 194 Ca -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1b38 h ALA 194 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1b38 h ALA 194 CO 0.03 0.37 0.02 1.49 0.00 0.00 0.00 179.25 181.16 1b38 h GLU 195 N 1.07 0.90 -0.23 0.00 4.81 -1.10 -1.24 114.58 118.77 1b38 h GLU 195 Ca 0.38 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1b38 h GLU 195 Cb 0.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1b38 h GLU 195 CO -0.15 0.88 0.13 0.52 -0.73 0.00 0.00 179.01 179.66 1b38 h MET 196 N 0.83 0.32 -0.43 1.92 2.86 -1.07 0.94 114.93 120.31 1b38 h MET 196 Ca 0.16 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1b38 h MET 196 Cb 0.47 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1b38 h MET 196 CO 0.02 0.28 -0.09 0.28 1.06 0.00 0.00 176.91 178.46 1b38 h VAL 197 N 0.28 1.27 0.00 -2.22 2.07 -1.16 -3.33 116.25 113.15 1b38 h VAL 197 Ca 0.08 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1b38 h VAL 197 Cb 0.05 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1b38 h VAL 197 CO -0.01 0.40 -1.46 0.35 0.02 0.00 0.00 177.57 176.87 1b38 n THR 198 N -4.31 0.14 -1.69 2.57 -2.24 -0.49 -4.94 114.28 103.32 1b38 n THR 198 Ca -0.01 -0.37 -0.06 0.00 -2.27 0.00 0.00 64.05 61.34 1b38 n THR 198 Cb 0.36 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1b38 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b38 n ARG 199 N -2.15 -0.44 -3.78 -0.78 1.74 0.32 -5.01 116.66 106.57 1b38 n ARG 199 Ca -0.01 0.47 -0.13 0.00 -0.77 0.00 0.00 57.85 57.42 1b38 n ARG 199 Cb 0.50 -4.26 -0.12 0.00 -1.02 0.00 0.00 32.46 27.56 1b38 n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1b38 s ARG 200 N -3.50 0.29 0.61 5.56 3.52 -1.23 -5.07 118.95 119.13 1b38 s ARG 200 Ca 0.00 0.37 -0.19 0.00 -0.13 0.00 0.00 55.73 55.78 1b38 s ARG 200 Cb 0.00 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.47 1b38 s ARG 200 CO 0.00 -0.05 1.08 0.00 -0.81 0.00 0.00 175.30 175.52 1b38 n ALA 201 N 3.05 0.52 -0.01 6.12 0.00 -1.26 -4.03 120.51 124.90 1b38 n ALA 201 Ca -0.14 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1b38 n ALA 201 Cb 0.58 -2.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 1b38 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1b38 h LEU 202 N 0.58 -0.09 -6.36 0.00 5.85 -1.91 -3.41 115.31 109.97 1b38 h LEU 202 Ca -0.49 -0.46 -0.60 0.00 0.84 0.00 0.00 57.88 57.17 1b38 h LEU 202 Cb 1.35 0.02 -0.41 0.00 0.37 0.00 0.00 40.66 41.99 1b38 h LEU 202 CO 0.52 0.59 -0.66 0.49 -0.34 0.00 0.00 178.44 179.03 1b38 n PHE 203 N -4.80 2.92 -0.95 1.25 3.72 -1.26 -5.03 117.46 113.31 1b38 n PHE 203 Ca -0.07 -4.09 -0.31 0.00 -0.05 0.00 0.00 57.45 52.93 1b38 n PHE 203 Cb 0.26 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 38.26 1b38 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1b38 n PRO 204 N 1.22 1.95 -2.14 -1.08 -0.04 -1.26 -4.40 135.00 129.25 1b38 n PRO 204 Ca 0.27 -1.67 -0.38 0.00 -0.04 0.00 0.00 63.50 61.67 1b38 n PRO 204 Cb 0.41 -2.67 -0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1b38 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1b38 s GLY 205 N 3.96 2.85 -0.11 0.55 0.00 -1.26 -4.95 107.32 108.36 1b38 s GLY 205 Ca 0.47 1.08 0.14 0.00 0.00 0.00 0.00 44.72 46.41 1b38 s GLY 205 CO 0.02 1.59 1.27 2.09 0.00 0.00 0.00 173.10 178.07 1b38 n ASP 206 N -0.28 3.07 -3.60 1.64 5.75 -1.26 -4.63 116.55 117.25 1b38 n ASP 206 Ca 0.06 -2.73 -0.04 0.00 -0.01 0.00 0.00 54.79 52.07 1b38 n ASP 206 Cb 0.46 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1b38 n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1b38 s SER 207 N -1.91 -0.17 0.26 -1.12 1.04 -1.26 -4.99 113.70 105.55 1b38 s SER 207 Ca 0.31 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 1b38 s SER 207 Cb 0.24 0.23 0.33 0.00 0.10 0.00 0.00 66.02 66.93 1b38 s SER 207 CO 0.07 -0.40 1.91 -0.33 0.98 0.00 0.00 173.24 175.48 1b38 h GLU 208 N 2.00 1.24 -0.20 4.02 5.08 -1.99 0.27 114.58 125.00 1b38 h GLU 208 Ca -0.18 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 57.90 1b38 h GLU 208 Cb 1.20 -0.28 0.01 0.00 0.50 0.00 0.00 28.75 30.17 1b38 h GLU 208 CO 0.26 0.82 -0.67 0.97 -1.00 0.00 0.00 179.01 179.39 1b38 h ILE 209 N 1.28 1.28 -0.30 3.13 6.09 -1.98 -0.63 117.51 126.37 1b38 h ILE 209 Ca 0.40 -1.87 0.02 0.00 -1.37 0.00 0.00 64.86 62.04 1b38 h ILE 209 Cb -0.01 1.87 -0.03 0.00 0.47 0.00 0.00 36.82 39.12 1b38 h ILE 209 CO -0.12 0.60 0.15 -0.78 -3.07 0.00 0.00 178.15 174.92 1b38 h ASP 210 N 0.56 0.22 -0.10 2.19 3.58 -1.85 0.39 116.42 121.41 1b38 h ASP 210 Ca -0.03 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.46 1b38 h ASP 210 Cb 1.30 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 1b38 h ASP 210 CO 0.14 0.16 -0.06 -0.61 -2.88 0.00 0.00 179.24 176.00 1b38 h GLN 211 N 0.31 -0.06 -0.14 0.28 5.75 -0.31 0.03 115.11 120.96 1b38 h GLN 211 Ca 0.13 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1b38 h GLN 211 Cb 0.05 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1b38 h GLN 211 CO -0.09 -0.04 0.05 1.25 -2.65 0.00 0.00 178.83 177.35 1b38 h LEU 212 N -0.06 0.06 -1.31 -2.39 5.85 -0.94 -1.39 115.31 115.12 1b38 h LEU 212 Ca 0.06 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1b38 h LEU 212 Cb 0.15 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1b38 h LEU 212 CO -0.14 0.06 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.48 1b38 h PHE 213 N 0.12 0.00 -0.53 1.25 -1.00 -0.03 -0.66 116.94 116.09 1b38 h PHE 213 Ca 0.06 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.75 1b38 h PHE 213 Cb 0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 1b38 h PHE 213 CO -0.11 0.28 -0.04 0.00 -1.61 0.00 0.00 178.31 176.83 1b38 h ARG 214 N 0.00 0.94 0.13 1.51 3.08 -0.67 -1.57 114.38 117.80 1b38 h ARG 214 Ca -0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1b38 h ARG 214 Cb 0.66 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1b38 h ARG 214 CO 0.04 0.95 -0.06 0.82 -1.07 0.00 0.00 179.97 180.65 1b38 h ILE 215 N 0.86 0.93 -0.83 2.04 2.04 -0.50 -2.67 117.51 119.37 1b38 h ILE 215 Ca 0.15 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1b38 h ILE 215 Cb 0.56 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 1b38 h ILE 215 CO 0.03 0.05 0.49 -0.26 0.00 0.00 0.00 178.15 178.46 1b38 h PHE 216 N -0.26 0.91 0.00 1.37 0.04 -1.04 -0.30 116.94 117.67 1b38 h PHE 216 Ca -0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1b38 h PHE 216 Cb 0.20 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 1b38 h PHE 216 CO -0.04 0.42 -0.16 0.00 -0.60 0.00 0.00 178.31 177.93 1b38 h ARG 217 N 0.87 0.00 0.08 1.51 3.08 -1.19 0.70 114.38 119.44 1b38 h ARG 217 Ca 0.38 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.07 1b38 h ARG 217 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1b38 h ARG 217 CO -0.21 0.16 -2.05 2.41 -1.07 0.00 0.00 179.97 179.21 1b38 n THR 218 N -3.87 1.69 0.84 2.04 -1.04 -0.70 -4.56 114.28 108.68 1b38 n THR 218 Ca -0.02 -0.57 0.09 0.00 -2.04 0.00 0.00 64.05 61.51 1b38 n THR 218 Cb 0.25 -1.70 -0.02 0.00 -1.82 0.00 0.00 70.33 67.05 1b38 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1b38 n LEU 219 N -3.55 1.69 0.00 -4.42 4.77 -0.21 -0.51 117.00 114.77 1b38 n LEU 219 Ca -0.36 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1b38 n LEU 219 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1b38 n LEU 219 CO 0.36 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1b38 n GLY 220 N 1.29 -0.29 3.69 -0.72 0.00 0.24 -4.48 105.19 104.92 1b38 n GLY 220 Ca 0.07 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1b38 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b38 s THR 221 N -2.08 3.05 0.59 2.61 2.01 -0.65 -4.51 115.64 116.66 1b38 s THR 221 Ca 0.00 0.46 -0.18 0.00 0.31 0.00 0.00 61.69 62.28 1b38 s THR 221 Cb 0.00 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1b38 s THR 221 CO 0.00 -0.01 1.16 -2.16 -0.69 0.00 0.00 174.62 172.93 1b38 s PRO 222 N 2.82 3.03 0.15 4.92 0.04 -1.26 -4.88 135.00 139.82 1b38 s PRO 222 Ca 0.75 1.67 0.03 0.00 0.04 0.00 0.00 61.00 63.49 1b38 s PRO 222 Cb -0.40 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1b38 s PRO 222 CO 0.33 -1.12 0.14 -0.40 0.04 0.00 0.00 177.00 175.98 1b38 n ASP 223 N -1.70 -0.35 0.27 6.66 5.68 -1.26 -4.97 116.55 120.88 1b38 n ASP 223 Ca 0.12 -2.01 0.14 0.00 -0.50 0.00 0.00 54.79 52.54 1b38 n ASP 223 Cb 0.51 0.81 0.77 0.00 -1.14 0.00 0.00 41.12 42.07 1b38 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1b38 h GLU 224 N 0.00 0.00 0.36 0.11 4.39 -1.97 -0.14 114.58 117.32 1b38 h GLU 224 Ca -0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1b38 h GLU 224 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1b38 h GLU 224 CO 0.16 0.09 -0.17 0.28 -1.16 0.00 0.00 179.01 178.21 1b38 h VAL 225 N 0.00 0.63 0.00 3.13 2.07 -1.99 -3.09 116.25 117.00 1b38 h VAL 225 Ca -0.00 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1b38 h VAL 225 Cb 0.27 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1b38 h VAL 225 CO 0.01 0.09 -0.54 1.62 0.02 0.00 0.00 177.57 178.77 1b38 h VAL 226 N -0.76 0.36 -2.23 2.57 3.04 -1.89 -3.42 116.25 113.92 1b38 h VAL 226 Ca -0.05 -1.54 -0.48 0.00 -1.01 0.00 0.00 66.70 63.61 1b38 h VAL 226 Cb 0.51 2.06 -0.35 0.00 -2.01 0.00 0.00 31.29 31.50 1b38 h VAL 226 CO 0.08 0.20 -0.80 0.86 -1.01 0.00 0.00 177.57 176.90 1b38 s TRP 227 N -3.11 0.31 0.01 3.17 -0.11 -0.09 -4.35 118.94 114.75 1b38 s TRP 227 Ca 0.03 -1.43 -0.34 0.00 1.22 0.00 0.00 56.10 55.58 1b38 s TRP 227 Cb 0.07 -0.66 -0.13 0.00 -1.50 0.00 0.00 33.47 31.25 1b38 s TRP 227 CO 0.74 -0.90 1.74 -2.30 -4.62 0.00 0.00 176.95 171.60 1b38 n PRO 228 N 3.80 2.10 0.00 5.86 -0.02 -1.17 -1.21 135.00 144.36 1b38 n PRO 228 Ca 0.16 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1b38 n PRO 228 Cb 0.43 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1b38 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b38 n GLY 229 N 3.95 2.84 0.23 -1.23 0.00 -1.26 -4.98 105.19 104.74 1b38 n GLY 229 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 1b38 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b38 h VAL 230 N 0.00 0.74 0.00 1.61 3.04 -1.47 -1.79 116.25 118.39 1b38 h VAL 230 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1b38 h VAL 230 Cb 0.00 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1b38 h VAL 230 CO 0.00 0.07 0.00 0.35 -1.01 0.00 0.00 177.57 176.98 1b38 n THR 231 N -5.03 1.14 -0.38 3.17 -2.24 -1.26 -0.87 114.28 108.81 1b38 n THR 231 Ca 0.08 0.31 0.09 0.00 -2.27 0.00 0.00 64.05 62.26 1b38 n THR 231 Cb 0.28 -1.13 0.26 0.00 -2.10 0.00 0.00 70.33 67.64 1b38 n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b38 n SER 232 N -1.63 3.72 -4.80 3.42 3.41 -0.67 -4.89 113.62 112.18 1b38 n SER 232 Ca 0.03 -2.14 -0.32 0.00 -0.26 0.00 0.00 58.87 56.17 1b38 n SER 232 Cb 0.15 -0.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1b38 n SER 232 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1b38 s MET 233 N -1.26 3.01 0.23 4.33 -1.94 -0.05 -4.94 119.30 118.67 1b38 s MET 233 Ca 0.40 1.18 -0.09 0.00 -1.71 0.00 0.00 55.69 55.46 1b38 s MET 233 Cb 0.22 -1.99 0.35 0.00 2.01 0.00 0.00 34.83 35.43 1b38 s MET 233 CO 0.24 -1.06 1.66 -1.35 -0.01 0.00 0.00 175.02 174.50 1b38 h PRO 234 N -0.10 0.13 -0.48 2.03 0.11 -1.82 -1.91 132.00 129.96 1b38 h PRO 234 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1b38 h PRO 234 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1b38 h PRO 234 CO 0.56 0.08 0.03 -0.25 -0.21 0.00 0.00 178.00 178.21 1b38 n ASP 235 N -5.28 4.96 -4.74 -2.05 8.00 -0.09 -4.95 116.55 112.41 1b38 n ASP 235 Ca 0.11 -3.01 -0.41 0.00 0.71 0.00 0.00 54.79 52.19 1b38 n ASP 235 Cb 0.40 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 1b38 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1b38 s TYR 236 N -2.83 3.84 -0.04 1.24 5.04 -0.72 -4.93 117.35 118.94 1b38 s TYR 236 Ca 0.50 1.82 0.02 0.00 -2.44 0.00 0.00 57.07 56.97 1b38 s TYR 236 Cb 0.39 -3.06 0.01 0.00 0.35 0.00 0.00 41.96 39.66 1b38 s TYR 236 CO 0.13 0.20 -0.09 0.15 -1.34 0.00 0.00 175.55 174.59 1b38 s LYS 237 N -0.44 1.20 0.63 4.97 -0.14 -1.26 -4.90 119.74 119.80 1b38 s LYS 237 Ca 0.45 -0.30 0.33 0.00 -1.36 0.00 0.00 55.97 55.10 1b38 s LYS 237 Cb -0.25 -1.07 1.86 0.00 -1.68 0.00 0.00 37.83 36.69 1b38 s LYS 237 CO 0.31 0.03 2.12 -1.35 -0.76 0.00 0.00 175.35 175.71 1b38 h PRO 238 N 6.80 0.00 0.00 -1.68 0.11 -1.96 -0.02 132.00 135.25 1b38 h PRO 238 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1b38 h PRO 238 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b38 h PRO 238 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 1b38 n SER 239 N -3.35 0.00 -4.73 -2.05 3.41 -1.26 -4.85 113.62 100.80 1b38 n SER 239 Ca -0.01 -0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 1b38 n SER 239 Cb 0.28 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1b38 n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1b38 n PHE 240 N -1.06 2.60 -0.78 7.33 3.72 -0.02 -4.93 117.46 124.31 1b38 n PHE 240 Ca 0.22 0.46 -0.32 0.00 -0.05 0.00 0.00 57.45 57.76 1b38 n PHE 240 Cb 0.14 -2.49 0.15 0.00 -0.94 0.00 0.00 39.48 36.34 1b38 n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1b38 n PRO 241 N 0.93 -0.31 -3.54 -1.08 -0.02 -1.26 -4.95 135.00 124.76 1b38 n PRO 241 Ca 0.05 -0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 61.09 1b38 n PRO 241 Cb 0.37 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1b38 n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1b38 s LYS 242 N -4.22 2.51 0.03 -0.52 1.02 -1.26 -4.79 119.74 112.51 1b38 s LYS 242 Ca 0.65 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1b38 s LYS 242 Cb -0.24 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.09 1b38 s LYS 242 CO 0.60 -1.20 0.11 -1.58 -0.92 0.00 0.00 175.35 172.36 1b38 s TRP 243 N 1.33 3.33 0.57 3.18 0.51 -1.26 -4.95 118.94 121.65 1b38 s TRP 243 Ca 0.06 0.19 -0.16 0.00 -2.12 0.00 0.00 56.10 54.08 1b38 s TRP 243 Cb -0.26 -1.72 -0.05 0.00 -0.81 0.00 0.00 33.47 30.63 1b38 s TRP 243 CO -0.01 0.56 1.03 0.00 -0.51 0.00 0.00 176.95 178.02 1b38 s ALA 244 N -1.32 2.88 0.54 0.98 0.00 -1.26 -1.64 121.76 121.94 1b38 s ALA 244 Ca 0.27 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1b38 s ALA 244 Cb -0.12 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1b38 s ALA 244 CO 0.19 -0.61 1.03 0.50 0.00 0.00 0.00 175.76 176.87 1b38 s ARG 245 N -4.18 3.63 0.20 0.00 3.52 -1.26 -3.98 118.95 116.88 1b38 s ARG 245 Ca 0.61 1.17 0.06 0.00 -0.13 0.00 0.00 55.73 57.45 1b38 s ARG 245 Cb -0.13 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1b38 s ARG 245 CO 0.37 -0.55 0.14 -0.65 -0.81 0.00 0.00 175.30 173.79 1b38 s GLN 246 N -3.84 2.82 0.12 5.12 -1.52 0.33 -4.88 119.66 117.81 1b38 s GLN 246 Ca 0.63 -0.99 -0.30 0.00 -1.95 0.00 0.00 55.36 52.75 1b38 s GLN 246 Cb -0.14 -2.56 -0.06 0.00 -0.22 0.00 0.00 33.01 30.03 1b38 s GLN 246 CO 0.31 0.44 1.10 -0.51 -0.25 0.00 0.00 175.29 176.38 1b38 s ASP 247 N -3.40 7.25 0.62 5.90 1.01 -1.26 -4.83 116.67 121.96 1b38 s ASP 247 Ca 0.31 2.00 0.39 0.00 0.71 0.00 0.00 52.55 55.96 1b38 s ASP 247 Cb -0.09 -2.59 2.11 0.00 1.01 0.00 0.00 42.92 43.35 1b38 s ASP 247 CO 0.23 -0.28 2.18 -0.26 0.21 0.00 0.00 175.17 177.26 1b38 h PHE 248 N 5.77 0.00 -0.14 4.23 -1.00 -1.98 0.30 116.94 124.13 1b38 h PHE 248 Ca -0.43 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.28 1b38 h PHE 248 Cb 1.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 1b38 h PHE 248 CO 0.64 0.00 -0.22 0.66 -1.61 0.00 0.00 178.31 177.79 1b38 h SER 249 N 0.00 0.23 0.73 2.17 4.64 -1.92 -1.47 113.55 117.92 1b38 h SER 249 Ca 0.00 -0.06 -0.26 0.00 -0.47 0.00 0.00 61.79 61.00 1b38 h SER 249 Cb 0.15 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1b38 h SER 249 CO 0.00 0.46 -1.30 0.50 -0.87 0.00 0.00 176.83 175.61 1b38 h LYS 250 N 0.22 0.08 -0.04 4.77 3.64 -0.79 -3.23 116.57 121.21 1b38 h LYS 250 Ca 0.04 -0.13 -0.22 0.00 -1.27 0.00 0.00 60.65 59.07 1b38 h LYS 250 Cb 0.51 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1b38 h LYS 250 CO 0.03 0.92 -0.84 0.28 -2.27 0.00 0.00 179.45 177.58 1b38 h VAL 251 N 0.02 1.32 -2.06 2.00 2.07 -1.21 -3.39 116.25 115.00 1b38 h VAL 251 Ca -0.14 -2.11 -0.52 0.00 0.82 0.00 0.00 66.70 64.75 1b38 h VAL 251 Cb 1.90 2.33 -0.41 0.00 -1.52 0.00 0.00 31.29 33.59 1b38 h VAL 251 CO 0.13 0.65 -0.95 1.33 0.02 0.00 0.00 177.57 178.74 1b38 n VAL 252 N -3.99 1.31 -0.31 2.57 0.24 -0.59 -5.00 118.33 112.57 1b38 n VAL 252 Ca -0.10 -4.95 -0.00 0.00 -2.04 0.00 0.00 64.34 57.25 1b38 n VAL 252 Cb 0.78 -0.73 0.06 0.00 -1.47 0.00 0.00 33.84 32.48 1b38 n VAL 252 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1b38 h PRO 253 N 2.98 -0.04 -0.64 7.34 0.10 -1.74 0.02 132.00 140.02 1b38 h PRO 253 Ca 0.11 0.00 0.06 0.00 0.10 0.00 0.00 66.00 66.27 1b38 h PRO 253 Cb 0.78 0.01 -0.04 0.00 0.10 0.00 0.00 31.00 31.85 1b38 h PRO 253 CO 0.64 -0.03 0.42 -1.00 0.10 0.00 0.00 178.00 178.14 1b38 h PRO 254 N -0.04 0.63 -6.67 1.05 0.13 -1.92 -3.44 132.00 121.74 1b38 h PRO 254 Ca 0.35 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.87 1b38 h PRO 254 Cb 0.60 -0.14 0.09 0.00 0.13 0.00 0.00 31.00 31.68 1b38 h PRO 254 CO -0.88 0.41 0.63 -0.11 -0.23 0.00 0.00 178.00 177.82 1b38 n LEU 255 N -4.48 3.45 -4.74 1.56 7.94 -0.01 -5.00 117.00 115.73 1b38 n LEU 255 Ca 0.09 1.16 -0.29 0.00 -1.11 0.00 0.00 56.01 55.86 1b38 n LEU 255 Cb 0.23 -1.47 0.17 0.00 0.53 0.00 0.00 43.42 42.88 1b38 n LEU 255 CO 0.34 -0.37 0.70 1.51 -1.11 0.00 0.00 177.39 178.46 1b38 s ASP 256 N 0.16 2.66 0.47 1.96 1.47 -1.26 -4.71 116.67 117.42 1b38 s ASP 256 Ca 0.64 0.83 0.17 0.00 1.18 0.00 0.00 52.55 55.36 1b38 s ASP 256 Cb -0.60 -1.27 1.11 0.00 -0.34 0.00 0.00 42.92 41.82 1b38 s ASP 256 CO 0.53 -3.06 2.02 -0.08 0.68 0.00 0.00 175.17 175.26 1b38 h GLU 257 N -1.85 0.00 -0.14 2.11 4.57 -1.98 -0.62 114.58 116.67 1b38 h GLU 257 Ca -0.49 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 1b38 h GLU 257 Cb 1.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1b38 h GLU 257 CO 0.52 0.15 0.01 -0.44 -1.18 0.00 0.00 179.01 178.07 1b38 h ASP 258 N 0.00 0.23 -0.14 1.04 3.32 -1.97 -0.38 116.42 118.52 1b38 h ASP 258 Ca -0.00 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.80 1b38 h ASP 258 Cb 0.29 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1b38 h ASP 258 CO 0.02 0.46 -0.10 1.23 -1.72 0.00 0.00 179.24 179.13 1b38 h GLY 259 N -0.00 0.01 1.05 2.75 0.00 -1.82 -0.62 103.07 104.44 1b38 h GLY 259 Ca 0.04 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1b38 h GLY 259 CO 0.01 -0.11 0.28 3.21 0.00 0.00 0.00 176.54 179.92 1b38 h ARG 260 N -0.11 1.15 -0.29 4.80 3.08 -0.96 0.27 114.38 122.32 1b38 h ARG 260 Ca 0.09 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1b38 h ARG 260 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1b38 h ARG 260 CO -0.20 0.95 0.12 1.03 -1.07 0.00 0.00 179.97 180.79 1b38 h SER 261 N 1.10 0.40 0.09 7.04 0.87 -0.87 -0.76 113.55 121.42 1b38 h SER 261 Ca 0.25 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1b38 h SER 261 Cb 0.25 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1b38 h SER 261 CO -0.02 0.45 -0.05 0.25 -0.53 0.00 0.00 176.83 176.94 1b38 h LEU 262 N 0.32 -0.12 -1.02 2.23 5.85 -0.78 -2.32 115.31 119.47 1b38 h LEU 262 Ca 0.10 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1b38 h LEU 262 Cb 0.18 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1b38 h LEU 262 CO -0.01 -0.08 0.65 0.25 -0.34 0.00 0.00 178.44 178.91 1b38 h LEU 263 N -0.13 1.08 -1.25 2.25 5.85 -0.14 -1.59 115.31 121.36 1b38 h LEU 263 Ca -0.01 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1b38 h LEU 263 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1b38 h LEU 263 CO 0.02 0.72 -0.37 0.77 -0.34 0.00 0.00 178.44 179.23 1b38 h SER 264 N 1.24 0.00 1.14 1.25 4.64 -0.92 -0.06 113.55 120.84 1b38 h SER 264 Ca 0.41 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.61 1b38 h SER 264 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1b38 h SER 264 CO -0.14 0.37 -0.58 1.56 -0.87 0.00 0.00 176.83 177.17 1b38 h GLN 265 N 0.00 0.00 0.00 4.77 4.20 -0.84 -2.85 115.11 120.40 1b38 h GLN 265 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1b38 h GLN 265 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1b38 h GLN 265 CO 0.05 0.58 -0.41 0.52 -0.67 0.00 0.00 178.83 178.90 1b38 h MET 266 N 0.00 0.00 -0.79 1.46 2.86 -0.44 -1.29 114.93 116.73 1b38 h MET 266 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 1b38 h MET 266 Cb 1.31 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.84 1b38 h MET 266 CO 0.08 0.41 0.27 1.28 1.06 0.00 0.00 176.91 180.01 1b38 n LEU 267 N -3.32 5.80 -4.76 1.22 4.77 -0.12 -3.72 117.00 116.86 1b38 n LEU 267 Ca 0.01 -3.02 -0.41 0.00 -0.03 0.00 0.00 56.01 52.56 1b38 n LEU 267 Cb 0.62 -0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1b38 n LEU 267 CO 0.38 0.78 1.14 -1.00 -1.33 0.00 0.00 177.39 177.36 1b38 s HIS 268 N -2.77 2.77 0.05 -1.77 3.76 -1.08 -4.91 115.29 111.33 1b38 s HIS 268 Ca 0.50 1.08 -0.23 0.00 -0.15 0.00 0.00 55.06 56.26 1b38 s HIS 268 Cb 0.40 -3.95 -0.16 0.00 1.11 0.00 0.00 32.58 29.99 1b38 s HIS 268 CO 0.12 -2.94 1.55 1.88 -0.85 0.00 0.00 174.74 174.50 1b38 h TYR 269 N 3.88 0.07 -2.97 1.40 0.05 -1.90 -3.42 116.97 114.09 1b38 h TYR 269 Ca -0.49 -0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.72 1b38 h TYR 269 Cb 1.23 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.91 1b38 h TYR 269 CO 0.56 0.26 0.99 0.34 -1.05 0.00 0.00 178.16 179.26 1b38 s ASP 270 N -5.47 6.69 0.53 3.88 -1.08 -1.26 -4.86 116.67 115.10 1b38 s ASP 270 Ca -0.14 1.49 0.20 0.00 -0.52 0.00 0.00 52.55 53.57 1b38 s ASP 270 Cb 0.05 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.34 1b38 s ASP 270 CO 0.68 -1.01 2.15 -0.65 0.52 0.00 0.00 175.17 176.85 1b38 h PRO 271 N 9.27 0.00 0.00 4.34 0.11 -1.96 0.12 132.00 143.89 1b38 h PRO 271 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1b38 h PRO 271 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1b38 h PRO 271 CO 1.00 0.03 -0.29 -0.91 -0.21 0.00 0.00 178.00 177.63 1b38 h ASN 272 N 0.00 0.00 0.24 -2.05 4.21 -1.96 -3.09 115.58 112.93 1b38 h ASN 272 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1b38 h ASN 272 Cb 0.06 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1b38 h ASN 272 CO 0.00 0.29 -1.77 0.29 -1.29 0.00 0.00 177.43 174.95 1b38 n LYS 273 N -3.61 0.65 -1.52 0.81 4.01 0.34 -5.00 118.16 113.84 1b38 n LYS 273 Ca -0.01 -0.11 -0.42 0.00 -0.51 0.00 0.00 58.31 57.26 1b38 n LYS 273 Cb 0.42 -1.60 0.01 0.00 -0.51 0.00 0.00 35.03 33.35 1b38 n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1b38 n ARG 274 N -2.39 0.88 -2.05 1.97 0.63 -0.64 -4.89 116.66 110.18 1b38 n ARG 274 Ca -0.04 0.32 -0.37 0.00 -0.92 0.00 0.00 57.85 56.84 1b38 n ARG 274 Cb 0.59 -1.72 0.02 0.00 0.45 0.00 0.00 32.46 31.80 1b38 n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1b38 s ILE 275 N -1.36 2.67 0.70 5.15 2.07 -0.49 -5.01 121.20 124.94 1b38 s ILE 275 Ca 0.63 0.48 -0.09 0.00 -1.41 0.00 0.00 60.65 60.26 1b38 s ILE 275 Cb -0.60 -3.23 0.04 0.00 0.13 0.00 0.00 42.46 38.80 1b38 s ILE 275 CO 0.57 -0.03 1.05 -0.94 -1.91 0.00 0.00 174.94 173.69 1b38 s SER 276 N -1.29 5.10 0.19 4.50 1.04 -1.26 -4.89 113.70 117.09 1b38 s SER 276 Ca 0.69 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.80 1b38 s SER 276 Cb -0.33 -1.53 0.11 0.00 0.10 0.00 0.00 66.02 64.38 1b38 s SER 276 CO 0.38 -1.48 1.81 0.00 0.98 0.00 0.00 173.24 174.94 1b38 h ALA 277 N -0.63 0.85 -0.23 5.32 0.00 -1.93 -1.09 119.26 121.55 1b38 h ALA 277 Ca -0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1b38 h ALA 277 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1b38 h ALA 277 CO 0.63 0.35 0.12 0.87 0.00 0.00 0.00 179.25 181.22 1b38 h LYS 278 N 0.91 0.32 -0.37 0.00 1.57 -1.93 -1.16 116.57 115.92 1b38 h LYS 278 Ca 0.24 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1b38 h LYS 278 Cb 0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1b38 h LYS 278 CO -0.04 0.32 -0.08 0.00 -0.57 0.00 0.00 179.45 179.08 1b38 h ALA 279 N 0.99 1.18 -0.50 3.86 0.00 -1.92 -2.84 119.26 120.04 1b38 h ALA 279 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1b38 h ALA 279 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1b38 h ALA 279 CO -0.01 0.52 0.30 0.00 0.00 0.00 0.00 179.25 180.07 1b38 h ALA 280 N 1.35 1.59 0.00 0.00 0.00 -0.80 0.87 119.26 122.27 1b38 h ALA 280 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1b38 h ALA 280 Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b38 h ALA 280 CO 0.03 0.36 -0.04 -0.07 0.00 0.00 0.00 179.25 179.53 1b38 h LEU 281 N 0.69 0.00 -1.04 0.00 3.38 -0.96 -1.02 115.31 116.35 1b38 h LEU 281 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1b38 h LEU 281 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1b38 h LEU 281 CO -0.03 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1b38 n ALA 282 N -2.15 2.56 -1.75 1.53 0.00 0.28 -4.83 120.51 116.15 1b38 n ALA 282 Ca -0.01 -0.47 -0.38 0.00 0.00 0.00 0.00 53.44 52.58 1b38 n ALA 282 Cb 0.20 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.55 1b38 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1b38 s HIS 283 N -1.99 2.36 0.59 0.00 5.04 -0.39 -4.88 115.29 116.03 1b38 s HIS 283 Ca 0.37 1.41 0.29 0.00 -1.54 0.00 0.00 55.06 55.59 1b38 s HIS 283 Cb 0.21 -3.72 1.46 0.00 0.04 0.00 0.00 32.58 30.57 1b38 s HIS 283 CO 0.33 -2.67 1.87 -1.35 -2.34 0.00 0.00 174.74 170.58 1b38 h PRO 284 N 1.44 0.00 -0.90 2.88 0.11 -1.92 -1.48 132.00 132.13 1b38 h PRO 284 Ca -0.51 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.78 1b38 h PRO 284 Cb 1.30 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 1b38 h PRO 284 CO 0.57 0.00 0.59 0.35 -0.21 0.00 0.00 178.00 179.30 1b38 h PHE 285 N 0.00 0.72 -0.26 0.65 3.57 -1.90 -1.86 116.94 117.86 1b38 h PHE 285 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1b38 h PHE 285 Cb 1.23 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1b38 h PHE 285 CO 0.00 0.22 0.00 1.19 -2.23 0.00 0.00 178.31 177.49 1b38 n PHE 286 N -4.56 0.56 -0.33 0.41 3.72 -0.56 -4.40 117.46 112.30 1b38 n PHE 286 Ca 0.19 -0.23 -0.03 0.00 -0.05 0.00 0.00 57.45 57.33 1b38 n PHE 286 Cb 0.58 -0.10 0.10 0.00 -0.94 0.00 0.00 39.48 39.12 1b38 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1b38 h GLN 287 N 1.64 1.25 -0.63 -1.08 5.75 -1.52 -2.10 115.11 118.42 1b38 h GLN 287 Ca 0.00 -0.14 -0.35 0.00 -0.15 0.00 0.00 58.65 58.01 1b38 h GLN 287 Cb 0.66 -0.25 -0.21 0.00 1.07 0.00 0.00 27.48 28.76 1b38 h GLN 287 CO 0.08 0.90 0.18 -0.40 -2.65 0.00 0.00 178.83 176.94 1b38 n ASP 288 N -4.34 3.46 -4.77 -0.69 5.68 -1.26 -5.03 116.55 109.61 1b38 n ASP 288 Ca 0.10 -3.74 -0.40 0.00 -0.50 0.00 0.00 54.79 50.25 1b38 n ASP 288 Cb 0.09 -0.71 -0.03 0.00 -1.14 0.00 0.00 41.12 39.33 1b38 n ASP 288 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1b38 s VAL 289 N -3.50 3.12 0.00 2.12 0.11 -0.79 -5.02 120.40 116.44 1b38 s VAL 289 Ca 0.51 1.09 0.00 0.00 -2.93 0.00 0.00 61.98 60.65 1b38 s VAL 289 Cb 0.44 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1b38 s VAL 289 CO 0.03 0.23 0.00 0.35 -3.33 0.00 0.00 175.10 172.38 1b38 n THR 290 N 0.79 0.00 -3.45 5.04 -2.24 -1.26 -5.08 114.28 108.08 1b38 n THR 290 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1b38 n THR 290 Cb 0.44 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1b38 n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b38 s LYS 291 N -1.69 1.06 0.87 -0.78 2.20 -1.26 -4.38 119.74 115.76 1b38 s LYS 291 Ca 0.00 -2.20 -0.11 0.00 -0.36 0.00 0.00 55.97 53.30 1b38 s LYS 291 Cb 0.00 -1.63 0.11 0.00 -1.51 0.00 0.00 37.83 34.80 1b38 s LYS 291 CO 0.00 -1.37 1.09 -2.14 -0.36 0.00 0.00 175.35 172.58 1b38 s PRO 292 N -0.04 1.46 -0.11 4.03 0.02 -1.26 -4.96 135.00 134.13 1b38 s PRO 292 Ca 0.31 0.82 -0.03 0.00 0.02 0.00 0.00 61.00 62.12 1b38 s PRO 292 Cb 0.01 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 1b38 s PRO 292 CO -0.18 -2.10 -0.01 0.14 -0.33 0.00 0.00 177.00 174.52 1b38 s VAL 293 N -2.97 4.16 0.65 3.83 -7.23 -1.26 -4.29 120.40 113.29 1b38 s VAL 293 Ca 0.63 -0.29 -0.14 0.00 -1.81 0.00 0.00 61.98 60.38 1b38 s VAL 293 Cb -0.17 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 1b38 s VAL 293 CO 0.56 0.56 1.07 -2.16 -0.31 0.00 0.00 175.10 174.82 1b38 s PRO 294 N -0.37 3.03 -0.72 4.82 0.04 -1.26 -4.97 135.00 135.58 1b38 s PRO 294 Ca 0.07 1.14 -0.27 0.00 0.04 0.00 0.00 61.00 61.98 1b38 s PRO 294 Cb -0.12 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1b38 s PRO 294 CO 0.02 -1.04 1.31 -3.38 0.04 0.00 0.00 177.00 173.96 1b38 s HIS 295 N -2.68 2.27 -0.13 0.56 -3.43 -1.26 -4.97 115.29 105.65 1b38 s HIS 295 Ca 0.62 0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.94 1b38 s HIS 295 Cb -0.16 -4.58 0.01 0.00 -1.43 0.00 0.00 32.58 26.42 1b38 s HIS 295 CO 0.45 -2.06 -0.18 -0.51 -2.00 0.00 0.00 174.74 170.45 1b38 s LEU 296 N 5.90 1.86 -0.34 5.38 1.43 -1.26 -5.10 118.68 126.54 1b38 s LEU 296 Ca 0.38 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1b38 s LEU 296 Cb -0.08 -1.23 0.07 0.00 0.03 0.00 0.00 46.19 44.97 1b38 s LEU 296 CO 0.16 0.03 0.09 -0.60 0.23 0.00 0.00 176.35 176.26 1b38 s ARG 297 N 0.98 2.30 0.00 1.70 3.52 -1.26 -5.07 118.95 121.12 1b38 s ARG 297 Ca -0.05 -1.45 0.28 0.00 -0.13 0.00 0.00 55.73 54.38 1b38 s ARG 297 Cb -0.15 -3.36 1.07 0.00 -1.56 0.00 0.00 34.95 30.95 1b38 s ARG 297 CO -0.03 -0.78 1.75 1.28 -0.81 0.00 0.00 175.30 176.71