#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s LYS 6 N 0.00 4.19 0.14 1.43 2.47 -1.26 -4.89 119.74 121.82 1s1h s LYS 6 Ca 0.00 1.34 -0.15 0.00 -1.56 0.00 0.00 55.97 55.60 1s1h s LYS 6 Cb 0.00 -2.41 0.00 0.00 -1.46 0.00 0.00 37.83 33.97 1s1h s LYS 6 CO 0.00 -0.09 1.68 -0.22 0.16 0.00 0.00 175.35 176.88 1s1h h LYS 7 N 2.29 0.65 -0.13 4.03 1.63 -2.08 -0.16 116.57 122.80 1s1h h LYS 7 Ca -0.48 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.17 1s1h h LYS 7 Cb 1.20 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1s1h h LYS 7 CO 0.62 0.61 0.02 -0.09 -3.45 0.00 0.00 179.45 177.16 1s1h h ARG 8 N 0.55 0.22 -0.46 1.90 9.65 -2.06 -3.34 114.38 120.84 1s1h h ARG 8 Ca 0.14 -0.06 -0.34 0.00 -1.10 0.00 0.00 59.98 58.62 1s1h h ARG 8 Cb 0.22 -0.03 -0.31 0.00 -1.39 0.00 0.00 29.97 28.46 1s1h h ARG 8 CO -0.01 0.41 -0.79 0.36 2.80 0.00 0.00 179.97 182.74 1s1h n LYS 9 N -4.82 2.60 -0.18 0.20 2.85 -1.20 -4.57 118.16 113.04 1s1h n LYS 9 Ca -0.05 -3.71 -0.10 0.00 -1.05 0.00 0.00 58.31 53.40 1s1h n LYS 9 Cb 0.17 -1.87 0.01 0.00 -0.65 0.00 0.00 35.03 32.69 1s1h n LYS 9 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 1s1h h LEU 10 N 1.85 0.88 -0.52 -5.58 -0.00 -1.14 0.40 115.31 111.20 1s1h h LEU 10 Ca 0.17 -0.31 -0.06 0.00 -0.00 0.00 0.00 57.88 57.68 1s1h h LEU 10 Cb 1.39 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.79 1s1h h LEU 10 CO 0.44 0.97 0.09 1.62 -0.00 0.00 0.00 178.44 181.56 1s1h h VAL 11 N 0.77 1.25 -0.66 0.15 3.04 -1.83 0.60 116.25 119.57 1s1h h VAL 11 Ca 0.14 -0.94 -0.07 0.00 -1.01 0.00 0.00 66.70 64.83 1s1h h VAL 11 Cb 0.52 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 1s1h h VAL 11 CO 0.03 0.34 0.13 0.00 -1.01 0.00 0.00 177.57 177.05 1s1h h ALA 12 N 0.98 0.87 -0.43 3.17 0.00 -1.75 0.39 119.26 122.49 1s1h h ALA 12 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1s1h h ALA 12 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1s1h h ALA 12 CO 0.01 0.62 0.07 0.22 0.00 0.00 0.00 179.25 180.16 1s1h h ASP 13 N 0.99 0.61 -0.30 0.00 1.82 0.15 -2.49 116.42 117.22 1s1h h ASP 13 Ca 0.20 -0.11 -0.18 0.00 -0.39 0.00 0.00 57.03 56.56 1s1h h ASP 13 Cb 0.41 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.26 1s1h h ASP 13 CO 0.01 0.64 -0.50 1.23 -1.61 0.00 0.00 179.24 179.00 1s1h h GLY 14 N 0.88 0.95 1.40 -0.78 0.00 -0.21 -3.27 103.07 102.04 1s1h h GLY 14 Ca 0.14 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1s1h h GLY 14 CO 0.00 0.97 0.38 -0.24 0.00 0.00 0.00 176.54 177.66 1s1h h VAL 15 N 0.65 1.16 -0.69 4.60 3.04 -0.47 -0.89 116.25 123.64 1s1h h VAL 15 Ca 0.02 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 1s1h h VAL 15 Cb 1.11 0.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 1s1h h VAL 15 CO 0.11 0.16 0.35 -0.26 -1.01 0.00 0.00 177.57 176.93 1s1h h PHE 16 N 0.82 0.98 -0.94 3.17 -1.00 -1.58 -1.77 116.94 116.62 1s1h h PHE 16 Ca 0.22 -0.04 0.05 0.00 2.81 0.00 0.00 57.97 61.01 1s1h h PHE 16 Cb -0.07 -0.31 -0.06 0.00 3.61 0.00 0.00 35.95 39.12 1s1h h PHE 16 CO 0.00 0.72 0.61 1.88 -1.61 0.00 0.00 178.31 179.91 1s1h h TYR 17 N 0.96 1.13 -0.76 -0.55 0.05 -1.25 0.55 116.97 117.09 1s1h h TYR 17 Ca 0.24 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.02 1s1h h TYR 17 Cb 0.09 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 37.43 1s1h h TYR 17 CO 0.00 0.60 0.36 0.00 -1.05 0.00 0.00 178.16 178.07 1s1h h ALA 18 N 1.42 1.18 -0.49 3.88 0.00 -1.29 -0.01 119.26 123.95 1s1h h ALA 18 Ca 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1s1h h ALA 18 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1s1h h ALA 18 CO -0.16 0.61 0.29 1.49 0.00 0.00 0.00 179.25 181.49 1s1h h GLU 19 N 1.09 0.66 -0.09 0.00 4.81 0.78 0.27 114.58 122.11 1s1h h GLU 19 Ca 0.26 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1s1h h GLU 19 Cb 0.13 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1s1h h GLU 19 CO -0.03 0.49 0.03 -0.07 -0.73 0.00 0.00 179.01 178.69 1s1h h LEU 20 N 0.65 0.13 -1.69 1.64 3.38 0.12 -2.39 115.31 117.15 1s1h h LEU 20 Ca 0.17 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1s1h h LEU 20 Cb -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1s1h h LEU 20 CO -0.03 0.31 0.28 -1.13 0.09 0.00 0.00 178.44 177.95 1s1h h ASN 21 N -0.05 0.35 -0.17 -0.43 -1.24 -0.63 -1.70 115.58 111.71 1s1h h ASN 21 Ca 0.03 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1s1h h ASN 21 Cb 0.22 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1s1h h ASN 21 CO -0.00 0.24 0.03 -0.08 -1.29 0.00 0.00 177.43 176.33 1s1h h GLU 22 N 0.40 0.10 -0.29 6.67 4.81 0.07 -1.82 114.58 124.52 1s1h h GLU 22 Ca 0.17 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1s1h h GLU 22 Cb 0.18 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1s1h h GLU 22 CO -0.04 0.07 -0.33 0.74 -0.73 0.00 0.00 179.01 178.71 1s1h h PHE 23 N 0.10 0.89 -0.53 0.92 0.04 -1.22 -2.84 116.94 114.31 1s1h h PHE 23 Ca 0.07 -0.28 0.02 0.00 2.80 0.00 0.00 57.97 60.58 1s1h h PHE 23 Cb 0.07 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 1s1h h PHE 23 CO -0.13 1.04 0.33 0.74 -0.60 0.00 0.00 178.31 179.69 1s1h h PHE 24 N 0.49 0.61 -0.72 -0.55 -1.00 -1.22 0.24 116.94 114.78 1s1h h PHE 24 Ca 0.04 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 1s1h h PHE 24 Cb 0.91 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 40.24 1s1h h PHE 24 CO 0.07 0.36 0.20 1.79 -1.61 0.00 0.00 178.31 179.12 1s1h h THR 25 N 0.65 1.26 -0.11 -1.55 1.35 -1.36 0.32 112.91 113.48 1s1h h THR 25 Ca 0.21 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 1s1h h THR 25 Cb -0.01 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1s1h h THR 25 CO -0.08 0.37 0.03 0.03 -0.25 0.00 0.00 175.52 175.62 1s1h h ARG 26 N 1.09 0.17 0.09 4.72 2.47 -0.86 -3.24 114.38 118.82 1s1h h ARG 26 Ca 0.23 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1s1h h ARG 26 Cb 0.34 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1s1h h ARG 26 CO -0.00 0.34 -0.04 0.93 0.56 0.00 0.00 179.97 181.75 1s1h h GLU 27 N -0.02 -0.12 0.00 0.04 4.39 -0.39 -3.36 114.58 115.12 1s1h h GLU 27 Ca 0.04 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1s1h h GLU 27 Cb 0.24 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1s1h h GLU 27 CO -0.00 0.37 0.00 1.28 -1.16 0.00 0.00 179.01 179.50 1s1h n LEU 28 N -4.82 0.00 -0.18 1.33 7.99 0.11 -4.01 117.00 117.42 1s1h n LEU 28 Ca -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.92 1s1h n LEU 28 Cb 0.27 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.66 1s1h n LEU 28 CO 0.23 0.00 0.98 0.00 -1.51 0.00 0.00 177.39 177.09 1s1h h ALA 29 N 2.68 0.71 -0.61 -1.18 0.00 -1.72 -0.82 119.26 118.33 1s1h h ALA 29 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s1h h ALA 29 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1s1h h ALA 29 CO 0.00 -0.19 0.38 0.93 0.00 0.00 0.00 179.25 180.37 1s1h h GLU 30 N 0.40 0.81 -0.68 0.00 3.07 -1.91 -0.58 114.58 115.69 1s1h h GLU 30 Ca 0.27 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1s1h h GLU 30 Cb 0.31 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 1s1h h GLU 30 CO -0.27 0.56 0.32 1.49 -1.40 0.00 0.00 179.01 179.71 1s1h h GLU 31 N 0.83 0.97 -0.01 2.33 4.22 -1.47 -3.47 114.58 117.98 1s1h h GLU 31 Ca 0.22 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1s1h h GLU 31 Cb -0.05 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1s1h h GLU 31 CO -0.04 0.75 0.00 0.41 -2.18 0.00 0.00 179.01 177.95 1s1h n GLY 32 N -1.10 0.29 3.77 1.92 0.00 -0.22 -1.87 105.19 107.99 1s1h n GLY 32 Ca 0.06 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1s1h n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s1h s TYR 33 N -0.00 3.57 0.02 1.61 5.04 -1.25 -2.63 117.35 123.70 1s1h s TYR 33 Ca 0.00 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1s1h s TYR 33 Cb 0.00 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 39.18 1s1h s TYR 33 CO 0.00 -0.28 0.00 0.45 -1.34 0.00 0.00 175.55 174.38 1s1h n SER 34 N 0.74 0.06 -3.51 4.32 2.88 -1.16 -4.61 113.62 112.34 1s1h n SER 34 Ca 0.01 0.03 -0.13 0.00 -1.33 0.00 0.00 58.87 57.45 1s1h n SER 34 Cb 0.48 -0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 1s1h n SER 34 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1s1h s GLY 35 N -4.94 -0.48 -0.36 0.46 0.00 -1.26 -4.90 107.32 95.83 1s1h s GLY 35 Ca 0.00 1.25 0.01 0.00 0.00 0.00 0.00 44.72 45.98 1s1h s GLY 35 CO 0.00 0.67 0.15 0.54 0.00 0.00 0.00 173.10 174.45 1s1h s VAL 36 N -2.15 1.18 0.31 1.40 0.11 -1.26 -2.09 120.40 117.90 1s1h s VAL 36 Ca -0.02 -1.91 -0.27 0.00 -2.93 0.00 0.00 61.98 56.84 1s1h s VAL 36 Cb -0.01 -1.86 -0.09 0.00 -1.53 0.00 0.00 36.38 32.89 1s1h s VAL 36 CO -0.01 -0.76 0.98 -1.61 -3.33 0.00 0.00 175.10 170.37 1s1h s GLU 37 N 1.08 4.58 -0.19 1.54 2.02 -1.25 -4.89 118.70 121.60 1s1h s GLU 37 Ca 0.13 1.46 -0.01 0.00 0.02 0.00 0.00 54.97 56.56 1s1h s GLU 37 Cb -0.20 -2.91 0.05 0.00 0.10 0.00 0.00 34.13 31.17 1s1h s GLU 37 CO -0.14 0.25 -0.01 0.14 0.02 0.00 0.00 175.26 175.52 1s1h s VAL 38 N -1.47 0.96 0.18 2.63 -7.23 -1.26 -1.61 120.40 112.60 1s1h s VAL 38 Ca 0.49 -0.73 0.07 0.00 -1.81 0.00 0.00 61.98 60.00 1s1h s VAL 38 Cb -0.22 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 1s1h s VAL 38 CO 0.28 -0.07 -0.00 -0.60 -0.31 0.00 0.00 175.10 174.40 1s1h s ARG 39 N 1.67 2.39 0.07 4.82 6.06 -1.26 -4.89 118.95 127.82 1s1h s ARG 39 Ca -0.02 -1.13 -0.22 0.00 -2.50 0.00 0.00 55.73 51.87 1s1h s ARG 39 Cb -0.17 -2.34 0.05 0.00 0.06 0.00 0.00 34.95 32.55 1s1h s ARG 39 CO -0.07 0.45 0.51 0.54 -2.50 0.00 0.00 175.30 174.23 1s1h s VAL 40 N -1.77 0.03 0.00 7.11 0.11 -1.26 -0.79 120.40 123.84 1s1h s VAL 40 Ca 0.28 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1s1h s VAL 40 Cb -0.09 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1s1h s VAL 40 CO 0.19 -0.14 0.00 1.07 -3.33 0.00 0.00 175.10 172.88 1s1h n THR 41 N 0.19 0.00 -2.20 5.04 5.66 -1.25 -5.05 114.28 116.67 1s1h n THR 41 Ca -0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 1s1h n THR 41 Cb 0.61 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.46 1s1h n THR 41 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1s1h s PRO 42 N 4.13 2.35 0.00 1.09 0.04 -1.26 -4.62 135.00 136.73 1s1h s PRO 42 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1s1h s PRO 42 Cb 0.00 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1s1h s PRO 42 CO 0.00 -1.15 0.00 0.25 0.04 0.00 0.00 177.00 176.14 1s1h n THR 43 N -2.89 0.00 -2.67 1.26 -2.24 -1.26 -4.63 114.28 101.85 1s1h n THR 43 Ca 0.07 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.86 1s1h n THR 43 Cb 0.60 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.84 1s1h n THR 43 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1s1h s LYS 44 N 0.00 0.04 0.13 -0.78 2.47 -1.17 -4.19 119.74 116.24 1s1h s LYS 44 Ca 0.00 -0.02 -0.02 0.00 -1.56 0.00 0.00 55.97 54.37 1s1h s LYS 44 Cb 0.00 0.00 -0.05 0.00 -1.46 0.00 0.00 37.83 36.32 1s1h s LYS 44 CO 0.00 -0.05 0.33 0.95 0.16 0.00 0.00 175.35 176.74 1s1h s THR 45 N 1.77 5.24 -0.01 3.43 -4.23 -1.21 -3.93 115.64 116.69 1s1h s THR 45 Ca 0.16 -0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.44 1s1h s THR 45 Cb 0.07 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 1s1h s THR 45 CO -0.15 0.01 0.47 -0.33 -0.54 0.00 0.00 174.62 174.08 1s1h h GLU 46 N 2.69 -0.15 -5.95 3.99 4.39 -1.29 -2.13 114.58 116.12 1s1h h GLU 46 Ca -0.46 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.18 1s1h h GLU 46 Cb 1.17 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1s1h h GLU 46 CO 0.72 -0.10 -0.99 0.28 -1.16 0.00 0.00 179.01 177.76 1s1h n VAL 47 N -2.91 -6.08 -3.71 3.13 0.31 -1.22 -3.91 118.33 103.95 1s1h n VAL 47 Ca -0.02 0.85 -0.37 0.00 -0.01 0.00 0.00 64.34 64.79 1s1h n VAL 47 Cb 0.06 -4.64 -0.10 0.00 -0.91 0.00 0.00 33.84 28.26 1s1h n VAL 47 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1s1h s ILE 48 N -1.42 3.66 0.21 2.52 2.07 -0.63 -2.49 121.20 125.12 1s1h s ILE 48 Ca 0.09 -2.55 -0.30 0.00 -1.41 0.00 0.00 60.65 56.48 1s1h s ILE 48 Cb -0.01 -3.42 -0.09 0.00 0.13 0.00 0.00 42.46 39.06 1s1h s ILE 48 CO 0.45 -0.81 1.36 0.27 -1.91 0.00 0.00 174.94 174.30 1s1h s ILE 49 N 0.46 3.02 -0.14 2.00 -4.36 -0.90 -3.82 121.20 117.46 1s1h s ILE 49 Ca 0.13 0.84 -0.06 0.00 -0.26 0.00 0.00 60.65 61.30 1s1h s ILE 49 Cb -0.21 -3.53 -0.04 0.00 1.25 0.00 0.00 42.46 39.93 1s1h s ILE 49 CO -0.04 0.12 0.06 -0.13 0.24 0.00 0.00 174.94 175.20 1s1h s ARG 50 N -0.11 3.54 0.04 0.37 0.52 -0.89 -2.54 118.95 119.88 1s1h s ARG 50 Ca 0.58 -0.32 -0.05 0.00 -0.52 0.00 0.00 55.73 55.43 1s1h s ARG 50 Cb -0.38 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 1s1h s ARG 50 CO 0.39 0.53 0.08 0.00 0.02 0.00 0.00 175.30 176.32 1s1h s ALA 51 N -0.35 -0.00 0.02 2.13 0.00 -0.65 -2.98 121.76 119.93 1s1h s ALA 51 Ca 0.09 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 1s1h s ALA 51 Cb -0.12 0.26 -0.21 0.00 0.00 0.00 0.00 23.12 23.06 1s1h s ALA 51 CO 0.02 -0.33 1.17 1.15 0.00 0.00 0.00 175.76 177.77 1s1h h THR 52 N 3.60 1.40 -3.52 0.00 2.02 -1.54 0.56 112.91 115.43 1s1h h THR 52 Ca -0.33 -1.94 -0.69 0.00 0.77 0.00 0.00 66.41 64.22 1s1h h THR 52 Cb 1.18 2.39 -0.36 0.00 -1.74 0.00 0.00 68.15 69.62 1s1h h THR 52 CO 0.52 0.57 -0.44 -0.13 0.37 0.00 0.00 175.52 176.41 1s1h s ARG 53 N -3.46 2.35 0.46 6.66 0.52 -0.78 -4.55 118.95 120.15 1s1h s ARG 53 Ca -0.13 -2.33 0.18 0.00 -0.52 0.00 0.00 55.73 52.92 1s1h s ARG 53 Cb 0.05 -3.65 1.10 0.00 0.52 0.00 0.00 34.95 32.96 1s1h s ARG 53 CO 0.82 -1.14 2.00 1.79 0.02 0.00 0.00 175.30 178.80 1s1h h THR 54 N 5.61 1.00 -0.32 0.02 1.35 -1.86 -2.50 112.91 116.20 1s1h h THR 54 Ca -0.05 -0.65 0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1s1h h THR 54 Cb 0.97 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1s1h h THR 54 CO 0.70 0.18 0.18 0.06 -0.25 0.00 0.00 175.52 176.39 1s1h h GLN 55 N 0.00 0.36 -1.00 4.72 3.07 -1.94 -1.27 115.11 119.05 1s1h h GLN 55 Ca -0.00 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.77 1s1h h GLN 55 Cb 0.35 -0.08 -0.06 0.00 0.08 0.00 0.00 27.48 27.77 1s1h h GLN 55 CO 0.02 0.24 0.65 0.22 0.09 0.00 0.00 178.83 180.05 1s1h h ASP 56 N 0.37 1.06 0.23 0.06 3.58 -1.81 -1.11 116.42 118.79 1s1h h ASP 56 Ca 0.13 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1s1h h ASP 56 Cb 0.02 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1s1h h ASP 56 CO -0.07 0.69 -0.11 0.58 -2.88 0.00 0.00 179.24 177.46 1s1h h VAL 57 N 1.21 0.85 -0.13 2.25 2.07 -1.45 -3.32 116.25 117.72 1s1h h VAL 57 Ca 0.42 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1s1h h VAL 57 Cb 0.10 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1s1h h VAL 57 CO -0.15 0.14 0.07 0.25 0.02 0.00 0.00 177.57 177.90 1s1h h LEU 58 N -0.64 0.11 0.00 2.57 5.85 -0.29 -3.32 115.31 119.60 1s1h h LEU 58 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1s1h h LEU 58 Cb 0.46 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1s1h h LEU 58 CO 0.05 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 178.85 1s1h n GLY 59 N -1.13 -2.44 3.69 3.75 0.00 -0.51 0.22 105.19 108.77 1s1h n GLY 59 Ca -0.05 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1s1h n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s1h s GLU 60 N -0.29 4.27 -2.17 1.61 2.12 -1.26 -3.57 118.70 119.41 1s1h s GLU 60 Ca 0.00 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1s1h s GLU 60 Cb 0.00 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1s1h s GLU 60 CO 0.00 -0.00 0.00 -1.71 -0.54 0.00 0.00 175.26 173.01 1s1h n ASN 61 N 4.24 -5.50 0.00 -1.70 2.85 -1.26 -1.02 115.26 112.88 1s1h n ASN 61 Ca -0.06 0.48 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 1s1h n ASN 61 Cb 0.51 -4.80 0.00 0.00 1.24 0.00 0.00 39.78 36.73 1s1h n ASN 61 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s1h n GLY 62 N -0.47 0.43 0.21 8.20 0.00 -1.23 -4.97 105.19 107.36 1s1h n GLY 62 Ca -0.21 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 1s1h n GLY 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1s1h h ARG 63 N 0.00 0.71 -0.29 1.61 -0.00 -1.15 -3.19 114.38 112.07 1s1h h ARG 63 Ca 0.00 -0.41 -0.17 0.00 -0.00 0.00 0.00 59.98 59.40 1s1h h ARG 63 Cb 0.62 0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 30.62 1s1h h ARG 63 CO 0.00 1.03 -0.50 -0.09 -0.00 0.00 0.00 179.97 180.40 1s1h h ARG 64 N 0.44 0.81 -0.30 0.08 2.43 -1.60 -2.75 114.38 113.49 1s1h h ARG 64 Ca 0.03 -0.49 0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1s1h h ARG 64 Cb 0.94 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1s1h h ARG 64 CO 0.08 1.12 0.21 0.97 -1.51 0.00 0.00 179.97 180.84 1s1h h ILE 65 N 0.64 0.91 -0.11 1.20 2.10 -0.32 0.24 117.51 122.16 1s1h h ILE 65 Ca 0.03 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 65.91 1s1h h ILE 65 Cb 1.09 0.79 -0.00 0.00 -1.09 0.00 0.00 36.82 37.60 1s1h h ILE 65 CO 0.11 0.02 -0.01 0.78 -1.08 0.00 0.00 178.15 177.97 1s1h h ASN 66 N 0.11 0.20 -0.17 2.19 -0.26 -1.47 -1.62 115.58 114.56 1s1h h ASN 66 Ca 0.14 -0.33 -0.02 0.00 -0.56 0.00 0.00 56.30 55.53 1s1h h ASN 66 Cb 0.40 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 1s1h h ASN 66 CO -0.02 0.48 0.03 -0.08 -1.06 0.00 0.00 177.43 176.79 1s1h h GLU 67 N -0.09 0.28 -0.02 0.81 4.81 -0.50 0.27 114.58 120.14 1s1h h GLU 67 Ca 0.03 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1s1h h GLU 67 Cb 0.38 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1s1h h GLU 67 CO 0.01 0.45 0.01 -0.07 -0.73 0.00 0.00 179.01 178.68 1s1h h LEU 68 N 0.08 0.03 -1.35 1.64 3.38 -1.24 0.69 115.31 118.54 1s1h h LEU 68 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1s1h h LEU 68 Cb 0.30 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1s1h h LEU 68 CO 0.00 0.06 0.40 0.00 0.09 0.00 0.00 178.44 178.99 1s1h h THR 69 N -0.00 1.17 -0.42 0.22 1.03 -1.15 0.40 112.91 114.15 1s1h h THR 69 Ca 0.01 -0.34 -0.13 0.00 -0.01 0.00 0.00 66.41 65.94 1s1h h THR 69 Cb 0.03 0.25 -0.01 0.00 -1.07 0.00 0.00 68.15 67.36 1s1h h THR 69 CO -0.00 0.17 -0.23 0.25 -0.01 0.00 0.00 175.52 175.70 1s1h h LEU 70 N 0.86 0.94 -1.38 0.00 5.85 0.14 -2.61 115.31 119.11 1s1h h LEU 70 Ca 0.23 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1s1h h LEU 70 Cb -0.07 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1s1h h LEU 70 CO -0.05 1.14 0.45 -0.07 -0.34 0.00 0.00 178.44 179.57 1s1h h LEU 71 N 0.73 0.70 -0.72 2.25 4.07 0.43 -0.38 115.31 122.39 1s1h h LEU 71 Ca 0.09 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.07 1s1h h LEU 71 Cb 0.80 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 1s1h h LEU 71 CO 0.07 0.49 0.45 0.58 -1.08 0.00 0.00 178.44 178.95 1s1h h VAL 72 N 0.82 1.11 -0.44 1.22 2.07 -0.23 -1.89 116.25 118.92 1s1h h VAL 72 Ca 0.27 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1s1h h VAL 72 Cb 0.05 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1s1h h VAL 72 CO -0.07 0.16 0.10 -0.61 0.02 0.00 0.00 177.57 177.17 1s1h h GLN 73 N 0.89 0.66 -0.31 1.57 -0.00 -0.90 0.70 115.11 117.72 1s1h h GLN 73 Ca 0.28 -0.12 0.02 0.00 -0.00 0.00 0.00 58.65 58.83 1s1h h GLN 73 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.35 1s1h h GLN 73 CO -0.10 0.61 0.16 -0.22 0.00 0.00 0.00 178.83 179.28 1s1h h LYS 74 N 0.64 0.33 -0.37 1.69 3.64 -1.06 -2.19 116.57 119.25 1s1h h LYS 74 Ca 0.14 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1s1h h LYS 74 Cb 0.26 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1s1h h LYS 74 CO -0.00 0.22 -0.35 0.00 -2.27 0.00 0.00 179.45 177.04 1s1h h ARG 75 N 0.34 0.90 -4.07 1.90 -0.00 -1.10 -3.36 114.38 108.98 1s1h h ARG 75 Ca 0.12 -0.47 -0.76 0.00 -0.50 0.00 0.00 59.98 58.38 1s1h h ARG 75 Cb 0.02 0.01 -0.26 0.00 0.00 0.00 0.00 29.97 29.75 1s1h h ARG 75 CO -0.07 1.12 -0.20 -0.06 0.00 0.00 0.00 179.97 180.75 1s1h s PHE 76 N -4.41 3.39 0.00 3.04 0.40 0.23 -4.91 117.98 115.72 1s1h s PHE 76 Ca -0.11 -1.59 0.00 0.00 -0.60 0.00 0.00 56.93 54.62 1s1h s PHE 76 Cb 0.11 -3.72 0.00 0.00 0.51 0.00 0.00 43.02 39.92 1s1h s PHE 76 CO 0.87 -1.00 0.00 1.63 0.70 0.00 0.00 175.22 177.42 1s1h n LYS 77 N 4.88 1.00 -0.08 0.44 4.76 -1.15 -4.34 118.16 123.67 1s1h n LYS 77 Ca -0.07 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.30 1s1h n LYS 77 Cb 0.41 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.71 1s1h n LYS 77 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 1s1h h TYR 78 N -0.16 0.84 -0.21 2.13 -0.00 -1.89 0.79 116.97 118.47 1s1h h TYR 78 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 58.73 58.55 1s1h h TYR 78 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 36.52 1s1h h TYR 78 CO 0.00 0.89 0.14 0.00 -0.00 0.00 0.00 178.16 179.19 1s1h h ALA 79 N 1.11 0.27 -0.03 0.10 0.00 -1.99 0.24 119.26 118.96 1s1h h ALA 79 Ca 0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1s1h h ALA 79 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1s1h h ALA 79 CO 0.05 -0.26 -0.49 -1.35 0.00 0.00 0.00 179.25 177.20 1s1h h PRO 80 N 0.28 0.08 0.00 0.00 0.11 -1.82 -3.47 132.00 127.18 1s1h h PRO 80 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1s1h h PRO 80 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1s1h h PRO 80 CO -0.02 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 1s1h n GLY 81 N -0.08 0.06 3.73 -0.55 0.00 0.27 -4.52 105.19 104.10 1s1h n GLY 81 Ca -0.02 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 1s1h n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s1h n THR 82 N 0.62 4.90 -4.26 2.61 -1.04 -1.25 -4.60 114.28 111.26 1s1h n THR 82 Ca 0.00 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 61.34 1s1h n THR 82 Cb 0.00 -1.49 -0.11 0.00 -1.82 0.00 0.00 70.33 66.91 1s1h n THR 82 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1s1h s ILE 83 N -1.38 1.36 0.05 12.58 1.01 -1.26 -3.04 121.20 130.51 1s1h s ILE 83 Ca 0.82 -1.85 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1s1h s ILE 83 Cb -0.38 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1s1h s ILE 83 CO 0.41 -0.50 0.06 1.33 0.00 0.00 0.00 174.94 176.24 1s1h n VAL 84 N 0.27 0.00 -3.18 2.92 0.24 -0.80 -4.92 118.33 112.86 1s1h n VAL 84 Ca -0.13 -0.12 0.02 0.00 -2.04 0.00 0.00 64.34 62.06 1s1h n VAL 84 Cb 0.58 -1.15 -0.01 0.00 -1.47 0.00 0.00 33.84 31.79 1s1h n VAL 84 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1s1h s LEU 85 N 0.00 -1.55 0.23 1.34 1.98 -1.25 -4.70 118.68 114.73 1s1h s LEU 85 Ca 0.04 -0.21 -0.10 0.00 -2.89 0.00 0.00 54.13 50.98 1s1h s LEU 85 Cb -0.00 1.96 -0.07 0.00 0.66 0.00 0.00 46.19 48.73 1s1h s LEU 85 CO 0.03 -0.25 0.55 -0.31 -1.89 0.00 0.00 176.35 174.48 1s1h s TYR 86 N 2.45 3.42 -0.04 5.38 1.51 -1.04 -4.99 117.35 124.04 1s1h s TYR 86 Ca 0.12 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 57.06 1s1h s TYR 86 Cb -0.08 -2.26 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1s1h s TYR 86 CO -0.19 0.26 -0.01 0.00 -1.11 0.00 0.00 175.55 174.50 1s1h s ALA 87 N -1.83 0.46 0.10 3.71 0.00 -1.26 -2.11 121.76 120.83 1s1h s ALA 87 Ca 0.47 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.58 1s1h s ALA 87 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1s1h s ALA 87 CO 0.21 -0.11 -0.15 -1.21 0.00 0.00 0.00 175.76 174.50 1s1h s GLU 88 N 1.13 1.96 0.32 0.00 2.02 -1.05 -5.02 118.70 118.06 1s1h s GLU 88 Ca -0.08 -1.09 -0.22 0.00 0.02 0.00 0.00 54.97 53.60 1s1h s GLU 88 Cb -0.14 -2.20 -0.10 0.00 0.10 0.00 0.00 34.13 31.80 1s1h s GLU 88 CO -0.02 0.50 0.86 1.03 0.02 0.00 0.00 175.26 177.66 1s1h s ARG 89 N -2.06 4.35 -0.28 1.61 0.52 -1.26 -1.64 118.95 120.19 1s1h s ARG 89 Ca 0.19 1.09 -0.20 0.00 -0.52 0.00 0.00 55.73 56.29 1s1h s ARG 89 Cb -0.11 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 1s1h s ARG 89 CO 0.11 0.23 0.59 0.08 0.02 0.00 0.00 175.30 176.33 1s1h s VAL 90 N -1.76 4.99 -0.02 3.52 1.01 0.20 -4.81 120.40 123.53 1s1h s VAL 90 Ca 0.51 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 1s1h s VAL 90 Cb -0.15 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1s1h s VAL 90 CO 0.20 -0.03 1.18 -1.10 0.00 0.00 0.00 175.10 175.34 1s1h s GLN 91 N 2.49 4.39 -0.17 2.72 1.11 -1.26 -4.15 119.66 124.79 1s1h s GLN 91 Ca 0.24 1.68 -0.01 0.00 0.01 0.00 0.00 55.36 57.28 1s1h s GLN 91 Cb -0.15 -3.49 0.00 0.00 -1.01 0.00 0.00 33.01 28.36 1s1h s GLN 91 CO 0.10 -0.36 0.01 -3.47 0.01 0.00 0.00 175.29 171.59 1s1h n ASP 92 N 4.73 -7.03 0.27 5.90 2.03 -1.26 -4.73 116.55 116.46 1s1h n ASP 92 Ca 0.10 1.02 0.17 0.00 0.52 0.00 0.00 54.79 56.60 1s1h n ASP 92 Cb 0.47 -3.74 0.94 0.00 -0.72 0.00 0.00 41.12 38.06 1s1h n ASP 92 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1s1h h ARG 93 N 3.41 0.00 0.00 -0.67 1.12 -1.96 -1.70 114.38 114.59 1s1h h ARG 93 Ca -0.03 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1s1h h ARG 93 Cb 0.46 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1s1h h ARG 93 CO 0.05 0.00 -0.03 0.78 -3.11 0.00 0.00 179.97 177.66 1s1h h GLY 94 N 0.00 0.00 1.76 2.80 0.00 -1.95 -1.28 103.07 104.41 1s1h h GLY 94 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1s1h h GLY 94 CO -0.00 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 177.73 1s1h h LEU 95 N 0.00 0.00 -8.99 3.11 3.38 -1.59 -3.40 115.31 107.83 1s1h h LEU 95 Ca -0.00 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.35 1s1h h LEU 95 Cb 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 1s1h h LEU 95 CO 0.00 0.01 0.38 -0.44 0.09 0.00 0.00 178.44 178.48 1s1h s SER 96 N -5.57 6.72 0.24 -0.43 0.01 -0.48 -4.90 113.70 109.29 1s1h s SER 96 Ca 0.06 0.84 -0.06 0.00 1.31 0.00 0.00 55.95 58.10 1s1h s SER 96 Cb 0.08 -2.40 0.27 0.00 0.21 0.00 0.00 66.02 64.17 1s1h s SER 96 CO 0.68 -0.52 1.91 0.00 0.41 0.00 0.00 173.24 175.72 1s1h h ALA 97 N 7.87 1.23 -0.45 1.44 0.00 -1.86 0.28 119.26 127.77 1s1h h ALA 97 Ca -0.24 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1s1h h ALA 97 Cb 1.10 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1s1h h ALA 97 CO 0.85 0.56 0.29 -0.39 0.00 0.00 0.00 179.25 180.56 1s1h h VAL 98 N 1.25 1.09 -0.25 0.00 -1.51 -1.87 0.22 116.25 115.18 1s1h h VAL 98 Ca 0.36 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 65.58 1s1h h VAL 98 Cb -0.09 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 29.52 1s1h h VAL 98 CO -0.10 0.11 -0.04 0.00 -1.23 0.00 0.00 177.57 176.31 1s1h h ALA 99 N 1.18 0.34 -0.99 5.19 0.00 -1.40 -0.17 119.26 123.41 1s1h h ALA 99 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s1h h ALA 99 Cb -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1s1h h ALA 99 CO -0.06 0.11 0.64 0.37 0.00 0.00 0.00 179.25 180.31 1s1h h GLN 100 N 0.22 1.31 -0.11 0.00 -0.00 0.03 0.82 115.11 117.37 1s1h h GLN 100 Ca 0.07 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1s1h h GLN 100 Cb 0.48 -0.29 -0.00 0.00 0.00 0.00 0.00 27.48 27.67 1s1h h GLN 100 CO 0.02 0.89 0.02 0.00 0.00 0.00 0.00 178.83 179.76 1s1h h ALA 101 N 1.35 0.15 -0.86 3.38 0.00 -0.39 -1.76 119.26 121.13 1s1h h ALA 101 Ca 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1s1h h ALA 101 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1s1h h ALA 101 CO -0.07 -0.21 0.51 0.93 0.00 0.00 0.00 179.25 180.40 1s1h h GLU 102 N -0.04 1.17 0.07 0.00 5.08 0.47 0.47 114.58 121.80 1s1h h GLU 102 Ca 0.03 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1s1h h GLU 102 Cb 0.27 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1s1h h GLU 102 CO 0.00 0.83 -0.12 1.03 -1.00 0.00 0.00 179.01 179.75 1s1h h SER 103 N 1.19 -0.34 -0.31 1.42 0.87 0.85 0.15 113.55 117.38 1s1h h SER 103 Ca 0.31 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1s1h h SER 103 Cb -0.03 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1s1h h SER 103 CO -0.06 -0.18 -0.15 0.24 -0.53 0.00 0.00 176.83 176.15 1s1h h MET 104 N -0.24 0.76 -0.84 2.24 2.86 -0.34 -2.70 114.93 116.67 1s1h h MET 104 Ca 0.02 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1s1h h MET 104 Cb 0.26 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1s1h h MET 104 CO -0.07 0.87 0.50 0.87 1.06 0.00 0.00 176.91 180.15 1s1h h LYS 105 N 0.68 1.15 -0.11 1.72 1.79 0.93 -1.68 116.57 121.05 1s1h h LYS 105 Ca 0.11 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s1h h LYS 105 Cb 0.64 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1s1h h LYS 105 CO 0.04 0.80 0.05 0.74 -1.08 0.00 0.00 179.45 180.01 1s1h h PHE 106 N 1.16 0.16 -0.92 -1.35 0.04 -0.44 -2.17 116.94 113.42 1s1h h PHE 106 Ca 0.30 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.10 1s1h h PHE 106 Cb -0.04 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 1s1h h PHE 106 CO 0.01 0.22 0.60 0.87 -0.60 0.00 0.00 178.31 179.41 1s1h h LYS 107 N 0.05 1.11 -0.69 1.51 1.57 -1.17 0.46 116.57 119.41 1s1h h LYS 107 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1s1h h LYS 107 Cb 0.12 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1s1h h LYS 107 CO -0.00 0.74 0.40 1.25 -0.57 0.00 0.00 179.45 181.27 1s1h h LEU 108 N 1.15 0.83 -1.09 2.94 5.85 -1.04 0.18 115.31 124.12 1s1h h LEU 108 Ca 0.37 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1s1h h LEU 108 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1s1h h LEU 108 CO -0.11 0.65 0.26 0.25 -0.34 0.00 0.00 178.44 179.14 1s1h h LEU 109 N 0.95 0.82 -1.58 2.25 5.85 0.52 0.14 115.31 124.26 1s1h h LEU 109 Ca 0.25 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1s1h h LEU 109 Cb -0.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1s1h h LEU 109 CO -0.04 0.73 -0.12 0.78 -0.34 0.00 0.00 178.44 179.44 1s1h h ASN 110 N 0.89 0.10 -0.00 1.25 4.21 0.34 -3.46 115.58 118.91 1s1h h ASN 110 Ca 0.21 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1s1h h ASN 110 Cb 0.16 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1s1h h ASN 110 CO -0.02 0.24 0.00 0.61 -1.29 0.00 0.00 177.43 176.97 1s1h n GLY 111 N -1.04 1.87 3.88 2.83 0.00 0.04 -5.10 105.19 107.67 1s1h n GLY 111 Ca -0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1s1h n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1h s LEU 112 N -0.00 3.30 0.04 0.99 1.43 -1.02 -4.96 118.68 118.45 1s1h s LEU 112 Ca 0.00 1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 54.13 1s1h s LEU 112 Cb 0.00 -4.36 -0.08 0.00 0.03 0.00 0.00 46.19 41.77 1s1h s LEU 112 CO 0.00 -0.82 1.86 0.00 0.23 0.00 0.00 176.35 177.61 1s1h s ALA 113 N -3.11 3.63 0.11 4.21 0.00 -1.26 -4.77 121.76 120.58 1s1h s ALA 113 Ca 0.54 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.62 1s1h s ALA 113 Cb -0.11 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 1s1h s ALA 113 CO 0.52 -1.44 1.48 0.97 0.00 0.00 0.00 175.76 177.30 1s1h h ILE 114 N 5.38 1.29 -0.50 0.00 6.09 -1.97 -0.92 117.51 126.88 1s1h h ILE 114 Ca -0.46 -1.30 0.03 0.00 -1.37 0.00 0.00 64.86 61.76 1s1h h ILE 114 Cb 1.22 1.38 -0.04 0.00 0.47 0.00 0.00 36.82 39.85 1s1h h ILE 114 CO 0.94 0.42 0.28 -0.09 -3.07 0.00 0.00 178.15 176.64 1s1h h ARG 115 N 0.52 0.54 -0.45 2.19 2.43 -1.98 0.86 114.38 118.49 1s1h h ARG 115 Ca 0.08 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1s1h h ARG 115 Cb 0.72 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1s1h h ARG 115 CO 0.05 0.36 -0.01 0.00 -1.51 0.00 0.00 179.97 178.86 1s1h h ARG 116 N 0.56 0.79 -0.74 0.20 3.08 -1.93 -1.31 114.38 115.03 1s1h h ARG 116 Ca 0.21 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1s1h h ARG 116 Cb 0.06 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1s1h h ARG 116 CO -0.11 0.86 0.49 0.00 -1.07 0.00 0.00 179.97 180.13 1s1h h ALA 117 N 0.91 1.59 -0.35 0.04 0.00 -0.10 0.26 119.26 121.60 1s1h h ALA 117 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1s1h h ALA 117 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s1h h ALA 117 CO 0.02 0.33 0.07 0.00 0.00 0.00 0.00 179.25 179.68 1s1h h ALA 118 N 1.57 0.47 -0.46 0.00 0.00 -0.33 -1.49 119.26 119.02 1s1h h ALA 118 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s1h h ALA 118 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1s1h h ALA 118 CO -0.09 0.15 0.29 1.88 0.00 0.00 0.00 179.25 181.48 1s1h h TYR 119 N 0.42 0.60 -0.34 0.00 0.05 0.50 -0.36 116.97 117.85 1s1h h TYR 119 Ca 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 1s1h h TYR 119 Cb 0.32 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1s1h h TYR 119 CO 0.02 0.41 0.21 0.78 -1.05 0.00 0.00 178.16 178.53 1s1h h GLY 120 N 0.62 0.49 1.01 3.88 0.00 -0.52 0.17 103.07 108.71 1s1h h GLY 120 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1s1h h GLY 120 CO -0.03 0.19 0.32 -0.39 0.00 0.00 0.00 176.54 176.63 1s1h h VAL 121 N 0.44 1.23 -0.66 4.60 -1.51 -0.58 0.42 116.25 120.20 1s1h h VAL 121 Ca 0.12 -0.67 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1s1h h VAL 121 Cb -0.01 0.40 -0.03 0.00 -2.13 0.00 0.00 31.29 29.53 1s1h h VAL 121 CO -0.02 0.28 0.29 -0.37 -1.23 0.00 0.00 177.57 176.51 1s1h h VAL 122 N 0.96 1.22 -0.32 7.19 -1.51 -0.51 -1.13 116.25 122.16 1s1h h VAL 122 Ca 0.23 -0.66 -0.02 0.00 -1.23 0.00 0.00 66.70 65.02 1s1h h VAL 122 Cb 0.14 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 1s1h h VAL 122 CO -0.03 0.27 0.11 0.03 -1.23 0.00 0.00 177.57 176.73 1s1h h ARG 123 N 0.94 0.48 -0.09 5.19 3.08 0.18 0.46 114.38 124.62 1s1h h ARG 123 Ca 0.23 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1s1h h ARG 123 Cb 0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1s1h h ARG 123 CO -0.02 0.51 0.05 -0.92 -1.07 0.00 0.00 179.97 178.51 1s1h h TYR 124 N 0.36 0.12 -0.63 3.04 3.20 0.30 0.89 116.97 124.25 1s1h h TYR 124 Ca 0.10 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1s1h h TYR 124 Cb 0.21 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1s1h h TYR 124 CO 0.00 0.16 0.32 0.28 -1.64 0.00 0.00 178.16 177.28 1s1h h VAL 125 N 0.06 1.21 -0.43 1.81 2.07 -1.08 -0.96 116.25 118.93 1s1h h VAL 125 Ca 0.03 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1s1h h VAL 125 Cb 0.07 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1s1h h VAL 125 CO -0.01 0.24 -0.08 -0.03 0.02 0.00 0.00 177.57 177.71 1s1h h MET 126 N 0.86 0.75 -0.42 1.57 1.85 0.44 -3.10 114.93 116.88 1s1h h MET 126 Ca 0.22 -0.23 -0.08 0.00 -0.61 0.00 0.00 59.70 58.99 1s1h h MET 126 Cb 0.09 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 1s1h h MET 126 CO -0.03 0.82 -0.08 1.49 -0.40 0.00 0.00 176.91 178.71 1s1h h GLU 127 N 0.69 0.74 -4.67 0.39 4.57 0.21 -3.38 114.58 113.13 1s1h h GLU 127 Ca 0.12 -0.22 -0.68 0.00 -1.18 0.00 0.00 59.36 57.40 1s1h h GLU 127 Cb 0.54 -0.07 -0.36 0.00 -0.16 0.00 0.00 28.75 28.70 1s1h h GLU 127 CO 0.03 0.80 -0.67 -1.54 -1.18 0.00 0.00 179.01 176.45 1s1h s SER 128 N -6.69 4.91 0.76 1.04 1.04 -0.64 -5.01 113.70 109.11 1s1h s SER 128 Ca -0.09 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 54.54 1s1h s SER 128 Cb 0.14 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1s1h s SER 128 CO 0.81 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 175.26 1s1h n GLY 129 N 4.48 1.29 2.01 7.32 0.00 -1.26 -4.80 105.19 114.22 1s1h n GLY 129 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1s1h n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1h n ALA 130 N 9.33 -1.36 0.19 4.61 0.00 -1.26 -4.71 120.51 127.31 1s1h n ALA 130 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.65 1s1h n ALA 130 Cb 0.00 -0.86 0.37 0.00 0.00 0.00 0.00 19.45 18.97 1s1h n ALA 130 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1s1h h LYS 131 N 3.94 0.00 -2.43 0.00 1.57 -1.73 -3.46 116.57 114.47 1s1h h LYS 131 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1s1h h LYS 131 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1s1h h LYS 131 CO 0.00 0.35 0.36 0.20 -0.57 0.00 0.00 179.45 179.79 1s1h s GLY 132 N -4.30 -0.52 0.14 3.86 0.00 -1.17 -3.08 107.32 102.26 1s1h s GLY 132 Ca -0.03 0.97 -0.18 0.00 0.00 0.00 0.00 44.72 45.49 1s1h s GLY 132 CO 0.72 0.43 0.46 0.00 0.00 0.00 0.00 173.10 174.71 1s1h s GLU 134 N -3.81 0.86 0.03 0.00 -6.30 -0.09 -1.34 118.70 108.06 1s1h s GLU 134 Ca 0.04 0.78 0.05 0.00 -2.50 0.00 0.00 54.97 53.34 1s1h s GLU 134 Cb 0.01 0.42 -0.02 0.00 0.00 0.00 0.00 34.13 34.54 1s1h s GLU 134 CO -0.11 -0.15 -0.16 0.08 0.02 0.00 0.00 175.26 174.94 1s1h s VAL 135 N -0.04 1.26 -0.02 3.70 1.01 -0.61 0.02 120.40 125.71 1s1h s VAL 135 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1s1h s VAL 135 Cb -0.04 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1s1h s VAL 135 CO 0.03 0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.50 1s1h s VAL 136 N -0.71 0.60 0.05 2.92 1.01 0.79 -3.73 120.40 121.33 1s1h s VAL 136 Ca 0.04 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1s1h s VAL 136 Cb -0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1s1h s VAL 136 CO 0.01 0.20 -0.14 -0.69 0.00 0.00 0.00 175.10 174.49 1s1h s VAL 137 N 0.32 3.12 0.00 2.92 1.01 -0.93 -0.07 120.40 126.77 1s1h s VAL 137 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1s1h s VAL 137 Cb -0.09 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1s1h s VAL 137 CO 0.00 0.29 0.00 -1.54 0.00 0.00 0.00 175.10 173.85 1s1h n SER 138 N 1.32 0.00 -3.03 3.32 3.41 0.24 -2.31 113.62 116.57 1s1h n SER 138 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 1s1h n SER 138 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 1s1h n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s1h n GLY 139 N 3.66 3.62 3.04 5.00 0.00 -1.05 -3.66 105.19 115.80 1s1h n GLY 139 Ca 0.00 -2.25 -0.18 0.00 0.00 0.00 0.00 46.02 43.59 1s1h n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s1h n LYS 140 N -0.65 -5.83 -1.77 1.61 5.02 -1.25 -4.70 118.16 110.59 1s1h n LYS 140 Ca -0.06 0.62 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 1s1h n LYS 140 Cb 0.24 -5.01 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 1s1h n LYS 140 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1s1h s LEU 141 N -5.65 4.37 -1.38 -0.35 0.20 -1.26 -0.73 118.68 113.87 1s1h s LEU 141 Ca 0.43 2.84 -0.05 0.00 0.69 0.00 0.00 54.13 58.04 1s1h s LEU 141 Cb -0.19 -3.60 0.03 0.00 -0.43 0.00 0.00 46.19 41.99 1s1h s LEU 141 CO 0.53 -0.94 0.38 -2.11 -0.29 0.00 0.00 176.35 173.92 1s1h n ARG 142 N 3.72 -3.50 -1.71 1.98 1.85 -1.26 0.75 116.66 118.49 1s1h n ARG 142 Ca 0.14 0.71 -0.20 0.00 -1.00 0.00 0.00 57.85 57.50 1s1h n ARG 142 Cb 0.36 -5.44 -0.08 0.00 -1.05 0.00 0.00 32.46 26.25 1s1h n ARG 142 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s1h n ALA 143 N -3.11 -0.35 -2.39 2.89 0.00 0.09 -4.94 120.51 112.70 1s1h n ALA 143 Ca -0.10 0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.61 1s1h n ALA 143 Cb 0.60 -2.03 0.02 0.00 0.00 0.00 0.00 19.45 18.03 1s1h n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1h n ALA 144 N 0.88 0.05 -1.53 0.00 0.00 0.23 -5.02 120.51 115.12 1s1h n ALA 144 Ca -0.21 -0.31 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 1s1h n ALA 144 Cb 0.67 0.06 0.07 0.00 0.00 0.00 0.00 19.45 20.24 1s1h n ALA 144 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s1h n ARG 145 N -1.28 0.73 -1.78 0.00 3.00 -1.26 -4.15 116.66 111.93 1s1h n ARG 145 Ca 0.03 0.30 -0.41 0.00 -0.00 0.00 0.00 57.85 57.76 1s1h n ARG 145 Cb 0.09 -2.18 -0.01 0.00 0.00 0.00 0.00 32.46 30.36 1s1h n ARG 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s1h s ALA 146 N -1.63 3.72 0.00 5.13 0.00 -1.26 -3.78 121.76 123.95 1s1h s ALA 146 Ca 0.75 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.29 1s1h s ALA 146 Cb -0.39 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.09 1s1h s ALA 146 CO 0.48 -1.00 0.00 1.63 0.00 0.00 0.00 175.76 176.87 1s1h n LYS 147 N 1.93 0.00 -3.87 0.00 5.02 -1.26 -4.66 118.16 115.32 1s1h n LYS 147 Ca 0.07 -0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 1s1h n LYS 147 Cb 0.38 0.03 -0.11 0.00 -0.02 0.00 0.00 35.03 35.31 1s1h n LYS 147 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s1h s ALA 148 N -1.96 -0.26 0.16 7.82 0.00 -1.24 -2.54 121.76 123.73 1s1h s ALA 148 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1s1h s ALA 148 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1s1h s ALA 148 CO 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 175.76 175.48 1s1h s MET 149 N -0.92 1.15 0.00 0.00 0.23 -0.98 -4.98 119.30 113.80 1s1h s MET 149 Ca -0.10 -1.44 0.00 0.00 -1.03 0.00 0.00 55.69 53.12 1s1h s MET 149 Cb -0.06 -0.89 0.00 0.00 -1.53 0.00 0.00 34.83 32.36 1s1h s MET 149 CO 0.01 0.14 0.00 1.63 -2.03 0.00 0.00 175.02 174.77 1s1h n LYS 150 N -0.05 1.89 0.00 3.16 5.02 -1.26 -2.20 118.16 124.73 1s1h n LYS 150 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1s1h n LYS 150 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1s1h n LYS 150 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1s1h n PHE 151 N 0.00 0.00 -3.50 2.13 3.72 -1.24 -4.62 117.46 113.94 1s1h n PHE 151 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1s1h n PHE 151 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1s1h n PHE 151 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s1h s ALA 152 N -0.10 -1.78 -0.10 4.37 0.00 -1.26 -1.57 121.76 121.32 1s1h s ALA 152 Ca 0.00 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 1s1h s ALA 152 Cb 0.00 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.44 1s1h s ALA 152 CO 0.00 -0.60 0.47 0.16 0.00 0.00 0.00 175.76 175.78 1s1h s ASP 153 N -2.14 -0.43 0.00 0.00 1.47 -0.45 -5.00 116.67 110.12 1s1h s ASP 153 Ca 0.01 0.62 0.00 0.00 1.18 0.00 0.00 52.55 54.36 1s1h s ASP 153 Cb -0.01 0.67 0.00 0.00 -0.34 0.00 0.00 42.92 43.24 1s1h s ASP 153 CO -0.06 -0.35 0.00 0.61 0.68 0.00 0.00 175.17 176.05 1s1h n GLY 154 N 1.90 -1.60 3.55 2.12 0.00 -1.26 -0.93 105.19 108.96 1s1h n GLY 154 Ca -0.17 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 1s1h n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s1h s PHE 155 N -1.84 2.20 -0.27 1.61 0.40 -1.18 -4.53 117.98 114.37 1s1h s PHE 155 Ca 0.00 0.02 0.19 0.00 -0.60 0.00 0.00 56.93 56.54 1s1h s PHE 155 Cb 0.00 -4.54 0.22 0.00 0.51 0.00 0.00 43.02 39.21 1s1h s PHE 155 CO 0.00 -2.10 1.53 -0.07 0.70 0.00 0.00 175.22 175.29 1s1h h LEU 156 N 13.64 0.00-10.14 -0.37 4.07 -1.88 -3.38 115.31 117.26 1s1h h LEU 156 Ca -0.22 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.19 1s1h h LEU 156 Cb 1.06 0.00 0.15 0.00 1.08 0.00 0.00 40.66 42.96 1s1h h LEU 156 CO 1.28 0.27 0.46 -0.63 -1.08 0.00 0.00 178.44 178.75 1s1h s ILE 157 N -3.10 2.20 -0.02 1.22 1.01 -1.26 0.11 121.20 121.36 1s1h s ILE 157 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1s1h s ILE 157 Cb 0.07 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.64 1s1h s ILE 157 CO 0.71 -0.04 0.00 1.41 0.00 0.00 0.00 174.94 177.02 1s1h n HIS 158 N -2.22 0.00 -4.11 3.97 8.25 -1.26 -4.97 115.22 114.87 1s1h n HIS 158 Ca 0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.52 1s1h n HIS 158 Cb 0.49 -0.78 -0.10 0.00 1.12 0.00 0.00 29.99 30.73 1s1h n HIS 158 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1s1h s SER 159 N -2.02 0.35 0.00 0.41 1.04 0.29 -4.66 113.70 109.11 1s1h s SER 159 Ca 0.00 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1s1h s SER 159 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1s1h s SER 159 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1s1h n GLY 160 N -0.03 2.19 3.69 7.32 0.00 -1.26 -4.90 105.19 112.20 1s1h n GLY 160 Ca -0.09 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1s1h n GLY 160 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s1h s GLN 161 N 0.00 4.43 0.58 1.61 -1.52 -1.26 -4.91 119.66 118.59 1s1h s GLN 161 Ca 0.00 1.26 0.28 0.00 -1.95 0.00 0.00 55.36 54.95 1s1h s GLN 161 Cb 0.00 -3.52 1.53 0.00 -0.22 0.00 0.00 33.01 30.80 1s1h s GLN 161 CO 0.00 -0.22 1.99 -1.00 -0.25 0.00 0.00 175.29 175.81 1s1h h PRO 162 N 7.04 0.00 -5.43 2.91 0.13 -1.95 -3.41 132.00 131.29 1s1h h PRO 162 Ca -0.34 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.59 1s1h h PRO 162 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1s1h h PRO 162 CO 0.82 0.00 0.73 1.55 -0.23 0.00 0.00 178.00 180.87 1s1h n VAL 163 N -3.87 -0.04 -4.09 1.56 3.14 -1.26 -3.40 118.33 110.38 1s1h n VAL 163 Ca 0.06 -0.61 -0.31 0.00 -2.96 0.00 0.00 64.34 60.52 1s1h n VAL 163 Cb 0.53 -2.24 -0.04 0.00 -1.06 0.00 0.00 33.84 31.03 1s1h n VAL 163 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1s1h n ASN 164 N 17.22 -0.77 -0.05 6.55 4.13 -1.26 -4.88 115.26 136.19 1s1h n ASN 164 Ca 0.44 -1.15 -0.12 0.00 1.68 0.00 0.00 54.58 55.42 1s1h n ASN 164 Cb 0.46 -2.34 -0.07 0.00 -1.54 0.00 0.00 39.78 36.30 1s1h n ASN 164 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1s1h h ASP 165 N -1.93 0.29 -5.65 6.41 3.32 -1.78 -2.42 116.42 114.66 1s1h h ASP 165 Ca -0.66 -0.41 -0.31 0.00 0.02 0.00 0.00 57.03 55.68 1s1h h ASP 165 Cb 1.39 -0.08 0.17 0.00 0.22 0.00 0.00 39.33 41.02 1s1h h ASP 165 CO 0.63 0.63 -0.84 0.49 -1.72 0.00 0.00 179.24 178.43 1s1h n PHE 166 N -4.68 -2.28 -3.64 4.55 3.01 -1.26 -3.96 117.46 109.21 1s1h n PHE 166 Ca -0.06 0.84 -0.38 0.00 1.01 0.00 0.00 57.45 58.86 1s1h n PHE 166 Cb 0.28 -4.38 -0.12 0.00 -0.01 0.00 0.00 39.48 35.26 1s1h n PHE 166 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1s1h s ILE 167 N -3.42 4.80 0.23 4.37 -1.09 -1.26 -2.97 121.20 121.86 1s1h s ILE 167 Ca 0.28 -0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 58.18 1s1h s ILE 167 Cb -0.05 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 1s1h s ILE 167 CO 0.76 0.15 1.04 -0.62 -1.23 0.00 0.00 174.94 175.04 1s1h s ASP 168 N 1.66 7.39 0.04 3.58 -1.08 0.44 -4.82 116.67 123.89 1s1h s ASP 168 Ca 0.06 2.10 0.08 0.00 -0.52 0.00 0.00 52.55 54.27 1s1h s ASP 168 Cb -0.16 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.66 1s1h s ASP 168 CO 0.07 -0.07 -0.24 0.28 0.52 0.00 0.00 175.17 175.74 1s1h s THR 169 N -0.86 1.91 -0.03 1.71 -1.32 -1.26 -1.22 115.64 114.56 1s1h s THR 169 Ca 0.45 -1.27 -0.17 0.00 -1.21 0.00 0.00 61.69 59.49 1s1h s THR 169 Cb -0.29 -1.63 0.03 0.00 -1.51 0.00 0.00 72.50 69.10 1s1h s THR 169 CO 0.36 0.31 0.38 0.00 -2.21 0.00 0.00 174.62 173.46 1s1h s ALA 170 N -0.77 -0.96 -0.00 11.08 0.00 -0.16 -4.54 121.76 126.40 1s1h s ALA 170 Ca 0.10 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.68 1s1h s ALA 170 Cb -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1s1h s ALA 170 CO 0.02 -0.27 -0.19 0.95 0.00 0.00 0.00 175.76 176.26 1s1h s THR 171 N -1.17 1.53 0.00 0.00 -4.23 -1.26 0.13 115.64 110.65 1s1h s THR 171 Ca -0.12 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1s1h s THR 171 Cb -0.04 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 1s1h s THR 171 CO 0.05 0.38 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.84 1s1h s ARG 172 N -0.59 0.57 0.51 3.99 6.06 0.67 -4.87 118.95 125.28 1s1h s ARG 172 Ca 0.07 -0.31 -0.01 0.00 -2.50 0.00 0.00 55.73 52.98 1s1h s ARG 172 Cb -0.08 -0.53 0.10 0.00 0.06 0.00 0.00 34.95 34.50 1s1h s ARG 172 CO -0.00 0.14 0.69 -2.39 -2.50 0.00 0.00 175.30 171.24 1s1h n HIS 173 N 2.75 -3.19 -3.15 5.12 1.44 -1.26 0.92 115.22 117.85 1s1h n HIS 173 Ca -0.14 -1.14 0.04 0.00 -2.01 0.00 0.00 57.72 54.48 1s1h n HIS 173 Cb 0.57 -0.51 -0.00 0.00 0.12 0.00 0.00 29.99 30.17 1s1h n HIS 173 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1s1h s VAL 174 N -2.10 -0.95 0.32 0.61 1.01 -1.11 -4.73 120.40 113.45 1s1h s VAL 174 Ca 0.45 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 1s1h s VAL 174 Cb -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1s1h s VAL 174 CO 0.30 0.00 1.13 -0.76 0.00 0.00 0.00 175.10 175.77 1s1h s LEU 175 N 2.84 4.41 0.15 3.92 1.43 -1.26 -2.53 118.68 127.64 1s1h s LEU 175 Ca 0.12 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 1s1h s LEU 175 Cb -0.10 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1s1h s LEU 175 CO -0.25 -0.33 0.31 -0.04 0.23 0.00 0.00 176.35 176.27 1s1h s MET 176 N -1.79 1.12 0.24 1.70 -1.94 -1.02 -4.86 119.30 112.74 1s1h s MET 176 Ca 0.49 -1.05 -0.06 0.00 -1.71 0.00 0.00 55.69 53.36 1s1h s MET 176 Cb -0.31 0.40 0.24 0.00 2.01 0.00 0.00 34.83 37.17 1s1h s MET 176 CO 0.40 -0.41 1.85 0.00 -0.01 0.00 0.00 175.02 176.84 1s1h h ARG 177 N 2.52 1.20 -0.43 2.03 3.08 -1.96 -1.66 114.38 119.15 1s1h h ARG 177 Ca -0.32 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.44 1s1h h ARG 177 Cb 1.23 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1s1h h ARG 177 CO 0.48 0.90 -0.27 1.96 -1.07 0.00 0.00 179.97 181.97 1s1h h GLN 178 N 1.20 0.93 0.00 0.04 7.50 -1.99 -3.49 115.11 119.30 1s1h h GLN 178 Ca 0.30 -0.42 0.00 0.00 0.50 0.00 0.00 58.65 59.03 1s1h h GLN 178 Cb 0.07 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.59 1s1h h GLN 178 CO -0.04 1.08 0.00 0.41 -1.50 0.00 0.00 178.83 178.77 1s1h n GLY 179 N -0.07 -2.06 3.81 3.46 0.00 -0.63 -5.11 105.19 104.59 1s1h n GLY 179 Ca -0.01 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1s1h n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1h s VAL 180 N -1.78 4.45 -0.07 1.61 0.11 -1.26 -2.43 120.40 121.04 1s1h s VAL 180 Ca 0.00 1.44 -0.02 0.00 -2.93 0.00 0.00 61.98 60.46 1s1h s VAL 180 Cb 0.00 -3.86 0.04 0.00 -1.53 0.00 0.00 36.38 31.02 1s1h s VAL 180 CO 0.00 0.11 0.06 -0.76 -3.33 0.00 0.00 175.10 171.18 1s1h s LEU 181 N -2.19 0.22 0.42 2.54 1.02 -1.05 -4.83 118.68 114.81 1s1h s LEU 181 Ca 0.48 -0.07 -0.21 0.00 0.02 0.00 0.00 54.13 54.35 1s1h s LEU 181 Cb -0.16 -0.18 -0.11 0.00 0.02 0.00 0.00 46.19 45.76 1s1h s LEU 181 CO 0.21 -0.26 0.94 -0.83 0.02 0.00 0.00 176.35 176.43 1s1h s GLY 182 N 2.15 2.40 -0.03 -3.19 0.00 -1.26 -2.77 107.32 104.62 1s1h s GLY 182 Ca 0.04 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.20 1s1h s GLY 182 CO -0.04 0.68 -0.16 -1.50 0.00 0.00 0.00 173.10 172.07 1s1h s ILE 183 N -2.15 1.34 -0.08 0.90 1.10 0.26 -0.59 121.20 121.98 1s1h s ILE 183 Ca 0.61 -0.69 0.05 0.00 -0.51 0.00 0.00 60.65 60.11 1s1h s ILE 183 Cb -0.09 -1.14 -0.00 0.00 0.15 0.00 0.00 42.46 41.37 1s1h s ILE 183 CO 0.14 0.39 -0.24 -0.54 -2.11 0.00 0.00 174.94 172.57 1s1h s LYS 184 N -0.10 2.87 -0.09 3.50 -0.14 0.89 -0.24 119.74 126.43 1s1h s LYS 184 Ca -0.00 -0.89 0.03 0.00 -1.36 0.00 0.00 55.97 53.75 1s1h s LYS 184 Cb -0.10 -2.25 0.01 0.00 -1.68 0.00 0.00 37.83 33.81 1s1h s LYS 184 CO 0.01 0.26 -0.18 0.08 -0.76 0.00 0.00 175.35 174.76 1s1h s VAL 185 N 0.15 1.63 -0.10 3.17 1.01 0.12 -0.15 120.40 126.22 1s1h s VAL 185 Ca -0.13 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1s1h s VAL 185 Cb -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1s1h s VAL 185 CO 0.07 0.46 -0.23 -0.54 0.00 0.00 0.00 175.10 174.87 1s1h s LYS 186 N 0.55 2.94 -0.06 2.72 1.02 0.10 -0.99 119.74 126.02 1s1h s LYS 186 Ca -0.16 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.02 1s1h s LYS 186 Cb -0.17 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1s1h s LYS 186 CO 0.06 0.14 -0.14 0.42 -0.92 0.00 0.00 175.35 174.91 1s1h s ILE 187 N 0.44 1.24 -0.17 2.17 1.01 -0.36 -0.91 121.20 124.62 1s1h s ILE 187 Ca -0.17 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 1s1h s ILE 187 Cb -0.17 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1s1h s ILE 187 CO 0.07 0.37 0.11 -0.32 0.00 0.00 0.00 174.94 175.17 1s1h s MET 188 N 0.51 3.87 0.33 2.79 -2.45 0.26 -0.42 119.30 124.19 1s1h s MET 188 Ca -0.13 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.10 1s1h s MET 188 Cb -0.15 -3.27 -0.05 0.00 1.25 0.00 0.00 34.83 32.61 1s1h s MET 188 CO 0.04 0.44 0.09 1.03 1.05 0.00 0.00 175.02 177.67 1s1h s ARG 189 N -0.06 1.66 0.16 4.11 0.52 -1.16 -1.94 118.95 122.24 1s1h s ARG 189 Ca 0.09 -1.94 -0.34 0.00 -0.52 0.00 0.00 55.73 53.02 1s1h s ARG 189 Cb -0.12 -0.61 -0.16 0.00 0.52 0.00 0.00 34.95 34.58 1s1h s ARG 189 CO 0.00 -0.30 1.21 -3.47 0.02 0.00 0.00 175.30 172.76 1s1h n ASP 190 N -0.80 1.48 -4.51 0.23 -0.08 -1.26 -4.73 116.55 106.88 1s1h n ASP 190 Ca -0.02 1.14 -0.29 0.00 -1.51 0.00 0.00 54.79 54.10 1s1h n ASP 190 Cb 0.66 -1.22 0.14 0.00 2.34 0.00 0.00 41.12 43.04 1s1h n ASP 190 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1s1h s PRO 191 N -0.19 1.30 0.00 -0.67 0.04 -1.25 -4.73 135.00 129.50 1s1h s PRO 191 Ca 0.75 -0.21 0.30 0.00 0.04 0.00 0.00 61.00 61.88 1s1h s PRO 191 Cb -0.86 -1.92 1.48 0.00 0.04 0.00 0.00 34.50 33.24 1s1h s PRO 191 CO 0.51 -1.98 1.99 0.00 0.04 0.00 0.00 177.00 177.55