#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1h n VAL 6 N 0.00 0.00 -0.40 1.69 0.24 -1.26 -4.75 118.33 113.85 1m1h n VAL 6 Ca 0.00 0.04 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 1m1h n VAL 6 Cb 0.00 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 31.53 1m1h n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1m1h n GLN 7 N -1.75 1.04 0.28 7.34 1.13 -1.26 -4.21 117.38 119.96 1m1h n GLN 7 Ca 0.00 -0.80 0.17 0.00 -1.94 0.00 0.00 57.00 54.43 1m1h n GLN 7 Cb 0.00 -2.05 0.78 0.00 0.11 0.00 0.00 30.24 29.08 1m1h n GLN 7 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1m1h h GLU 8 N 6.25 0.00 -6.02 -1.09 4.11 -2.09 -3.44 114.58 112.31 1m1h h GLU 8 Ca 0.21 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.94 1m1h h GLU 8 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1m1h h GLU 8 CO 0.95 0.04 1.31 1.28 0.07 0.00 0.00 179.01 182.66 1m1h n LEU 9 N -3.19 1.85 -4.77 3.06 4.77 -1.26 -4.82 117.00 112.64 1m1h n LEU 9 Ca -0.01 0.58 -0.38 0.00 -0.03 0.00 0.00 56.01 56.18 1m1h n LEU 9 Cb 0.26 -1.16 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 1m1h n LEU 9 CO 0.27 -0.69 0.61 -1.83 -1.33 0.00 0.00 177.39 174.42 1m1h s GLU 10 N 5.73 4.66 0.20 3.23 -1.05 -1.26 -5.04 118.70 125.16 1m1h s GLU 10 Ca 1.10 1.33 -0.03 0.00 -0.15 0.00 0.00 54.97 57.22 1m1h s GLU 10 Cb -1.04 -3.04 -0.05 0.00 -0.44 0.00 0.00 34.13 29.56 1m1h s GLU 10 CO 0.56 0.41 0.42 0.15 0.95 0.00 0.00 175.26 177.75 1m1h s LYS 11 N -1.62 3.57 0.37 -4.83 1.02 -1.26 -4.75 119.74 112.24 1m1h s LYS 11 Ca 0.44 -0.20 0.08 0.00 0.02 0.00 0.00 55.97 56.32 1m1h s LYS 11 Cb -0.22 -2.80 -0.07 0.00 -0.52 0.00 0.00 37.83 34.22 1m1h s LYS 11 CO 0.27 0.38 -0.04 0.15 -0.92 0.00 0.00 175.35 175.20 1m1h s LYS 12 N -3.18 1.91 0.10 1.68 1.02 0.07 -4.72 119.74 116.62 1m1h s LYS 12 Ca 0.40 -1.99 -0.15 0.00 0.02 0.00 0.00 55.97 54.25 1m1h s LYS 12 Cb -0.11 -1.70 -0.06 0.00 -0.52 0.00 0.00 37.83 35.43 1m1h s LYS 12 CO 0.28 0.06 0.51 -1.58 -0.92 0.00 0.00 175.35 173.69 1m1h s TRP 13 N -2.64 3.67 0.03 3.18 0.52 -1.25 0.45 118.94 122.89 1m1h s TRP 13 Ca 0.34 1.05 0.02 0.00 0.02 0.00 0.00 56.10 57.53 1m1h s TRP 13 Cb 0.05 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 30.00 1m1h s TRP 13 CO 0.18 0.51 -0.06 0.71 0.02 0.00 0.00 176.95 178.30 1m1h s TYR 14 N -1.32 0.55 -0.18 -1.98 1.51 0.54 -0.72 117.35 115.74 1m1h s TYR 14 Ca 0.33 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.85 1m1h s TYR 14 Cb -0.16 -0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1m1h s TYR 14 CO 0.18 -0.10 0.07 0.00 -1.11 0.00 0.00 175.55 174.59 1m1h s ALA 15 N -1.27 3.45 -0.19 3.71 0.00 -1.26 -1.32 121.76 124.87 1m1h s ALA 15 Ca -0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1m1h s ALA 15 Cb -0.09 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1m1h s ALA 15 CO 0.00 0.18 -0.03 -0.51 0.00 0.00 0.00 175.76 175.40 1m1h s LEU 16 N 0.36 3.12 0.01 0.00 1.43 -0.24 -1.18 118.68 122.18 1m1h s LEU 16 Ca 0.04 -0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 1m1h s LEU 16 Cb -0.12 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1m1h s LEU 16 CO -0.00 0.07 0.87 -1.10 0.23 0.00 0.00 176.35 176.42 1m1h s GLN 17 N 0.93 4.54 0.15 1.70 -0.21 0.75 -2.03 119.66 125.50 1m1h s GLN 17 Ca 0.00 1.23 -0.02 0.00 0.02 0.00 0.00 55.36 56.59 1m1h s GLN 17 Cb -0.14 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 1m1h s GLN 17 CO 0.01 0.08 0.10 0.14 -2.12 0.00 0.00 175.29 173.50 1m1h s VAL 18 N 0.62 0.08 0.03 1.09 -7.23 -0.13 0.08 120.40 114.94 1m1h s VAL 18 Ca 0.45 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.46 1m1h s VAL 18 Cb -0.20 -2.11 -0.10 0.00 0.56 0.00 0.00 36.38 34.53 1m1h s VAL 18 CO 0.25 -0.35 1.95 1.21 -0.31 0.00 0.00 175.10 177.85 1m1h n GLU 19 N -0.15 2.77 -1.82 4.82 4.07 -0.08 -4.40 120.64 125.85 1m1h n GLU 19 Ca -0.04 1.01 -0.42 0.00 -0.06 0.00 0.00 57.16 57.66 1m1h n GLU 19 Cb 0.64 -2.95 -0.02 0.00 -0.06 0.00 0.00 31.44 29.05 1m1h n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1m1h s PRO 20 N 4.27 4.16 0.00 5.31 0.04 -1.26 -1.59 135.00 145.93 1m1h s PRO 20 Ca 0.89 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.45 1m1h s PRO 20 Cb -0.48 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1m1h s PRO 20 CO 0.43 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1m1h n GLY 21 N 2.59 1.55 0.62 0.56 0.00 -1.26 -4.85 105.19 104.40 1m1h n GLY 21 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1m1h n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m1h n LYS 22 N -2.00 1.38 -0.26 1.61 4.76 -0.62 -4.83 118.16 118.20 1m1h n LYS 22 Ca 0.00 -3.06 -0.07 0.00 -2.87 0.00 0.00 58.31 52.31 1m1h n LYS 22 Cb 0.00 -1.43 0.05 0.00 -1.84 0.00 0.00 35.03 31.80 1m1h n LYS 22 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1m1h h GLU 23 N 0.87 1.14 -0.34 1.97 5.08 -1.89 0.93 114.58 122.34 1m1h h GLU 23 Ca -0.02 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1m1h h GLU 23 Cb 1.09 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1m1h h GLU 23 CO 0.01 1.00 -0.03 -0.97 -1.00 0.00 0.00 179.01 178.02 1m1h h ASN 24 N 1.07 0.61 -1.01 1.42 -1.24 -1.94 -0.56 115.58 113.94 1m1h h ASN 24 Ca 0.22 -0.33 0.07 0.00 0.71 0.00 0.00 56.30 56.97 1m1h h ASN 24 Cb 0.37 -0.17 -0.07 0.00 0.73 0.00 0.00 38.32 39.18 1m1h h ASN 24 CO 0.00 0.80 0.65 -0.08 -1.29 0.00 0.00 177.43 177.51 1m1h h GLU 25 N 0.42 1.14 -0.45 6.67 4.81 -1.87 -0.24 114.58 125.06 1m1h h GLU 25 Ca 0.09 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1m1h h GLU 25 Cb 0.50 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1m1h h GLU 25 CO 0.02 0.75 0.09 0.00 -0.73 0.00 0.00 179.01 179.15 1m1h h ALA 26 N 1.46 0.60 0.15 2.92 0.00 -0.19 0.11 119.26 124.30 1m1h h ALA 26 Ca 0.44 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1m1h h ALA 26 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1m1h h ALA 26 CO -0.18 0.30 -0.09 -0.22 0.00 0.00 0.00 179.25 179.06 1m1h h LYS 27 N 0.60 -0.22 -0.59 0.00 3.64 -0.44 -0.78 116.57 118.78 1m1h h LYS 27 Ca 0.14 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1m1h h LYS 27 Cb 0.35 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1m1h h LYS 27 CO 0.00 -0.15 0.28 0.93 -2.27 0.00 0.00 179.45 178.24 1m1h h GLU 28 N -0.23 0.83 -0.61 1.90 4.39 -0.84 0.09 114.58 120.11 1m1h h GLU 28 Ca -0.01 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1m1h h GLU 28 Cb 0.19 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1m1h h GLU 28 CO 0.01 0.65 0.17 -0.91 -1.16 0.00 0.00 179.01 177.77 1m1h h ASN 29 N 0.83 0.90 -0.66 1.42 2.35 -0.79 -2.30 115.58 117.34 1m1h h ASN 29 Ca 0.20 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1m1h h ASN 29 Cb 0.10 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1m1h h ASN 29 CO -0.03 0.89 0.13 0.25 -1.65 0.00 0.00 177.43 177.02 1m1h h LEU 30 N 0.88 1.03 -0.57 1.61 5.85 -0.27 -0.30 115.31 123.53 1m1h h LEU 30 Ca 0.19 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1m1h h LEU 30 Cb 0.32 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1m1h h LEU 30 CO -0.00 1.02 0.38 -0.07 -0.34 0.00 0.00 178.44 179.42 1m1h h LEU 31 N 1.00 0.65 -0.70 2.25 3.38 -0.78 0.42 115.31 121.53 1m1h h LEU 31 Ca 0.20 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 1m1h h LEU 31 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1m1h h LEU 31 CO 0.01 0.47 -0.12 0.11 0.09 0.00 0.00 178.44 179.00 1m1h h LYS 32 N 0.77 0.88 -0.45 1.13 1.57 -0.82 -2.35 116.57 117.29 1m1h h LYS 32 Ca 0.21 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1m1h h LYS 32 Cb -0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1m1h h LYS 32 CO -0.05 0.95 0.25 0.28 -0.57 0.00 0.00 179.45 180.30 1m1h h VAL 33 N 0.78 1.16 -0.74 0.50 2.07 -0.71 -1.45 116.25 117.87 1m1h h VAL 33 Ca 0.13 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1m1h h VAL 33 Cb 0.64 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1m1h h VAL 33 CO 0.04 0.17 0.47 -0.07 0.02 0.00 0.00 177.57 178.20 1m1h h LEU 34 N 0.59 0.76 -0.04 2.57 3.38 -0.71 -0.21 115.31 121.66 1m1h h LEU 34 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1m1h h LEU 34 Cb 0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1m1h h LEU 34 CO -0.03 0.52 0.01 -0.08 0.09 0.00 0.00 178.44 178.96 1m1h h GLU 35 N 0.90 0.03 -0.28 1.13 4.57 -1.21 0.90 114.58 120.62 1m1h h GLU 35 Ca 0.30 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1m1h h GLU 35 Cb 0.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1m1h h GLU 35 CO -0.12 0.02 0.03 1.25 -1.18 0.00 0.00 179.01 179.01 1m1h h LEU 36 N 0.03 0.46 -0.02 1.64 6.46 -0.92 -3.00 115.31 119.96 1m1h h LEU 36 Ca 0.02 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1m1h h LEU 36 Cb 0.01 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1m1h h LEU 36 CO -0.02 0.63 -0.00 1.21 -0.62 0.00 0.00 178.44 179.63 1m1h n GLU 37 N -4.63 0.88 -2.96 1.25 4.07 -0.12 -4.91 120.64 114.21 1m1h n GLU 37 Ca -0.03 -0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 56.93 1m1h n GLU 37 Cb 0.22 -1.50 0.04 0.00 -0.06 0.00 0.00 31.44 30.14 1m1h n GLU 37 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1m1h n GLY 38 N 1.07 0.13 0.35 8.31 0.00 -0.77 -4.93 105.19 109.35 1m1h n GLY 38 Ca 0.22 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1m1h n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m1h n LEU 39 N -2.71 1.98 -0.29 0.99 4.77 0.24 -4.68 117.00 117.30 1m1h n LEU 39 Ca -0.01 -1.35 0.03 0.00 -0.03 0.00 0.00 56.01 54.65 1m1h n LEU 39 Cb 0.54 -0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.81 1m1h n LEU 39 CO 0.32 0.44 1.25 0.11 -1.33 0.00 0.00 177.39 178.18 1m1h h LYS 40 N 1.45 1.01 -0.11 3.23 1.57 -1.91 -0.55 116.57 121.26 1m1h h LYS 40 Ca 0.00 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1m1h h LYS 40 Cb 0.43 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1m1h h LYS 40 CO 0.00 0.67 0.15 0.22 -0.57 0.00 0.00 179.45 179.92 1m1h h ASP 41 N 1.04 0.00 1.57 0.86 -0.00 -1.93 -1.75 116.42 116.21 1m1h h ASP 41 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.40 1m1h h ASP 41 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.48 1m1h h ASP 41 CO -0.13 0.00 0.00 -0.07 -0.00 0.00 0.00 179.24 179.04 1m1h h LEU 42 N 0.00 0.00 -8.12 2.28 3.38 -1.44 -3.45 115.31 107.96 1m1h h LEU 42 Ca 0.05 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.35 1m1h h LEU 42 Cb 0.35 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.76 1m1h h LEU 42 CO -0.00 0.00 -0.85 -0.69 0.09 0.00 0.00 178.44 176.99 1m1h s VAL 43 N -3.13 2.21 -0.14 1.22 1.01 -0.66 -0.25 120.40 120.66 1m1h s VAL 43 Ca 0.10 -0.89 0.19 0.00 0.00 0.00 0.00 61.98 61.38 1m1h s VAL 43 Cb 0.11 -1.93 -0.17 0.00 0.00 0.00 0.00 36.38 34.39 1m1h s VAL 43 CO 0.61 0.53 0.69 0.47 0.00 0.00 0.00 175.10 177.40 1m1h n ASP 44 N 4.56 0.55 -3.69 3.32 10.43 0.17 -4.95 116.55 126.93 1m1h n ASP 44 Ca -0.21 0.23 -0.14 0.00 2.57 0.00 0.00 54.79 57.25 1m1h n ASP 44 Cb 0.50 0.76 -0.09 0.00 1.84 0.00 0.00 41.12 44.14 1m1h n ASP 44 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1m1h s GLU 45 N -3.10 0.65 -0.09 -1.24 2.12 -1.18 -4.96 118.70 110.90 1m1h s GLU 45 Ca -0.04 0.66 -0.01 0.00 0.36 0.00 0.00 54.97 55.94 1m1h s GLU 45 Cb 0.10 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.83 1m1h s GLU 45 CO 0.83 -0.09 -0.02 0.08 -0.54 0.00 0.00 175.26 175.52 1m1h s VAL 46 N 0.12 0.56 -0.01 3.70 1.01 -1.26 -0.86 120.40 123.66 1m1h s VAL 46 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1m1h s VAL 46 Cb -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1m1h s VAL 46 CO 0.01 0.28 -0.09 -0.63 0.00 0.00 0.00 175.10 174.67 1m1h s ILE 47 N 1.90 0.71 -0.30 2.22 1.01 0.55 -4.97 121.20 122.31 1m1h s ILE 47 Ca 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 1m1h s ILE 47 Cb -0.12 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 1m1h s ILE 47 CO -0.06 0.19 0.39 -0.69 0.00 0.00 0.00 174.94 174.77 1m1h s VAL 48 N -0.23 5.15 -0.86 2.92 1.01 -1.26 0.13 120.40 127.26 1m1h s VAL 48 Ca 0.03 0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 1m1h s VAL 48 Cb -0.04 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 1m1h s VAL 48 CO -0.00 0.04 2.01 -0.81 0.00 0.00 0.00 175.10 176.34 1m1h n PRO 49 N 5.41 1.80 -3.82 2.72 -0.04 -1.26 -4.80 135.00 135.01 1m1h n PRO 49 Ca -0.08 -1.71 -0.12 0.00 -0.04 0.00 0.00 63.50 61.55 1m1h n PRO 49 Cb 0.50 -2.74 -0.09 0.00 -0.04 0.00 0.00 33.50 31.13 1m1h n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m1h s ALA 50 N 4.26 -0.52 0.21 0.55 0.00 -1.26 -4.42 121.76 120.58 1m1h s ALA 50 Ca 0.49 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1m1h s ALA 50 Cb 0.13 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 1m1h s ALA 50 CO 0.05 -0.24 0.98 -2.00 0.00 0.00 0.00 175.76 174.55 1m1h s GLU 51 N -1.41 4.77 0.07 0.00 2.12 -1.21 -4.79 118.70 118.25 1m1h s GLU 51 Ca -0.14 1.54 -0.27 0.00 0.36 0.00 0.00 54.97 56.47 1m1h s GLU 51 Cb -0.06 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1m1h s GLU 51 CO 0.03 0.38 0.83 -1.21 -0.54 0.00 0.00 175.26 174.74 1m1h s GLU 52 N -0.89 4.57 0.08 4.30 2.02 -1.26 -0.79 118.70 126.72 1m1h s GLU 52 Ca 0.43 1.20 0.01 0.00 0.02 0.00 0.00 54.97 56.63 1m1h s GLU 52 Cb -0.26 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1m1h s GLU 52 CO 0.33 0.27 -0.06 0.15 0.02 0.00 0.00 175.26 175.97 1m1h s LYS 53 N -0.06 0.72 -0.21 1.61 1.02 0.30 -1.20 119.74 121.92 1m1h s LYS 53 Ca 0.41 -1.21 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 1m1h s LYS 53 Cb -0.21 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.99 1m1h s LYS 53 CO 0.25 -0.04 -0.06 0.08 -0.92 0.00 0.00 175.35 174.67 1m1h s VAL 54 N -3.37 3.31 -0.23 3.17 1.01 0.24 -0.81 120.40 123.72 1m1h s VAL 54 Ca 0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1m1h s VAL 54 Cb 0.04 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1m1h s VAL 54 CO -0.05 0.44 0.13 -0.69 0.00 0.00 0.00 175.10 174.93 1m1h s VAL 55 N 1.35 5.11 -0.15 2.92 1.01 0.69 -0.97 120.40 130.36 1m1h s VAL 55 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1m1h s VAL 55 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1m1h s VAL 55 CO -0.03 0.36 -0.10 -0.63 0.00 0.00 0.00 175.10 174.70 1m1h s ILE 56 N 1.04 3.24 0.15 2.22 1.01 0.88 -1.15 121.20 128.60 1m1h s ILE 56 Ca 0.06 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1m1h s ILE 56 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1m1h s ILE 56 CO 0.04 0.50 -0.17 -0.13 0.00 0.00 0.00 174.94 175.18 1m1h s ARG 57 N 0.57 1.20 -0.08 2.79 0.52 -0.12 0.53 118.95 124.36 1m1h s ARG 57 Ca -0.06 -1.37 -0.03 0.00 -0.52 0.00 0.00 55.73 53.75 1m1h s ARG 57 Cb -0.15 -1.18 0.04 0.00 0.52 0.00 0.00 34.95 34.18 1m1h s ARG 57 CO 0.03 0.23 0.15 0.00 0.02 0.00 0.00 175.30 175.74 1m1h s ALA 58 N -2.15 -0.18 -1.39 2.13 0.00 -0.41 -1.06 121.76 118.70 1m1h s ALA 58 Ca 0.14 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1m1h s ALA 58 Cb -0.05 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1m1h s ALA 58 CO 0.05 -0.43 0.53 1.04 0.00 0.00 0.00 175.76 176.95 1m1h n GLN 59 N 4.96 -3.82 -1.18 0.00 6.02 0.16 -2.14 117.38 121.38 1m1h n GLN 59 Ca -0.12 0.47 -0.06 0.00 -0.01 0.00 0.00 57.00 57.28 1m1h n GLN 59 Cb 0.50 -4.76 -0.03 0.00 1.02 0.00 0.00 30.24 26.97 1m1h n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1m1h n GLY 60 N -1.84 0.85 3.06 1.08 0.00 -1.26 -5.00 105.19 102.08 1m1h n GLY 60 Ca -0.28 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 1m1h n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m1h s LYS 61 N -2.27 1.60 0.02 1.61 2.20 -0.91 -5.11 119.74 116.89 1m1h s LYS 61 Ca 0.00 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 1m1h s LYS 61 Cb 0.00 -1.37 -0.05 0.00 -1.51 0.00 0.00 37.83 34.90 1m1h s LYS 61 CO 0.00 0.12 1.32 -2.00 -0.36 0.00 0.00 175.35 174.43 1m1h s GLU 62 N 0.34 4.33 -0.16 4.03 2.12 -1.26 -1.28 118.70 126.82 1m1h s GLU 62 Ca -0.09 1.89 0.01 0.00 0.36 0.00 0.00 54.97 57.14 1m1h s GLU 62 Cb -0.13 -3.47 -0.10 0.00 0.26 0.00 0.00 34.13 30.69 1m1h s GLU 62 CO 0.03 -0.46 -0.14 1.63 -0.54 0.00 0.00 175.26 175.77 1m1h n LYS 63 N 4.80 0.40 -3.93 4.30 4.76 0.19 -4.94 118.16 123.73 1m1h n LYS 63 Ca 0.12 0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.55 1m1h n LYS 63 Cb 0.44 -1.31 -0.12 0.00 -1.84 0.00 0.00 35.03 32.20 1m1h n LYS 63 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1m1h s TYR 64 N -2.32 0.15 -0.33 2.13 1.51 -0.98 -4.99 117.35 112.52 1m1h s TYR 64 Ca -0.21 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1m1h s TYR 64 Cb 0.06 -0.11 0.11 0.00 -0.11 0.00 0.00 41.96 41.91 1m1h s TYR 64 CO 0.37 -0.12 0.15 0.50 -1.11 0.00 0.00 175.55 175.33 1m1h s ARG 65 N -0.89 0.59 0.18 -0.62 3.52 -1.26 -0.08 118.95 120.40 1m1h s ARG 65 Ca -0.10 -1.08 0.11 0.00 -0.13 0.00 0.00 55.73 54.53 1m1h s ARG 65 Cb -0.06 -1.62 -0.04 0.00 -1.56 0.00 0.00 34.95 31.66 1m1h s ARG 65 CO -0.01 -1.07 -0.23 -0.51 -0.81 0.00 0.00 175.30 172.68 1m1h s LEU 66 N 1.49 2.43 0.21 -0.88 1.43 -0.15 -4.93 118.68 118.28 1m1h s LEU 66 Ca 0.12 -0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 52.05 1m1h s LEU 66 Cb -0.19 -1.08 -0.11 0.00 0.03 0.00 0.00 46.19 44.84 1m1h s LEU 66 CO -0.20 0.08 1.60 -0.55 0.23 0.00 0.00 176.35 177.51 1m1h s SER 67 N -2.65 6.50 0.26 2.29 0.15 -1.26 0.81 113.70 119.81 1m1h s SER 67 Ca 0.19 2.75 0.03 0.00 0.70 0.00 0.00 55.95 59.62 1m1h s SER 67 Cb -0.07 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 61.97 1m1h s SER 67 CO 0.09 -0.86 1.64 0.25 1.20 0.00 0.00 173.24 175.56 1m1h h LEU 68 N 6.22 0.38 -9.47 3.45 5.85 -1.46 -3.43 115.31 116.85 1m1h h LEU 68 Ca -0.44 -0.17 -0.55 0.00 0.84 0.00 0.00 57.88 57.56 1m1h h LEU 68 Cb 1.21 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1m1h h LEU 68 CO 0.89 0.77 0.14 -0.75 -0.34 0.00 0.00 178.44 179.14 1m1h s LYS 69 N -4.13 4.47 0.00 1.25 2.36 -1.26 -4.22 119.74 118.20 1m1h s LYS 69 Ca -0.06 1.00 0.00 0.00 -2.55 0.00 0.00 55.97 54.37 1m1h s LYS 69 Cb 0.13 -3.40 0.00 0.00 -1.05 0.00 0.00 37.83 33.51 1m1h s LYS 69 CO 0.79 0.20 0.00 0.41 1.55 0.00 0.00 175.35 178.30 1m1h n GLY 70 N 2.66 -0.11 0.35 5.54 0.00 -1.26 -5.04 105.19 107.33 1m1h n GLY 70 Ca -0.02 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.92 1m1h n GLY 70 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1m1h h ASN 71 N 0.00 0.82 0.00 1.61 -0.26 -1.91 -3.43 115.58 112.42 1m1h h ASN 71 Ca 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1m1h h ASN 71 Cb 0.00 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.06 1m1h h ASN 71 CO 0.00 0.59 0.00 0.00 -1.06 0.00 0.00 177.43 176.96 1m1h n ALA 72 N -2.43 0.00 -2.42 -0.83 0.00 -1.25 -4.88 120.51 108.70 1m1h n ALA 72 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 1m1h n ALA 72 Cb 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.35 1m1h n ALA 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1m1h s ARG 73 N -0.44 1.64 -0.05 0.00 0.52 0.42 -4.99 118.95 116.05 1m1h s ARG 73 Ca 0.00 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1m1h s ARG 73 Cb 0.00 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 1m1h s ARG 73 CO 0.00 0.44 -0.04 -0.51 0.02 0.00 0.00 175.30 175.21 1m1h s ASP 74 N -0.81 4.85 -0.06 0.23 1.11 -1.26 -0.16 116.67 120.56 1m1h s ASP 74 Ca 0.08 -0.00 0.01 0.00 0.18 0.00 0.00 52.55 52.82 1m1h s ASP 74 Cb -0.09 -1.25 0.02 0.00 1.07 0.00 0.00 42.92 42.68 1m1h s ASP 74 CO 0.00 0.34 -0.06 -0.51 1.18 0.00 0.00 175.17 176.12 1m1h s ILE 75 N -0.90 0.74 -0.13 0.77 1.10 0.43 -4.97 121.20 118.25 1m1h s ILE 75 Ca 0.14 -0.21 -0.03 0.00 -0.51 0.00 0.00 60.65 60.05 1m1h s ILE 75 Cb -0.11 -0.75 -0.03 0.00 0.15 0.00 0.00 42.46 41.72 1m1h s ILE 75 CO 0.04 0.28 -0.03 -0.44 -2.11 0.00 0.00 174.94 172.68 1m1h s SER 76 N 1.11 4.87 0.05 4.50 0.01 -1.26 0.58 113.70 123.56 1m1h s SER 76 Ca -0.07 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.19 1m1h s SER 76 Cb -0.14 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 1m1h s SER 76 CO -0.01 0.24 -0.16 0.68 0.41 0.00 0.00 173.24 174.40 1m1h s VAL 77 N -0.07 1.31 -0.14 3.43 -7.23 -0.10 -4.98 120.40 112.62 1m1h s VAL 77 Ca 0.02 -1.14 -0.28 0.00 -1.81 0.00 0.00 61.98 58.77 1m1h s VAL 77 Cb -0.13 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1m1h s VAL 77 CO 0.02 0.02 0.93 -0.76 -0.31 0.00 0.00 175.10 175.00 1m1h s LEU 78 N -1.30 4.21 0.00 1.32 1.43 -1.26 -1.53 118.68 121.55 1m1h s LEU 78 Ca 0.03 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 1m1h s LEU 78 Cb -0.09 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1m1h s LEU 78 CO 0.02 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1m1h n GLY 79 N 3.25 2.41 0.19 -3.19 0.00 0.21 -4.84 105.19 103.22 1m1h n GLY 79 Ca 0.07 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 1m1h n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1m1h h LYS 80 N 0.00 0.61 0.00 1.61 3.64 -1.61 -3.39 116.57 117.43 1m1h h LYS 80 Ca 0.00 -0.56 -0.07 0.00 -1.27 0.00 0.00 60.65 58.75 1m1h h LYS 80 Cb 0.00 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1m1h h LYS 80 CO 0.00 1.18 -1.36 1.63 -2.27 0.00 0.00 179.45 178.62 1m1h n LYS 81 N -3.86 2.09 0.00 1.90 5.02 -1.26 -5.10 118.16 116.96 1m1h n LYS 81 Ca -0.07 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1m1h n LYS 81 Cb 0.79 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 1m1h n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m1h n GLY 82 N 2.47 1.01 3.72 0.72 0.00 -1.26 -5.06 105.19 106.79 1m1h n GLY 82 Ca -0.07 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1m1h n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m1h s VAL 83 N -0.35 5.31 -0.20 1.61 1.01 -1.26 0.64 120.40 127.15 1m1h s VAL 83 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1m1h s VAL 83 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1m1h s VAL 83 CO 0.00 0.39 -0.01 -0.89 0.00 0.00 0.00 175.10 174.59 1m1h s THR 84 N 0.50 3.86 -0.20 3.92 2.01 -0.58 -3.77 115.64 121.38 1m1h s THR 84 Ca 0.16 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 1m1h s THR 84 Cb -0.13 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1m1h s THR 84 CO 0.04 0.43 0.04 -0.89 -0.69 0.00 0.00 174.62 173.55 1m1h s THR 85 N 1.07 4.45 0.02 -0.82 2.01 -0.51 -0.92 115.64 120.94 1m1h s THR 85 Ca 0.02 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.89 1m1h s THR 85 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1m1h s THR 85 CO 0.01 0.43 0.01 -0.36 -0.69 0.00 0.00 174.62 174.02 1m1h s PHE 86 N 0.73 3.07 -0.12 4.92 0.40 0.20 -1.14 117.98 126.04 1m1h s PHE 86 Ca 0.02 0.07 -0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1m1h s PHE 86 Cb -0.14 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 1m1h s PHE 86 CO 0.02 0.47 -0.10 0.50 0.70 0.00 0.00 175.22 176.80 1m1h s ARG 87 N -1.71 3.27 -0.17 0.44 3.52 0.24 -0.43 118.95 124.12 1m1h s ARG 87 Ca 0.21 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1m1h s ARG 87 Cb -0.12 -2.66 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1m1h s ARG 87 CO 0.12 0.32 -0.18 0.42 -0.81 0.00 0.00 175.30 175.17 1m1h s ILE 88 N 0.09 1.86 0.00 4.11 1.01 0.77 -1.93 121.20 127.11 1m1h s ILE 88 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1m1h s ILE 88 Cb -0.14 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1m1h s ILE 88 CO 0.04 0.51 0.00 -1.84 0.00 0.00 0.00 174.94 173.65 1m1h n GLU 89 N 4.67 0.00 -0.19 2.79 0.28 -0.88 -0.44 120.64 126.88 1m1h n GLU 89 Ca -0.19 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.77 1m1h n GLU 89 Cb 0.50 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.35 1m1h n GLU 89 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1m1h n ASN 90 N 0.00 1.12 -0.98 -1.84 5.03 -1.26 -4.22 115.26 113.11 1m1h n ASN 90 Ca 0.00 -1.86 -0.13 0.00 0.87 0.00 0.00 54.58 53.46 1m1h n ASN 90 Cb 0.00 -0.44 -0.05 0.00 -1.02 0.00 0.00 39.78 38.27 1m1h n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1m1h n GLY 91 N 3.40 1.29 3.37 7.41 0.00 -1.26 -4.99 105.19 114.41 1m1h n GLY 91 Ca 0.10 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1m1h n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m1h s GLU 92 N -2.98 1.39 -0.04 1.61 2.02 -1.26 -4.58 118.70 114.86 1m1h s GLU 92 Ca 0.00 -1.57 0.03 0.00 0.02 0.00 0.00 54.97 53.45 1m1h s GLU 92 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1m1h s GLU 92 CO 0.00 0.24 -0.13 0.08 0.02 0.00 0.00 175.26 175.47 1m1h s VAL 93 N -2.60 1.09 0.27 2.63 1.01 0.39 -2.07 120.40 121.13 1m1h s VAL 93 Ca 0.22 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1m1h s VAL 93 Cb -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1m1h s VAL 93 CO 0.08 0.33 0.42 -1.59 0.00 0.00 0.00 175.10 174.34 1m1h s LYS 94 N 0.20 1.62 -0.18 2.72 -2.85 -0.81 -0.98 119.74 119.45 1m1h s LYS 94 Ca -0.05 -1.50 -0.10 0.00 -1.00 0.00 0.00 55.97 53.32 1m1h s LYS 94 Cb -0.11 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 1m1h s LYS 94 CO 0.02 -0.65 0.17 0.08 0.10 0.00 0.00 175.35 175.06 1m1h s VAL 95 N -3.69 5.39 -0.13 1.79 1.01 -1.26 -0.59 120.40 122.92 1m1h s VAL 95 Ca 0.28 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 1m1h s VAL 95 Cb 0.01 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.76 1m1h s VAL 95 CO 0.14 0.45 0.32 0.58 0.00 0.00 0.00 175.10 176.59 1m1h h VAL 96 N 4.57 0.83 -3.41 2.92 2.07 -1.46 -3.45 116.25 118.31 1m1h h VAL 96 Ca -0.43 -1.67 -0.08 0.00 0.82 0.00 0.00 66.70 65.35 1m1h h VAL 96 Cb 1.16 1.62 -0.15 0.00 -1.52 0.00 0.00 31.29 32.40 1m1h h VAL 96 CO 0.73 0.28 -0.20 -1.83 0.02 0.00 0.00 177.57 176.58 1m1h s GLU 97 N -1.96 0.92 0.06 1.57 1.03 -1.24 -5.00 118.70 114.08 1m1h s GLU 97 Ca -0.12 -0.66 -0.01 0.00 0.03 0.00 0.00 54.97 54.22 1m1h s GLU 97 Cb -0.01 0.40 0.00 0.00 -0.80 0.00 0.00 34.13 33.72 1m1h s GLU 97 CO 0.36 -0.32 0.09 0.45 -1.33 0.00 0.00 175.26 174.51 1m1h n SER 98 N 0.15 -0.26 -4.79 0.83 2.88 -1.26 -1.42 113.62 109.75 1m1h n SER 98 Ca -0.17 -1.32 -0.30 0.00 -1.33 0.00 0.00 58.87 55.75 1m1h n SER 98 Cb 0.62 0.47 0.09 0.00 -0.75 0.00 0.00 64.21 64.64 1m1h n SER 98 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1m1h s VAL 99 N -2.56 3.21 0.31 2.46 -7.23 -1.25 -4.92 120.40 110.43 1m1h s VAL 99 Ca 0.05 0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 60.32 1m1h s VAL 99 Cb -0.00 -3.09 -0.13 0.00 0.56 0.00 0.00 36.38 33.72 1m1h s VAL 99 CO 0.03 -0.51 1.30 1.21 -0.31 0.00 0.00 175.10 176.82 1m1h n GLU 100 N -3.44 2.06 -0.66 4.82 2.13 -1.26 -2.10 120.64 122.19 1m1h n GLU 100 Ca 0.07 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1m1h n GLU 100 Cb 0.55 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1m1h n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1m1h n GLY 101 N 1.15 1.02 3.52 8.31 0.00 -1.26 -4.98 105.19 112.95 1m1h n GLY 101 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1m1h n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m1h s ASP 102 N -3.05 6.35 0.05 1.61 -0.00 -0.89 -4.77 116.67 115.97 1m1h s ASP 102 Ca 0.00 -0.33 0.16 0.00 -0.00 0.00 0.00 52.55 52.38 1m1h s ASP 102 Cb 0.00 -2.38 0.68 0.00 -0.00 0.00 0.00 42.92 41.23 1m1h s ASP 102 CO 0.00 -0.99 1.51 0.35 -0.00 0.00 0.00 175.17 176.04 1m1h n THR 103 N 6.05 0.97 0.27 -1.27 -2.24 -1.26 -3.22 114.28 113.58 1m1h n THR 103 Ca 0.00 0.25 0.15 0.00 -2.27 0.00 0.00 64.05 62.18 1m1h n THR 103 Cb 0.47 -1.03 0.74 0.00 -2.10 0.00 0.00 70.33 68.42 1m1h n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m1h h VAL 105 N 0.00 0.34 -0.30 0.00 -1.51 -1.86 -0.17 116.25 112.76 1m1h h VAL 105 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1m1h h VAL 105 Cb 0.42 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1m1h h VAL 105 CO 0.01 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.94 1m1h n ASN 106 N -3.58 2.81 -4.76 4.19 5.03 -0.69 -4.73 115.26 113.53 1m1h n ASN 106 Ca -0.01 -1.89 -0.41 0.00 0.87 0.00 0.00 54.58 53.15 1m1h n ASN 106 Cb 0.23 -0.20 -0.02 0.00 -1.02 0.00 0.00 39.78 38.77 1m1h n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1m1h s ALA 107 N -1.01 3.55 0.71 5.41 0.00 -0.08 -4.95 121.76 125.40 1m1h s ALA 107 Ca 0.23 1.31 -0.16 0.00 0.00 0.00 0.00 51.96 53.35 1m1h s ALA 107 Cb 0.13 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1m1h s ALA 107 CO 0.17 -0.72 1.17 -0.35 0.00 0.00 0.00 175.76 176.04 1m1h n PRO 108 N 1.37 0.67 -2.16 0.00 -0.04 -1.26 -4.75 135.00 128.83 1m1h n PRO 108 Ca 0.03 0.29 -0.39 0.00 -0.04 0.00 0.00 63.50 63.39 1m1h n PRO 108 Cb 0.41 -2.41 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1m1h n PRO 108 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1m1h s PRO 109 N -3.56 3.98 0.14 0.54 0.04 -1.26 -4.92 135.00 129.95 1m1h s PRO 109 Ca 0.77 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.87 1m1h s PRO 109 Cb -0.35 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1m1h s PRO 109 CO 0.46 -0.43 0.06 0.96 0.04 0.00 0.00 177.00 178.09 1m1h s ILE 110 N -1.33 4.20 0.00 0.56 -4.36 -0.15 -4.88 121.20 115.24 1m1h s ILE 110 Ca 0.57 -1.10 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 1m1h s ILE 110 Cb -0.35 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.28 1m1h s ILE 110 CO 0.44 -0.02 0.00 -1.54 0.24 0.00 0.00 174.94 174.06 1m1h n SER 111 N 0.04 0.00 -4.46 4.36 3.41 -1.26 -0.47 113.62 115.24 1m1h n SER 111 Ca -0.09 -0.16 -0.31 0.00 -0.26 0.00 0.00 58.87 58.05 1m1h n SER 111 Cb 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 1m1h n SER 111 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1m1h s LYS 112 N 0.00 2.13 0.23 4.33 1.02 -1.26 -4.95 119.74 121.24 1m1h s LYS 112 Ca 0.00 -0.94 -0.32 0.00 0.02 0.00 0.00 55.97 54.73 1m1h s LYS 112 Cb 0.00 -2.21 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 1m1h s LYS 112 CO 0.00 0.55 1.40 -0.35 -0.92 0.00 0.00 175.35 176.03 1m1h n PRO 113 N 1.64 1.96 0.00 -1.68 -0.04 -1.26 -1.27 135.00 134.35 1m1h n PRO 113 Ca -0.16 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1m1h n PRO 113 Cb 0.52 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1m1h n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m1h n GLY 114 N 2.24 2.32 3.77 0.55 0.00 0.43 -4.98 105.19 109.52 1m1h n GLY 114 Ca 0.12 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1m1h n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m1h s GLN 115 N 0.00 3.01 0.07 1.61 -0.21 -0.39 -4.83 119.66 118.92 1m1h s GLN 115 Ca 0.00 1.45 -0.19 0.00 0.02 0.00 0.00 55.36 56.64 1m1h s GLN 115 Cb 0.00 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 32.08 1m1h s GLN 115 CO 0.00 -1.09 0.46 -1.59 -2.12 0.00 0.00 175.29 170.95 1m1h s LYS 116 N -3.83 1.02 -0.11 2.91 -2.85 -1.26 -1.31 119.74 114.31 1m1h s LYS 116 Ca 0.69 -0.41 0.02 0.00 -1.00 0.00 0.00 55.97 55.27 1m1h s LYS 116 Cb -0.21 0.46 0.01 0.00 -2.06 0.00 0.00 37.83 36.03 1m1h s LYS 116 CO 0.36 -0.38 -0.17 0.42 0.10 0.00 0.00 175.35 175.69 1m1h s ILE 117 N -2.88 1.63 -0.18 3.79 1.01 0.50 -5.00 121.20 120.08 1m1h s ILE 117 Ca -0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1m1h s ILE 117 Cb -0.00 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1m1h s ILE 117 CO -0.05 0.47 -0.14 -0.89 0.00 0.00 0.00 174.94 174.33 1m1h s THR 118 N 0.87 2.67 -0.75 2.92 2.01 -1.26 -1.83 115.64 120.27 1m1h s THR 118 Ca -0.08 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 1m1h s THR 118 Cb -0.15 -2.15 0.17 0.00 0.01 0.00 0.00 72.50 70.38 1m1h s THR 118 CO -0.00 0.50 0.77 0.00 -0.69 0.00 0.00 174.62 175.19 1m1h h LYS 120 N 8.38 0.50 -0.05 0.00 3.64 -1.94 0.38 116.57 127.47 1m1h h LYS 120 Ca -0.02 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1m1h h LYS 120 Cb 1.06 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1m1h h LYS 120 CO 0.92 0.56 -0.36 1.49 -2.27 0.00 0.00 179.45 179.79 1m1h h GLU 121 N 0.48 0.34 -0.00 1.90 4.57 -1.91 -3.18 114.58 116.77 1m1h h GLU 121 Ca 0.10 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1m1h h GLU 121 Cb 0.38 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1m1h h GLU 121 CO 0.02 0.95 -0.29 -1.71 -1.18 0.00 0.00 179.01 176.79 1m1h n ASN 122 N -4.40 0.49 -3.09 1.04 5.15 -1.08 -4.62 115.26 108.75 1m1h n ASN 122 Ca -0.09 -0.28 -0.20 0.00 -0.60 0.00 0.00 54.58 53.41 1m1h n ASN 122 Cb 0.53 0.03 0.07 0.00 -0.53 0.00 0.00 39.78 39.88 1m1h n ASN 122 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1m1h n LYS 123 N -1.25 -6.64 -4.48 1.20 5.02 0.13 -1.63 118.16 110.51 1m1h n LYS 123 Ca 0.09 0.70 -0.24 0.00 -2.02 0.00 0.00 58.31 56.83 1m1h n LYS 123 Cb 0.33 -5.34 -0.10 0.00 -0.02 0.00 0.00 35.03 29.90 1m1h n LYS 123 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1m1h s THR 124 N -3.27 2.12 -0.05 -0.18 -4.23 -1.09 0.39 115.64 109.32 1m1h s THR 124 Ca 0.47 -2.24 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 1m1h s THR 124 Cb -0.21 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.25 1m1h s THR 124 CO 0.61 -0.30 0.79 -1.83 -0.54 0.00 0.00 174.62 173.35 1m1h s GLU 125 N -3.62 0.92 -0.09 3.99 -1.05 -0.23 -1.25 118.70 117.38 1m1h s GLU 125 Ca 0.30 0.07 0.03 0.00 -0.15 0.00 0.00 54.97 55.23 1m1h s GLU 125 Cb 0.01 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1m1h s GLU 125 CO 0.14 -0.32 -0.20 0.00 0.95 0.00 0.00 175.26 175.84 1m1h s ALA 126 N -1.70 1.83 0.01 -0.84 0.00 -0.76 -0.94 121.76 119.35 1m1h s ALA 126 Ca -0.05 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1m1h s ALA 126 Cb -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1m1h s ALA 126 CO 0.02 0.23 -0.14 0.21 0.00 0.00 0.00 175.76 176.08 1m1h s LYS 127 N 0.44 1.06 -0.23 0.00 2.20 -0.30 -0.37 119.74 122.54 1m1h s LYS 127 Ca -0.17 -0.58 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 1m1h s LYS 127 Cb -0.17 -1.05 -0.05 0.00 -1.51 0.00 0.00 37.83 35.06 1m1h s LYS 127 CO 0.07 0.28 0.19 0.42 -0.36 0.00 0.00 175.35 175.95 1m1h s ILE 128 N -0.49 5.34 0.33 5.43 1.01 -0.42 -0.23 121.20 132.17 1m1h s ILE 128 Ca 0.04 0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1m1h s ILE 128 Cb -0.06 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1m1h s ILE 128 CO 0.00 0.34 0.09 0.68 0.00 0.00 0.00 174.94 176.05 1m1h s VAL 129 N 1.07 0.81 -0.06 2.92 -7.23 0.01 -0.43 120.40 117.49 1m1h s VAL 129 Ca 0.09 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.28 1m1h s VAL 129 Cb -0.14 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1m1h s VAL 129 CO 0.05 0.00 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.97 1m1h s LEU 130 N -3.46 2.96 -0.57 1.32 1.43 -1.26 -0.54 118.68 118.57 1m1h s LEU 130 Ca 0.34 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 1m1h s LEU 130 Cb 0.07 -1.63 0.14 0.00 0.03 0.00 0.00 46.19 44.80 1m1h s LEU 130 CO 0.15 0.35 0.52 -0.62 0.23 0.00 0.00 176.35 176.98 1m1h s ASP 131 N -0.76 6.22 -0.39 2.29 3.68 0.03 -4.96 116.67 122.78 1m1h s ASP 131 Ca 0.12 -1.90 -0.04 0.00 2.13 0.00 0.00 52.55 52.86 1m1h s ASP 131 Cb -0.11 -2.20 0.03 0.00 -1.45 0.00 0.00 42.92 39.19 1m1h s ASP 131 CO 0.01 -0.82 2.85 0.59 0.13 0.00 0.00 175.17 177.93 1m1h n ASN 132 N 5.08 6.31 0.07 -0.34 5.03 -1.26 -3.31 115.26 126.84 1m1h n ASN 132 Ca -0.11 -3.11 -0.23 0.00 0.87 0.00 0.00 54.58 52.01 1m1h n ASN 132 Cb 0.41 -1.25 -0.15 0.00 -1.02 0.00 0.00 39.78 37.77 1m1h n ASN 132 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1m1h h LYS 133 N 2.94 0.38 0.16 3.52 3.64 -1.93 -3.28 116.57 122.00 1m1h h LYS 133 Ca 0.36 -0.66 -0.23 0.00 -1.27 0.00 0.00 60.65 58.85 1m1h h LYS 133 Cb 0.83 0.24 0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1m1h h LYS 133 CO 0.79 1.31 -1.02 0.82 -2.27 0.00 0.00 179.45 179.08 1m1h h ILE 134 N 0.10 1.43 -2.09 2.00 2.04 -1.90 -3.39 117.51 115.70 1m1h h ILE 134 Ca -0.35 -2.54 -0.55 0.00 1.00 0.00 0.00 64.86 62.42 1m1h h ILE 134 Cb 2.10 3.07 -0.40 0.00 -0.74 0.00 0.00 36.82 40.85 1m1h h ILE 134 CO 0.17 0.74 -0.95 0.49 0.00 0.00 0.00 178.15 178.60 1m1h n PHE 135 N -4.00 1.43 -2.06 1.37 3.01 -1.26 -5.11 117.46 110.84 1m1h n PHE 135 Ca -0.14 -3.84 -0.35 0.00 1.01 0.00 0.00 57.45 54.12 1m1h n PHE 135 Cb 0.90 -0.44 0.02 0.00 -0.01 0.00 0.00 39.48 39.96 1m1h n PHE 135 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1m1h s PRO 136 N -2.28 3.07 -0.38 -1.08 0.02 -1.24 -3.75 135.00 129.36 1m1h s PRO 136 Ca 0.40 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1m1h s PRO 136 Cb 0.25 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1m1h s PRO 136 CO -0.09 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.89 1m1h n GLY 137 N 0.30 0.66 2.97 0.52 0.00 -1.26 -4.96 105.19 103.42 1m1h n GLY 137 Ca 0.13 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1m1h n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m1h s TYR 138 N -2.11 0.13 0.10 1.61 1.51 -1.25 -0.95 117.35 116.39 1m1h s TYR 138 Ca 0.00 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1m1h s TYR 138 Cb 0.00 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 1m1h s TYR 138 CO 0.00 -0.15 -0.11 0.96 -1.11 0.00 0.00 175.55 175.15 1m1h s ILE 139 N -0.95 1.01 -0.02 2.71 -4.36 -0.86 -4.22 121.20 114.51 1m1h s ILE 139 Ca -0.10 -1.65 0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1m1h s ILE 139 Cb -0.06 -1.39 -0.03 0.00 1.25 0.00 0.00 42.46 42.23 1m1h s ILE 139 CO -0.00 -0.53 -0.15 -0.76 0.24 0.00 0.00 174.94 173.74 1m1h s LEU 140 N -2.44 2.72 0.02 0.37 1.43 0.12 -1.08 118.68 119.82 1m1h s LEU 140 Ca 0.06 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1m1h s LEU 140 Cb -0.03 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1m1h s LEU 140 CO 0.01 0.31 -0.14 0.27 0.23 0.00 0.00 176.35 177.03 1m1h s ILE 141 N -0.81 1.11 -0.28 -0.59 -4.36 -0.44 -0.33 121.20 115.51 1m1h s ILE 141 Ca 0.13 -0.81 -0.07 0.00 -0.26 0.00 0.00 60.65 59.64 1m1h s ILE 141 Cb -0.11 -0.97 -0.01 0.00 1.25 0.00 0.00 42.46 42.63 1m1h s ILE 141 CO 0.03 0.15 0.08 -0.75 0.24 0.00 0.00 174.94 174.69 1m1h s LYS 142 N -0.75 3.31 0.21 0.37 2.20 -0.04 -0.34 119.74 124.70 1m1h s LYS 142 Ca 0.04 -0.71 -0.16 0.00 -0.36 0.00 0.00 55.97 54.78 1m1h s LYS 142 Cb -0.07 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1m1h s LYS 142 CO 0.00 -0.35 0.51 0.00 -0.36 0.00 0.00 175.35 175.16 1m1h s ALA 143 N 1.54 -0.72 -0.43 3.13 0.00 0.17 -0.66 121.76 124.79 1m1h s ALA 143 Ca 0.04 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1m1h s ALA 143 Cb -0.16 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1m1h s ALA 143 CO 0.03 -0.83 0.43 -1.58 0.00 0.00 0.00 175.76 173.82 1m1h s HIS 144 N -3.92 3.17 0.08 0.00 2.46 0.65 -0.75 115.29 116.98 1m1h s HIS 144 Ca 0.13 -0.45 -0.30 0.00 0.47 0.00 0.00 55.06 54.91 1m1h s HIS 144 Cb -0.01 -2.93 -0.05 0.00 -0.13 0.00 0.00 32.58 29.46 1m1h s HIS 144 CO 0.01 -0.72 1.00 1.41 -2.47 0.00 0.00 174.74 173.97 1m1h s MET 145 N 2.09 4.63 0.20 2.88 1.75 -1.26 -4.87 119.30 124.72 1m1h s MET 145 Ca 0.11 1.49 -0.01 0.00 -1.25 0.00 0.00 55.69 56.03 1m1h s MET 145 Cb -0.18 -3.39 0.01 0.00 2.84 0.00 0.00 34.83 34.11 1m1h s MET 145 CO 0.13 0.09 0.28 0.27 -0.65 0.00 0.00 175.02 175.14 1m1h n ASN 146 N 3.15 -0.79 -0.09 1.11 2.04 -1.26 -5.05 115.26 114.38 1m1h n ASN 146 Ca 0.04 -2.06 -0.11 0.00 -0.44 0.00 0.00 54.58 52.01 1m1h n ASN 146 Cb 0.49 1.46 -0.04 0.00 -2.53 0.00 0.00 39.78 39.16 1m1h n ASN 146 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1m1h h ASP 147 N 1.11 0.47 -0.45 0.53 3.45 -1.99 -1.55 116.42 117.98 1m1h h ASP 147 Ca -0.15 -0.29 -0.03 0.00 0.43 0.00 0.00 57.03 56.98 1m1h h ASP 147 Cb 0.67 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 1m1h h ASP 147 CO 0.21 0.65 0.17 0.50 -1.57 0.00 0.00 179.24 179.20 1m1h h LYS 148 N 0.27 0.69 -0.69 3.56 3.64 -1.99 -1.00 116.57 121.05 1m1h h LYS 148 Ca 0.08 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1m1h h LYS 148 Cb 0.40 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1m1h h LYS 148 CO 0.01 0.63 0.18 1.25 -2.27 0.00 0.00 179.45 179.26 1m1h h LEU 149 N 0.59 1.03 -0.21 5.20 5.85 -1.90 -0.91 115.31 124.97 1m1h h LEU 149 Ca 0.15 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1m1h h LEU 149 Cb 0.21 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1m1h h LEU 149 CO -0.01 0.99 0.11 0.25 -0.34 0.00 0.00 178.44 179.44 1m1h h LEU 150 N 1.03 0.26 -1.13 2.25 6.46 -0.98 -0.43 115.31 122.77 1m1h h LEU 150 Ca 0.22 -0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1m1h h LEU 150 Cb 0.35 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1m1h h LEU 150 CO -0.00 0.28 -0.09 0.24 -0.62 0.00 0.00 178.44 178.25 1m1h h MET 151 N 0.22 0.51 -0.37 1.25 2.86 -1.05 -2.36 114.93 115.99 1m1h h MET 151 Ca 0.07 -0.13 -0.16 0.00 -2.06 0.00 0.00 59.70 57.42 1m1h h MET 151 Cb 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1m1h h MET 151 CO -0.01 0.60 -0.40 0.00 1.06 0.00 0.00 176.91 178.16 1m1h h ALA 152 N 1.44 0.59 -0.05 6.32 0.00 -0.67 -2.17 119.26 124.71 1m1h h ALA 152 Ca 0.09 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1m1h h ALA 152 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1m1h h ALA 152 CO 0.02 0.68 -0.10 0.82 0.00 0.00 0.00 179.25 180.67 1m1h h ILE 153 N 0.74 0.73 0.00 0.00 2.04 -0.97 -2.15 117.51 117.90 1m1h h ILE 153 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1m1h h ILE 153 Cb 0.99 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1m1h h ILE 153 CO 0.10 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 177.92 1m1h h GLU 154 N -0.15 0.00 -0.25 2.37 5.08 -1.19 -2.25 114.58 118.19 1m1h h GLU 154 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1m1h h GLU 154 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1m1h h GLU 154 CO -0.14 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.50 1m1h n LYS 155 N -2.95 2.42 -2.51 2.33 5.02 -0.84 -4.81 118.16 116.83 1m1h n LYS 155 Ca -0.00 -2.15 -0.42 0.00 -2.02 0.00 0.00 58.31 53.72 1m1h n LYS 155 Cb 0.24 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1m1h n LYS 155 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1m1h s THR 156 N -1.66 4.36 0.08 -0.18 2.01 -0.83 -4.96 115.64 114.46 1m1h s THR 156 Ca 0.34 1.68 -0.13 0.00 0.31 0.00 0.00 61.69 63.89 1m1h s THR 156 Cb 0.22 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1m1h s THR 156 CO 0.31 -0.01 0.71 -2.65 -0.69 0.00 0.00 174.62 172.29 1m1h n PRO 157 N 5.23 -0.19 -0.81 4.92 -0.02 -1.26 -0.66 135.00 142.21 1m1h n PRO 157 Ca 0.11 0.69 -0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1m1h n PRO 157 Cb 0.47 -1.02 0.26 0.00 -0.02 0.00 0.00 33.50 33.18 1m1h n PRO 157 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1m1h n HIS 158 N -4.59 1.68 -4.41 6.00 8.25 -1.26 -4.94 115.22 115.96 1m1h n HIS 158 Ca 0.01 -1.25 -0.34 0.00 -0.26 0.00 0.00 57.72 55.88 1m1h n HIS 158 Cb 0.13 -0.54 -0.11 0.00 1.12 0.00 0.00 29.99 30.58 1m1h n HIS 158 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m1h s VAL 159 N -3.03 4.02 -0.37 1.59 1.01 0.16 -0.91 120.40 122.88 1m1h s VAL 159 Ca 0.49 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1m1h s VAL 159 Cb 0.40 -2.73 0.11 0.00 0.00 0.00 0.00 36.38 34.16 1m1h s VAL 159 CO 0.08 0.53 0.10 0.12 0.00 0.00 0.00 175.10 175.93 1m1h s PHE 160 N -0.11 3.35 0.00 5.22 5.36 0.11 -4.66 117.98 127.26 1m1h s PHE 160 Ca 0.03 -2.85 0.00 0.00 -0.96 0.00 0.00 56.93 53.14 1m1h s PHE 160 Cb -0.13 -2.72 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 1m1h s PHE 160 CO 0.02 -0.90 0.00 2.89 -1.46 0.00 0.00 175.22 175.77 1m1h n ARG 161 N 4.12 0.00 -1.61 10.12 -4.01 -1.23 -3.28 116.66 120.77 1m1h n ARG 161 Ca 0.04 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.54 1m1h n ARG 161 Cb 0.40 -0.34 0.05 0.00 -3.04 0.00 0.00 32.46 29.53 1m1h n ARG 161 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1m1h s PRO 162 N -3.37 2.94 -0.10 2.89 0.05 -1.26 -0.17 135.00 135.98 1m1h s PRO 162 Ca 0.00 0.89 -0.30 0.00 0.05 0.00 0.00 61.00 61.64 1m1h s PRO 162 Cb 0.00 -2.00 -0.03 0.00 0.05 0.00 0.00 34.50 32.52 1m1h s PRO 162 CO 0.00 -1.08 1.40 0.08 0.05 0.00 0.00 177.00 177.46 1m1h s VAL 163 N -3.08 3.97 0.12 -0.36 1.01 -0.32 -4.79 120.40 116.94 1m1h s VAL 163 Ca 0.58 1.21 0.06 0.00 0.00 0.00 0.00 61.98 63.83 1m1h s VAL 163 Cb -0.14 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1m1h s VAL 163 CO 0.55 -0.08 -0.14 -0.04 0.00 0.00 0.00 175.10 175.38 1m1h s MET 164 N 3.39 1.01 -0.13 2.72 -1.94 -1.26 -1.18 119.30 121.91 1m1h s MET 164 Ca 0.62 -1.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1m1h s MET 164 Cb -0.27 -0.91 0.01 0.00 2.01 0.00 0.00 34.83 35.67 1m1h s MET 164 CO 0.22 0.18 -0.20 0.08 -0.01 0.00 0.00 175.02 175.29 1m1h s VAL 165 N -2.04 1.87 -1.44 -6.03 1.01 -0.13 -4.72 120.40 108.92 1m1h s VAL 165 Ca 0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1m1h s VAL 165 Cb -0.05 -1.66 0.07 0.00 0.00 0.00 0.00 36.38 34.73 1m1h s VAL 165 CO 0.03 0.51 0.71 0.61 0.00 0.00 0.00 175.10 176.96 1m1h n GLY 166 N 4.10 -0.50 3.06 4.51 0.00 -1.26 -1.18 105.19 113.93 1m1h n GLY 166 Ca -0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1m1h n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m1h n GLY 167 N -1.44 0.81 3.48 -0.02 0.00 -1.26 -5.00 105.19 101.76 1m1h n GLY 167 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1m1h n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m1h s LYS 168 N -0.17 3.47 0.19 1.61 1.02 -0.32 -5.02 119.74 120.51 1m1h s LYS 168 Ca 0.00 -0.64 -0.33 0.00 0.02 0.00 0.00 55.97 55.02 1m1h s LYS 168 Cb 0.00 -3.61 -0.14 0.00 -0.52 0.00 0.00 37.83 33.56 1m1h s LYS 168 CO 0.00 -0.38 1.45 -2.30 -0.92 0.00 0.00 175.35 173.20 1m1h n PRO 169 N 5.01 1.91 -3.13 -1.68 -0.02 -1.26 -0.96 135.00 134.88 1m1h n PRO 169 Ca -0.14 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 1m1h n PRO 169 Cb 0.50 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 1m1h n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1m1h s VAL 170 N 0.37 4.92 0.42 -1.45 1.01 -0.32 -4.86 120.40 120.49 1m1h s VAL 170 Ca 0.75 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 63.16 1m1h s VAL 170 Cb -0.71 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 31.56 1m1h s VAL 170 CO 0.45 -0.23 1.13 -2.84 0.00 0.00 0.00 175.10 173.61 1m1h s PRO 171 N 2.63 4.01 -0.10 2.72 0.02 -1.26 -4.48 135.00 138.53 1m1h s PRO 171 Ca 0.24 1.73 -0.04 0.00 0.02 0.00 0.00 61.00 62.95 1m1h s PRO 171 Cb -0.15 -2.56 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 1m1h s PRO 171 CO 0.13 -0.33 0.04 -0.51 -0.33 0.00 0.00 177.00 176.00 1m1h s LEU 172 N -2.68 3.77 0.58 -5.54 1.43 0.10 -5.00 118.68 111.34 1m1h s LEU 172 Ca 0.59 0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 1m1h s LEU 172 Cb -0.28 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1m1h s LEU 172 CO 0.34 0.36 1.07 -1.59 0.23 0.00 0.00 176.35 176.77 1m1h s LYS 173 N -0.76 3.31 0.32 1.70 0.00 -1.26 -3.95 119.74 119.09 1m1h s LYS 173 Ca 0.12 1.32 0.09 0.00 0.00 0.00 0.00 55.97 57.50 1m1h s LYS 173 Cb -0.12 -2.02 0.87 0.00 0.00 0.00 0.00 37.83 36.56 1m1h s LYS 173 CO 0.02 -0.83 1.73 1.49 0.00 0.00 0.00 175.35 177.76 1m1h h GLU 174 N 0.66 0.56 -0.94 1.78 4.57 -1.99 -0.09 114.58 119.14 1m1h h GLU 174 Ca -0.48 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1m1h h GLU 174 Cb 1.23 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 1m1h h GLU 174 CO 0.57 0.37 0.58 1.49 -1.18 0.00 0.00 179.01 180.83 1m1h h GLU 175 N 0.57 1.27 -0.06 1.92 4.81 -1.99 -1.76 114.58 119.34 1m1h h GLU 175 Ca 0.64 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.59 1m1h h GLU 175 Cb 1.20 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1m1h h GLU 175 CO -0.48 0.88 -0.70 1.49 -0.73 0.00 0.00 179.01 179.47 1m1h h GLU 176 N 1.29 0.28 -0.20 1.92 4.81 -1.38 -1.12 114.58 120.18 1m1h h GLU 176 Ca 0.34 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1m1h h GLU 176 Cb -0.07 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1m1h h GLU 176 CO -0.07 0.87 -0.08 0.28 -0.73 0.00 0.00 179.01 179.29 1m1h h VAL 177 N 0.20 1.30 -0.81 0.32 2.07 -1.14 -1.16 116.25 117.03 1m1h h VAL 177 Ca -0.02 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.42 1m1h h VAL 177 Cb 1.26 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 1m1h h VAL 177 CO 0.11 0.34 0.53 -0.61 0.02 0.00 0.00 177.57 177.97 1m1h h GLN 178 N 0.12 0.96 0.12 1.57 4.15 -1.30 0.18 115.11 120.91 1m1h h GLN 178 Ca 0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1m1h h GLN 178 Cb 0.56 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1m1h h GLN 178 CO 0.03 0.64 -0.06 -0.97 -1.93 0.00 0.00 178.83 176.54 1m1h h ASN 179 N 0.99 -0.14 0.45 -0.69 -0.00 -0.88 0.14 115.58 115.45 1m1h h ASN 179 Ca 0.32 -0.13 -0.10 0.00 -0.00 0.00 0.00 56.30 56.40 1m1h h ASN 179 Cb 0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.39 1m1h h ASN 179 CO -0.10 0.04 -0.47 0.16 -0.00 0.00 0.00 177.43 177.07 1m1h h ILE 180 N -0.31 1.34 0.00 2.57 -0.00 -0.70 -0.78 117.51 119.62 1m1h h ILE 180 Ca -0.02 -1.62 -0.04 0.00 -0.00 0.00 0.00 64.86 63.18 1m1h h ILE 180 Cb 0.25 1.86 -0.01 0.00 -0.00 0.00 0.00 36.82 38.93 1m1h h ILE 180 CO 0.03 0.47 -0.18 -0.07 -0.00 0.00 0.00 178.15 178.39 1m1h h LEU 181 N 0.02 0.00 0.00 0.16 3.38 -0.49 -2.00 115.31 116.39 1m1h h LEU 181 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1m1h h LEU 181 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1m1h h LEU 181 CO 0.06 0.18 -0.18 0.59 0.09 0.00 0.00 178.44 179.18 1m1h n ASN 182 N -3.30 0.80 0.01 -0.43 5.03 0.48 -2.77 115.26 115.08 1m1h n ASN 182 Ca 0.01 0.44 0.12 0.00 0.87 0.00 0.00 54.58 56.02 1m1h n ASN 182 Cb 0.44 -0.52 0.20 0.00 -1.02 0.00 0.00 39.78 38.87 1m1h n ASN 182 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1m1h n GLN 183 N -2.23 0.09 -0.75 3.52 7.27 -0.75 -2.13 117.38 122.40 1m1h n GLN 183 Ca 0.05 0.02 -0.03 0.00 0.07 0.00 0.00 57.00 57.11 1m1h n GLN 183 Cb 0.43 -1.54 0.22 0.00 2.41 0.00 0.00 30.24 31.76 1m1h n GLN 183 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1m1h n ILE 184 N -1.66 2.56 0.00 1.69 5.41 -1.04 -4.66 119.36 121.65 1m1h n ILE 184 Ca 0.05 -2.36 0.00 0.00 1.00 0.00 0.00 62.75 61.44 1m1h n ILE 184 Cb 0.37 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 1m1h n ILE 184 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1m1h n LYS 185 N -0.90 0.00 0.00 0.38 4.81 -1.21 -4.63 118.16 116.61 1m1h n LYS 185 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1m1h n LYS 185 Cb 1.08 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.13 1m1h n LYS 185 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46