#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nhh s HIS 8 N 0.00 0.70 0.19 -1.77 -3.43 -1.26 -5.10 115.29 104.62 3nhh s HIS 8 Ca 0.00 -0.34 -0.30 0.00 -0.80 0.00 0.00 55.06 53.62 3nhh s HIS 8 Cb 0.00 -0.43 -0.08 0.00 -1.43 0.00 0.00 32.58 30.65 3nhh s HIS 8 CO 0.00 -0.04 0.98 0.15 -2.00 0.00 0.00 174.74 173.83 3nhh s LYS 9 N -1.02 4.75 0.14 -0.38 1.02 -1.26 -4.28 119.74 118.71 3nhh s LYS 9 Ca -0.04 1.53 0.07 0.00 0.02 0.00 0.00 55.97 57.55 3nhh s LYS 9 Cb -0.07 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3nhh s LYS 9 CO 0.00 0.33 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.39 3nhh s GLU 10 N -0.70 1.14 0.53 1.68 2.02 0.66 -4.95 118.70 119.08 3nhh s GLU 10 Ca 0.44 -1.30 -0.18 0.00 0.02 0.00 0.00 54.97 53.96 3nhh s GLU 10 Cb -0.26 -1.15 -0.07 0.00 0.10 0.00 0.00 34.13 32.76 3nhh s GLU 10 CO 0.32 0.23 1.02 -2.14 0.02 0.00 0.00 175.26 174.72 3nhh s PRO 11 N -2.61 3.72 0.27 0.39 0.02 -1.26 -0.23 135.00 135.30 3nhh s PRO 11 Ca 0.11 1.16 -0.18 0.00 0.02 0.00 0.00 61.00 62.12 3nhh s PRO 11 Cb -0.06 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.38 3nhh s PRO 11 CO 0.05 -0.47 0.64 0.00 -0.33 0.00 0.00 177.00 176.88 3nhh s ALA 12 N -2.35 -0.85 0.08 -1.55 0.00 -0.96 -4.54 121.76 111.58 3nhh s ALA 12 Ca 0.63 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.12 3nhh s ALA 12 Cb -0.14 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 3nhh s ALA 12 CO 0.28 -0.97 -0.17 0.95 0.00 0.00 0.00 175.76 175.85 3nhh s THR 13 N -3.88 1.37 0.12 0.00 -4.23 -0.85 -4.16 115.64 104.02 3nhh s THR 13 Ca 0.15 -1.35 -0.31 0.00 -1.18 0.00 0.00 61.69 59.00 3nhh s THR 13 Cb -0.04 -1.27 -0.08 0.00 1.34 0.00 0.00 72.50 72.45 3nhh s THR 13 CO 0.08 -0.11 1.42 -0.22 -0.54 0.00 0.00 174.62 175.26 3nhh s LEU 14 N -1.69 4.37 -0.25 4.79 2.96 -1.26 -0.39 118.68 127.22 3nhh s LEU 14 Ca 0.02 2.38 -0.13 0.00 -0.22 0.00 0.00 54.13 56.19 3nhh s LEU 14 Cb -0.10 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.85 3nhh s LEU 14 CO 0.03 -0.69 -0.16 -0.38 -1.32 0.00 0.00 176.35 173.83 3nhh n ILE 15 N 3.96 1.54 -3.64 6.68 5.41 0.09 -4.82 119.36 128.57 3nhh n ILE 15 Ca 0.12 -0.35 -0.06 0.00 1.00 0.00 0.00 62.75 63.46 3nhh n ILE 15 Cb 0.42 -1.84 -0.07 0.00 -0.71 0.00 0.00 39.64 37.44 3nhh n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3nhh s LYS 16 N -2.48 0.59 0.21 0.38 2.20 -0.61 -4.99 119.74 115.04 3nhh s LYS 16 Ca -0.35 0.99 -0.32 0.00 -0.36 0.00 0.00 55.97 55.93 3nhh s LYS 16 Cb 0.11 0.13 -0.12 0.00 -1.51 0.00 0.00 37.83 36.44 3nhh s LYS 16 CO 0.55 -0.12 1.72 0.00 -0.36 0.00 0.00 175.35 177.14 3nhh s ALA 17 N 1.45 3.94 -0.01 3.13 0.00 -1.26 -0.42 121.76 128.58 3nhh s ALA 17 Ca -0.09 1.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 3nhh s ALA 17 Cb -0.04 -3.70 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 3nhh s ALA 17 CO -0.17 -0.93 -0.04 -0.89 0.00 0.00 0.00 175.76 173.73 3nhh n ILE 18 N 3.93 0.35 -3.24 0.00 5.41 -0.97 -4.89 119.36 119.94 3nhh n ILE 18 Ca 0.16 0.26 0.00 0.00 1.00 0.00 0.00 62.75 64.16 3nhh n ILE 18 Cb 0.35 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 3nhh n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3nhh n ASP 19 N -2.87 0.00 -0.28 4.38 5.68 -0.67 -5.00 116.55 117.79 3nhh n ASP 19 Ca -0.02 -0.81 0.15 0.00 -0.50 0.00 0.00 54.79 53.62 3nhh n ASP 19 Cb 0.07 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.47 3nhh n ASP 19 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3nhh h GLY 20 N 0.00 1.18 1.47 6.12 0.00 -1.84 -2.81 103.07 107.20 3nhh h GLY 20 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 3nhh h GLY 20 CO 0.00 0.01 -1.11 -0.55 0.00 0.00 0.00 176.54 174.89 3nhh h ASP 21 N 0.58 0.00 -4.66 0.19 3.45 -1.93 -3.47 116.42 110.58 3nhh h ASP 21 Ca 0.49 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.81 3nhh h ASP 21 Cb 0.97 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.52 3nhh h ASP 21 CO -0.23 0.70 -0.41 0.42 -1.57 0.00 0.00 179.24 178.15 3nhh s THR 22 N -2.84 0.05 0.09 0.35 -4.23 -1.06 -1.89 115.64 106.11 3nhh s THR 22 Ca -0.00 -0.43 0.05 0.00 -1.18 0.00 0.00 61.69 60.12 3nhh s THR 22 Cb 0.08 -0.47 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 3nhh s THR 22 CO 0.80 -0.24 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.89 3nhh s GLU 23 N -0.95 0.88 -0.16 3.99 8.01 -1.15 -1.68 118.70 127.64 3nhh s GLU 23 Ca -0.10 -1.08 -0.23 0.00 0.01 0.00 0.00 54.97 53.57 3nhh s GLU 23 Cb -0.05 -0.79 -0.02 0.00 -4.31 0.00 0.00 34.13 28.96 3nhh s GLU 23 CO 0.02 0.16 0.73 0.21 0.01 0.00 0.00 175.26 176.39 3nhh s LYS 24 N -2.22 4.29 0.11 1.61 2.20 0.43 -0.77 119.74 125.39 3nhh s LYS 24 Ca 0.03 0.83 0.06 0.00 -0.36 0.00 0.00 55.97 56.53 3nhh s LYS 24 Cb -0.07 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 3nhh s LYS 24 CO 0.02 -0.23 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.12 3nhh s LEU 25 N 1.83 2.35 -0.26 5.43 1.43 0.10 -0.73 118.68 128.82 3nhh s LEU 25 Ca 0.34 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 3nhh s LEU 25 Cb -0.16 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 3nhh s LEU 25 CO 0.12 -0.08 0.33 -0.32 0.23 0.00 0.00 176.35 176.63 3nhh s MET 26 N -2.28 4.02 -0.05 1.70 -2.45 0.48 -0.78 119.30 119.95 3nhh s MET 26 Ca 0.06 -0.03 0.02 0.00 -1.25 0.00 0.00 55.69 54.49 3nhh s MET 26 Cb -0.07 -3.64 0.01 0.00 1.25 0.00 0.00 34.83 32.38 3nhh s MET 26 CO 0.03 -0.21 -0.10 -0.47 1.05 0.00 0.00 175.02 175.31 3nhh s TYR 27 N 1.88 1.21 -1.28 4.11 5.04 -0.23 -2.00 117.35 126.08 3nhh s TYR 27 Ca 0.13 -0.40 -0.13 0.00 -2.44 0.00 0.00 57.07 54.24 3nhh s TYR 27 Cb -0.16 -0.91 0.12 0.00 0.35 0.00 0.00 41.96 41.36 3nhh s TYR 27 CO 0.10 -0.21 0.47 1.63 -1.34 0.00 0.00 175.55 176.20 3nhh n LYS 28 N 3.71 -2.60 -0.89 4.97 5.02 -1.26 -1.41 118.16 125.70 3nhh n LYS 28 Ca -0.22 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3nhh n LYS 28 Cb 0.52 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 3nhh n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3nhh n GLY 29 N -1.06 0.66 3.16 0.72 0.00 -1.26 -5.03 105.19 102.38 3nhh n GLY 29 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3nhh n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3nhh s GLN 30 N -0.11 1.74 0.27 1.61 -1.52 -0.50 -5.09 119.66 116.06 3nhh s GLN 30 Ca 0.00 -0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 3nhh s GLN 30 Cb 0.00 -1.57 -0.10 0.00 -0.22 0.00 0.00 33.01 31.13 3nhh s GLN 30 CO 0.00 0.31 1.38 -1.25 -0.25 0.00 0.00 175.29 175.48 3nhh s PRO 31 N -0.14 4.31 -0.12 2.91 0.04 -1.26 -1.06 135.00 139.68 3nhh s PRO 31 Ca 0.00 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 3nhh s PRO 31 Cb -0.10 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.36 3nhh s PRO 31 CO 0.01 -0.32 0.35 -1.64 0.04 0.00 0.00 177.00 175.44 3nhh s MET 32 N -0.78 0.44 -0.01 4.56 -1.94 0.04 -4.93 119.30 116.69 3nhh s MET 32 Ca 0.56 0.42 -0.30 0.00 -1.71 0.00 0.00 55.69 54.66 3nhh s MET 32 Cb -0.40 0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.61 3nhh s MET 32 CO 0.46 -0.06 1.08 0.99 -0.01 0.00 0.00 175.02 177.47 3nhh s THR 33 N 0.03 4.53 -0.15 2.05 2.01 -1.26 0.00 115.64 122.85 3nhh s THR 33 Ca -0.01 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.76 3nhh s THR 33 Cb -0.03 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 3nhh s THR 33 CO 0.01 0.09 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.66 3nhh s PHE 34 N 1.39 3.10 -0.16 4.92 0.40 0.05 -0.32 117.98 127.36 3nhh s PHE 34 Ca 0.54 -0.13 -0.05 0.00 -0.60 0.00 0.00 56.93 56.69 3nhh s PHE 34 Cb -0.23 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 3nhh s PHE 34 CO 0.26 0.09 -0.00 0.50 0.70 0.00 0.00 175.22 176.76 3nhh s ARG 35 N 0.16 3.77 0.06 0.44 6.06 0.18 -2.94 118.95 126.68 3nhh s ARG 35 Ca 0.00 -0.46 -0.31 0.00 -2.50 0.00 0.00 55.73 52.46 3nhh s ARG 35 Cb -0.13 -3.02 -0.07 0.00 0.06 0.00 0.00 34.95 31.79 3nhh s ARG 35 CO 0.02 0.25 1.43 0.15 -2.50 0.00 0.00 175.30 174.65 3nhh s LYS 36 N 0.37 4.29 0.35 5.12 1.02 -0.79 -2.83 119.74 127.26 3nhh s LYS 36 Ca -0.02 2.07 -0.28 0.00 0.02 0.00 0.00 55.97 57.75 3nhh s LYS 36 Cb -0.14 -3.42 -0.11 0.00 -0.52 0.00 0.00 37.83 33.65 3nhh s LYS 36 CO 0.02 -0.53 1.39 -0.51 -0.92 0.00 0.00 175.35 174.80 3nhh s LEU 37 N 1.82 4.38 0.00 3.17 1.43 -0.88 -3.85 118.68 124.75 3nhh s LEU 37 Ca 0.65 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.61 3nhh s LEU 37 Cb -0.35 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.21 3nhh s LEU 37 CO 0.29 -0.70 0.00 0.18 0.23 0.00 0.00 176.35 176.35 3nhh n LEU 38 N 0.69 0.00 -4.25 1.79 4.77 -1.25 -4.91 117.00 113.84 3nhh n LEU 38 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 3nhh n LEU 38 Cb 0.41 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 3nhh n LEU 38 CO 0.61 -0.00 -0.39 0.68 -1.33 0.00 0.00 177.39 176.96 3nhh s VAL 39 N -2.64 1.05 -0.11 4.08 -7.23 -1.22 -1.42 120.40 112.91 3nhh s VAL 39 Ca 0.00 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3nhh s VAL 39 Cb 0.00 -1.92 0.04 0.00 0.56 0.00 0.00 36.38 35.06 3nhh s VAL 39 CO 0.00 -0.68 0.06 -0.62 -0.31 0.00 0.00 175.10 173.55 3nhh s ASP 40 N -3.17 1.84 0.17 4.85 2.15 0.58 -4.70 116.67 118.39 3nhh s ASP 40 Ca 0.18 -0.29 -0.07 0.00 0.43 0.00 0.00 52.55 52.80 3nhh s ASP 40 Cb 0.04 -0.28 -0.06 0.00 -0.30 0.00 0.00 42.92 42.31 3nhh s ASP 40 CO 0.01 -0.28 0.44 0.42 -0.17 0.00 0.00 175.17 175.59 3nhh s THR 41 N 2.09 5.08 0.36 1.71 -4.23 -1.26 -1.50 115.64 117.89 3nhh s THR 41 Ca 0.03 0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 3nhh s THR 41 Cb -0.14 -3.62 -0.12 0.00 1.34 0.00 0.00 72.50 69.96 3nhh s THR 41 CO -0.06 0.00 1.32 -2.65 -0.54 0.00 0.00 174.62 172.70 3nhh n PRO 42 N 0.02 2.20 -1.14 3.99 -0.02 -1.26 -4.91 135.00 133.88 3nhh n PRO 42 Ca -0.01 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 3nhh n PRO 42 Cb 0.52 -2.40 0.18 0.00 -0.02 0.00 0.00 33.50 31.78 3nhh n PRO 42 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3nhh s GLU 43 N -1.96 0.40 0.34 -0.52 0.41 -1.26 -4.38 118.70 111.73 3nhh s GLU 43 Ca 0.56 0.55 0.05 0.00 -0.41 0.00 0.00 54.97 55.71 3nhh s GLU 43 Cb -0.54 -1.73 0.69 0.00 -1.78 0.00 0.00 34.13 30.76 3nhh s GLU 43 CO 0.62 -2.76 1.94 0.35 -0.49 0.00 0.00 175.26 174.92 3nhh h PHE 50 N -1.91 0.85 -0.00 1.61 3.57 -1.95 -1.70 116.94 117.40 3nhh h PHE 50 Ca -0.55 0.02 0.00 0.00 3.53 0.00 0.00 57.97 60.98 3nhh h PHE 50 Cb 1.33 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.79 3nhh h PHE 50 CO 0.30 0.44 -0.36 0.27 -2.23 0.00 0.00 178.31 176.72 3nhh n ASN 51 N -4.49 0.59 -4.89 0.41 6.94 -1.26 -3.68 115.26 108.89 3nhh n ASN 51 Ca 0.12 -0.38 -0.29 0.00 -0.02 0.00 0.00 54.58 54.01 3nhh n ASN 51 Cb 0.24 0.13 0.05 0.00 -2.36 0.00 0.00 39.78 37.84 3nhh n ASN 51 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3nhh s GLU 52 N -2.83 2.76 0.31 -3.83 2.02 -0.64 -4.99 118.70 111.49 3nhh s GLU 52 Ca 0.16 0.34 -0.29 0.00 0.02 0.00 0.00 54.97 55.21 3nhh s GLU 52 Cb 0.18 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 32.26 3nhh s GLU 52 CO 0.62 -1.06 1.30 0.21 0.02 0.00 0.00 175.26 176.35 3nhh s LYS 53 N -5.33 4.38 0.00 1.61 2.20 -1.26 -1.95 119.74 119.38 3nhh s LYS 53 Ca 0.58 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 3nhh s LYS 53 Cb -0.11 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3nhh s LYS 53 CO 0.50 -0.17 0.00 0.66 -0.36 0.00 0.00 175.35 175.98 3nhh n TYR 54 N 1.13 0.00 0.04 4.03 4.01 -1.26 -4.76 117.16 120.34 3nhh n TYR 54 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.62 3nhh n TYR 54 Cb 0.42 -1.68 -0.08 0.00 -0.31 0.00 0.00 39.34 37.69 3nhh n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3nhh h GLY 55 N 0.00 -0.05 1.17 2.72 0.00 -1.53 -0.77 103.07 104.61 3nhh h GLY 55 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3nhh h GLY 55 CO 0.00 -0.02 0.24 -2.55 0.00 0.00 0.00 176.54 174.22 3nhh h PRO 56 N -0.22 1.05 -0.57 4.80 0.11 -1.76 -2.43 132.00 132.97 3nhh h PRO 56 Ca -0.01 -0.20 -0.09 0.00 0.11 0.00 0.00 66.00 65.82 3nhh h PRO 56 Cb 0.20 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3nhh h PRO 56 CO 0.01 0.87 0.01 0.93 -0.21 0.00 0.00 178.00 179.61 3nhh h GLU 57 N 1.02 0.98 -0.07 1.05 3.07 -1.92 -1.60 114.58 117.10 3nhh h GLU 57 Ca 0.23 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3nhh h GLU 57 Cb 0.24 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3nhh h GLU 57 CO -0.01 0.96 0.04 0.00 -1.40 0.00 0.00 179.01 178.59 3nhh h ALA 58 N 1.10 0.09 -0.93 3.43 0.00 -0.96 -1.24 119.26 120.75 3nhh h ALA 58 Ca 0.17 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3nhh h ALA 58 Cb 0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3nhh h ALA 58 CO 0.03 -0.35 0.61 0.77 0.00 0.00 0.00 179.25 180.31 3nhh h SER 59 N -0.00 1.03 -0.28 0.00 0.02 -1.32 -1.79 113.55 111.21 3nhh h SER 59 Ca 0.02 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3nhh h SER 59 Cb 0.11 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3nhh h SER 59 CO -0.00 0.72 -0.16 0.00 -1.14 0.00 0.00 176.83 176.25 3nhh h ALA 60 N 1.44 1.00 0.04 3.77 0.00 -1.08 0.87 119.26 125.30 3nhh h ALA 60 Ca 0.36 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3nhh h ALA 60 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3nhh h ALA 60 CO -0.10 0.60 -0.02 0.35 0.00 0.00 0.00 179.25 180.08 3nhh h PHE 61 N 0.65 -0.05 -0.19 0.00 3.57 -0.78 -1.50 116.94 118.63 3nhh h PHE 61 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3nhh h PHE 61 Cb 0.63 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3nhh h PHE 61 CO 0.03 0.25 0.07 0.00 -2.23 0.00 0.00 178.31 176.43 3nhh h THR 62 N -0.36 1.17 -0.65 4.41 1.03 -1.31 -1.95 112.91 115.26 3nhh h THR 62 Ca -0.01 -0.53 0.11 0.00 -0.01 0.00 0.00 66.41 65.98 3nhh h THR 62 Cb 0.33 1.16 -0.08 0.00 -1.07 0.00 0.00 68.15 68.49 3nhh h THR 62 CO 0.01 0.17 0.24 0.50 -0.01 0.00 0.00 175.52 176.42 3nhh h LYS 63 N 0.15 0.39 -0.27 0.00 3.64 -0.78 -0.31 116.57 119.39 3nhh h LYS 63 Ca 0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3nhh h LYS 63 Cb 0.20 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3nhh h LYS 63 CO -0.00 0.26 0.02 -0.22 -2.27 0.00 0.00 179.45 177.23 3nhh h LYS 64 N 0.40 0.47 -0.50 1.90 3.64 -1.25 -0.30 116.57 120.93 3nhh h LYS 64 Ca 0.34 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3nhh h LYS 64 Cb 0.46 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3nhh h LYS 64 CO -0.35 0.61 0.33 1.98 -2.27 0.00 0.00 179.45 179.75 3nhh h MET 65 N 0.27 0.65 0.07 1.90 4.05 -0.64 -1.11 114.93 120.11 3nhh h MET 65 Ca 0.08 -0.04 -0.27 0.00 -0.28 0.00 0.00 59.70 59.20 3nhh h MET 65 Cb 0.39 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3nhh h MET 65 CO 0.01 0.43 -1.30 -0.39 0.23 0.00 0.00 176.91 175.88 3nhh h VAL 66 N 0.67 1.39 -0.33 -5.77 -1.51 -1.02 -3.00 116.25 106.69 3nhh h VAL 66 Ca 0.18 -3.06 -0.11 0.00 -1.23 0.00 0.00 66.70 62.48 3nhh h VAL 66 Cb -0.07 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 3nhh h VAL 66 CO -0.04 0.85 -0.26 -0.33 -1.23 0.00 0.00 177.57 176.56 3nhh h GLU 67 N 0.04 0.65 0.00 5.19 5.08 -0.97 -3.21 114.58 121.36 3nhh h GLU 67 Ca -0.14 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 3nhh h GLU 67 Cb 1.93 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 3nhh h GLU 67 CO 0.15 0.85 -0.06 -0.91 -1.00 0.00 0.00 179.01 178.04 3nhh h ASN 68 N 0.57 0.00 -3.54 1.42 4.21 -1.29 -3.46 115.58 113.49 3nhh h ASN 68 Ca 0.08 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.06 3nhh h ASN 68 Cb 0.74 0.00 0.08 0.00 -1.12 0.00 0.00 38.32 38.01 3nhh h ASN 68 CO 0.06 0.05 0.79 0.00 -1.29 0.00 0.00 177.43 177.04 3nhh s ALA 69 N -3.18 3.64 0.12 -0.83 0.00 -1.13 -4.92 121.76 115.45 3nhh s ALA 69 Ca 0.07 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.49 3nhh s ALA 69 Cb 0.05 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 3nhh s ALA 69 CO 0.68 -0.87 1.27 0.87 0.00 0.00 0.00 175.76 177.72 3nhh h LYS 70 N 4.36 0.17 -3.86 0.00 6.56 -1.90 -3.44 116.57 118.47 3nhh h LYS 70 Ca -0.48 -0.24 -0.45 0.00 -1.06 0.00 0.00 60.65 58.42 3nhh h LYS 70 Cb 1.22 0.08 -0.37 0.00 -0.57 0.00 0.00 32.23 32.59 3nhh h LYS 70 CO 0.74 1.05 -0.78 0.21 -2.06 0.00 0.00 179.45 178.62 3nhh s LYS 71 N -2.90 0.85 -0.14 3.15 2.20 -1.26 -5.03 119.74 116.61 3nhh s LYS 71 Ca -0.02 -0.00 -0.07 0.00 -0.36 0.00 0.00 55.97 55.52 3nhh s LYS 71 Cb 0.09 -1.10 -0.04 0.00 -1.51 0.00 0.00 37.83 35.27 3nhh s LYS 71 CO 0.84 -0.27 0.10 0.42 -0.36 0.00 0.00 175.35 176.09 3nhh s ILE 72 N 1.78 5.19 0.05 5.43 -1.09 -1.26 -0.48 121.20 130.83 3nhh s ILE 72 Ca 0.03 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.58 3nhh s ILE 72 Cb -0.13 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3nhh s ILE 72 CO -0.05 0.56 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.50 3nhh s GLU 73 N -0.55 0.68 0.05 2.79 2.02 -0.58 -2.27 118.70 120.83 3nhh s GLU 73 Ca 0.12 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.35 3nhh s GLU 73 Cb -0.12 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.51 3nhh s GLU 73 CO 0.02 0.12 -0.21 0.14 0.02 0.00 0.00 175.26 175.35 3nhh s VAL 74 N -1.29 2.56 -0.15 2.63 -7.23 0.68 -1.20 120.40 116.40 3nhh s VAL 74 Ca -0.06 -1.31 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 3nhh s VAL 74 Cb -0.10 -2.06 0.05 0.00 0.56 0.00 0.00 36.38 34.82 3nhh s VAL 74 CO 0.01 0.32 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.42 3nhh s GLU 75 N -1.46 0.89 0.45 4.82 2.12 0.20 -0.24 118.70 125.48 3nhh s GLU 75 Ca 0.14 -0.32 -0.17 0.00 0.36 0.00 0.00 54.97 54.98 3nhh s GLU 75 Cb -0.10 -1.80 -0.09 0.00 0.26 0.00 0.00 34.13 32.40 3nhh s GLU 75 CO 0.05 -0.49 0.91 -0.06 -0.54 0.00 0.00 175.26 175.12 3nhh s PHE 76 N 1.81 3.40 0.00 5.30 0.40 -1.26 -0.74 117.98 126.89 3nhh s PHE 76 Ca 0.01 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 3nhh s PHE 76 Cb -0.15 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 40.66 3nhh s PHE 76 CO -0.07 -0.19 0.00 -3.47 0.70 0.00 0.00 175.22 172.19 3nhh n ASP 77 N -1.10 0.00 0.19 1.36 -0.08 -1.26 -4.62 116.55 111.03 3nhh n ASP 77 Ca 0.06 -0.55 0.08 0.00 -1.51 0.00 0.00 54.79 52.86 3nhh n ASP 77 Cb 0.54 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.20 3nhh n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3nhh h LYS 78 N 0.00 0.00 0.00 -0.67 6.56 -1.95 -3.47 116.57 117.05 3nhh h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3nhh h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3nhh h LYS 78 CO 0.00 0.27 0.00 0.41 -2.06 0.00 0.00 179.45 178.07 3nhh n GLY 79 N 0.88 1.92 3.70 3.86 0.00 -0.42 -4.99 105.19 110.13 3nhh n GLY 79 Ca 0.02 -1.76 -0.44 0.00 0.00 0.00 0.00 46.02 43.85 3nhh n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3nhh n GLN 80 N 0.00 2.29 -0.00 1.61 7.27 -1.26 -4.91 117.38 122.37 3nhh n GLN 80 Ca 0.00 0.81 0.10 0.00 0.07 0.00 0.00 57.00 57.98 3nhh n GLN 80 Cb 0.00 -2.53 -0.13 0.00 2.41 0.00 0.00 30.24 29.99 3nhh n GLN 80 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3nhh n ARG 81 N 2.22 0.56 -4.17 3.69 1.74 -1.26 -4.79 116.66 114.64 3nhh n ARG 81 Ca 0.11 -0.08 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 3nhh n ARG 81 Cb 0.33 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 3nhh n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3nhh s THR 82 N -3.09 0.54 0.08 0.55 -4.23 -1.26 -1.18 115.64 107.05 3nhh s THR 82 Ca 0.01 -0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3nhh s THR 82 Cb 0.14 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.49 3nhh s THR 82 CO 0.82 -0.02 0.11 -0.90 -0.54 0.00 0.00 174.62 174.09 3nhh n ASP 83 N 2.44 0.12 0.05 3.99 5.68 0.40 -4.90 116.55 124.35 3nhh n ASP 83 Ca -0.16 -1.11 0.11 0.00 -0.50 0.00 0.00 54.79 53.12 3nhh n ASP 83 Cb 0.57 -0.07 0.43 0.00 -1.14 0.00 0.00 41.12 40.91 3nhh n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3nhh n LYS 84 N -1.21 0.09 -0.20 0.11 2.85 -1.26 -1.20 118.16 117.34 3nhh n LYS 84 Ca 0.02 0.25 0.11 0.00 -1.05 0.00 0.00 58.31 57.64 3nhh n LYS 84 Cb 0.06 -1.65 0.27 0.00 -0.65 0.00 0.00 35.03 33.06 3nhh n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3nhh n TYR 85 N -1.82 0.54 -1.06 5.58 4.02 -1.26 -4.93 117.16 118.22 3nhh n TYR 85 Ca 0.04 -0.27 -0.02 0.00 -0.01 0.00 0.00 57.90 57.64 3nhh n TYR 85 Cb 0.25 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.57 3nhh n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3nhh n GLY 86 N 1.40 0.53 3.73 2.72 0.00 -0.34 -5.01 105.19 108.22 3nhh n GLY 86 Ca 0.19 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3nhh n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nhh s ARG 87 N -1.23 4.65 0.45 1.61 0.52 -1.26 -4.75 118.95 118.94 3nhh s ARG 87 Ca 0.00 1.55 -0.25 0.00 -0.52 0.00 0.00 55.73 56.51 3nhh s ARG 87 Cb 0.00 -3.34 -0.08 0.00 0.52 0.00 0.00 34.95 32.05 3nhh s ARG 87 CO 0.00 0.15 1.34 0.20 0.02 0.00 0.00 175.30 177.01 3nhh s GLY 88 N 0.02 2.90 -0.20 -3.53 0.00 0.56 -0.45 107.32 106.62 3nhh s GLY 88 Ca 0.48 1.30 -0.02 0.00 0.00 0.00 0.00 44.72 46.49 3nhh s GLY 88 CO 0.31 1.87 -0.11 1.08 0.00 0.00 0.00 173.10 176.25 3nhh s LEU 89 N -2.79 2.55 0.09 0.66 1.43 -0.33 0.48 118.68 120.77 3nhh s LEU 89 Ca 0.62 -0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 52.96 3nhh s LEU 89 Cb -0.39 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.29 3nhh s LEU 89 CO 0.50 -0.00 0.72 0.00 0.23 0.00 0.00 176.35 177.80 3nhh s ALA 90 N 1.35 -1.70 0.08 4.21 0.00 -1.13 -4.56 121.76 120.01 3nhh s ALA 90 Ca 0.05 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 3nhh s ALA 90 Cb -0.14 0.66 -0.06 0.00 0.00 0.00 0.00 23.12 23.59 3nhh s ALA 90 CO -0.07 -0.72 0.76 0.71 0.00 0.00 0.00 175.76 176.44 3nhh s TYR 91 N -3.42 3.78 -0.14 0.00 2.02 0.08 -2.06 117.35 117.61 3nhh s TYR 91 Ca 0.02 1.51 -0.03 0.00 -0.37 0.00 0.00 57.07 58.21 3nhh s TYR 91 Cb -0.01 -2.80 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 3nhh s TYR 91 CO -0.11 0.34 -0.04 0.42 -1.57 0.00 0.00 175.55 174.59 3nhh s ILE 92 N -0.37 3.84 -0.07 2.71 -1.09 -1.26 -0.62 121.20 124.34 3nhh s ILE 92 Ca 0.38 -0.38 0.06 0.00 -2.23 0.00 0.00 60.65 58.47 3nhh s ILE 92 Cb -0.21 -2.66 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 3nhh s ILE 92 CO 0.24 0.51 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.90 3nhh s TYR 93 N 0.20 2.47 -0.34 3.97 2.02 -0.34 0.42 117.35 125.75 3nhh s TYR 93 Ca -0.03 -0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 55.84 3nhh s TYR 93 Cb -0.14 -1.63 0.07 0.00 -0.40 0.00 0.00 41.96 39.87 3nhh s TYR 93 CO 0.03 -0.27 0.07 0.00 -1.57 0.00 0.00 175.55 173.81 3nhh s ALA 94 N -0.03 2.93 -1.32 3.71 0.00 -0.23 -1.53 121.76 125.29 3nhh s ALA 94 Ca -0.08 -2.06 -0.05 0.00 0.00 0.00 0.00 51.96 49.77 3nhh s ALA 94 Cb -0.15 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.87 3nhh s ALA 94 CO 0.05 -1.47 0.57 -0.25 0.00 0.00 0.00 175.76 174.66 3nhh n ASP 95 N 4.59 -1.66 0.00 0.00 8.00 0.36 -1.42 116.55 126.42 3nhh n ASP 95 Ca -0.08 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3nhh n ASP 95 Cb 0.43 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 3nhh n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nhh n GLY 96 N -1.81 1.65 3.65 0.44 0.00 -1.26 -5.00 105.19 102.86 3nhh n GLY 96 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3nhh n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nhh s LYS 97 N -0.10 4.14 -0.06 1.61 1.02 -0.51 -5.02 119.74 120.83 3nhh s LYS 97 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 3nhh s LYS 97 Cb 0.00 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 3nhh s LYS 97 CO 0.00 -0.17 1.63 1.41 -0.92 0.00 0.00 175.35 177.30 3nhh s MET 98 N 1.71 4.19 0.17 1.68 -2.45 -1.26 -1.07 119.30 122.27 3nhh s MET 98 Ca 0.21 2.16 -0.10 0.00 -1.25 0.00 0.00 55.69 56.71 3nhh s MET 98 Cb -0.15 -3.96 0.04 0.00 1.25 0.00 0.00 34.83 32.00 3nhh s MET 98 CO 0.09 -0.83 1.60 0.28 1.05 0.00 0.00 175.02 177.21 3nhh h VAL 99 N 5.55 1.27 -0.65 10.11 2.07 -0.39 -2.02 116.25 132.19 3nhh h VAL 99 Ca -0.39 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.00 3nhh h VAL 99 Cb 1.17 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 3nhh h VAL 99 CO 0.95 0.44 0.26 0.78 0.02 0.00 0.00 177.57 180.02 3nhh h ASN 100 N 0.92 0.27 -0.19 0.57 4.21 -1.91 -0.94 115.58 118.51 3nhh h ASN 100 Ca 0.15 0.08 -0.20 0.00 1.21 0.00 0.00 56.30 57.54 3nhh h ASN 100 Cb 0.64 0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.91 3nhh h ASN 100 CO 0.04 0.15 -0.68 -0.08 -1.29 0.00 0.00 177.43 175.57 3nhh h GLU 101 N 0.44 0.79 -0.14 0.81 4.81 -1.88 -2.79 114.58 116.63 3nhh h GLU 101 Ca 0.33 -0.60 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 3nhh h GLU 101 Cb 0.43 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3nhh h GLU 101 CO -0.32 1.22 -0.40 0.00 -0.73 0.00 0.00 179.01 178.77 3nhh h ALA 102 N 0.58 1.06 0.08 2.92 0.00 -0.95 0.05 119.26 123.00 3nhh h ALA 102 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3nhh h ALA 102 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3nhh h ALA 102 CO 0.14 0.60 -0.04 -0.07 0.00 0.00 0.00 179.25 179.88 3nhh h LEU 103 N 0.26 -0.09 -0.22 0.00 3.38 -1.09 -2.58 115.31 114.96 3nhh h LEU 103 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3nhh h LEU 103 Cb 0.83 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3nhh h LEU 103 CO 0.07 0.02 0.14 0.58 0.09 0.00 0.00 178.44 179.33 3nhh h VAL 104 N -0.19 1.05 -0.26 1.22 2.07 -1.21 -1.02 116.25 117.91 3nhh h VAL 104 Ca -0.01 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.48 3nhh h VAL 104 Cb 0.16 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3nhh h VAL 104 CO 0.02 0.05 0.26 -0.09 0.02 0.00 0.00 177.57 177.83 3nhh h ARG 105 N 0.29 0.00 -0.30 1.57 9.65 -0.90 0.20 114.38 124.89 3nhh h ARG 105 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3nhh h ARG 105 Cb -0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3nhh h ARG 105 CO -0.02 0.00 0.00 1.04 2.80 0.00 0.00 179.97 183.79 3nhh n GLN 106 N -3.90 2.40 -1.62 0.20 1.13 -0.93 -4.14 117.38 110.52 3nhh n GLN 106 Ca 0.03 -2.11 -0.10 0.00 -1.94 0.00 0.00 57.00 52.89 3nhh n GLN 106 Cb 0.40 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.23 3nhh n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3nhh n GLY 107 N 1.45 0.73 0.64 1.08 0.00 0.72 -4.45 105.19 105.36 3nhh n GLY 107 Ca 0.18 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.75 3nhh n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nhh n LEU 108 N -1.27 2.41 -3.70 0.99 4.77 -0.43 -1.56 117.00 118.20 3nhh n LEU 108 Ca -0.11 -1.18 -0.10 0.00 -0.03 0.00 0.00 56.01 54.60 3nhh n LEU 108 Cb 0.43 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3nhh n LEU 108 CO 0.15 0.47 0.08 0.00 -1.33 0.00 0.00 177.39 176.77 3nhh s ALA 109 N -1.19 -0.71 0.15 -1.18 0.00 -1.16 -4.36 121.76 113.31 3nhh s ALA 109 Ca 0.20 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.99 3nhh s ALA 109 Cb 0.13 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3nhh s ALA 109 CO 0.19 -0.60 0.05 0.15 0.00 0.00 0.00 175.76 175.54 3nhh s LYS 110 N -3.82 2.62 0.17 0.00 1.02 -0.56 -4.39 119.74 114.78 3nhh s LYS 110 Ca 0.04 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 3nhh s LYS 110 Cb 0.03 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.75 3nhh s LYS 110 CO -0.12 0.49 1.25 0.08 -0.92 0.00 0.00 175.35 176.13 3nhh s VAL 111 N -1.64 3.48 0.10 3.17 1.01 -1.26 -0.31 120.40 124.96 3nhh s VAL 111 Ca 0.28 1.20 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 3nhh s VAL 111 Cb -0.10 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.59 3nhh s VAL 111 CO 0.20 0.17 0.78 0.00 0.00 0.00 0.00 175.10 176.25 3nhh s ALA 112 N 0.21 -1.66 -1.27 5.51 0.00 -0.51 -4.81 121.76 119.23 3nhh s ALA 112 Ca 0.56 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 3nhh s ALA 112 Cb -0.34 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 3nhh s ALA 112 CO 0.36 -0.80 0.77 0.66 0.00 0.00 0.00 175.76 176.75 3nhh n TYR 113 N -0.35 -1.99 -2.98 0.00 4.01 -1.26 -3.39 117.16 111.21 3nhh n TYR 113 Ca -0.11 0.85 -0.44 0.00 -0.16 0.00 0.00 57.90 58.05 3nhh n TYR 113 Cb 0.62 -4.52 -0.03 0.00 -0.31 0.00 0.00 39.34 35.10 3nhh n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3nhh s VAL 114 N -3.59 4.66 0.03 -0.72 1.01 -1.26 -4.35 120.40 116.18 3nhh s VAL 114 Ca 0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 3nhh s VAL 114 Cb -0.01 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 3nhh s VAL 114 CO 0.79 -1.36 0.24 -0.31 0.00 0.00 0.00 175.10 174.47 3nhh s TYR 115 N 3.03 3.54 0.29 5.22 2.02 -1.26 -5.05 117.35 125.14 3nhh s TYR 115 Ca 0.22 0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 57.06 3nhh s TYR 115 Cb -0.15 -1.90 -0.12 0.00 -0.40 0.00 0.00 41.96 39.39 3nhh s TYR 115 CO 0.02 0.60 1.45 1.17 -1.57 0.00 0.00 175.55 177.22 3nhh n LYS 116 N 0.77 2.32 -0.53 -0.62 4.81 -1.26 -1.93 118.16 121.72 3nhh n LYS 116 Ca -0.09 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3nhh n LYS 116 Cb 0.52 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.06 3nhh n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3nhh n GLY 117 N 1.78 1.80 2.55 3.14 0.00 -1.26 -4.82 105.19 108.38 3nhh n GLY 117 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3nhh n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nhh n ASN 118 N 0.00 3.49 -1.74 1.61 4.13 -0.81 -1.30 115.26 120.63 3nhh n ASN 118 Ca 0.00 -3.34 0.00 0.00 1.68 0.00 0.00 54.58 52.92 3nhh n ASN 118 Cb 0.00 -0.49 0.01 0.00 -1.54 0.00 0.00 39.78 37.77 3nhh n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3nhh n ASN 119 N -0.33 0.38 -0.17 6.41 6.94 -1.25 -4.49 115.26 122.76 3nhh n ASN 119 Ca 0.28 -2.02 0.07 0.00 -0.02 0.00 0.00 54.58 52.88 3nhh n ASN 119 Cb 0.72 -0.09 0.37 0.00 -2.36 0.00 0.00 39.78 38.42 3nhh n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3nhh h THR 120 N 5.97 1.02 -0.57 5.53 2.02 -1.93 -2.14 112.91 122.81 3nhh h THR 120 Ca -0.32 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3nhh h THR 120 Cb 1.61 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3nhh h THR 120 CO -0.01 0.13 0.00 1.41 0.37 0.00 0.00 175.52 177.42 3nhh n HIS 121 N -4.48 1.93 0.09 3.16 8.25 -1.26 -4.56 115.22 118.36 3nhh n HIS 121 Ca 0.10 -0.68 -0.13 0.00 -0.26 0.00 0.00 57.72 56.76 3nhh n HIS 121 Cb 0.23 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 3nhh n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3nhh h GLU 122 N 3.88 -0.48 -0.66 -0.41 4.81 -1.77 -1.94 114.58 118.01 3nhh h GLU 122 Ca 0.00 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3nhh h GLU 122 Cb 1.85 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 31.31 3nhh h GLU 122 CO 0.44 -0.32 0.32 1.96 -0.73 0.00 0.00 179.01 180.68 3nhh h GLN 123 N -0.50 0.95 -0.63 1.92 1.08 -1.83 0.36 115.11 116.46 3nhh h GLN 123 Ca 0.04 -0.14 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3nhh h GLN 123 Cb 0.55 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 3nhh h GLN 123 CO -0.21 0.75 0.33 1.25 -0.95 0.00 0.00 178.83 180.00 3nhh h LEU 124 N 0.91 0.47 -0.65 1.46 5.85 -1.84 -1.76 115.31 119.75 3nhh h LEU 124 Ca 0.23 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.84 3nhh h LEU 124 Cb 0.12 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3nhh h LEU 124 CO -0.03 0.30 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.72 3nhh h LEU 125 N 0.61 0.33 -0.91 2.25 3.38 -0.82 -2.71 115.31 117.44 3nhh h LEU 125 Ca 0.29 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3nhh h LEU 125 Cb 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3nhh h LEU 125 CO -0.20 0.84 -0.07 0.03 0.09 0.00 0.00 178.44 179.13 3nhh h ARG 126 N 0.22 0.73 -0.53 1.13 3.08 -0.66 -0.65 114.38 117.70 3nhh h ARG 126 Ca -0.00 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 3nhh h ARG 126 Cb 1.09 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3nhh h ARG 126 CO 0.09 0.79 0.25 -0.22 -1.07 0.00 0.00 179.97 179.82 3nhh h LYS 127 N 0.67 0.76 -0.68 0.04 1.63 -1.27 -1.28 116.57 116.44 3nhh h LYS 127 Ca 0.12 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3nhh h LYS 127 Cb 0.51 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 3nhh h LYS 127 CO 0.03 0.63 0.45 0.00 -3.45 0.00 0.00 179.45 177.10 3nhh h ALA 128 N 1.09 0.87 -0.60 5.00 0.00 -1.11 -2.17 119.26 122.34 3nhh h ALA 128 Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3nhh h ALA 128 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3nhh h ALA 128 CO -0.02 0.28 0.04 1.49 0.00 0.00 0.00 179.25 181.03 3nhh h GLU 129 N 0.91 1.04 -0.63 0.00 4.81 -0.93 -1.19 114.58 118.59 3nhh h GLU 129 Ca 0.25 -0.31 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3nhh h GLU 129 Cb -0.09 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.12 3nhh h GLU 129 CO -0.06 1.00 0.26 0.00 -0.73 0.00 0.00 179.01 179.48 3nhh h ALA 130 N 1.00 0.83 -0.23 2.92 0.00 -0.93 0.39 119.26 123.24 3nhh h ALA 130 Ca 0.18 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3nhh h ALA 130 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3nhh h ALA 130 CO 0.02 -0.15 -0.13 1.96 0.00 0.00 0.00 179.25 180.95 3nhh h GLN 131 N 0.46 0.50 -0.87 0.00 4.20 -1.04 0.15 115.11 118.51 3nhh h GLN 131 Ca 0.32 -0.23 0.05 0.00 0.06 0.00 0.00 58.65 58.84 3nhh h GLN 131 Cb 0.37 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 3nhh h GLN 131 CO -0.29 0.78 0.56 0.00 -0.67 0.00 0.00 178.83 179.20 3nhh h ALA 132 N 0.71 1.17 -0.44 3.87 0.00 -0.90 0.98 119.26 124.65 3nhh h ALA 132 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3nhh h ALA 132 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3nhh h ALA 132 CO 0.04 0.36 -0.23 -0.22 0.00 0.00 0.00 179.25 179.20 3nhh h LYS 133 N 1.05 0.91 -0.48 0.00 3.64 0.11 -1.45 116.57 120.35 3nhh h LYS 133 Ca 0.36 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3nhh h LYS 133 Cb 0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3nhh h LYS 133 CO -0.14 1.04 0.07 -0.22 -2.27 0.00 0.00 179.45 177.93 3nhh h LYS 134 N 0.78 0.74 -0.02 1.90 3.64 -0.17 -1.43 116.57 122.01 3nhh h LYS 134 Ca 0.10 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3nhh h LYS 134 Cb 0.79 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3nhh h LYS 134 CO 0.07 0.71 0.00 0.39 -2.27 0.00 0.00 179.45 178.34 3nhh n GLU 135 N -4.26 1.23 -2.85 1.90 1.02 0.29 -4.91 120.64 113.06 3nhh n GLU 135 Ca 0.03 -0.33 -0.21 0.00 -0.02 0.00 0.00 57.16 56.63 3nhh n GLU 135 Cb 0.25 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 3nhh n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3nhh n LYS 136 N -0.55 -3.50 -2.42 3.49 4.76 -0.54 -4.89 118.16 114.52 3nhh n LYS 136 Ca 0.20 0.81 -0.42 0.00 -2.87 0.00 0.00 58.31 56.03 3nhh n LYS 136 Cb 0.18 -5.57 -0.03 0.00 -1.84 0.00 0.00 35.03 27.77 3nhh n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3nhh s LEU 137 N -6.34 4.39 0.00 -0.35 1.43 -0.64 -2.89 118.68 114.28 3nhh s LEU 137 Ca 0.20 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 3nhh s LEU 137 Cb -0.10 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3nhh s LEU 137 CO 0.25 -0.45 0.00 0.59 0.23 0.00 0.00 176.35 176.98 3nhh n ASN 138 N 3.64 0.00 -0.30 2.29 3.02 -1.26 -0.33 115.26 122.32 3nhh n ASN 138 Ca 0.08 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.87 3nhh n ASN 138 Cb 0.46 0.00 0.55 0.00 -0.61 0.00 0.00 39.78 40.18 3nhh n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3nhh h ILE 139 N 0.00 0.53 -0.34 2.41 2.04 -1.59 0.19 117.51 120.75 3nhh h ILE 139 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3nhh h ILE 139 Cb 0.00 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3nhh h ILE 139 CO 0.00 0.06 0.00 0.79 0.00 0.00 0.00 178.15 179.00 3nhh n TRP 140 N -4.54 0.46 1.55 1.37 7.02 0.56 -5.13 117.44 118.73 3nhh n TRP 140 Ca 0.24 -0.23 0.14 0.00 -1.02 0.00 0.00 57.50 56.64 3nhh n TRP 140 Cb 0.90 -0.01 0.57 0.00 -2.42 0.00 0.00 31.31 30.35 3nhh n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54