#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2c s ALA 2 N 0.00 3.50 -0.97 3.04 0.00 -1.26 -5.02 121.76 121.05 2k2c s ALA 2 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 2k2c s ALA 2 Cb 0.00 -3.17 0.20 0.00 0.00 0.00 0.00 23.12 20.15 2k2c s ALA 2 CO 0.00 -1.19 1.03 0.00 0.00 0.00 0.00 175.76 175.60 2k2c s ALA 3 N 2.72 4.04 -0.85 0.00 0.00 -1.26 -5.01 121.76 121.41 2k2c s ALA 3 Ca 0.27 -3.30 -0.25 0.00 0.00 0.00 0.00 51.96 48.67 2k2c s ALA 3 Cb -0.15 -3.75 0.02 0.00 0.00 0.00 0.00 23.12 19.24 2k2c s ALA 3 CO 0.13 -2.51 1.51 0.99 0.00 0.00 0.00 175.76 175.88 2k2c s THR 4 N 0.69 3.70 -0.30 0.00 2.01 -1.26 -4.99 115.64 115.50 2k2c s THR 4 Ca 0.28 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.88 2k2c s THR 4 Cb -0.08 -4.71 0.01 0.00 0.01 0.00 0.00 72.50 67.73 2k2c s THR 4 CO -0.08 -1.63 0.88 0.00 -0.69 0.00 0.00 174.62 173.11 2k2c s ALA 5 N 6.53 3.54 -1.08 7.40 0.00 -1.26 -4.99 121.76 131.89 2k2c s ALA 5 Ca 0.48 -0.27 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 2k2c s ALA 5 Cb -0.06 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2k2c s ALA 5 CO 0.05 -1.25 1.60 1.03 0.00 0.00 0.00 175.76 177.19 2k2c s ARG 6 N 3.14 3.53 0.00 0.00 3.00 -1.26 -4.62 118.95 122.74 2k2c s ARG 6 Ca 0.37 -1.25 0.03 0.00 0.00 0.00 0.00 55.73 54.88 2k2c s ARG 6 Cb -0.14 -5.37 0.09 0.00 0.00 0.00 0.00 34.95 29.53 2k2c s ARG 6 CO 0.12 -2.43 1.05 -0.85 0.00 0.00 0.00 175.30 173.20 2k2c n GLU 7 N 8.74 2.76 -1.91 3.54 0.28 -1.26 -5.07 120.64 127.72 2k2c n GLU 7 Ca 0.38 -1.61 -0.29 0.00 -0.16 0.00 0.00 57.16 55.48 2k2c n GLU 7 Cb 0.49 -1.08 0.06 0.00 1.43 0.00 0.00 31.44 32.34 2k2c n GLU 7 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2k2c s ASP 8 N -0.96 5.05 -0.05 -1.84 -4.77 -1.26 -5.11 116.67 107.73 2k2c s ASP 8 Ca 0.07 0.96 -0.29 0.00 -3.30 0.00 0.00 52.55 49.99 2k2c s ASP 8 Cb 0.04 -1.63 0.10 0.00 -1.09 0.00 0.00 42.92 40.34 2k2c s ASP 8 CO 0.05 -1.58 0.88 -0.83 0.70 0.00 0.00 175.17 174.39 2k2c s GLY 9 N -4.45 -0.43 -1.08 2.12 0.00 -1.26 -5.10 107.32 97.12 2k2c s GLY 9 Ca 0.60 1.33 -0.22 0.00 0.00 0.00 0.00 44.72 46.43 2k2c s GLY 9 CO 0.50 0.61 1.51 0.00 0.00 0.00 0.00 173.10 175.72 2k2c s ALA 10 N -2.31 2.86 -0.21 3.20 0.00 -1.26 -4.90 121.76 119.14 2k2c s ALA 10 Ca 0.01 -2.42 -0.05 0.00 0.00 0.00 0.00 51.96 49.50 2k2c s ALA 10 Cb -0.01 -4.55 0.07 0.00 0.00 0.00 0.00 23.12 18.64 2k2c s ALA 10 CO -0.04 -3.53 0.10 0.99 0.00 0.00 0.00 175.76 173.28 2k2c s THR 11 N 4.76 -0.06 -0.29 0.00 2.01 -1.26 -5.12 115.64 115.68 2k2c s THR 11 Ca 0.48 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 2k2c s THR 11 Cb 0.01 -0.74 0.15 0.00 0.01 0.00 0.00 72.50 71.93 2k2c s THR 11 CO -0.06 -0.44 0.99 -0.83 -0.69 0.00 0.00 174.62 173.59 2k2c s GLY 12 N 2.11 -0.03 -0.12 4.40 0.00 -1.26 -5.17 107.32 107.25 2k2c s GLY 12 Ca 0.04 3.14 0.01 0.00 0.00 0.00 0.00 44.72 47.92 2k2c s GLY 12 CO -0.19 2.81 -0.17 -0.54 0.00 0.00 0.00 173.10 175.01 2k2c s GLU 13 N 1.69 3.26 -0.82 2.90 2.02 -1.26 -5.07 118.70 121.42 2k2c s GLU 13 Ca -0.07 -0.75 -0.25 0.00 0.02 0.00 0.00 54.97 53.91 2k2c s GLU 13 Cb -0.04 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.66 2k2c s GLU 13 CO -0.15 0.18 1.60 -1.21 0.02 0.00 0.00 175.26 175.69 2k2c s GLU 14 N 0.41 3.03 -0.62 1.61 2.02 -1.26 -4.94 118.70 118.96 2k2c s GLU 14 Ca -0.13 -0.28 -0.26 0.00 0.02 0.00 0.00 54.97 54.33 2k2c s GLU 14 Cb -0.16 -4.72 -0.06 0.00 0.10 0.00 0.00 34.13 29.29 2k2c s GLU 14 CO 0.06 -2.55 2.20 0.50 0.02 0.00 0.00 175.26 175.48 2k2c s ARG 15 N 6.11 2.22 0.00 1.61 6.06 -1.26 -4.61 118.95 129.08 2k2c s ARG 15 Ca 0.53 0.85 0.00 0.00 -2.50 0.00 0.00 55.73 54.60 2k2c s ARG 15 Cb -0.07 -4.61 0.00 0.00 0.06 0.00 0.00 34.95 30.34 2k2c s ARG 15 CO 0.07 -3.31 0.00 0.41 -2.50 0.00 0.00 175.30 169.97 2k2c n GLY 16 N 6.13 4.01 0.16 8.12 0.00 -1.26 -1.61 105.19 120.73 2k2c n GLY 16 Ca 0.34 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 2k2c n GLY 16 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k2c h GLN 17 N 0.00 -0.30 -3.25 1.61 4.20 -2.00 -3.37 115.11 112.00 2k2c h GLN 17 Ca 0.00 0.02 -0.63 0.00 0.06 0.00 0.00 58.65 58.10 2k2c h GLN 17 Cb 0.00 0.07 -0.41 0.00 0.30 0.00 0.00 27.48 27.44 2k2c h GLN 17 CO 0.00 0.04 -0.63 -0.98 -0.67 0.00 0.00 178.83 176.58 2k2c s ARG 18 N -4.62 2.00 0.00 1.46 3.03 -1.26 -5.00 118.95 114.56 2k2c s ARG 18 Ca -0.14 -2.72 0.00 0.00 2.03 0.00 0.00 55.73 54.90 2k2c s ARG 18 Cb 0.02 -3.20 0.00 0.00 -1.03 0.00 0.00 34.95 30.74 2k2c s ARG 18 CO 0.57 -1.16 0.00 0.41 -1.13 0.00 0.00 175.30 173.99 2k2c n GLY 19 N 2.88 -0.19 3.61 3.88 0.00 -1.14 -3.76 105.19 110.47 2k2c n GLY 19 Ca 0.09 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 2k2c n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c h GLU 21 N 4.67 0.00 0.08 0.00 9.09 -1.65 -0.98 114.58 125.79 2k2c h GLU 21 Ca -0.29 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.12 2k2c h GLU 21 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2k2c h GLU 21 CO 0.10 0.00 -0.04 0.45 0.05 0.00 0.00 179.01 179.58 2k2c h HIS 22 N 0.00 -0.10 -3.30 2.06 3.86 -1.97 -3.45 115.15 112.25 2k2c h HIS 22 Ca 0.02 -0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.85 2k2c h HIS 22 Cb 0.50 0.03 -0.39 0.00 1.06 0.00 0.00 27.41 28.62 2k2c h HIS 22 CO 0.00 0.32 -0.75 0.71 0.86 0.00 0.00 177.93 179.07 2k2c s TYR 23 N -4.38 0.23 -0.85 2.45 1.51 -0.37 -5.07 117.35 110.86 2k2c s TYR 23 Ca -0.15 0.14 -0.24 0.00 -1.01 0.00 0.00 57.07 55.81 2k2c s TYR 23 Cb 0.02 -0.56 0.06 0.00 -0.11 0.00 0.00 41.96 41.36 2k2c s TYR 23 CO 0.63 -0.23 1.26 0.34 -1.11 0.00 0.00 175.55 176.44 2k2c s ASP 24 N 2.08 6.35 -0.04 2.29 2.15 -1.24 -2.94 116.67 125.31 2k2c s ASP 24 Ca 0.05 -1.11 -0.10 0.00 0.43 0.00 0.00 52.55 51.81 2k2c s ASP 24 Cb -0.12 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.00 2k2c s ASP 24 CO -0.04 -1.55 0.23 0.00 -0.17 0.00 0.00 175.17 173.65 2k2c s ARG 25 N 4.75 0.44 -0.10 4.34 3.03 -1.26 -4.24 118.95 125.92 2k2c s ARG 25 Ca 0.36 -0.01 -0.00 0.00 2.03 0.00 0.00 55.73 58.11 2k2c s ARG 25 Cb -0.06 0.20 0.08 0.00 -1.03 0.00 0.00 34.95 34.13 2k2c s ARG 25 CO 0.02 -0.10 1.78 0.41 -1.13 0.00 0.00 175.30 176.28 2k2c n GLY 26 N 2.09 2.87 3.18 3.88 0.00 -1.25 -2.88 105.19 113.08 2k2c n GLY 26 Ca -0.18 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2k2c n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c s LEU 28 N -2.18 2.89 -0.25 0.00 1.43 -0.04 -4.34 118.68 116.18 2k2c s LEU 28 Ca -0.04 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 2k2c s LEU 28 Cb -0.00 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2k2c s LEU 28 CO -0.05 0.18 2.02 -0.76 0.23 0.00 0.00 176.35 177.97 2k2c s LEU 29 N 0.25 3.51 -0.52 1.79 1.02 0.32 -1.38 118.68 123.68 2k2c s LEU 29 Ca -0.07 1.67 -0.28 0.00 0.02 0.00 0.00 54.13 55.47 2k2c s LEU 29 Cb -0.15 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.55 2k2c s LEU 29 CO 0.05 -1.80 1.53 -0.75 0.02 0.00 0.00 176.35 175.39 2k2c s LYS 30 N 5.94 3.24 -0.59 1.70 2.20 -0.99 -2.78 119.74 128.46 2k2c s LYS 30 Ca 0.91 0.65 -0.19 0.00 -0.36 0.00 0.00 55.97 56.98 2k2c s LYS 30 Cb -0.29 -4.16 0.10 0.00 -1.51 0.00 0.00 37.83 31.97 2k2c s LYS 30 CO 0.34 -2.00 0.71 0.00 -0.36 0.00 0.00 175.35 174.05 2k2c s ALA 31 N 6.54 3.40 -1.40 3.13 0.00 -0.52 -4.19 121.76 128.71 2k2c s ALA 31 Ca 0.59 -2.18 0.17 0.00 0.00 0.00 0.00 51.96 50.54 2k2c s ALA 31 Cb -0.13 -3.54 0.85 0.00 0.00 0.00 0.00 23.12 20.30 2k2c s ALA 31 CO 0.26 -2.36 1.50 -0.35 0.00 0.00 0.00 175.76 174.82 2k2c n PRO 32 N 6.40 0.22 0.28 0.00 -0.04 -1.26 0.35 135.00 140.95 2k2c n PRO 32 Ca -0.09 0.13 0.16 0.00 -0.04 0.00 0.00 63.50 63.66 2k2c n PRO 32 Cb 0.43 -1.50 0.76 0.00 -0.04 0.00 0.00 33.50 33.15 2k2c n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2c n ASP 35 N 0.00 -5.52 -4.85 0.00 8.00 0.16 -4.99 116.55 109.34 2k2c n ASP 35 Ca 0.00 0.32 -0.30 0.00 0.71 0.00 0.00 54.79 55.52 2k2c n ASP 35 Cb 0.45 -4.78 -0.05 0.00 -0.02 0.00 0.00 41.12 36.73 2k2c n ASP 35 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k2c s LYS 36 N -4.21 3.17 -0.24 -1.24 1.02 -1.02 -4.81 119.74 112.41 2k2c s LYS 36 Ca 0.00 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 2k2c s LYS 36 Cb 0.00 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2k2c s LYS 36 CO 0.00 0.57 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.46 2k2c s LEU 37 N -2.58 3.12 -0.05 3.17 2.01 -1.26 -1.44 118.68 121.65 2k2c s LEU 37 Ca 0.32 -0.60 -0.02 0.00 0.01 0.00 0.00 54.13 53.85 2k2c s LEU 37 Cb -0.12 -1.73 0.04 0.00 0.01 0.00 0.00 46.19 44.38 2k2c s LEU 37 CO 0.25 -0.08 0.11 -0.31 1.01 0.00 0.00 176.35 177.33 2k2c s TYR 38 N 1.43 -0.09 0.36 0.29 1.51 -1.12 -4.90 117.35 114.83 2k2c s TYR 38 Ca 0.04 0.37 0.10 0.00 -1.01 0.00 0.00 57.07 56.57 2k2c s TYR 38 Cb -0.15 -0.17 0.86 0.00 -0.11 0.00 0.00 41.96 42.39 2k2c s TYR 38 CO -0.03 -0.15 1.87 1.15 -1.11 0.00 0.00 175.55 177.27 2k2c h THR 39 N 6.18 0.81 -4.06 -0.71 2.02 -1.89 0.94 112.91 116.21 2k2c h THR 39 Ca -0.40 -0.22 -0.69 0.00 0.77 0.00 0.00 66.41 65.87 2k2c h THR 39 Cb 1.13 0.11 -0.25 0.00 -1.74 0.00 0.00 68.15 67.40 2k2c h THR 39 CO 0.41 0.12 -0.79 0.00 0.37 0.00 0.00 175.52 175.62 2k2c h ARG 41 N 5.49 0.39 0.00 0.00 0.11 -1.95 -2.49 114.38 115.93 2k2c h ARG 41 Ca -0.44 -0.02 -0.15 0.00 0.10 0.00 0.00 59.98 59.47 2k2c h ARG 41 Cb 1.15 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 2k2c h ARG 41 CO 0.50 0.26 -0.77 1.37 0.10 0.00 0.00 179.97 181.43 2k2c h LEU 42 N 0.40 0.00 -0.87 0.08 8.10 -1.95 -2.54 115.31 118.54 2k2c h LEU 42 Ca 0.11 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.99 2k2c h LEU 42 Cb -0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.17 2k2c h LEU 42 CO -0.02 0.68 -0.44 0.00 -4.11 0.00 0.00 178.44 174.54 2k2c h HIS 44 N 0.22 -0.51 -0.85 0.00 -0.00 -1.45 -3.05 115.15 109.50 2k2c h HIS 44 Ca 0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.41 2k2c h HIS 44 Cb 0.87 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 28.41 2k2c h HIS 44 CO 0.02 -0.24 0.56 0.22 -0.00 0.00 0.00 177.93 178.49 2k2c h ASP 45 N -0.71 0.92 1.40 3.26 3.58 -1.29 -1.19 116.42 122.39 2k2c h ASP 45 Ca -0.06 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 2k2c h ASP 45 Cb 0.50 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2k2c h ASP 45 CO 0.09 0.63 -0.34 -1.13 -2.88 0.00 0.00 179.24 175.61 2k2c h ASN 46 N 1.06 0.00 0.59 2.28 -1.24 -1.21 -3.21 115.58 113.85 2k2c h ASN 46 Ca 0.33 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 57.10 2k2c h ASN 46 Cb 0.01 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.02 2k2c h ASN 46 CO -0.10 0.34 -1.58 0.78 -1.29 0.00 0.00 177.43 175.59 2k2c h ASN 47 N 0.00 0.00 -1.00 1.15 -0.26 -1.31 -3.49 115.58 110.68 2k2c h ASN 47 Ca -0.00 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.16 2k2c h ASN 47 Cb 1.13 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.32 2k2c h ASN 47 CO 0.04 0.84 -0.41 -1.61 -1.06 0.00 0.00 177.43 175.24 2k2c s GLU 48 N -2.72 2.27 0.13 0.81 2.02 -0.50 -5.06 118.70 115.65 2k2c s GLU 48 Ca -0.04 -1.96 0.13 0.00 0.02 0.00 0.00 54.97 53.13 2k2c s GLU 48 Cb 0.08 -2.01 -0.11 0.00 0.10 0.00 0.00 34.13 32.19 2k2c s GLU 48 CO 0.82 -0.36 1.11 0.22 0.02 0.00 0.00 175.26 177.06 2k2c h ASP 49 N 1.10 0.00 -2.14 -0.19 3.58 -1.88 -3.46 116.42 113.43 2k2c h ASP 49 Ca -0.40 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.50 2k2c h ASP 49 Cb 1.28 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.25 2k2c h ASP 49 CO 0.64 0.73 -0.61 -1.38 -2.88 0.00 0.00 179.24 175.74 2k2c s HIS 50 N -2.83 2.75 0.20 0.28 -3.43 -1.26 -5.12 115.29 105.89 2k2c s HIS 50 Ca -0.00 -0.24 -0.15 0.00 -0.80 0.00 0.00 55.06 53.88 2k2c s HIS 50 Cb 0.09 -1.31 -0.08 0.00 -1.43 0.00 0.00 32.58 29.85 2k2c s HIS 50 CO 0.80 0.56 0.61 1.14 -2.00 0.00 0.00 174.74 175.84 2k2c s GLN 51 N -3.73 4.01 -0.22 -0.38 -2.07 -1.26 -4.40 119.66 111.61 2k2c s GLN 51 Ca 0.33 0.56 -0.28 0.00 -1.82 0.00 0.00 55.36 54.15 2k2c s GLN 51 Cb -0.06 -2.80 0.00 0.00 -1.09 0.00 0.00 33.01 29.06 2k2c s GLN 51 CO 0.21 0.39 0.97 -1.17 -1.32 0.00 0.00 175.29 174.37 2k2c s LEU 52 N -2.25 4.11 -0.17 2.60 0.20 -1.26 -5.01 118.68 116.90 2k2c s LEU 52 Ca 0.43 1.29 -0.19 0.00 0.69 0.00 0.00 54.13 56.34 2k2c s LEU 52 Cb -0.14 -3.43 -0.03 0.00 -0.43 0.00 0.00 46.19 42.16 2k2c s LEU 52 CO 0.20 -0.60 0.53 -0.62 -0.29 0.00 0.00 176.35 175.57 2k2c s ASP 53 N 1.23 6.64 0.00 3.68 2.15 -1.26 -4.97 116.67 124.13 2k2c s ASP 53 Ca 0.41 0.76 0.24 0.00 0.43 0.00 0.00 52.55 54.40 2k2c s ASP 53 Cb -0.15 -2.31 1.35 0.00 -0.30 0.00 0.00 42.92 41.51 2k2c s ASP 53 CO 0.07 -0.14 1.81 -2.11 -0.17 0.00 0.00 175.17 174.63 2k2c n ARG 54 N 4.49 0.58 -0.06 4.34 0.00 -1.26 -2.33 116.66 122.42 2k2c n ARG 54 Ca -0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 57.85 57.82 2k2c n ARG 54 Cb 0.51 -1.50 -0.15 0.00 -0.00 0.00 0.00 32.46 31.31 2k2c n ARG 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2k2c n PHE 55 N -1.12 0.00 0.09 2.89 3.72 -1.26 -4.39 117.46 117.38 2k2c n PHE 55 Ca 0.15 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.51 2k2c n PHE 55 Cb 0.13 -0.74 0.14 0.00 -0.94 0.00 0.00 39.48 38.07 2k2c n PHE 55 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2k2c h LYS 56 N 0.00 0.20 -6.20 -1.08 1.79 -1.88 -3.43 116.57 105.97 2k2c h LYS 56 Ca -0.31 -0.13 -0.58 0.00 -2.18 0.00 0.00 60.65 57.45 2k2c h LYS 56 Cb 1.67 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.32 2k2c h LYS 56 CO 0.02 0.73 1.33 0.14 -1.08 0.00 0.00 179.45 180.58 2k2c s VAL 57 N -3.78 3.37 -0.13 0.50 -7.23 -1.18 -4.68 120.40 107.27 2k2c s VAL 57 Ca -0.04 0.37 -0.28 0.00 -1.81 0.00 0.00 61.98 60.23 2k2c s VAL 57 Cb 0.12 -3.52 -0.25 0.00 0.56 0.00 0.00 36.38 33.29 2k2c s VAL 57 CO 0.79 -0.34 0.78 0.50 -0.31 0.00 0.00 175.10 176.52 2k2c h LYS 58 N 13.45 -0.00 0.00 4.82 1.63 -1.84 -3.49 116.57 131.14 2k2c h LYS 58 Ca -0.35 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.07 2k2c h LYS 58 Cb 1.18 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.75 2k2c h LYS 58 CO 1.02 0.95 -0.26 0.39 -3.45 0.00 0.00 179.45 178.10 2k2c n GLU 59 N -4.63 1.21 -4.21 1.90 1.02 -1.26 -3.04 120.64 111.63 2k2c n GLU 59 Ca -0.10 -2.18 -0.16 0.00 -0.02 0.00 0.00 57.16 54.71 2k2c n GLU 59 Cb 0.46 0.51 -0.08 0.00 -0.02 0.00 0.00 31.44 32.31 2k2c n GLU 59 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2k2c s VAL 60 N -1.99 0.00 -0.01 2.62 -7.23 -0.62 -2.34 120.40 110.82 2k2c s VAL 60 Ca 0.04 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2k2c s VAL 60 Cb -0.00 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 2k2c s VAL 60 CO 0.02 0.00 -0.18 0.00 -0.31 0.00 0.00 175.10 174.64 2k2c s GLN 61 N -3.59 1.41 -0.39 4.82 1.03 -0.48 -2.47 119.66 119.98 2k2c s GLN 61 Ca 0.37 -0.64 -0.28 0.00 0.04 0.00 0.00 55.36 54.85 2k2c s GLN 61 Cb 0.03 -1.37 0.02 0.00 0.03 0.00 0.00 33.01 31.72 2k2c s GLN 61 CO 0.21 0.37 1.06 0.00 -2.54 0.00 0.00 175.29 174.40 2k2c h ILE 63 N 5.93 1.17 -1.00 0.00 2.04 -1.55 0.40 117.51 124.50 2k2c h ILE 63 Ca -0.22 -0.73 -0.74 0.00 1.00 0.00 0.00 64.86 64.17 2k2c h ILE 63 Cb 1.06 1.19 -0.11 0.00 -0.74 0.00 0.00 36.82 38.22 2k2c h ILE 63 CO 1.06 0.23 2.50 -3.20 0.00 0.00 0.00 178.15 178.73 2k2c n ASN 64 N -4.29 6.54 0.00 1.72 5.15 -1.26 -3.53 115.26 119.59 2k2c n ASN 64 Ca -0.01 -3.03 0.00 0.00 -0.60 0.00 0.00 54.58 50.94 2k2c n ASN 64 Cb 0.25 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.04 2k2c n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2c n GLU 66 N 0.00 -0.90 -3.11 0.00 1.02 0.14 -4.99 120.64 112.80 2k2c n GLU 66 Ca 0.00 0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 57.43 2k2c n GLU 66 Cb 0.00 -4.58 -0.06 0.00 -0.02 0.00 0.00 31.44 26.78 2k2c n GLU 66 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2k2c s LYS 67 N -2.26 4.35 -0.09 3.49 2.20 -1.20 -4.80 119.74 121.42 2k2c s LYS 67 Ca 0.00 0.93 -0.25 0.00 -0.36 0.00 0.00 55.97 56.29 2k2c s LYS 67 Cb 0.00 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 2k2c s LYS 67 CO 0.00 0.53 0.80 0.42 -0.36 0.00 0.00 175.35 176.74 2k2c s ILE 68 N -1.27 4.95 0.21 5.43 -1.09 -1.26 -1.26 121.20 126.92 2k2c s ILE 68 Ca 0.36 1.62 -0.06 0.00 -2.23 0.00 0.00 60.65 60.34 2k2c s ILE 68 Cb -0.20 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 2k2c s ILE 68 CO 0.22 0.15 0.27 0.00 -1.23 0.00 0.00 174.94 174.35 2k2c s GLN 69 N 1.34 1.31 0.79 2.79 0.00 -1.03 -5.01 119.66 119.85 2k2c s GLN 69 Ca 0.40 -1.45 -0.12 0.00 -0.00 0.00 0.00 55.36 54.19 2k2c s GLN 69 Cb -0.18 0.35 0.07 0.00 0.00 0.00 0.00 33.01 33.25 2k2c s GLN 69 CO 0.18 -0.48 1.14 -3.38 0.00 0.00 0.00 175.29 172.75 2k2c s HIS 70 N -4.09 2.13 -0.38 9.60 -3.43 -1.26 -1.59 115.29 116.27 2k2c s HIS 70 Ca 0.31 1.64 -0.27 0.00 -0.80 0.00 0.00 55.06 55.94 2k2c s HIS 70 Cb 0.04 -3.27 -0.04 0.00 -1.43 0.00 0.00 32.58 27.87 2k2c s HIS 70 CO 0.10 -2.32 2.12 0.00 -2.00 0.00 0.00 174.74 172.64 2k2c s ALA 71 N -2.50 2.37 0.12 -1.38 0.00 -1.17 -4.42 121.76 114.77 2k2c s ALA 71 Ca 0.67 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2k2c s ALA 71 Cb -0.23 -4.17 -0.01 0.00 0.00 0.00 0.00 23.12 18.71 2k2c s ALA 71 CO 0.52 -3.39 0.10 0.00 0.00 0.00 0.00 175.76 172.98 2k2c n GLN 72 N 8.82 0.15 -0.10 0.00 10.64 -1.26 -4.97 117.38 130.65 2k2c n GLN 72 Ca 0.29 -1.18 -0.13 0.00 -1.83 0.00 0.00 57.00 54.15 2k2c n GLN 72 Cb 0.49 0.97 -0.14 0.00 -0.86 0.00 0.00 30.24 30.70 2k2c n GLN 72 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2k2c n GLN 73 N -0.22 0.67 -3.98 2.61 7.27 -1.26 -4.80 117.38 117.66 2k2c n GLN 73 Ca 0.03 0.08 -0.28 0.00 0.07 0.00 0.00 57.00 56.90 2k2c n GLN 73 Cb 0.21 -1.55 -0.17 0.00 2.41 0.00 0.00 30.24 31.15 2k2c n GLN 73 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k2c s THR 74 N -2.51 1.26 -0.37 1.69 2.01 -1.26 -0.60 115.64 115.86 2k2c s THR 74 Ca -0.19 -0.44 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 2k2c s THR 74 Cb 0.07 -1.23 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 2k2c s THR 74 CO 0.74 0.41 2.32 0.00 -0.69 0.00 0.00 174.62 177.40 2k2c h GLU 76 N 17.55 0.00 0.07 0.00 -0.00 -1.97 0.35 114.58 130.58 2k2c h GLU 76 Ca -0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 58.91 2k2c h GLU 76 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.02 2k2c h GLU 76 CO 1.07 0.00 -0.58 1.49 -0.00 0.00 0.00 179.01 180.99 2k2c h GLU 77 N 0.00 0.27 0.00 1.06 4.57 -2.00 -3.42 114.58 115.06 2k2c h GLU 77 Ca 0.55 -0.38 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 2k2c h GLU 77 Cb 2.62 0.13 -0.20 0.00 -0.16 0.00 0.00 28.75 31.14 2k2c h GLU 77 CO -0.01 1.13 -0.67 0.00 -1.18 0.00 0.00 179.01 178.28 2k2c n SER 79 N 0.23 -4.71 -4.65 0.00 7.64 0.12 -4.92 113.62 107.33 2k2c n SER 79 Ca -0.01 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 2k2c n SER 79 Cb 0.89 -3.98 -0.02 0.00 -1.01 0.00 0.00 64.21 60.08 2k2c n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k2c s THR 80 N -2.76 4.07 -0.22 0.44 2.01 -1.25 -4.73 115.64 113.20 2k2c s THR 80 Ca 0.00 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 2k2c s THR 80 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2k2c s THR 80 CO 0.00 -0.26 1.34 -0.22 -0.69 0.00 0.00 174.62 174.79 2k2c s LEU 81 N 4.09 4.03 -0.07 4.42 2.96 -1.26 -1.79 118.68 131.07 2k2c s LEU 81 Ca 0.60 1.51 0.06 0.00 -0.22 0.00 0.00 54.13 56.08 2k2c s LEU 81 Cb -0.22 -3.54 0.30 0.00 0.50 0.00 0.00 46.19 43.23 2k2c s LEU 81 CO 0.21 -0.96 1.04 0.49 -1.32 0.00 0.00 176.35 175.81 2k2c n PHE 82 N 7.28 0.69 0.00 5.38 3.72 0.23 -3.81 117.46 130.94 2k2c n PHE 82 Ca 0.15 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2k2c n PHE 82 Cb 0.45 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2k2c n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k2c n GLY 83 N 0.44 4.72 0.09 1.37 0.00 -1.26 -4.22 105.19 106.33 2k2c n GLY 83 Ca 0.10 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 2k2c n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2c h GLU 84 N 0.00 -0.12 -6.61 1.61 5.08 -1.62 -3.43 114.58 109.50 2k2c h GLU 84 Ca 0.00 0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 2k2c h GLU 84 Cb 0.00 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2k2c h GLU 84 CO 0.00 0.01 0.05 -0.47 -1.00 0.00 0.00 179.01 177.60 2k2c s TYR 85 N -5.78 3.47 0.06 4.33 5.04 -0.34 -4.84 117.35 119.29 2k2c s TYR 85 Ca -0.14 1.19 0.05 0.00 -2.44 0.00 0.00 57.07 55.73 2k2c s TYR 85 Cb 0.05 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.84 2k2c s TYR 85 CO 0.65 0.21 -0.14 1.52 -1.34 0.00 0.00 175.55 176.45 2k2c s TYR 86 N -1.80 1.17 -0.30 4.97 1.13 -1.26 -2.98 117.35 118.28 2k2c s TYR 86 Ca 0.49 -0.42 -0.11 0.00 -1.41 0.00 0.00 57.07 55.62 2k2c s TYR 86 Cb -0.12 -0.67 0.17 0.00 -1.10 0.00 0.00 41.96 40.24 2k2c s TYR 86 CO 0.19 0.04 0.91 0.00 -2.51 0.00 0.00 175.55 174.18 2k2c h ASP 88 N 7.85 -0.25 -0.64 0.00 3.58 -1.93 -2.57 116.42 122.47 2k2c h ASP 88 Ca -0.17 -0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.08 2k2c h ASP 88 Cb 1.15 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.21 2k2c h ASP 88 CO 0.05 0.16 0.36 0.40 -2.88 0.00 0.00 179.24 177.33 2k2c h ILE 89 N -0.70 1.00 0.00 2.25 2.04 -1.96 -1.74 117.51 118.40 2k2c h ILE 89 Ca -0.03 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2k2c h ILE 89 Cb 0.48 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2k2c h ILE 89 CO 0.05 0.13 -0.25 0.00 0.00 0.00 0.00 178.15 178.08 2k2c n HIS 91 N -3.25 -2.19 -3.73 0.00 8.25 -0.66 -4.85 115.22 108.79 2k2c n HIS 91 Ca 0.02 0.91 -0.16 0.00 -0.26 0.00 0.00 57.72 58.22 2k2c n HIS 91 Cb 0.54 -4.66 -0.16 0.00 1.12 0.00 0.00 29.99 26.83 2k2c n HIS 91 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2k2c s LEU 92 N -6.74 0.67 -0.19 2.41 0.05 -1.22 -5.04 118.68 108.62 2k2c s LEU 92 Ca 0.17 0.14 -0.03 0.00 0.05 0.00 0.00 54.13 54.47 2k2c s LEU 92 Cb -0.08 0.06 0.06 0.00 -2.05 0.00 0.00 46.19 44.18 2k2c s LEU 92 CO 0.78 -0.17 0.03 -0.36 -0.55 0.00 0.00 176.35 176.07 2k2c s PHE 93 N 1.46 1.09 0.29 3.48 0.08 -1.26 -3.41 117.98 119.71 2k2c s PHE 93 Ca -0.05 -0.88 0.04 0.00 0.12 0.00 0.00 56.93 56.16 2k2c s PHE 93 Cb -0.12 -1.05 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 2k2c s PHE 93 CO -0.04 -0.61 0.30 -0.40 -0.10 0.00 0.00 175.22 174.37 2k2c n ASP 94 N 5.03 -0.79 -4.69 1.36 5.75 -1.16 -4.17 116.55 117.88 2k2c n ASP 94 Ca -0.09 -2.81 -0.42 0.00 -0.01 0.00 0.00 54.79 51.46 2k2c n ASP 94 Cb 0.47 1.68 -0.03 0.00 -1.03 0.00 0.00 41.12 42.21 2k2c n ASP 94 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2k2c s LYS 95 N -3.02 4.16 -0.45 0.11 1.02 -1.26 -1.19 119.74 119.11 2k2c s LYS 95 Ca 0.32 2.50 -0.29 0.00 0.02 0.00 0.00 55.97 58.51 2k2c s LYS 95 Cb 0.01 -3.68 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 2k2c s LYS 95 CO 0.22 -0.82 1.19 0.34 -0.92 0.00 0.00 175.35 175.36 2k2c s ASP 96 N 2.85 6.60 -0.64 2.83 2.15 -1.26 -4.80 116.67 124.41 2k2c s ASP 96 Ca 0.79 0.60 0.05 0.00 0.43 0.00 0.00 52.55 54.42 2k2c s ASP 96 Cb -0.43 -2.55 0.20 0.00 -0.30 0.00 0.00 42.92 39.85 2k2c s ASP 96 CO 0.35 -1.25 0.58 0.29 -0.17 0.00 0.00 175.17 174.97 2k2c n LYS 97 N 7.80 1.88 -1.38 4.34 5.02 -1.26 -4.79 118.16 129.77 2k2c n LYS 97 Ca 0.13 -4.37 -0.13 0.00 -2.02 0.00 0.00 58.31 51.92 2k2c n LYS 97 Cb 0.49 -2.16 -0.06 0.00 -0.02 0.00 0.00 35.03 33.28 2k2c n LYS 97 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k2c n LYS 98 N 1.59 -1.05 -2.04 1.97 4.76 -1.26 -3.39 118.16 118.73 2k2c n LYS 98 Ca 0.25 0.94 -0.42 0.00 -2.87 0.00 0.00 58.31 56.21 2k2c n LYS 98 Cb 0.39 -5.05 -0.03 0.00 -1.84 0.00 0.00 35.03 28.51 2k2c n LYS 98 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2k2c s GLN 99 N -3.03 4.28 0.08 1.97 0.74 -1.23 -1.32 119.66 121.15 2k2c s GLN 99 Ca 0.00 2.26 0.07 0.00 0.05 0.00 0.00 55.36 57.74 2k2c s GLN 99 Cb 0.00 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 2k2c s GLN 99 CO 0.00 -0.44 -0.12 1.52 -0.55 0.00 0.00 175.29 175.70 2k2c s TYR 100 N 0.34 2.71 -0.40 1.67 1.13 -1.25 -4.81 117.35 116.75 2k2c s TYR 100 Ca 0.62 -0.17 -0.16 0.00 -1.41 0.00 0.00 57.07 55.95 2k2c s TYR 100 Cb -0.41 -1.45 0.01 0.00 -1.10 0.00 0.00 41.96 39.02 2k2c s TYR 100 CO 0.39 0.39 0.35 -1.58 -2.51 0.00 0.00 175.55 172.58 2k2c s HIS 101 N -1.14 3.21 -0.54 -3.49 2.46 -1.26 -3.79 115.29 110.74 2k2c s HIS 101 Ca 0.19 -0.44 -0.28 0.00 0.47 0.00 0.00 55.06 55.01 2k2c s HIS 101 Cb -0.11 -2.69 0.01 0.00 -0.13 0.00 0.00 32.58 29.67 2k2c s HIS 101 CO 0.11 -0.59 1.44 0.00 -2.47 0.00 0.00 174.74 173.23 2k2c h GLU 103 N 11.19 0.93 -0.29 0.00 -0.00 -1.96 0.17 114.58 124.62 2k2c h GLU 103 Ca -0.27 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.36 58.92 2k2c h GLU 103 Cb 1.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 29.67 2k2c h GLU 103 CO 1.17 0.73 0.05 -2.95 -0.00 0.00 0.00 179.01 178.01 2k2c h ASN 104 N 0.92 0.46 0.36 3.06 7.08 -1.95 -3.12 115.58 122.38 2k2c h ASN 104 Ca 0.22 -0.26 -0.19 0.00 -3.08 0.00 0.00 56.30 52.99 2k2c h ASN 104 Cb 0.13 -0.12 -0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k2c h ASN 104 CO -0.03 0.60 -0.80 0.00 -2.08 0.00 0.00 177.43 175.12 2k2c n GLY 106 N 0.70 0.48 3.40 0.00 0.00 0.04 -5.07 105.19 104.74 2k2c n GLY 106 Ca -0.05 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 2k2c n GLY 106 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2c s ILE 107 N -2.00 1.31 -0.16 -0.61 -4.36 -1.17 -4.63 121.20 109.57 2k2c s ILE 107 Ca 0.00 -2.06 -0.13 0.00 -0.26 0.00 0.00 60.65 58.20 2k2c s ILE 107 Cb 0.00 -2.50 0.05 0.00 1.25 0.00 0.00 42.46 41.25 2k2c s ILE 107 CO 0.00 -0.23 0.42 0.00 0.24 0.00 0.00 174.94 175.37 2k2c n ARG 109 N 3.33 0.54 -1.68 0.00 5.12 -1.25 -5.01 116.66 117.71 2k2c n ARG 109 Ca -0.17 -1.27 -0.47 0.00 -1.93 0.00 0.00 57.85 54.01 2k2c n ARG 109 Cb 0.56 1.46 -0.04 0.00 -1.16 0.00 0.00 32.46 33.29 2k2c n ARG 109 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2k2c n ILE 110 N -0.29 0.37 0.00 0.55 2.08 -1.26 -4.07 119.36 116.74 2k2c n ILE 110 Ca -0.03 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2k2c n ILE 110 Cb 0.31 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 2k2c n ILE 110 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k2c n GLY 111 N 4.05 2.35 3.65 7.39 0.00 -1.22 -5.01 105.19 116.39 2k2c n GLY 111 Ca 0.20 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2k2c n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2c s PRO 112 N -0.66 4.12 0.53 1.61 0.04 -1.26 -3.56 135.00 135.81 2k2c s PRO 112 Ca 0.00 1.44 0.28 0.00 0.04 0.00 0.00 61.00 62.76 2k2c s PRO 112 Cb 0.00 -3.78 1.47 0.00 0.04 0.00 0.00 34.50 32.22 2k2c s PRO 112 CO 0.00 -0.85 2.07 1.57 0.04 0.00 0.00 177.00 179.83 2k2c h LYS 113 N 8.46 0.00 0.00 4.56 2.10 -1.52 -1.46 116.57 128.71 2k2c h LYS 113 Ca -0.25 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.25 2k2c h LYS 113 Cb 1.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.40 2k2c h LYS 113 CO 1.00 0.11 -0.74 1.05 -2.00 0.00 0.00 179.45 178.87 2k2c h GLU 114 N 0.00 0.00 -2.11 0.07 9.09 -1.90 -3.39 114.58 116.33 2k2c h GLU 114 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 2k2c h GLU 114 Cb 0.34 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.04 2k2c h GLU 114 CO 0.01 0.74 -0.92 -3.47 0.05 0.00 0.00 179.01 175.43 2k2c n ASP 115 N -3.49 2.18 -4.15 3.06 2.03 -0.58 -5.01 116.55 110.60 2k2c n ASP 115 Ca -0.00 -3.19 -0.10 0.00 0.52 0.00 0.00 54.79 52.01 2k2c n ASP 115 Cb 0.76 -0.62 -0.10 0.00 -0.72 0.00 0.00 41.12 40.45 2k2c n ASP 115 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k2c s PHE 116 N -2.41 0.92 -0.18 -0.67 -0.71 -1.06 -2.07 117.98 111.80 2k2c s PHE 116 Ca 0.41 -1.24 -0.13 0.00 -1.04 0.00 0.00 56.93 54.93 2k2c s PHE 116 Cb 0.25 -0.46 0.06 0.00 -1.21 0.00 0.00 43.02 41.65 2k2c s PHE 116 CO -0.09 -0.58 0.46 -0.59 -1.34 0.00 0.00 175.22 173.08 2k2c s PHE 117 N -4.08 -0.61 -0.42 3.49 -0.71 -0.83 -4.61 117.98 110.21 2k2c s PHE 117 Ca 0.28 1.36 -0.23 0.00 -1.04 0.00 0.00 56.93 57.31 2k2c s PHE 117 Cb 0.07 0.27 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 2k2c s PHE 117 CO 0.05 -0.32 0.77 -1.58 -1.34 0.00 0.00 175.22 172.80 2k2c s HIS 118 N 0.93 3.03 -0.11 3.49 2.46 -1.26 -2.16 115.29 121.67 2k2c s HIS 118 Ca -0.05 0.27 -0.29 0.00 0.47 0.00 0.00 55.06 55.45 2k2c s HIS 118 Cb -0.06 -3.56 -0.03 0.00 -0.13 0.00 0.00 32.58 28.80 2k2c s HIS 118 CO -0.08 -0.90 1.45 0.00 -2.47 0.00 0.00 174.74 172.74 2k2c h LEU 120 N 9.90 -0.34 -9.77 0.00 3.38 -1.97 -3.30 115.31 113.22 2k2c h LEU 120 Ca -0.33 -0.15 -0.50 0.00 0.09 0.00 0.00 57.88 56.99 2k2c h LEU 120 Cb 1.14 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2k2c h LEU 120 CO 0.96 -0.03 0.43 -0.54 0.09 0.00 0.00 178.44 179.35 2k2c s LYS 121 N -5.03 4.72 -0.35 1.13 -0.14 -1.26 -4.20 119.74 114.61 2k2c s LYS 121 Ca -0.15 1.68 -0.14 0.00 -1.36 0.00 0.00 55.97 56.00 2k2c s LYS 121 Cb 0.03 -3.23 0.02 0.00 -1.68 0.00 0.00 37.83 32.96 2k2c s LYS 121 CO 0.58 0.31 0.38 0.00 -0.76 0.00 0.00 175.35 175.86 2k2c s ASN 123 N -1.92 5.87 0.34 0.00 -0.87 -1.25 -4.53 114.94 112.58 2k2c s ASN 123 Ca 0.18 -0.95 -0.17 0.00 -1.57 0.00 0.00 52.86 50.35 2k2c s ASN 123 Cb -0.04 -2.56 0.04 0.00 -0.02 0.00 0.00 41.25 38.67 2k2c s ASN 123 CO 0.70 -2.07 0.74 -1.48 -2.57 0.00 0.00 177.10 172.42 2k2c s LEU 124 N 7.26 -0.05 -0.19 0.60 2.34 -1.24 -5.03 118.68 122.38 2k2c s LEU 124 Ca 0.56 -0.94 -0.00 0.00 0.06 0.00 0.00 54.13 53.80 2k2c s LEU 124 Cb -0.04 2.71 0.05 0.00 -0.56 0.00 0.00 46.19 48.35 2k2c s LEU 124 CO -0.02 -1.52 -0.04 0.00 -1.06 0.00 0.00 176.35 173.70 2k2c n LEU 126 N 4.84 0.00 -4.90 0.00 4.32 -0.92 -4.95 117.00 115.40 2k2c n LEU 126 Ca -0.12 -0.15 -0.28 0.00 -0.02 0.00 0.00 56.01 55.44 2k2c n LEU 126 Cb 0.47 0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.25 2k2c n LEU 126 CO 0.16 -0.16 0.35 0.00 -1.22 0.00 0.00 177.39 176.52 2k2c s ALA 127 N -2.04 3.48 0.34 -1.18 0.00 -1.26 -1.97 121.76 119.12 2k2c s ALA 127 Ca 0.01 -0.48 0.13 0.00 0.00 0.00 0.00 51.96 51.63 2k2c s ALA 127 Cb -0.00 -2.49 0.67 0.00 0.00 0.00 0.00 23.12 21.30 2k2c s ALA 127 CO 0.01 -0.05 1.79 1.98 0.00 0.00 0.00 175.76 179.48 2k2c h MET 128 N 0.99 0.00 -0.01 0.00 4.05 -1.67 -1.17 114.93 117.12 2k2c h MET 128 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 2k2c h MET 128 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2k2c h MET 128 CO 0.63 0.41 0.00 -1.71 0.23 0.00 0.00 176.91 176.48 2k2c n ASN 129 N -3.97 0.44 -0.45 1.39 5.15 -1.26 -3.53 115.26 113.02 2k2c n ASN 129 Ca -0.02 -1.22 0.05 0.00 -0.60 0.00 0.00 54.58 52.79 2k2c n ASN 129 Cb 0.45 -0.01 0.08 0.00 -0.53 0.00 0.00 39.78 39.77 2k2c n ASN 129 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2k2c n LEU 130 N -0.62 1.32 -0.11 1.20 -0.00 -0.51 -4.82 117.00 113.46 2k2c n LEU 130 Ca 0.21 -2.24 -0.13 0.00 -0.00 0.00 0.00 56.01 53.85 2k2c n LEU 130 Cb 0.17 -0.23 -0.03 0.00 -0.00 0.00 0.00 43.42 43.34 2k2c n LEU 130 CO 0.16 0.58 0.58 -0.61 -0.00 0.00 0.00 177.39 178.10 2k2c h GLN 131 N 0.22 0.83 0.00 1.96 4.15 -1.42 -3.15 115.11 117.70 2k2c h GLN 131 Ca -0.03 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2k2c h GLN 131 Cb 1.26 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2k2c h GLN 131 CO 0.01 1.06 0.00 0.41 -1.93 0.00 0.00 178.83 178.38 2k2c n GLY 132 N 0.11 -0.74 0.26 2.39 0.00 -1.26 -2.87 105.19 103.08 2k2c n GLY 132 Ca -0.03 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2k2c n GLY 132 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k2c h ARG 133 N 0.00 0.13 -6.44 1.61 9.65 -1.94 -3.44 114.38 113.95 2k2c h ARG 133 Ca 0.00 -0.01 -0.53 0.00 -1.10 0.00 0.00 59.98 58.34 2k2c h ARG 133 Cb 0.13 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 2k2c h ARG 133 CO 0.00 0.14 0.29 -1.01 2.80 0.00 0.00 179.97 182.19 2k2c s HIS 134 N -5.05 3.76 -0.72 2.20 3.76 -1.14 -5.02 115.29 113.08 2k2c s HIS 134 Ca -0.05 1.67 -0.18 0.00 -0.15 0.00 0.00 55.06 56.35 2k2c s HIS 134 Cb 0.17 -2.99 0.14 0.00 1.11 0.00 0.00 32.58 31.01 2k2c s HIS 134 CO 0.69 0.19 0.80 -1.59 -0.85 0.00 0.00 174.74 173.99 2k2c s LYS 135 N 0.16 3.30 -0.00 1.40 -2.85 -1.26 -4.95 119.74 115.53 2k2c s LYS 135 Ca 0.45 -1.70 0.05 0.00 -1.00 0.00 0.00 55.97 53.77 2k2c s LYS 135 Cb -0.22 -4.45 0.15 0.00 -2.06 0.00 0.00 37.83 31.25 2k2c s LYS 135 CO 0.27 -1.53 1.12 0.00 0.10 0.00 0.00 175.35 175.31