#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 -0.17 -1.37 3.04 0.00 -1.26 -4.96 121.76 117.04 2k2c s ALA 2 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2k2c s ALA 2 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2k2c s ALA 2 CO 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 175.76 174.86 2k2c n ALA 3 N -0.50 -0.20 -2.56 0.00 0.00 -1.26 -4.95 120.51 111.05 2k2c n ALA 3 Ca -0.03 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 2k2c n ALA 3 Cb 0.61 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2k2c n ALA 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k2c s THR 4 N -2.48 3.93 0.31 0.00 -4.23 -1.26 -4.92 115.64 107.00 2k2c s THR 4 Ca 0.00 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.69 2k2c s THR 4 Cb 0.00 -5.06 -0.03 0.00 1.34 0.00 0.00 72.50 68.75 2k2c s THR 4 CO 0.00 -1.94 0.27 0.00 -0.54 0.00 0.00 174.62 172.42 2k2c s ALA 5 N 4.97 1.69 -0.30 3.99 0.00 -1.26 -5.18 121.76 125.67 2k2c s ALA 5 Ca 0.47 -1.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 2k2c s ALA 5 Cb 0.00 1.45 0.13 0.00 0.00 0.00 0.00 23.12 24.70 2k2c s ALA 5 CO -0.08 -0.66 0.78 0.50 0.00 0.00 0.00 175.76 176.29 2k2c s ARG 6 N -3.52 0.51 -0.40 0.00 3.52 -1.26 -5.13 118.95 112.67 2k2c s ARG 6 Ca 0.40 1.15 -0.08 0.00 -0.13 0.00 0.00 55.73 57.07 2k2c s ARG 6 Cb 0.03 0.54 0.08 0.00 -1.56 0.00 0.00 34.95 34.04 2k2c s ARG 6 CO 0.25 -0.15 0.22 -1.83 -0.81 0.00 0.00 175.30 172.98 2k2c s GLU 7 N 2.38 2.52 0.26 5.12 4.04 -1.26 -5.01 118.70 126.76 2k2c s GLU 7 Ca -0.06 -1.47 -0.03 0.00 0.04 0.00 0.00 54.97 53.45 2k2c s GLU 7 Cb -0.08 -3.69 0.39 0.00 0.02 0.00 0.00 34.13 30.76 2k2c s GLU 7 CO -0.18 -0.92 1.88 -0.44 -1.84 0.00 0.00 175.26 173.75 2k2c h ASP 8 N 8.32 1.02 0.00 0.83 5.19 -2.08 -3.46 116.42 126.24 2k2c h ASP 8 Ca -0.22 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2k2c h ASP 8 Cb 1.08 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2k2c h ASP 8 CO 0.72 0.66 0.00 0.61 -3.12 0.00 0.00 179.24 178.11 2k2c n GLY 9 N -1.36 3.03 3.54 2.75 0.00 -1.26 -5.05 105.19 106.84 2k2c n GLY 9 Ca 0.15 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2k2c n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c s ALA 10 N 0.00 3.57 0.24 4.61 0.00 -1.26 -5.00 121.76 123.92 2k2c s ALA 10 Ca 0.00 -3.08 -0.11 0.00 0.00 0.00 0.00 51.96 48.77 2k2c s ALA 10 Cb 0.00 -4.45 -0.07 0.00 0.00 0.00 0.00 23.12 18.60 2k2c s ALA 10 CO 0.00 -3.10 0.58 0.95 0.00 0.00 0.00 175.76 174.19 2k2c s THR 11 N 3.23 4.89 0.00 0.00 -4.23 -1.26 -5.06 115.64 113.20 2k2c s THR 11 Ca 0.50 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 2k2c s THR 11 Cb 0.01 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2k2c s THR 11 CO 0.05 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2k2c n GLY 12 N -0.13 -0.19 2.54 3.99 0.00 -1.26 -5.19 105.19 104.94 2k2c n GLY 12 Ca 0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2k2c n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k2c n GLU 13 N -1.09 0.46 -3.83 1.61 0.00 -1.26 -5.18 120.64 111.34 2k2c n GLU 13 Ca 0.00 -2.30 -0.14 0.00 0.00 0.00 0.00 57.16 54.72 2k2c n GLU 13 Cb 0.00 2.08 -0.15 0.00 0.00 0.00 0.00 31.44 33.37 2k2c n GLU 13 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2k2c s GLU 14 N -2.77 0.01 -0.15 3.44 1.03 -1.26 -5.06 118.70 113.93 2k2c s GLU 14 Ca 0.25 0.09 -0.17 0.00 0.03 0.00 0.00 54.97 55.17 2k2c s GLU 14 Cb 0.00 -0.16 -0.14 0.00 -0.80 0.00 0.00 34.13 33.03 2k2c s GLU 14 CO 0.18 -0.09 0.26 0.00 -1.33 0.00 0.00 175.26 174.29 2k2c h ARG 15 N 6.76 0.00 -0.71 -4.83 -0.00 -1.98 -3.49 114.38 110.13 2k2c h ARG 15 Ca -0.36 0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 58.82 2k2c h ARG 15 Cb 1.16 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 31.01 2k2c h ARG 15 CO 0.49 0.61 -0.28 0.41 0.00 0.00 0.00 179.97 181.21 2k2c n GLY 16 N 1.59 1.51 3.50 0.04 0.00 -1.26 -4.92 105.19 105.65 2k2c n GLY 16 Ca -0.14 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 2k2c n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k2c s GLN 17 N -3.23 4.00 0.46 1.61 0.74 -1.26 -4.68 119.66 117.29 2k2c s GLN 17 Ca 0.00 -2.29 -0.14 0.00 0.05 0.00 0.00 55.36 52.98 2k2c s GLN 17 Cb 0.00 -5.21 -0.08 0.00 1.10 0.00 0.00 33.01 28.83 2k2c s GLN 17 CO 0.00 -1.93 0.89 -0.98 -0.55 0.00 0.00 175.29 172.71 2k2c s ARG 18 N 2.60 3.90 0.00 1.67 1.04 -1.26 -4.98 118.95 121.92 2k2c s ARG 18 Ca 0.45 0.76 0.00 0.00 -1.04 0.00 0.00 55.73 55.90 2k2c s ARG 18 Cb -0.01 -2.25 0.00 0.00 -2.04 0.00 0.00 34.95 30.65 2k2c s ARG 18 CO 0.01 -0.14 0.00 0.41 -0.04 0.00 0.00 175.30 175.54 2k2c n GLY 19 N -1.35 -0.34 3.44 3.88 0.00 0.09 -4.92 105.19 105.98 2k2c n GLY 19 Ca 0.05 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 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 2.03 0.00 0.05 0.00 -0.00 -2.02 -3.03 114.58 111.62 2k2c h GLU 21 Ca -0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.04 2k2c h GLU 21 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 2k2c h GLU 21 CO 0.37 0.00 -0.02 0.45 -0.00 0.00 0.00 179.01 179.80 2k2c h HIS 22 N 0.00 -0.06 -3.21 2.06 3.86 -2.01 -3.46 115.15 112.32 2k2c h HIS 22 Ca 0.00 -0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 2k2c h HIS 22 Cb 0.38 0.02 -0.37 0.00 1.06 0.00 0.00 27.41 28.50 2k2c h HIS 22 CO 0.00 0.46 -0.79 0.71 0.86 0.00 0.00 177.93 179.17 2k2c s TYR 23 N -2.42 1.28 -1.08 2.45 2.02 -1.15 -5.06 117.35 113.39 2k2c s TYR 23 Ca -0.11 -0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 55.78 2k2c s TYR 23 Cb -0.01 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.45 2k2c s TYR 23 CO 0.42 -0.45 1.72 -0.51 -1.57 0.00 0.00 175.55 175.15 2k2c s ASP 24 N 1.70 6.01 -0.03 2.29 1.01 -1.21 -1.07 116.67 125.36 2k2c s ASP 24 Ca 0.04 -1.53 -0.01 0.00 0.71 0.00 0.00 52.55 51.76 2k2c s ASP 24 Cb -0.13 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.26 2k2c s ASP 24 CO -0.07 -1.99 0.03 -0.60 0.21 0.00 0.00 175.17 172.76 2k2c s ARG 25 N 5.54 0.05 -0.22 8.23 3.52 -1.26 -1.80 118.95 133.01 2k2c s ARG 25 Ca 0.57 0.23 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 2k2c s ARG 25 Cb -0.01 -0.43 0.32 0.00 -1.56 0.00 0.00 34.95 33.27 2k2c s ARG 25 CO 0.00 -0.23 1.46 0.41 -0.81 0.00 0.00 175.30 176.14 2k2c n GLY 26 N 4.64 3.24 3.08 8.12 0.00 -0.42 -0.74 105.19 123.12 2k2c n GLY 26 Ca -0.17 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.10 4.39 -0.36 0.00 1.43 -1.18 -4.35 118.68 117.50 2k2c s LEU 28 Ca -0.12 0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 53.22 2k2c s LEU 28 Cb -0.06 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.85 2k2c s LEU 28 CO 0.01 0.35 0.91 -0.76 0.23 0.00 0.00 176.35 177.08 2k2c s LEU 29 N -1.34 4.02 -0.60 1.79 1.43 -0.14 -0.80 118.68 123.04 2k2c s LEU 29 Ca 0.20 0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 53.63 2k2c s LEU 29 Cb -0.13 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.86 2k2c s LEU 29 CO 0.10 -0.82 1.51 -0.75 0.23 0.00 0.00 176.35 176.62 2k2c s LYS 30 N 3.39 3.12 -0.57 1.70 2.20 -0.93 -2.94 119.74 125.71 2k2c s LYS 30 Ca 0.37 0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 56.11 2k2c s LYS 30 Cb -0.12 -4.20 0.04 0.00 -1.51 0.00 0.00 37.83 32.03 2k2c s LYS 30 CO 0.17 -2.17 1.07 0.00 -0.36 0.00 0.00 175.35 174.06 2k2c s ALA 31 N 6.75 3.08 -0.87 3.13 0.00 -0.09 -4.09 121.76 129.66 2k2c s ALA 31 Ca 0.53 -1.04 0.16 0.00 0.00 0.00 0.00 51.96 51.61 2k2c s ALA 31 Cb -0.11 -3.89 0.68 0.00 0.00 0.00 0.00 23.12 19.80 2k2c s ALA 31 CO 0.22 -2.53 1.50 -0.35 0.00 0.00 0.00 175.76 174.60 2k2c n PRO 32 N 7.95 0.04 0.25 0.00 -0.04 -1.26 0.40 135.00 142.35 2k2c n PRO 32 Ca 0.05 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 63.96 2k2c n PRO 32 Cb 0.48 -1.59 0.55 0.00 -0.04 0.00 0.00 33.50 32.90 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 -5.76 -4.95 0.00 9.92 0.16 -4.96 116.55 110.96 2k2c n ASP 35 Ca 0.00 0.18 -0.23 0.00 -0.53 0.00 0.00 54.79 54.21 2k2c n ASP 35 Cb 0.51 -3.88 -0.01 0.00 -0.64 0.00 0.00 41.12 37.10 2k2c n ASP 35 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k2c s LYS 36 N -2.57 3.32 -0.24 -1.24 1.02 -1.12 -4.75 119.74 114.17 2k2c s LYS 36 Ca 0.00 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.52 2k2c s LYS 36 Cb 0.00 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.69 2k2c s LYS 36 CO 0.00 0.05 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.85 2k2c s LEU 37 N -4.34 2.95 -0.05 3.17 2.01 -1.26 -0.91 118.68 120.25 2k2c s LEU 37 Ca 0.42 -1.18 -0.02 0.00 0.01 0.00 0.00 54.13 53.37 2k2c s LEU 37 Cb -0.10 -1.44 0.04 0.00 0.01 0.00 0.00 46.19 44.70 2k2c s LEU 37 CO 0.35 -0.16 0.10 -0.31 1.01 0.00 0.00 176.35 177.34 2k2c s TYR 38 N 1.22 -0.08 0.50 0.29 2.02 -1.15 -4.85 117.35 115.29 2k2c s TYR 38 Ca -0.05 0.36 0.24 0.00 -0.37 0.00 0.00 57.07 57.25 2k2c s TYR 38 Cb -0.18 -0.18 1.33 0.00 -0.40 0.00 0.00 41.96 42.52 2k2c s TYR 38 CO -0.07 -0.15 1.95 1.15 -1.57 0.00 0.00 175.55 176.85 2k2c h THR 39 N 6.21 0.70 -2.72 -0.71 2.02 -1.89 -0.33 112.91 116.18 2k2c h THR 39 Ca -0.39 -0.04 -0.62 0.00 0.77 0.00 0.00 66.41 66.13 2k2c h THR 39 Cb 1.13 0.58 -0.16 0.00 -1.74 0.00 0.00 68.15 67.95 2k2c h THR 39 CO 0.40 0.02 -0.79 0.00 0.37 0.00 0.00 175.52 175.52 2k2c h ARG 41 N 2.74 0.25 0.13 0.00 0.11 -1.88 -2.99 114.38 112.73 2k2c h ARG 41 Ca -0.43 -0.18 -0.29 0.00 0.10 0.00 0.00 59.98 59.18 2k2c h ARG 41 Cb 1.23 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2k2c h ARG 41 CO 0.54 0.81 -1.36 1.37 0.10 0.00 0.00 179.97 181.43 2k2c h LEU 42 N 0.18 0.42 -1.84 0.08 -0.00 -1.96 -2.28 115.31 109.91 2k2c h LEU 42 Ca -0.01 -0.49 -0.03 0.00 -0.00 0.00 0.00 57.88 57.35 2k2c h LEU 42 Cb 1.18 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2k2c h LEU 42 CO 0.10 1.40 -0.12 0.00 -0.00 0.00 0.00 178.44 179.82 2k2c h HIS 44 N 0.00 -0.59 -0.02 0.00 -0.00 -1.52 -3.36 115.15 109.66 2k2c h HIS 44 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2k2c h HIS 44 Cb 0.37 0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.98 2k2c h HIS 44 CO 0.00 -0.30 -0.02 0.22 -0.00 0.00 0.00 177.93 177.83 2k2c h ASP 45 N -1.09 0.02 -0.77 3.26 3.58 -0.94 -0.34 116.42 120.14 2k2c h ASP 45 Ca -0.07 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2k2c h ASP 45 Cb 0.56 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 2k2c h ASP 45 CO 0.11 0.05 0.41 -1.13 -2.88 0.00 0.00 179.24 175.79 2k2c h ASN 46 N 0.03 0.99 0.48 2.28 -1.24 -1.34 -3.18 115.58 113.60 2k2c h ASN 46 Ca 0.01 -0.10 -0.14 0.00 0.71 0.00 0.00 56.30 56.78 2k2c h ASN 46 Cb 0.06 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.83 2k2c h ASN 46 CO 0.00 0.82 -1.63 0.59 -1.29 0.00 0.00 177.43 175.91 2k2c n ASN 47 N -4.34 0.53 -4.98 1.15 3.02 -0.46 -4.98 115.26 105.20 2k2c n ASN 47 Ca 0.08 0.23 -0.20 0.00 -0.03 0.00 0.00 54.58 54.66 2k2c n ASN 47 Cb 0.12 0.74 0.01 0.00 -0.61 0.00 0.00 39.78 40.04 2k2c n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k2c s GLU 48 N -3.06 3.01 0.00 3.52 0.41 -0.26 -5.01 118.70 117.31 2k2c s GLU 48 Ca -0.05 -0.88 0.24 0.00 -0.41 0.00 0.00 54.97 53.87 2k2c s GLU 48 Cb 0.10 -2.71 1.12 0.00 -1.78 0.00 0.00 34.13 30.85 2k2c s GLU 48 CO 0.83 -0.15 1.76 -0.25 -0.49 0.00 0.00 175.26 176.96 2k2c n ASP 49 N -1.85 0.98 -3.92 -0.19 9.92 -1.26 -4.84 116.55 115.38 2k2c n ASP 49 Ca 0.02 -1.46 -0.09 0.00 -0.53 0.00 0.00 54.79 52.72 2k2c n ASP 49 Cb 0.58 -0.03 -0.05 0.00 -0.64 0.00 0.00 41.12 40.98 2k2c n ASP 49 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2k2c s HIS 50 N -1.93 0.39 -0.01 1.24 -3.43 -1.26 -5.18 115.29 105.10 2k2c s HIS 50 Ca 0.36 -0.76 -0.02 0.00 -0.80 0.00 0.00 55.06 53.84 2k2c s HIS 50 Cb 0.18 0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 2k2c s HIS 50 CO 0.29 -1.02 0.16 -0.65 -2.00 0.00 0.00 174.74 171.52 2k2c s GLN 51 N -3.90 3.36 -0.18 -0.38 -0.21 -1.26 -4.36 119.66 112.71 2k2c s GLN 51 Ca 0.23 -0.35 -0.19 0.00 0.02 0.00 0.00 55.36 55.07 2k2c s GLN 51 Cb -0.01 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.92 2k2c s GLN 51 CO 0.10 0.68 0.56 -1.17 -2.12 0.00 0.00 175.29 173.33 2k2c s LEU 52 N -1.84 4.17 -0.12 2.90 0.20 -1.26 -5.03 118.68 117.70 2k2c s LEU 52 Ca 0.26 0.76 -0.17 0.00 0.69 0.00 0.00 54.13 55.67 2k2c s LEU 52 Cb -0.12 -2.78 -0.04 0.00 -0.43 0.00 0.00 46.19 42.81 2k2c s LEU 52 CO 0.17 -0.19 0.43 -0.62 -0.29 0.00 0.00 176.35 175.85 2k2c s ASP 53 N 1.10 6.64 0.35 3.68 2.15 -1.26 -4.83 116.67 124.50 2k2c s ASP 53 Ca 0.26 0.76 0.27 0.00 0.43 0.00 0.00 52.55 54.27 2k2c s ASP 53 Cb -0.16 -2.26 1.12 0.00 -0.30 0.00 0.00 42.92 41.32 2k2c s ASP 53 CO 0.10 0.05 1.80 0.08 -0.17 0.00 0.00 175.17 177.03 2k2c h ARG 54 N 6.54 0.00 0.00 4.34 -0.00 -1.93 -3.05 114.38 120.29 2k2c h ARG 54 Ca -0.42 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.22 2k2c h ARG 54 Cb 1.18 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.09 2k2c h ARG 54 CO 0.74 0.00 -2.12 1.19 -0.00 0.00 0.00 179.97 179.79 2k2c n PHE 55 N -2.51 0.42 0.49 4.08 3.72 -1.26 -4.30 117.46 118.10 2k2c n PHE 55 Ca 0.02 0.15 0.12 0.00 -0.05 0.00 0.00 57.45 57.68 2k2c n PHE 55 Cb 0.25 -1.08 0.20 0.00 -0.94 0.00 0.00 39.48 37.91 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 0.00 -6.37 -1.08 1.57 -1.97 -3.42 116.57 105.29 2k2c h LYS 56 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 2k2c h LYS 56 Cb 2.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.45 2k2c h LYS 56 CO 0.05 0.00 0.82 0.14 -0.57 0.00 0.00 179.45 179.89 2k2c s VAL 57 N -3.18 3.74 -0.09 0.50 -7.23 -1.16 -4.69 120.40 108.29 2k2c s VAL 57 Ca 0.06 1.12 -0.09 0.00 -1.81 0.00 0.00 61.98 61.27 2k2c s VAL 57 Cb 0.12 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.29 2k2c s VAL 57 CO 0.70 0.00 -0.19 1.17 -0.31 0.00 0.00 175.10 176.47 2k2c n LYS 58 N 5.32 0.30 -2.29 4.82 3.00 -1.26 -5.00 118.16 123.05 2k2c n LYS 58 Ca 0.13 0.12 -0.26 0.00 -0.00 0.00 0.00 58.31 58.30 2k2c n LYS 58 Cb 0.44 -1.01 0.05 0.00 0.00 0.00 0.00 35.03 34.51 2k2c n LYS 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k2c s GLU 59 N -2.39 2.49 0.11 1.64 2.02 -1.26 -3.15 118.70 118.16 2k2c s GLU 59 Ca -0.18 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.61 2k2c s GLU 59 Cb 0.05 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 2k2c s GLU 59 CO 0.24 -1.01 0.05 0.14 0.02 0.00 0.00 175.26 174.71 2k2c s VAL 60 N -3.13 0.13 0.62 2.63 -7.23 -0.45 -2.18 120.40 110.80 2k2c s VAL 60 Ca 0.58 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 2k2c s VAL 60 Cb -0.11 -1.89 0.06 0.00 0.56 0.00 0.00 36.38 35.00 2k2c s VAL 60 CO 0.45 -0.59 0.88 -1.10 -0.31 0.00 0.00 175.10 174.43 2k2c s GLN 61 N -4.01 2.29 -0.20 4.82 -0.21 0.02 -1.31 119.66 121.06 2k2c s GLN 61 Ca 0.19 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.90 2k2c s GLN 61 Cb 0.07 -2.37 0.04 0.00 1.00 0.00 0.00 33.01 31.76 2k2c s GLN 61 CO -0.01 -0.99 -0.11 0.00 -2.12 0.00 0.00 175.29 172.05 2k2c n ILE 63 N 4.67 3.91 0.17 0.00 5.41 -0.89 0.01 119.36 132.63 2k2c n ILE 63 Ca -0.15 -3.74 0.00 0.00 1.00 0.00 0.00 62.75 59.86 2k2c n ILE 63 Cb 0.46 -2.48 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 2k2c n ILE 63 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2k2c n ASN 64 N 5.07 -2.99 0.01 4.38 5.15 -1.26 -4.11 115.26 121.50 2k2c n ASN 64 Ca 0.46 0.74 0.11 0.00 -0.60 0.00 0.00 54.58 55.28 2k2c n ASN 64 Cb 0.38 2.91 -0.10 0.00 -0.53 0.00 0.00 39.78 42.44 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 -1.94 -3.77 -3.84 0.00 1.02 0.10 -4.99 120.64 107.22 2k2c n GLU 66 Ca 0.00 0.87 -0.27 0.00 -0.02 0.00 0.00 57.16 57.74 2k2c n GLU 66 Cb 0.45 -5.65 -0.03 0.00 -0.02 0.00 0.00 31.44 26.19 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 -5.53 3.48 -0.11 3.49 2.20 -1.26 -4.82 119.74 117.20 2k2c s LYS 67 Ca 0.22 -0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 55.09 2k2c s LYS 67 Cb -0.10 -2.93 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2k2c s LYS 67 CO 0.27 0.49 0.90 0.42 -0.36 0.00 0.00 175.35 177.07 2k2c s ILE 68 N -1.75 4.87 0.20 5.43 -1.09 -1.26 -2.70 121.20 124.90 2k2c s ILE 68 Ca 0.36 1.82 -0.02 0.00 -2.23 0.00 0.00 60.65 60.58 2k2c s ILE 68 Cb -0.11 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 2k2c s ILE 68 CO 0.28 0.07 0.15 0.00 -1.23 0.00 0.00 174.94 174.22 2k2c s GLN 69 N 1.74 1.20 0.43 2.79 0.00 -0.43 -5.01 119.66 120.38 2k2c s GLN 69 Ca 0.44 -1.58 -0.24 0.00 -0.00 0.00 0.00 55.36 53.98 2k2c s GLN 69 Cb -0.18 0.28 -0.08 0.00 0.00 0.00 0.00 33.01 33.04 2k2c s GLN 69 CO 0.18 -0.40 1.18 -1.01 0.00 0.00 0.00 175.29 175.23 2k2c s HIS 70 N -4.14 2.95 -0.08 9.60 3.76 -1.26 -1.34 115.29 124.78 2k2c s HIS 70 Ca 0.36 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.51 2k2c s HIS 70 Cb 0.06 -3.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.31 2k2c s HIS 70 CO 0.11 -1.47 1.49 0.00 -0.85 0.00 0.00 174.74 174.02 2k2c s ALA 71 N -1.47 3.63 0.00 -1.40 0.00 -1.19 -4.72 121.76 116.60 2k2c s ALA 71 Ca 0.60 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2k2c s ALA 71 Cb -0.30 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2k2c s ALA 71 CO 0.37 -1.25 0.00 0.00 0.00 0.00 0.00 175.76 174.88 2k2c n GLN 72 N 6.67 0.00 0.01 0.00 10.64 -1.26 -5.04 117.38 128.39 2k2c n GLN 72 Ca 0.16 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 55.13 2k2c n GLN 72 Cb 0.43 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.68 2k2c n GLN 72 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 2k2c h GLN 73 N 0.00 0.21 -6.24 2.61 4.15 -1.93 -3.45 115.11 110.45 2k2c h GLN 73 Ca 0.00 -0.36 -0.59 0.00 0.77 0.00 0.00 58.65 58.47 2k2c h GLN 73 Cb 0.00 0.13 -0.13 0.00 0.21 0.00 0.00 27.48 27.70 2k2c h GLN 73 CO 0.00 1.17 -0.72 0.95 -1.93 0.00 0.00 178.83 178.30 2k2c s THR 74 N -2.40 2.88 -0.32 2.39 -4.23 -1.26 -1.37 115.64 111.34 2k2c s THR 74 Ca -0.17 -2.16 -0.29 0.00 -1.18 0.00 0.00 61.69 57.89 2k2c s THR 74 Cb 0.01 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.35 2k2c s THR 74 CO 0.77 -0.36 1.05 0.00 -0.54 0.00 0.00 174.62 175.54 2k2c h GLU 76 N 8.08 0.00 0.15 0.00 4.11 -1.91 0.38 114.58 125.38 2k2c h GLU 76 Ca -0.21 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.92 2k2c h GLU 76 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k2c h GLU 76 CO 1.02 0.00 -1.54 1.49 0.07 0.00 0.00 179.01 180.05 2k2c h GLU 77 N 0.00 0.32 0.00 1.06 4.57 -1.98 -3.44 114.58 115.11 2k2c h GLU 77 Ca 0.00 -0.55 -0.14 0.00 -1.18 0.00 0.00 59.36 57.49 2k2c h GLU 77 Cb 0.06 0.20 -0.22 0.00 -0.16 0.00 0.00 28.75 28.64 2k2c h GLU 77 CO 0.00 1.26 -0.57 0.00 -1.18 0.00 0.00 179.01 178.53 2k2c n SER 79 N 0.19 -4.65 -4.61 0.00 7.64 0.13 -4.90 113.62 107.41 2k2c n SER 79 Ca -0.12 0.25 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 2k2c n SER 79 Cb 0.86 -3.59 -0.03 0.00 -1.01 0.00 0.00 64.21 60.44 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 -1.76 3.06 -0.38 0.44 2.01 -1.25 -4.39 115.64 113.36 2k2c s THR 80 Ca 0.00 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 2k2c s THR 80 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 2k2c s THR 80 CO 0.00 -0.04 1.74 -0.22 -0.69 0.00 0.00 174.62 175.41 2k2c s LEU 81 N 7.35 3.49 0.49 4.42 2.96 -1.26 -1.08 118.68 135.05 2k2c s LEU 81 Ca 0.96 1.09 0.26 0.00 -0.22 0.00 0.00 54.13 56.23 2k2c s LEU 81 Cb -0.34 -3.39 1.22 0.00 0.50 0.00 0.00 46.19 44.18 2k2c s LEU 81 CO 0.36 -1.75 1.96 -0.26 -1.32 0.00 0.00 176.35 175.35 2k2c h PHE 82 N 12.75 0.00 0.00 5.38 0.04 -1.50 -3.39 116.94 130.21 2k2c h PHE 82 Ca -0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 2k2c h PHE 82 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 2k2c h PHE 82 CO 0.97 0.17 0.00 0.41 -0.60 0.00 0.00 178.31 179.26 2k2c n GLY 83 N -0.29 1.39 0.33 -1.45 0.00 -1.26 -1.30 105.19 102.61 2k2c n GLY 83 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.88 -4.99 1.61 4.39 -1.88 -3.40 114.58 111.19 2k2c h GLU 84 Ca 0.00 -0.10 -0.64 0.00 0.34 0.00 0.00 59.36 58.97 2k2c h GLU 84 Cb 0.00 -0.17 -0.19 0.00 -0.10 0.00 0.00 28.75 28.29 2k2c h GLU 84 CO 0.00 0.66 -0.56 -0.47 -1.16 0.00 0.00 179.01 177.47 2k2c s TYR 85 N -5.57 3.19 0.04 4.33 6.14 -0.67 -4.82 117.35 120.00 2k2c s TYR 85 Ca -0.10 -0.07 0.09 0.00 0.64 0.00 0.00 57.07 57.63 2k2c s TYR 85 Cb 0.17 -2.28 -0.03 0.00 0.42 0.00 0.00 41.96 40.24 2k2c s TYR 85 CO 0.78 -0.16 -0.25 1.52 0.64 0.00 0.00 175.55 178.08 2k2c s TYR 86 N 1.44 2.17 -0.30 4.97 1.13 -1.26 -1.93 117.35 123.57 2k2c s TYR 86 Ca 0.06 -0.40 -0.13 0.00 -1.41 0.00 0.00 57.07 55.19 2k2c s TYR 86 Cb -0.15 -1.30 0.17 0.00 -1.10 0.00 0.00 41.96 39.58 2k2c s TYR 86 CO 0.06 0.12 0.99 0.00 -2.51 0.00 0.00 175.55 174.20 2k2c h ASP 88 N 7.67 0.00 -0.54 0.00 3.58 -1.94 -1.32 116.42 123.87 2k2c h ASP 88 Ca -0.15 -0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.28 2k2c h ASP 88 Cb 1.14 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.15 2k2c h ASP 88 CO 0.04 0.03 0.30 0.40 -2.88 0.00 0.00 179.24 177.13 2k2c h ILE 89 N 0.00 1.02 0.00 2.25 2.04 -1.96 -2.52 117.51 118.34 2k2c h ILE 89 Ca 0.00 -0.20 -0.17 0.00 1.00 0.00 0.00 64.86 65.49 2k2c h ILE 89 Cb 0.95 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2k2c h ILE 89 CO 0.00 0.11 -1.34 0.00 0.00 0.00 0.00 178.15 176.92 2k2c n HIS 91 N -2.93 -2.18 -4.20 0.00 -0.00 -0.59 -4.63 115.22 100.70 2k2c n HIS 91 Ca -0.09 0.88 -0.17 0.00 0.46 0.00 0.00 57.72 58.80 2k2c n HIS 91 Cb 0.84 -4.69 -0.15 0.00 -0.12 0.00 0.00 29.99 25.87 2k2c n HIS 91 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 2k2c s LEU 92 N -5.91 1.95 -0.23 0.27 0.05 -0.67 -4.87 118.68 109.27 2k2c s LEU 92 Ca 0.13 -0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.21 2k2c s LEU 92 Cb -0.02 -0.32 0.06 0.00 -2.05 0.00 0.00 46.19 43.86 2k2c s LEU 92 CO 0.70 0.06 -0.06 -0.36 -0.55 0.00 0.00 176.35 176.15 2k2c s PHE 93 N -0.06 2.35 -0.04 3.48 0.08 -1.26 -2.96 117.98 119.57 2k2c s PHE 93 Ca 0.01 -1.70 -0.07 0.00 0.12 0.00 0.00 56.93 55.30 2k2c s PHE 93 Cb -0.03 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2k2c s PHE 93 CO -0.00 -0.76 0.17 0.34 -0.10 0.00 0.00 175.22 174.87 2k2c s ASP 94 N 1.41 -0.12 0.46 1.36 2.15 -0.81 -4.40 116.67 116.72 2k2c s ASP 94 Ca -0.05 0.18 -0.24 0.00 0.43 0.00 0.00 52.55 52.87 2k2c s ASP 94 Cb -0.18 0.32 -0.07 0.00 -0.30 0.00 0.00 42.92 42.68 2k2c s ASP 94 CO -0.06 -0.17 1.29 -0.54 -0.17 0.00 0.00 175.17 175.51 2k2c s LYS 95 N -0.41 3.68 -0.44 4.34 1.02 -0.75 -1.66 119.74 125.52 2k2c s LYS 95 Ca -0.05 2.09 -0.27 0.00 0.02 0.00 0.00 55.97 57.76 2k2c s LYS 95 Cb -0.03 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2k2c s LYS 95 CO 0.01 -0.71 1.01 0.34 -0.92 0.00 0.00 175.35 175.07 2k2c s ASP 96 N -0.95 6.61 -0.75 2.83 2.15 -1.26 -4.74 116.67 120.56 2k2c s ASP 96 Ca 0.63 0.40 0.03 0.00 0.43 0.00 0.00 52.55 54.04 2k2c s ASP 96 Cb -0.36 -2.49 0.21 0.00 -0.30 0.00 0.00 42.92 39.97 2k2c s ASP 96 CO 0.45 -1.07 0.67 0.29 -0.17 0.00 0.00 175.17 175.34 2k2c n LYS 97 N 7.30 2.30 -1.14 4.34 4.01 -1.26 -4.83 118.16 128.88 2k2c n LYS 97 Ca 0.09 -4.54 -0.05 0.00 -0.51 0.00 0.00 58.31 53.29 2k2c n LYS 97 Cb 0.48 -2.32 -0.02 0.00 -0.51 0.00 0.00 35.03 32.67 2k2c n LYS 97 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2k2c n LYS 98 N 1.71 -1.01 -1.96 1.97 4.76 -1.26 -4.13 118.16 118.23 2k2c n LYS 98 Ca 0.23 0.55 -0.30 0.00 -2.87 0.00 0.00 58.31 55.92 2k2c n LYS 98 Cb 0.37 -4.46 0.04 0.00 -1.84 0.00 0.00 35.03 29.14 2k2c n LYS 98 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2k2c s GLN 99 N -1.91 2.88 -0.07 1.97 -2.07 -1.25 -1.95 119.66 117.26 2k2c s GLN 99 Ca 0.00 0.39 -0.15 0.00 -1.82 0.00 0.00 55.36 53.79 2k2c s GLN 99 Cb 0.00 -2.06 0.03 0.00 -1.09 0.00 0.00 33.01 29.89 2k2c s GLN 99 CO 0.00 -0.97 0.36 1.52 -1.32 0.00 0.00 175.29 174.87 2k2c s TYR 100 N -3.30 -0.31 -0.57 9.60 1.13 -1.26 -4.83 117.35 117.82 2k2c s TYR 100 Ca 0.57 0.65 -0.25 0.00 -1.41 0.00 0.00 57.07 56.63 2k2c s TYR 100 Cb -0.11 0.13 0.04 0.00 -1.10 0.00 0.00 41.96 40.92 2k2c s TYR 100 CO 0.51 -0.31 1.01 -1.58 -2.51 0.00 0.00 175.55 172.67 2k2c s HIS 101 N -0.62 2.73 -0.34 -3.49 2.46 -1.26 -4.10 115.29 110.67 2k2c s HIS 101 Ca -0.07 0.07 -0.29 0.00 0.47 0.00 0.00 55.06 55.24 2k2c s HIS 101 Cb -0.04 -4.20 0.00 0.00 -0.13 0.00 0.00 32.58 28.21 2k2c s HIS 101 CO 0.03 -1.44 1.43 0.00 -2.47 0.00 0.00 174.74 172.29 2k2c h GLU 103 N 10.38 0.84 -0.53 0.00 5.08 -1.95 0.13 114.58 128.52 2k2c h GLU 103 Ca -0.28 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2k2c h GLU 103 Cb 1.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2k2c h GLU 103 CO 1.05 0.83 0.18 -2.95 -1.00 0.00 0.00 179.01 177.12 2k2c h ASN 104 N 0.72 0.76 1.66 1.42 7.08 -1.96 -2.76 115.58 122.49 2k2c h ASN 104 Ca 0.16 -0.19 -0.05 0.00 -3.08 0.00 0.00 56.30 53.14 2k2c h ASN 104 Cb 0.39 -0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 36.43 2k2c h ASN 104 CO 0.01 0.75 -0.35 0.00 -2.08 0.00 0.00 177.43 175.76 2k2c n GLY 106 N 1.17 0.63 3.21 0.00 0.00 0.44 -5.02 105.19 105.62 2k2c n GLY 106 Ca 0.02 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.24 0.93 -0.09 -0.61 -4.36 -1.06 -4.39 121.20 109.38 2k2c s ILE 107 Ca 0.00 -1.97 -0.04 0.00 -0.26 0.00 0.00 60.65 58.38 2k2c s ILE 107 Cb 0.00 -1.74 0.05 0.00 1.25 0.00 0.00 42.46 42.02 2k2c s ILE 107 CO 0.00 -0.79 0.18 0.00 0.24 0.00 0.00 174.94 174.57 2k2c s ARG 109 N 1.79 1.89 -0.35 0.00 1.81 -1.26 -4.96 118.95 117.88 2k2c s ARG 109 Ca -0.03 -1.54 -0.29 0.00 -1.72 0.00 0.00 55.73 52.14 2k2c s ARG 109 Cb -0.12 0.50 -0.07 0.00 -0.45 0.00 0.00 34.95 34.80 2k2c s ARG 109 CO -0.07 -0.81 2.29 -0.89 -0.68 0.00 0.00 175.30 175.14 2k2c n ILE 110 N -0.51 0.18 -3.22 1.52 2.08 -1.26 -4.13 119.36 114.02 2k2c n ILE 110 Ca -0.02 -0.50 0.04 0.00 0.56 0.00 0.00 62.75 62.83 2k2c n ILE 110 Cb 0.61 -2.37 -0.02 0.00 -0.75 0.00 0.00 39.64 37.11 2k2c n ILE 110 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2k2c s GLY 111 N 9.23 -0.56 -0.41 7.39 0.00 -1.26 -5.00 107.32 116.71 2k2c s GLY 111 Ca 1.03 2.48 -0.28 0.00 0.00 0.00 0.00 44.72 47.95 2k2c s GLY 111 CO 0.36 3.53 1.63 2.56 0.00 0.00 0.00 173.10 181.17 2k2c s PRO 112 N 2.83 3.34 0.58 2.90 0.04 -1.25 -3.84 135.00 139.60 2k2c s PRO 112 Ca 0.06 1.07 0.28 0.00 0.04 0.00 0.00 61.00 62.44 2k2c s PRO 112 Cb -0.11 -4.15 1.63 0.00 0.04 0.00 0.00 34.50 31.91 2k2c s PRO 112 CO -0.16 -1.86 2.12 1.57 0.04 0.00 0.00 177.00 178.71 2k2c h LYS 113 N 12.14 0.00 -0.61 4.56 2.10 -1.54 0.51 116.57 133.73 2k2c h LYS 113 Ca -0.30 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.25 2k2c h LYS 113 Cb 1.14 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.45 2k2c h LYS 113 CO 1.09 0.00 0.00 1.05 -2.00 0.00 0.00 179.45 179.59 2k2c h GLU 114 N 0.00 1.08 -0.03 0.07 9.09 -1.89 -3.30 114.58 119.59 2k2c h GLU 114 Ca 0.08 -0.34 0.00 0.00 0.05 0.00 0.00 59.36 59.15 2k2c h GLU 114 Cb 0.43 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 2k2c h GLU 114 CO -0.00 1.04 0.00 -0.25 0.05 0.00 0.00 179.01 179.85 2k2c n ASP 115 N -4.18 2.45 -3.67 3.06 8.00 0.58 -4.87 116.55 117.92 2k2c n ASP 115 Ca 0.03 -1.72 -0.13 0.00 0.71 0.00 0.00 54.79 53.68 2k2c n ASP 115 Cb 0.35 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.31 2k2c n ASP 115 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k2c s PHE 116 N -1.43 -0.46 0.35 1.24 5.36 0.15 -1.62 117.98 121.57 2k2c s PHE 116 Ca 0.20 1.03 0.04 0.00 -0.96 0.00 0.00 56.93 57.25 2k2c s PHE 116 Cb 0.14 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.81 2k2c s PHE 116 CO 0.22 -0.36 0.18 -0.59 -1.46 0.00 0.00 175.22 173.21 2k2c s PHE 117 N 2.30 1.72 -0.26 10.12 -0.71 -0.52 -4.10 117.98 126.53 2k2c s PHE 117 Ca -0.00 -1.41 -0.08 0.00 -1.04 0.00 0.00 56.93 54.39 2k2c s PHE 117 Cb -0.12 -0.94 -0.03 0.00 -1.21 0.00 0.00 43.02 40.72 2k2c s PHE 117 CO -0.09 -0.52 0.10 -1.58 -1.34 0.00 0.00 175.22 171.79 2k2c s HIS 118 N -3.41 3.12 -0.37 3.49 5.65 -1.26 -1.08 115.29 121.43 2k2c s HIS 118 Ca 0.32 -0.38 -0.29 0.00 0.25 0.00 0.00 55.06 54.96 2k2c s HIS 118 Cb 0.03 -2.28 0.01 0.00 -1.18 0.00 0.00 32.58 29.16 2k2c s HIS 118 CO 0.19 -0.35 1.38 0.00 -0.65 0.00 0.00 174.74 175.31 2k2c h LEU 120 N 11.79 0.70 -5.97 0.00 3.38 -1.98 -2.29 115.31 120.95 2k2c h LEU 120 Ca -0.27 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 56.97 2k2c h LEU 120 Cb 1.10 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 2k2c h LEU 120 CO 1.07 0.47 2.31 0.29 0.09 0.00 0.00 178.44 182.67 2k2c n LYS 121 N -4.69 4.13 -3.65 1.13 5.02 -1.26 -4.79 118.16 114.05 2k2c n LYS 121 Ca 0.09 -3.44 -0.02 0.00 -2.02 0.00 0.00 58.31 52.92 2k2c n LYS 121 Cb 0.14 -2.77 -0.07 0.00 -0.02 0.00 0.00 35.03 32.31 2k2c n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k2c n ASN 123 N 1.53 4.61 -3.61 0.00 6.94 -1.26 -4.72 115.26 118.75 2k2c n ASN 123 Ca -0.10 -2.74 -0.14 0.00 -0.02 0.00 0.00 54.58 51.57 2k2c n ASN 123 Cb 0.57 -0.83 -0.06 0.00 -2.36 0.00 0.00 39.78 37.10 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2k2c s LEU 124 N -1.31 0.03 -0.08 -4.53 2.96 -1.26 -5.11 118.68 109.37 2k2c s LEU 124 Ca 0.23 0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 54.12 2k2c s LEU 124 Cb 0.18 2.02 -0.03 0.00 0.50 0.00 0.00 46.19 48.86 2k2c s LEU 124 CO 0.02 -0.66 0.72 0.00 -1.32 0.00 0.00 176.35 175.12 2k2c s LEU 126 N 0.99 2.73 0.38 0.00 2.01 -0.24 -4.94 118.68 119.60 2k2c s LEU 126 Ca 0.38 -1.39 -0.16 0.00 0.01 0.00 0.00 54.13 52.97 2k2c s LEU 126 Cb -0.18 -0.99 -0.09 0.00 0.01 0.00 0.00 46.19 44.95 2k2c s LEU 126 CO 0.18 -0.66 0.82 0.00 1.01 0.00 0.00 176.35 177.70 2k2c s ALA 127 N -2.75 3.23 -0.78 4.21 0.00 -1.26 -1.43 121.76 122.99 2k2c s ALA 127 Ca 0.27 0.12 0.24 0.00 0.00 0.00 0.00 51.96 52.59 2k2c s ALA 127 Cb 0.05 -2.89 0.92 0.00 0.00 0.00 0.00 23.12 21.20 2k2c s ALA 127 CO 0.14 0.19 1.74 -0.12 0.00 0.00 0.00 175.76 177.71 2k2c n MET 128 N -0.65 0.13 0.07 0.00 1.56 -0.64 -1.24 117.12 116.35 2k2c n MET 128 Ca 0.05 0.23 -0.11 0.00 -0.27 0.00 0.00 57.70 57.60 2k2c n MET 128 Cb 0.54 -1.70 -0.13 0.00 2.15 0.00 0.00 33.22 34.08 2k2c n MET 128 CO 0.00 0.00 0.00 -0.97 -0.73 0.00 0.00 175.97 174.27 2k2c h ASN 129 N 0.00 0.18 0.88 6.12 -0.73 -1.94 -3.34 115.58 116.74 2k2c h ASN 129 Ca 0.00 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 57.97 2k2c h ASN 129 Cb 0.49 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.02 2k2c h ASN 129 CO 0.00 1.16 -0.20 -0.11 -0.37 0.00 0.00 177.43 177.91 2k2c n LEU 130 N -3.40 0.29 -4.75 0.34 7.94 -0.38 -4.93 117.00 112.12 2k2c n LEU 130 Ca -0.06 0.33 -0.40 0.00 -1.11 0.00 0.00 56.01 54.77 2k2c n LEU 130 Cb 0.99 -0.38 0.01 0.00 0.53 0.00 0.00 43.42 44.57 2k2c n LEU 130 CO 0.49 0.02 1.03 0.00 -1.11 0.00 0.00 177.39 177.82 2k2c n GLN 131 N -1.62 2.24 -0.18 1.96 10.64 -0.67 -2.51 117.38 127.25 2k2c n GLN 131 Ca 0.06 0.80 0.00 0.00 -1.83 0.00 0.00 57.00 56.03 2k2c n GLN 131 Cb 0.35 -2.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.17 2k2c n GLN 131 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2c n GLY 132 N 0.62 2.42 1.49 2.61 0.00 -1.26 -4.86 105.19 106.21 2k2c n GLY 132 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2k2c n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2c n ARG 133 N -2.00 4.09 -4.35 1.61 1.74 -1.04 -4.93 116.66 111.79 2k2c n ARG 133 Ca 0.00 -3.03 -0.26 0.00 -0.77 0.00 0.00 57.85 53.79 2k2c n ARG 133 Cb 0.00 -2.09 -0.09 0.00 -1.02 0.00 0.00 32.46 29.26 2k2c n ARG 133 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2k2c s HIS 134 N -2.76 2.52 -1.31 -1.55 0.09 -1.26 -5.06 115.29 105.96 2k2c s HIS 134 Ca 0.50 -0.27 -0.17 0.00 -0.00 0.00 0.00 55.06 55.12 2k2c s HIS 134 Cb 0.38 -1.19 0.08 0.00 -0.00 0.00 0.00 32.58 31.85 2k2c s HIS 134 CO 0.13 0.57 1.76 0.36 -0.00 0.00 0.00 174.74 177.56 2k2c n LYS 135 N -0.21 3.19 -2.39 1.40 2.85 -1.26 -4.92 118.16 116.81 2k2c n LYS 135 Ca -0.09 -3.27 -0.43 0.00 -1.05 0.00 0.00 58.31 53.47 2k2c n LYS 135 Cb 0.57 -3.44 0.00 0.00 -0.65 0.00 0.00 35.03 31.51 2k2c n LYS 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35