#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2c n ALA 2 N 0.00 2.09 -2.07 -5.12 0.00 -1.26 -5.11 120.51 109.05 2k2c n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2k2c n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2k2c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2c s ALA 3 N -2.00 3.55 0.22 0.00 0.00 -1.26 -5.02 121.76 117.25 2k2c s ALA 3 Ca 0.00 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 2k2c s ALA 3 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2k2c s ALA 3 CO 0.00 -0.57 0.51 -0.08 0.00 0.00 0.00 175.76 175.61 2k2c s THR 4 N 0.49 0.02 -0.50 0.00 -1.32 -1.26 -5.13 115.64 107.94 2k2c s THR 4 Ca 0.60 -1.09 -0.14 0.00 -1.21 0.00 0.00 61.69 59.85 2k2c s THR 4 Cb -0.37 -1.87 0.11 0.00 -1.51 0.00 0.00 72.50 68.86 2k2c s THR 4 CO 0.35 -0.08 0.43 0.00 -2.21 0.00 0.00 174.62 173.11 2k2c s ALA 5 N -3.94 3.55 0.39 11.08 0.00 -1.26 -5.08 121.76 126.51 2k2c s ALA 5 Ca 0.15 -2.39 -0.00 0.00 0.00 0.00 0.00 51.96 49.72 2k2c s ALA 5 Cb -0.01 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2k2c s ALA 5 CO 0.03 -1.89 0.61 1.03 0.00 0.00 0.00 175.76 175.54 2k2c s ARG 6 N 1.56 3.35 -0.09 0.00 0.52 -1.26 -5.03 118.95 118.00 2k2c s ARG 6 Ca 0.04 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 2k2c s ARG 6 Cb -0.27 -2.60 -0.06 0.00 0.52 0.00 0.00 34.95 32.54 2k2c s ARG 6 CO 0.03 -0.02 1.79 -2.00 0.02 0.00 0.00 175.30 175.12 2k2c s GLU 7 N -4.44 3.97 0.00 3.54 2.12 -1.26 -4.87 118.70 117.76 2k2c s GLU 7 Ca 0.43 2.17 0.12 0.00 0.36 0.00 0.00 54.97 58.05 2k2c s GLU 7 Cb -0.10 -4.09 0.28 0.00 0.26 0.00 0.00 34.13 30.48 2k2c s GLU 7 CO 0.37 -1.12 1.18 -0.40 -0.54 0.00 0.00 175.26 174.76 2k2c n ASP 8 N 8.04 2.77 -4.57 -1.70 5.75 -1.26 -4.94 116.55 120.64 2k2c n ASP 8 Ca 0.20 -1.87 -0.26 0.00 -0.01 0.00 0.00 54.79 52.84 2k2c n ASP 8 Cb 0.43 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 2k2c n ASP 8 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2k2c s GLY 9 N -1.01 0.03 -1.14 6.12 0.00 -1.26 -4.89 107.32 105.17 2k2c s GLY 9 Ca 0.23 -1.85 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 2k2c s GLY 9 CO 0.17 3.62 1.42 0.00 0.00 0.00 0.00 173.10 178.30 2k2c s ALA 10 N 11.35 3.63 -0.59 3.20 0.00 -1.26 -4.98 121.76 133.11 2k2c s ALA 10 Ca 0.71 -3.05 -0.28 0.00 0.00 0.00 0.00 51.96 49.33 2k2c s ALA 10 Cb -0.03 -4.23 0.03 0.00 0.00 0.00 0.00 23.12 18.88 2k2c s ALA 10 CO 0.09 -2.99 1.22 0.99 0.00 0.00 0.00 175.76 175.08 2k2c s THR 11 N 2.59 3.98 -0.50 0.00 2.01 -1.26 -4.90 115.64 117.56 2k2c s THR 11 Ca 0.43 0.86 0.02 0.00 0.31 0.00 0.00 61.69 63.31 2k2c s THR 11 Cb -0.02 -4.71 0.47 0.00 0.01 0.00 0.00 72.50 68.26 2k2c s THR 11 CO -0.02 -1.35 1.70 0.61 -0.69 0.00 0.00 174.62 174.88 2k2c n GLY 12 N 5.10 5.87 3.57 4.40 0.00 -1.26 -4.96 105.19 117.90 2k2c n GLY 12 Ca 0.09 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 2k2c n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2c s GLU 13 N -3.67 2.86 0.26 1.61 0.41 -1.26 -4.60 118.70 114.32 2k2c s GLU 13 Ca 0.58 -0.88 0.24 0.00 -0.41 0.00 0.00 54.97 54.50 2k2c s GLU 13 Cb 0.47 -5.22 0.43 0.00 -1.78 0.00 0.00 34.13 28.03 2k2c s GLU 13 CO 0.01 -3.25 1.51 1.05 -0.49 0.00 0.00 175.26 174.10 2k2c h GLU 14 N 10.16 0.00 -5.63 1.61 4.11 -2.04 -3.46 114.58 119.34 2k2c h GLU 14 Ca 0.19 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.11 2k2c h GLU 14 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2k2c h GLU 14 CO 1.28 0.00 1.61 -2.13 0.07 0.00 0.00 179.01 179.84 2k2c n ARG 15 N -2.57 1.05 0.00 1.06 0.63 -1.26 -4.58 116.66 110.99 2k2c n ARG 15 Ca 0.04 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2k2c n ARG 15 Cb 0.48 -3.05 0.00 0.00 0.45 0.00 0.00 32.46 30.34 2k2c n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k2c n GLY 16 N 6.10 -1.80 3.78 5.14 0.00 -1.26 -5.16 105.19 111.99 2k2c n GLY 16 Ca 0.40 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.72 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 0.00 4.08 -0.02 1.61 0.74 -1.26 -5.07 119.66 119.74 2k2c s GLN 17 Ca 0.00 1.63 -0.01 0.00 0.05 0.00 0.00 55.36 57.03 2k2c s GLN 17 Cb 0.00 -2.56 0.01 0.00 1.10 0.00 0.00 33.01 31.56 2k2c s GLN 17 CO 0.00 -0.24 0.05 -0.98 -0.55 0.00 0.00 175.29 173.57 2k2c s ARG 18 N -2.46 0.03 0.00 1.67 3.03 -1.26 -5.01 118.95 114.95 2k2c s ARG 18 Ca 0.58 0.11 0.00 0.00 2.03 0.00 0.00 55.73 58.45 2k2c s ARG 18 Cb -0.25 -0.06 0.00 0.00 -1.03 0.00 0.00 34.95 33.61 2k2c s ARG 18 CO 0.31 -0.06 0.00 0.41 -1.13 0.00 0.00 175.30 174.84 2k2c n GLY 19 N 3.42 0.47 3.36 3.88 0.00 -1.11 -4.64 105.19 110.58 2k2c n GLY 19 Ca -0.17 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.46 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 2.34 0.00 0.17 0.00 4.11 -2.02 -2.85 114.58 116.33 2k2c h GLU 21 Ca -0.33 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.75 2k2c h GLU 21 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k2c h GLU 21 CO 0.45 0.00 -1.81 0.45 0.07 0.00 0.00 179.01 178.17 2k2c h HIS 22 N 0.00 0.66 -3.25 2.06 3.86 -2.00 -3.45 115.15 113.03 2k2c h HIS 22 Ca 0.02 -0.48 -0.43 0.00 -1.16 0.00 0.00 60.37 58.32 2k2c h HIS 22 Cb 0.12 -0.03 -0.39 0.00 1.06 0.00 0.00 27.41 28.17 2k2c h HIS 22 CO 0.00 1.71 -0.76 0.71 0.86 0.00 0.00 177.93 180.45 2k2c s TYR 23 N -2.57 0.45 -0.97 2.45 2.02 -1.08 -5.05 117.35 112.60 2k2c s TYR 23 Ca -0.18 -0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 2k2c s TYR 23 Cb 0.06 -0.71 0.08 0.00 -0.40 0.00 0.00 41.96 40.99 2k2c s TYR 23 CO 0.83 -0.34 1.32 -0.51 -1.57 0.00 0.00 175.55 175.28 2k2c s ASP 24 N 2.05 6.52 -0.00 2.29 1.01 -1.24 -2.18 116.67 125.12 2k2c s ASP 24 Ca 0.04 -1.60 -0.06 0.00 0.71 0.00 0.00 52.55 51.65 2k2c s ASP 24 Cb -0.13 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 2k2c s ASP 24 CO -0.05 -1.37 0.11 0.00 0.21 0.00 0.00 175.17 174.06 2k2c s ARG 25 N 4.21 0.39 -0.07 8.23 1.70 -1.26 -2.83 118.95 129.32 2k2c s ARG 25 Ca 0.40 -0.32 0.02 0.00 -0.47 0.00 0.00 55.73 55.36 2k2c s ARG 25 Cb -0.02 0.16 0.17 0.00 -0.57 0.00 0.00 34.95 34.69 2k2c s ARG 25 CO -0.08 -0.09 0.95 0.41 -1.08 0.00 0.00 175.30 175.41 2k2c n GLY 26 N 1.77 2.12 3.28 3.88 0.00 -0.41 -2.75 105.19 113.08 2k2c n GLY 26 Ca -0.21 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.73 4.10 -0.03 0.00 1.43 -0.42 -4.71 118.68 117.31 2k2c s LEU 28 Ca -0.08 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2k2c s LEU 28 Cb -0.02 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2k2c s LEU 28 CO 0.00 0.29 1.09 -0.76 0.23 0.00 0.00 176.35 177.20 2k2c s LEU 29 N -1.70 4.32 -0.46 1.79 1.43 0.13 -1.56 118.68 122.63 2k2c s LEU 29 Ca 0.23 1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 54.83 2k2c s LEU 29 Cb -0.12 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2k2c s LEU 29 CO 0.14 -0.43 0.91 -0.75 0.23 0.00 0.00 176.35 176.44 2k2c s LYS 30 N 1.57 3.51 -0.33 1.70 2.20 -0.55 -1.27 119.74 126.57 2k2c s LYS 30 Ca 0.54 0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 2k2c s LYS 30 Cb -0.23 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.15 2k2c s LYS 30 CO 0.24 -1.22 1.56 0.00 -0.36 0.00 0.00 175.35 175.57 2k2c s ALA 31 N 3.70 3.08 -0.04 3.13 0.00 -0.24 -4.03 121.76 127.36 2k2c s ALA 31 Ca 0.36 0.14 0.31 0.00 0.00 0.00 0.00 51.96 52.77 2k2c s ALA 31 Cb -0.10 -3.92 1.25 0.00 0.00 0.00 0.00 23.12 20.34 2k2c s ALA 31 CO 0.26 -2.29 1.92 -1.00 0.00 0.00 0.00 175.76 174.65 2k2c h PRO 32 N 11.16 0.00 0.00 0.00 0.13 -1.88 0.43 132.00 141.85 2k2c h PRO 32 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 2k2c h PRO 32 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2k2c h PRO 32 CO 1.04 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 178.65 2k2c n ASP 35 N -0.89 -4.63 -4.77 0.00 9.92 0.15 -4.99 116.55 111.33 2k2c n ASP 35 Ca 0.00 0.30 -0.24 0.00 -0.53 0.00 0.00 54.79 54.32 2k2c n ASP 35 Cb 0.00 -4.08 -0.05 0.00 -0.64 0.00 0.00 41.12 36.35 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 -4.00 2.75 -0.23 -1.24 1.02 -1.20 -4.89 119.74 111.95 2k2c s LYS 36 Ca 0.00 -1.08 -0.05 0.00 0.02 0.00 0.00 55.97 54.86 2k2c s LYS 36 Cb 0.00 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2k2c s LYS 36 CO 0.00 0.42 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.33 2k2c s LEU 37 N -3.54 3.03 -0.05 3.17 2.01 -1.26 -1.08 118.68 120.96 2k2c s LEU 37 Ca 0.32 -0.34 -0.02 0.00 0.01 0.00 0.00 54.13 54.09 2k2c s LEU 37 Cb -0.08 -1.79 0.03 0.00 0.01 0.00 0.00 46.19 44.37 2k2c s LEU 37 CO 0.23 -0.02 0.08 -0.31 1.01 0.00 0.00 176.35 177.34 2k2c s TYR 38 N 1.51 -0.01 0.39 0.29 2.02 -0.39 -4.92 117.35 116.24 2k2c s TYR 38 Ca 0.06 0.31 0.14 0.00 -0.37 0.00 0.00 57.07 57.21 2k2c s TYR 38 Cb -0.14 -0.35 0.98 0.00 -0.40 0.00 0.00 41.96 42.04 2k2c s TYR 38 CO -0.01 -0.18 1.85 1.15 -1.57 0.00 0.00 175.55 176.79 2k2c h THR 39 N 6.36 0.73 -4.18 -0.71 2.02 -1.84 0.41 112.91 115.70 2k2c h THR 39 Ca -0.23 -0.18 -0.64 0.00 0.77 0.00 0.00 66.41 66.13 2k2c h THR 39 Cb 1.12 0.16 -0.25 0.00 -1.74 0.00 0.00 68.15 67.44 2k2c h THR 39 CO 0.25 0.09 -0.86 0.00 0.37 0.00 0.00 175.52 175.37 2k2c h ARG 41 N 4.65 0.44 0.01 0.00 0.11 -1.88 -2.97 114.38 114.73 2k2c h ARG 41 Ca -0.46 -0.05 -0.19 0.00 0.10 0.00 0.00 59.98 59.38 2k2c h ARG 41 Cb 1.15 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 2k2c h ARG 41 CO 0.43 0.37 -0.89 1.37 0.10 0.00 0.00 179.97 181.35 2k2c h LEU 42 N 0.44 0.16 -1.04 0.08 8.10 -1.96 -2.90 115.31 118.18 2k2c h LEU 42 Ca 0.11 -0.14 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 2k2c h LEU 42 Cb 0.10 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.26 2k2c h LEU 42 CO -0.01 0.97 -0.20 0.00 -4.11 0.00 0.00 178.44 175.09 2k2c h HIS 44 N 0.00 -0.05 -0.99 0.00 -0.00 -1.52 -3.35 115.15 109.24 2k2c h HIS 44 Ca -0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 2k2c h HIS 44 Cb 0.76 0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 28.12 2k2c h HIS 44 CO 0.00 0.41 0.64 0.22 -0.00 0.00 0.00 177.93 179.20 2k2c h ASP 45 N -0.53 1.02 -1.01 3.26 3.58 -1.24 -2.01 116.42 119.50 2k2c h ASP 45 Ca -0.01 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.52 2k2c h ASP 45 Cb 0.48 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.25 2k2c h ASP 45 CO 0.01 0.66 0.65 -1.13 -2.88 0.00 0.00 179.24 176.55 2k2c h ASN 46 N 1.16 1.03 0.53 2.28 -1.24 -1.38 -3.11 115.58 114.85 2k2c h ASN 46 Ca 0.42 0.01 -0.28 0.00 0.71 0.00 0.00 56.30 57.17 2k2c h ASN 46 Cb 0.16 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 38.96 2k2c h ASN 46 CO -0.16 0.64 -1.65 0.78 -1.29 0.00 0.00 177.43 175.75 2k2c h ASN 47 N 1.16 0.00 -1.36 1.15 2.35 -1.57 -3.48 115.58 113.83 2k2c h ASN 47 Ca 0.44 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.67 2k2c h ASN 47 Cb 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 2k2c h ASN 47 CO -0.18 0.96 -0.39 -1.61 -1.65 0.00 0.00 177.43 174.55 2k2c s GLU 48 N -2.63 2.40 0.13 0.81 2.02 -0.80 -5.05 118.70 115.57 2k2c s GLU 48 Ca -0.04 -1.70 -0.01 0.00 0.02 0.00 0.00 54.97 53.24 2k2c s GLU 48 Cb 0.08 -2.23 -0.12 0.00 0.10 0.00 0.00 34.13 31.96 2k2c s GLU 48 CO 0.82 -0.26 1.29 -0.44 0.02 0.00 0.00 175.26 176.70 2k2c h ASP 49 N 1.07 0.36 -2.39 -0.19 3.32 -1.89 -3.45 116.42 113.24 2k2c h ASP 49 Ca -0.41 -0.32 -0.53 0.00 0.02 0.00 0.00 57.03 55.79 2k2c h ASP 49 Cb 1.27 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 2k2c h ASP 49 CO 0.60 1.16 -0.55 -1.38 -1.72 0.00 0.00 179.24 177.35 2k2c s HIS 50 N -3.05 3.08 0.04 4.55 -3.43 -1.26 -5.12 115.29 110.10 2k2c s HIS 50 Ca -0.04 -0.09 -0.10 0.00 -0.80 0.00 0.00 55.06 54.04 2k2c s HIS 50 Cb 0.09 -1.42 -0.05 0.00 -1.43 0.00 0.00 32.58 29.77 2k2c s HIS 50 CO 0.85 0.53 0.36 -1.14 -2.00 0.00 0.00 174.74 173.34 2k2c s GLN 51 N -3.55 3.72 0.13 -0.38 0.74 -1.26 -4.39 119.66 114.67 2k2c s GLN 51 Ca 0.32 0.13 -0.15 0.00 0.05 0.00 0.00 55.36 55.72 2k2c s GLN 51 Cb -0.08 -3.05 -0.07 0.00 1.10 0.00 0.00 33.01 30.90 2k2c s GLN 51 CO 0.24 0.61 0.54 -1.17 -0.55 0.00 0.00 175.29 174.95 2k2c s LEU 52 N -1.74 4.37 -0.04 3.68 0.20 -1.25 -4.99 118.68 118.92 2k2c s LEU 52 Ca 0.30 1.08 0.05 0.00 0.69 0.00 0.00 54.13 56.24 2k2c s LEU 52 Cb -0.14 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2k2c s LEU 52 CO 0.16 0.14 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.58 2k2c s ASP 53 N -1.62 3.86 0.00 3.68 -1.08 -1.26 -4.70 116.67 115.55 2k2c s ASP 53 Ca 0.36 -0.26 0.19 0.00 -0.52 0.00 0.00 52.55 52.33 2k2c s ASP 53 Cb -0.15 -0.75 0.83 0.00 -1.46 0.00 0.00 42.92 41.39 2k2c s ASP 53 CO 0.19 0.33 1.62 -2.11 0.52 0.00 0.00 175.17 175.72 2k2c n ARG 54 N 2.26 0.01 0.10 4.34 0.00 -1.26 -1.84 116.66 120.27 2k2c n ARG 54 Ca -0.17 0.16 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 2k2c n ARG 54 Cb 0.52 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.48 2k2c n ARG 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2k2c h PHE 55 N 0.00 0.00 0.03 2.89 0.04 -1.78 -3.37 116.94 114.76 2k2c h PHE 55 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2k2c h PHE 55 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 2k2c h PHE 55 CO 0.00 0.21 -1.06 0.87 -0.60 0.00 0.00 178.31 177.73 2k2c h LYS 56 N 0.00 0.08 -7.01 1.51 1.79 -1.71 -3.45 116.57 107.77 2k2c h LYS 56 Ca -0.05 -0.13 -0.52 0.00 -2.18 0.00 0.00 60.65 57.78 2k2c h LYS 56 Cb 1.20 0.05 0.09 0.00 -1.58 0.00 0.00 32.23 31.98 2k2c h LYS 56 CO 0.02 1.05 0.53 0.14 -1.08 0.00 0.00 179.45 180.11 2k2c s VAL 57 N -2.72 2.76 0.05 0.50 -7.23 -1.23 -4.66 120.40 107.88 2k2c s VAL 57 Ca -0.00 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 2k2c s VAL 57 Cb 0.09 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.74 2k2c s VAL 57 CO 0.84 -0.01 0.00 1.17 -0.31 0.00 0.00 175.10 176.79 2k2c n LYS 58 N -0.64 0.00 -2.45 4.82 3.00 -1.26 -4.95 118.16 116.68 2k2c n LYS 58 Ca 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.14 2k2c n LYS 58 Cb 0.47 -0.40 0.12 0.00 0.00 0.00 0.00 35.03 35.22 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 -2.00 1.49 0.37 1.64 2.02 -1.26 -2.57 118.70 118.40 2k2c s GLU 59 Ca 0.00 -0.95 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 2k2c s GLU 59 Cb 0.00 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 32.03 2k2c s GLU 59 CO 0.00 -1.63 0.63 0.14 0.02 0.00 0.00 175.26 174.42 2k2c s VAL 60 N -3.29 0.00 0.03 2.63 -7.23 0.08 -1.48 120.40 111.13 2k2c s VAL 60 Ca 0.68 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2k2c s VAL 60 Cb -0.05 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 2k2c s VAL 60 CO 0.46 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 175.21 2k2c s GLN 61 N -2.59 0.36 -0.23 4.82 1.03 -0.60 -1.82 119.66 120.64 2k2c s GLN 61 Ca 0.24 -0.63 -0.21 0.00 0.04 0.00 0.00 55.36 54.79 2k2c s GLN 61 Cb -0.03 -0.00 -0.02 0.00 0.03 0.00 0.00 33.01 32.99 2k2c s GLN 61 CO 0.17 -0.02 0.66 0.00 -2.54 0.00 0.00 175.29 173.56 2k2c n ILE 63 N 4.98 3.61 0.01 0.00 5.41 -0.65 -0.42 119.36 132.31 2k2c n ILE 63 Ca -0.00 -2.93 0.00 0.00 1.00 0.00 0.00 62.75 60.82 2k2c n ILE 63 Cb 0.49 -2.61 0.00 0.00 -0.71 0.00 0.00 39.64 36.81 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 5.63 -0.23 -0.11 4.38 2.85 -1.26 -4.77 115.26 121.75 2k2c n ASN 64 Ca 0.57 0.15 -0.13 0.00 -0.11 0.00 0.00 54.58 55.06 2k2c n ASN 64 Cb 0.36 0.39 -0.14 0.00 1.24 0.00 0.00 39.78 41.63 2k2c n ASN 64 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2c n GLU 66 N -2.96 -1.01 -2.38 0.00 1.02 0.44 -5.01 120.64 110.75 2k2c n GLU 66 Ca -0.38 1.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.34 2k2c n GLU 66 Cb 1.09 -5.12 -0.03 0.00 -0.02 0.00 0.00 31.44 27.36 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 -3.25 4.34 -0.31 3.49 2.20 -1.26 -4.81 119.74 120.15 2k2c s LYS 67 Ca 0.00 1.79 -0.27 0.00 -0.36 0.00 0.00 55.97 57.13 2k2c s LYS 67 Cb 0.00 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2k2c s LYS 67 CO 0.00 -0.45 0.95 0.42 -0.36 0.00 0.00 175.35 175.91 2k2c s ILE 68 N 2.05 4.64 0.08 5.43 -1.09 -1.26 -3.06 121.20 127.99 2k2c s ILE 68 Ca 0.59 1.51 -0.07 0.00 -2.23 0.00 0.00 60.65 60.45 2k2c s ILE 68 Cb -0.28 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.30 2k2c s ILE 68 CO 0.25 -0.37 0.15 0.00 -1.23 0.00 0.00 174.94 173.74 2k2c s GLN 69 N 3.33 0.78 0.76 2.79 -2.07 -0.76 -5.00 119.66 119.49 2k2c s GLN 69 Ca 0.40 -0.96 -0.12 0.00 -1.82 0.00 0.00 55.36 52.86 2k2c s GLN 69 Cb -0.13 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 32.15 2k2c s GLN 69 CO 0.14 -0.23 1.12 -3.38 -1.32 0.00 0.00 175.29 171.61 2k2c s HIS 70 N -3.68 2.38 -0.84 9.60 -3.43 -1.26 -0.74 115.29 117.31 2k2c s HIS 70 Ca 0.04 1.60 -0.25 0.00 -0.80 0.00 0.00 55.06 55.64 2k2c s HIS 70 Cb 0.04 -3.17 -0.11 0.00 -1.43 0.00 0.00 32.58 27.91 2k2c s HIS 70 CO -0.10 -2.02 2.24 0.00 -2.00 0.00 0.00 174.74 172.86 2k2c s ALA 71 N -2.62 1.03 0.36 -1.38 0.00 -1.06 -4.68 121.76 113.41 2k2c s ALA 71 Ca 0.65 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2k2c s ALA 71 Cb -0.20 -4.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.30 2k2c s ALA 71 CO 0.51 -5.56 0.21 -1.14 0.00 0.00 0.00 175.76 169.78 2k2c s GLN 72 N 8.20 2.43 -0.02 0.00 0.74 -1.26 -5.00 119.66 124.76 2k2c s GLN 72 Ca 0.84 -1.54 0.09 0.00 0.05 0.00 0.00 55.36 54.79 2k2c s GLN 72 Cb -0.10 -2.23 -0.23 0.00 1.10 0.00 0.00 33.01 31.55 2k2c s GLN 72 CO 0.05 0.03 0.77 0.37 -0.55 0.00 0.00 175.29 175.96 2k2c h GLN 73 N 1.41 0.04 -5.65 1.67 4.15 -1.97 -3.45 115.11 111.32 2k2c h GLN 73 Ca -0.43 -0.07 -0.53 0.00 0.77 0.00 0.00 58.65 58.38 2k2c h GLN 73 Cb 1.25 0.03 -0.28 0.00 0.21 0.00 0.00 27.48 28.70 2k2c h GLN 73 CO 0.62 0.69 -0.83 0.99 -1.93 0.00 0.00 178.83 178.38 2k2c s THR 74 N -2.62 1.36 -0.32 2.39 2.01 -1.26 -1.55 115.64 115.65 2k2c s THR 74 Ca -0.05 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 2k2c s THR 74 Cb 0.08 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.44 2k2c s THR 74 CO 0.82 0.27 0.93 0.00 -0.69 0.00 0.00 174.62 175.95 2k2c h GLU 76 N 8.14 0.53 0.00 0.00 9.09 -1.97 0.26 114.58 130.63 2k2c h GLU 76 Ca -0.22 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.15 2k2c h GLU 76 Cb 1.08 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 2k2c h GLU 76 CO 0.96 0.35 -0.43 1.05 0.05 0.00 0.00 179.01 180.99 2k2c h GLU 77 N 0.54 0.00 0.00 1.06 9.09 -1.99 -3.35 114.58 119.93 2k2c h GLU 77 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 2k2c h GLU 77 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 2k2c h GLU 77 CO -0.28 0.00 -0.03 0.00 0.05 0.00 0.00 179.01 178.75 2k2c n SER 79 N -0.67 -5.66 -4.77 0.00 2.88 0.92 -5.00 113.62 101.33 2k2c n SER 79 Ca 0.00 -0.23 -0.37 0.00 -1.33 0.00 0.00 58.87 56.94 2k2c n SER 79 Cb 0.00 -4.51 -0.06 0.00 -0.75 0.00 0.00 64.21 58.88 2k2c n SER 79 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k2c s THR 80 N -3.09 5.22 0.28 2.46 2.01 -1.23 -4.81 115.64 116.47 2k2c s THR 80 Ca 0.24 0.68 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 2k2c s THR 80 Cb -0.10 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 2k2c s THR 80 CO 0.29 0.45 1.04 -0.22 -0.69 0.00 0.00 174.62 175.49 2k2c s LEU 81 N -0.04 4.55 -0.00 4.42 2.96 -1.26 -1.50 118.68 127.81 2k2c s LEU 81 Ca 0.20 2.13 -0.18 0.00 -0.22 0.00 0.00 54.13 56.07 2k2c s LEU 81 Cb -0.14 -3.67 -0.34 0.00 0.50 0.00 0.00 46.19 42.53 2k2c s LEU 81 CO 0.08 -0.06 0.95 -0.26 -1.32 0.00 0.00 176.35 175.73 2k2c h PHE 82 N 3.81 0.83 -1.24 5.38 -1.00 -1.59 -3.35 116.94 119.78 2k2c h PHE 82 Ca -0.46 -0.61 0.18 0.00 2.81 0.00 0.00 57.97 59.89 2k2c h PHE 82 Cb 1.21 -0.03 -0.27 0.00 3.61 0.00 0.00 35.95 40.47 2k2c h PHE 82 CO 0.60 1.48 0.80 0.20 -1.61 0.00 0.00 178.31 179.78 2k2c s GLY 83 N -4.56 -0.01 0.14 -1.45 0.00 -1.26 -1.29 107.32 98.88 2k2c s GLY 83 Ca -0.11 2.64 -0.19 0.00 0.00 0.00 0.00 44.72 47.06 2k2c s GLY 83 CO 0.90 1.19 1.69 0.83 0.00 0.00 0.00 173.10 177.72 2k2c h GLU 84 N 2.41 -0.02 -5.90 2.90 4.39 -1.59 -3.39 114.58 113.38 2k2c h GLU 84 Ca -0.14 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.99 2k2c h GLU 84 Cb 1.18 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.77 2k2c h GLU 84 CO 0.24 -0.02 0.09 -0.47 -1.16 0.00 0.00 179.01 177.69 2k2c s TYR 85 N -6.20 3.51 -0.04 4.33 5.04 -0.01 -4.82 117.35 119.16 2k2c s TYR 85 Ca -0.14 1.12 0.06 0.00 -2.44 0.00 0.00 57.07 55.68 2k2c s TYR 85 Cb 0.11 -2.78 -0.02 0.00 0.35 0.00 0.00 41.96 39.62 2k2c s TYR 85 CO 0.69 0.01 -0.23 -0.47 -1.34 0.00 0.00 175.55 174.21 2k2c s TYR 86 N 1.14 2.44 -0.18 4.97 5.04 -1.26 -2.53 117.35 126.96 2k2c s TYR 86 Ca 0.34 -0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 54.46 2k2c s TYR 86 Cb -0.17 -1.56 0.09 0.00 0.35 0.00 0.00 41.96 40.67 2k2c s TYR 86 CO 0.15 -0.05 0.27 0.00 -1.34 0.00 0.00 175.55 174.58 2k2c h ASP 88 N 8.27 0.85 -0.22 0.00 2.03 -1.94 -0.18 116.42 125.22 2k2c h ASP 88 Ca -0.16 -0.78 -0.16 0.00 -0.73 0.00 0.00 57.03 55.19 2k2c h ASP 88 Cb 1.14 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 2k2c h ASP 88 CO 0.22 1.52 -0.50 0.40 -1.03 0.00 0.00 179.24 179.86 2k2c h ILE 89 N 0.27 1.30 0.00 4.15 2.04 -1.98 -2.97 117.51 120.32 2k2c h ILE 89 Ca -0.15 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 63.97 2k2c h ILE 89 Cb 1.73 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 2k2c h ILE 89 CO 0.21 0.54 -0.18 0.00 0.00 0.00 0.00 178.15 178.72 2k2c n HIS 91 N -3.15 0.00 -2.95 0.00 8.25 -0.08 -4.46 115.22 112.83 2k2c n HIS 91 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 2k2c n HIS 91 Cb 0.59 -1.06 -0.05 0.00 1.12 0.00 0.00 29.99 30.59 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 0.00 4.11 0.01 2.41 0.05 -1.23 -4.93 118.68 119.09 2k2c s LEU 92 Ca 0.00 1.00 0.07 0.00 0.05 0.00 0.00 54.13 55.25 2k2c s LEU 92 Cb 0.00 -3.12 -0.03 0.00 -2.05 0.00 0.00 46.19 40.99 2k2c s LEU 92 CO 0.00 -0.44 -0.19 -0.36 -0.55 0.00 0.00 176.35 174.80 2k2c s PHE 93 N 2.53 2.53 0.28 3.48 0.08 -1.26 -3.74 117.98 121.87 2k2c s PHE 93 Ca 0.34 -0.28 -0.21 0.00 0.12 0.00 0.00 56.93 56.90 2k2c s PHE 93 Cb -0.16 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 2k2c s PHE 93 CO 0.09 0.18 0.79 0.34 -0.10 0.00 0.00 175.22 176.52 2k2c s ASP 94 N -1.16 -0.17 0.70 1.36 2.15 -1.05 -4.48 116.67 114.01 2k2c s ASP 94 Ca 0.13 -0.70 -0.16 0.00 0.43 0.00 0.00 52.55 52.25 2k2c s ASP 94 Cb -0.10 0.71 0.02 0.00 -0.30 0.00 0.00 42.92 43.24 2k2c s ASP 94 CO 0.03 -1.33 1.22 -0.54 -0.17 0.00 0.00 175.17 174.38 2k2c s LYS 95 N -3.37 2.30 -0.48 4.34 1.02 -1.13 -0.83 119.74 121.59 2k2c s LYS 95 Ca 0.13 1.82 -0.28 0.00 0.02 0.00 0.00 55.97 57.65 2k2c s LYS 95 Cb -0.05 -1.85 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 2k2c s LYS 95 CO 0.07 -1.72 1.10 0.34 -0.92 0.00 0.00 175.35 174.22 2k2c s ASP 96 N -1.88 6.60 0.00 2.83 2.15 -1.26 -4.48 116.67 120.63 2k2c s ASP 96 Ca 0.76 0.38 0.00 0.00 0.43 0.00 0.00 52.55 54.12 2k2c s ASP 96 Cb -0.31 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 2k2c s ASP 96 CO 0.43 -1.23 0.00 0.29 -0.17 0.00 0.00 175.17 174.49 2k2c n LYS 97 N 7.76 0.00 0.00 4.34 5.02 -1.26 -5.03 118.16 128.99 2k2c n LYS 97 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2k2c n LYS 97 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 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 0.00 -0.01 -2.04 1.97 5.02 -1.26 -5.10 118.16 116.74 2k2c n LYS 98 Ca 0.00 -0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.75 2k2c n LYS 98 Cb 0.00 -0.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.47 2k2c n LYS 98 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2k2c s GLN 99 N -0.01 4.28 -0.03 1.97 0.00 -1.24 -3.36 119.66 121.27 2k2c s GLN 99 Ca 0.00 2.30 0.05 0.00 -0.00 0.00 0.00 55.36 57.70 2k2c s GLN 99 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 33.01 29.97 2k2c s GLN 99 CO 0.00 -0.29 -0.16 1.52 0.00 0.00 0.00 175.29 176.36 2k2c s TYR 100 N -1.14 1.53 -0.52 9.60 1.13 -1.25 -4.94 117.35 121.76 2k2c s TYR 100 Ca 0.50 -0.35 -0.24 0.00 -1.41 0.00 0.00 57.07 55.56 2k2c s TYR 100 Cb -0.41 -1.01 0.04 0.00 -1.10 0.00 0.00 41.96 39.47 2k2c s TYR 100 CO 0.55 -0.08 0.93 -1.58 -2.51 0.00 0.00 175.55 172.86 2k2c s HIS 101 N -0.18 2.84 -0.32 -3.49 2.46 -1.26 -4.16 115.29 111.17 2k2c s HIS 101 Ca 0.02 0.12 -0.28 0.00 0.47 0.00 0.00 55.06 55.39 2k2c s HIS 101 Cb -0.08 -4.03 0.01 0.00 -0.13 0.00 0.00 32.58 28.35 2k2c s HIS 101 CO 0.00 -1.26 1.02 0.00 -2.47 0.00 0.00 174.74 172.04 2k2c h GLU 103 N 8.12 0.00 -0.38 0.00 5.08 -1.93 0.74 114.58 126.21 2k2c h GLU 103 Ca -0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2k2c h GLU 103 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2k2c h GLU 103 CO 1.01 0.68 0.19 -0.91 -1.00 0.00 0.00 179.01 178.98 2k2c h ASN 104 N 0.00 0.49 1.29 1.42 4.21 -1.95 -2.82 115.58 118.22 2k2c h ASN 104 Ca -0.01 -0.11 -0.14 0.00 1.21 0.00 0.00 56.30 57.25 2k2c h ASN 104 Cb 1.21 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 38.26 2k2c h ASN 104 CO 0.09 0.46 -0.73 0.00 -1.29 0.00 0.00 177.43 175.96 2k2c n GLY 106 N 1.28 0.73 3.51 0.00 0.00 0.22 -5.03 105.19 105.91 2k2c n GLY 106 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.62 0.83 -0.01 -0.61 -4.36 -1.02 -4.91 121.20 108.51 2k2c s ILE 107 Ca 0.00 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 2k2c s ILE 107 Cb 0.00 -2.48 -0.00 0.00 1.25 0.00 0.00 42.46 41.23 2k2c s ILE 107 CO 0.00 0.00 0.07 0.00 0.24 0.00 0.00 174.94 175.25 2k2c s ARG 109 N -0.81 0.68 -0.46 0.00 3.00 -1.26 -5.03 118.95 115.07 2k2c s ARG 109 Ca -0.09 -0.58 -0.26 0.00 -1.00 0.00 0.00 55.73 53.79 2k2c s ARG 109 Cb -0.05 0.28 -0.07 0.00 0.00 0.00 0.00 34.95 35.11 2k2c s ARG 109 CO 0.00 -0.19 2.40 -0.89 0.00 0.00 0.00 175.30 176.62 2k2c n ILE 110 N 0.78 -0.03 -3.50 4.11 2.08 -1.26 -4.14 119.36 117.40 2k2c n ILE 110 Ca -0.19 -0.74 -0.02 0.00 0.56 0.00 0.00 62.75 62.36 2k2c n ILE 110 Cb 0.58 -2.74 -0.05 0.00 -0.75 0.00 0.00 39.64 36.69 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 11.65 -0.70 -0.18 7.39 0.00 -1.26 -4.95 107.32 119.26 2k2c s GLY 111 Ca 0.99 1.96 -0.29 0.00 0.00 0.00 0.00 44.72 47.38 2k2c s GLY 111 CO 0.28 2.99 1.65 2.56 0.00 0.00 0.00 173.10 180.58 2k2c s PRO 112 N 2.81 3.85 0.58 2.90 0.04 -1.26 -3.68 135.00 140.25 2k2c s PRO 112 Ca 0.03 1.79 0.28 0.00 0.04 0.00 0.00 61.00 63.14 2k2c s PRO 112 Cb -0.13 -4.04 1.65 0.00 0.04 0.00 0.00 34.50 32.02 2k2c s PRO 112 CO -0.18 -1.23 2.12 1.57 0.04 0.00 0.00 177.00 179.33 2k2c h LYS 113 N 10.63 0.00 0.00 4.56 2.10 -1.70 0.23 116.57 132.39 2k2c h LYS 113 Ca -0.35 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.22 2k2c h LYS 113 Cb 1.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 2k2c h LYS 113 CO 0.99 0.00 -0.39 1.05 -2.00 0.00 0.00 179.45 179.10 2k2c h GLU 114 N 0.00 0.00 0.00 0.07 9.09 -1.91 -3.36 114.58 118.48 2k2c h GLU 114 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 2k2c h GLU 114 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 2k2c h GLU 114 CO -0.00 0.39 -0.86 -3.47 0.05 0.00 0.00 179.01 175.12 2k2c n ASP 115 N -4.07 1.86 -4.62 3.06 -0.08 -0.27 -4.95 116.55 107.48 2k2c n ASP 115 Ca -0.02 0.40 -0.42 0.00 -1.51 0.00 0.00 54.79 53.24 2k2c n ASP 115 Cb 0.42 -0.77 -0.04 0.00 2.34 0.00 0.00 41.12 43.08 2k2c n ASP 115 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2k2c s PHE 116 N -2.71 3.21 0.31 -0.67 5.36 0.65 -1.59 117.98 122.55 2k2c s PHE 116 Ca -0.25 0.91 0.04 0.00 -0.96 0.00 0.00 56.93 56.67 2k2c s PHE 116 Cb 0.03 -3.26 -0.06 0.00 -0.34 0.00 0.00 43.02 39.39 2k2c s PHE 116 CO 0.37 -0.57 0.06 -0.59 -1.46 0.00 0.00 175.22 173.03 2k2c s PHE 117 N 3.03 1.91 -0.18 10.12 -0.71 -0.44 -4.10 117.98 127.62 2k2c s PHE 117 Ca 0.34 -0.98 -0.09 0.00 -1.04 0.00 0.00 56.93 55.17 2k2c s PHE 117 Cb -0.14 -1.23 -0.05 0.00 -1.21 0.00 0.00 43.02 40.39 2k2c s PHE 117 CO 0.12 -0.02 0.11 -1.58 -1.34 0.00 0.00 175.22 172.51 2k2c s HIS 118 N -3.34 3.40 -0.15 3.49 5.65 -1.26 -1.17 115.29 121.90 2k2c s HIS 118 Ca 0.36 0.30 -0.06 0.00 0.25 0.00 0.00 55.06 55.92 2k2c s HIS 118 Cb 0.08 -2.08 -0.04 0.00 -1.18 0.00 0.00 32.58 29.36 2k2c s HIS 118 CO 0.15 0.35 0.05 0.00 -0.65 0.00 0.00 174.74 174.64 2k2c h LEU 120 N 6.08 -0.56-10.17 0.00 4.07 -1.99 -3.38 115.31 109.35 2k2c h LEU 120 Ca -0.42 -0.07 -0.48 0.00 0.08 0.00 0.00 57.88 56.98 2k2c h LEU 120 Cb 1.18 0.14 0.04 0.00 1.08 0.00 0.00 40.66 43.11 2k2c h LEU 120 CO 0.64 -0.23 0.38 -0.54 -1.08 0.00 0.00 178.44 177.61 2k2c s LYS 121 N -4.97 3.56 -0.35 1.13 -0.14 -1.26 -4.40 119.74 113.30 2k2c s LYS 121 Ca -0.15 1.17 -0.07 0.00 -1.36 0.00 0.00 55.97 55.56 2k2c s LYS 121 Cb 0.02 -2.07 0.01 0.00 -1.68 0.00 0.00 37.83 34.11 2k2c s LYS 121 CO 0.53 -0.61 0.27 0.00 -0.76 0.00 0.00 175.35 174.77 2k2c n ASN 123 N 0.22 3.38 -3.10 0.00 4.13 -1.26 -4.51 115.26 114.12 2k2c n ASN 123 Ca 0.05 -2.77 0.00 0.00 1.68 0.00 0.00 54.58 53.54 2k2c n ASN 123 Cb 0.20 -1.46 0.01 0.00 -1.54 0.00 0.00 39.78 37.00 2k2c n ASN 123 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2c n LEU 124 N 7.63 0.00 -4.73 3.41 -0.00 -1.26 -5.03 117.00 117.01 2k2c n LEU 124 Ca 0.50 -0.69 -0.37 0.00 -0.00 0.00 0.00 56.01 55.45 2k2c n LEU 124 Cb 0.41 1.83 -0.07 0.00 -0.00 0.00 0.00 43.42 45.59 2k2c n LEU 124 CO 0.92 -0.23 0.01 0.00 -0.00 0.00 0.00 177.39 178.09 2k2c s LEU 126 N 0.44 2.60 0.62 0.00 2.01 -0.32 -4.94 118.68 119.10 2k2c s LEU 126 Ca 0.18 -0.64 -0.10 0.00 0.01 0.00 0.00 54.13 53.58 2k2c s LEU 126 Cb -0.13 -1.44 -0.03 0.00 0.01 0.00 0.00 46.19 44.60 2k2c s LEU 126 CO 0.05 0.17 1.02 0.00 1.01 0.00 0.00 176.35 178.59 2k2c s ALA 127 N -1.22 3.10 -0.28 4.21 0.00 -1.26 -1.33 121.76 124.98 2k2c s ALA 127 Ca 0.18 -0.19 0.28 0.00 0.00 0.00 0.00 51.96 52.23 2k2c s ALA 127 Cb -0.10 -3.01 0.96 0.00 0.00 0.00 0.00 23.12 20.97 2k2c s ALA 127 CO 0.09 -0.74 1.81 1.98 0.00 0.00 0.00 175.76 178.90 2k2c h MET 128 N -0.33 0.00 -0.02 0.00 4.05 -1.66 -1.44 114.93 115.53 2k2c h MET 128 Ca -0.44 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 58.80 2k2c h MET 128 Cb 1.20 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 2k2c h MET 128 CO 0.62 0.00 -0.79 -0.97 0.23 0.00 0.00 176.91 176.00 2k2c h ASN 129 N 0.00 0.24 1.07 1.39 -1.24 -1.93 -3.25 115.58 111.85 2k2c h ASN 129 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.83 2k2c h ASN 129 Cb 0.63 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.61 2k2c h ASN 129 CO 0.00 0.93 0.00 -0.11 -1.29 0.00 0.00 177.43 176.96 2k2c n LEU 130 N -3.71 0.31 -4.74 0.34 -0.00 -0.59 -4.80 117.00 103.82 2k2c n LEU 130 Ca -0.03 0.54 -0.42 0.00 -0.00 0.00 0.00 56.01 56.10 2k2c n LEU 130 Cb 0.75 -0.45 -0.00 0.00 -0.00 0.00 0.00 43.42 43.72 2k2c n LEU 130 CO 0.47 -0.13 1.04 0.00 -0.00 0.00 0.00 177.39 178.77 2k2c n GLN 131 N -1.80 2.43 -0.15 1.96 6.02 -0.94 -2.17 117.38 122.72 2k2c n GLN 131 Ca 0.06 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 2k2c n GLN 131 Cb 0.34 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.08 2k2c n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2c n GLY 132 N 0.73 0.68 0.59 1.08 0.00 -1.26 -4.91 105.19 102.11 2k2c n GLY 132 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2k2c n GLY 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k2c n ARG 133 N -2.00 0.27 -2.60 1.61 3.00 -0.92 -4.99 116.66 111.03 2k2c n ARG 133 Ca 0.00 0.11 -0.43 0.00 -0.00 0.00 0.00 57.85 57.53 2k2c n ARG 133 Cb 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 32.46 31.48 2k2c n ARG 133 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2k2c s HIS 134 N -2.33 2.77 0.37 -0.14 -3.43 -1.25 -5.03 115.29 106.26 2k2c s HIS 134 Ca -0.16 0.66 -0.27 0.00 -0.80 0.00 0.00 55.06 54.48 2k2c s HIS 134 Cb 0.05 -4.46 -0.10 0.00 -1.43 0.00 0.00 32.58 26.64 2k2c s HIS 134 CO 0.22 -1.33 1.32 0.15 -2.00 0.00 0.00 174.74 173.10 2k2c s LYS 135 N 4.55 4.14 -0.18 -0.38 1.02 -1.26 -4.97 119.74 122.67 2k2c s LYS 135 Ca 0.47 2.22 0.15 0.00 0.02 0.00 0.00 55.97 58.83 2k2c s LYS 135 Cb -0.07 -2.91 0.44 0.00 -0.52 0.00 0.00 37.83 34.77 2k2c s LYS 135 CO 0.31 -0.37 1.19 0.00 -0.92 0.00 0.00 175.35 175.56