#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 2.17 0.00 3.17 0.00 -1.26 -4.36 121.76 121.48 2k2c s ALA 2 Ca 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 51.96 49.91 2k2c s ALA 2 Cb 0.00 -4.60 0.03 0.00 0.00 0.00 0.00 23.12 18.55 2k2c s ALA 2 CO 0.00 -4.46 0.75 0.00 0.00 0.00 0.00 175.76 172.05 2k2c n ALA 3 N 12.21 2.24 -1.56 0.00 0.00 -1.26 -4.88 120.51 127.26 2k2c n ALA 3 Ca 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k2c n ALA 3 Cb 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2k2c n ALA 3 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k2c n THR 4 N 0.03 0.00 0.16 0.00 5.66 -1.26 -4.96 114.28 113.91 2k2c n THR 4 Ca -0.03 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.90 2k2c n THR 4 Cb 0.62 0.59 -0.04 0.00 -1.55 0.00 0.00 70.33 69.96 2k2c n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k2c h ALA 5 N 0.00 -0.50 0.00 1.79 0.00 -1.91 -3.47 119.26 115.17 2k2c h ALA 5 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k2c h ALA 5 Cb 1.13 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k2c h ALA 5 CO 0.00 -0.47 0.00 0.54 0.00 0.00 0.00 179.25 179.32 2k2c n ARG 6 N -4.97 0.00 -0.65 0.00 5.12 -1.26 -4.73 116.66 110.18 2k2c n ARG 6 Ca -0.06 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.87 2k2c n ARG 6 Cb 0.19 -2.08 0.25 0.00 -1.16 0.00 0.00 32.46 29.66 2k2c n ARG 6 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2k2c n GLU 7 N -1.64 3.34 -2.19 5.56 -0.58 -1.26 -4.94 120.64 118.93 2k2c n GLU 7 Ca 0.00 -2.12 -0.43 0.00 -0.42 0.00 0.00 57.16 54.20 2k2c n GLU 7 Cb 0.00 -1.98 -0.02 0.00 -0.57 0.00 0.00 31.44 28.86 2k2c n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k2c s ASP 8 N -0.53 6.62 0.00 1.62 1.01 -1.26 -4.87 116.67 119.26 2k2c s ASP 8 Ca 0.37 1.76 0.00 0.00 0.71 0.00 0.00 52.55 55.39 2k2c s ASP 8 Cb 0.29 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.68 2k2c s ASP 8 CO 0.10 -1.03 0.00 0.61 0.21 0.00 0.00 175.17 175.06 2k2c n GLY 9 N 4.24 -0.63 3.37 0.21 0.00 -1.26 -5.18 105.19 105.93 2k2c n GLY 9 Ca 0.17 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.00 2.24 -0.02 4.61 0.00 -1.26 -5.16 121.76 121.17 2k2c s ALA 10 Ca 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 51.96 50.40 2k2c s ALA 10 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2k2c s ALA 10 CO 0.00 0.28 -0.10 0.95 0.00 0.00 0.00 175.76 176.89 2k2c s THR 11 N -2.08 3.43 -0.34 0.00 -4.23 -1.26 -5.05 115.64 106.12 2k2c s THR 11 Ca 0.19 -0.74 0.07 0.00 -1.18 0.00 0.00 61.69 60.03 2k2c s THR 11 Cb -0.06 -2.43 0.48 0.00 1.34 0.00 0.00 72.50 71.83 2k2c s THR 11 CO 0.08 0.48 1.44 0.61 -0.54 0.00 0.00 174.62 176.70 2k2c n GLY 12 N 1.89 5.52 3.56 3.99 0.00 -1.26 -4.99 105.19 113.90 2k2c n GLY 12 Ca -0.16 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.44 3.47 0.30 1.61 0.41 -1.26 -4.99 118.70 114.81 2k2c s GLU 13 Ca 0.49 -0.91 -0.28 0.00 -0.41 0.00 0.00 54.97 53.86 2k2c s GLU 13 Cb 0.42 -5.12 -0.09 0.00 -1.78 0.00 0.00 34.13 27.56 2k2c s GLU 13 CO 0.00 -2.25 1.09 -1.83 -0.49 0.00 0.00 175.26 171.79 2k2c s GLU 14 N 5.21 4.54 -0.05 1.61 -1.05 -1.26 -5.06 118.70 122.65 2k2c s GLU 14 Ca 0.45 1.75 -0.21 0.00 -0.15 0.00 0.00 54.97 56.82 2k2c s GLU 14 Cb -0.02 -3.06 0.04 0.00 -0.44 0.00 0.00 34.13 30.65 2k2c s GLU 14 CO -0.05 0.14 0.46 0.50 0.95 0.00 0.00 175.26 177.26 2k2c s ARG 15 N -1.65 0.79 0.23 -4.83 3.52 -1.26 -5.15 118.95 110.60 2k2c s ARG 15 Ca 0.47 0.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.82 2k2c s ARG 15 Cb -0.30 0.36 -0.12 0.00 -1.56 0.00 0.00 34.95 33.34 2k2c s ARG 15 CO 0.39 -0.22 1.67 0.20 -0.81 0.00 0.00 175.30 176.52 2k2c s GLY 16 N -1.10 1.52 -0.06 8.12 0.00 -1.26 -4.97 107.32 109.58 2k2c s GLY 16 Ca -0.11 1.56 -0.16 0.00 0.00 0.00 0.00 44.72 46.01 2k2c s GLY 16 CO 0.06 2.75 0.63 1.46 0.00 0.00 0.00 173.10 178.00 2k2c h GLN 17 N 6.22 -0.27 -2.03 2.90 7.50 -2.01 -3.50 115.11 123.93 2k2c h GLN 17 Ca -0.44 0.02 0.21 0.00 0.50 0.00 0.00 58.65 58.94 2k2c h GLN 17 Cb 1.21 0.06 -0.11 0.00 0.05 0.00 0.00 27.48 28.68 2k2c h GLN 17 CO 0.90 0.03 0.60 -0.98 -1.50 0.00 0.00 178.83 177.89 2k2c s ARG 18 N -2.99 0.85 2.00 1.46 3.03 -1.26 -4.76 118.95 117.29 2k2c s ARG 18 Ca -0.09 -0.44 0.00 0.00 2.03 0.00 0.00 55.73 57.23 2k2c s ARG 18 Cb 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 34.95 34.23 2k2c s ARG 18 CO 0.32 -0.39 0.00 0.41 -1.13 0.00 0.00 175.30 174.52 2k2c n GLY 19 N -0.40 -0.83 3.53 3.88 0.00 -0.71 -4.97 105.19 105.68 2k2c n GLY 19 Ca -0.07 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 2.00 0.00 0.12 0.00 4.11 -2.03 -2.75 114.58 116.03 2k2c h GLU 21 Ca -0.29 -0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.93 2k2c h GLU 21 Cb 1.28 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.54 2k2c h GLU 21 CO 0.33 0.00 -1.00 0.45 0.07 0.00 0.00 179.01 178.87 2k2c h HIS 22 N 0.00 0.46 -3.35 2.06 3.86 -2.00 -3.46 115.15 112.73 2k2c h HIS 22 Ca 0.24 -0.34 -0.38 0.00 -1.16 0.00 0.00 60.37 58.73 2k2c h HIS 22 Cb 0.94 -0.02 -0.37 0.00 1.06 0.00 0.00 27.41 29.02 2k2c h HIS 22 CO -0.00 1.39 -0.75 0.71 0.86 0.00 0.00 177.93 180.14 2k2c s TYR 23 N -2.43 0.26 -0.93 2.45 2.02 -1.04 -5.09 117.35 112.59 2k2c s TYR 23 Ca -0.17 0.09 -0.22 0.00 -0.37 0.00 0.00 57.07 56.41 2k2c s TYR 23 Cb 0.02 -0.53 0.08 0.00 -0.40 0.00 0.00 41.96 41.13 2k2c s TYR 23 CO 0.79 -0.20 1.28 -0.51 -1.57 0.00 0.00 175.55 175.34 2k2c s ASP 24 N 1.80 6.48 0.01 2.29 1.11 -1.25 -0.81 116.67 126.30 2k2c s ASP 24 Ca 0.01 -1.51 -0.06 0.00 0.18 0.00 0.00 52.55 51.16 2k2c s ASP 24 Cb -0.12 -2.50 -0.00 0.00 1.07 0.00 0.00 42.92 41.37 2k2c s ASP 24 CO -0.03 -1.39 0.12 0.00 1.18 0.00 0.00 175.17 175.05 2k2c s ARG 25 N 4.20 0.47 -0.29 8.23 1.70 -1.26 -2.61 118.95 129.39 2k2c s ARG 25 Ca 0.38 -0.43 0.01 0.00 -0.47 0.00 0.00 55.73 55.22 2k2c s ARG 25 Cb -0.04 0.19 0.32 0.00 -0.57 0.00 0.00 34.95 34.85 2k2c s ARG 25 CO -0.06 -0.11 1.69 0.41 -1.08 0.00 0.00 175.30 176.15 2k2c n GLY 26 N 1.44 3.70 3.17 3.88 0.00 -0.72 -1.74 105.19 114.92 2k2c n GLY 26 Ca -0.23 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.56 2.02 -0.21 0.00 1.43 -1.10 -4.61 118.68 113.65 2k2c s LEU 28 Ca 0.01 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 2k2c s LEU 28 Cb 0.03 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2k2c s LEU 28 CO -0.08 0.22 1.83 -0.76 0.23 0.00 0.00 176.35 177.79 2k2c s LEU 29 N -0.12 3.78 -0.52 1.79 1.43 0.75 -1.53 118.68 124.27 2k2c s LEU 29 Ca -0.03 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 2k2c s LEU 29 Cb -0.13 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.59 2k2c s LEU 29 CO 0.03 -1.48 1.23 -0.75 0.23 0.00 0.00 176.35 175.61 2k2c s LYS 30 N 5.22 3.56 -0.50 1.70 2.20 -0.59 -2.17 119.74 129.16 2k2c s LYS 30 Ca 0.82 0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 56.61 2k2c s LYS 30 Cb -0.28 -3.99 0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2k2c s LYS 30 CO 0.33 -1.60 1.14 0.00 -0.36 0.00 0.00 175.35 174.86 2k2c s ALA 31 N 5.00 3.12 -0.65 3.13 0.00 0.03 -4.06 121.76 128.33 2k2c s ALA 31 Ca 0.48 -0.57 0.18 0.00 0.00 0.00 0.00 51.96 52.04 2k2c s ALA 31 Cb -0.08 -3.91 0.79 0.00 0.00 0.00 0.00 23.12 19.91 2k2c s ALA 31 CO 0.29 -2.34 1.54 -0.35 0.00 0.00 0.00 175.76 174.90 2k2c n PRO 32 N 7.94 0.10 0.24 0.00 -0.04 -1.26 0.58 135.00 142.56 2k2c n PRO 32 Ca 0.11 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 2k2c n PRO 32 Cb 0.49 -1.73 0.59 0.00 -0.04 0.00 0.00 33.50 32.80 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 -3.85 -4.93 0.00 9.92 0.20 -4.96 116.55 112.92 2k2c n ASP 35 Ca 0.00 0.31 -0.25 0.00 -0.53 0.00 0.00 54.79 54.32 2k2c n ASP 35 Cb 0.52 -3.50 0.00 0.00 -0.64 0.00 0.00 41.12 37.51 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 -3.57 3.33 -0.29 -1.24 1.02 -1.14 -4.75 119.74 113.10 2k2c s LYS 36 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 55.83 2k2c s LYS 36 Cb 0.00 -2.50 0.06 0.00 -0.52 0.00 0.00 37.83 34.87 2k2c s LYS 36 CO 0.00 -0.18 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.71 2k2c s LEU 37 N -4.60 3.83 -0.00 3.17 2.01 -1.26 -0.79 118.68 121.04 2k2c s LEU 37 Ca 0.46 -1.42 0.00 0.00 0.01 0.00 0.00 54.13 53.19 2k2c s LEU 37 Cb -0.10 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 44.46 2k2c s LEU 37 CO 0.40 -0.25 0.01 -0.31 1.01 0.00 0.00 176.35 177.21 2k2c s TYR 38 N 1.16 0.02 0.45 0.29 2.02 -0.92 -4.91 117.35 115.46 2k2c s TYR 38 Ca -0.05 0.03 0.12 0.00 -0.37 0.00 0.00 57.07 56.80 2k2c s TYR 38 Cb -0.20 -0.06 1.03 0.00 -0.40 0.00 0.00 41.96 42.33 2k2c s TYR 38 CO -0.03 -0.02 2.06 1.15 -1.57 0.00 0.00 175.55 177.13 2k2c h THR 39 N 5.41 1.00 -3.71 -0.71 2.02 -1.86 0.21 112.91 115.28 2k2c h THR 39 Ca -0.29 -0.12 -0.32 0.00 0.77 0.00 0.00 66.41 66.45 2k2c h THR 39 Cb 1.19 0.62 -0.17 0.00 -1.74 0.00 0.00 68.15 68.05 2k2c h THR 39 CO 0.50 0.06 -0.73 0.00 0.37 0.00 0.00 175.52 175.73 2k2c h ARG 41 N 3.47 0.34 0.00 0.00 0.11 -1.89 -2.56 114.38 113.85 2k2c h ARG 41 Ca -0.37 -0.19 -0.18 0.00 0.10 0.00 0.00 59.98 59.33 2k2c h ARG 41 Cb 1.19 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.25 2k2c h ARG 41 CO 0.54 0.76 -0.88 1.37 0.10 0.00 0.00 179.97 181.86 2k2c h LEU 42 N 0.27 0.00 -0.84 0.08 -0.00 -1.97 -1.06 115.31 111.80 2k2c h LEU 42 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.80 2k2c h LEU 42 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 2k2c h LEU 42 CO 0.08 0.88 -0.43 0.00 -0.00 0.00 0.00 178.44 178.97 2k2c h HIS 44 N 0.00 -0.08 -0.17 0.00 -0.00 -1.37 -3.36 115.15 110.18 2k2c h HIS 44 Ca -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2k2c h HIS 44 Cb 0.97 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.40 2k2c h HIS 44 CO 0.00 0.36 0.12 0.22 -0.00 0.00 0.00 177.93 178.63 2k2c h ASP 45 N -0.54 0.14 -0.66 3.26 1.82 -0.96 -1.01 116.42 118.48 2k2c h ASP 45 Ca -0.01 -0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.57 2k2c h ASP 45 Cb 0.47 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.42 2k2c h ASP 45 CO 0.01 0.10 0.19 -1.13 -1.61 0.00 0.00 179.24 176.80 2k2c h ASN 46 N 0.16 0.97 0.69 2.28 -0.00 -1.47 -3.22 115.58 114.99 2k2c h ASN 46 Ca 0.07 -0.22 -0.23 0.00 -0.00 0.00 0.00 56.30 55.92 2k2c h ASN 46 Cb 0.08 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.11 2k2c h ASN 46 CO -0.01 0.93 -1.44 0.78 -0.00 0.00 0.00 177.43 177.69 2k2c h ASN 47 N 0.96 0.00 -2.84 1.15 2.35 -1.46 -3.47 115.58 112.27 2k2c h ASN 47 Ca 0.21 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.36 2k2c h ASN 47 Cb 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 2k2c h ASN 47 CO -0.00 0.85 -0.51 -1.61 -1.65 0.00 0.00 177.43 174.51 2k2c s GLU 48 N -2.73 3.33 0.47 0.81 0.41 -0.47 -5.01 118.70 115.51 2k2c s GLU 48 Ca -0.03 -0.55 0.26 0.00 -0.41 0.00 0.00 54.97 54.25 2k2c s GLU 48 Cb 0.08 -2.95 0.69 0.00 -1.78 0.00 0.00 34.13 30.17 2k2c s GLU 48 CO 0.82 0.57 1.73 0.38 -0.49 0.00 0.00 175.26 178.27 2k2c h ASP 49 N 2.81 0.00 -1.45 -0.19 2.03 -1.90 -3.44 116.42 114.28 2k2c h ASP 49 Ca -0.46 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.25 2k2c h ASP 49 Cb 1.17 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.58 2k2c h ASP 49 CO 0.72 0.03 -0.51 -1.38 -1.03 0.00 0.00 179.24 177.07 2k2c s HIS 50 N -3.37 2.47 0.12 4.15 -3.43 -1.26 -5.15 115.29 108.82 2k2c s HIS 50 Ca 0.05 -0.65 -0.06 0.00 -0.80 0.00 0.00 55.06 53.60 2k2c s HIS 50 Cb 0.07 -1.90 -0.06 0.00 -1.43 0.00 0.00 32.58 29.26 2k2c s HIS 50 CO 0.63 0.20 0.37 1.14 -2.00 0.00 0.00 174.74 175.08 2k2c s GLN 51 N -3.89 3.63 -0.10 -0.38 -2.07 -1.26 -4.59 119.66 111.00 2k2c s GLN 51 Ca 0.37 -0.05 -0.10 0.00 -1.82 0.00 0.00 55.36 53.76 2k2c s GLN 51 Cb 0.05 -2.90 -0.05 0.00 -1.09 0.00 0.00 33.01 29.02 2k2c s GLN 51 CO 0.20 0.50 0.22 -1.17 -1.32 0.00 0.00 175.29 173.72 2k2c s LEU 52 N -2.45 4.38 0.03 2.60 0.20 -1.26 -5.04 118.68 117.14 2k2c s LEU 52 Ca 0.38 0.58 0.08 0.00 0.69 0.00 0.00 54.13 55.86 2k2c s LEU 52 Cb -0.12 -2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 43.38 2k2c s LEU 52 CO 0.23 0.34 -0.24 -0.62 -0.29 0.00 0.00 176.35 175.77 2k2c s ASP 53 N -0.78 2.83 0.00 3.68 2.15 -1.26 -4.87 116.67 118.42 2k2c s ASP 53 Ca 0.17 -0.53 0.19 0.00 0.43 0.00 0.00 52.55 52.80 2k2c s ASP 53 Cb -0.13 -0.26 1.11 0.00 -0.30 0.00 0.00 42.92 43.33 2k2c s ASP 53 CO 0.06 0.23 1.59 -2.11 -0.17 0.00 0.00 175.17 174.77 2k2c n ARG 54 N 1.96 0.81 -0.02 4.34 1.85 -1.26 -1.52 116.66 122.82 2k2c n ARG 54 Ca -0.17 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.73 2k2c n ARG 54 Cb 0.52 -1.36 -0.10 0.00 -1.05 0.00 0.00 32.46 30.48 2k2c n ARG 54 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2k2c n PHE 55 N -0.86 0.00 0.08 2.89 3.72 -1.26 -3.94 117.46 118.10 2k2c n PHE 55 Ca 0.14 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2k2c n PHE 55 Cb 0.06 -0.35 -0.07 0.00 -0.94 0.00 0.00 39.48 38.19 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 0.28 -6.96 -1.08 1.79 -1.67 -3.45 116.57 105.48 2k2c h LYS 56 Ca -0.06 -0.35 -0.53 0.00 -2.18 0.00 0.00 60.65 57.54 2k2c h LYS 56 Cb 0.79 0.11 0.08 0.00 -1.58 0.00 0.00 32.23 31.64 2k2c h LYS 56 CO 0.00 1.08 0.60 0.14 -1.08 0.00 0.00 179.45 180.20 2k2c s VAL 57 N -3.03 2.63 0.00 0.50 -7.23 -1.12 -4.68 120.40 107.47 2k2c s VAL 57 Ca -0.04 0.55 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 2k2c s VAL 57 Cb 0.09 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2k2c s VAL 57 CO 0.86 0.07 0.00 1.17 -0.31 0.00 0.00 175.10 176.89 2k2c n LYS 58 N 0.00 0.00 -3.61 4.82 3.00 -1.26 -5.02 118.16 116.10 2k2c n LYS 58 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.15 2k2c n LYS 58 Cb 0.44 -0.82 -0.03 0.00 0.00 0.00 0.00 35.03 34.62 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 -1.70 2.61 0.09 1.64 2.02 -1.26 -1.48 118.70 120.63 2k2c s GLU 59 Ca 0.00 -1.45 -0.08 0.00 0.02 0.00 0.00 54.97 53.46 2k2c s GLU 59 Cb 0.00 -2.43 -0.00 0.00 0.10 0.00 0.00 34.13 31.80 2k2c s GLU 59 CO 0.00 -0.11 0.18 0.14 0.02 0.00 0.00 175.26 175.49 2k2c s VAL 60 N -2.41 0.14 0.41 2.63 -7.23 -0.47 -1.55 120.40 111.92 2k2c s VAL 60 Ca 0.46 -1.24 0.08 0.00 -1.81 0.00 0.00 61.98 59.47 2k2c s VAL 60 Cb -0.04 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2k2c s VAL 60 CO 0.28 -0.64 0.25 0.00 -0.31 0.00 0.00 175.10 174.67 2k2c s GLN 61 N -3.87 2.35 -0.30 4.82 1.03 -0.58 -1.53 119.66 121.57 2k2c s GLN 61 Ca 0.06 -1.71 -0.07 0.00 0.04 0.00 0.00 55.36 53.68 2k2c s GLN 61 Cb 0.05 -2.14 0.01 0.00 0.03 0.00 0.00 33.01 30.96 2k2c s GLN 61 CO -0.10 -0.12 0.08 0.00 -2.54 0.00 0.00 175.29 172.61 2k2c h ILE 63 N 5.87 0.63 -1.26 0.00 2.04 -1.69 0.36 117.51 123.46 2k2c h ILE 63 Ca -0.31 -0.53 -0.75 0.00 1.00 0.00 0.00 64.86 64.26 2k2c h ILE 63 Cb 1.13 1.34 -0.14 0.00 -0.74 0.00 0.00 36.82 38.41 2k2c h ILE 63 CO 0.60 0.12 2.25 -3.20 0.00 0.00 0.00 178.15 177.92 2k2c n ASN 64 N -3.72 6.68 0.00 1.72 5.15 -1.26 -4.07 115.26 119.76 2k2c n ASN 64 Ca -0.02 -3.12 0.00 0.00 -0.60 0.00 0.00 54.58 50.84 2k2c n ASN 64 Cb 0.24 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.07 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 0.00 -1.84 0.00 1.02 0.13 -5.04 120.64 114.91 2k2c n GLU 66 Ca 0.00 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2k2c n GLU 66 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 31.44 28.86 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 -0.55 4.17 0.03 3.49 2.36 -1.24 -4.63 119.74 123.37 2k2c s LYS 67 Ca 0.00 2.45 -0.26 0.00 -2.55 0.00 0.00 55.97 55.61 2k2c s LYS 67 Cb 0.00 -3.56 -0.05 0.00 -1.05 0.00 0.00 37.83 33.17 2k2c s LYS 67 CO 0.00 -0.77 0.80 0.42 1.55 0.00 0.00 175.35 177.34 2k2c s ILE 68 N 2.58 4.76 0.27 5.43 -1.09 -1.26 -1.96 121.20 129.93 2k2c s ILE 68 Ca 0.77 1.69 -0.10 0.00 -2.23 0.00 0.00 60.65 60.77 2k2c s ILE 68 Cb -0.43 -4.15 -0.00 0.00 -1.58 0.00 0.00 42.46 36.30 2k2c s ILE 68 CO 0.34 0.32 0.47 0.00 -1.23 0.00 0.00 174.94 174.84 2k2c s GLN 69 N 0.17 1.61 0.75 2.79 -2.07 -0.58 -5.02 119.66 117.31 2k2c s GLN 69 Ca 0.41 -1.37 -0.11 0.00 -1.82 0.00 0.00 55.36 52.46 2k2c s GLN 69 Cb -0.20 0.46 0.04 0.00 -1.09 0.00 0.00 33.01 32.21 2k2c s GLN 69 CO 0.23 -0.67 1.08 -1.01 -1.32 0.00 0.00 175.29 173.61 2k2c s HIS 70 N -3.79 3.00 -0.56 9.60 3.76 -1.26 -1.36 115.29 124.67 2k2c s HIS 70 Ca 0.25 1.22 -0.26 0.00 -0.15 0.00 0.00 55.06 56.12 2k2c s HIS 70 Cb -0.00 -3.03 -0.07 0.00 1.11 0.00 0.00 32.58 30.59 2k2c s HIS 70 CO 0.11 -1.50 2.31 0.00 -0.85 0.00 0.00 174.74 174.81 2k2c s ALA 71 N -3.15 1.57 0.15 -1.40 0.00 -0.55 -4.39 121.76 114.00 2k2c s ALA 71 Ca 0.59 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2k2c s ALA 71 Cb -0.14 -4.38 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 2k2c s ALA 71 CO 0.54 -4.60 -0.01 -1.14 0.00 0.00 0.00 175.76 170.55 2k2c s GLN 72 N 8.14 1.04 0.22 0.00 0.74 -1.26 -4.98 119.66 123.55 2k2c s GLN 72 Ca 0.91 -1.48 0.12 0.00 0.05 0.00 0.00 55.36 54.96 2k2c s GLN 72 Cb -0.15 -0.20 0.02 0.00 1.10 0.00 0.00 33.01 33.78 2k2c s GLN 72 CO 0.22 -0.12 1.41 0.37 -0.55 0.00 0.00 175.29 176.62 2k2c h GLN 73 N 2.77 0.00 -4.94 1.67 5.75 -1.95 -3.46 115.11 114.94 2k2c h GLN 73 Ca -0.36 0.00 -0.41 0.00 -0.15 0.00 0.00 58.65 57.73 2k2c h GLN 73 Cb 1.20 0.00 -0.27 0.00 1.07 0.00 0.00 27.48 29.47 2k2c h GLN 73 CO 0.63 0.71 -0.78 0.99 -2.65 0.00 0.00 178.83 177.72 2k2c s THR 74 N -2.95 0.85 -0.62 2.39 2.01 -1.26 -1.48 115.64 114.58 2k2c s THR 74 Ca 0.02 -0.59 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 2k2c s THR 74 Cb 0.09 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2k2c s THR 74 CO 0.77 0.14 1.90 0.00 -0.69 0.00 0.00 174.62 176.75 2k2c h GLU 76 N 15.06 0.00 0.48 0.00 9.09 -1.96 0.24 114.58 137.49 2k2c h GLU 76 Ca -0.24 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.15 2k2c h GLU 76 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2k2c h GLU 76 CO 1.21 0.00 -0.23 1.49 0.05 0.00 0.00 179.01 181.53 2k2c h GLU 77 N 0.00 -0.62 -0.00 1.06 4.22 -1.99 -3.40 114.58 113.85 2k2c h GLU 77 Ca 0.32 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.80 2k2c h GLU 77 Cb 1.41 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 2k2c h GLU 77 CO -0.00 -0.41 -0.11 0.00 -2.18 0.00 0.00 179.01 176.30 2k2c n SER 79 N -1.36 -5.39 -4.60 0.00 7.64 0.85 -4.94 113.62 105.83 2k2c n SER 79 Ca 0.17 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.75 2k2c n SER 79 Cb 0.66 -4.48 -0.02 0.00 -1.01 0.00 0.00 64.21 59.35 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 -2.87 3.85 -0.35 0.44 2.01 -1.21 -4.82 115.64 112.70 2k2c s THR 80 Ca 0.00 0.85 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 2k2c s THR 80 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2k2c s THR 80 CO 0.00 -0.75 1.41 -0.22 -0.69 0.00 0.00 174.62 174.37 2k2c s LEU 81 N 5.66 3.72 0.34 4.42 2.96 -1.26 -1.55 118.68 132.97 2k2c s LEU 81 Ca 0.63 1.06 0.16 0.00 -0.22 0.00 0.00 54.13 55.76 2k2c s LEU 81 Cb -0.14 -3.54 0.58 0.00 0.50 0.00 0.00 46.19 43.59 2k2c s LEU 81 CO 0.32 -1.30 1.70 -0.26 -1.32 0.00 0.00 176.35 175.49 2k2c h PHE 82 N 10.31 0.00 -2.25 5.38 0.04 -1.56 -3.40 116.94 125.45 2k2c h PHE 82 Ca -0.28 0.00 0.25 0.00 2.80 0.00 0.00 57.97 60.74 2k2c h PHE 82 Cb 1.11 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.20 2k2c h PHE 82 CO 0.93 0.45 0.73 0.20 -0.60 0.00 0.00 178.31 180.02 2k2c s GLY 83 N -4.39 -0.05 -0.10 -1.45 0.00 -1.26 -1.76 107.32 98.31 2k2c s GLY 83 Ca -0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 44.72 44.44 2k2c s GLY 83 CO 0.71 3.34 0.70 0.83 0.00 0.00 0.00 173.10 178.68 2k2c h GLU 84 N 2.00 0.20 -5.97 2.90 5.08 -1.66 -3.46 114.58 113.67 2k2c h GLU 84 Ca -0.26 -0.34 -0.62 0.00 -1.00 0.00 0.00 59.36 57.15 2k2c h GLU 84 Cb 1.20 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 2k2c h GLU 84 CO 0.33 1.16 -0.24 -0.47 -1.00 0.00 0.00 179.01 178.79 2k2c s TYR 85 N -2.40 3.71 0.07 4.33 6.14 -0.19 -4.84 117.35 124.16 2k2c s TYR 85 Ca -0.18 0.93 0.04 0.00 0.64 0.00 0.00 57.07 58.49 2k2c s TYR 85 Cb 0.02 -2.24 -0.03 0.00 0.42 0.00 0.00 41.96 40.13 2k2c s TYR 85 CO 0.76 0.65 -0.11 1.52 0.64 0.00 0.00 175.55 179.01 2k2c s TYR 86 N -1.10 0.98 -0.30 4.97 1.13 -1.26 -2.34 117.35 119.43 2k2c s TYR 86 Ca 0.23 -0.52 -0.13 0.00 -1.41 0.00 0.00 57.07 55.24 2k2c s TYR 86 Cb -0.16 -0.56 0.17 0.00 -1.10 0.00 0.00 41.96 40.32 2k2c s TYR 86 CO 0.13 -0.01 0.98 0.00 -2.51 0.00 0.00 175.55 174.14 2k2c h ASP 88 N 7.66 0.65 -0.62 0.00 3.58 -1.94 -1.83 116.42 123.92 2k2c h ASP 88 Ca -0.16 -0.82 -0.00 0.00 0.42 0.00 0.00 57.03 56.47 2k2c h ASP 88 Cb 1.13 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 2k2c h ASP 88 CO 0.05 1.39 0.38 0.40 -2.88 0.00 0.00 179.24 178.58 2k2c h ILE 89 N -0.02 1.18 0.00 2.25 2.04 -1.97 -1.89 117.51 119.10 2k2c h ILE 89 Ca -0.13 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2k2c h ILE 89 Cb 1.58 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2k2c h ILE 89 CO 0.17 0.19 -0.10 0.00 0.00 0.00 0.00 178.15 178.40 2k2c n HIS 91 N -2.96 -2.18 -4.43 0.00 8.25 -0.71 -4.74 115.22 108.46 2k2c n HIS 91 Ca 0.04 0.91 -0.30 0.00 -0.26 0.00 0.00 57.72 58.11 2k2c n HIS 91 Cb 0.52 -4.72 -0.17 0.00 1.12 0.00 0.00 29.99 26.74 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 -6.67 1.79 -0.22 2.41 0.05 -0.95 -5.03 118.68 110.05 2k2c s LEU 92 Ca 0.13 -0.47 -0.01 0.00 0.05 0.00 0.00 54.13 53.83 2k2c s LEU 92 Cb -0.06 -1.17 0.06 0.00 -2.05 0.00 0.00 46.19 42.97 2k2c s LEU 92 CO 0.77 0.02 0.00 -0.36 -0.55 0.00 0.00 176.35 176.23 2k2c s PHE 93 N 1.04 1.72 0.37 3.48 0.08 -1.26 -2.30 117.98 121.10 2k2c s PHE 93 Ca -0.05 -1.35 -0.16 0.00 0.12 0.00 0.00 56.93 55.49 2k2c s PHE 93 Cb -0.15 -1.35 0.06 0.00 -0.57 0.00 0.00 43.02 41.01 2k2c s PHE 93 CO -0.03 -0.71 0.80 0.16 -0.10 0.00 0.00 175.22 175.34 2k2c s ASP 94 N 1.62 -0.01 0.41 1.36 -4.77 -0.99 -4.52 116.67 109.78 2k2c s ASP 94 Ca -0.02 -1.09 -0.27 0.00 -3.30 0.00 0.00 52.55 47.87 2k2c s ASP 94 Cb -0.18 0.82 -0.10 0.00 -1.09 0.00 0.00 42.92 42.37 2k2c s ASP 94 CO -0.09 -1.63 1.45 0.29 0.70 0.00 0.00 175.17 175.89 2k2c n LYS 95 N -0.54 2.45 -2.64 2.11 5.02 -1.07 -1.03 118.16 122.46 2k2c n LYS 95 Ca -0.08 0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 56.65 2k2c n LYS 95 Cb 0.60 -2.62 -0.02 0.00 -0.02 0.00 0.00 35.03 32.96 2k2c n LYS 95 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k2c s ASP 96 N -0.29 6.65 -0.61 4.39 2.15 -1.26 -4.67 116.67 123.03 2k2c s ASP 96 Ca 0.57 0.49 0.05 0.00 0.43 0.00 0.00 52.55 54.08 2k2c s ASP 96 Cb -0.47 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 39.96 2k2c s ASP 96 CO 0.61 -1.17 1.02 0.29 -0.17 0.00 0.00 175.17 175.75 2k2c n LYS 97 N 7.60 3.42 -1.20 4.34 5.02 -1.26 -4.84 118.16 131.24 2k2c n LYS 97 Ca 0.11 -4.84 -0.07 0.00 -2.02 0.00 0.00 58.31 51.49 2k2c n LYS 97 Cb 0.49 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.21 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 -0.24 -1.08 -1.75 1.97 4.76 -1.26 -4.03 118.16 116.52 2k2c n LYS 98 Ca 0.32 0.65 -0.31 0.00 -2.87 0.00 0.00 58.31 56.10 2k2c n LYS 98 Cb 0.39 -4.65 0.03 0.00 -1.84 0.00 0.00 35.03 28.96 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 -2.21 3.16 -0.10 1.97 -2.07 -1.25 -3.30 119.66 115.87 2k2c s GLN 99 Ca 0.00 0.98 -0.07 0.00 -1.82 0.00 0.00 55.36 54.44 2k2c s GLN 99 Cb 0.00 -2.02 0.03 0.00 -1.09 0.00 0.00 33.01 29.93 2k2c s GLN 99 CO 0.00 -0.92 0.25 1.52 -1.32 0.00 0.00 175.29 174.82 2k2c s TYR 100 N -2.92 -0.30 -0.74 9.60 1.13 -1.26 -4.93 117.35 117.92 2k2c s TYR 100 Ca 0.59 0.73 -0.25 0.00 -1.41 0.00 0.00 57.07 56.73 2k2c s TYR 100 Cb -0.14 0.08 0.05 0.00 -1.10 0.00 0.00 41.96 40.85 2k2c s TYR 100 CO 0.50 -0.18 1.20 -1.58 -2.51 0.00 0.00 175.55 172.98 2k2c s HIS 101 N 0.60 2.43 0.11 -3.49 2.46 -1.26 -4.14 115.29 112.00 2k2c s HIS 101 Ca -0.04 -0.29 -0.30 0.00 0.47 0.00 0.00 55.06 54.90 2k2c s HIS 101 Cb -0.05 -4.53 -0.06 0.00 -0.13 0.00 0.00 32.58 27.80 2k2c s HIS 101 CO -0.03 -1.93 1.17 0.00 -2.47 0.00 0.00 174.74 171.47 2k2c h GLU 103 N 6.14 0.61 0.10 0.00 5.08 -1.95 0.16 114.58 124.72 2k2c h GLU 103 Ca -0.43 -0.39 -0.28 0.00 -1.00 0.00 0.00 59.36 57.26 2k2c h GLU 103 Cb 1.21 0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.53 2k2c h GLU 103 CO 0.78 1.00 -1.20 -0.97 -1.00 0.00 0.00 179.01 177.62 2k2c h ASN 104 N 0.29 0.75 0.83 1.42 -0.00 -1.96 -2.92 115.58 114.00 2k2c h ASN 104 Ca 0.01 -0.70 -0.05 0.00 -0.00 0.00 0.00 56.30 55.57 2k2c h ASN 104 Cb 0.97 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 39.05 2k2c h ASN 104 CO 0.08 1.51 -0.23 0.00 -0.00 0.00 0.00 177.43 178.79 2k2c n GLY 106 N 0.04 0.41 3.23 0.00 0.00 0.02 -4.97 105.19 103.92 2k2c n GLY 106 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.84 0.02 0.14 -0.61 -4.36 -1.11 -4.88 121.20 108.56 2k2c s ILE 107 Ca 0.00 -1.91 0.09 0.00 -0.26 0.00 0.00 60.65 58.57 2k2c s ILE 107 Cb 0.00 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2k2c s ILE 107 CO 0.00 -0.07 -0.22 0.00 0.24 0.00 0.00 174.94 174.89 2k2c s ARG 109 N -2.32 1.04 -0.58 0.00 3.00 -1.26 -4.99 118.95 113.84 2k2c s ARG 109 Ca 0.13 0.12 -0.31 0.00 -1.00 0.00 0.00 55.73 54.66 2k2c s ARG 109 Cb -0.08 0.48 -0.13 0.00 0.00 0.00 0.00 34.95 35.22 2k2c s ARG 109 CO 0.06 -0.34 2.41 -0.89 0.00 0.00 0.00 175.30 176.55 2k2c n ILE 110 N 0.80 0.04 -3.15 4.11 2.08 -1.26 -4.14 119.36 117.84 2k2c n ILE 110 Ca -0.19 -0.38 0.04 0.00 0.56 0.00 0.00 62.75 62.78 2k2c n ILE 110 Cb 0.58 -1.74 -0.00 0.00 -0.75 0.00 0.00 39.64 37.73 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 9.55 -1.22 -0.10 7.39 0.00 -1.26 -4.96 107.32 116.72 2k2c s GLY 111 Ca 1.13 1.21 -0.29 0.00 0.00 0.00 0.00 44.72 46.76 2k2c s GLY 111 CO 0.41 3.76 1.81 2.56 0.00 0.00 0.00 173.10 181.64 2k2c s PRO 112 N 2.83 3.90 0.56 2.90 0.04 -1.24 -3.80 135.00 140.20 2k2c s PRO 112 Ca 0.13 2.13 0.30 0.00 0.04 0.00 0.00 61.00 63.60 2k2c s PRO 112 Cb -0.09 -4.11 1.69 0.00 0.04 0.00 0.00 34.50 32.04 2k2c s PRO 112 CO -0.25 -1.19 2.18 1.57 0.04 0.00 0.00 177.00 179.34 2k2c h LYS 113 N 10.99 0.00 0.00 4.56 -0.00 -1.74 0.33 116.57 130.71 2k2c h LYS 113 Ca -0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.22 2k2c h LYS 113 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.42 2k2c h LYS 113 CO 0.96 0.05 -0.09 1.05 -0.00 0.00 0.00 179.45 181.43 2k2c h GLU 114 N 0.00 0.00 0.00 0.07 9.09 -1.90 -3.05 114.58 118.79 2k2c h GLU 114 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.30 2k2c h GLU 114 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.24 2k2c h GLU 114 CO 0.01 0.09 -2.01 -0.25 0.05 0.00 0.00 179.01 176.90 2k2c n ASP 115 N -4.31 0.52 -4.27 3.06 9.92 -0.04 -4.87 116.55 116.56 2k2c n ASP 115 Ca -0.03 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.91 2k2c n ASP 115 Cb 0.17 1.58 -0.16 0.00 -0.64 0.00 0.00 41.12 42.06 2k2c n ASP 115 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2k2c s PHE 116 N -3.05 2.63 0.22 1.24 0.08 0.96 -1.12 117.98 118.94 2k2c s PHE 116 Ca -0.08 -0.91 0.06 0.00 0.12 0.00 0.00 56.93 56.12 2k2c s PHE 116 Cb 0.10 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 2k2c s PHE 116 CO 0.79 -0.35 -0.10 -0.59 -0.10 0.00 0.00 175.22 174.88 2k2c s PHE 117 N 0.31 1.68 -0.29 0.36 -0.71 -0.71 -4.33 117.98 114.29 2k2c s PHE 117 Ca -0.16 -0.68 -0.20 0.00 -1.04 0.00 0.00 56.93 54.85 2k2c s PHE 117 Cb -0.17 -0.87 -0.01 0.00 -1.21 0.00 0.00 43.02 40.76 2k2c s PHE 117 CO 0.08 0.24 0.61 -1.58 -1.34 0.00 0.00 175.22 173.23 2k2c s HIS 118 N -3.10 3.23 -0.25 3.49 5.65 -1.26 -1.49 115.29 121.56 2k2c s HIS 118 Ca 0.24 0.62 -0.29 0.00 0.25 0.00 0.00 55.06 55.88 2k2c s HIS 118 Cb 0.02 -2.92 -0.01 0.00 -1.18 0.00 0.00 32.58 28.49 2k2c s HIS 118 CO 0.07 -0.42 1.43 0.00 -0.65 0.00 0.00 174.74 175.18 2k2c s LEU 120 N 4.65 4.38 -0.56 0.00 1.98 -1.26 -3.70 118.68 124.16 2k2c s LEU 120 Ca 0.63 2.01 -0.01 0.00 -2.89 0.00 0.00 54.13 53.87 2k2c s LEU 120 Cb -0.21 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.06 2k2c s LEU 120 CO 0.25 -0.45 0.55 1.17 -1.89 0.00 0.00 176.35 175.98 2k2c n LYS 121 N 3.81 -1.10 0.00 1.98 3.00 -1.26 -4.93 118.16 119.66 2k2c n LYS 121 Ca 0.08 1.33 0.00 0.00 -0.00 0.00 0.00 58.31 59.72 2k2c n LYS 121 Cb 0.46 -4.86 0.00 0.00 0.00 0.00 0.00 35.03 30.63 2k2c n LYS 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k2c n ASN 123 N -0.73 -3.99 -4.30 0.00 4.13 -1.24 -5.02 115.26 104.11 2k2c n ASN 123 Ca 0.00 0.15 -0.18 0.00 1.68 0.00 0.00 54.58 56.23 2k2c n ASN 123 Cb 0.00 -2.78 -0.10 0.00 -1.54 0.00 0.00 39.78 35.36 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2k2c s LEU 124 N -2.74 2.50 -0.22 3.41 1.43 -1.26 -4.64 118.68 117.16 2k2c s LEU 124 Ca 0.00 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.17 2k2c s LEU 124 Cb 0.00 -0.60 0.05 0.00 0.03 0.00 0.00 46.19 45.67 2k2c s LEU 124 CO 0.00 -0.18 -0.11 0.00 0.23 0.00 0.00 176.35 176.29 2k2c s LEU 126 N 1.29 2.51 0.50 0.00 2.01 -0.56 -4.88 118.68 119.55 2k2c s LEU 126 Ca -0.04 -1.54 -0.15 0.00 0.01 0.00 0.00 54.13 52.42 2k2c s LEU 126 Cb -0.17 -0.82 -0.07 0.00 0.01 0.00 0.00 46.19 45.14 2k2c s LEU 126 CO -0.08 -0.72 0.94 0.00 1.01 0.00 0.00 176.35 177.50 2k2c s ALA 127 N -2.81 3.14 0.41 4.21 0.00 -1.26 -1.74 121.76 123.70 2k2c s ALA 127 Ca 0.17 0.06 0.22 0.00 0.00 0.00 0.00 51.96 52.41 2k2c s ALA 127 Cb 0.04 -3.01 1.22 0.00 0.00 0.00 0.00 23.12 21.37 2k2c s ALA 127 CO 0.09 -0.22 2.01 0.52 0.00 0.00 0.00 175.76 178.15 2k2c h MET 128 N 0.89 0.00 -0.01 0.00 2.86 -1.46 -1.80 114.93 115.41 2k2c h MET 128 Ca -0.47 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.04 2k2c h MET 128 Cb 1.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2k2c h MET 128 CO 0.62 0.17 -0.61 -0.97 1.06 0.00 0.00 176.91 177.19 2k2c h ASN 129 N 0.00 0.04 -0.40 1.22 -0.73 -1.94 -3.12 115.58 110.65 2k2c h ASN 129 Ca -0.00 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.05 2k2c h ASN 129 Cb 0.39 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 2k2c h ASN 129 CO 0.02 0.64 -0.15 0.25 -0.37 0.00 0.00 177.43 177.82 2k2c h LEU 130 N 0.02 0.82 0.03 0.34 7.12 -1.73 -3.47 115.31 118.45 2k2c h LEU 130 Ca -0.01 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.60 2k2c h LEU 130 Cb 1.08 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.98 2k2c h LEU 130 CO 0.08 1.02 -0.01 0.00 -0.13 0.00 0.00 178.44 179.40 2k2c n GLN 131 N -4.28 -1.61 -1.58 1.25 6.02 -1.03 -1.44 117.38 114.71 2k2c n GLN 131 Ca -0.01 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2k2c n GLN 131 Cb 0.39 -4.66 0.00 0.00 1.02 0.00 0.00 30.24 26.99 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 0.22 0.48 3.56 1.08 0.00 -1.26 -4.99 105.19 104.27 2k2c n GLY 132 Ca -0.01 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 2k2c n GLY 132 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k2c s ARG 133 N -3.21 2.49 0.22 1.61 1.70 -0.52 -4.90 118.95 116.34 2k2c s ARG 133 Ca 0.00 -0.27 -0.02 0.00 -0.47 0.00 0.00 55.73 54.96 2k2c s ARG 133 Cb 0.00 -5.05 -0.03 0.00 -0.57 0.00 0.00 34.95 29.29 2k2c s ARG 133 CO 0.00 -3.47 0.20 -1.01 -1.08 0.00 0.00 175.30 169.93 2k2c s HIS 134 N 10.43 1.09 -0.92 5.89 3.76 -1.26 -5.06 115.29 129.22 2k2c s HIS 134 Ca 0.71 -1.30 -0.18 0.00 -0.15 0.00 0.00 55.06 54.14 2k2c s HIS 134 Cb -0.07 -0.45 0.15 0.00 1.11 0.00 0.00 32.58 33.32 2k2c s HIS 134 CO 0.00 -0.72 1.07 0.21 -0.85 0.00 0.00 174.74 174.45 2k2c s LYS 135 N -4.07 3.61 -0.08 1.40 2.20 -1.26 -4.96 119.74 116.58 2k2c s LYS 135 Ca 0.37 -1.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 2k2c s LYS 135 Cb 0.05 -4.83 0.08 0.00 -1.51 0.00 0.00 37.83 31.62 2k2c s LYS 135 CO 0.13 -1.68 1.61 0.00 -0.36 0.00 0.00 175.35 175.04