#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 0.23 -0.88 3.04 0.00 -1.26 -5.07 121.76 117.81 2k2c s ALA 2 Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 2k2c s ALA 2 Cb 0.00 -1.86 0.22 0.00 0.00 0.00 0.00 23.12 21.47 2k2c s ALA 2 CO 0.00 -2.11 0.86 0.00 0.00 0.00 0.00 175.76 174.51 2k2c s ALA 3 N 1.05 4.11 -0.22 0.00 0.00 -1.26 -5.05 121.76 120.40 2k2c s ALA 3 Ca 0.21 -3.35 -0.21 0.00 0.00 0.00 0.00 51.96 48.60 2k2c s ALA 3 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 2k2c s ALA 3 CO -0.04 -2.34 0.66 0.95 0.00 0.00 0.00 175.76 174.98 2k2c s THR 4 N 0.22 4.99 -0.43 0.00 -4.23 -1.26 -5.03 115.64 109.89 2k2c s THR 4 Ca 0.22 1.23 -0.29 0.00 -1.18 0.00 0.00 61.69 61.66 2k2c s THR 4 Cb -0.09 -3.97 0.02 0.00 1.34 0.00 0.00 72.50 69.80 2k2c s THR 4 CO -0.09 0.07 1.23 0.00 -0.54 0.00 0.00 174.62 175.29 2k2c s ALA 5 N 2.18 3.16 -1.20 3.99 0.00 -1.26 -4.96 121.76 123.66 2k2c s ALA 5 Ca 0.29 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2k2c s ALA 5 Cb -0.16 -3.89 0.21 0.00 0.00 0.00 0.00 23.12 19.28 2k2c s ALA 5 CO 0.10 -2.21 1.55 0.54 0.00 0.00 0.00 175.76 175.74 2k2c n ARG 6 N 7.81 3.65 0.20 0.00 5.12 -1.26 -4.69 116.66 127.49 2k2c n ARG 6 Ca 0.14 -3.93 0.09 0.00 -1.93 0.00 0.00 57.85 52.22 2k2c n ARG 6 Cb 0.48 -2.85 0.22 0.00 -1.16 0.00 0.00 32.46 29.15 2k2c n ARG 6 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2k2c h GLU 7 N 6.33 0.00 -7.15 5.56 4.81 -2.06 -3.46 114.58 118.61 2k2c h GLU 7 Ca 0.31 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 59.04 2k2c h GLU 7 Cb 0.75 0.00 0.07 0.00 0.63 0.00 0.00 28.75 30.20 2k2c h GLU 7 CO 1.36 0.19 0.40 0.16 -0.73 0.00 0.00 179.01 180.38 2k2c s ASP 8 N -6.23 5.60 0.00 1.04 -4.77 -1.26 -4.94 116.67 106.11 2k2c s ASP 8 Ca 0.05 2.01 0.00 0.00 -3.30 0.00 0.00 52.55 51.30 2k2c s ASP 8 Cb 0.07 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.34 2k2c s ASP 8 CO 0.68 -1.29 0.00 0.61 0.70 0.00 0.00 175.17 175.86 2k2c n GLY 9 N -0.36 2.11 3.43 2.12 0.00 -1.26 -5.17 105.19 106.06 2k2c n GLY 9 Ca 0.10 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.71 -0.10 4.61 0.00 -1.26 -5.17 121.76 119.13 2k2c s ALA 10 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 2k2c s ALA 10 Cb 0.00 0.81 0.04 0.00 0.00 0.00 0.00 23.12 23.97 2k2c s ALA 10 CO 0.00 -0.73 0.03 0.99 0.00 0.00 0.00 175.76 176.06 2k2c s THR 11 N -3.88 0.23 0.24 0.00 2.01 -1.26 -5.15 115.64 107.83 2k2c s THR 11 Ca 0.09 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 2k2c s THR 11 Cb 0.01 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 2k2c s THR 11 CO -0.04 0.07 0.42 -0.83 -0.69 0.00 0.00 174.62 173.55 2k2c s GLY 12 N 2.02 0.66 0.15 4.40 0.00 -1.26 -5.19 107.32 108.10 2k2c s GLY 12 Ca 0.03 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 2k2c s GLY 12 CO -0.06 -0.74 0.91 -1.83 0.00 0.00 0.00 173.10 171.37 2k2c s GLU 13 N -4.04 1.21 -0.11 2.90 -1.05 -1.26 -5.18 118.70 111.18 2k2c s GLU 13 Ca 0.25 -0.64 -0.05 0.00 -0.15 0.00 0.00 54.97 54.37 2k2c s GLU 13 Cb 0.01 0.43 0.05 0.00 -0.44 0.00 0.00 34.13 34.18 2k2c s GLU 13 CO 0.09 -0.55 0.25 -2.00 0.95 0.00 0.00 175.26 174.00 2k2c s GLU 14 N -3.35 0.21 0.00 -4.83 2.56 -1.26 -5.00 118.70 107.02 2k2c s GLU 14 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 54.97 55.63 2k2c s GLU 14 Cb -0.02 -0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.00 2k2c s GLU 14 CO 0.01 -0.17 0.08 -2.13 -0.56 0.00 0.00 175.26 172.49 2k2c n ARG 15 N 4.31 0.00 -0.86 4.30 0.63 -1.26 -4.94 116.66 118.84 2k2c n ARG 15 Ca -0.24 -0.08 -0.10 0.00 -0.92 0.00 0.00 57.85 56.51 2k2c n ARG 15 Cb 0.53 -0.28 -0.06 0.00 0.45 0.00 0.00 32.46 33.10 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 0.00 3.15 2.98 5.14 0.00 -1.26 -4.81 105.19 110.39 2k2c n GLY 16 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 2k2c n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k2c s GLN 17 N -0.13 0.45 -0.05 1.61 -0.21 -1.26 -5.15 119.66 114.92 2k2c s GLN 17 Ca 0.36 -0.31 -0.20 0.00 0.02 0.00 0.00 55.36 55.23 2k2c s GLN 17 Cb 0.20 -0.39 -0.05 0.00 1.00 0.00 0.00 33.01 33.77 2k2c s GLN 17 CO -0.03 0.10 0.55 -0.98 -2.12 0.00 0.00 175.29 172.82 2k2c s ARG 18 N -0.44 4.32 0.00 2.91 3.03 -1.26 -4.92 118.95 122.59 2k2c s ARG 18 Ca -0.01 0.63 0.00 0.00 2.03 0.00 0.00 55.73 58.38 2k2c s ARG 18 Cb -0.04 -3.38 0.00 0.00 -1.03 0.00 0.00 34.95 30.50 2k2c s ARG 18 CO -0.00 0.27 0.00 0.41 -1.13 0.00 0.00 175.30 174.85 2k2c n GLY 19 N 2.80 1.24 3.53 3.88 0.00 -1.17 -4.75 105.19 110.71 2k2c n GLY 19 Ca -0.07 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 2k2c n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c h GLU 21 N 4.21 0.00 -0.02 0.00 9.09 -2.00 -1.33 114.58 124.53 2k2c h GLU 21 Ca -0.28 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.00 2k2c h GLU 21 Cb 1.16 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.26 2k2c h GLU 21 CO 0.22 0.00 -0.48 0.45 0.05 0.00 0.00 179.01 179.25 2k2c h HIS 22 N 0.00 0.52 -3.41 2.06 3.86 -2.00 -3.46 115.15 112.72 2k2c h HIS 22 Ca 0.00 -0.27 -0.39 0.00 -1.16 0.00 0.00 60.37 58.55 2k2c h HIS 22 Cb 0.16 -0.06 -0.35 0.00 1.06 0.00 0.00 27.41 28.22 2k2c h HIS 22 CO 0.00 1.07 -0.76 0.71 0.86 0.00 0.00 177.93 179.81 2k2c s TYR 23 N -3.29 0.56 -1.29 2.45 2.02 -0.50 -5.08 117.35 112.22 2k2c s TYR 23 Ca -0.14 -0.11 -0.15 0.00 -0.37 0.00 0.00 57.07 56.30 2k2c s TYR 23 Cb 0.03 -0.61 0.11 0.00 -0.40 0.00 0.00 41.96 41.09 2k2c s TYR 23 CO 0.80 -0.21 1.71 -0.25 -1.57 0.00 0.00 175.55 176.03 2k2c n ASP 24 N 4.41 4.93 -3.72 2.29 9.92 -1.26 -2.85 116.55 130.27 2k2c n ASP 24 Ca -0.20 -2.95 -0.13 0.00 -0.53 0.00 0.00 54.79 50.98 2k2c n ASP 24 Cb 0.50 -1.65 -0.13 0.00 -0.64 0.00 0.00 41.12 39.20 2k2c n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2c s ARG 25 N 2.85 0.17 -0.08 -1.24 1.70 -1.26 -2.71 118.95 118.38 2k2c s ARG 25 Ca 0.48 0.51 -0.02 0.00 -0.47 0.00 0.00 55.73 56.24 2k2c s ARG 25 Cb 0.03 -0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 2k2c s ARG 25 CO 0.03 -0.18 2.46 0.41 -1.08 0.00 0.00 175.30 176.94 2k2c n GLY 26 N 4.36 2.98 3.40 3.88 0.00 -1.26 -3.03 105.19 115.52 2k2c n GLY 26 Ca -0.23 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.89 1.99 -0.25 0.00 1.43 -0.36 -4.18 118.68 114.42 2k2c s LEU 28 Ca 0.10 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 2k2c s LEU 28 Cb 0.01 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 2k2c s LEU 28 CO -0.04 0.18 1.67 -0.76 0.23 0.00 0.00 176.35 177.63 2k2c s LEU 29 N 0.05 3.79 -0.56 1.79 1.43 0.22 -1.35 118.68 124.04 2k2c s LEU 29 Ca -0.07 1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 54.33 2k2c s LEU 29 Cb -0.14 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.60 2k2c s LEU 29 CO 0.04 -1.38 0.93 -0.75 0.23 0.00 0.00 176.35 175.42 2k2c s LYS 30 N 4.94 3.29 -0.57 1.70 2.20 -1.05 -2.42 119.74 127.84 2k2c s LYS 30 Ca 0.74 -0.36 -0.22 0.00 -0.36 0.00 0.00 55.97 55.77 2k2c s LYS 30 Cb -0.24 -4.07 0.06 0.00 -1.51 0.00 0.00 37.83 32.06 2k2c s LYS 30 CO 0.31 -1.51 0.84 0.00 -0.36 0.00 0.00 175.35 174.63 2k2c s ALA 31 N 3.89 3.23 -1.09 3.13 0.00 -0.41 -4.10 121.76 126.41 2k2c s ALA 31 Ca 0.29 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2k2c s ALA 31 Cb -0.13 -3.64 0.16 0.00 0.00 0.00 0.00 23.12 19.50 2k2c s ALA 31 CO 0.18 -2.38 1.08 -0.35 0.00 0.00 0.00 175.76 174.29 2k2c n PRO 32 N 7.08 0.01 -0.31 0.00 -0.04 -1.26 0.66 135.00 141.14 2k2c n PRO 32 Ca -0.03 0.40 -0.03 0.00 -0.04 0.00 0.00 63.50 63.80 2k2c n PRO 32 Cb 0.46 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.53 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 -2.75 -4.89 0.00 9.92 0.21 -4.96 116.55 114.09 2k2c n ASP 35 Ca 0.00 -0.85 -0.34 0.00 -0.53 0.00 0.00 54.79 53.07 2k2c n ASP 35 Cb 0.56 -2.30 -0.05 0.00 -0.64 0.00 0.00 41.12 38.69 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 -6.71 3.62 -0.37 -1.24 1.02 -1.16 -4.75 119.74 110.15 2k2c s LYS 36 Ca 0.66 -0.05 -0.07 0.00 0.02 0.00 0.00 55.97 56.53 2k2c s LYS 36 Cb -0.37 -3.01 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 2k2c s LYS 36 CO 0.81 0.59 0.16 -0.51 -0.92 0.00 0.00 175.35 175.48 2k2c s LEU 37 N -2.01 4.67 -0.05 3.17 2.01 -1.26 -1.29 118.68 123.91 2k2c s LEU 37 Ca 0.32 -1.33 -0.03 0.00 0.01 0.00 0.00 54.13 53.11 2k2c s LEU 37 Cb -0.13 -1.91 0.03 0.00 0.01 0.00 0.00 46.19 44.19 2k2c s LEU 37 CO 0.19 -0.41 0.12 -0.31 1.01 0.00 0.00 176.35 176.94 2k2c s TYR 38 N 1.39 -0.12 0.52 0.29 2.02 -1.02 -4.90 117.35 115.53 2k2c s TYR 38 Ca 0.01 0.38 0.24 0.00 -0.37 0.00 0.00 57.07 57.33 2k2c s TYR 38 Cb -0.21 -0.08 1.37 0.00 -0.40 0.00 0.00 41.96 42.64 2k2c s TYR 38 CO 0.02 -0.13 1.99 1.15 -1.57 0.00 0.00 175.55 177.01 2k2c h THR 39 N 5.85 0.74 -4.16 -0.71 2.02 -1.87 0.65 112.91 115.43 2k2c h THR 39 Ca -0.39 -0.01 -0.67 0.00 0.77 0.00 0.00 66.41 66.11 2k2c h THR 39 Cb 1.15 0.70 -0.25 0.00 -1.74 0.00 0.00 68.15 68.02 2k2c h THR 39 CO 0.44 0.01 -0.87 0.00 0.37 0.00 0.00 175.52 175.46 2k2c h ARG 41 N 4.52 0.79 -0.07 0.00 2.43 -1.89 -2.65 114.38 117.51 2k2c h ARG 41 Ca -0.47 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.54 2k2c h ARG 41 Cb 1.15 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2k2c h ARG 41 CO 0.42 0.52 -0.44 1.37 -1.51 0.00 0.00 179.97 180.33 2k2c h LEU 42 N 0.81 0.18 -0.90 3.80 8.10 -1.96 -1.48 115.31 123.86 2k2c h LEU 42 Ca 0.28 -0.08 -0.11 0.00 0.11 0.00 0.00 57.88 58.09 2k2c h LEU 42 Cb 0.05 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2k2c h LEU 42 CO -0.12 0.60 -0.50 0.00 -4.11 0.00 0.00 178.44 174.31 2k2c h HIS 44 N 0.00 -0.55 -0.31 0.00 -0.00 -1.14 -3.32 115.15 109.82 2k2c h HIS 44 Ca -0.01 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 2k2c h HIS 44 Cb 0.96 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.54 2k2c h HIS 44 CO 0.00 -0.24 0.21 0.22 -0.00 0.00 0.00 177.93 178.12 2k2c h ASP 45 N -1.01 0.23 -0.90 3.26 3.58 -1.23 -1.14 116.42 119.21 2k2c h ASP 45 Ca -0.06 -0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.45 2k2c h ASP 45 Cb 0.56 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 2k2c h ASP 45 CO 0.10 0.16 0.56 -1.13 -2.88 0.00 0.00 179.24 176.05 2k2c h ASN 46 N 0.27 0.89 0.53 2.28 -1.24 -1.29 -2.77 115.58 114.25 2k2c h ASN 46 Ca 0.13 0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.09 2k2c h ASN 46 Cb 0.20 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2k2c h ASN 46 CO -0.03 0.57 -1.52 0.59 -1.29 0.00 0.00 177.43 175.74 2k2c n ASN 47 N -4.59 0.52 -4.87 1.15 3.02 -0.81 -4.99 115.26 104.69 2k2c n ASN 47 Ca 0.13 0.21 -0.21 0.00 -0.03 0.00 0.00 54.58 54.68 2k2c n ASN 47 Cb 0.18 0.91 0.08 0.00 -0.61 0.00 0.00 39.78 40.34 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 -3.24 2.09 -0.16 3.52 0.41 -0.50 -5.03 118.70 115.79 2k2c s GLU 48 Ca -0.04 -1.30 0.16 0.00 -0.41 0.00 0.00 54.97 53.38 2k2c s GLU 48 Cb 0.10 -2.50 0.52 0.00 -1.78 0.00 0.00 34.13 30.47 2k2c s GLU 48 CO 0.84 -1.06 1.42 -0.25 -0.49 0.00 0.00 175.26 175.72 2k2c n ASP 49 N -2.48 3.88 -3.59 -0.19 9.92 -1.26 -4.85 116.55 117.96 2k2c n ASP 49 Ca 0.14 -2.89 -0.16 0.00 -0.53 0.00 0.00 54.79 51.35 2k2c n ASP 49 Cb 0.61 -0.52 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 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 -2.61 -0.48 0.22 1.24 -3.43 -1.26 -5.18 115.29 103.79 2k2c s HIS 50 Ca 0.41 0.73 -0.18 0.00 -0.80 0.00 0.00 55.06 55.21 2k2c s HIS 50 Cb 0.32 0.31 -0.08 0.00 -1.43 0.00 0.00 32.58 31.70 2k2c s HIS 50 CO 0.10 -0.57 0.70 -0.65 -2.00 0.00 0.00 174.74 172.32 2k2c s GLN 51 N -1.58 4.19 -0.55 -0.38 -0.21 -1.26 -4.31 119.66 115.56 2k2c s GLN 51 Ca -0.10 0.79 -0.22 0.00 0.02 0.00 0.00 55.36 55.86 2k2c s GLN 51 Cb -0.01 -2.85 0.05 0.00 1.00 0.00 0.00 33.01 31.19 2k2c s GLN 51 CO 0.05 0.39 0.81 -1.17 -2.12 0.00 0.00 175.29 173.26 2k2c s LEU 52 N -2.05 4.52 -0.18 2.90 0.20 -1.26 -5.03 118.68 117.78 2k2c s LEU 52 Ca 0.43 -0.68 -0.29 0.00 0.69 0.00 0.00 54.13 54.27 2k2c s LEU 52 Cb -0.16 -2.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.97 2k2c s LEU 52 CO 0.20 -1.12 1.40 -0.62 -0.29 0.00 0.00 176.35 175.92 2k2c s ASP 53 N 2.91 6.74 0.63 3.68 2.15 -1.26 -4.86 116.67 126.66 2k2c s ASP 53 Ca 0.23 1.67 0.41 0.00 0.43 0.00 0.00 52.55 55.28 2k2c s ASP 53 Cb -0.16 -2.54 2.05 0.00 -0.30 0.00 0.00 42.92 41.97 2k2c s ASP 53 CO 0.15 -0.94 2.23 0.08 -0.17 0.00 0.00 175.17 176.52 2k2c h ARG 54 N 9.10 0.00 0.00 4.34 -0.00 -1.96 -1.91 114.38 123.95 2k2c h ARG 54 Ca -0.30 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.63 2k2c h ARG 54 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.08 2k2c h ARG 54 CO 0.99 0.00 -0.27 0.74 -0.00 0.00 0.00 179.97 181.43 2k2c h PHE 55 N 0.00 0.00 -0.02 4.08 0.04 -1.91 -3.25 116.94 115.88 2k2c h PHE 55 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 2k2c h PHE 55 Cb 0.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2k2c h PHE 55 CO 0.00 0.27 -0.60 0.87 -0.60 0.00 0.00 178.31 178.25 2k2c h LYS 56 N 0.00 0.08 -6.12 1.51 1.79 -1.75 -3.44 116.57 108.64 2k2c h LYS 56 Ca -0.00 -0.05 -0.56 0.00 -2.18 0.00 0.00 60.65 57.86 2k2c h LYS 56 Cb 1.06 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 2k2c h LYS 56 CO 0.03 0.65 1.36 0.14 -1.08 0.00 0.00 179.45 180.56 2k2c s VAL 57 N -3.70 3.33 0.20 0.50 -7.23 -1.23 -4.69 120.40 107.59 2k2c s VAL 57 Ca -0.02 0.31 0.09 0.00 -1.81 0.00 0.00 61.98 60.55 2k2c s VAL 57 Cb 0.13 -3.50 -0.09 0.00 0.56 0.00 0.00 36.38 33.47 2k2c s VAL 57 CO 0.77 -0.36 1.48 0.50 -0.31 0.00 0.00 175.10 177.18 2k2c h LYS 58 N 14.18 0.00 -5.22 4.82 1.63 -1.86 -3.47 116.57 126.66 2k2c h LYS 58 Ca -0.33 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.90 2k2c h LYS 58 Cb 1.19 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.69 2k2c h LYS 58 CO 1.05 0.76 -0.56 -1.21 -3.45 0.00 0.00 179.45 176.05 2k2c s GLU 59 N -3.23 1.89 0.35 1.90 2.02 -1.26 -3.41 118.70 116.97 2k2c s GLU 59 Ca -0.00 -2.13 -0.06 0.00 0.02 0.00 0.00 54.97 52.81 2k2c s GLU 59 Cb 0.11 -1.02 0.02 0.00 0.10 0.00 0.00 34.13 33.34 2k2c s GLU 59 CO 0.78 -0.30 0.56 1.33 0.02 0.00 0.00 175.26 177.65 2k2c n VAL 60 N -0.92 0.00 -3.91 2.63 0.24 -0.33 -2.52 118.33 113.52 2k2c n VAL 60 Ca -0.07 -1.48 -0.08 0.00 -2.04 0.00 0.00 64.34 60.66 2k2c n VAL 60 Cb 0.66 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.98 2k2c n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k2c s GLN 61 N -2.56 0.80 -0.36 7.34 -2.07 -0.46 -2.26 119.66 120.09 2k2c s GLN 61 Ca 0.24 -1.03 -0.15 0.00 -1.82 0.00 0.00 55.36 52.60 2k2c s GLN 61 Cb -0.02 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 32.21 2k2c s GLN 61 CO 0.17 -0.23 0.36 0.00 -1.32 0.00 0.00 175.29 174.27 2k2c h ILE 63 N 5.57 1.05 -1.16 0.00 2.04 -1.80 0.27 117.51 123.49 2k2c h ILE 63 Ca -0.29 -0.89 -0.75 0.00 1.00 0.00 0.00 64.86 63.93 2k2c h ILE 63 Cb 1.14 1.50 -0.13 0.00 -0.74 0.00 0.00 36.82 38.59 2k2c h ILE 63 CO 0.70 0.24 2.30 -3.20 0.00 0.00 0.00 178.15 178.20 2k2c n ASN 64 N -4.06 5.96 0.00 1.72 5.15 -1.26 -3.81 115.26 118.97 2k2c n ASN 64 Ca -0.02 -3.08 0.00 0.00 -0.60 0.00 0.00 54.58 50.88 2k2c n ASN 64 Cb 0.32 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.10 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 -0.41 -1.98 0.00 1.02 0.94 -4.97 120.64 115.24 2k2c n GLU 66 Ca 0.00 0.70 -0.43 0.00 -0.02 0.00 0.00 57.16 57.42 2k2c n GLU 66 Cb 0.00 -4.45 -0.03 0.00 -0.02 0.00 0.00 31.44 26.94 2k2c n GLU 66 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2k2c s LYS 67 N -2.51 3.60 -0.25 3.49 2.47 -1.12 -4.74 119.74 120.69 2k2c s LYS 67 Ca 0.00 1.71 -0.27 0.00 -1.56 0.00 0.00 55.97 55.85 2k2c s LYS 67 Cb 0.00 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.24 2k2c s LYS 67 CO 0.00 -1.54 0.93 0.42 0.16 0.00 0.00 175.35 175.32 2k2c s ILE 68 N 6.05 4.74 0.24 5.43 -1.09 -1.26 -1.22 121.20 134.09 2k2c s ILE 68 Ca 0.79 1.75 -0.09 0.00 -2.23 0.00 0.00 60.65 60.88 2k2c s ILE 68 Cb -0.26 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.38 2k2c s ILE 68 CO 0.32 -0.16 0.37 0.00 -1.23 0.00 0.00 174.94 174.24 2k2c s GLN 69 N 3.06 1.46 0.81 2.79 -2.07 -0.96 -5.02 119.66 119.73 2k2c s GLN 69 Ca 0.39 -1.40 -0.11 0.00 -1.82 0.00 0.00 55.36 52.43 2k2c s GLN 69 Cb -0.15 0.41 0.08 0.00 -1.09 0.00 0.00 33.01 32.26 2k2c s GLN 69 CO 0.08 -0.57 1.09 -3.38 -1.32 0.00 0.00 175.29 171.19 2k2c s HIS 70 N -4.01 2.49 -0.35 9.60 -3.43 -1.26 -1.18 115.29 117.15 2k2c s HIS 70 Ca 0.28 1.47 -0.27 0.00 -0.80 0.00 0.00 55.06 55.74 2k2c s HIS 70 Cb 0.02 -3.08 -0.06 0.00 -1.43 0.00 0.00 32.58 28.03 2k2c s HIS 70 CO 0.11 -1.98 2.32 0.00 -2.00 0.00 0.00 174.74 173.18 2k2c s ALA 71 N -2.91 2.20 0.05 -1.38 0.00 -1.22 -4.60 121.76 113.89 2k2c s ALA 71 Ca 0.62 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 2k2c s ALA 71 Cb -0.17 -4.21 -0.04 0.00 0.00 0.00 0.00 23.12 18.70 2k2c s ALA 71 CO 0.56 -3.60 -0.03 -1.14 0.00 0.00 0.00 175.76 171.55 2k2c s GLN 72 N 7.28 0.58 0.24 0.00 0.74 -1.26 -5.00 119.66 122.25 2k2c s GLN 72 Ca 0.99 -1.14 0.09 0.00 0.05 0.00 0.00 55.36 55.36 2k2c s GLN 72 Cb -0.25 0.16 0.25 0.00 1.10 0.00 0.00 33.01 34.27 2k2c s GLN 72 CO 0.31 -0.09 1.55 0.37 -0.55 0.00 0.00 175.29 176.88 2k2c h GLN 73 N 3.36 0.02 -4.71 1.67 4.15 -1.94 -3.45 115.11 114.21 2k2c h GLN 73 Ca -0.34 -0.02 -0.27 0.00 0.77 0.00 0.00 58.65 58.79 2k2c h GLN 73 Cb 1.15 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.70 2k2c h GLN 73 CO 0.62 0.69 -0.65 0.99 -1.93 0.00 0.00 178.83 178.56 2k2c s THR 74 N -3.48 0.46 -0.44 2.39 2.01 -1.26 -0.71 115.64 114.61 2k2c s THR 74 Ca -0.01 -1.97 -0.11 0.00 0.31 0.00 0.00 61.69 59.91 2k2c s THR 74 Cb 0.12 -2.23 0.08 0.00 0.01 0.00 0.00 72.50 70.48 2k2c s THR 74 CO 0.78 -0.34 0.31 0.00 -0.69 0.00 0.00 174.62 174.67 2k2c h GLU 76 N 8.50 0.00 -0.09 0.00 9.09 -1.96 0.55 114.58 130.67 2k2c h GLU 76 Ca -0.24 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.03 2k2c h GLU 76 Cb 1.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.18 2k2c h GLU 76 CO 0.80 0.00 -0.54 1.49 0.05 0.00 0.00 179.01 180.82 2k2c h GLU 77 N 0.00 0.26 0.00 1.06 4.57 -1.98 -3.40 114.58 115.09 2k2c h GLU 77 Ca 0.23 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2k2c h GLU 77 Cb 1.19 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2k2c h GLU 77 CO -0.00 0.73 -0.08 0.00 -1.18 0.00 0.00 179.01 178.48 2k2c n SER 79 N 0.00 -5.29 -4.60 0.00 3.41 0.19 -4.94 113.62 102.40 2k2c n SER 79 Ca -0.02 0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 2k2c n SER 79 Cb 0.54 -4.43 -0.02 0.00 -0.26 0.00 0.00 64.21 60.03 2k2c n SER 79 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2k2c s THR 80 N -2.90 3.67 -0.32 6.66 2.01 -1.22 -4.76 115.64 118.78 2k2c s THR 80 Ca 0.00 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 2k2c s THR 80 Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2k2c s THR 80 CO 0.00 -0.63 1.35 -0.22 -0.69 0.00 0.00 174.62 174.43 2k2c s LEU 81 N 6.33 3.81 0.12 4.42 1.98 -1.26 -1.01 118.68 133.07 2k2c s LEU 81 Ca 0.70 1.14 -0.13 0.00 -2.89 0.00 0.00 54.13 52.95 2k2c s LEU 81 Cb -0.18 -3.54 -0.06 0.00 0.66 0.00 0.00 46.19 43.07 2k2c s LEU 81 CO 0.32 -1.18 1.45 -0.26 -1.89 0.00 0.00 176.35 174.79 2k2c h PHE 82 N 9.74 0.96 -1.75 5.38 -1.00 -1.23 -3.41 116.94 125.62 2k2c h PHE 82 Ca -0.27 -0.28 0.07 0.00 2.81 0.00 0.00 57.97 60.30 2k2c h PHE 82 Cb 1.10 -0.20 -0.24 0.00 3.61 0.00 0.00 35.95 40.22 2k2c h PHE 82 CO 0.91 1.06 0.22 0.20 -1.61 0.00 0.00 178.31 179.08 2k2c s GLY 83 N -3.72 -0.30 0.16 -1.45 0.00 -1.24 -4.07 107.32 96.69 2k2c s GLY 83 Ca -0.12 2.79 -0.17 0.00 0.00 0.00 0.00 44.72 47.22 2k2c s GLY 83 CO 0.85 2.48 1.68 0.83 0.00 0.00 0.00 173.10 178.94 2k2c h GLU 84 N 6.42 0.04 -4.96 2.90 4.39 -1.51 -3.38 114.58 118.48 2k2c h GLU 84 Ca -0.29 -0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.76 2k2c h GLU 84 Cb 1.21 -0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 29.64 2k2c h GLU 84 CO 0.18 0.03 -0.60 -0.47 -1.16 0.00 0.00 179.01 176.99 2k2c s TYR 85 N -6.20 3.12 0.17 4.33 6.14 -0.40 -4.83 117.35 119.68 2k2c s TYR 85 Ca -0.14 -0.27 0.09 0.00 0.64 0.00 0.00 57.07 57.39 2k2c s TYR 85 Cb 0.14 -2.26 -0.04 0.00 0.42 0.00 0.00 41.96 40.22 2k2c s TYR 85 CO 0.71 -0.28 -0.20 1.52 0.64 0.00 0.00 175.55 177.93 2k2c s TYR 86 N 1.57 1.96 -0.30 4.97 1.13 -1.26 -1.63 117.35 123.79 2k2c s TYR 86 Ca 0.06 -0.43 -0.05 0.00 -1.41 0.00 0.00 57.07 55.24 2k2c s TYR 86 Cb -0.15 -0.98 0.17 0.00 -1.10 0.00 0.00 41.96 39.90 2k2c s TYR 86 CO 0.05 0.38 0.63 0.00 -2.51 0.00 0.00 175.55 174.09 2k2c h ASP 88 N 8.00 0.28 -0.91 0.00 2.03 -1.94 0.47 116.42 124.35 2k2c h ASP 88 Ca -0.21 -0.22 0.05 0.00 -0.73 0.00 0.00 57.03 55.92 2k2c h ASP 88 Cb 1.14 -0.08 -0.06 0.00 -0.83 0.00 0.00 39.33 39.49 2k2c h ASP 88 CO 0.20 1.02 0.58 0.40 -1.03 0.00 0.00 179.24 180.41 2k2c h ILE 89 N 0.12 1.09 -0.00 4.15 2.04 -1.96 -2.56 117.51 120.39 2k2c h ILE 89 Ca -0.05 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2k2c h ILE 89 Cb 1.50 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2k2c h ILE 89 CO 0.14 0.20 -0.80 0.00 0.00 0.00 0.00 178.15 177.68 2k2c n HIS 91 N -1.01 -0.42 -3.87 0.00 8.25 0.08 -4.73 115.22 113.53 2k2c n HIS 91 Ca 0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 2k2c n HIS 91 Cb 0.36 -3.71 -0.12 0.00 1.12 0.00 0.00 29.99 27.64 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 -5.31 3.47 -0.19 2.41 0.05 -0.75 -4.99 118.68 113.37 2k2c s LEU 92 Ca 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 54.13 54.02 2k2c s LEU 92 Cb 0.00 -1.91 0.05 0.00 -2.05 0.00 0.00 46.19 42.28 2k2c s LEU 92 CO 0.00 0.02 -0.03 -0.36 -0.55 0.00 0.00 176.35 175.43 2k2c s PHE 93 N 1.28 1.78 0.35 3.48 0.08 -1.26 -1.25 117.98 122.44 2k2c s PHE 93 Ca 0.05 -1.25 -0.10 0.00 0.12 0.00 0.00 56.93 55.75 2k2c s PHE 93 Cb -0.15 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 2k2c s PHE 93 CO 0.03 -0.66 0.62 0.34 -0.10 0.00 0.00 175.22 175.44 2k2c s ASP 94 N 1.60 0.38 1.03 1.36 -1.08 -0.65 -4.48 116.67 114.83 2k2c s ASP 94 Ca -0.02 -1.24 -0.15 0.00 -0.52 0.00 0.00 52.55 50.62 2k2c s ASP 94 Cb -0.17 0.74 0.10 0.00 -1.46 0.00 0.00 42.92 42.13 2k2c s ASP 94 CO -0.07 -1.45 0.39 0.29 0.52 0.00 0.00 175.17 174.85 2k2c n LYS 95 N -0.53 -0.99 -2.56 4.34 5.02 -1.10 -1.28 118.16 121.06 2k2c n LYS 95 Ca -0.03 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.58 2k2c n LYS 95 Cb 0.61 -1.88 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.05 6.48 -0.32 4.39 2.15 -1.26 -4.16 116.67 121.89 2k2c s ASP 96 Ca 0.59 0.27 0.07 0.00 0.43 0.00 0.00 52.55 53.91 2k2c s ASP 96 Cb -0.18 -2.55 0.46 0.00 -0.30 0.00 0.00 42.92 40.35 2k2c s ASP 96 CO 0.66 -1.43 1.37 0.29 -0.17 0.00 0.00 175.17 175.89 2k2c n LYS 97 N 8.26 2.69 -0.95 4.34 5.02 -1.26 -4.91 118.16 131.35 2k2c n LYS 97 Ca 0.10 -3.67 0.00 0.00 -2.02 0.00 0.00 58.31 52.73 2k2c n LYS 97 Cb 0.49 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 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 -0.91 -1.01 -2.19 1.97 4.76 -1.26 -4.16 118.16 115.36 2k2c n LYS 98 Ca 0.39 0.25 -0.34 0.00 -2.87 0.00 0.00 58.31 55.74 2k2c n LYS 98 Cb 0.90 -4.13 0.00 0.00 -1.84 0.00 0.00 35.03 29.96 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 -1.11 3.33 0.06 1.97 0.00 -1.21 -0.77 119.66 121.93 2k2c s GLN 99 Ca 0.00 1.45 0.09 0.00 -0.00 0.00 0.00 55.36 56.90 2k2c s GLN 99 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 33.01 30.96 2k2c s GLN 99 CO 0.00 -0.83 -0.24 1.52 0.00 0.00 0.00 175.29 175.74 2k2c s TYR 100 N -2.04 2.39 -0.50 9.60 -0.85 -1.21 -4.78 117.35 119.96 2k2c s TYR 100 Ca 0.69 -0.36 -0.15 0.00 -0.52 0.00 0.00 57.07 56.72 2k2c s TYR 100 Cb -0.20 -1.38 0.10 0.00 0.38 0.00 0.00 41.96 40.85 2k2c s TYR 100 CO 0.30 0.21 0.44 -1.58 -1.52 0.00 0.00 175.55 173.39 2k2c s HIS 101 N -0.90 3.25 -0.30 -3.49 2.46 -1.26 -2.26 115.29 112.79 2k2c s HIS 101 Ca 0.13 -1.10 -0.29 0.00 0.47 0.00 0.00 55.06 54.27 2k2c s HIS 101 Cb -0.10 -3.43 -0.02 0.00 -0.13 0.00 0.00 32.58 28.90 2k2c s HIS 101 CO 0.04 -0.89 1.64 0.00 -2.47 0.00 0.00 174.74 173.06 2k2c h GLU 103 N 11.49 0.57 -0.01 0.00 5.08 -1.95 0.16 114.58 129.92 2k2c h GLU 103 Ca -0.32 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.50 2k2c h GLU 103 Cb 1.15 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2k2c h GLU 103 CO 1.03 0.99 -0.75 -2.95 -1.00 0.00 0.00 179.01 176.33 2k2c h ASN 104 N 0.44 0.12 1.05 1.42 -1.07 -1.96 -2.77 115.58 112.81 2k2c h ASN 104 Ca 0.00 -0.09 -0.19 0.00 0.07 0.00 0.00 56.30 56.10 2k2c h ASN 104 Cb 1.13 -0.04 -0.03 0.00 -2.07 0.00 0.00 38.32 37.31 2k2c h ASN 104 CO 0.11 0.82 -0.98 0.00 0.07 0.00 0.00 177.43 177.45 2k2c n GLY 106 N 1.34 0.38 3.06 0.00 0.00 0.52 -5.05 105.19 105.45 2k2c n GLY 106 Ca -0.02 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2k2c n GLY 106 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2c s ILE 107 N -2.00 0.42 0.00 -0.61 -4.36 -1.04 -4.78 121.20 108.82 2k2c s ILE 107 Ca 0.00 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.13 2k2c s ILE 107 Cb 0.00 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.86 2k2c s ILE 107 CO 0.00 -0.57 -0.01 0.00 0.24 0.00 0.00 174.94 174.60 2k2c s ARG 109 N -1.55 0.27 -0.00 0.00 3.00 -0.96 -4.97 118.95 114.74 2k2c s ARG 109 Ca 0.19 -0.04 -0.30 0.00 -1.00 0.00 0.00 55.73 54.59 2k2c s ARG 109 Cb -0.11 0.12 -0.06 0.00 0.00 0.00 0.00 34.95 34.89 2k2c s ARG 109 CO 0.10 -0.05 1.55 0.42 0.00 0.00 0.00 175.30 177.32 2k2c s ILE 110 N -0.47 3.49 0.00 4.11 -1.09 -1.26 -3.31 121.20 122.67 2k2c s ILE 110 Ca -0.05 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 2k2c s ILE 110 Cb -0.04 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2k2c s ILE 110 CO 0.01 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 2k2c n GLY 111 N 3.91 2.85 3.64 6.18 0.00 -1.26 -4.99 105.19 115.52 2k2c n GLY 111 Ca 0.15 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2k2c n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2c s PRO 112 N -1.27 3.92 0.51 1.61 0.04 -1.25 -3.35 135.00 135.21 2k2c s PRO 112 Ca 0.00 1.81 0.25 0.00 0.04 0.00 0.00 61.00 63.10 2k2c s PRO 112 Cb 0.00 -4.01 1.40 0.00 0.04 0.00 0.00 34.50 31.93 2k2c s PRO 112 CO 0.00 -1.14 2.07 1.57 0.04 0.00 0.00 177.00 179.54 2k2c h LYS 113 N 10.27 0.00 -0.48 4.56 2.10 -1.26 -0.56 116.57 131.21 2k2c h LYS 113 Ca -0.35 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.25 2k2c h LYS 113 Cb 1.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2k2c h LYS 113 CO 0.99 0.12 0.07 1.05 -2.00 0.00 0.00 179.45 179.68 2k2c h GLU 114 N 0.00 0.74 -0.43 0.07 4.11 -1.89 -2.99 114.58 114.19 2k2c h GLU 114 Ca -0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2k2c h GLU 114 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k2c h GLU 114 CO 0.02 0.71 0.00 -3.47 0.07 0.00 0.00 179.01 176.33 2k2c n ASP 115 N -4.26 3.29 -4.81 3.06 2.03 -0.30 -4.96 116.55 110.59 2k2c n ASP 115 Ca 0.03 -1.97 -0.37 0.00 0.52 0.00 0.00 54.79 53.01 2k2c n ASP 115 Cb 0.25 -0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 2k2c n ASP 115 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k2c s PHE 116 N -1.44 3.69 -0.18 -0.67 5.36 -0.68 -0.07 117.98 123.99 2k2c s PHE 116 Ca 0.40 1.37 -0.12 0.00 -0.96 0.00 0.00 56.93 57.62 2k2c s PHE 116 Cb 0.22 -2.60 0.06 0.00 -0.34 0.00 0.00 43.02 40.36 2k2c s PHE 116 CO 0.31 0.39 0.45 -0.59 -1.46 0.00 0.00 175.22 174.32 2k2c s PHE 117 N -1.43 -0.63 0.25 10.12 -0.71 -0.96 -4.91 117.98 119.72 2k2c s PHE 117 Ca 0.40 1.36 -0.30 0.00 -1.04 0.00 0.00 56.93 57.36 2k2c s PHE 117 Cb -0.18 0.28 -0.09 0.00 -1.21 0.00 0.00 43.02 41.82 2k2c s PHE 117 CO 0.21 -0.34 0.94 -1.58 -1.34 0.00 0.00 175.22 173.12 2k2c s HIS 118 N 1.13 3.94 -0.23 3.49 5.65 -1.26 -1.46 115.29 126.55 2k2c s HIS 118 Ca -0.07 1.90 -0.07 0.00 0.25 0.00 0.00 55.06 57.06 2k2c s HIS 118 Cb -0.07 -2.98 -0.03 0.00 -1.18 0.00 0.00 32.58 28.32 2k2c s HIS 118 CO -0.10 0.41 0.07 0.00 -0.65 0.00 0.00 174.74 174.47 2k2c h LEU 120 N 7.82 0.89 -8.67 0.00 -0.00 -1.94 -3.33 115.31 110.07 2k2c h LEU 120 Ca -0.37 -0.50 -0.68 0.00 -0.00 0.00 0.00 57.88 56.33 2k2c h LEU 120 Cb 1.18 -0.26 -0.20 0.00 -0.00 0.00 0.00 40.66 41.38 2k2c h LEU 120 CO 0.60 1.28 -0.48 -0.75 -0.00 0.00 0.00 178.44 179.09 2k2c s LYS 121 N -4.01 3.42 -0.14 0.17 2.47 -1.26 -4.32 119.74 116.07 2k2c s LYS 121 Ca -0.10 -0.69 -0.05 0.00 -1.56 0.00 0.00 55.97 53.57 2k2c s LYS 121 Cb 0.10 -3.80 0.02 0.00 -1.46 0.00 0.00 37.83 32.69 2k2c s LYS 121 CO 0.88 -0.47 0.10 0.00 0.16 0.00 0.00 175.35 176.02 2k2c n ASN 123 N 0.80 3.05 -4.94 0.00 4.13 -1.25 -4.54 115.26 112.51 2k2c n ASN 123 Ca -0.17 -2.09 -0.24 0.00 1.68 0.00 0.00 54.58 53.76 2k2c n ASN 123 Cb 0.26 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 37.96 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2k2c s LEU 124 N -0.18 4.03 -0.25 3.41 2.96 -1.25 -4.87 118.68 122.54 2k2c s LEU 124 Ca 0.03 0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 54.25 2k2c s LEU 124 Cb 0.03 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2k2c s LEU 124 CO 0.01 -0.27 0.40 0.00 -1.32 0.00 0.00 176.35 175.17 2k2c s LEU 126 N 1.84 3.09 0.36 0.00 2.01 -0.54 -4.98 118.68 120.47 2k2c s LEU 126 Ca 0.17 -0.76 -0.11 0.00 0.01 0.00 0.00 54.13 53.44 2k2c s LEU 126 Cb -0.15 -1.59 -0.07 0.00 0.01 0.00 0.00 46.19 44.39 2k2c s LEU 126 CO 0.09 -0.06 0.73 0.00 1.01 0.00 0.00 176.35 178.12 2k2c s ALA 127 N -2.39 3.37 -0.24 4.21 0.00 -1.26 -2.26 121.76 123.20 2k2c s ALA 127 Ca 0.32 -0.16 0.18 0.00 0.00 0.00 0.00 51.96 52.30 2k2c s ALA 127 Cb -0.05 -2.68 0.18 0.00 0.00 0.00 0.00 23.12 20.58 2k2c s ALA 127 CO 0.19 0.15 1.51 1.98 0.00 0.00 0.00 175.76 179.59 2k2c h MET 128 N 1.67 0.00 -0.15 0.00 4.05 -0.83 -0.59 114.93 119.08 2k2c h MET 128 Ca -0.47 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 58.83 2k2c h MET 128 Cb 1.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 2k2c h MET 128 CO 0.65 0.33 -0.43 -0.97 0.23 0.00 0.00 176.91 176.71 2k2c h ASN 129 N 0.00 0.37 1.10 1.39 -0.73 -1.95 -3.28 115.58 112.49 2k2c h ASN 129 Ca -0.00 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2k2c h ASN 129 Cb 1.24 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.72 2k2c h ASN 129 CO 0.04 0.76 -0.55 0.25 -0.37 0.00 0.00 177.43 177.57 2k2c h LEU 130 N 0.29 0.00 -9.73 0.34 6.46 -1.74 -3.49 115.31 107.44 2k2c h LEU 130 Ca 0.02 -0.12 -0.57 0.00 -0.12 0.00 0.00 57.88 57.09 2k2c h LEU 130 Cb 0.88 0.00 0.14 0.00 -0.73 0.00 0.00 40.66 40.95 2k2c h LEU 130 CO 0.07 0.06 0.18 0.00 -0.62 0.00 0.00 178.44 178.13 2k2c n GLN 131 N -2.36 1.27 0.00 1.25 10.64 -0.30 -2.56 117.38 125.32 2k2c n GLN 131 Ca 0.03 0.46 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 2k2c n GLN 131 Cb 0.47 -2.13 0.00 0.00 -0.86 0.00 0.00 30.24 27.73 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 1.18 3.01 0.28 2.61 0.00 -1.26 -4.88 105.19 106.13 2k2c n GLY 132 Ca 0.10 -0.31 0.18 0.00 0.00 0.00 0.00 46.02 46.00 2k2c n GLY 132 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k2c h ARG 133 N 0.00 0.00 -4.72 1.61 2.43 -1.90 -3.40 114.38 108.40 2k2c h ARG 133 Ca 0.00 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.47 2k2c h ARG 133 Cb 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.35 2k2c h ARG 133 CO 0.00 0.00 -0.30 -3.38 -1.51 0.00 0.00 179.97 174.78 2k2c s HIS 134 N -3.78 3.20 0.07 2.20 -3.43 -1.26 -5.07 115.29 107.22 2k2c s HIS 134 Ca -0.01 -0.44 -0.31 0.00 -0.80 0.00 0.00 55.06 53.50 2k2c s HIS 134 Cb 0.10 -2.76 -0.06 0.00 -1.43 0.00 0.00 32.58 28.43 2k2c s HIS 134 CO 0.47 -0.64 1.25 -1.59 -2.00 0.00 0.00 174.74 172.23 2k2c s LYS 135 N 1.95 4.40 -0.19 -0.38 -2.85 -1.26 -4.94 119.74 116.47 2k2c s LYS 135 Ca 0.09 1.85 0.13 0.00 -1.00 0.00 0.00 55.97 57.04 2k2c s LYS 135 Cb -0.18 -3.33 0.40 0.00 -2.06 0.00 0.00 37.83 32.66 2k2c s LYS 135 CO 0.12 -0.31 1.21 0.00 0.10 0.00 0.00 175.35 176.47