#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 2.64 -0.45 3.17 0.00 -1.26 -4.98 121.76 120.88 2k2c s ALA 2 Ca 0.00 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.28 2k2c s ALA 2 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2k2c s ALA 2 CO 0.00 -2.22 1.96 0.00 0.00 0.00 0.00 175.76 175.49 2k2c s ALA 3 N -3.70 2.40 -0.02 0.00 0.00 -1.26 -4.91 121.76 114.27 2k2c s ALA 3 Ca 0.73 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 2k2c s ALA 3 Cb -0.04 -4.18 -0.07 0.00 0.00 0.00 0.00 23.12 18.83 2k2c s ALA 3 CO 0.51 -3.41 0.68 1.79 0.00 0.00 0.00 175.76 175.33 2k2c h THR 4 N 7.01 0.00 -0.75 0.00 1.35 -2.09 -3.46 112.91 114.97 2k2c h THR 4 Ca -0.30 -0.38 0.07 0.00 -0.55 0.00 0.00 66.41 65.26 2k2c h THR 4 Cb 1.19 0.00 -0.20 0.00 -1.73 0.00 0.00 68.15 67.41 2k2c h THR 4 CO 1.11 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 176.11 2k2c s ALA 5 N -3.87 -2.96 -0.81 6.62 0.00 -1.26 -5.11 121.76 114.37 2k2c s ALA 5 Ca -0.07 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.67 2k2c s ALA 5 Cb 0.01 -2.68 0.05 0.00 0.00 0.00 0.00 23.12 20.50 2k2c s ALA 5 CO 0.21 -2.01 1.25 1.03 0.00 0.00 0.00 175.76 176.24 2k2c s ARG 6 N 2.65 3.31 0.60 0.00 0.52 -1.26 -5.02 118.95 119.74 2k2c s ARG 6 Ca 0.16 -0.70 -0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2k2c s ARG 6 Cb -0.06 -4.54 -0.04 0.00 0.52 0.00 0.00 34.95 30.83 2k2c s ARG 6 CO -0.21 -2.07 1.00 -1.21 0.02 0.00 0.00 175.30 172.83 2k2c s GLU 7 N 4.97 3.57 -0.04 3.54 2.02 -1.26 -5.11 118.70 126.38 2k2c s GLU 7 Ca 0.35 0.67 -0.17 0.00 0.02 0.00 0.00 54.97 55.83 2k2c s GLU 7 Cb -0.08 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.07 2k2c s GLU 7 CO 0.06 -0.54 0.38 0.34 0.02 0.00 0.00 175.26 175.53 2k2c s ASP 8 N -4.18 -0.30 -0.31 -0.19 2.15 -1.26 -5.07 116.67 107.50 2k2c s ASP 8 Ca 0.54 0.31 0.16 0.00 0.43 0.00 0.00 52.55 54.00 2k2c s ASP 8 Cb -0.11 0.44 0.44 0.00 -0.30 0.00 0.00 42.92 43.39 2k2c s ASP 8 CO 0.53 -0.42 1.39 0.61 -0.17 0.00 0.00 175.17 177.11 2k2c n GLY 9 N 1.49 1.95 3.58 2.66 0.00 -1.26 -5.06 105.19 108.55 2k2c n GLY 9 Ca -0.20 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.25 3.14 -0.17 4.61 0.00 -1.26 -4.86 121.76 121.98 2k2c s ALA 10 Ca 0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 51.96 49.30 2k2c s ALA 10 Cb 0.40 -4.63 0.08 0.00 0.00 0.00 0.00 23.12 18.97 2k2c s ALA 10 CO -0.10 -3.46 0.19 0.95 0.00 0.00 0.00 175.76 173.35 2k2c s THR 11 N 4.73 -0.29 -0.30 0.00 -4.23 -1.26 -5.14 115.64 109.16 2k2c s THR 11 Ca 0.54 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.94 2k2c s THR 11 Cb 0.03 -0.56 0.14 0.00 1.34 0.00 0.00 72.50 73.45 2k2c s THR 11 CO 0.06 -0.11 0.78 -0.83 -0.54 0.00 0.00 174.62 173.97 2k2c s GLY 12 N 2.30 -0.52 0.29 3.99 0.00 -1.26 -5.18 107.32 106.94 2k2c s GLY 12 Ca 0.05 2.62 -0.02 0.00 0.00 0.00 0.00 44.72 47.36 2k2c s GLY 12 CO -0.10 3.09 0.36 -1.83 0.00 0.00 0.00 173.10 174.62 2k2c s GLU 13 N 2.66 1.64 -0.05 2.90 4.04 -1.26 -5.18 118.70 123.45 2k2c s GLU 13 Ca -0.05 -1.67 -0.05 0.00 0.04 0.00 0.00 54.97 53.24 2k2c s GLU 13 Cb -0.09 0.39 0.01 0.00 0.02 0.00 0.00 34.13 34.46 2k2c s GLU 13 CO -0.18 -0.64 0.14 -2.00 -1.84 0.00 0.00 175.26 170.73 2k2c s GLU 14 N -3.57 0.16 0.14 -4.83 -6.30 -1.26 -5.18 118.70 97.86 2k2c s GLU 14 Ca 0.33 0.20 0.08 0.00 -2.50 0.00 0.00 54.97 53.08 2k2c s GLU 14 Cb 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 34.13 34.18 2k2c s GLU 14 CO 0.17 -0.03 -0.18 -0.98 0.02 0.00 0.00 175.26 174.27 2k2c s ARG 15 N 0.12 1.20 0.00 4.30 3.03 -1.26 -5.02 118.95 121.33 2k2c s ARG 15 Ca -0.00 -1.33 0.00 0.00 2.03 0.00 0.00 55.73 56.43 2k2c s ARG 15 Cb -0.01 -1.27 0.00 0.00 -1.03 0.00 0.00 34.95 32.64 2k2c s ARG 15 CO -0.00 0.26 0.00 0.41 -1.13 0.00 0.00 175.30 174.84 2k2c n GLY 16 N 0.50 -0.17 3.73 3.88 0.00 -1.26 -5.05 105.19 106.81 2k2c n GLY 16 Ca -0.15 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.11 4.35 -0.19 1.61 0.74 -1.26 -4.97 119.66 119.82 2k2c s GLN 17 Ca 0.00 2.10 -0.02 0.00 0.05 0.00 0.00 55.36 57.49 2k2c s GLN 17 Cb 0.00 -3.20 0.06 0.00 1.10 0.00 0.00 33.01 30.97 2k2c s GLN 17 CO 0.00 -0.35 0.01 -0.98 -0.55 0.00 0.00 175.29 173.43 2k2c s ARG 18 N 0.30 0.86 0.00 1.67 3.03 -1.26 -4.89 118.95 118.66 2k2c s ARG 18 Ca 0.60 -0.49 0.00 0.00 2.03 0.00 0.00 55.73 57.87 2k2c s ARG 18 Cb -0.37 -2.12 0.00 0.00 -1.03 0.00 0.00 34.95 31.42 2k2c s ARG 18 CO 0.36 -0.60 0.00 0.41 -1.13 0.00 0.00 175.30 174.34 2k2c n GLY 19 N 4.98 0.75 3.63 3.88 0.00 -0.87 -4.46 105.19 113.11 2k2c n GLY 19 Ca -0.10 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 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 0.04 0.00 4.11 -2.03 -2.86 114.58 115.84 2k2c h GLU 21 Ca -0.27 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.81 2k2c h GLU 21 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2k2c h GLU 21 CO 0.31 0.00 -2.00 0.72 0.07 0.00 0.00 179.01 178.11 2k2c n HIS 22 N -2.48 0.66 -3.72 2.06 8.25 -1.26 -4.94 115.22 113.79 2k2c n HIS 22 Ca -0.01 0.21 -0.19 0.00 -0.26 0.00 0.00 57.72 57.46 2k2c n HIS 22 Cb 0.09 -1.08 -0.18 0.00 1.12 0.00 0.00 29.99 29.94 2k2c n HIS 22 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k2c s TYR 23 N -2.48 0.16 -0.63 4.41 2.02 -1.08 -5.11 117.35 114.63 2k2c s TYR 23 Ca -0.31 0.16 -0.24 0.00 -0.37 0.00 0.00 57.07 56.32 2k2c s TYR 23 Cb 0.09 -0.48 0.05 0.00 -0.40 0.00 0.00 41.96 41.22 2k2c s TYR 23 CO 0.62 -0.19 1.02 -0.51 -1.57 0.00 0.00 175.55 174.92 2k2c s ASP 24 N 1.90 6.23 0.01 2.29 1.01 -1.23 -0.82 116.67 126.07 2k2c s ASP 24 Ca 0.02 -0.65 -0.06 0.00 0.71 0.00 0.00 52.55 52.57 2k2c s ASP 24 Cb -0.12 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 2k2c s ASP 24 CO -0.03 -1.44 0.11 0.00 0.21 0.00 0.00 175.17 174.01 2k2c s ARG 25 N 4.35 0.46 -0.09 8.23 1.70 -1.26 -3.61 118.95 128.74 2k2c s ARG 25 Ca 0.28 -0.45 0.03 0.00 -0.47 0.00 0.00 55.73 55.12 2k2c s ARG 25 Cb -0.14 0.19 0.22 0.00 -0.57 0.00 0.00 34.95 34.65 2k2c s ARG 25 CO 0.15 -0.11 0.98 0.41 -1.08 0.00 0.00 175.30 175.65 2k2c n GLY 26 N 1.44 2.17 3.23 3.88 0.00 -0.91 -2.05 105.19 112.95 2k2c n GLY 26 Ca -0.23 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.07 1.60 -0.36 0.00 1.43 -0.48 -4.55 118.68 113.24 2k2c s LEU 28 Ca 0.28 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2k2c s LEU 28 Cb 0.06 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 2k2c s LEU 28 CO 0.05 0.01 2.18 -0.76 0.23 0.00 0.00 176.35 178.07 2k2c s LEU 29 N 0.83 3.42 -0.51 1.79 1.43 0.70 -1.88 118.68 124.46 2k2c s LEU 29 Ca -0.11 1.38 -0.28 0.00 -1.03 0.00 0.00 54.13 54.09 2k2c s LEU 29 Cb -0.15 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2k2c s LEU 29 CO 0.02 -2.27 1.55 -0.75 0.23 0.00 0.00 176.35 175.13 2k2c s LYS 30 N 6.94 3.22 -0.54 1.70 2.20 -0.95 -2.33 119.74 129.99 2k2c s LYS 30 Ca 0.93 0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 56.98 2k2c s LYS 30 Cb -0.24 -4.17 0.03 0.00 -1.51 0.00 0.00 37.83 31.94 2k2c s LYS 30 CO 0.30 -2.02 1.02 0.00 -0.36 0.00 0.00 175.35 174.30 2k2c s ALA 31 N 6.64 3.12 -0.93 3.13 0.00 -0.19 -4.11 121.76 129.42 2k2c s ALA 31 Ca 0.60 -0.99 0.15 0.00 0.00 0.00 0.00 51.96 51.72 2k2c s ALA 31 Cb -0.13 -3.82 0.63 0.00 0.00 0.00 0.00 23.12 19.80 2k2c s ALA 31 CO 0.27 -2.40 1.47 -0.35 0.00 0.00 0.00 175.76 174.74 2k2c n PRO 32 N 7.72 0.02 0.26 0.00 -0.04 -1.26 0.66 135.00 142.36 2k2c n PRO 32 Ca 0.05 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2k2c n PRO 32 Cb 0.48 -1.55 0.70 0.00 -0.04 0.00 0.00 33.50 33.09 2k2c n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2c n ASP 35 N 0.00 -5.53 -4.91 0.00 9.92 0.21 -4.99 116.55 111.25 2k2c n ASP 35 Ca 0.00 0.19 -0.29 0.00 -0.53 0.00 0.00 54.79 54.16 2k2c n ASP 35 Cb 0.51 -4.72 -0.04 0.00 -0.64 0.00 0.00 41.12 36.23 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 -4.53 3.35 -0.29 -1.24 1.02 -1.17 -4.79 119.74 112.09 2k2c s LYS 36 Ca 0.00 -0.55 -0.06 0.00 0.02 0.00 0.00 55.97 55.38 2k2c s LYS 36 Cb 0.00 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2k2c s LYS 36 CO 0.00 0.57 0.07 -0.51 -0.92 0.00 0.00 175.35 174.56 2k2c s LEU 37 N -2.79 3.81 -0.04 3.17 2.01 -1.26 -1.02 118.68 122.55 2k2c s LEU 37 Ca 0.34 -0.74 -0.03 0.00 0.01 0.00 0.00 54.13 53.72 2k2c s LEU 37 Cb -0.12 -1.86 0.02 0.00 0.01 0.00 0.00 46.19 44.24 2k2c s LEU 37 CO 0.27 -0.19 0.10 -0.31 1.01 0.00 0.00 176.35 177.24 2k2c s TYR 38 N 1.48 -0.11 0.42 0.29 2.02 -0.99 -4.91 117.35 115.56 2k2c s TYR 38 Ca 0.02 0.32 0.12 0.00 -0.37 0.00 0.00 57.07 57.17 2k2c s TYR 38 Cb -0.17 -0.05 0.96 0.00 -0.40 0.00 0.00 41.96 42.30 2k2c s TYR 38 CO 0.02 -0.10 1.96 1.15 -1.57 0.00 0.00 175.55 177.01 2k2c h THR 39 N 5.60 0.91 -3.54 -0.71 2.02 -1.87 0.20 112.91 115.51 2k2c h THR 39 Ca -0.35 -0.17 -0.49 0.00 0.77 0.00 0.00 66.41 66.17 2k2c h THR 39 Cb 1.17 0.37 -0.19 0.00 -1.74 0.00 0.00 68.15 67.76 2k2c h THR 39 CO 0.44 0.09 -0.78 0.00 0.37 0.00 0.00 175.52 175.64 2k2c h ARG 41 N 3.55 0.59 -0.11 0.00 0.11 -1.88 -3.07 114.38 113.57 2k2c h ARG 41 Ca -0.42 -0.31 -0.08 0.00 0.10 0.00 0.00 59.98 59.26 2k2c h ARG 41 Cb 1.20 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2k2c h ARG 41 CO 0.48 0.90 -0.31 1.37 0.10 0.00 0.00 179.97 182.51 2k2c h LEU 42 N 0.29 0.21 -1.30 0.08 -0.00 -1.97 -2.01 115.31 110.62 2k2c h LEU 42 Ca 0.04 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 2k2c h LEU 42 Cb 0.80 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 2k2c h LEU 42 CO 0.06 0.53 -0.34 0.00 -0.00 0.00 0.00 178.44 178.69 2k2c h HIS 44 N 0.00 -0.33 -0.27 0.00 -0.00 -1.34 -3.31 115.15 109.90 2k2c h HIS 44 Ca -0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.44 2k2c h HIS 44 Cb 0.65 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.16 2k2c h HIS 44 CO 0.00 -0.01 0.23 -0.44 -0.00 0.00 0.00 177.93 177.71 2k2c h ASP 45 N -0.67 0.00 -0.87 3.26 3.32 -0.97 -0.62 116.42 119.87 2k2c h ASP 45 Ca -0.04 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2k2c h ASP 45 Cb 0.47 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2k2c h ASP 45 CO 0.06 0.00 0.57 -1.13 -1.72 0.00 0.00 179.24 177.02 2k2c h ASN 46 N 0.00 0.98 0.24 6.45 -1.24 -1.43 -3.09 115.58 117.49 2k2c h ASN 46 Ca 0.13 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2k2c h ASN 46 Cb 0.59 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2k2c h ASN 46 CO -0.00 0.70 -0.90 0.59 -1.29 0.00 0.00 177.43 176.53 2k2c n ASN 47 N -4.50 0.73 -4.62 1.15 3.02 -0.29 -4.99 115.26 105.76 2k2c n ASN 47 Ca 0.10 -0.56 -0.25 0.00 -0.03 0.00 0.00 54.58 53.83 2k2c n ASN 47 Cb 0.03 0.77 -0.08 0.00 -0.61 0.00 0.00 39.78 39.89 2k2c n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k2c s GLU 48 N -3.06 2.23 0.15 3.52 0.41 -0.90 -5.03 118.70 116.02 2k2c s GLU 48 Ca 0.07 -1.31 0.03 0.00 -0.41 0.00 0.00 54.97 53.36 2k2c s GLU 48 Cb 0.16 -2.20 -0.08 0.00 -1.78 0.00 0.00 34.13 30.23 2k2c s GLU 48 CO 0.81 0.41 1.33 0.22 -0.49 0.00 0.00 175.26 177.53 2k2c h ASP 49 N 2.40 0.18 -0.68 -0.19 3.58 -1.91 -3.46 116.42 116.34 2k2c h ASP 49 Ca -0.46 -0.16 -0.60 0.00 0.42 0.00 0.00 57.03 56.23 2k2c h ASP 49 Cb 1.22 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 42.14 2k2c h ASP 49 CO 0.58 1.03 -0.39 -1.38 -2.88 0.00 0.00 179.24 176.20 2k2c s HIS 50 N -3.00 1.85 -0.01 0.28 -3.43 -1.26 -5.14 115.29 104.59 2k2c s HIS 50 Ca -0.02 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.42 2k2c s HIS 50 Cb 0.10 -1.85 -0.04 0.00 -1.43 0.00 0.00 32.58 29.36 2k2c s HIS 50 CO 0.83 -0.19 0.04 1.14 -2.00 0.00 0.00 174.74 174.56 2k2c s GLN 51 N -4.12 2.93 0.01 -0.38 -2.07 -1.26 -4.55 119.66 110.22 2k2c s GLN 51 Ca 0.28 -0.54 -0.22 0.00 -1.82 0.00 0.00 55.36 53.06 2k2c s GLN 51 Cb -0.00 -2.77 -0.05 0.00 -1.09 0.00 0.00 33.01 29.09 2k2c s GLN 51 CO 0.17 0.64 0.67 -1.17 -1.32 0.00 0.00 175.29 174.27 2k2c s LEU 52 N -1.62 4.42 -0.08 2.60 0.20 -1.26 -5.04 118.68 117.89 2k2c s LEU 52 Ca 0.21 1.26 0.03 0.00 0.69 0.00 0.00 54.13 56.32 2k2c s LEU 52 Cb -0.12 -3.05 -0.02 0.00 -0.43 0.00 0.00 46.19 42.58 2k2c s LEU 52 CO 0.12 0.05 -0.18 -0.62 -0.29 0.00 0.00 176.35 175.43 2k2c s ASP 53 N -0.04 3.68 0.63 3.68 -1.08 -1.26 -4.84 116.67 117.44 2k2c s ASP 53 Ca 0.34 -0.36 0.41 0.00 -0.52 0.00 0.00 52.55 52.42 2k2c s ASP 53 Cb -0.19 -1.15 2.04 0.00 -1.46 0.00 0.00 42.92 42.16 2k2c s ASP 53 CO 0.19 0.24 2.23 0.08 0.52 0.00 0.00 175.17 178.43 2k2c h ARG 54 N 6.13 0.00 0.00 4.34 -0.00 -1.97 -1.66 114.38 121.22 2k2c h ARG 54 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 2k2c h ARG 54 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 2k2c h ARG 54 CO 0.51 0.00 -0.50 1.19 -0.00 0.00 0.00 179.97 181.17 2k2c n PHE 55 N -3.08 0.03 -0.03 4.08 3.72 -1.26 -4.19 117.46 116.72 2k2c n PHE 55 Ca -0.02 0.01 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 2k2c n PHE 55 Cb 0.16 -0.28 -0.14 0.00 -0.94 0.00 0.00 39.48 38.28 2k2c n PHE 55 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2k2c n LYS 56 N -1.54 0.67 -2.13 -1.08 4.76 -0.63 -4.95 118.16 113.26 2k2c n LYS 56 Ca 0.05 0.24 -0.37 0.00 -2.87 0.00 0.00 58.31 55.37 2k2c n LYS 56 Cb 0.34 -1.72 0.01 0.00 -1.84 0.00 0.00 35.03 31.82 2k2c n LYS 56 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2k2c s VAL 57 N -2.57 2.84 0.01 -0.18 -7.23 -1.16 -4.69 120.40 107.42 2k2c s VAL 57 Ca -0.11 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2k2c s VAL 57 Cb 0.07 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2k2c s VAL 57 CO 0.80 -0.03 0.00 1.17 -0.31 0.00 0.00 175.10 176.73 2k2c n LYS 58 N -0.81 0.00 -2.90 4.82 3.00 -1.26 -5.04 118.16 115.98 2k2c n LYS 58 Ca 0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.20 2k2c n LYS 58 Cb 0.48 -0.29 0.06 0.00 0.00 0.00 0.00 35.03 35.29 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 2.23 0.34 1.64 2.02 -1.26 -2.21 118.70 119.46 2k2c s GLU 59 Ca 0.00 -1.41 -0.01 0.00 0.02 0.00 0.00 54.97 53.57 2k2c s GLU 59 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2k2c s GLU 59 CO 0.00 -0.92 0.46 1.33 0.02 0.00 0.00 175.26 176.15 2k2c n VAL 60 N -2.35 0.00 -4.29 2.63 0.24 -0.27 -2.23 118.33 112.07 2k2c n VAL 60 Ca 0.14 -1.81 -0.15 0.00 -2.04 0.00 0.00 64.34 60.47 2k2c n VAL 60 Cb 0.61 1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 33.97 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 -2.84 1.21 -0.32 7.34 -2.07 -0.79 -2.46 119.66 119.73 2k2c s GLN 61 Ca 0.30 -1.58 -0.15 0.00 -1.82 0.00 0.00 55.36 52.11 2k2c s GLN 61 Cb -0.01 -0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 31.35 2k2c s GLN 61 CO 0.21 -0.05 0.34 0.00 -1.32 0.00 0.00 175.29 174.47 2k2c h ILE 63 N 5.49 0.46 -0.08 0.00 2.04 -1.66 0.38 117.51 124.14 2k2c h ILE 63 Ca -0.31 -0.77 -0.14 0.00 1.00 0.00 0.00 64.86 64.64 2k2c h ILE 63 Cb 1.15 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2k2c h ILE 63 CO 0.67 0.14 -0.51 -0.55 0.00 0.00 0.00 178.15 177.90 2k2c h ASN 64 N 0.00 0.59 0.00 1.72 -1.07 -1.90 -3.38 115.58 111.54 2k2c h ASN 64 Ca -0.00 -0.66 0.00 0.00 0.07 0.00 0.00 56.30 55.71 2k2c h ASN 64 Cb 0.53 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 36.60 2k2c h ASN 64 CO 0.02 1.16 -0.03 0.00 0.07 0.00 0.00 177.43 178.65 2k2c n GLU 66 N -0.38 -0.72 -2.47 0.00 1.02 0.13 -4.95 120.64 113.27 2k2c n GLU 66 Ca 0.02 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 2k2c n GLU 66 Cb 0.40 -4.22 -0.04 0.00 -0.02 0.00 0.00 31.44 27.57 2k2c n GLU 66 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k2c s LYS 67 N -1.10 4.58 -0.17 3.49 -0.14 -1.24 -4.65 119.74 120.52 2k2c s LYS 67 Ca 0.00 1.78 -0.23 0.00 -1.36 0.00 0.00 55.97 56.17 2k2c s LYS 67 Cb 0.00 -3.24 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 2k2c s LYS 67 CO 0.00 0.07 0.72 0.42 -0.76 0.00 0.00 175.35 175.80 2k2c s ILE 68 N -0.48 4.97 0.23 2.17 -1.09 -1.26 -1.29 121.20 124.45 2k2c s ILE 68 Ca 0.49 1.39 -0.18 0.00 -2.23 0.00 0.00 60.65 60.12 2k2c s ILE 68 Cb -0.31 -4.03 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 2k2c s ILE 68 CO 0.37 0.10 0.57 0.00 -1.23 0.00 0.00 174.94 174.76 2k2c s GLN 69 N 1.81 1.52 0.87 2.79 -2.07 -1.03 -5.03 119.66 118.53 2k2c s GLN 69 Ca 0.34 -0.96 -0.12 0.00 -1.82 0.00 0.00 55.36 52.80 2k2c s GLN 69 Cb -0.16 0.54 0.12 0.00 -1.09 0.00 0.00 33.01 32.41 2k2c s GLN 69 CO 0.12 -0.66 1.10 -3.38 -1.32 0.00 0.00 175.29 171.16 2k2c s HIS 70 N -3.91 2.53 -0.62 9.60 -3.43 -1.26 -1.11 115.29 117.09 2k2c s HIS 70 Ca 0.12 1.09 -0.26 0.00 -0.80 0.00 0.00 55.06 55.21 2k2c s HIS 70 Cb -0.02 -3.21 -0.04 0.00 -1.43 0.00 0.00 32.58 27.88 2k2c s HIS 70 CO 0.02 -2.21 2.03 0.00 -2.00 0.00 0.00 174.74 172.57 2k2c s ALA 71 N -3.10 1.92 0.42 -1.38 0.00 -0.94 -4.48 121.76 114.20 2k2c s ALA 71 Ca 0.63 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.03 2k2c s ALA 71 Cb -0.16 -4.36 -0.02 0.00 0.00 0.00 0.00 23.12 18.58 2k2c s ALA 71 CO 0.55 -4.23 0.11 1.14 0.00 0.00 0.00 175.76 173.33 2k2c s GLN 72 N 7.42 1.96 -0.10 0.00 -2.07 -1.26 -4.96 119.66 120.65 2k2c s GLN 72 Ca 0.76 -2.21 0.12 0.00 -1.82 0.00 0.00 55.36 52.21 2k2c s GLN 72 Cb -0.13 -0.73 -0.24 0.00 -1.09 0.00 0.00 33.01 30.82 2k2c s GLN 72 CO 0.19 -0.46 0.42 0.94 -1.32 0.00 0.00 175.29 175.06 2k2c n GLN 73 N -0.96 0.66 -4.47 9.60 7.27 -1.26 -4.82 117.38 123.41 2k2c n GLN 73 Ca -0.08 0.20 -0.22 0.00 0.07 0.00 0.00 57.00 56.98 2k2c n GLN 73 Cb 0.65 -1.70 -0.16 0.00 2.41 0.00 0.00 30.24 31.45 2k2c n GLN 73 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k2c s THR 74 N -2.56 0.92 -0.17 1.69 2.01 -1.26 -0.46 115.64 115.80 2k2c s THR 74 Ca -0.09 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 2k2c s THR 74 Cb 0.07 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2k2c s THR 74 CO 0.81 0.29 1.48 0.00 -0.69 0.00 0.00 174.62 176.51 2k2c n GLU 76 N 7.16 0.66 0.00 0.00 0.28 -1.26 -0.30 120.64 127.18 2k2c n GLU 76 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2k2c n GLU 76 Cb 0.45 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 32.24 2k2c n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2k2c n GLU 77 N -0.58 3.38 0.00 3.44 4.07 -1.26 -4.83 120.64 124.86 2k2c n GLU 77 Ca 0.02 -0.13 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 2k2c n GLU 77 Cb 0.01 -0.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 2k2c n GLU 77 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k2c n SER 79 N 0.00 -5.02 -4.68 0.00 7.64 0.59 -4.95 113.62 107.21 2k2c n SER 79 Ca 0.00 0.30 -0.43 0.00 1.01 0.00 0.00 58.87 59.75 2k2c n SER 79 Cb 0.48 -4.37 -0.02 0.00 -1.01 0.00 0.00 64.21 59.29 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 -2.69 4.73 -0.35 0.44 2.01 -1.25 -4.70 115.64 113.83 2k2c s THR 80 Ca 0.00 2.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.75 2k2c s THR 80 Cb 0.00 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2k2c s THR 80 CO 0.00 -0.08 1.59 -0.22 -0.69 0.00 0.00 174.62 175.22 2k2c s LEU 81 N 2.54 3.61 0.35 4.42 2.96 -1.26 -1.39 118.68 129.91 2k2c s LEU 81 Ca 0.46 1.15 0.11 0.00 -0.22 0.00 0.00 54.13 55.63 2k2c s LEU 81 Cb -0.17 -3.53 0.65 0.00 0.50 0.00 0.00 46.19 43.63 2k2c s LEU 81 CO 0.13 -1.50 1.79 -0.26 -1.32 0.00 0.00 176.35 175.19 2k2c h PHE 82 N 11.47 0.06 -1.57 5.38 0.04 -1.09 -3.37 116.94 127.86 2k2c h PHE 82 Ca -0.31 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.53 2k2c h PHE 82 Cb 1.14 -0.01 -0.27 0.00 2.20 0.00 0.00 35.95 39.01 2k2c h PHE 82 CO 0.95 0.44 0.44 0.20 -0.60 0.00 0.00 178.31 179.74 2k2c s GLY 83 N -4.29 -0.10 0.34 -1.45 0.00 -1.25 -2.14 107.32 98.43 2k2c s GLY 83 Ca -0.03 2.84 0.04 0.00 0.00 0.00 0.00 44.72 47.57 2k2c s GLY 83 CO 0.74 2.08 1.96 0.83 0.00 0.00 0.00 173.10 178.70 2k2c h GLU 84 N 4.78 0.83 -5.02 2.90 5.08 -1.73 -3.38 114.58 118.04 2k2c h GLU 84 Ca -0.28 -0.05 -0.65 0.00 -1.00 0.00 0.00 59.36 57.38 2k2c h GLU 84 Cb 1.18 -0.19 -0.25 0.00 0.50 0.00 0.00 28.75 30.00 2k2c h GLU 84 CO 0.14 0.55 -0.68 -0.47 -1.00 0.00 0.00 179.01 177.55 2k2c s TYR 85 N -5.75 3.01 0.08 4.33 5.04 -0.44 -4.80 117.35 118.82 2k2c s TYR 85 Ca -0.10 -0.66 0.01 0.00 -2.44 0.00 0.00 57.07 53.89 2k2c s TYR 85 Cb 0.19 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 40.33 2k2c s TYR 85 CO 0.78 -0.41 0.17 -0.47 -1.34 0.00 0.00 175.55 174.28 2k2c s TYR 86 N 1.37 3.38 -0.30 4.97 5.04 -1.26 -2.89 117.35 127.67 2k2c s TYR 86 Ca 0.05 0.17 -0.10 0.00 -2.44 0.00 0.00 57.07 54.74 2k2c s TYR 86 Cb -0.15 -1.69 0.17 0.00 0.35 0.00 0.00 41.96 40.64 2k2c s TYR 86 CO 0.00 0.56 0.84 0.00 -1.34 0.00 0.00 175.55 175.61 2k2c h ASP 88 N 7.84 0.17 -0.29 0.00 2.03 -1.93 -1.52 116.42 122.73 2k2c h ASP 88 Ca -0.17 -0.18 -0.01 0.00 -0.73 0.00 0.00 57.03 55.94 2k2c h ASP 88 Cb 1.14 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 2k2c h ASP 88 CO 0.09 1.10 0.13 0.40 -1.03 0.00 0.00 179.24 179.93 2k2c h ILE 89 N 0.04 1.16 0.00 4.15 2.04 -1.96 -2.86 117.51 120.08 2k2c h ILE 89 Ca -0.05 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2k2c h ILE 89 Cb 1.76 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2k2c h ILE 89 CO 0.15 0.17 -0.86 0.00 0.00 0.00 0.00 178.15 177.61 2k2c n HIS 91 N -2.45 -0.22 -3.28 0.00 8.25 -0.58 -4.68 115.22 112.25 2k2c n HIS 91 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 2k2c n HIS 91 Cb 0.51 -3.53 -0.07 0.00 1.12 0.00 0.00 29.99 28.02 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 -4.96 4.14 -0.18 2.41 0.05 -1.17 -5.00 118.68 113.96 2k2c s LEU 92 Ca 0.00 0.62 0.01 0.00 0.05 0.00 0.00 54.13 54.81 2k2c s LEU 92 Cb 0.00 -2.66 0.03 0.00 -2.05 0.00 0.00 46.19 41.51 2k2c s LEU 92 CO 0.00 -0.17 -0.14 -0.36 -0.55 0.00 0.00 176.35 175.14 2k2c s PHE 93 N 1.64 2.41 0.28 3.48 0.08 -1.26 -3.28 117.98 121.33 2k2c s PHE 93 Ca 0.23 -1.48 -0.21 0.00 0.12 0.00 0.00 56.93 55.59 2k2c s PHE 93 Cb -0.15 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2k2c s PHE 93 CO 0.09 -0.73 0.75 0.34 -0.10 0.00 0.00 175.22 175.57 2k2c s ASP 94 N 1.40 -0.22 0.74 1.36 2.15 -1.14 -4.41 116.67 116.55 2k2c s ASP 94 Ca 0.02 -0.65 -0.15 0.00 0.43 0.00 0.00 52.55 52.19 2k2c s ASP 94 Cb -0.14 0.72 0.03 0.00 -0.30 0.00 0.00 42.92 43.23 2k2c s ASP 94 CO -0.10 -1.35 1.04 0.29 -0.17 0.00 0.00 175.17 174.88 2k2c n LYS 95 N -0.47 0.45 -2.98 4.34 5.02 -1.24 -1.33 118.16 121.95 2k2c n LYS 95 Ca -0.05 0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 2k2c n LYS 95 Cb 0.59 -2.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.75 6.38 -0.47 4.39 2.15 -1.26 -4.55 116.67 121.56 2k2c s ASP 96 Ca 0.74 -0.21 0.08 0.00 0.43 0.00 0.00 52.55 53.59 2k2c s ASP 96 Cb -0.33 -2.37 0.29 0.00 -0.30 0.00 0.00 42.92 40.21 2k2c s ASP 96 CO 0.50 -0.92 0.70 0.29 -0.17 0.00 0.00 175.17 175.56 2k2c n LYS 97 N 6.69 1.59 -0.72 4.34 5.02 -1.26 -4.91 118.16 128.91 2k2c n LYS 97 Ca 0.01 -3.85 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 2k2c n LYS 97 Cb 0.48 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.71 -0.00 -2.29 1.97 4.76 -1.26 -4.07 118.16 117.97 2k2c n LYS 98 Ca 0.26 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.34 2k2c n LYS 98 Cb 0.52 -3.62 -0.01 0.00 -1.84 0.00 0.00 35.03 30.08 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 -0.56 3.50 -0.03 1.97 -2.07 -1.25 -3.76 119.66 117.45 2k2c s GLN 99 Ca 0.00 1.62 -0.03 0.00 -1.82 0.00 0.00 55.36 55.13 2k2c s GLN 99 Cb 0.00 -2.11 0.01 0.00 -1.09 0.00 0.00 33.01 29.82 2k2c s GLN 99 CO 0.00 -0.73 0.09 1.52 -1.32 0.00 0.00 175.29 174.86 2k2c s TYR 100 N -1.74 -0.09 -0.17 9.60 1.13 -1.25 -4.94 117.35 119.89 2k2c s TYR 100 Ca 0.70 0.22 -0.22 0.00 -1.41 0.00 0.00 57.07 56.36 2k2c s TYR 100 Cb -0.24 0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.62 2k2c s TYR 100 CO 0.28 -0.07 0.68 -1.58 -2.51 0.00 0.00 175.55 172.35 2k2c s HIS 101 N -0.06 3.42 -0.14 -3.49 2.46 -1.26 -3.83 115.29 112.38 2k2c s HIS 101 Ca -0.01 1.05 -0.18 0.00 0.47 0.00 0.00 55.06 56.38 2k2c s HIS 101 Cb -0.01 -2.84 -0.04 0.00 -0.13 0.00 0.00 32.58 29.56 2k2c s HIS 101 CO 0.00 -0.14 0.48 0.00 -2.47 0.00 0.00 174.74 172.61 2k2c h GLU 103 N 6.94 0.73 0.15 0.00 3.07 -1.92 -1.13 114.58 122.42 2k2c h GLU 103 Ca -0.39 -0.69 -0.01 0.00 -0.50 0.00 0.00 59.36 57.77 2k2c h GLU 103 Cb 1.17 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 2k2c h GLU 103 CO 0.75 1.28 -0.07 -0.97 -1.40 0.00 0.00 179.01 178.60 2k2c h ASN 104 N 0.46 -0.17 1.49 1.42 -0.73 -1.95 -3.01 115.58 113.09 2k2c h ASN 104 Ca -0.09 -0.19 -0.00 0.00 1.87 0.00 0.00 56.30 57.88 2k2c h ASN 104 Cb 1.55 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 40.18 2k2c h ASN 104 CO 0.18 0.10 -0.02 0.00 -0.37 0.00 0.00 177.43 177.32 2k2c n GLY 106 N 0.57 1.47 3.16 0.00 0.00 -0.47 -4.99 105.19 104.93 2k2c n GLY 106 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.25 0.13 0.07 -0.61 -4.36 -0.97 -4.77 121.20 107.44 2k2c s ILE 107 Ca 0.00 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 58.66 2k2c s ILE 107 Cb 0.00 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 2k2c s ILE 107 CO 0.00 -0.60 -0.08 0.00 0.24 0.00 0.00 174.94 174.50 2k2c s ARG 109 N -1.93 0.61 -0.42 0.00 3.00 -1.25 -5.00 118.95 113.95 2k2c s ARG 109 Ca 0.20 -0.34 -0.27 0.00 -1.00 0.00 0.00 55.73 54.33 2k2c s ARG 109 Cb -0.11 0.26 -0.06 0.00 0.00 0.00 0.00 34.95 35.04 2k2c s ARG 109 CO 0.12 -0.16 2.34 0.42 0.00 0.00 0.00 175.30 178.02 2k2c s ILE 110 N -1.54 3.02 -0.29 4.11 -1.09 -1.26 -3.87 121.20 120.28 2k2c s ILE 110 Ca -0.13 0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.16 2k2c s ILE 110 Cb -0.06 -3.05 0.14 0.00 -1.58 0.00 0.00 42.46 37.91 2k2c s ILE 110 CO 0.02 -0.04 0.88 -0.83 -1.23 0.00 0.00 174.94 173.73 2k2c s GLY 111 N 11.05 -0.29 -0.29 6.18 0.00 -1.26 -4.96 107.32 117.75 2k2c s GLY 111 Ca 0.97 2.86 -0.29 0.00 0.00 0.00 0.00 44.72 48.26 2k2c s GLY 111 CO 0.28 2.86 1.69 2.56 0.00 0.00 0.00 173.10 180.48 2k2c s PRO 112 N 2.02 3.55 0.51 2.90 0.04 -1.26 -3.84 135.00 138.92 2k2c s PRO 112 Ca -0.07 1.48 0.29 0.00 0.04 0.00 0.00 61.00 62.74 2k2c s PRO 112 Cb -0.06 -4.12 1.40 0.00 0.04 0.00 0.00 34.50 31.76 2k2c s PRO 112 CO -0.17 -1.60 1.87 1.57 0.04 0.00 0.00 177.00 178.71 2k2c h LYS 113 N 11.79 0.09 -0.44 4.56 2.10 -1.79 0.49 116.57 133.37 2k2c h LYS 113 Ca -0.33 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.28 2k2c h LYS 113 Cb 1.16 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 2k2c h LYS 113 CO 1.02 0.06 0.12 1.05 -2.00 0.00 0.00 179.45 179.70 2k2c h GLU 114 N 0.09 0.65 0.00 0.07 9.09 -1.93 -3.18 114.58 119.36 2k2c h GLU 114 Ca 0.45 -0.11 -0.03 0.00 0.05 0.00 0.00 59.36 59.72 2k2c h GLU 114 Cb 1.65 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 28.64 2k2c h GLU 114 CO -0.05 0.58 -1.83 -3.47 0.05 0.00 0.00 179.01 174.28 2k2c n ASP 115 N -4.32 1.01 -4.55 3.06 2.03 0.43 -4.98 116.55 109.23 2k2c n ASP 115 Ca 0.03 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.99 2k2c n ASP 115 Cb 0.19 1.70 -0.11 0.00 -0.72 0.00 0.00 41.12 42.18 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 -3.12 3.17 0.33 -0.67 5.36 0.14 0.07 117.98 123.26 2k2c s PHE 116 Ca -0.07 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 2k2c s PHE 116 Cb 0.10 -2.14 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 2k2c s PHE 116 CO 0.72 -0.05 0.37 -0.59 -1.46 0.00 0.00 175.22 174.20 2k2c s PHE 117 N 0.86 1.38 0.04 10.12 -0.71 -0.12 -4.51 117.98 125.05 2k2c s PHE 117 Ca 0.03 -1.46 0.07 0.00 -1.04 0.00 0.00 56.93 54.53 2k2c s PHE 117 Cb -0.14 -0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 41.25 2k2c s PHE 117 CO 0.02 -0.99 -0.21 -3.38 -1.34 0.00 0.00 175.22 169.33 2k2c s HIS 118 N -3.30 1.80 0.57 3.49 -3.43 -1.26 -0.55 115.29 112.61 2k2c s HIS 118 Ca 0.36 -0.37 -0.19 0.00 -0.80 0.00 0.00 55.06 54.05 2k2c s HIS 118 Cb 0.01 -1.07 -0.05 0.00 -1.43 0.00 0.00 32.58 30.04 2k2c s HIS 118 CO 0.23 0.09 1.19 0.00 -2.00 0.00 0.00 174.74 174.25 2k2c h LEU 120 N 1.09 0.58 0.00 0.00 5.85 -2.00 -3.41 115.31 117.42 2k2c h LEU 120 Ca -0.50 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 57.50 2k2c h LEU 120 Cb 1.28 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2k2c h LEU 120 CO 0.56 1.58 0.00 0.29 -0.34 0.00 0.00 178.44 180.53 2k2c n LYS 121 N -3.57 0.00 -2.17 1.25 4.76 -1.26 -4.84 118.16 112.32 2k2c n LYS 121 Ca -0.17 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.85 2k2c n LYS 121 Cb 1.07 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 34.01 2k2c n LYS 121 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k2c n ASN 123 N 6.74 3.45 -3.59 0.00 2.85 -1.26 -4.63 115.26 118.82 2k2c n ASN 123 Ca 0.49 0.73 -0.08 0.00 -0.11 0.00 0.00 54.58 55.61 2k2c n ASN 123 Cb 0.42 -1.44 -0.05 0.00 1.24 0.00 0.00 39.78 39.95 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2k2c s LEU 124 N 5.42 -0.29 -0.40 1.20 2.96 -1.26 -4.92 118.68 121.39 2k2c s LEU 124 Ca 0.95 0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 54.97 2k2c s LEU 124 Cb -0.57 1.68 0.01 0.00 0.50 0.00 0.00 46.19 47.81 2k2c s LEU 124 CO 0.46 -0.28 0.46 0.00 -1.32 0.00 0.00 176.35 175.67 2k2c s LEU 126 N 2.25 2.80 0.42 0.00 2.01 0.29 -4.92 118.68 121.53 2k2c s LEU 126 Ca 0.15 -1.23 -0.02 0.00 0.01 0.00 0.00 54.13 53.04 2k2c s LEU 126 Cb -0.16 -1.25 -0.03 0.00 0.01 0.00 0.00 46.19 44.76 2k2c s LEU 126 CO 0.14 -0.88 0.67 0.00 1.01 0.00 0.00 176.35 177.29 2k2c s ALA 127 N -2.72 3.58 0.31 4.21 0.00 -1.26 -0.94 121.76 124.94 2k2c s ALA 127 Ca 0.33 -0.77 0.29 0.00 0.00 0.00 0.00 51.96 51.80 2k2c s ALA 127 Cb -0.00 -2.32 1.37 0.00 0.00 0.00 0.00 23.12 22.18 2k2c s ALA 127 CO 0.19 -0.24 2.02 0.52 0.00 0.00 0.00 175.76 178.25 2k2c h MET 128 N 0.46 0.00 0.00 0.00 2.86 -0.75 -1.27 114.93 116.23 2k2c h MET 128 Ca -0.48 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.07 2k2c h MET 128 Cb 1.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2k2c h MET 128 CO 0.61 0.12 -0.44 -0.91 1.06 0.00 0.00 176.91 177.35 2k2c h ASN 129 N 0.00 0.00 1.21 1.22 2.35 -1.95 -3.27 115.58 115.13 2k2c h ASN 129 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k2c h ASN 129 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k2c h ASN 129 CO 0.02 0.44 -0.17 -0.11 -1.65 0.00 0.00 177.43 175.95 2k2c n LEU 130 N -3.24 0.65 -4.67 1.61 0.00 -0.51 -4.85 117.00 106.00 2k2c n LEU 130 Ca 0.02 0.45 -0.44 0.00 0.00 0.00 0.00 56.01 56.04 2k2c n LEU 130 Cb 0.69 -0.31 -0.02 0.00 0.00 0.00 0.00 43.42 43.78 2k2c n LEU 130 CO 0.39 -0.11 0.96 0.00 0.00 0.00 0.00 177.39 178.63 2k2c n GLN 131 N -2.07 1.98 0.00 1.96 6.02 -1.06 -1.56 117.38 122.65 2k2c n GLN 131 Ca 0.05 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2k2c n GLN 131 Cb 0.41 -2.32 0.00 0.00 1.02 0.00 0.00 30.24 29.35 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 1.82 3.17 0.00 1.08 0.00 -1.26 -4.83 105.19 105.18 2k2c n GLY 132 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2k2c n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2c n ARG 133 N -1.27 0.83 -2.23 1.61 3.00 -0.60 -4.89 116.66 113.11 2k2c n ARG 133 Ca 0.00 -0.10 -0.33 0.00 -0.01 0.00 0.00 57.85 57.41 2k2c n ARG 133 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 32.46 31.04 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 -3.00 2.05 -1.37 -1.55 -3.43 -1.19 -4.88 115.29 101.92 2k2c s HIS 134 Ca -0.01 0.14 -0.10 0.00 -0.80 0.00 0.00 55.06 54.28 2k2c s HIS 134 Cb 0.12 -4.28 0.10 0.00 -1.43 0.00 0.00 32.58 27.09 2k2c s HIS 134 CO 0.73 -1.86 2.17 0.36 -2.00 0.00 0.00 174.74 174.13 2k2c n LYS 135 N 8.91 3.59 0.09 -0.38 2.85 -1.26 -4.77 118.16 127.19 2k2c n LYS 135 Ca 0.35 -3.14 0.10 0.00 -1.05 0.00 0.00 58.31 54.58 2k2c n LYS 135 Cb 0.49 -2.96 0.44 0.00 -0.65 0.00 0.00 35.03 32.35 2k2c n LYS 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35