#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 -0.54 -1.14 3.04 0.00 -1.26 -5.01 121.76 116.85 2k2c s ALA 2 Ca 0.00 -0.03 0.25 0.00 0.00 0.00 0.00 51.96 52.18 2k2c s ALA 2 Cb 0.00 -1.71 1.14 0.00 0.00 0.00 0.00 23.12 22.55 2k2c s ALA 2 CO 0.00 -1.56 1.82 0.00 0.00 0.00 0.00 175.76 176.02 2k2c n ALA 3 N 5.32 2.19 -2.09 0.00 0.00 -1.26 -4.75 120.51 119.92 2k2c n ALA 3 Ca -0.03 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2k2c n ALA 3 Cb 0.48 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 2k2c n ALA 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k2c s THR 4 N -2.86 3.71 0.04 0.00 2.01 -1.26 -5.00 115.64 112.27 2k2c s THR 4 Ca 0.16 0.85 -0.26 0.00 0.31 0.00 0.00 61.69 62.74 2k2c s THR 4 Cb 0.17 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 69.17 2k2c s THR 4 CO 0.43 -0.11 0.61 0.00 -0.69 0.00 0.00 174.62 174.86 2k2c s ALA 5 N 4.15 -1.59 -0.26 7.40 0.00 -1.26 -5.16 121.76 125.05 2k2c s ALA 5 Ca 0.70 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 2k2c s ALA 5 Cb -0.30 0.37 0.12 0.00 0.00 0.00 0.00 23.12 23.31 2k2c s ALA 5 CO 0.27 -0.52 0.28 -0.98 0.00 0.00 0.00 175.76 174.81 2k2c s ARG 6 N -2.29 0.29 0.00 0.00 3.03 -1.26 -4.96 118.95 113.76 2k2c s ARG 6 Ca -0.06 0.03 0.00 0.00 2.03 0.00 0.00 55.73 57.73 2k2c s ARG 6 Cb -0.01 -0.78 0.00 0.00 -1.03 0.00 0.00 34.95 33.13 2k2c s ARG 6 CO -0.00 -0.89 0.44 -0.85 -1.13 0.00 0.00 175.30 172.87 2k2c n GLU 7 N 5.32 0.00 -2.03 3.89 0.28 -1.26 -5.14 120.64 121.70 2k2c n GLU 7 Ca -0.03 -0.09 -0.39 0.00 -0.16 0.00 0.00 57.16 56.49 2k2c n GLU 7 Cb 0.48 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 33.30 2k2c n GLU 7 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2k2c s ASP 8 N -0.08 6.13 -0.13 -1.84 -4.77 -1.26 -4.89 116.67 109.84 2k2c s ASP 8 Ca 0.00 2.64 -0.30 0.00 -3.30 0.00 0.00 52.55 51.60 2k2c s ASP 8 Cb 0.00 -2.63 -0.07 0.00 -1.09 0.00 0.00 42.92 39.12 2k2c s ASP 8 CO 0.00 -0.97 2.11 0.61 0.70 0.00 0.00 175.17 177.62 2k2c n GLY 9 N 0.64 1.31 0.21 2.12 0.00 -1.26 -4.89 105.19 103.32 2k2c n GLY 9 Ca 0.05 0.81 -0.14 0.00 0.00 0.00 0.00 46.02 46.74 2k2c n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2c h ALA 10 N 12.92 0.39 -3.28 4.61 0.00 -2.05 -3.43 119.26 128.42 2k2c h ALA 10 Ca -0.44 -0.46 -0.52 0.00 0.00 0.00 0.00 54.91 53.50 2k2c h ALA 10 Cb 1.25 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 18.59 2k2c h ALA 10 CO 0.96 0.50 -0.78 0.99 0.00 0.00 0.00 179.25 180.91 2k2c s THR 11 N -4.15 0.83 -0.27 0.00 2.01 -1.26 -5.11 115.64 107.69 2k2c s THR 11 Ca -0.12 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2k2c s THR 11 Cb 0.08 -1.03 0.06 0.00 0.01 0.00 0.00 72.50 71.63 2k2c s THR 11 CO 0.85 0.15 -0.10 -0.83 -0.69 0.00 0.00 174.62 174.00 2k2c s GLY 12 N 1.76 1.68 -0.01 4.40 0.00 -1.26 -5.11 107.32 108.78 2k2c s GLY 12 Ca 0.02 -1.83 -0.19 0.00 0.00 0.00 0.00 44.72 42.73 2k2c s GLY 12 CO -0.07 0.63 0.40 -1.83 0.00 0.00 0.00 173.10 172.23 2k2c s GLU 13 N 1.09 0.78 -0.25 2.90 -1.05 -1.26 -5.17 118.70 115.74 2k2c s GLU 13 Ca -0.07 -0.13 -0.18 0.00 -0.15 0.00 0.00 54.97 54.44 2k2c s GLU 13 Cb -0.20 0.35 0.07 0.00 -0.44 0.00 0.00 34.13 33.92 2k2c s GLU 13 CO -0.05 -0.23 0.63 -1.83 0.95 0.00 0.00 175.26 174.73 2k2c s GLU 14 N -1.48 0.68 -0.01 -4.83 4.04 -1.26 -5.06 118.70 110.78 2k2c s GLU 14 Ca -0.12 1.04 0.01 0.00 0.04 0.00 0.00 54.97 55.94 2k2c s GLU 14 Cb -0.03 0.21 0.02 0.00 0.02 0.00 0.00 34.13 34.34 2k2c s GLU 14 CO 0.04 -0.13 0.79 0.54 -1.84 0.00 0.00 175.26 174.67 2k2c n ARG 15 N 3.69 1.33 -0.28 -4.83 5.12 -1.26 -4.86 116.66 115.57 2k2c n ARG 15 Ca -0.18 -1.10 0.04 0.00 -1.93 0.00 0.00 57.85 54.69 2k2c n ARG 15 Cb 0.57 -0.78 0.16 0.00 -1.16 0.00 0.00 32.46 31.26 2k2c n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k2c n GLY 16 N -0.31 1.29 3.62 -0.13 0.00 -1.26 -4.83 105.19 103.57 2k2c n GLY 16 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.66 3.97 0.14 1.61 2.00 -1.26 -5.03 119.66 119.41 2k2c s GLN 17 Ca 0.23 0.75 -0.03 0.00 -2.00 0.00 0.00 55.36 54.31 2k2c s GLN 17 Cb 0.15 -3.75 -0.03 0.00 0.80 0.00 0.00 33.01 30.18 2k2c s GLN 17 CO 0.11 -0.82 0.12 -0.98 -0.50 0.00 0.00 175.29 173.22 2k2c s ARG 18 N 3.32 0.98 0.00 1.67 3.03 -1.26 -4.78 118.95 121.90 2k2c s ARG 18 Ca 0.38 -1.35 0.00 0.00 2.03 0.00 0.00 55.73 56.79 2k2c s ARG 18 Cb -0.13 0.28 0.00 0.00 -1.03 0.00 0.00 34.95 34.07 2k2c s ARG 18 CO 0.15 -0.30 0.00 0.41 -1.13 0.00 0.00 175.30 174.43 2k2c n GLY 19 N -0.12 -0.94 3.62 3.88 0.00 -1.09 -4.91 105.19 105.62 2k2c n GLY 19 Ca -0.06 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 5.47 0.00 -0.05 0.00 9.09 -2.00 -1.80 114.58 125.29 2k2c h GLU 21 Ca -0.29 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.10 2k2c h GLU 21 Cb 1.18 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2k2c h GLU 21 CO 0.08 0.00 -0.03 0.45 0.05 0.00 0.00 179.01 179.56 2k2c h HIS 22 N 0.00 0.13 -3.00 2.06 3.86 -2.01 -3.43 115.15 112.75 2k2c h HIS 22 Ca 0.09 -0.04 -0.33 0.00 -1.16 0.00 0.00 60.37 58.93 2k2c h HIS 22 Cb 0.49 -0.03 -0.37 0.00 1.06 0.00 0.00 27.41 28.56 2k2c h HIS 22 CO 0.00 0.53 -0.66 0.71 0.86 0.00 0.00 177.93 179.37 2k2c s TYR 23 N -4.40 -0.11 -0.76 2.45 1.51 -0.69 -5.12 117.35 110.24 2k2c s TYR 23 Ca -0.15 0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 56.05 2k2c s TYR 23 Cb 0.03 -0.37 0.09 0.00 -0.11 0.00 0.00 41.96 41.60 2k2c s TYR 23 CO 0.70 -0.36 1.01 -0.51 -1.11 0.00 0.00 175.55 175.27 2k2c s ASP 24 N 2.26 6.34 -0.01 2.29 1.01 -1.16 -3.39 116.67 124.02 2k2c s ASP 24 Ca 0.04 -1.42 -0.07 0.00 0.71 0.00 0.00 52.55 51.81 2k2c s ASP 24 Cb -0.13 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2k2c s ASP 24 CO -0.07 -1.28 0.15 0.00 0.21 0.00 0.00 175.17 174.19 2k2c s ARG 25 N 3.46 0.43 -0.05 8.23 3.03 -1.26 -2.21 118.95 130.58 2k2c s ARG 25 Ca 0.25 -0.25 0.00 0.00 2.03 0.00 0.00 55.73 57.76 2k2c s ARG 25 Cb -0.13 0.18 0.06 0.00 -1.03 0.00 0.00 34.95 34.03 2k2c s ARG 25 CO 0.02 -0.10 1.49 0.41 -1.13 0.00 0.00 175.30 175.99 2k2c n GLY 26 N 1.77 2.50 3.15 3.88 0.00 -1.05 -2.69 105.19 112.76 2k2c n GLY 26 Ca -0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.04 1.93 -0.07 0.00 1.43 -0.55 -4.21 118.68 114.17 2k2c s LEU 28 Ca 0.21 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2k2c s LEU 28 Cb 0.07 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2k2c s LEU 28 CO -0.00 0.15 1.44 -0.76 0.23 0.00 0.00 176.35 177.41 2k2c s LEU 29 N 0.14 4.28 -0.94 1.79 1.43 -0.15 -1.22 118.68 124.00 2k2c s LEU 29 Ca -0.08 2.03 -0.23 0.00 -1.03 0.00 0.00 54.13 54.82 2k2c s LEU 29 Cb -0.14 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.60 2k2c s LEU 29 CO 0.04 -0.80 1.34 -0.75 0.23 0.00 0.00 176.35 176.41 2k2c s LYS 30 N 3.27 3.50 -0.50 1.70 2.47 -1.20 -1.99 119.74 127.00 2k2c s LYS 30 Ca 0.64 -1.07 -0.28 0.00 -1.56 0.00 0.00 55.97 53.70 2k2c s LYS 30 Cb -0.29 -5.04 -0.00 0.00 -1.46 0.00 0.00 37.83 31.03 2k2c s LYS 30 CO 0.24 -2.11 1.61 0.00 0.16 0.00 0.00 175.35 175.26 2k2c s ALA 31 N 4.67 2.70 -2.00 3.13 0.00 0.33 -4.39 121.76 126.20 2k2c s ALA 31 Ca 0.41 -0.37 0.22 0.00 0.00 0.00 0.00 51.96 52.22 2k2c s ALA 31 Cb -0.03 -4.11 1.28 0.00 0.00 0.00 0.00 23.12 20.27 2k2c s ALA 31 CO -0.05 -3.01 1.78 -0.35 0.00 0.00 0.00 175.76 174.13 2k2c n PRO 32 N 8.65 0.93 0.18 0.00 -0.04 -1.26 -0.32 135.00 143.13 2k2c n PRO 32 Ca 0.17 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 2k2c n PRO 32 Cb 0.49 -1.36 0.17 0.00 -0.04 0.00 0.00 33.50 32.76 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 -5.26 -4.95 0.00 2.03 0.56 -4.96 116.55 103.96 2k2c n ASP 35 Ca 0.00 0.06 -0.23 0.00 0.52 0.00 0.00 54.79 55.14 2k2c n ASP 35 Cb 0.54 -2.97 -0.00 0.00 -0.72 0.00 0.00 41.12 37.97 2k2c n ASP 35 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k2c s LYS 36 N -1.81 3.32 -0.19 -0.67 1.02 -1.03 -4.83 119.74 115.55 2k2c s LYS 36 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.50 2k2c s LYS 36 Cb 0.00 -2.67 0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2k2c s LYS 36 CO 0.00 0.05 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.80 2k2c s LEU 37 N -4.34 2.21 -0.10 3.17 2.01 -1.26 -0.52 118.68 119.86 2k2c s LEU 37 Ca 0.42 -0.74 -0.05 0.00 0.01 0.00 0.00 54.13 53.78 2k2c s LEU 37 Cb -0.10 -1.39 0.05 0.00 0.01 0.00 0.00 46.19 44.77 2k2c s LEU 37 CO 0.35 -0.06 0.23 -0.31 1.01 0.00 0.00 176.35 177.57 2k2c s TYR 38 N 1.33 -0.31 0.28 0.29 2.02 -0.84 -4.84 117.35 115.27 2k2c s TYR 38 Ca 0.02 0.78 0.01 0.00 -0.37 0.00 0.00 57.07 57.51 2k2c s TYR 38 Cb -0.14 -0.03 0.53 0.00 -0.40 0.00 0.00 41.96 41.91 2k2c s TYR 38 CO -0.11 -0.26 1.85 1.15 -1.57 0.00 0.00 175.55 176.61 2k2c h THR 39 N 6.08 0.96 -3.34 -0.71 2.02 -1.88 -0.38 112.91 115.66 2k2c h THR 39 Ca -0.30 -0.36 -0.65 0.00 0.77 0.00 0.00 66.41 65.87 2k2c h THR 39 Cb 1.14 -0.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.26 2k2c h THR 39 CO 0.28 0.19 -0.66 0.00 0.37 0.00 0.00 175.52 175.70 2k2c h ARG 41 N 3.44 0.84 0.00 0.00 0.11 -1.95 -2.97 114.38 113.85 2k2c h ARG 41 Ca -0.48 -0.28 -0.12 0.00 0.10 0.00 0.00 59.98 59.21 2k2c h ARG 41 Cb 1.16 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.16 2k2c h ARG 41 CO 0.60 0.90 -0.55 1.37 0.10 0.00 0.00 179.97 182.39 2k2c h LEU 42 N 0.76 0.00 -1.02 0.08 8.10 -1.97 -1.46 115.31 119.80 2k2c h LEU 42 Ca 0.13 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.02 2k2c h LEU 42 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 2k2c h LEU 42 CO 0.04 0.55 -0.44 0.00 -4.11 0.00 0.00 178.44 174.48 2k2c h HIS 44 N 0.10 0.04 -0.39 0.00 -0.00 -1.29 -3.26 115.15 110.34 2k2c h HIS 44 Ca 0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 2k2c h HIS 44 Cb 0.81 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 2k2c h HIS 44 CO 0.01 0.34 0.26 0.22 -0.00 0.00 0.00 177.93 178.75 2k2c h ASP 45 N -0.27 0.35 -0.79 3.26 3.58 -0.95 -1.01 116.42 120.58 2k2c h ASP 45 Ca 0.01 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 2k2c h ASP 45 Cb 0.32 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 2k2c h ASP 45 CO 0.00 0.24 0.50 -1.13 -2.88 0.00 0.00 179.24 175.98 2k2c h ASN 46 N 0.41 0.83 0.24 2.28 -1.24 -1.25 -3.21 115.58 113.64 2k2c h ASN 46 Ca 0.16 -0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.83 2k2c h ASN 46 Cb 0.13 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 2k2c h ASN 46 CO -0.04 0.57 -1.98 0.59 -1.29 0.00 0.00 177.43 175.28 2k2c n ASN 47 N -4.60 1.41 -4.92 1.15 3.02 -0.90 -4.99 115.26 105.43 2k2c n ASN 47 Ca 0.09 0.23 -0.27 0.00 -0.03 0.00 0.00 54.58 54.60 2k2c n ASN 47 Cb 0.09 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 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 -2.56 3.57 0.00 3.52 0.41 -0.43 -4.99 118.70 118.21 2k2c s GLU 48 Ca -0.16 -0.06 0.30 0.00 -0.41 0.00 0.00 54.97 54.65 2k2c s GLU 48 Cb 0.07 -2.59 1.49 0.00 -1.78 0.00 0.00 34.13 31.32 2k2c s GLU 48 CO 0.78 0.10 2.01 -0.40 -0.49 0.00 0.00 175.26 177.26 2k2c n ASP 49 N -1.51 0.29 -4.16 -0.19 5.75 -1.26 -4.79 116.55 110.68 2k2c n ASP 49 Ca -0.02 -0.66 -0.11 0.00 -0.01 0.00 0.00 54.79 53.99 2k2c n ASP 49 Cb 0.55 -0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 2k2c n ASP 49 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2k2c s HIS 50 N -2.33 1.02 0.01 2.11 -3.43 -1.26 -5.17 115.29 106.24 2k2c s HIS 50 Ca 0.35 -1.27 -0.02 0.00 -0.80 0.00 0.00 55.06 53.32 2k2c s HIS 50 Cb 0.21 -0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 30.88 2k2c s HIS 50 CO 0.43 -0.69 0.19 -0.65 -2.00 0.00 0.00 174.74 172.02 2k2c s GLN 51 N -4.13 3.44 -0.40 -0.38 -0.21 -1.26 -4.55 119.66 112.16 2k2c s GLN 51 Ca 0.36 -0.34 -0.24 0.00 0.02 0.00 0.00 55.36 55.15 2k2c s GLN 51 Cb 0.06 -3.08 0.02 0.00 1.00 0.00 0.00 33.01 31.00 2k2c s GLN 51 CO 0.11 0.66 0.86 -1.17 -2.12 0.00 0.00 175.29 173.63 2k2c s LEU 52 N -2.07 4.08 -0.43 2.90 0.20 -1.26 -5.03 118.68 117.08 2k2c s LEU 52 Ca 0.29 0.29 -0.27 0.00 0.69 0.00 0.00 54.13 55.13 2k2c s LEU 52 Cb -0.13 -3.12 0.02 0.00 -0.43 0.00 0.00 46.19 42.53 2k2c s LEU 52 CO 0.21 -0.87 1.01 -1.81 -0.29 0.00 0.00 176.35 174.59 2k2c s ASP 53 N 2.00 6.64 0.55 3.68 1.01 -1.26 -4.94 116.67 124.35 2k2c s ASP 53 Ca 0.34 0.45 0.23 0.00 0.71 0.00 0.00 52.55 54.29 2k2c s ASP 53 Cb -0.12 -2.50 1.53 0.00 1.01 0.00 0.00 42.92 42.84 2k2c s ASP 53 CO 0.21 -1.05 2.18 0.08 0.21 0.00 0.00 175.17 176.80 2k2c h ARG 54 N 8.86 0.00 0.00 8.23 -0.00 -1.93 -1.81 114.38 127.73 2k2c h ARG 54 Ca -0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.64 2k2c h ARG 54 Cb 1.07 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.02 2k2c h ARG 54 CO 1.05 0.03 -0.52 0.74 -0.00 0.00 0.00 179.97 181.27 2k2c h PHE 55 N 0.00 0.00 -0.12 4.08 0.04 -1.90 -3.02 116.94 116.02 2k2c h PHE 55 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2k2c h PHE 55 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2k2c h PHE 55 CO 0.00 0.52 -0.62 0.87 -0.60 0.00 0.00 178.31 178.48 2k2c h LYS 56 N 0.00 0.43 -6.27 1.51 1.79 -1.75 -3.42 116.57 108.86 2k2c h LYS 56 Ca -0.01 -0.30 -0.57 0.00 -2.18 0.00 0.00 60.65 57.60 2k2c h LYS 56 Cb 0.96 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 2k2c h LYS 56 CO 0.07 0.92 1.18 0.08 -1.08 0.00 0.00 179.45 180.61 2k2c s VAL 57 N -3.82 3.59 -0.08 0.50 1.01 -1.14 -4.72 120.40 115.74 2k2c s VAL 57 Ca -0.06 0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.68 2k2c s VAL 57 Cb 0.11 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.70 2k2c s VAL 57 CO 0.83 -0.29 0.12 1.17 0.00 0.00 0.00 175.10 176.93 2k2c n LYS 58 N 7.86 1.53 -2.90 2.72 3.00 -1.26 -4.97 118.16 124.14 2k2c n LYS 58 Ca 0.20 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.31 58.29 2k2c n LYS 58 Cb 0.45 -1.29 0.04 0.00 0.00 0.00 0.00 35.03 34.23 2k2c n LYS 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k2c n GLU 59 N -2.26 0.72 -3.62 1.64 1.02 -1.26 -2.64 120.64 114.25 2k2c n GLU 59 Ca -0.13 -2.67 -0.10 0.00 -0.02 0.00 0.00 57.16 54.24 2k2c n GLU 59 Cb 0.68 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 2k2c n GLU 59 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2k2c n VAL 60 N -1.88 0.00 -4.14 2.62 0.24 -0.32 -3.25 118.33 111.59 2k2c n VAL 60 Ca 0.08 -1.21 -0.09 0.00 -2.04 0.00 0.00 64.34 61.08 2k2c n VAL 60 Cb 0.50 0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 33.71 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 -2.36 0.77 -0.28 7.34 -2.07 -0.36 -1.81 119.66 120.89 2k2c s GLN 61 Ca 0.20 -1.30 -0.16 0.00 -1.82 0.00 0.00 55.36 52.28 2k2c s GLN 61 Cb -0.03 -0.05 -0.03 0.00 -1.09 0.00 0.00 33.01 31.81 2k2c s GLN 61 CO 0.14 -0.06 0.40 0.00 -1.32 0.00 0.00 175.29 174.46 2k2c h ILE 63 N 5.42 1.27 -1.22 0.00 2.04 -1.80 0.24 117.51 123.46 2k2c h ILE 63 Ca -0.31 -1.31 -0.75 0.00 1.00 0.00 0.00 64.86 63.50 2k2c h ILE 63 Cb 1.15 1.65 -0.13 0.00 -0.74 0.00 0.00 36.82 38.75 2k2c h ILE 63 CO 0.67 0.38 2.25 -3.20 0.00 0.00 0.00 178.15 178.24 2k2c n ASN 64 N -4.09 6.06 0.00 1.72 5.15 -1.26 -3.72 115.26 119.12 2k2c n ASN 64 Ca -0.02 -3.09 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2k2c n ASN 64 Cb 0.41 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 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 -0.85 -2.06 0.00 1.02 0.84 -4.96 120.64 114.62 2k2c n GLU 66 Ca 0.00 0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 57.43 2k2c n GLU 66 Cb 0.00 -4.63 -0.03 0.00 -0.02 0.00 0.00 31.44 26.77 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 -2.40 4.19 -0.15 3.49 2.47 -1.20 -4.76 119.74 121.39 2k2c s LYS 67 Ca 0.00 2.12 -0.28 0.00 -1.56 0.00 0.00 55.97 56.25 2k2c s LYS 67 Cb 0.00 -3.91 -0.01 0.00 -1.46 0.00 0.00 37.83 32.45 2k2c s LYS 67 CO 0.00 -0.81 0.96 0.42 0.16 0.00 0.00 175.35 176.08 2k2c s ILE 68 N 3.79 4.79 0.13 5.43 -1.09 -1.26 -1.21 121.20 131.78 2k2c s ILE 68 Ca 0.71 1.92 -0.07 0.00 -2.23 0.00 0.00 60.65 60.97 2k2c s ILE 68 Cb -0.32 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.28 2k2c s ILE 68 CO 0.28 -0.02 0.21 0.00 -1.23 0.00 0.00 174.94 174.17 2k2c s GLN 69 N 2.26 1.00 0.67 2.79 -2.07 -0.75 -5.01 119.66 118.54 2k2c s GLN 69 Ca 0.45 -1.14 -0.17 0.00 -1.82 0.00 0.00 55.36 52.67 2k2c s GLN 69 Cb -0.17 0.34 -0.01 0.00 -1.09 0.00 0.00 33.01 32.08 2k2c s GLN 69 CO 0.14 -0.33 1.10 -2.39 -1.32 0.00 0.00 175.29 172.49 2k2c n HIS 70 N -0.13 1.22 -1.86 9.60 1.44 -1.26 -1.17 115.22 123.05 2k2c n HIS 70 Ca -0.10 0.42 -0.25 0.00 -2.01 0.00 0.00 57.72 55.77 2k2c n HIS 70 Cb 0.63 -2.17 -0.05 0.00 0.12 0.00 0.00 29.99 28.52 2k2c n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k2c s ALA 71 N -1.59 1.45 0.09 1.59 0.00 -1.08 -4.57 121.76 117.65 2k2c s ALA 71 Ca 0.78 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.81 2k2c s ALA 71 Cb -0.37 -4.50 -0.03 0.00 0.00 0.00 0.00 23.12 18.21 2k2c s ALA 71 CO 0.45 -4.97 -0.24 -1.14 0.00 0.00 0.00 175.76 169.86 2k2c s GLN 72 N 7.69 1.39 0.55 0.00 0.74 -1.26 -5.05 119.66 123.72 2k2c s GLN 72 Ca 0.79 -1.16 0.32 0.00 0.05 0.00 0.00 55.36 55.36 2k2c s GLN 72 Cb -0.10 -1.67 1.55 0.00 1.10 0.00 0.00 33.01 33.88 2k2c s GLN 72 CO 0.08 0.41 2.08 0.37 -0.55 0.00 0.00 175.29 177.67 2k2c h GLN 73 N 4.34 0.00 -5.32 1.67 4.15 -1.95 -3.43 115.11 114.56 2k2c h GLN 73 Ca -0.47 0.00 -0.40 0.00 0.77 0.00 0.00 58.65 58.55 2k2c h GLN 73 Cb 1.17 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.66 2k2c h GLN 73 CO 0.41 0.08 -0.77 0.99 -1.93 0.00 0.00 178.83 177.62 2k2c s THR 74 N -3.99 1.17 -0.54 2.39 2.01 -1.26 -1.37 115.64 114.03 2k2c s THR 74 Ca -0.02 -1.49 -0.27 0.00 0.31 0.00 0.00 61.69 60.22 2k2c s THR 74 Cb 0.12 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.39 2k2c s THR 74 CO 0.55 -0.33 1.09 0.00 -0.69 0.00 0.00 174.62 175.24 2k2c h GLU 76 N 9.39 0.08 -0.42 0.00 9.09 -1.96 0.39 114.58 131.15 2k2c h GLU 76 Ca -0.25 -0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.04 2k2c h GLU 76 Cb 1.06 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.13 2k2c h GLU 76 CO 1.14 0.05 -0.20 1.49 0.05 0.00 0.00 179.01 181.54 2k2c h GLU 77 N 0.08 0.81 0.00 1.06 4.57 -1.99 -3.39 114.58 115.72 2k2c h GLU 77 Ca 0.28 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 2k2c h GLU 77 Cb 1.01 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.44 2k2c h GLU 77 CO -0.02 0.94 -0.42 0.00 -1.18 0.00 0.00 179.01 178.33 2k2c n SER 79 N 0.11 -5.62 -4.55 0.00 7.64 0.13 -4.93 113.62 106.40 2k2c n SER 79 Ca -0.06 0.20 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 2k2c n SER 79 Cb 0.74 -4.76 -0.03 0.00 -1.01 0.00 0.00 64.21 59.15 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 -2.90 3.63 -0.42 0.44 2.01 -1.22 -4.78 115.64 112.41 2k2c s THR 80 Ca 0.00 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 2k2c s THR 80 Cb 0.00 -4.61 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 2k2c s THR 80 CO 0.00 -1.56 1.88 -0.22 -0.69 0.00 0.00 174.62 174.03 2k2c s LEU 81 N 6.82 3.43 0.14 4.42 2.96 -1.26 -1.19 118.68 134.00 2k2c s LEU 81 Ca 0.47 1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 55.26 2k2c s LEU 81 Cb -0.08 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.48 2k2c s LEU 81 CO 0.13 -2.01 1.66 -0.26 -1.32 0.00 0.00 176.35 174.55 2k2c h PHE 82 N 14.08 0.75 -2.55 5.38 0.04 -1.55 -3.43 116.94 129.67 2k2c h PHE 82 Ca -0.31 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.28 2k2c h PHE 82 Cb 1.18 -0.21 -0.22 0.00 2.20 0.00 0.00 35.95 38.89 2k2c h PHE 82 CO 0.98 0.68 -0.11 0.20 -0.60 0.00 0.00 178.31 179.46 2k2c s GLY 83 N -3.13 -0.36 0.05 -1.45 0.00 -1.25 -2.52 107.32 98.67 2k2c s GLY 83 Ca -0.13 1.19 -0.20 0.00 0.00 0.00 0.00 44.72 45.58 2k2c s GLY 83 CO 0.78 0.97 1.42 0.83 0.00 0.00 0.00 173.10 177.11 2k2c h GLU 84 N 4.75 0.33 -6.25 2.90 5.08 -1.73 -3.43 114.58 116.22 2k2c h GLU 84 Ca -0.28 -0.14 -0.56 0.00 -1.00 0.00 0.00 59.36 57.38 2k2c h GLU 84 Cb 1.17 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2k2c h GLU 84 CO 0.26 0.62 0.01 -0.47 -1.00 0.00 0.00 179.01 178.43 2k2c s TYR 85 N -4.66 3.80 0.02 4.33 5.04 0.48 -4.86 117.35 121.51 2k2c s TYR 85 Ca -0.14 1.32 0.02 0.00 -2.44 0.00 0.00 57.07 55.83 2k2c s TYR 85 Cb 0.06 -2.57 -0.02 0.00 0.35 0.00 0.00 41.96 39.79 2k2c s TYR 85 CO 0.74 0.53 -0.08 1.52 -1.34 0.00 0.00 175.55 176.91 2k2c s TYR 86 N -0.92 0.70 -0.16 4.97 1.13 -1.26 -1.55 117.35 120.26 2k2c s TYR 86 Ca 0.31 -0.30 -0.04 0.00 -1.41 0.00 0.00 57.07 55.62 2k2c s TYR 86 Cb -0.20 -0.43 0.08 0.00 -1.10 0.00 0.00 41.96 40.31 2k2c s TYR 86 CO 0.20 -0.03 0.21 0.00 -2.51 0.00 0.00 175.55 173.41 2k2c h ASP 88 N 8.33 0.00 -0.57 0.00 2.03 -1.92 -0.36 116.42 123.92 2k2c h ASP 88 Ca -0.16 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.13 2k2c h ASP 88 Cb 1.14 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 2k2c h ASP 88 CO 0.23 0.80 0.29 0.40 -1.03 0.00 0.00 179.24 179.93 2k2c h ILE 89 N 0.00 1.20 -0.02 4.15 2.04 -1.96 -2.82 117.51 120.10 2k2c h ILE 89 Ca -0.01 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2k2c h ILE 89 Cb 1.48 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2k2c h ILE 89 CO 0.10 0.22 -0.44 0.00 0.00 0.00 0.00 178.15 178.04 2k2c n HIS 91 N 0.10 0.00 -3.48 0.00 -0.00 -0.20 -4.83 115.22 106.81 2k2c n HIS 91 Ca 0.10 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.91 2k2c n HIS 91 Cb 0.48 -1.86 -0.07 0.00 -0.12 0.00 0.00 29.99 28.41 2k2c n HIS 91 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 2k2c s LEU 92 N -0.22 4.20 -0.17 0.27 0.05 -0.88 -4.93 118.68 117.01 2k2c s LEU 92 Ca 0.00 0.48 -0.01 0.00 0.05 0.00 0.00 54.13 54.65 2k2c s LEU 92 Cb 0.00 -2.41 0.05 0.00 -2.05 0.00 0.00 46.19 41.78 2k2c s LEU 92 CO 0.00 0.03 -0.01 -0.36 -0.55 0.00 0.00 176.35 175.45 2k2c s PHE 93 N 0.85 1.41 0.33 3.48 0.08 -1.26 -1.33 117.98 121.54 2k2c s PHE 93 Ca 0.17 -0.97 0.01 0.00 0.12 0.00 0.00 56.93 56.26 2k2c s PHE 93 Cb -0.14 -1.18 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 2k2c s PHE 93 CO 0.06 -0.60 0.38 0.16 -0.10 0.00 0.00 175.22 175.11 2k2c s ASP 94 N 1.73 1.17 0.96 1.36 -4.77 -0.60 -4.59 116.67 111.93 2k2c s ASP 94 Ca -0.00 -1.58 -0.11 0.00 -3.30 0.00 0.00 52.55 47.56 2k2c s ASP 94 Cb -0.16 0.60 0.17 0.00 -1.09 0.00 0.00 42.92 42.44 2k2c s ASP 94 CO -0.07 -1.18 1.11 -0.54 0.70 0.00 0.00 175.17 175.19 2k2c s LYS 95 N -3.29 0.67 -0.33 2.11 1.02 -0.94 -0.38 119.74 118.61 2k2c s LYS 95 Ca 0.35 1.29 -0.29 0.00 0.02 0.00 0.00 55.97 57.34 2k2c s LYS 95 Cb 0.01 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 2k2c s LYS 95 CO 0.23 -2.78 1.58 0.34 -0.92 0.00 0.00 175.35 173.80 2k2c s ASP 96 N -2.76 6.22 -0.23 2.83 2.15 -1.26 -4.39 116.67 119.24 2k2c s ASP 96 Ca 0.66 1.21 0.22 0.00 0.43 0.00 0.00 52.55 55.08 2k2c s ASP 96 Cb -0.22 -2.53 0.49 0.00 -0.30 0.00 0.00 42.92 40.36 2k2c s ASP 96 CO 0.59 -1.45 1.13 0.29 -0.17 0.00 0.00 175.17 175.55 2k2c n LYS 97 N 8.03 1.63 -0.77 4.34 5.02 -1.26 -4.97 118.16 130.18 2k2c n LYS 97 Ca 0.19 -3.35 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 2k2c n LYS 97 Cb 0.47 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.47 -0.33 -2.36 1.97 4.76 -1.26 -4.16 118.16 116.32 2k2c n LYS 98 Ca 0.10 0.08 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 2k2c n LYS 98 Cb 0.86 -3.88 -0.01 0.00 -1.84 0.00 0.00 35.03 30.16 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 -0.79 3.58 -0.05 1.97 0.00 -1.24 -2.48 119.66 120.65 2k2c s GLN 99 Ca 0.00 1.55 0.03 0.00 -0.00 0.00 0.00 55.36 56.94 2k2c s GLN 99 Cb 0.00 -2.11 0.01 0.00 0.00 0.00 0.00 33.01 30.91 2k2c s GLN 99 CO 0.00 -0.65 -0.13 1.52 0.00 0.00 0.00 175.29 176.03 2k2c s TYR 100 N -1.80 1.42 -0.56 9.60 1.13 -1.25 -4.90 117.35 120.99 2k2c s TYR 100 Ca 0.69 -0.48 -0.23 0.00 -1.41 0.00 0.00 57.07 55.64 2k2c s TYR 100 Cb -0.22 -1.02 0.05 0.00 -1.10 0.00 0.00 41.96 39.67 2k2c s TYR 100 CO 0.26 -0.23 0.91 -1.58 -2.51 0.00 0.00 175.55 172.40 2k2c s HIS 101 N 0.47 2.80 -0.24 -3.49 2.46 -1.26 -3.78 115.29 112.24 2k2c s HIS 101 Ca -0.11 -0.17 -0.24 0.00 0.47 0.00 0.00 55.06 55.02 2k2c s HIS 101 Cb -0.14 -4.04 -0.01 0.00 -0.13 0.00 0.00 32.58 28.26 2k2c s HIS 101 CO 0.03 -1.36 0.80 0.00 -2.47 0.00 0.00 174.74 171.73 2k2c h GLU 103 N 7.71 0.43 -0.14 0.00 5.08 -1.92 0.33 114.58 126.07 2k2c h GLU 103 Ca -0.24 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 2k2c h GLU 103 Cb 1.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2k2c h GLU 103 CO 0.86 0.97 0.03 -0.91 -1.00 0.00 0.00 179.01 178.95 2k2c h ASN 104 N 0.30 0.22 1.88 1.42 4.21 -1.95 -2.86 115.58 118.80 2k2c h ASN 104 Ca -0.03 -0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.22 2k2c h ASN 104 Cb 1.27 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2k2c h ASN 104 CO 0.12 0.41 -0.04 0.00 -1.29 0.00 0.00 177.43 176.63 2k2c n GLY 106 N 1.02 0.93 3.39 0.00 0.00 0.07 -5.02 105.19 105.60 2k2c n GLY 106 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.95 0.97 -0.08 -0.61 -4.36 -1.00 -4.84 121.20 108.32 2k2c s ILE 107 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 2k2c s ILE 107 Cb 0.00 -2.70 0.01 0.00 1.25 0.00 0.00 42.46 41.02 2k2c s ILE 107 CO 0.00 -0.03 -0.14 0.00 0.24 0.00 0.00 174.94 175.01 2k2c s ARG 109 N 0.76 1.46 -0.55 0.00 1.81 -1.25 -4.97 118.95 116.22 2k2c s ARG 109 Ca -0.12 -1.33 -0.27 0.00 -1.72 0.00 0.00 55.73 52.29 2k2c s ARG 109 Cb -0.16 -1.93 -0.03 0.00 -0.45 0.00 0.00 34.95 32.39 2k2c s ARG 109 CO 0.02 0.45 1.95 0.42 -0.68 0.00 0.00 175.30 177.46 2k2c s ILE 110 N -1.09 3.31 -0.28 1.52 -1.09 -1.26 -3.75 121.20 118.56 2k2c s ILE 110 Ca 0.15 0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.59 2k2c s ILE 110 Cb -0.10 -3.74 0.11 0.00 -1.58 0.00 0.00 42.46 37.15 2k2c s ILE 110 CO 0.07 -0.69 0.87 -0.83 -1.23 0.00 0.00 174.94 173.13 2k2c s GLY 111 N 8.52 -0.28 -0.16 6.18 0.00 -1.26 -4.97 107.32 115.36 2k2c s GLY 111 Ca 0.74 2.71 -0.29 0.00 0.00 0.00 0.00 44.72 47.88 2k2c s GLY 111 CO 0.23 2.29 1.83 2.56 0.00 0.00 0.00 173.10 180.01 2k2c s PRO 112 N 1.09 3.74 0.58 2.90 0.04 -1.25 -3.68 135.00 138.42 2k2c s PRO 112 Ca -0.06 1.98 0.32 0.00 0.04 0.00 0.00 61.00 63.28 2k2c s PRO 112 Cb -0.04 -4.14 1.80 0.00 0.04 0.00 0.00 34.50 32.16 2k2c s PRO 112 CO -0.13 -1.38 2.21 1.57 0.04 0.00 0.00 177.00 179.31 2k2c h LYS 113 N 11.60 0.00 -0.26 4.56 2.10 -1.72 0.54 116.57 133.39 2k2c h LYS 113 Ca -0.39 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.18 2k2c h LYS 113 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2k2c h LYS 113 CO 0.98 0.04 -0.17 1.05 -2.00 0.00 0.00 179.45 179.35 2k2c h GLU 114 N 0.00 0.45 0.00 0.07 9.09 -1.89 -3.35 114.58 118.96 2k2c h GLU 114 Ca -0.00 -0.14 -0.27 0.00 0.05 0.00 0.00 59.36 59.00 2k2c h GLU 114 Cb 0.14 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.15 2k2c h GLU 114 CO 0.01 0.61 -1.48 -3.47 0.05 0.00 0.00 179.01 174.73 2k2c n ASP 115 N -4.18 1.88 -4.72 3.06 2.03 -0.41 -4.93 116.55 109.27 2k2c n ASP 115 Ca 0.00 0.41 -0.40 0.00 0.52 0.00 0.00 54.79 55.32 2k2c n ASP 115 Cb 0.34 -0.93 -0.04 0.00 -0.72 0.00 0.00 41.12 39.77 2k2c n ASP 115 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2k2c s PHE 116 N -2.39 3.63 0.21 -0.67 0.40 0.05 -2.00 117.98 117.20 2k2c s PHE 116 Ca -0.30 1.41 0.07 0.00 -0.60 0.00 0.00 56.93 57.50 2k2c s PHE 116 Cb 0.07 -2.89 -0.05 0.00 0.51 0.00 0.00 43.02 40.66 2k2c s PHE 116 CO 0.56 0.09 -0.11 -0.59 0.70 0.00 0.00 175.22 175.87 2k2c s PHE 117 N 0.70 1.64 -0.29 0.36 -0.71 -0.72 -4.54 117.98 114.41 2k2c s PHE 117 Ca 0.42 -0.66 -0.11 0.00 -1.04 0.00 0.00 56.93 55.53 2k2c s PHE 117 Cb -0.19 -0.82 -0.04 0.00 -1.21 0.00 0.00 43.02 40.76 2k2c s PHE 117 CO 0.22 0.25 0.19 -1.58 -1.34 0.00 0.00 175.22 172.97 2k2c s HIS 118 N -3.09 3.21 0.18 3.49 2.46 -1.26 -2.03 115.29 118.24 2k2c s HIS 118 Ca 0.23 -0.02 -0.30 0.00 0.47 0.00 0.00 55.06 55.43 2k2c s HIS 118 Cb 0.01 -2.40 -0.09 0.00 -0.13 0.00 0.00 32.58 29.98 2k2c s HIS 118 CO 0.06 -0.23 1.37 0.00 -2.47 0.00 0.00 174.74 173.47 2k2c h LEU 120 N 5.83 0.00 -0.43 0.00 5.85 -1.93 -3.33 115.31 121.30 2k2c h LEU 120 Ca -0.44 -0.72 -0.14 0.00 0.84 0.00 0.00 57.88 57.42 2k2c h LEU 120 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2k2c h LEU 120 CO 0.81 1.05 -0.27 0.11 -0.34 0.00 0.00 178.44 179.80 2k2c h LYS 121 N -1.00 0.95 -3.25 1.25 1.79 -1.98 -3.35 116.57 110.98 2k2c h LYS 121 Ca -0.08 -0.44 -0.63 0.00 -2.18 0.00 0.00 60.65 57.31 2k2c h LYS 121 Cb 0.93 -0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 31.16 2k2c h LYS 121 CO -0.05 1.10 -0.63 0.00 -1.08 0.00 0.00 179.45 178.79 2k2c n ASN 123 N 2.87 0.06 -4.82 0.00 6.94 -1.25 -4.53 115.26 114.53 2k2c n ASN 123 Ca 0.09 -0.36 -0.33 0.00 -0.02 0.00 0.00 54.58 53.96 2k2c n ASN 123 Cb 0.33 -0.03 -0.06 0.00 -2.36 0.00 0.00 39.78 37.67 2k2c n ASN 123 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2k2c s LEU 124 N -0.67 3.85 -0.03 -4.53 2.96 -1.26 -4.75 118.68 114.24 2k2c s LEU 124 Ca 0.00 1.68 -0.24 0.00 -0.22 0.00 0.00 54.13 55.35 2k2c s LEU 124 Cb 0.00 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.12 2k2c s LEU 124 CO 0.00 -0.46 0.72 0.00 -1.32 0.00 0.00 176.35 175.29 2k2c n LEU 126 N 3.48 0.00 -4.96 0.00 4.32 -0.86 -4.98 117.00 113.99 2k2c n LEU 126 Ca -0.02 -3.07 -0.22 0.00 -0.02 0.00 0.00 56.01 52.69 2k2c n LEU 126 Cb 0.51 0.60 -0.00 0.00 -1.62 0.00 0.00 43.42 42.91 2k2c n LEU 126 CO 0.47 -0.45 0.14 0.00 -1.22 0.00 0.00 177.39 176.33 2k2c s ALA 127 N -2.94 3.90 0.31 -1.18 0.00 -1.26 -1.76 121.76 118.83 2k2c s ALA 127 Ca 0.08 -1.16 0.30 0.00 0.00 0.00 0.00 51.96 51.18 2k2c s ALA 127 Cb 0.00 -1.94 1.43 0.00 0.00 0.00 0.00 23.12 22.62 2k2c s ALA 127 CO 0.06 -0.09 2.03 1.98 0.00 0.00 0.00 175.76 179.73 2k2c h MET 128 N 0.75 0.00 0.00 0.00 4.05 -1.79 -0.74 114.93 117.19 2k2c h MET 128 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 2k2c h MET 128 Cb 1.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 2k2c h MET 128 CO 0.58 0.10 -0.04 -2.95 0.23 0.00 0.00 176.91 174.83 2k2c h ASN 129 N 0.00 0.00 0.24 1.39 -1.07 -1.96 -3.29 115.58 110.89 2k2c h ASN 129 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k2c h ASN 129 Cb 0.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.68 2k2c h ASN 129 CO 0.01 0.00 -0.34 0.18 0.07 0.00 0.00 177.43 177.35 2k2c n LEU 130 N -3.04 1.07 -0.09 6.14 7.99 -0.31 -4.26 117.00 124.50 2k2c n LEU 130 Ca 0.04 -0.29 -0.06 0.00 -0.01 0.00 0.00 56.01 55.69 2k2c n LEU 130 Cb 0.53 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 2k2c n LEU 130 CO 0.34 0.21 0.81 1.56 -1.51 0.00 0.00 177.39 178.80 2k2c h GLN 131 N 1.14 0.02 0.00 3.23 4.20 -1.56 -1.73 115.11 120.40 2k2c h GLN 131 Ca 0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2k2c h GLN 131 Cb 0.54 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2k2c h GLN 131 CO 0.00 0.01 -0.17 0.78 -0.67 0.00 0.00 178.83 178.78 2k2c h GLY 132 N 0.02 0.00 0.30 3.46 0.00 -1.84 -3.16 103.07 101.85 2k2c h GLY 132 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.25 2k2c h GLY 132 CO -0.32 0.00 -1.29 3.21 0.00 0.00 0.00 176.54 178.14 2k2c h ARG 133 N 0.00 0.13 -5.78 4.80 3.08 -1.77 -3.49 114.38 111.35 2k2c h ARG 133 Ca -0.00 -0.23 -0.30 0.00 0.07 0.00 0.00 59.98 59.52 2k2c h ARG 133 Cb 0.50 0.08 0.13 0.00 0.08 0.00 0.00 29.97 30.77 2k2c h ARG 133 CO 0.02 1.11 -0.82 0.72 -1.07 0.00 0.00 179.97 179.93 2k2c n HIS 134 N -4.12 -2.29 -2.71 3.04 8.25 -0.67 -4.95 115.22 111.77 2k2c n HIS 134 Ca -0.27 0.72 -0.43 0.00 -0.26 0.00 0.00 57.72 57.48 2k2c n HIS 134 Cb 0.80 -3.82 -0.00 0.00 1.12 0.00 0.00 29.99 28.08 2k2c n HIS 134 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2k2c s LYS 135 N -4.90 3.97 -0.06 -0.41 2.20 -1.26 -4.72 119.74 114.57 2k2c s LYS 135 Ca 0.41 -2.11 0.11 0.00 -0.36 0.00 0.00 55.97 54.02 2k2c s LYS 135 Cb -0.10 -5.34 0.29 0.00 -1.51 0.00 0.00 37.83 31.17 2k2c s LYS 135 CO 0.79 -2.07 1.22 0.00 -0.36 0.00 0.00 175.35 174.93