#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro s LYS 2 N 0.00 0.44 0.00 2.12 3.01 -1.26 -5.16 119.74 118.90 2wro s LYS 2 Ca 0.00 1.00 0.00 0.00 -1.01 0.00 0.00 55.97 55.96 2wro s LYS 2 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 37.83 37.00 2wro s LYS 2 CO 0.00 -0.19 0.00 2.41 0.51 0.00 0.00 175.35 178.08 2wro n THR 3 N 4.70 0.00 0.00 2.17 -1.04 -1.26 -5.10 114.28 113.75 2wro n THR 3 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2wro n THR 3 Cb 0.54 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2wro n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wro n TYR 4 N -0.39 0.00 -0.54 -1.42 4.02 -1.26 -5.14 117.16 112.44 2wro n TYR 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wro n TYR 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wro n TYR 4 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2wro n VAL 5 N -0.72 -0.07 -0.81 -0.72 0.31 -1.26 -4.85 118.33 110.21 2wro n VAL 5 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 2wro n VAL 5 Cb 0.00 -0.41 0.14 0.00 -0.91 0.00 0.00 33.84 32.65 2wro n VAL 5 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wro n PRO 6 N 1.54 2.02 0.00 5.55 -0.04 -1.26 -5.05 135.00 137.76 2wro n PRO 6 Ca 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 2wro n PRO 6 Cb 0.00 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2wro n PRO 6 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wro n LYS 7 N -0.79 0.00 -1.22 0.54 5.02 -1.26 -3.61 118.16 116.84 2wro n LYS 7 Ca 0.48 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2wro n LYS 7 Cb 1.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.39 2wro n LYS 7 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wro n GLN 8 N 0.00 -0.47 -1.72 1.97 6.02 -1.26 -4.81 117.38 117.10 2wro n GLN 8 Ca 0.00 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.59 2wro n GLN 8 Cb 0.00 0.04 0.06 0.00 1.02 0.00 0.00 30.24 31.36 2wro n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wro n VAL 9 N -0.47 4.47 -1.89 5.09 0.31 -1.24 -4.97 118.33 119.64 2wro n VAL 9 Ca 0.00 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 2wro n VAL 9 Cb 0.00 -1.52 0.02 0.00 -0.91 0.00 0.00 33.84 31.43 2wro n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wro s GLU 10 N -3.14 3.48 -0.62 5.55 2.56 -1.26 -4.96 118.70 120.30 2wro s GLU 10 Ca 0.78 0.69 -0.27 0.00 0.00 0.00 0.00 54.97 56.18 2wro s GLU 10 Cb -0.40 -2.08 -0.02 0.00 2.00 0.00 0.00 34.13 33.64 2wro s GLU 10 CO 0.44 -0.63 1.82 -1.25 -0.56 0.00 0.00 175.26 175.08 2wro s PRO 11 N -5.20 2.67 -0.52 4.30 0.04 -1.26 -4.95 135.00 130.07 2wro s PRO 11 Ca 0.55 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 2wro s PRO 11 Cb -0.11 -4.37 0.01 0.00 0.04 0.00 0.00 34.50 30.07 2wro s PRO 11 CO 0.53 -2.69 1.40 0.50 0.04 0.00 0.00 177.00 176.78 2wro s ARG 12 N 6.95 3.38 0.36 4.56 6.06 -1.26 -4.91 118.95 134.10 2wro s ARG 12 Ca 0.65 0.57 -0.09 0.00 -2.50 0.00 0.00 55.73 54.36 2wro s ARG 12 Cb -0.12 -4.09 -0.06 0.00 0.06 0.00 0.00 34.95 30.73 2wro s ARG 12 CO 0.20 -1.83 0.71 -1.58 -2.50 0.00 0.00 175.30 170.30 2wro s TRP 13 N 5.85 3.46 0.11 5.12 0.52 -1.26 -2.06 118.94 130.68 2wro s TRP 13 Ca 0.54 0.96 -0.16 0.00 0.02 0.00 0.00 56.10 57.46 2wro s TRP 13 Cb -0.11 -2.36 0.03 0.00 -1.15 0.00 0.00 33.47 29.88 2wro s TRP 13 CO 0.27 -0.01 0.39 0.08 0.02 0.00 0.00 176.95 177.70 2wro s VAL 14 N -2.25 0.07 -0.06 4.03 1.01 -1.21 -3.97 120.40 118.02 2wro s VAL 14 Ca 0.50 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2wro s VAL 14 Cb -0.10 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2wro s VAL 14 CO 0.29 -0.32 -0.04 -0.22 0.00 0.00 0.00 175.10 174.82 2wro s LEU 15 N -2.67 1.12 -0.17 3.92 1.98 -1.26 -1.82 118.68 119.79 2wro s LEU 15 Ca 0.02 -0.14 -0.04 0.00 -2.89 0.00 0.00 54.13 51.08 2wro s LEU 15 Cb 0.02 -0.49 0.08 0.00 0.66 0.00 0.00 46.19 46.45 2wro s LEU 15 CO -0.10 -0.10 0.17 -0.51 -1.89 0.00 0.00 176.35 173.92 2wro s ILE 16 N 1.27 -0.24 -0.14 6.68 2.07 -0.47 -1.88 121.20 128.47 2wro s ILE 16 Ca -0.05 -0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 58.95 2wro s ILE 16 Cb -0.14 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 2wro s ILE 16 CO -0.02 -0.17 0.54 -0.62 -1.91 0.00 0.00 174.94 172.76 2wro s ASP 17 N 2.27 6.69 -0.14 4.50 3.68 -1.26 -4.39 116.67 128.02 2wro s ASP 17 Ca 0.05 0.83 0.16 0.00 2.13 0.00 0.00 52.55 55.72 2wro s ASP 17 Cb -0.15 -2.31 0.44 0.00 -1.45 0.00 0.00 42.92 39.45 2wro s ASP 17 CO -0.10 -0.10 1.34 0.00 0.13 0.00 0.00 175.17 176.44 2wro n ALA 18 N 4.17 2.74 0.09 3.66 0.00 -1.26 -4.74 120.51 125.16 2wro n ALA 18 Ca -0.05 -2.16 0.01 0.00 0.00 0.00 0.00 53.44 51.24 2wro n ALA 18 Cb 0.51 -0.60 0.07 0.00 0.00 0.00 0.00 19.45 19.42 2wro n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wro n GLU 19 N -0.52 0.02 -0.15 0.00 -0.00 -1.26 -0.08 120.64 118.65 2wro n GLU 19 Ca 0.18 0.31 0.05 0.00 -0.00 0.00 0.00 57.16 57.71 2wro n GLU 19 Cb 0.77 -2.07 0.07 0.00 -0.00 0.00 0.00 31.44 30.21 2wro n GLU 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wro n GLY 20 N -1.18 2.72 3.38 -1.84 0.00 -1.26 -3.68 105.19 103.32 2wro n GLY 20 Ca -0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 2wro n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wro s LYS 21 N -1.55 1.50 -0.26 1.61 2.36 0.89 -4.77 119.74 119.52 2wro s LYS 21 Ca 0.15 -1.81 -0.28 0.00 -2.55 0.00 0.00 55.97 51.48 2wro s LYS 21 Cb 0.13 -0.62 0.01 0.00 -1.05 0.00 0.00 37.83 36.30 2wro s LYS 21 CO 0.01 -0.20 1.02 0.95 1.55 0.00 0.00 175.35 178.69 2wro s THR 22 N -3.46 4.65 0.37 3.43 -4.23 -1.26 0.62 115.64 115.76 2wro s THR 22 Ca 0.35 1.87 -0.28 0.00 -1.18 0.00 0.00 61.69 62.45 2wro s THR 22 Cb 0.08 -4.31 -0.11 0.00 1.34 0.00 0.00 72.50 69.49 2wro s THR 22 CO 0.13 -0.25 1.43 0.00 -0.54 0.00 0.00 174.62 175.39 2wro n LEU 23 N 6.43 4.40 0.00 4.79 -0.00 -1.17 -2.10 117.00 129.35 2wro n LEU 23 Ca 0.11 1.22 0.00 0.00 -0.00 0.00 0.00 56.01 57.34 2wro n LEU 23 Cb 0.47 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.31 2wro n LEU 23 CO 0.53 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.49 2wro n GLY 24 N 0.55 2.36 0.00 1.47 0.00 -1.26 -4.52 105.19 103.79 2wro n GLY 24 Ca 0.02 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.37 2wro n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro n ARG 25 N 0.00 0.04 -0.01 1.61 5.12 -1.05 0.46 116.66 122.82 2wro n ARG 25 Ca 0.00 0.23 -0.04 0.00 -1.93 0.00 0.00 57.85 56.11 2wro n ARG 25 Cb 0.00 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.79 2wro n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wro n LEU 26 N -1.46 1.46 -0.23 0.55 7.94 -0.89 -4.65 117.00 119.72 2wro n LEU 26 Ca 0.04 0.22 0.03 0.00 -1.11 0.00 0.00 56.01 55.20 2wro n LEU 26 Cb 0.16 -0.52 0.14 0.00 0.53 0.00 0.00 43.42 43.74 2wro n LEU 26 CO 0.13 -0.54 0.90 0.00 -1.11 0.00 0.00 177.39 176.77 2wro h ALA 27 N -0.46 0.80 -0.34 1.96 0.00 -1.76 -1.54 119.26 117.92 2wro h ALA 27 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2wro h ALA 27 Cb 0.44 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2wro h ALA 27 CO 0.00 -0.35 -0.20 -2.37 0.00 0.00 0.00 179.25 176.33 2wro n THR 28 N -5.19 -0.23 -0.03 0.00 5.66 0.17 -0.53 114.28 114.12 2wro n THR 28 Ca 0.12 1.81 -0.08 0.00 -3.05 0.00 0.00 64.05 62.85 2wro n THR 28 Cb 0.40 -2.34 -0.02 0.00 -1.55 0.00 0.00 70.33 66.83 2wro n THR 28 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2wro h LYS 29 N 0.00 -0.19 -0.92 1.09 1.57 -1.61 -1.83 116.57 114.68 2wro h LYS 29 Ca 0.05 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.11 2wro h LYS 29 Cb 0.14 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2wro h LYS 29 CO -0.32 -0.13 1.05 0.82 -0.57 0.00 0.00 179.45 180.30 2wro h ILE 30 N -0.20 0.08 0.03 1.86 2.04 0.18 0.35 117.51 121.85 2wro h ILE 30 Ca 0.12 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.61 2wro h ILE 30 Cb 0.39 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 2wro h ILE 30 CO -0.33 0.00 -2.31 0.00 0.00 0.00 0.00 178.15 175.51 2wro n ALA 31 N -2.28 1.32 -0.10 1.87 0.00 -0.71 -3.50 120.51 117.12 2wro n ALA 31 Ca 0.20 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 2wro n ALA 31 Cb 1.33 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 2wro n ALA 31 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wro h THR 32 N 0.02 1.20 -0.38 0.00 2.02 -0.84 -1.01 112.91 113.91 2wro h THR 32 Ca -0.52 -0.66 -0.25 0.00 0.77 0.00 0.00 66.41 65.75 2wro h THR 32 Cb 1.99 1.09 -0.10 0.00 -1.74 0.00 0.00 68.15 69.38 2wro h THR 32 CO -0.02 0.22 0.19 0.18 0.37 0.00 0.00 175.52 176.46 2wro n LEU 33 N -4.70 6.01 0.00 2.58 4.32 0.11 -2.34 117.00 122.97 2wro n LEU 33 Ca -0.02 -3.18 0.00 0.00 -0.02 0.00 0.00 56.01 52.79 2wro n LEU 33 Cb 0.17 -1.16 0.00 0.00 -1.62 0.00 0.00 43.42 40.81 2wro n LEU 33 CO 0.37 1.32 -0.14 -0.11 -1.22 0.00 0.00 177.39 177.61 2wro n LEU 34 N 1.04 0.45 -3.95 2.23 -0.00 -0.44 -4.75 117.00 111.57 2wro n LEU 34 Ca 0.27 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.98 2wro n LEU 34 Cb 0.60 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.88 2wro n LEU 34 CO 0.24 0.07 -0.25 0.00 -0.00 0.00 0.00 177.39 177.45 2wro s ARG 35 N -1.28 1.69 -0.31 1.96 1.70 -0.88 -3.12 118.95 118.70 2wro s ARG 35 Ca 0.00 -2.23 -0.07 0.00 -0.47 0.00 0.00 55.73 52.96 2wro s ARG 35 Cb 0.00 -3.15 -0.08 0.00 -0.57 0.00 0.00 34.95 31.14 2wro s ARG 35 CO 0.00 -1.04 0.77 0.41 -1.08 0.00 0.00 175.30 174.35 2wro n GLY 36 N 3.65 -0.15 0.00 3.88 0.00 -1.25 -4.61 105.19 106.71 2wro n GLY 36 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2wro n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wro n LYS 37 N 2.26 2.25 0.01 1.61 3.00 -1.21 -4.02 118.16 122.06 2wro n LYS 37 Ca 0.21 -0.03 0.11 0.00 -0.00 0.00 0.00 58.31 58.60 2wro n LYS 37 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 35.03 34.77 2wro n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2wro n HIS 38 N -0.33 0.09 -4.13 5.64 1.44 -1.26 -4.91 115.22 111.76 2wro n HIS 38 Ca 0.00 0.03 -0.36 0.00 -2.01 0.00 0.00 57.72 55.38 2wro n HIS 38 Cb 0.02 -0.24 -0.08 0.00 0.12 0.00 0.00 29.99 29.81 2wro n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2wro s ARG 39 N -3.12 3.22 0.00 -1.40 1.70 -1.26 -4.97 118.95 113.12 2wro s ARG 39 Ca 0.05 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 2wro s ARG 39 Cb 0.15 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.54 2wro s ARG 39 CO 0.82 0.73 0.10 -0.35 -1.08 0.00 0.00 175.30 175.52 2wro n PRO 40 N 2.10 0.11 -0.06 3.89 -0.04 -1.26 -2.58 135.00 137.16 2wro n PRO 40 Ca -0.19 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.20 2wro n PRO 40 Cb 0.54 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.58 2wro n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wro n ASP 41 N 0.83 2.67 0.00 3.54 2.03 -1.26 -5.09 116.55 119.27 2wro n ASP 41 Ca 0.00 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2wro n ASP 41 Cb 0.05 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2wro n ASP 41 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2wro n TRP 42 N -2.62 0.00 -3.64 -0.67 -0.00 -1.07 -4.81 117.44 104.64 2wro n TRP 42 Ca -0.20 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.04 2wro n TRP 42 Cb 0.80 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 31.94 2wro n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2wro s THR 43 N 0.00 0.03 -0.60 5.87 2.01 -1.26 -5.03 115.64 116.66 2wro s THR 43 Ca 0.00 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2wro s THR 43 Cb 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.87 2wro s THR 43 CO 0.00 -0.24 0.00 -0.81 -0.69 0.00 0.00 174.62 172.88 2wro n PRO 44 N 5.24 0.00 -2.67 4.92 -0.04 -1.26 -4.02 135.00 137.17 2wro n PRO 44 Ca -0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.35 2wro n PRO 44 Cb 0.49 -1.11 0.05 0.00 -0.04 0.00 0.00 33.50 32.89 2wro n PRO 44 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wro n ASN 45 N 0.62 -1.41 0.00 3.54 2.04 -1.26 -5.03 115.26 113.76 2wro n ASN 45 Ca 0.00 -1.32 0.00 0.00 -0.44 0.00 0.00 54.58 52.82 2wro n ASN 45 Cb 0.00 0.74 0.00 0.00 -2.53 0.00 0.00 39.78 37.99 2wro n ASN 45 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 2wro n VAL 46 N 2.13 0.00 -2.32 3.53 3.14 -1.26 -4.99 118.33 118.56 2wro n VAL 46 Ca 0.07 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.41 2wro n VAL 46 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.46 2wro n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wro n ALA 47 N -0.11 -0.16 0.21 1.55 0.00 -1.26 -4.87 120.51 115.87 2wro n ALA 47 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.58 2wro n ALA 47 Cb 0.00 -1.03 0.48 0.00 0.00 0.00 0.00 19.45 18.90 2wro n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro n MET 48 N -1.33 0.13 -1.29 0.00 0.00 -1.26 -4.73 117.12 108.64 2wro n MET 48 Ca -0.03 0.56 -0.35 0.00 0.00 0.00 0.00 57.70 57.88 2wro n MET 48 Cb 0.52 -1.87 0.10 0.00 0.00 0.00 0.00 33.22 31.98 2wro n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wro n GLY 49 N -0.98 -0.25 2.57 3.17 0.00 -1.26 -4.68 105.19 103.76 2wro n GLY 49 Ca -0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 2wro n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wro n ASP 50 N -2.23 -3.26 -4.36 1.61 9.92 -1.18 -4.67 116.55 112.38 2wro n ASP 50 Ca 0.13 -0.53 -0.26 0.00 -0.53 0.00 0.00 54.79 53.59 2wro n ASP 50 Cb 0.50 -0.72 -0.12 0.00 -0.64 0.00 0.00 41.12 40.13 2wro n ASP 50 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2wro s PHE 51 N -1.85 2.12 -0.03 1.24 0.40 -0.87 -4.63 117.98 114.35 2wro s PHE 51 Ca 0.41 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2wro s PHE 51 Cb -0.07 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.37 2wro s PHE 51 CO 0.34 0.34 0.03 0.08 0.70 0.00 0.00 175.22 176.71 2wro s VAL 52 N -1.32 -0.02 -0.17 -0.44 1.01 -1.25 -3.34 120.40 114.86 2wro s VAL 52 Ca 0.14 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 2wro s VAL 52 Cb -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2wro s VAL 52 CO 0.06 0.13 0.06 -0.69 0.00 0.00 0.00 175.10 174.66 2wro s VAL 53 N 1.37 4.76 -0.60 2.92 1.01 -0.75 -3.18 120.40 125.93 2wro s VAL 53 Ca -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2wro s VAL 53 Cb -0.13 -3.13 0.15 0.00 0.00 0.00 0.00 36.38 33.27 2wro s VAL 53 CO -0.03 0.48 0.37 -0.69 0.00 0.00 0.00 175.10 175.23 2wro s VAL 54 N 0.21 2.97 0.97 2.92 1.01 -0.80 -1.37 120.40 126.31 2wro s VAL 54 Ca 0.04 -3.48 -0.16 0.00 0.00 0.00 0.00 61.98 58.38 2wro s VAL 54 Cb -0.12 -2.99 0.23 0.00 0.00 0.00 0.00 36.38 33.50 2wro s VAL 54 CO 0.00 -0.87 1.08 0.55 0.00 0.00 0.00 175.10 175.86 2wro n VAL 55 N 2.91 0.00 -3.39 2.92 3.14 -1.26 -2.68 118.33 119.96 2wro n VAL 55 Ca 0.09 -0.65 -0.26 0.00 -2.96 0.00 0.00 64.34 60.56 2wro n VAL 55 Cb 0.34 -1.39 0.01 0.00 -1.06 0.00 0.00 33.84 31.74 2wro n VAL 55 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2wro n ASN 56 N -4.19 -4.23 0.00 6.55 4.05 -1.25 -4.62 115.26 111.57 2wro n ASN 56 Ca 0.14 -0.55 0.00 0.00 0.45 0.00 0.00 54.58 54.63 2wro n ASN 56 Cb 0.52 -1.33 0.00 0.00 1.23 0.00 0.00 39.78 40.20 2wro n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wro n ALA 57 N -1.41 0.00 0.00 5.20 0.00 -0.50 -4.15 120.51 119.64 2wro n ALA 57 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wro n ALA 57 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2wro n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wro n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.25 -4.41 116.55 116.64 2wro n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wro n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wro n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wro n LYS 59 N 0.00 0.00 -1.60 0.11 4.76 -1.26 -4.52 118.16 115.66 2wro n LYS 59 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 2wro n LYS 59 Cb 0.00 -2.49 -0.01 0.00 -1.84 0.00 0.00 35.03 30.69 2wro n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wro n ILE 60 N -1.14 2.09 -2.04 -0.18 5.41 -1.24 -4.45 119.36 117.81 2wro n ILE 60 Ca 0.00 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.94 2wro n ILE 60 Cb 0.00 -1.06 -0.00 0.00 -0.71 0.00 0.00 39.64 37.87 2wro n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2wro s ARG 61 N -1.69 3.67 -0.25 0.38 1.81 0.20 -4.94 118.95 118.14 2wro s ARG 61 Ca 0.60 0.75 -0.12 0.00 -1.72 0.00 0.00 55.73 55.24 2wro s ARG 61 Cb -0.65 -2.11 0.09 0.00 -0.45 0.00 0.00 34.95 31.82 2wro s ARG 61 CO 0.59 -0.48 0.58 0.54 -0.68 0.00 0.00 175.30 175.86 2wro s VAL 62 N -3.03 -0.27 0.00 3.52 0.11 -1.26 -3.04 120.40 116.43 2wro s VAL 62 Ca 0.55 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 2wro s VAL 62 Cb -0.11 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2wro s VAL 62 CO 0.48 0.02 0.00 0.41 -3.33 0.00 0.00 175.10 172.68 2wro n THR 63 N 4.65 0.00 0.00 5.04 -1.04 -1.26 -4.93 114.28 116.74 2wro n THR 63 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2wro n THR 63 Cb 0.55 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2wro n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wro n GLY 64 N 0.00 -2.01 3.55 3.41 0.00 -1.26 -4.81 105.19 104.07 2wro n GLY 64 Ca 0.00 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2wro n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 65 N 0.00 2.75 -0.20 1.61 1.02 -1.26 -4.70 119.74 118.96 2wro s LYS 65 Ca 0.00 0.16 0.20 0.00 0.02 0.00 0.00 55.97 56.35 2wro s LYS 65 Cb 0.00 -4.58 0.47 0.00 -0.52 0.00 0.00 37.83 33.20 2wro s LYS 65 CO 0.00 -2.78 1.15 1.63 -0.92 0.00 0.00 175.35 174.43 2wro n LYS 66 N 9.12 1.65 -3.75 1.68 5.02 -1.26 -4.47 118.16 126.15 2wro n LYS 66 Ca 0.23 -3.26 -0.33 0.00 -2.02 0.00 0.00 58.31 52.94 2wro n LYS 66 Cb 0.50 -1.35 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 2wro n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wro s LEU 67 N -2.82 5.20 0.00 -0.35 1.43 -1.26 -4.42 118.68 116.45 2wro s LEU 67 Ca 0.34 -3.57 0.00 0.00 -1.03 0.00 0.00 54.13 49.87 2wro s LEU 67 Cb 0.36 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.78 2wro s LEU 67 CO -0.06 -0.19 0.00 -0.62 0.23 0.00 0.00 176.35 175.71 2wro n GLU 68 N 2.47 0.00 -0.65 1.70 1.02 -1.26 -4.87 120.64 119.05 2wro n GLU 68 Ca 0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.27 2wro n GLU 68 Cb 0.36 -0.35 0.19 0.00 -0.02 0.00 0.00 31.44 31.62 2wro n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wro n GLN 69 N -2.00 2.72 -3.62 3.49 1.13 -1.26 -4.77 117.38 113.07 2wro n GLN 69 Ca 0.00 -1.92 -0.15 0.00 -1.94 0.00 0.00 57.00 52.99 2wro n GLN 69 Cb 0.00 -1.87 -0.07 0.00 0.11 0.00 0.00 30.24 28.41 2wro n GLN 69 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wro s LYS 70 N -2.08 0.86 0.05 -1.09 2.20 -1.26 -4.74 119.74 113.68 2wro s LYS 70 Ca 0.35 0.83 -0.09 0.00 -0.36 0.00 0.00 55.97 56.70 2wro s LYS 70 Cb 0.28 0.42 -0.00 0.00 -1.51 0.00 0.00 37.83 37.01 2wro s LYS 70 CO 0.09 -0.14 0.17 0.42 -0.36 0.00 0.00 175.35 175.53 2wro s ILE 71 N 0.07 0.12 0.12 5.43 1.01 -1.26 -0.71 121.20 125.98 2wro s ILE 71 Ca -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2wro s ILE 71 Cb -0.04 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 2wro s ILE 71 CO 0.03 -0.54 0.37 -0.31 0.00 0.00 0.00 174.94 174.48 2wro s TYR 72 N -2.81 3.49 -0.55 3.97 1.51 -0.78 -4.94 117.35 117.25 2wro s TYR 72 Ca -0.03 0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 56.54 2wro s TYR 72 Cb 0.00 -2.01 0.14 0.00 -0.11 0.00 0.00 41.96 39.98 2wro s TYR 72 CO -0.05 0.46 0.40 0.99 -1.11 0.00 0.00 175.55 176.24 2wro s THR 73 N -1.60 4.02 -0.55 -0.71 2.01 -1.26 -3.47 115.64 114.08 2wro s THR 73 Ca 0.39 -2.33 -0.06 0.00 0.31 0.00 0.00 61.69 60.01 2wro s THR 73 Cb -0.12 -3.63 0.14 0.00 0.01 0.00 0.00 72.50 68.90 2wro s THR 73 CO 0.23 -0.82 0.39 -0.60 -0.69 0.00 0.00 174.62 173.13 2wro s ARG 74 N 0.69 2.51 -0.17 4.92 3.52 -1.20 -5.00 118.95 124.22 2wro s ARG 74 Ca 0.11 -2.16 -0.15 0.00 -0.13 0.00 0.00 55.73 53.41 2wro s ARG 74 Cb -0.22 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 2wro s ARG 74 CO -0.03 -1.17 0.34 -0.47 -0.81 0.00 0.00 175.30 173.16 2wro s TYR 75 N 0.61 3.43 0.41 5.12 5.04 -1.26 -0.14 117.35 130.56 2wro s TYR 75 Ca 0.12 0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 55.36 2wro s TYR 75 Cb -0.21 -2.42 -0.02 0.00 0.35 0.00 0.00 41.96 39.66 2wro s TYR 75 CO -0.03 0.15 0.64 0.45 -1.34 0.00 0.00 175.55 175.41 2wro s SER 76 N 0.69 6.14 0.00 4.32 0.15 0.10 -4.91 113.70 120.19 2wro s SER 76 Ca 0.18 0.50 0.14 0.00 0.70 0.00 0.00 55.95 57.47 2wro s SER 76 Cb -0.14 -1.93 0.84 0.00 -1.71 0.00 0.00 66.02 63.09 2wro s SER 76 CO 0.06 -0.48 1.26 0.61 1.20 0.00 0.00 173.24 175.88 2wro n GLY 77 N -1.98 -0.49 3.98 9.45 0.00 -1.26 -4.61 105.19 110.28 2wro n GLY 77 Ca -0.02 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2wro n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wro s TYR 78 N -2.00 2.87 -0.11 1.61 1.51 -1.26 -5.03 117.35 114.93 2wro s TYR 78 Ca 0.21 -0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 2wro s TYR 78 Cb 0.10 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 2wro s TYR 78 CO 0.16 -0.76 1.48 -2.14 -1.11 0.00 0.00 175.55 173.18 2wro s PRO 79 N -4.67 4.19 0.00 -1.71 0.02 -1.26 -2.56 135.00 129.01 2wro s PRO 79 Ca 0.56 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2wro s PRO 79 Cb -0.10 -3.89 0.00 0.00 0.02 0.00 0.00 34.50 30.53 2wro s PRO 79 CO 0.37 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 2wro n GLY 80 N 3.93 0.31 0.63 0.52 0.00 -1.26 -4.84 105.19 104.48 2wro n GLY 80 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wro n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wro n GLY 81 N -1.28 1.49 3.53 -0.02 0.00 -1.06 -4.74 105.19 103.11 2wro n GLY 81 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wro n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wro s LEU 82 N 0.00 4.55 0.56 0.99 2.96 -1.26 -0.72 118.68 125.76 2wro s LEU 82 Ca 0.00 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2wro s LEU 82 Cb 0.00 -2.29 0.04 0.00 0.50 0.00 0.00 46.19 44.44 2wro s LEU 82 CO 0.00 -0.35 0.78 -0.75 -1.32 0.00 0.00 176.35 174.71 2wro s LYS 83 N 1.95 2.47 -0.11 1.98 2.20 0.80 -4.91 119.74 124.12 2wro s LYS 83 Ca 0.10 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2wro s LYS 83 Cb -0.17 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.68 2wro s LYS 83 CO 0.12 -0.76 -0.09 0.15 -0.36 0.00 0.00 175.35 174.40 2wro s LYS 84 N -4.77 1.64 -0.35 4.03 1.02 -1.26 -3.25 119.74 116.80 2wro s LYS 84 Ca 0.58 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 56.25 2wro s LYS 84 Cb -0.10 -1.59 0.11 0.00 -0.52 0.00 0.00 37.83 35.73 2wro s LYS 84 CO 0.39 -0.19 0.14 0.42 -0.92 0.00 0.00 175.35 175.19 2wro s ILE 85 N 1.44 0.92 1.25 2.17 1.01 -1.23 -4.97 121.20 121.79 2wro s ILE 85 Ca 0.00 -1.70 -0.19 0.00 0.00 0.00 0.00 60.65 58.76 2wro s ILE 85 Cb -0.13 -1.68 0.27 0.00 0.01 0.00 0.00 42.46 40.93 2wro s ILE 85 CO -0.06 -0.76 0.62 -0.81 0.00 0.00 0.00 174.94 173.93 2wro n PRO 86 N 4.46 -3.37 0.00 2.79 -0.04 -1.26 -1.87 135.00 135.70 2wro n PRO 86 Ca 0.02 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2wro n PRO 86 Cb 0.40 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 2wro n PRO 86 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wro n LEU 87 N -3.77 0.00 -0.23 1.53 -0.00 0.11 -3.13 117.00 111.52 2wro n LEU 87 Ca 0.08 0.95 0.22 0.00 -0.00 0.00 0.00 56.01 57.26 2wro n LEU 87 Cb 0.51 -0.45 0.40 0.00 -0.00 0.00 0.00 43.42 43.88 2wro n LEU 87 CO 0.39 -0.45 0.73 -0.62 -0.00 0.00 0.00 177.39 177.44 2wro n GLU 88 N -2.01 -0.04 0.23 1.96 1.02 -1.26 -0.71 120.64 119.83 2wro n GLU 88 Ca 0.00 0.97 -0.09 0.00 -0.02 0.00 0.00 57.16 58.02 2wro n GLU 88 Cb 0.00 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 29.64 2wro n GLU 88 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wro h LYS 89 N 0.00 -0.57 -1.88 3.49 1.79 -1.89 -2.83 116.57 114.68 2wro h LYS 89 Ca 0.59 0.04 0.55 0.00 -2.18 0.00 0.00 60.65 59.65 2wro h LYS 89 Cb 1.54 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 32.24 2wro h LYS 89 CO -0.55 -0.38 1.34 -1.33 -1.08 0.00 0.00 179.45 177.46 2wro n MET 90 N -3.61 -0.00 0.11 3.15 2.81 0.12 0.23 117.12 119.92 2wro n MET 90 Ca -0.07 1.08 0.13 0.00 -1.81 0.00 0.00 57.70 57.02 2wro n MET 90 Cb 0.23 -2.45 0.29 0.00 -0.71 0.00 0.00 33.22 30.58 2wro n MET 90 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2wro h LEU 91 N 0.00 0.00 -2.96 4.03 3.38 -1.42 -2.05 115.31 116.29 2wro h LEU 91 Ca 0.92 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.83 2wro h LEU 91 Cb 3.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 44.37 2wro h LEU 91 CO -0.06 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2wro n ALA 92 N -1.86 2.25 -3.49 1.53 0.00 0.64 -4.45 120.51 115.12 2wro n ALA 92 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2wro n ALA 92 Cb 0.45 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2wro n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2wro s THR 93 N -1.31 -0.98 -1.19 0.00 -1.32 -0.08 -4.92 115.64 105.83 2wro s THR 93 Ca 0.21 0.01 -0.10 0.00 -1.21 0.00 0.00 61.69 60.59 2wro s THR 93 Cb 0.13 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 2wro s THR 93 CO 0.11 0.00 0.76 1.41 -2.21 0.00 0.00 174.62 174.69 2wro n HIS 94 N 5.44 -1.99 0.28 9.09 8.25 -1.25 -4.11 115.22 130.93 2wro n HIS 94 Ca -0.08 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 2wro n HIS 94 Cb 0.50 -3.87 0.00 0.00 1.12 0.00 0.00 29.99 27.73 2wro n HIS 94 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2wro n PRO 95 N -4.06 0.28 0.00 -0.41 -0.04 -0.78 -2.76 135.00 127.24 2wro n PRO 95 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2wro n PRO 95 Cb 0.63 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 2wro n PRO 95 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wro n GLU 96 N 0.48 3.51 -0.02 0.54 0.00 -1.26 -3.76 120.64 120.12 2wro n GLU 96 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 2wro n GLU 96 Cb 0.09 -0.98 0.58 0.00 0.00 0.00 0.00 31.44 31.12 2wro n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wro h ARG 97 N 0.00 0.23 -1.00 3.44 3.08 -1.84 0.82 114.38 119.11 2wro h ARG 97 Ca 0.00 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.24 2wro h ARG 97 Cb 0.87 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.76 2wro h ARG 97 CO 0.00 0.15 0.61 0.28 -1.07 0.00 0.00 179.97 179.94 2wro h VAL 98 N 0.24 0.66 0.00 2.04 2.07 -1.82 0.25 116.25 119.68 2wro h VAL 98 Ca 0.24 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2wro h VAL 98 Cb 0.64 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2wro h VAL 98 CO -0.05 0.13 -0.10 0.25 0.02 0.00 0.00 177.57 177.82 2wro h LEU 99 N 0.70 0.00 -1.24 2.57 7.12 0.17 -2.94 115.31 121.69 2wro h LEU 99 Ca 0.59 -0.63 0.24 0.00 0.13 0.00 0.00 57.88 58.21 2wro h LEU 99 Cb 1.01 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 41.04 2wro h LEU 99 CO -0.39 0.87 0.64 -0.33 -0.13 0.00 0.00 178.44 179.09 2wro h GLU 100 N -1.00 0.49 0.07 1.25 5.08 0.30 -0.29 114.58 120.48 2wro h GLU 100 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wro h GLU 100 Cb 0.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2wro h GLU 100 CO -0.01 0.33 -0.03 0.45 -1.00 0.00 0.00 179.01 178.74 2wro h HIS 101 N 0.51 -0.09 -0.72 4.33 3.86 -0.70 0.69 115.15 123.03 2wro h HIS 101 Ca 0.59 -0.00 0.21 0.00 -1.16 0.00 0.00 60.37 60.00 2wro h HIS 101 Cb 1.29 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.76 2wro h HIS 101 CO -0.00 0.38 1.00 0.00 0.86 0.00 0.00 177.93 180.16 2wro h ALA 102 N -0.44 2.59 -0.22 2.45 0.00 -1.19 0.52 119.26 122.97 2wro h ALA 102 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wro h ALA 102 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wro h ALA 102 CO 0.02 -1.37 0.00 0.28 0.00 0.00 0.00 179.25 178.18 2wro n VAL 103 N -3.21 0.00 -0.24 0.00 0.31 -0.19 -4.34 118.33 110.66 2wro n VAL 103 Ca 0.16 0.46 0.23 0.00 -0.01 0.00 0.00 64.34 65.18 2wro n VAL 103 Cb 1.22 -1.44 0.42 0.00 -0.91 0.00 0.00 33.84 33.14 2wro n VAL 103 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wro n LYS 104 N -2.24 -0.04 -0.27 5.55 4.81 0.24 0.18 118.16 126.39 2wro n LYS 104 Ca 0.00 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 2wro n LYS 104 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.31 2wro n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wro n GLY 105 N -1.21 2.22 0.00 3.14 0.00 0.17 -3.46 105.19 106.06 2wro n GLY 105 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2wro n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wro n MET 106 N 1.08 0.00 -2.31 1.61 2.81 0.48 -4.98 117.12 115.81 2wro n MET 106 Ca 0.00 -0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 2wro n MET 106 Cb 0.49 -0.05 0.07 0.00 -0.71 0.00 0.00 33.22 33.02 2wro n MET 106 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wro n LEU 107 N 0.00 0.00 0.00 4.03 4.77 -1.22 -4.99 117.00 119.59 2wro n LEU 107 Ca 0.00 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 2wro n LEU 107 Cb 0.33 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2wro n LEU 107 CO 0.00 -0.77 0.00 -0.81 -1.33 0.00 0.00 177.39 174.48 2wro n PRO 108 N -2.20 2.86 0.00 3.23 -0.04 -1.26 -5.00 135.00 132.59 2wro n PRO 108 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2wro n PRO 108 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2wro n PRO 108 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wro n LYS 109 N 0.00 -0.17 -0.43 0.54 5.02 -1.26 -4.71 118.16 117.16 2wro n LYS 109 Ca 0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2wro n LYS 109 Cb 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2wro n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wro n GLY 110 N -0.01 1.15 0.14 0.72 0.00 -1.26 -4.79 105.19 101.15 2wro n GLY 110 Ca 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 44.13 2wro n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wro n PRO 111 N -0.58 0.11 -0.09 1.61 -0.02 -1.26 -0.39 135.00 134.37 2wro n PRO 111 Ca 0.00 0.60 -0.20 0.00 -2.02 0.00 0.00 63.50 61.88 2wro n PRO 111 Cb 0.00 -1.92 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 2wro n PRO 111 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wro h LEU 112 N 0.00 0.03 -2.17 2.45 5.85 -1.96 -0.21 115.31 119.30 2wro h LEU 112 Ca 0.00 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 2wro h LEU 112 Cb 0.12 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2wro h LEU 112 CO 0.00 1.40 -0.03 1.23 -0.34 0.00 0.00 178.44 180.69 2wro h GLY 113 N -0.90 0.00 0.16 3.75 0.00 -1.26 3.28 103.07 108.10 2wro h GLY 113 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2wro h GLY 113 CO -0.14 0.00 -0.08 -0.09 0.00 0.00 0.00 176.54 176.23 2wro h ARG 114 N 0.00 -0.21 -0.47 4.80 2.43 -0.82 -1.92 114.38 118.19 2wro h ARG 114 Ca -0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 2wro h ARG 114 Cb 0.08 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.58 2wro h ARG 114 CO 0.00 -0.14 -0.29 -0.09 -1.51 0.00 0.00 179.97 177.94 2wro h ARG 115 N -0.65 -0.18 -0.65 0.20 2.43 -0.34 0.11 114.38 115.30 2wro h ARG 115 Ca -0.02 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 2wro h ARG 115 Cb 0.17 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 2wro h ARG 115 CO 0.04 -0.12 0.22 -0.07 -1.51 0.00 0.00 179.97 178.53 2wro h LEU 116 N -0.19 0.17 0.00 3.80 3.38 0.59 -2.31 115.31 120.76 2wro h LEU 116 Ca 0.20 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2wro h LEU 116 Cb 0.52 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wro h LEU 116 CO -0.57 0.08 -0.02 0.15 0.09 0.00 0.00 178.44 178.18 2wro h PHE 117 N 0.37 -0.05 -0.88 1.13 3.57 0.04 -0.85 116.94 120.28 2wro h PHE 117 Ca 0.34 0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.18 2wro h PHE 117 Cb 0.49 0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.13 2wro h PHE 117 CO -0.19 -0.02 0.53 1.63 -2.23 0.00 0.00 178.31 178.02 2wro n LYS 118 N -2.54 -0.03 -0.30 1.11 5.02 -0.80 0.67 118.16 121.28 2wro n LYS 118 Ca -0.00 0.96 -0.01 0.00 -2.02 0.00 0.00 58.31 57.25 2wro n LYS 118 Cb 0.01 -1.82 -0.01 0.00 -0.02 0.00 0.00 35.03 33.20 2wro n LYS 118 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wro n ARG 119 N -4.40 0.60 -3.34 1.97 5.12 -0.32 -4.38 116.66 111.91 2wro n ARG 119 Ca 0.29 -0.05 -0.12 0.00 -1.93 0.00 0.00 57.85 56.04 2wro n ARG 119 Cb 1.05 -1.27 -0.07 0.00 -1.16 0.00 0.00 32.46 31.01 2wro n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wro s LEU 120 N 0.00 -0.57 -0.25 0.55 1.98 0.21 -3.77 118.68 116.83 2wro s LEU 120 Ca 0.03 -0.59 -0.10 0.00 -2.89 0.00 0.00 54.13 50.59 2wro s LEU 120 Cb 0.02 0.88 -0.05 0.00 0.66 0.00 0.00 46.19 47.70 2wro s LEU 120 CO 0.00 -0.36 0.14 -0.54 -1.89 0.00 0.00 176.35 173.70 2wro s LYS 121 N 2.41 3.96 -0.06 1.98 3.01 -1.19 -5.05 119.74 124.80 2wro s LYS 121 Ca 0.10 -0.33 0.01 0.00 -1.01 0.00 0.00 55.97 54.75 2wro s LYS 121 Cb -0.13 -3.50 0.02 0.00 -1.01 0.00 0.00 37.83 33.21 2wro s LYS 121 CO -0.29 -0.02 -0.07 0.08 0.51 0.00 0.00 175.35 175.55 2wro s VAL 122 N 1.27 0.77 0.30 3.17 1.01 -1.26 -1.91 120.40 123.74 2wro s VAL 122 Ca 0.07 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 61.90 2wro s VAL 122 Cb -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2wro s VAL 122 CO 0.06 0.28 -0.15 -0.31 0.00 0.00 0.00 175.10 174.97 2wro s TYR 123 N 0.88 2.35 -0.94 5.22 1.51 -1.09 -4.99 117.35 120.29 2wro s TYR 123 Ca -0.11 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 2wro s TYR 123 Cb -0.15 -1.12 0.14 0.00 -0.11 0.00 0.00 41.96 40.72 2wro s TYR 123 CO 0.01 0.67 2.43 0.00 -1.11 0.00 0.00 175.55 177.55 2wro n ALA 124 N -0.69 6.58 -1.00 3.71 0.00 -1.26 -1.41 120.51 126.43 2wro n ALA 124 Ca -0.05 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.61 2wro n ALA 124 Cb 0.61 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2wro n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wro n GLY 125 N 1.02 -0.59 3.14 0.00 0.00 -1.26 -4.62 105.19 102.88 2wro n GLY 125 Ca 0.55 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2wro n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wro n PRO 126 N 0.00 -3.75 -1.04 1.61 -0.04 -1.26 -4.37 135.00 126.15 2wro n PRO 126 Ca 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 2wro n PRO 126 Cb 0.00 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2wro n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wro n ASP 127 N -3.89 -1.39 -4.28 3.54 9.92 -1.26 -4.69 116.55 114.50 2wro n ASP 127 Ca 0.10 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.94 2wro n ASP 127 Cb 0.49 -0.69 -0.08 0.00 -0.64 0.00 0.00 41.12 40.19 2wro n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2wro s HIS 128 N 0.00 3.33 -0.77 1.24 -3.43 -1.26 -4.94 115.29 109.46 2wro s HIS 128 Ca 0.00 -1.48 -0.26 0.00 -0.80 0.00 0.00 55.06 52.52 2wro s HIS 128 Cb 0.00 -3.29 -0.10 0.00 -1.43 0.00 0.00 32.58 27.76 2wro s HIS 128 CO 0.00 -0.91 2.26 -1.25 -2.00 0.00 0.00 174.74 172.84 2wro s PRO 129 N 1.47 1.96 0.00 -0.38 0.04 -1.26 -4.40 135.00 132.43 2wro s PRO 129 Ca 0.04 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2wro s PRO 129 Cb -0.25 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.48 2wro s PRO 129 CO 0.02 -3.94 0.00 -2.39 0.04 0.00 0.00 177.00 170.73 2wro n HIS 130 N 16.83 0.00 -2.60 0.56 1.44 -1.26 -5.15 115.22 125.04 2wro n HIS 130 Ca 0.42 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.70 2wro n HIS 130 Cb 0.46 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.55 2wro n HIS 130 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2wro s GLN 131 N 0.00 3.83 0.00 -1.40 2.00 -1.26 -4.73 119.66 118.09 2wro s GLN 131 Ca 0.00 0.75 0.00 0.00 -2.00 0.00 0.00 55.36 54.11 2wro s GLN 131 Cb 0.00 -3.86 0.00 0.00 0.80 0.00 0.00 33.01 29.95 2wro s GLN 131 CO 0.00 -1.24 0.18 0.00 -0.50 0.00 0.00 175.29 173.73 2wro n ALA 132 N 7.58 1.02 0.00 1.58 0.00 -1.26 -5.12 120.51 124.31 2wro n ALA 132 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wro n ALA 132 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2wro n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wro n GLN 133 N -0.07 -0.44 -2.65 0.00 7.27 -1.26 -4.99 117.38 115.24 2wro n GLN 133 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 2wro n GLN 133 Cb 0.12 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.75 2wro n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2wro n ARG 134 N -1.29 0.00 -0.79 3.69 1.85 -1.26 -4.85 116.66 114.02 2wro n ARG 134 Ca 0.00 -0.51 -0.42 0.00 -1.00 0.00 0.00 57.85 55.93 2wro n ARG 134 Cb 0.00 -0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 2wro n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wro n PRO 135 N -0.40 0.44 -1.46 2.89 -0.02 -1.25 -4.27 135.00 130.94 2wro n PRO 135 Ca -0.29 -1.31 -0.57 0.00 -2.02 0.00 0.00 63.50 59.30 2wro n PRO 135 Cb 0.63 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 2wro n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wro n GLU 136 N 7.76 0.00 0.00 -0.52 2.13 -1.25 -4.09 120.64 124.68 2wro n GLU 136 Ca 0.47 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2wro n GLU 136 Cb 0.42 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.76 2wro n GLU 136 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2wro n LYS 137 N 2.25 1.33 -2.66 5.31 5.02 -0.79 -4.86 118.16 123.76 2wro n LYS 137 Ca 0.22 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.47 2wro n LYS 137 Cb 0.02 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.10 2wro n LYS 137 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wro n LEU 138 N 0.00 -1.21 0.00 -0.35 4.77 -1.26 -4.93 117.00 114.03 2wro n LEU 138 Ca 0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 2wro n LEU 138 Cb 0.00 0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2wro n LEU 138 CO 0.00 1.48 0.00 1.21 -1.33 0.00 0.00 177.39 178.75