#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n LYS 25 N 0.00 0.90 0.00 1.45 4.01 -1.26 -5.07 118.16 118.19 1vsa n LYS 25 Ca 0.00 -0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1vsa n LYS 25 Cb 0.00 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1vsa n LYS 25 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1vsa n THR 26 N -1.96 0.00 0.00 -0.18 -1.04 -1.26 -4.76 114.28 105.08 1vsa n THR 26 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1vsa n THR 26 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1vsa n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vsa n TYR 27 N 7.89 0.00 -2.17 -1.42 -0.00 -1.26 -5.10 117.16 115.10 1vsa n TYR 27 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 1vsa n TYR 27 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 1vsa n TYR 27 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1vsa s VAL 28 N -0.59 3.73 -1.41 2.97 1.01 -1.26 -4.70 120.40 120.15 1vsa s VAL 28 Ca 0.00 0.79 0.27 0.00 0.00 0.00 0.00 61.98 63.03 1vsa s VAL 28 Cb 0.00 -3.86 0.23 0.00 0.00 0.00 0.00 36.38 32.75 1vsa s VAL 28 CO 0.00 -0.46 1.62 -0.81 0.00 0.00 0.00 175.10 175.46 1vsa n PRO 29 N 7.94 0.45 -1.61 2.72 -0.04 -1.26 -4.97 135.00 138.23 1vsa n PRO 29 Ca 0.19 -0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1vsa n PRO 29 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1vsa n PRO 29 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vsa n LYS 30 N -1.08 -0.09 0.00 0.54 4.01 -1.26 -4.98 118.16 115.29 1vsa n LYS 30 Ca 0.10 0.54 0.00 0.00 -0.51 0.00 0.00 58.31 58.44 1vsa n LYS 30 Cb 0.33 -1.79 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 1vsa n LYS 30 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1vsa n GLN 31 N -1.08 0.00 0.12 1.97 3.00 -1.26 -5.05 117.38 115.08 1vsa n GLN 31 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1vsa n GLN 31 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 1vsa n GLN 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1vsa n VAL 32 N -0.78 0.00 -2.14 5.09 0.31 -1.26 -5.07 118.33 114.48 1vsa n VAL 32 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vsa n VAL 32 Cb 0.00 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 1vsa n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vsa n GLU 33 N -3.16 -0.54 -0.08 5.55 4.71 -1.26 -4.99 120.64 120.86 1vsa n GLU 33 Ca 0.00 0.90 -0.03 0.00 -0.01 0.00 0.00 57.16 58.02 1vsa n GLU 33 Cb 0.00 -3.24 0.00 0.00 -1.01 0.00 0.00 31.44 27.19 1vsa n GLU 33 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1vsa n PRO 34 N -1.32 0.00 0.00 3.49 -0.02 -1.26 -4.97 135.00 130.91 1vsa n PRO 34 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1vsa n PRO 34 Cb 0.50 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1vsa n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1vsa n ARG 35 N 0.21 3.27 -3.48 -0.52 3.00 0.19 -4.71 116.66 114.62 1vsa n ARG 35 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.72 1vsa n ARG 35 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.48 1vsa n ARG 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1vsa s TRP 36 N 1.21 -0.49 -0.01 -1.55 0.52 -1.25 -1.78 118.94 115.57 1vsa s TRP 36 Ca 0.00 0.51 -0.29 0.00 0.02 0.00 0.00 56.10 56.34 1vsa s TRP 36 Cb 0.00 0.51 0.11 0.00 -1.15 0.00 0.00 33.47 32.94 1vsa s TRP 36 CO 0.00 -0.65 1.29 0.08 0.02 0.00 0.00 176.95 177.69 1vsa s VAL 37 N -2.70 0.00 0.13 4.03 1.01 -0.61 -3.17 120.40 119.09 1vsa s VAL 37 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1vsa s VAL 37 Cb -0.01 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1vsa s VAL 37 CO -0.05 0.00 0.29 -0.22 0.00 0.00 0.00 175.10 175.12 1vsa s LEU 38 N -3.43 0.97 0.00 3.92 1.98 -1.21 -3.19 118.68 117.71 1vsa s LEU 38 Ca 0.22 -0.67 0.00 0.00 -2.89 0.00 0.00 54.13 50.79 1vsa s LEU 38 Cb 0.02 1.32 0.00 0.00 0.66 0.00 0.00 46.19 48.19 1vsa s LEU 38 CO -0.02 -0.84 0.00 0.00 -1.89 0.00 0.00 176.35 173.60 1vsa n ILE 39 N -0.17 0.00 0.00 6.68 0.13 -1.15 -2.78 119.36 122.07 1vsa n ILE 39 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 1vsa n ILE 39 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.43 1vsa n ILE 39 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1vsa n ASP 40 N 0.00 0.00 0.00 9.51 -0.08 -1.26 -2.93 116.55 121.79 1vsa n ASP 40 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1vsa n ASP 40 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1vsa n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vsa n ALA 41 N -1.16 0.00 0.00 -1.67 0.00 -1.26 -4.83 120.51 111.58 1vsa n ALA 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vsa n GLU 42 N -0.19 0.00 -2.55 0.00 0.28 -1.26 -2.22 120.64 114.70 1vsa n GLU 42 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1vsa n GLU 42 Cb 0.00 -1.15 0.03 0.00 1.43 0.00 0.00 31.44 31.75 1vsa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vsa n GLY 43 N -0.55 3.44 2.99 -1.84 0.00 -1.26 -2.89 105.19 105.08 1vsa n GLY 43 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1vsa n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa s LYS 44 N -3.50 1.82 -0.91 1.61 -0.14 -0.94 -4.80 119.74 112.88 1vsa s LYS 44 Ca 0.36 -1.23 -0.25 0.00 -1.36 0.00 0.00 55.97 53.48 1vsa s LYS 44 Cb 0.40 -2.75 -0.13 0.00 -1.68 0.00 0.00 37.83 33.67 1vsa s LYS 44 CO -0.03 -0.64 2.20 0.99 -0.76 0.00 0.00 175.35 177.11 1vsa s THR 45 N 1.23 3.17 0.08 2.17 2.01 -1.26 -2.70 115.64 120.34 1vsa s THR 45 Ca -0.05 -0.19 -0.34 0.00 0.31 0.00 0.00 61.69 61.42 1vsa s THR 45 Cb -0.19 -3.59 -0.18 0.00 0.01 0.00 0.00 72.50 68.55 1vsa s THR 45 CO -0.07 -0.35 0.81 0.18 -0.69 0.00 0.00 174.62 174.50 1vsa n LEU 46 N 17.31 -0.53 0.00 4.42 4.77 -1.18 -2.25 117.00 139.53 1vsa n LEU 46 Ca 0.44 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 1vsa n LEU 46 Cb 0.45 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1vsa n LEU 46 CO 0.58 -2.31 0.00 0.61 -1.33 0.00 0.00 177.39 174.94 1vsa n GLY 47 N 1.67 1.89 0.34 -0.72 0.00 -1.26 -4.47 105.19 102.64 1vsa n GLY 47 Ca 0.19 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.39 1vsa n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa n ARG 48 N 0.00 -0.07 0.04 1.61 5.12 -1.14 0.12 116.66 122.34 1vsa n ARG 48 Ca 0.00 1.46 -0.13 0.00 -1.93 0.00 0.00 57.85 57.25 1vsa n ARG 48 Cb 0.00 -2.40 -0.09 0.00 -1.16 0.00 0.00 32.46 28.81 1vsa n ARG 48 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1vsa h LEU 49 N 0.00 -0.12 0.00 0.55 4.07 -1.67 -3.38 115.31 114.76 1vsa h LEU 49 Ca 0.68 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1vsa h LEU 49 Cb 1.56 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.33 1vsa h LEU 49 CO -0.88 0.34 0.00 0.00 -1.08 0.00 0.00 178.44 176.81 1vsa n ALA 50 N -2.40 0.00 0.00 1.53 0.00 0.33 -2.24 120.51 117.72 1vsa n ALA 50 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1vsa n ALA 50 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1vsa n ALA 50 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vsa n THR 51 N -0.40 0.00 0.11 0.00 5.66 -1.18 0.53 114.28 119.01 1vsa n THR 51 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1vsa n THR 51 Cb 0.00 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.83 1vsa n THR 51 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1vsa n LYS 52 N -0.15 0.06 0.02 1.09 -0.00 -1.09 -2.64 118.16 115.45 1vsa n LYS 52 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1vsa n LYS 52 Cb 0.00 -1.45 -0.00 0.00 -0.00 0.00 0.00 35.03 33.58 1vsa n LYS 52 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1vsa h ILE 53 N 0.00 0.00 -0.89 0.58 2.04 1.36 -3.10 117.51 117.50 1vsa h ILE 53 Ca 0.00 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 65.94 1vsa h ILE 53 Cb 0.00 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.01 1vsa h ILE 53 CO 0.00 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.72 1vsa h ALA 54 N -1.93 1.75 0.00 1.87 0.00 -1.41 0.91 119.26 120.45 1vsa h ALA 54 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vsa h ALA 54 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1vsa h ALA 54 CO 0.01 0.04 0.01 2.41 0.00 0.00 0.00 179.25 181.72 1vsa n THR 55 N -4.55 0.76 -0.12 0.00 -1.04 -1.17 -0.37 114.28 107.80 1vsa n THR 55 Ca 0.16 0.20 -0.19 0.00 -2.04 0.00 0.00 64.05 62.19 1vsa n THR 55 Cb 0.40 -1.20 -0.12 0.00 -1.82 0.00 0.00 70.33 67.58 1vsa n THR 55 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1vsa n LEU 56 N -1.17 2.92 0.04 -4.42 4.32 0.32 -4.30 117.00 114.71 1vsa n LEU 56 Ca 0.00 -0.09 -0.02 0.00 -0.02 0.00 0.00 56.01 55.88 1vsa n LEU 56 Cb 0.01 -0.93 -0.01 0.00 -1.62 0.00 0.00 43.42 40.88 1vsa n LEU 56 CO 0.00 0.92 0.29 0.25 -1.22 0.00 0.00 177.39 177.63 1vsa h LEU 57 N -0.02 -0.09 -0.12 2.23 7.12 -0.58 -3.18 115.31 120.68 1vsa h LEU 57 Ca -0.57 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.49 1vsa h LEU 57 Cb 1.90 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 42.04 1vsa h LEU 57 CO -0.08 -0.04 0.06 -2.11 -0.13 0.00 0.00 178.44 176.15 1vsa n ARG 58 N -2.46 -0.01 0.00 1.25 1.85 -1.04 -3.07 116.66 113.18 1vsa n ARG 58 Ca -0.01 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1vsa n ARG 58 Cb 0.04 -0.29 0.00 0.00 -1.05 0.00 0.00 32.46 31.17 1vsa n ARG 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vsa n GLY 59 N -1.03 -0.06 0.22 2.89 0.00 -1.25 -2.46 105.19 103.50 1vsa n GLY 59 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1vsa n GLY 59 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vsa h LYS 60 N 0.00 -0.54 0.00 1.61 1.63 -1.72 -2.92 116.57 114.63 1vsa h LYS 60 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1vsa h LYS 60 Cb 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1vsa h LYS 60 CO 0.00 -0.36 0.00 -2.39 -3.45 0.00 0.00 179.45 173.25 1vsa n HIS 61 N -3.65 0.00 -2.36 1.91 1.44 -1.26 -4.50 115.22 106.80 1vsa n HIS 61 Ca -0.07 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.26 1vsa n HIS 61 Cb 0.22 -0.42 -0.03 0.00 0.12 0.00 0.00 29.99 29.88 1vsa n HIS 61 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1vsa s ARG 62 N -2.83 3.06 0.06 -1.40 3.00 -1.10 -4.88 118.95 114.85 1vsa s ARG 62 Ca 0.07 -0.26 -0.28 0.00 -1.00 0.00 0.00 55.73 54.26 1vsa s ARG 62 Cb 0.07 -4.63 -0.17 0.00 0.00 0.00 0.00 34.95 30.21 1vsa s ARG 62 CO 0.19 -2.48 1.57 -1.00 0.00 0.00 0.00 175.30 173.58 1vsa h PRO 63 N 11.32 -0.51 0.00 5.12 0.13 -1.83 -1.73 132.00 144.49 1vsa h PRO 63 Ca -0.11 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1vsa h PRO 63 Cb 1.06 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vsa h PRO 63 CO 1.29 -0.29 0.29 -0.25 -0.23 0.00 0.00 178.00 178.81 1vsa n ASP 64 N -5.28 0.00 -3.46 1.44 10.43 -1.26 -4.60 116.55 113.81 1vsa n ASP 64 Ca -0.11 0.20 -0.32 0.00 2.57 0.00 0.00 54.79 57.14 1vsa n ASP 64 Cb 0.25 -0.20 -0.12 0.00 1.84 0.00 0.00 41.12 42.89 1vsa n ASP 64 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 1vsa n TRP 65 N -1.20 0.43 -3.69 1.24 -0.00 -0.65 -4.74 117.44 108.84 1vsa n TRP 65 Ca 0.00 0.29 -0.36 0.00 -0.00 0.00 0.00 57.50 57.44 1vsa n TRP 65 Cb 0.29 -1.83 -0.08 0.00 -0.00 0.00 0.00 31.31 29.68 1vsa n TRP 65 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1vsa s THR 66 N 6.92 3.96 0.00 5.87 2.01 -1.26 -4.99 115.64 128.15 1vsa s THR 66 Ca 1.05 -3.42 0.00 0.00 0.31 0.00 0.00 61.69 59.63 1vsa s THR 66 Cb -0.97 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.02 1vsa s THR 66 CO 0.38 -0.98 0.00 -2.65 -0.69 0.00 0.00 174.62 170.68 1vsa n PRO 67 N 2.91 0.00 -0.22 4.92 -0.02 -1.26 0.87 135.00 142.19 1vsa n PRO 67 Ca 0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.56 1vsa n PRO 67 Cb 0.37 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.89 1vsa n PRO 67 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1vsa h ASN 68 N 0.00 0.82 -4.17 2.55 4.21 -2.00 -3.44 115.58 113.56 1vsa h ASN 68 Ca 0.00 -0.13 -0.50 0.00 1.21 0.00 0.00 56.30 56.88 1vsa h ASN 68 Cb 0.00 -0.21 0.05 0.00 -1.12 0.00 0.00 38.32 37.04 1vsa h ASN 68 CO 0.00 0.72 0.34 0.54 -1.29 0.00 0.00 177.43 177.74 1vsa s VAL 69 N -5.71 4.73 -0.67 2.81 0.11 0.25 -5.02 120.40 116.90 1vsa s VAL 69 Ca -0.13 0.77 -0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1vsa s VAL 69 Cb 0.13 -3.85 0.17 0.00 -1.53 0.00 0.00 36.38 31.30 1vsa s VAL 69 CO 0.79 -1.02 0.48 0.00 -3.33 0.00 0.00 175.10 172.02 1vsa s ALA 70 N -3.01 3.70 0.00 1.54 0.00 -1.26 -4.77 121.76 117.96 1vsa s ALA 70 Ca 0.54 -3.47 0.00 0.00 0.00 0.00 0.00 51.96 49.03 1vsa s ALA 70 Cb -0.11 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1vsa s ALA 70 CO 0.49 -2.10 0.00 0.00 0.00 0.00 0.00 175.76 174.15 1vsa n MET 71 N 2.96 3.11 0.00 0.00 0.00 -1.20 -4.86 117.12 117.13 1vsa n MET 71 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1vsa n MET 71 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.58 1vsa n MET 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vsa n GLY 72 N 5.00 0.21 0.00 3.17 0.00 -1.03 -4.37 105.19 108.16 1vsa n GLY 72 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1vsa n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vsa n ASP 73 N 0.00 0.00 0.00 1.61 10.43 -1.17 -0.64 116.55 126.78 1vsa n ASP 73 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1vsa n ASP 73 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1vsa n ASP 73 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1vsa n PHE 74 N 0.00 0.00 -4.33 1.24 -0.00 -0.73 -3.40 117.46 110.24 1vsa n PHE 74 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.28 1vsa n PHE 74 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.38 1vsa n PHE 74 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1vsa s VAL 75 N 0.00 1.00 0.34 -2.13 1.01 -1.26 -1.57 120.40 117.79 1vsa s VAL 75 Ca 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 61.98 60.02 1vsa s VAL 75 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1vsa s VAL 75 CO 0.00 -0.30 0.27 -0.69 0.00 0.00 0.00 175.10 174.38 1vsa s VAL 76 N -3.44 0.04 -0.33 2.92 1.01 -1.19 -2.91 120.40 116.50 1vsa s VAL 76 Ca 0.29 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.32 1vsa s VAL 76 Cb 0.06 -2.48 0.18 0.00 0.00 0.00 0.00 36.38 34.14 1vsa s VAL 76 CO 0.09 0.00 0.52 -0.69 0.00 0.00 0.00 175.10 175.02 1vsa s VAL 77 N -3.41 -0.81 0.00 2.92 1.01 -0.69 -2.93 120.40 116.49 1vsa s VAL 77 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1vsa s VAL 77 Cb 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1vsa s VAL 77 CO 0.27 -0.16 0.00 1.33 0.00 0.00 0.00 175.10 176.54 1vsa n VAL 78 N 5.00 0.00 -0.64 2.92 0.24 -1.15 -0.39 118.33 124.31 1vsa n VAL 78 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1vsa n VAL 78 Cb 0.52 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 1vsa n VAL 78 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1vsa n ASN 79 N 0.00 0.00 0.13 -1.34 5.03 -1.24 -3.87 115.26 113.97 1vsa n ASN 79 Ca 0.00 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.46 1vsa n ASN 79 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.80 1vsa n ASN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vsa h ALA 80 N 0.64 0.65 -1.23 5.41 0.00 -0.01 -3.40 119.26 121.31 1vsa h ALA 80 Ca 0.00 -0.54 -0.70 0.00 0.00 0.00 0.00 54.91 53.67 1vsa h ALA 80 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vsa h ALA 80 CO 0.00 0.74 1.21 -0.40 0.00 0.00 0.00 179.25 180.80 1vsa n ASP 81 N -3.30 2.21 0.00 0.00 3.85 0.65 0.41 116.55 120.38 1vsa n ASP 81 Ca 0.01 0.71 0.00 0.00 -0.71 0.00 0.00 54.79 54.80 1vsa n ASP 81 Cb 0.75 -1.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.32 1vsa n ASP 81 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1vsa n LYS 82 N 7.04 0.00 -0.30 0.11 4.81 -1.26 -4.97 118.16 123.59 1vsa n LYS 82 Ca 0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.69 1vsa n LYS 82 Cb 0.18 -2.50 0.01 0.00 0.02 0.00 0.00 35.03 32.74 1vsa n LYS 82 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1vsa n ILE 83 N -2.00 0.00 0.00 3.15 2.08 0.17 -3.12 119.36 119.64 1vsa n ILE 83 Ca 0.00 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1vsa n ILE 83 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1vsa n ILE 83 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1vsa n ARG 84 N 0.76 0.00 0.00 0.38 0.00 -1.10 -4.42 116.66 112.28 1vsa n ARG 84 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1vsa n ARG 84 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.65 1vsa n ARG 84 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1vsa n VAL 85 N 0.00 0.00 0.00 5.15 0.24 -1.18 -3.13 118.33 119.40 1vsa n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vsa n VAL 85 Cb 0.00 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1vsa n VAL 85 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1vsa n THR 86 N 0.38 0.00 0.00 3.34 -1.04 -1.26 -4.72 114.28 110.98 1vsa n THR 86 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1vsa n THR 86 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1vsa n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vsa n GLY 87 N 0.00 4.52 1.81 3.41 0.00 -1.26 -5.00 105.19 108.66 1vsa n GLY 87 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1vsa n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vsa n LYS 88 N 0.00 1.81 0.20 1.61 3.00 -1.26 -4.19 118.16 119.33 1vsa n LYS 88 Ca 0.00 -1.77 0.04 0.00 -0.00 0.00 0.00 58.31 56.58 1vsa n LYS 88 Cb 0.00 -1.69 0.42 0.00 0.00 0.00 0.00 35.03 33.76 1vsa n LYS 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1vsa h LYS 89 N 0.98 0.00 -6.18 1.64 1.79 -1.86 -3.34 116.57 109.60 1vsa h LYS 89 Ca 0.36 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 58.11 1vsa h LYS 89 Cb 1.58 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.26 1vsa h LYS 89 CO 0.74 0.31 0.83 -0.11 -1.08 0.00 0.00 179.45 180.14 1vsa n LEU 90 N -4.04 2.32 0.00 2.94 7.94 -1.26 0.11 117.00 125.01 1vsa n LEU 90 Ca -0.02 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1vsa n LEU 90 Cb 0.37 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1vsa n LEU 90 CO 0.37 -0.52 0.00 -0.62 -1.11 0.00 0.00 177.39 175.51 1vsa n GLU 91 N 4.89 0.00 -2.20 1.96 1.02 -1.26 -4.74 120.64 120.29 1vsa n GLU 91 Ca 0.25 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.02 1vsa n GLU 91 Cb 0.15 -2.78 0.02 0.00 -0.02 0.00 0.00 31.44 28.82 1vsa n GLU 91 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1vsa n GLN 92 N -1.61 3.34 0.00 3.49 1.13 0.29 -4.77 117.38 119.25 1vsa n GLN 92 Ca 0.00 -3.98 0.00 0.00 -1.94 0.00 0.00 57.00 51.08 1vsa n GLN 92 Cb 0.00 -2.29 0.00 0.00 0.11 0.00 0.00 30.24 28.06 1vsa n GLN 92 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1vsa n LYS 93 N -0.44 0.00 -3.89 -1.09 3.00 -0.98 -4.57 118.16 110.19 1vsa n LYS 93 Ca 0.48 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.46 1vsa n LYS 93 Cb 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.23 1vsa n LYS 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1vsa s ILE 94 N 0.00 2.86 -0.88 3.15 1.09 -1.26 -2.99 121.20 123.16 1vsa s ILE 94 Ca 0.00 -2.52 -0.25 0.00 -1.10 0.00 0.00 60.65 56.78 1vsa s ILE 94 Cb 0.00 -2.99 -0.12 0.00 -1.06 0.00 0.00 42.46 38.29 1vsa s ILE 94 CO 0.00 -0.70 2.20 -0.31 -0.10 0.00 0.00 174.94 176.02 1vsa s TYR 95 N 0.63 1.41 -0.11 3.97 1.51 -1.06 -4.89 117.35 118.81 1vsa s TYR 95 Ca 0.12 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.68 1vsa s TYR 95 Cb -0.22 -3.66 0.02 0.00 -0.11 0.00 0.00 41.96 38.00 1vsa s TYR 95 CO -0.05 -1.50 -0.10 0.95 -1.11 0.00 0.00 175.55 173.74 1vsa s THR 96 N 13.30 1.18 0.00 -0.71 -4.23 -1.26 -4.69 115.64 119.22 1vsa s THR 96 Ca 0.83 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1vsa s THR 96 Cb -0.09 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1vsa s THR 96 CO 0.06 0.39 0.00 0.54 -0.54 0.00 0.00 174.62 175.07 1vsa n ARG 97 N 4.60 0.00 -2.61 3.99 1.74 -1.26 -5.05 116.66 118.07 1vsa n ARG 97 Ca -0.16 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.51 1vsa n ARG 97 Cb 0.50 -0.15 -0.03 0.00 -1.02 0.00 0.00 32.46 31.77 1vsa n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1vsa s TYR 98 N 0.00 2.48 0.33 -1.55 1.51 -1.26 -5.00 117.35 113.85 1vsa s TYR 98 Ca 0.00 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.26 1vsa s TYR 98 Cb 0.00 -4.60 -0.09 0.00 -0.11 0.00 0.00 41.96 37.15 1vsa s TYR 98 CO 0.00 -1.94 1.14 0.45 -1.11 0.00 0.00 175.55 174.09 1vsa s SER 99 N 4.24 6.98 1.18 2.29 0.15 -1.26 -2.96 113.70 124.31 1vsa s SER 99 Ca 0.38 2.33 -0.20 0.00 0.70 0.00 0.00 55.95 59.16 1vsa s SER 99 Cb -0.05 -2.62 0.29 0.00 -1.71 0.00 0.00 66.02 61.92 1vsa s SER 99 CO 0.03 -0.35 1.18 -0.83 1.20 0.00 0.00 173.24 174.46 1vsa s GLY 100 N -0.95 1.65 0.07 9.45 0.00 -1.24 -4.76 107.32 111.54 1vsa s GLY 100 Ca 0.49 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1vsa s GLY 100 CO 0.41 -0.23 0.00 -1.72 0.00 0.00 0.00 173.10 171.56 1vsa n TYR 101 N -4.61 -0.40 0.88 1.90 4.02 -1.22 -4.81 117.16 112.91 1vsa n TYR 101 Ca 0.15 0.07 0.11 0.00 -0.01 0.00 0.00 57.90 58.22 1vsa n TYR 101 Cb 0.60 0.20 0.03 0.00 -0.02 0.00 0.00 39.34 40.14 1vsa n TYR 101 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1vsa n PRO 102 N -3.10 0.08 0.00 -0.72 -0.04 -1.26 -4.88 135.00 125.09 1vsa n PRO 102 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1vsa n PRO 102 Cb 0.19 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1vsa n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsa n GLY 103 N 1.46 0.40 3.64 0.55 0.00 -1.26 -5.16 105.19 104.82 1vsa n GLY 103 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1vsa n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vsa s GLY 104 N -0.53 -0.45 0.00 -0.02 0.00 -1.26 -5.03 107.32 100.03 1vsa s GLY 104 Ca 0.00 2.61 0.00 0.00 0.00 0.00 0.00 44.72 47.33 1vsa s GLY 104 CO 0.00 2.41 0.00 1.47 0.00 0.00 0.00 173.10 176.98 1vsa n LEU 105 N 4.02 0.00 0.00 0.66 -0.00 -1.26 -3.45 117.00 116.97 1vsa n LEU 105 Ca -0.19 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.65 1vsa n LEU 105 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.96 1vsa n LEU 105 CO -0.01 0.00 -0.11 1.17 -0.00 0.00 0.00 177.39 178.44 1vsa n LYS 106 N 0.00 0.97 0.00 1.47 3.00 -1.16 -4.94 118.16 117.51 1vsa n LYS 106 Ca 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 58.31 56.24 1vsa n LYS 106 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 35.03 35.90 1vsa n LYS 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1vsa n LYS 107 N -0.62 0.00 -2.00 1.64 2.85 -1.26 -4.88 118.16 113.89 1vsa n LYS 107 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1vsa n LYS 107 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 1vsa n LYS 107 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1vsa n ILE 108 N 0.00 -9.56 -1.47 0.58 -5.35 -1.26 -3.82 119.36 98.47 1vsa n ILE 108 Ca 0.00 2.93 0.00 0.00 -0.27 0.00 0.00 62.75 65.41 1vsa n ILE 108 Cb 0.00 -4.34 0.00 0.00 -1.74 0.00 0.00 39.64 33.56 1vsa n ILE 108 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1vsa n PRO 109 N 1.34 2.72 0.24 6.28 -0.04 -1.26 -2.56 135.00 141.71 1vsa n PRO 109 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1vsa n PRO 109 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1vsa n PRO 109 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vsa h LEU 110 N 0.00 -0.56 -0.53 1.53 -0.00 -1.77 -2.86 115.31 111.12 1vsa h LEU 110 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1vsa h LEU 110 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1vsa h LEU 110 CO 0.00 -0.21 0.00 1.21 -0.00 0.00 0.00 178.44 179.44 1vsa n GLU 111 N -4.81 0.00 0.00 1.13 2.13 -1.26 -2.10 120.64 115.73 1vsa n GLU 111 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1vsa n GLU 111 Cb 0.26 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.05 1vsa n GLU 111 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1vsa n LYS 112 N 0.02 0.00 -0.16 5.31 0.00 -1.14 -4.77 118.16 117.43 1vsa n LYS 112 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.27 1vsa n LYS 112 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 35.03 35.04 1vsa n LYS 112 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1vsa h MET 113 N 0.00 -0.12 -0.90 1.64 4.05 -1.26 1.45 114.93 119.79 1vsa h MET 113 Ca 0.00 0.01 0.26 0.00 -0.28 0.00 0.00 59.70 59.69 1vsa h MET 113 Cb 0.00 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 1vsa h MET 113 CO 0.00 -0.08 0.83 1.47 0.23 0.00 0.00 176.91 179.36 1vsa n LEU 114 N -5.42 0.00 -0.02 3.39 -0.00 -0.89 0.39 117.00 114.45 1vsa n LEU 114 Ca 0.04 0.54 -0.01 0.00 -0.00 0.00 0.00 56.01 56.58 1vsa n LEU 114 Cb 0.33 -0.22 -0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1vsa n LEU 114 CO 0.06 -0.54 -0.09 0.00 -0.00 0.00 0.00 177.39 176.82 1vsa h ALA 115 N 0.45 0.00 -1.07 1.47 0.00 0.18 -3.39 119.26 116.90 1vsa h ALA 115 Ca 0.43 -0.30 -0.64 0.00 0.00 0.00 0.00 54.91 54.39 1vsa h ALA 115 Cb 2.08 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.99 1vsa h ALA 115 CO -0.00 0.14 1.46 -2.37 0.00 0.00 0.00 179.25 178.47 1vsa n THR 116 N -2.92 0.15 -2.82 0.00 5.66 0.16 -3.26 114.28 111.25 1vsa n THR 116 Ca -0.02 -0.29 -0.04 0.00 -3.05 0.00 0.00 64.05 60.65 1vsa n THR 116 Cb 0.07 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.18 1vsa n THR 116 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1vsa n HIS 117 N 10.47 -0.26 -0.22 1.09 8.25 -1.26 -3.82 115.22 129.47 1vsa n HIS 117 Ca 0.42 0.11 0.03 0.00 -0.26 0.00 0.00 57.72 58.02 1vsa n HIS 117 Cb 0.25 -0.92 0.14 0.00 1.12 0.00 0.00 29.99 30.58 1vsa n HIS 117 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1vsa h PRO 118 N 3.04 0.27 0.02 -0.41 0.13 -1.74 0.96 132.00 134.26 1vsa h PRO 118 Ca -0.06 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1vsa h PRO 118 Cb 0.89 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 1vsa h PRO 118 CO 0.02 0.18 -0.49 1.05 -0.23 0.00 0.00 178.00 178.53 1vsa h GLU 119 N 0.28 -0.62 -0.73 0.86 4.11 -1.85 -1.02 114.58 115.61 1vsa h GLU 119 Ca 0.36 0.04 0.07 0.00 0.07 0.00 0.00 59.36 59.90 1vsa h GLU 119 Cb 0.56 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 1vsa h GLU 119 CO -0.45 -0.42 -0.48 -0.09 0.07 0.00 0.00 179.01 177.65 1vsa h ARG 120 N -0.65 -0.06 0.00 1.06 2.43 0.25 -2.51 114.38 114.89 1vsa h ARG 120 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1vsa h ARG 120 Cb 0.70 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1vsa h ARG 120 CO -0.33 -0.04 0.00 0.28 -1.51 0.00 0.00 179.97 178.37 1vsa n VAL 121 N -4.86 0.00 -0.03 0.20 0.31 0.26 -0.63 118.33 113.58 1vsa n VAL 121 Ca 0.01 0.32 0.01 0.00 -0.01 0.00 0.00 64.34 64.67 1vsa n VAL 121 Cb 0.23 -0.68 0.01 0.00 -0.91 0.00 0.00 33.84 32.49 1vsa n VAL 121 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vsa n LEU 122 N 0.00 -0.02 -0.39 7.52 4.32 -0.87 0.25 117.00 127.80 1vsa n LEU 122 Ca 0.00 0.13 -0.07 0.00 -0.02 0.00 0.00 56.01 56.05 1vsa n LEU 122 Cb 0.00 -0.04 -0.04 0.00 -1.62 0.00 0.00 43.42 41.72 1vsa n LEU 122 CO 0.00 -0.13 0.53 -0.33 -1.22 0.00 0.00 177.39 176.24 1vsa h GLU 123 N 0.00 -0.02 0.00 3.23 5.08 -0.42 -3.01 114.58 119.44 1vsa h GLU 123 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1vsa h GLU 123 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1vsa h GLU 123 CO -0.08 -0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.64 1vsa n HIS 124 N -5.35 0.00 0.00 4.33 8.25 0.69 -0.55 115.22 122.59 1vsa n HIS 124 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1vsa n HIS 124 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1vsa n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vsa n ALA 125 N -1.50 0.00 -0.02 -1.41 0.00 -1.15 0.67 120.51 117.11 1vsa n ALA 125 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1vsa n ALA 125 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1vsa n ALA 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vsa h VAL 126 N 0.00 1.30 -1.08 0.00 2.07 -1.43 -3.25 116.25 113.86 1vsa h VAL 126 Ca 0.00 -1.59 0.31 0.00 0.82 0.00 0.00 66.70 66.24 1vsa h VAL 126 Cb 0.00 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1vsa h VAL 126 CO 0.00 0.37 0.79 0.29 0.02 0.00 0.00 177.57 179.05 1vsa n LYS 127 N -4.78 0.00 0.08 1.57 5.02 3.13 -0.67 118.16 122.52 1vsa n LYS 127 Ca -0.08 0.60 -0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1vsa n LYS 127 Cb 0.33 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1vsa n LYS 127 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1vsa h GLY 128 N 0.00 -0.51 0.00 0.72 0.00 -1.48 -3.38 103.07 98.42 1vsa h GLY 128 Ca 0.51 0.35 0.00 0.00 0.00 0.00 0.00 47.33 48.20 1vsa h GLY 128 CO -0.01 -0.23 -0.02 1.15 0.00 0.00 0.00 176.54 177.43 1vsa n MET 129 N -5.40 0.02 -0.38 4.80 0.00 0.16 -5.08 117.12 111.23 1vsa n MET 129 Ca -0.06 0.25 0.02 0.00 0.00 0.00 0.00 57.70 57.92 1vsa n MET 129 Cb 0.31 -0.78 -0.01 0.00 0.00 0.00 0.00 33.22 32.75 1vsa n MET 129 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1vsa n LEU 130 N -2.36 -0.09 0.00 3.17 4.77 -1.16 -4.95 117.00 116.38 1vsa n LEU 130 Ca -0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1vsa n LEU 130 Cb 0.01 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1vsa n LEU 130 CO 0.00 -0.40 0.00 -0.81 -1.33 0.00 0.00 177.39 174.85 1vsa n PRO 131 N -1.59 3.33 0.00 3.23 -0.04 -1.26 -5.10 135.00 133.57 1vsa n PRO 131 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vsa n PRO 131 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1vsa n PRO 131 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1vsa n LYS 132 N 0.00 0.00 0.00 0.54 0.00 -1.26 -4.96 118.16 112.47 1vsa n LYS 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsa n LYS 132 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1vsa n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vsa n GLY 133 N -0.77 1.86 0.60 2.58 0.00 -1.26 -3.73 105.19 104.46 1vsa n GLY 133 Ca 0.00 -2.03 0.40 0.00 0.00 0.00 0.00 46.02 44.39 1vsa n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vsa h PRO 134 N 0.00 0.00 0.00 1.61 0.11 -2.03 -0.93 132.00 130.76 1vsa h PRO 134 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vsa h PRO 134 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vsa h PRO 134 CO 0.00 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.67 1vsa h LEU 135 N 0.00 0.00 -0.86 2.35 4.07 -1.96 -3.11 115.31 115.80 1vsa h LEU 135 Ca 0.68 -0.14 0.21 0.00 0.08 0.00 0.00 57.88 58.71 1vsa h LEU 135 Cb 2.98 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 44.57 1vsa h LEU 135 CO -0.01 0.60 0.02 1.23 -1.08 0.00 0.00 178.44 179.20 1vsa h GLY 136 N -1.00 1.03 -0.01 0.83 0.00 -1.35 -1.46 103.07 101.11 1vsa h GLY 136 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1vsa h GLY 136 CO -0.00 -0.38 -0.21 3.21 0.00 0.00 0.00 176.54 179.16 1vsa h ARG 137 N 0.08 -0.25 0.21 4.80 3.08 -1.35 -3.04 114.38 117.91 1vsa h ARG 137 Ca 0.49 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.57 1vsa h ARG 137 Cb 0.93 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1vsa h ARG 137 CO -0.77 -0.17 -0.46 -0.09 -1.07 0.00 0.00 179.97 177.41 1vsa h ARG 138 N -0.26 -0.73 0.00 0.04 2.43 -1.21 -0.09 114.38 114.55 1vsa h ARG 138 Ca 0.01 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1vsa h ARG 138 Cb 0.28 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1vsa h ARG 138 CO -0.15 -0.48 0.14 1.28 -1.51 0.00 0.00 179.97 179.25 1vsa n LEU 139 N -5.49 0.00 -0.02 3.80 4.77 -0.87 -0.46 117.00 118.73 1vsa n LEU 139 Ca -0.09 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 1vsa n LEU 139 Cb 0.40 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1vsa n LEU 139 CO 0.21 -0.25 -0.89 0.33 -1.33 0.00 0.00 177.39 175.46 1vsa n PHE 140 N -1.20 1.01 -0.14 -1.77 7.35 -0.06 -4.48 117.46 118.18 1vsa n PHE 140 Ca 0.00 0.22 0.03 0.00 -0.76 0.00 0.00 57.45 56.94 1vsa n PHE 140 Cb 0.14 -1.14 0.06 0.00 0.35 0.00 0.00 39.48 38.89 1vsa n PHE 140 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1vsa n LYS 141 N -3.40 -0.03 -2.90 -4.13 4.76 0.39 -2.57 118.16 110.27 1vsa n LYS 141 Ca -0.33 0.59 -0.44 0.00 -2.87 0.00 0.00 58.31 55.26 1vsa n LYS 141 Cb 1.04 -0.89 -0.02 0.00 -1.84 0.00 0.00 35.03 33.32 1vsa n LYS 141 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1vsa s ARG 142 N -5.45 3.67 -0.03 1.97 1.70 -1.26 -4.77 118.95 114.78 1vsa s ARG 142 Ca -0.06 -1.83 0.22 0.00 -0.47 0.00 0.00 55.73 53.60 1vsa s ARG 142 Cb 0.10 -4.97 0.40 0.00 -0.57 0.00 0.00 34.95 29.91 1vsa s ARG 142 CO 0.30 -1.80 1.16 1.47 -1.08 0.00 0.00 175.30 175.35 1vsa n LEU 143 N 6.59 1.16 -4.58 -1.89 -0.00 -1.06 -4.36 117.00 112.87 1vsa n LEU 143 Ca 0.26 -2.18 -0.45 0.00 -0.00 0.00 0.00 56.01 53.64 1vsa n LEU 143 Cb 0.48 -0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.81 1vsa n LEU 143 CO 0.53 0.60 0.56 0.29 -0.00 0.00 0.00 177.39 179.37 1vsa n LYS 144 N 0.25 1.24 -1.59 1.47 4.01 -1.15 -4.87 118.16 117.52 1vsa n LYS 144 Ca 0.07 0.44 -0.02 0.00 -0.51 0.00 0.00 58.31 58.29 1vsa n LYS 144 Cb 1.06 -1.81 0.01 0.00 -0.51 0.00 0.00 35.03 33.78 1vsa n LYS 144 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1vsa n VAL 145 N 0.44 0.00 0.00 -0.18 0.24 -1.26 -1.71 118.33 115.86 1vsa n VAL 145 Ca 0.11 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1vsa n VAL 145 Cb 0.30 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1vsa n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n TYR 146 N -0.11 0.00 0.00 6.34 -0.00 0.48 -4.80 117.16 119.06 1vsa n TYR 146 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 1vsa n TYR 146 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.46 1vsa n TYR 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1vsa n ALA 147 N -1.00 0.00 -1.00 -3.48 0.00 -1.25 0.24 120.51 114.02 1vsa n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 148 N 0.00 -1.72 0.41 0.00 0.00 -1.26 -3.62 105.19 99.00 1vsa n GLY 148 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1vsa n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vsa n PRO 149 N 0.00 -1.41 -0.67 1.61 -0.04 -1.26 -4.24 135.00 128.99 1vsa n PRO 149 Ca 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1vsa n PRO 149 Cb 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1vsa n PRO 149 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vsa n ASP 150 N -3.24 -0.92 -4.35 3.54 10.43 -1.26 -4.88 116.55 115.87 1vsa n ASP 150 Ca 0.02 0.00 -0.46 0.00 2.57 0.00 0.00 54.79 56.92 1vsa n ASP 150 Cb 0.07 -0.46 -0.03 0.00 1.84 0.00 0.00 41.12 42.53 1vsa n ASP 150 CO 0.00 0.00 0.00 -1.38 -1.07 0.00 0.00 177.20 174.75 1vsa s HIS 151 N 0.00 3.36 1.13 1.24 -3.43 -1.26 -5.05 115.29 111.28 1vsa s HIS 151 Ca 0.00 -1.48 -0.18 0.00 -0.80 0.00 0.00 55.06 52.60 1vsa s HIS 151 Cb 0.00 -3.92 0.16 0.00 -1.43 0.00 0.00 32.58 27.40 1vsa s HIS 151 CO 0.00 -1.13 0.22 -0.35 -2.00 0.00 0.00 174.74 171.48 1vsa n PRO 152 N 5.19 -2.21 -2.16 -0.38 -0.04 -1.26 -3.05 135.00 131.10 1vsa n PRO 152 Ca 0.02 -0.64 -0.05 0.00 -0.04 0.00 0.00 63.50 62.79 1vsa n PRO 152 Cb 0.44 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.23 1vsa n PRO 152 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1vsa n HIS 153 N -4.60 -1.53 -1.97 0.54 1.44 -1.26 -4.91 115.22 102.93 1vsa n HIS 153 Ca 0.03 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.46 1vsa n HIS 153 Cb 0.54 -1.66 0.08 0.00 0.12 0.00 0.00 29.99 29.06 1vsa n HIS 153 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1vsa s GLN 154 N -4.39 2.22 -0.36 -1.40 0.00 -1.17 -5.01 119.66 109.55 1vsa s GLN 154 Ca 0.00 0.12 0.05 0.00 -0.00 0.00 0.00 55.36 55.53 1vsa s GLN 154 Cb 0.00 -2.01 0.24 0.00 0.00 0.00 0.00 33.01 31.23 1vsa s GLN 154 CO 0.00 -1.39 1.21 0.00 0.00 0.00 0.00 175.29 175.11 1vsa n ALA 155 N -3.16 -1.16 0.00 2.60 0.00 -1.26 -5.14 120.51 112.39 1vsa n ALA 155 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1vsa n ALA 155 Cb 0.60 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1vsa n ALA 155 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1vsa n GLN 156 N -0.28 0.00 0.00 0.00 7.27 -1.26 -5.06 117.38 118.04 1vsa n GLN 156 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 1vsa n GLN 156 Cb 0.73 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.38 1vsa n GLN 156 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1vsa n ARG 157 N -1.48 0.00 -1.25 3.69 -4.01 -1.26 -4.63 116.66 107.72 1vsa n ARG 157 Ca 0.00 0.00 -0.27 0.00 -1.04 0.00 0.00 57.85 56.54 1vsa n ARG 157 Cb 0.00 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.31 1vsa n ARG 157 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 1vsa n PRO 158 N 0.00 0.26 -1.64 2.89 -0.04 -1.19 -3.36 135.00 131.92 1vsa n PRO 158 Ca 0.00 -1.55 -0.49 0.00 -0.04 0.00 0.00 63.50 61.42 1vsa n PRO 158 Cb 0.00 -3.41 -0.05 0.00 -0.04 0.00 0.00 33.50 30.00 1vsa n PRO 158 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1vsa n GLU 159 N 8.05 1.70 -4.58 0.54 2.13 -1.26 -4.33 120.64 122.89 1vsa n GLU 159 Ca 0.44 0.61 -0.33 0.00 0.66 0.00 0.00 57.16 58.54 1vsa n GLU 159 Cb 0.45 -2.33 -0.14 0.00 0.27 0.00 0.00 31.44 29.69 1vsa n GLU 159 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1vsa s LYS 160 N 0.87 3.41 0.00 5.31 -0.14 -1.12 -4.82 119.74 123.25 1vsa s LYS 160 Ca 0.82 -0.66 0.28 0.00 -1.36 0.00 0.00 55.97 55.05 1vsa s LYS 160 Cb -0.81 -2.72 1.68 0.00 -1.68 0.00 0.00 37.83 34.30 1vsa s LYS 160 CO 0.43 0.15 2.02 1.28 -0.76 0.00 0.00 175.35 178.47