#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n PHE 2 N 0.00 -3.81 -3.61 1.12 3.01 -1.26 -4.47 117.46 108.44 1vsa n PHE 2 Ca 0.00 -0.32 -0.03 0.00 1.01 0.00 0.00 57.45 58.11 1vsa n PHE 2 Cb 0.00 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.22 1vsa n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vsa s ALA 3 N -3.70 -2.14 -0.14 4.37 0.00 -1.03 -4.52 121.76 114.59 1vsa s ALA 3 Ca 0.18 1.64 -0.20 0.00 0.00 0.00 0.00 51.96 53.58 1vsa s ALA 3 Cb -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1vsa s ALA 3 CO 0.12 -0.62 0.51 0.42 0.00 0.00 0.00 175.76 176.19 1vsa s ILE 4 N -2.27 0.01 0.00 0.00 1.01 -1.26 -2.53 121.20 116.17 1vsa s ILE 4 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1vsa s ILE 4 Cb -0.00 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1vsa s ILE 4 CO -0.04 -0.05 0.00 0.55 0.00 0.00 0.00 174.94 175.40 1vsa n VAL 5 N 2.21 0.00 -3.68 2.92 3.14 -0.62 -2.92 118.33 119.39 1vsa n VAL 5 Ca -0.16 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1vsa n VAL 5 Cb 0.56 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.35 1vsa n VAL 5 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1vsa n LYS 6 N 0.00 0.15 -2.75 1.45 2.85 -1.26 -2.83 118.16 115.77 1vsa n LYS 6 Ca 0.00 -0.38 -0.05 0.00 -1.05 0.00 0.00 58.31 56.83 1vsa n LYS 6 Cb 0.00 0.53 0.03 0.00 -0.65 0.00 0.00 35.03 34.94 1vsa n LYS 6 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1vsa n THR 7 N -0.24 0.00 -2.59 0.58 5.66 -0.57 -4.82 114.28 112.30 1vsa n THR 7 Ca 0.00 -1.16 -0.04 0.00 -3.05 0.00 0.00 64.05 59.80 1vsa n THR 7 Cb 0.18 1.18 -0.03 0.00 -1.55 0.00 0.00 70.33 70.10 1vsa n THR 7 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vsa n GLY 8 N 2.43 -4.99 4.21 1.09 0.00 -1.26 -4.15 105.19 102.52 1vsa n GLY 8 Ca 0.14 1.41 -0.31 0.00 0.00 0.00 0.00 46.02 47.26 1vsa n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 9 N 1.38 -0.23 2.91 -0.02 0.00 -1.26 -4.91 105.19 103.06 1vsa n GLY 9 Ca -0.30 0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1vsa n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa s LYS 10 N -7.03 0.37 -0.12 1.61 1.02 -1.26 -5.15 119.74 109.17 1vsa s LYS 10 Ca 0.20 -0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.78 1vsa s LYS 10 Cb -0.11 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.24 1vsa s LYS 10 CO 0.96 -0.54 1.03 1.14 -0.92 0.00 0.00 175.35 177.02 1vsa s GLN 11 N 1.95 4.39 0.31 1.68 -2.07 -1.26 -1.51 119.66 123.15 1vsa s GLN 11 Ca 0.15 1.41 0.07 0.00 -1.82 0.00 0.00 55.36 55.17 1vsa s GLN 11 Cb 0.01 -3.56 -0.06 0.00 -1.09 0.00 0.00 33.01 28.31 1vsa s GLN 11 CO -0.13 -0.37 -0.06 0.71 -1.32 0.00 0.00 175.29 174.12 1vsa s TYR 12 N 2.21 2.10 0.27 9.60 2.02 -1.13 -4.94 117.35 127.48 1vsa s TYR 12 Ca 0.48 -0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1vsa s TYR 12 Cb -0.18 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1vsa s TYR 12 CO 0.16 0.35 0.31 -0.98 -1.57 0.00 0.00 175.55 173.82 1vsa s ARG 13 N -3.70 1.56 0.00 -0.62 3.03 -1.26 -1.59 118.95 116.37 1vsa s ARG 13 Ca 0.31 -1.68 0.00 0.00 2.03 0.00 0.00 55.73 56.39 1vsa s ARG 13 Cb 0.04 0.36 0.00 0.00 -1.03 0.00 0.00 34.95 34.32 1vsa s ARG 13 CO 0.14 -0.59 0.00 1.33 -1.13 0.00 0.00 175.30 175.05 1vsa n VAL 14 N -0.44 0.00 0.00 4.99 0.24 -1.05 -4.98 118.33 117.09 1vsa n VAL 14 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1vsa n VAL 14 Cb 0.63 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1vsa n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1vsa n GLU 15 N 0.00 0.00 0.00 7.34 1.02 -1.26 -4.06 120.64 123.67 1vsa n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vsa n GLU 15 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1vsa n GLU 15 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1vsa n PRO 16 N -0.74 0.00 -3.19 3.49 -0.04 -1.26 -4.72 135.00 128.54 1vsa n PRO 16 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1vsa n PRO 16 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1vsa n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsa n GLY 17 N 3.72 2.90 3.84 0.55 0.00 -1.26 -2.96 105.19 111.98 1vsa n GLY 17 Ca 0.00 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 1vsa n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vsa s LEU 18 N -1.23 3.32 0.00 0.99 2.01 -1.26 -4.58 118.68 117.93 1vsa s LEU 18 Ca 0.35 -0.83 0.00 0.00 0.01 0.00 0.00 54.13 53.66 1vsa s LEU 18 Cb 0.18 -1.89 0.00 0.00 0.01 0.00 0.00 46.19 44.49 1vsa s LEU 18 CO -0.11 -0.61 0.00 1.17 1.01 0.00 0.00 176.35 177.81 1vsa n LYS 19 N -1.45 0.00 0.00 1.70 3.00 -1.26 -2.85 118.16 117.30 1vsa n LYS 19 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1vsa n LYS 19 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 1vsa n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1vsa n LEU 20 N 0.00 0.00 -4.01 3.14 4.32 -1.26 -4.83 117.00 114.36 1vsa n LEU 20 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 1vsa n LEU 20 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1vsa n LEU 20 CO 0.00 -0.08 0.17 -0.13 -1.22 0.00 0.00 177.39 176.13 1vsa s ARG 21 N -0.16 1.61 0.00 3.23 0.52 -1.25 -4.09 118.95 118.80 1vsa s ARG 21 Ca 0.00 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 1vsa s ARG 21 Cb 0.00 0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.94 1vsa s ARG 21 CO 0.00 -0.67 0.00 1.55 0.02 0.00 0.00 175.30 176.20 1vsa n VAL 22 N -0.41 0.00 -3.44 3.52 3.14 -1.26 -4.97 118.33 114.91 1vsa n VAL 22 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1vsa n VAL 22 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 1vsa n VAL 22 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1vsa n GLU 23 N 0.00 0.00 -4.46 1.45 -0.00 -1.26 -4.71 120.64 111.66 1vsa n GLU 23 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 56.88 1vsa n GLU 23 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.31 1vsa n GLU 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1vsa s LYS 24 N 0.00 1.40 -0.14 3.44 2.36 -1.26 -1.44 119.74 124.10 1vsa s LYS 24 Ca 0.00 -1.26 -0.09 0.00 -2.55 0.00 0.00 55.97 52.07 1vsa s LYS 24 Cb 0.00 -1.79 0.05 0.00 -1.05 0.00 0.00 37.83 35.04 1vsa s LYS 24 CO 0.00 0.43 0.35 -0.51 1.55 0.00 0.00 175.35 177.17 1vsa s LEU 25 N -1.87 0.23 0.69 5.43 1.02 -1.26 -5.04 118.68 117.89 1vsa s LEU 25 Ca 0.12 0.75 -0.17 0.00 0.02 0.00 0.00 54.13 54.85 1vsa s LEU 25 Cb -0.10 1.15 -0.12 0.00 0.02 0.00 0.00 46.19 47.14 1vsa s LEU 25 CO 0.05 -0.17 -0.14 0.47 0.02 0.00 0.00 176.35 176.58 1vsa n ASP 26 N 3.89 -3.68 0.00 2.29 8.00 -1.26 -4.85 116.55 120.94 1vsa n ASP 26 Ca -0.21 0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1vsa n ASP 26 Cb 0.55 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1vsa n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vsa n ALA 27 N -2.00 0.00 -0.23 2.24 0.00 -1.26 -5.11 120.51 114.15 1vsa n ALA 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1vsa n ALA 27 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1vsa n ALA 27 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vsa n GLU 28 N 0.00 0.00 0.00 0.00 0.28 -1.26 -4.78 120.64 114.88 1vsa n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1vsa n GLU 28 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1vsa n GLU 28 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1vsa n PRO 29 N -0.46 0.84 -1.22 3.44 -0.02 -1.26 -4.83 135.00 131.50 1vsa n PRO 29 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 1vsa n PRO 29 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 1vsa n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vsa n GLY 30 N 0.27 3.83 0.66 -1.23 0.00 -1.26 -4.21 105.19 103.25 1vsa n GLY 30 Ca 0.00 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.66 1vsa n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 31 N 1.31 2.69 -2.54 4.61 0.00 -1.26 -1.69 120.51 123.63 1vsa n ALA 31 Ca 0.42 -0.57 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 1vsa n ALA 31 Cb 0.66 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 1vsa n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1vsa s THR 32 N -2.10 2.42 -0.68 0.00 2.01 -1.26 -5.05 115.64 110.96 1vsa s THR 32 Ca 0.30 -1.99 0.05 0.00 0.31 0.00 0.00 61.69 60.37 1vsa s THR 32 Cb 0.20 -2.82 0.25 0.00 0.01 0.00 0.00 72.50 70.14 1vsa s THR 32 CO 0.37 -0.14 0.80 0.52 -0.69 0.00 0.00 174.62 175.47 1vsa n VAL 33 N -0.96 2.61 -2.89 3.82 0.31 -1.26 -2.71 118.33 117.24 1vsa n VAL 33 Ca -0.04 -5.27 -0.33 0.00 -0.01 0.00 0.00 64.34 58.69 1vsa n VAL 33 Cb 0.64 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 31.40 1vsa n VAL 33 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1vsa s GLU 34 N -2.47 4.13 -0.28 5.55 0.41 -1.00 -4.62 118.70 120.42 1vsa s GLU 34 Ca 0.39 0.95 -0.18 0.00 -0.41 0.00 0.00 54.97 55.72 1vsa s GLU 34 Cb 0.13 -2.26 0.11 0.00 -1.78 0.00 0.00 34.13 30.33 1vsa s GLU 34 CO -0.01 0.01 0.85 -0.48 -0.49 0.00 0.00 175.26 175.14 1vsa s LEU 35 N -3.20 -0.69 0.00 1.80 2.34 -1.26 -1.39 118.68 116.27 1vsa s LEU 35 Ca 0.59 1.15 0.00 0.00 0.06 0.00 0.00 54.13 55.93 1vsa s LEU 35 Cb -0.09 2.07 0.00 0.00 -0.56 0.00 0.00 46.19 47.61 1vsa s LEU 35 CO 0.16 -0.18 0.00 -0.81 -1.06 0.00 0.00 176.35 174.46 1vsa n PRO 36 N 3.69 3.67 0.00 1.48 -0.04 -1.26 -4.78 135.00 137.76 1vsa n PRO 36 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1vsa n PRO 36 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1vsa n PRO 36 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1vsa n VAL 37 N 0.00 0.00 -2.33 0.52 0.24 -1.26 -2.85 118.33 112.65 1vsa n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vsa n VAL 37 Cb 0.00 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 1vsa n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n LEU 38 N 0.00 0.00 0.00 1.34 -0.00 -1.26 -4.67 117.00 112.41 1vsa n LEU 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsa n LEU 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1vsa n LEU 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1vsa n LEU 39 N 0.00 0.00 0.09 1.47 -0.00 -1.15 -2.88 117.00 114.54 1vsa n LEU 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsa n LEU 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1vsa n LEU 39 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.39 177.28 1vsa n LEU 40 N -0.29 -0.07 0.00 1.47 -0.00 -1.26 -4.38 117.00 112.46 1vsa n LEU 40 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 1vsa n LEU 40 Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1vsa n LEU 40 CO 0.00 -0.69 0.00 0.61 -0.00 0.00 0.00 177.39 177.31 1vsa n GLY 41 N 1.62 1.53 0.00 -3.96 0.00 -1.26 -4.50 105.19 98.62 1vsa n GLY 41 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1vsa n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 42 N 0.00 -1.70 3.51 -0.02 0.00 -1.26 -2.47 105.19 103.25 1vsa n GLY 42 Ca 0.00 0.92 -0.28 0.00 0.00 0.00 0.00 46.02 46.67 1vsa n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vsa n GLU 43 N 0.00 0.10 0.00 1.61 2.13 -1.26 -4.58 120.64 118.63 1vsa n GLU 43 Ca 0.00 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1vsa n GLU 43 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1vsa n GLU 43 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1vsa n LYS 44 N 6.86 0.00 -0.22 5.31 4.81 -1.26 -4.94 118.16 128.71 1vsa n LYS 44 Ca 0.64 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 58.28 1vsa n LYS 44 Cb 0.15 0.00 0.34 0.00 0.02 0.00 0.00 35.03 35.54 1vsa n LYS 44 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1vsa n THR 45 N 0.00 -0.16 -3.39 3.15 -2.24 -1.26 -3.18 114.28 107.20 1vsa n THR 45 Ca 0.00 0.97 -0.26 0.00 -2.27 0.00 0.00 64.05 62.49 1vsa n THR 45 Cb 0.00 -1.59 -0.10 0.00 -2.10 0.00 0.00 70.33 66.54 1vsa n THR 45 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1vsa s VAL 46 N -4.55 0.16 -0.87 2.28 1.01 -1.26 -5.11 120.40 112.05 1vsa s VAL 46 Ca -0.04 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.81 1vsa s VAL 46 Cb 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1vsa s VAL 46 CO 0.42 -1.05 0.00 0.55 0.00 0.00 0.00 175.10 175.02 1vsa n VAL 47 N 3.37 0.00 0.00 2.92 3.14 -1.19 -4.74 118.33 121.83 1vsa n VAL 47 Ca 0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1vsa n VAL 47 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 1vsa n VAL 47 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vsa n GLY 48 N 0.00 1.31 3.28 7.55 0.00 -1.26 -4.73 105.19 111.34 1vsa n GLY 48 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1vsa n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vsa s THR 49 N -2.00 -0.88 0.00 2.61 2.01 -1.26 -5.05 115.64 111.07 1vsa s THR 49 Ca 0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1vsa s THR 49 Cb 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.60 1vsa s THR 49 CO 0.00 -0.01 0.00 -0.81 -0.69 0.00 0.00 174.62 173.11 1vsa n PRO 50 N 5.42 0.00 0.00 4.92 -0.04 -1.26 -4.73 135.00 139.30 1vsa n PRO 50 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1vsa n PRO 50 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1vsa n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vsa n VAL 51 N -1.02 0.00 -1.55 0.52 0.31 -1.26 -4.39 118.33 110.94 1vsa n VAL 51 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1vsa n VAL 51 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1vsa n VAL 51 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1vsa n VAL 52 N -0.40 -0.09 0.00 2.52 0.24 -1.26 -4.50 118.33 114.84 1vsa n VAL 52 Ca 0.00 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1vsa n VAL 52 Cb 0.00 -2.73 0.00 0.00 -1.47 0.00 0.00 33.84 29.64 1vsa n VAL 52 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1vsa n GLU 53 N 8.99 0.00 0.00 7.34 4.07 -1.26 -4.77 120.64 135.01 1vsa n GLU 53 Ca 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 1vsa n GLU 53 Cb 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 1vsa n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vsa n GLY 54 N 0.00 2.17 0.46 8.31 0.00 -1.26 -4.09 105.19 110.78 1vsa n GLY 54 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1vsa n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 55 N 0.00 1.65 -2.60 4.61 0.00 -1.14 -4.53 120.51 118.50 1vsa n ALA 55 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1vsa n ALA 55 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1vsa n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vsa s SER 56 N -0.65 6.64 -1.64 0.00 1.04 -1.26 -3.67 113.70 114.16 1vsa s SER 56 Ca 0.00 0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.87 1vsa s SER 56 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1vsa s SER 56 CO 0.00 -1.21 0.42 0.52 0.98 0.00 0.00 173.24 173.96 1vsa n VAL 57 N 6.73 -1.71 -3.70 5.02 0.31 -1.26 -4.98 118.33 118.74 1vsa n VAL 57 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 1vsa n VAL 57 Cb 0.49 -3.35 -0.11 0.00 -0.91 0.00 0.00 33.84 29.96 1vsa n VAL 57 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1vsa s VAL 58 N -3.14 -0.02 0.00 2.52 1.01 -1.24 -5.16 120.40 114.36 1vsa s VAL 58 Ca 0.21 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1vsa s VAL 58 Cb -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1vsa s VAL 58 CO 0.26 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.40 1vsa n ALA 59 N 4.15 0.00 -3.33 5.51 0.00 -1.26 -4.21 120.51 121.36 1vsa n ALA 59 Ca -0.23 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.24 1vsa n ALA 59 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1vsa n ALA 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1vsa s GLU 60 N 1.91 0.50 -0.53 0.00 4.04 -1.13 -4.61 118.70 118.88 1vsa s GLU 60 Ca 0.00 1.04 -0.29 0.00 0.04 0.00 0.00 54.97 55.76 1vsa s GLU 60 Cb 0.00 0.60 -0.11 0.00 0.02 0.00 0.00 34.13 34.65 1vsa s GLU 60 CO 0.00 -0.38 2.40 0.28 -1.84 0.00 0.00 175.26 175.72 1vsa n VAL 61 N 5.39 0.04 -3.66 1.83 0.31 0.24 -4.32 118.33 118.15 1vsa n VAL 61 Ca -0.06 -0.49 -0.38 0.00 -0.01 0.00 0.00 64.34 63.40 1vsa n VAL 61 Cb 0.51 -2.08 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 1vsa n VAL 61 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1vsa s LEU 62 N 10.12 5.47 1.12 7.52 1.43 -0.49 -0.78 118.68 143.07 1vsa s LEU 62 Ca 1.08 -2.84 -0.17 0.00 -1.03 0.00 0.00 54.13 51.17 1vsa s LEU 62 Cb -0.55 -1.91 0.14 0.00 0.03 0.00 0.00 46.19 43.90 1vsa s LEU 62 CO 0.37 -0.40 0.24 0.61 0.23 0.00 0.00 176.35 177.40 1vsa n GLY 63 N 3.54 -2.36 0.00 -3.19 0.00 -0.75 -2.36 105.19 100.07 1vsa n GLY 63 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1vsa n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vsa n HIS 64 N -4.49 0.00 -1.98 1.61 8.25 -1.10 -3.62 115.22 113.89 1vsa n HIS 64 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1vsa n HIS 64 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1vsa n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vsa n GLY 65 N 5.00 0.85 2.06 -1.41 0.00 -0.68 -0.02 105.19 110.99 1vsa n GLY 65 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1vsa n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vsa n ARG 66 N -0.51 0.00 -1.43 1.61 3.00 -1.23 -4.35 116.66 113.75 1vsa n ARG 66 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1vsa n ARG 66 Cb 0.41 -0.67 0.01 0.00 0.00 0.00 0.00 32.46 32.21 1vsa n ARG 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsa n GLY 67 N 2.17 0.55 3.62 5.14 0.00 0.24 -4.62 105.19 112.28 1vsa n GLY 67 Ca 0.00 -0.05 -0.57 0.00 0.00 0.00 0.00 46.02 45.41 1vsa n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vsa n LYS 68 N -0.43 0.78 -4.35 1.61 2.85 -1.26 -3.95 118.16 113.40 1vsa n LYS 68 Ca -0.16 0.28 -0.21 0.00 -1.05 0.00 0.00 58.31 57.17 1vsa n LYS 68 Cb 0.64 -1.89 -0.13 0.00 -0.65 0.00 0.00 35.03 33.00 1vsa n LYS 68 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1vsa s LYS 69 N 1.37 1.00 -0.41 -1.58 2.20 0.02 -4.95 119.74 117.39 1vsa s LYS 69 Ca 0.91 -0.88 -0.21 0.00 -0.36 0.00 0.00 55.97 55.44 1vsa s LYS 69 Cb -1.11 -1.05 0.02 0.00 -1.51 0.00 0.00 37.83 34.17 1vsa s LYS 69 CO 0.57 0.25 0.64 -1.50 -0.36 0.00 0.00 175.35 174.95 1vsa s ILE 70 N -0.97 4.85 0.00 5.43 2.07 -1.26 -3.41 121.20 127.90 1vsa s ILE 70 Ca 0.02 0.26 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1vsa s ILE 70 Cb -0.09 -4.16 0.00 0.00 0.13 0.00 0.00 42.46 38.34 1vsa s ILE 70 CO 0.02 -0.50 0.00 0.18 -1.91 0.00 0.00 174.94 172.72 1vsa n LEU 71 N 6.19 0.00 -3.52 8.50 7.99 -0.94 -4.99 117.00 130.24 1vsa n LEU 71 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.90 1vsa n LEU 71 Cb 0.48 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.77 1vsa n LEU 71 CO 0.52 0.00 0.63 -0.69 -1.51 0.00 0.00 177.39 176.34 1vsa s VAL 72 N 0.27 0.00 0.00 4.08 1.01 -1.13 -4.57 120.40 120.05 1vsa s VAL 72 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1vsa s VAL 72 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1vsa s VAL 72 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 173.90 1vsa n SER 73 N -0.30 0.00 0.00 3.32 7.64 0.80 -4.60 113.62 120.49 1vsa n SER 73 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1vsa n SER 73 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1vsa n SER 73 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1vsa n LYS 74 N 0.00 0.00 -4.02 1.43 5.02 -1.25 -4.69 118.16 114.64 1vsa n LYS 74 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1vsa n LYS 74 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1vsa n LYS 74 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1vsa n PHE 75 N 0.00 0.88 0.00 2.13 0.99 -1.15 -4.86 117.46 115.44 1vsa n PHE 75 Ca 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 57.45 55.55 1vsa n PHE 75 Cb 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 38.22 1vsa n PHE 75 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1vsa n LYS 76 N -0.97 0.00 0.00 -1.08 0.00 -1.26 -4.53 118.16 110.32 1vsa n LYS 76 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.15 1vsa n LYS 76 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1vsa n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vsa n ALA 77 N -0.58 0.00 -0.55 3.14 0.00 -1.16 -4.92 120.51 116.44 1vsa n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vsa n LYS 78 N 0.00 0.00 0.00 0.00 0.00 -0.85 -4.88 118.16 112.43 1vsa n LYS 78 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.66 1vsa n LYS 78 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 35.03 34.83 1vsa n LYS 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vsa n VAL 79 N 0.89 0.00 -3.17 3.15 0.31 -1.12 -4.82 118.33 113.57 1vsa n VAL 79 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1vsa n VAL 79 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1vsa n VAL 79 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1vsa s GLN 80 N 0.00 0.89 0.00 5.55 -0.44 -1.26 -4.85 119.66 119.55 1vsa s GLN 80 Ca 0.00 -1.38 0.00 0.00 -2.50 0.00 0.00 55.36 51.48 1vsa s GLN 80 Cb 0.00 -0.73 0.00 0.00 -1.64 0.00 0.00 33.01 30.64 1vsa s GLN 80 CO 0.00 -1.31 0.00 0.66 0.50 0.00 0.00 175.29 175.14 1vsa n TYR 81 N 3.29 0.00 -3.15 1.67 4.02 -1.26 -4.81 117.16 116.92 1vsa n TYR 81 Ca 0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.70 1vsa n TYR 81 Cb 0.50 -1.18 -0.01 0.00 -0.02 0.00 0.00 39.34 38.63 1vsa n TYR 81 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1vsa n ARG 82 N -2.00 3.94 -0.13 -0.72 0.00 -1.26 -4.58 116.66 111.90 1vsa n ARG 82 Ca 0.00 -4.57 0.07 0.00 -0.00 0.00 0.00 57.85 53.34 1vsa n ARG 82 Cb 0.00 -2.46 0.09 0.00 0.00 0.00 0.00 32.46 30.09 1vsa n ARG 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1vsa n ARG 83 N 1.38 1.24 -1.46 -0.14 1.74 -1.26 -2.01 116.66 116.15 1vsa n ARG 83 Ca 0.26 -2.08 -0.15 0.00 -0.77 0.00 0.00 57.85 55.12 1vsa n ARG 83 Cb 0.35 -1.22 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 1vsa n ARG 83 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1vsa n LYS 84 N -1.01 0.20 0.00 5.56 4.76 -1.26 -3.00 118.16 123.41 1vsa n LYS 84 Ca 0.10 -0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.05 1vsa n LYS 84 Cb 0.59 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 1vsa n LYS 84 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1vsa n LYS 85 N 6.79 0.00 -3.61 1.97 4.81 -1.26 -4.02 118.16 122.83 1vsa n LYS 85 Ca 0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.65 1vsa n LYS 85 Cb 0.33 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.36 1vsa n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vsa n GLY 86 N 3.71 -0.47 3.15 3.14 0.00 -1.26 -4.90 105.19 108.56 1vsa n GLY 86 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1vsa n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vsa s HIS 87 N -2.97 -1.65 0.00 1.61 3.76 -1.26 -5.15 115.29 109.63 1vsa s HIS 87 Ca 0.49 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1vsa s HIS 87 Cb -0.27 0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.71 1vsa s HIS 87 CO 0.61 -1.03 0.00 0.54 -0.85 0.00 0.00 174.74 174.01 1vsa n ARG 88 N 4.92 1.82 -3.70 1.40 1.74 -1.26 -2.94 116.66 118.64 1vsa n ARG 88 Ca 0.08 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.09 1vsa n ARG 88 Cb 0.56 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.98 1vsa n ARG 88 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1vsa s GLN 89 N 0.00 1.37 0.00 5.56 0.74 -1.26 -4.39 119.66 121.68 1vsa s GLN 89 Ca 0.00 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.71 1vsa s GLN 89 Cb 0.00 0.51 0.00 0.00 1.10 0.00 0.00 33.01 34.62 1vsa s GLN 89 CO 0.00 -0.62 0.00 -0.35 -0.55 0.00 0.00 175.29 173.77 1vsa n PRO 90 N -0.42 0.00 0.00 1.67 -0.04 -1.26 0.28 135.00 135.23 1vsa n PRO 90 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1vsa n PRO 90 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 1vsa n PRO 90 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1vsa n TYR 91 N 0.00 0.00 -1.14 0.54 9.36 -1.26 -2.86 117.16 121.80 1vsa n TYR 91 Ca 0.00 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.92 1vsa n TYR 91 Cb 0.00 0.00 0.24 0.00 -0.63 0.00 0.00 39.34 38.95 1vsa n TYR 91 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1vsa s THR 92 N -1.87 1.63 0.00 2.97 -1.32 -1.26 -2.20 115.64 113.58 1vsa s THR 92 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1vsa s THR 92 Cb 0.00 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1vsa s THR 92 CO 0.00 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 173.62 1vsa n GLU 93 N -4.69 0.00 -3.62 7.08 0.00 -1.22 -4.58 120.64 113.60 1vsa n GLU 93 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.93 1vsa n GLU 93 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.98 1vsa n GLU 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1vsa s LEU 94 N 0.00 4.41 -0.26 4.31 1.43 -0.52 -0.80 118.68 127.25 1vsa s LEU 94 Ca 0.00 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1vsa s LEU 94 Cb 0.00 -2.64 0.05 0.00 0.03 0.00 0.00 46.19 43.62 1vsa s LEU 94 CO 0.00 0.28 -0.07 -0.22 0.23 0.00 0.00 176.35 176.57 1vsa s LEU 95 N -1.43 3.44 0.00 1.79 2.96 -1.25 -3.90 118.68 120.29 1vsa s LEU 95 Ca 0.26 -1.20 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 1vsa s LEU 95 Cb -0.15 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1vsa s LEU 95 CO 0.14 -0.19 0.00 -0.38 -1.32 0.00 0.00 176.35 174.60 1vsa n ILE 96 N 4.55 0.00 -3.49 6.68 -0.00 -1.26 0.81 119.36 126.65 1vsa n ILE 96 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.61 1vsa n ILE 96 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 40.03 1vsa n ILE 96 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1vsa s LYS 97 N 4.86 0.25 0.00 0.38 2.47 0.97 -4.67 119.74 124.00 1vsa s LYS 97 Ca 0.00 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.93 1vsa s LYS 97 Cb 0.00 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.57 1vsa s LYS 97 CO 0.00 -0.07 0.00 -0.85 0.16 0.00 0.00 175.35 174.59 1vsa n GLU 98 N 4.22 1.33 0.01 4.03 0.28 -1.13 -1.81 120.64 127.57 1vsa n GLU 98 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1vsa n GLU 98 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1vsa n GLU 98 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1vsa n ILE 99 N -0.12 0.00 0.00 3.84 2.08 -1.14 -3.91 119.36 120.10 1vsa n ILE 99 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1vsa n ILE 99 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1vsa n ILE 99 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1vsa n ARG 100 N -2.19 0.00 0.00 0.38 -4.01 0.04 -4.29 116.66 106.59 1vsa n ARG 100 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1vsa n ARG 100 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1vsa n ARG 100 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00