#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n LEU 2 N 0.00 -0.92 -0.02 -0.89 4.77 -1.26 -5.07 117.00 113.61 1vsa n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1vsa n LEU 2 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1vsa n LEU 2 CO 0.00 0.00 0.33 0.80 -1.33 0.00 0.00 177.39 177.19 1vsa n MET 3 N -0.23 0.27 0.00 3.23 1.56 -1.26 -5.05 117.12 115.65 1vsa n MET 3 Ca 0.00 -0.83 0.00 0.00 -0.27 0.00 0.00 57.70 56.60 1vsa n MET 3 Cb 0.00 -1.01 0.00 0.00 2.15 0.00 0.00 33.22 34.36 1vsa n MET 3 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1vsa n PRO 4 N -0.12 0.00 0.00 2.12 -0.02 -1.26 -5.08 135.00 130.64 1vsa n PRO 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1vsa n PRO 4 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 1vsa n PRO 4 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1vsa n ARG 5 N 0.00 0.00 -0.35 -0.52 1.85 -1.26 -5.17 116.66 111.21 1vsa n ARG 5 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1vsa n ARG 5 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1vsa n ARG 5 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1vsa n ARG 6 N -1.70 0.00 -3.15 2.89 3.00 -1.26 -5.13 116.66 111.32 1vsa n ARG 6 Ca 0.00 0.22 0.06 0.00 -0.00 0.00 0.00 57.85 58.13 1vsa n ARG 6 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 32.46 32.32 1vsa n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vsa s MET 7 N -2.13 0.01 0.00 -0.14 0.23 -1.26 -5.03 119.30 110.97 1vsa s MET 7 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 55.69 54.67 1vsa s MET 7 Cb 0.00 0.01 0.00 0.00 -1.53 0.00 0.00 34.83 33.31 1vsa s MET 7 CO 0.00 -0.01 0.00 0.36 -2.03 0.00 0.00 175.02 173.34 1vsa n LYS 8 N 5.49 0.00 0.00 3.16 0.00 -1.26 -3.97 118.16 121.59 1vsa n LYS 8 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 1vsa n LYS 8 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 1vsa n LYS 8 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1vsa n TYR 9 N 0.91 0.00 0.00 5.58 4.11 -1.26 -3.96 117.16 122.54 1vsa n TYR 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1vsa n TYR 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1vsa n TYR 9 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1vsa n ARG 10 N 0.00 0.00 0.00 -3.48 5.12 -1.25 -5.11 116.66 111.93 1vsa n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1vsa n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1vsa n ARG 10 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1vsa n LYS 11 N 0.00 0.00 0.00 5.56 0.00 -1.25 -4.94 118.16 117.53 1vsa n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsa n LYS 11 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1vsa n LYS 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1vsa n GLN 12 N 0.00 0.00 -1.23 -1.58 3.00 -1.26 -4.87 117.38 111.44 1vsa n GLN 12 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1vsa n GLN 12 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 1vsa n GLN 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1vsa n GLN 13 N -0.30 -2.40 -3.66 -1.09 6.02 -1.26 -4.80 117.38 109.89 1vsa n GLN 13 Ca 0.00 1.80 -0.29 0.00 -0.01 0.00 0.00 57.00 58.50 1vsa n GLN 13 Cb 0.00 -2.99 -0.12 0.00 1.02 0.00 0.00 30.24 28.15 1vsa n GLN 13 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1vsa s ARG 14 N -3.27 1.31 -0.29 -1.09 3.03 -1.26 -5.06 118.95 112.33 1vsa s ARG 14 Ca 0.00 -2.14 -0.18 0.00 2.03 0.00 0.00 55.73 55.43 1vsa s ARG 14 Cb 0.00 -2.24 0.14 0.00 -1.03 0.00 0.00 34.95 31.82 1vsa s ARG 14 CO 0.00 -1.22 0.98 0.20 -1.13 0.00 0.00 175.30 174.13 1vsa s GLY 15 N 0.13 -0.07 0.00 3.88 0.00 -1.26 -5.07 107.32 104.93 1vsa s GLY 15 Ca 0.21 2.99 0.00 0.00 0.00 0.00 0.00 44.72 47.92 1vsa s GLY 15 CO -0.05 2.38 0.00 -2.13 0.00 0.00 0.00 173.10 173.30 1vsa n ARG 16 N 3.32 -1.14 0.00 2.90 3.00 -1.26 -5.09 116.66 118.40 1vsa n ARG 16 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1vsa n ARG 16 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1vsa n ARG 16 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1vsa n LEU 17 N 0.00 0.00 0.00 6.15 -0.00 -1.26 -5.12 117.00 116.77 1vsa n LEU 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsa n LEU 17 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1vsa n LEU 17 CO 0.00 -0.48 0.00 2.29 -0.00 0.00 0.00 177.39 179.20 1vsa n LYS 18 N -2.45 -1.61 0.00 1.47 2.85 -1.26 -5.17 118.16 111.98 1vsa n LYS 18 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vsa n LYS 18 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vsa n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vsa n GLY 19 N -1.56 0.90 0.00 2.58 0.00 -1.26 -5.07 105.19 100.78 1vsa n GLY 19 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1vsa n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 20 N -3.00 0.00 -2.15 4.61 0.00 -1.26 -5.02 120.51 113.69 1vsa n ALA 20 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1vsa n ALA 20 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1vsa n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vsa n THR 21 N -0.05 -0.04 0.00 0.00 5.66 -1.26 -3.21 114.28 115.39 1vsa n THR 21 Ca 0.00 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1vsa n THR 21 Cb 0.00 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 1vsa n THR 21 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1vsa n LYS 22 N -1.06 0.00 0.00 1.09 0.00 -1.26 -4.36 118.16 112.57 1vsa n LYS 22 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1vsa n LYS 22 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.09 1vsa n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vsa n GLY 23 N 0.00 -1.81 1.06 2.58 0.00 -1.20 -4.61 105.19 101.21 1vsa n GLY 23 Ca 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 46.02 44.50 1vsa n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 24 N -1.77 0.34 0.00 -0.02 0.00 -1.25 -4.74 105.19 97.75 1vsa n GLY 24 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1vsa n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vsa n ASP 25 N -0.28 0.00 0.00 1.61 4.64 -1.26 -3.30 116.55 117.96 1vsa n ASP 25 Ca 0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.43 1vsa n ASP 25 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.23 1vsa n ASP 25 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1vsa n TYR 26 N 1.08 0.00 0.00 -0.67 9.36 -1.26 -4.84 117.16 120.84 1vsa n TYR 26 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1vsa n TYR 26 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1vsa n TYR 26 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1vsa n VAL 27 N 0.00 0.00 0.00 2.97 0.24 -1.26 -4.92 118.33 115.36 1vsa n VAL 27 Ca 0.00 0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.73 1vsa n VAL 27 Cb 0.00 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 1vsa n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n ALA 28 N -3.00 0.00 0.24 2.33 0.00 -1.26 -5.00 120.51 113.82 1vsa n ALA 28 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1vsa n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1vsa n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vsa n PHE 29 N -0.55 0.00 -3.48 0.00 -0.00 -1.26 -4.90 117.46 107.26 1vsa n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1vsa n PHE 29 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 39.46 1vsa n PHE 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1vsa n GLY 30 N 1.27 5.77 0.00 7.13 0.00 -1.26 -5.13 105.19 112.97 1vsa n GLY 30 Ca 0.01 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1vsa n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vsa n ASP 31 N -0.70 0.00 -4.50 1.61 2.03 -1.13 -4.79 116.55 109.07 1vsa n ASP 31 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1vsa n ASP 31 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 1vsa n ASP 31 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1vsa n PHE 32 N 0.00 0.66 -1.86 -0.67 3.72 -1.14 -4.58 117.46 113.59 1vsa n PHE 32 Ca 0.00 -0.02 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 1vsa n PHE 32 Cb 0.00 -1.74 0.04 0.00 -0.94 0.00 0.00 39.48 36.84 1vsa n PHE 32 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1vsa s GLY 33 N 6.18 2.85 -0.37 1.37 0.00 -1.26 -1.69 107.32 114.40 1vsa s GLY 33 Ca 1.00 1.22 -0.10 0.00 0.00 0.00 0.00 44.72 46.84 1vsa s GLY 33 CO 0.26 1.70 0.18 -2.27 0.00 0.00 0.00 173.10 172.96 1vsa s LEU 34 N -3.73 4.62 -0.12 0.66 1.98 0.96 -2.96 118.68 120.10 1vsa s LEU 34 Ca 0.74 -1.06 -0.04 0.00 -2.89 0.00 0.00 54.13 50.88 1vsa s LEU 34 Cb -0.37 -1.98 -0.04 0.00 0.66 0.00 0.00 46.19 44.47 1vsa s LEU 34 CO 0.42 -0.38 0.04 0.68 -1.89 0.00 0.00 176.35 175.23 1vsa s VAL 35 N 1.50 4.64 0.00 1.68 -7.23 -0.98 -2.81 120.40 117.20 1vsa s VAL 35 Ca 0.01 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 1vsa s VAL 35 Cb -0.19 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1vsa s VAL 35 CO 0.05 0.57 0.00 0.00 -0.31 0.00 0.00 175.10 175.42 1vsa n ALA 36 N 2.46 0.00 -0.20 1.32 0.00 -1.16 -2.96 120.51 119.97 1vsa n ALA 36 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1vsa n ALA 36 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1vsa n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vsa n LEU 37 N 0.00 0.00 -4.77 0.00 4.77 -1.15 -4.43 117.00 111.42 1vsa n LEU 37 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1vsa n LEU 37 Cb 0.00 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1vsa n LEU 37 CO 0.00 -0.40 0.72 -1.61 -1.33 0.00 0.00 177.39 174.77 1vsa s GLU 38 N -0.80 4.54 -0.49 3.23 8.01 -1.26 -2.77 118.70 129.17 1vsa s GLU 38 Ca 0.00 1.56 -0.19 0.00 0.01 0.00 0.00 54.97 56.35 1vsa s GLU 38 Cb 0.00 -2.95 0.05 0.00 -4.31 0.00 0.00 34.13 26.93 1vsa s GLU 38 CO 0.00 0.19 0.58 -1.25 0.01 0.00 0.00 175.26 174.80 1vsa s PRO 39 N -1.81 3.12 0.15 0.39 0.04 -1.26 -4.47 135.00 131.16 1vsa s PRO 39 Ca 0.49 -0.88 -0.23 0.00 0.04 0.00 0.00 61.00 60.42 1vsa s PRO 39 Cb -0.25 -4.07 0.08 0.00 0.04 0.00 0.00 34.50 30.29 1vsa s PRO 39 CO 0.32 -1.15 1.08 0.00 0.04 0.00 0.00 177.00 177.29 1vsa s ALA 40 N 2.50 -1.74 -0.04 8.56 0.00 -1.23 -4.93 121.76 124.88 1vsa s ALA 40 Ca 0.14 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1vsa s ALA 40 Cb -0.19 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1vsa s ALA 40 CO 0.12 -1.08 0.55 -1.58 0.00 0.00 0.00 175.76 173.77 1vsa s TRP 41 N -2.16 3.63 0.32 0.00 0.51 -1.26 -2.95 118.94 117.02 1vsa s TRP 41 Ca 0.23 1.09 0.08 0.00 -2.12 0.00 0.00 56.10 55.38 1vsa s TRP 41 Cb -0.02 -2.58 -0.04 0.00 -0.81 0.00 0.00 33.47 30.02 1vsa s TRP 41 CO 0.04 0.30 0.18 -1.50 -0.51 0.00 0.00 176.95 175.46 1vsa s ILE 42 N 0.06 3.42 -0.14 2.03 -1.16 -1.15 -4.90 121.20 119.36 1vsa s ILE 42 Ca 0.29 -1.58 -0.07 0.00 -0.51 0.00 0.00 60.65 58.78 1vsa s ILE 42 Cb -0.17 -3.08 -0.04 0.00 0.61 0.00 0.00 42.46 39.77 1vsa s ILE 42 CO 0.15 -0.22 0.11 0.42 -2.81 0.00 0.00 174.94 172.58 1vsa s THR 43 N -2.34 5.24 0.29 4.00 -4.23 -1.26 -2.86 115.64 114.48 1vsa s THR 43 Ca 0.37 0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1vsa s THR 43 Cb -0.05 -3.31 0.41 0.00 1.34 0.00 0.00 72.50 70.90 1vsa s THR 43 CO 0.24 0.56 1.50 0.00 -0.54 0.00 0.00 174.62 176.37 1vsa n ALA 44 N 2.56 0.43 -1.00 3.99 0.00 -1.14 -2.58 120.51 122.78 1vsa n ALA 44 Ca -0.18 1.03 0.00 0.00 0.00 0.00 0.00 53.44 54.29 1vsa n ALA 44 Cb 0.54 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1vsa n ALA 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1vsa n GLN 45 N -5.46 0.00 -0.16 0.00 6.02 -1.26 -2.27 117.38 114.25 1vsa n GLN 45 Ca 0.21 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.46 1vsa n GLN 45 Cb 0.68 -0.75 0.25 0.00 1.02 0.00 0.00 30.24 31.44 1vsa n GLN 45 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1vsa n GLN 46 N -0.37 -0.02 0.22 -1.09 6.02 -1.06 0.24 117.38 121.31 1vsa n GLN 46 Ca 0.00 0.49 -0.11 0.00 -0.01 0.00 0.00 57.00 57.37 1vsa n GLN 46 Cb 0.00 -0.94 -0.06 0.00 1.02 0.00 0.00 30.24 30.26 1vsa n GLN 46 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1vsa h ILE 47 N 0.00 0.00 -0.32 5.09 2.04 -1.32 -3.05 117.51 119.94 1vsa h ILE 47 Ca 0.33 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.26 1vsa h ILE 47 Cb 1.01 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1vsa h ILE 47 CO -0.21 0.00 -0.11 -0.33 0.00 0.00 0.00 178.15 177.49 1vsa h GLU 48 N -0.65 -0.05 0.00 2.37 3.07 -0.04 -0.89 114.58 118.40 1vsa h GLU 48 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1vsa h GLU 48 Cb 0.53 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1vsa h GLU 48 CO 0.02 -0.03 0.20 0.00 -1.40 0.00 0.00 179.01 177.80 1vsa n ALA 49 N -2.66 0.59 -0.18 3.43 0.00 -1.02 -2.93 120.51 117.73 1vsa n ALA 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1vsa n ALA 49 Cb 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1vsa n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa n ALA 50 N -1.23 0.43 -0.11 0.00 0.00 -0.35 -4.58 120.51 114.68 1vsa n ALA 50 Ca 0.00 -0.17 0.26 0.00 0.00 0.00 0.00 53.44 53.52 1vsa n ALA 50 Cb 0.20 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.19 1vsa n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ARG 51 N 0.00 0.00 0.00 0.00 -0.00 -1.51 -3.00 114.38 109.87 1vsa h ARG 51 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1vsa h ARG 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1vsa h ARG 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.97 181.30 1vsa n VAL 52 N -3.39 0.00 -0.23 2.04 0.24 -1.15 0.10 118.33 115.93 1vsa n VAL 52 Ca 0.18 0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 62.67 1vsa n VAL 52 Cb 1.23 -0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 32.63 1vsa n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n ALA 53 N -3.00 -0.23 -0.51 2.33 0.00 -1.14 0.11 120.51 118.07 1vsa n ALA 53 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1vsa n ALA 53 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1vsa n ALA 53 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1vsa n MET 54 N -4.79 0.00 -0.31 0.00 2.00 -1.18 0.49 117.12 113.33 1vsa n MET 54 Ca 0.03 0.63 -0.06 0.00 0.00 0.00 0.00 57.70 58.30 1vsa n MET 54 Cb 0.19 -1.07 -0.05 0.00 0.00 0.00 0.00 33.22 32.29 1vsa n MET 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1vsa n VAL 55 N -1.77 -0.48 0.11 2.03 0.31 0.29 0.12 118.33 118.95 1vsa n VAL 55 Ca 0.00 1.79 -0.04 0.00 -0.01 0.00 0.00 64.34 66.08 1vsa n VAL 55 Cb 0.00 -2.25 0.09 0.00 -0.91 0.00 0.00 33.84 30.77 1vsa n VAL 55 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1vsa h ARG 56 N 0.00 0.04 0.00 5.55 2.43 -1.35 0.90 114.38 121.95 1vsa h ARG 56 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1vsa h ARG 56 Cb 0.34 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1vsa h ARG 56 CO -0.71 0.75 0.00 1.58 -1.51 0.00 0.00 179.97 180.08 1vsa n HIS 57 N -3.70 0.00 -2.94 2.20 -0.00 0.23 -1.02 115.22 109.98 1vsa n HIS 57 Ca -0.01 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.96 1vsa n HIS 57 Cb 0.70 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.55 1vsa n HIS 57 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1vsa n PHE 58 N -0.71 1.97 0.00 1.57 0.99 0.33 -4.93 117.46 116.68 1vsa n PHE 58 Ca 0.06 -3.64 0.00 0.00 -0.00 0.00 0.00 57.45 53.87 1vsa n PHE 58 Cb 0.03 -0.40 0.00 0.00 -1.00 0.00 0.00 39.48 38.11 1vsa n PHE 58 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1vsa n ARG 59 N -0.03 0.00 0.11 -1.08 0.00 -0.19 0.29 116.66 115.76 1vsa n ARG 59 Ca 0.26 0.05 0.16 0.00 -0.00 0.00 0.00 57.85 58.33 1vsa n ARG 59 Cb 0.60 -0.32 0.46 0.00 -0.00 0.00 0.00 32.46 33.20 1vsa n ARG 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1vsa h ARG 60 N 0.00 0.00 0.00 2.89 -0.00 -1.89 -3.46 114.38 111.93 1vsa h ARG 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1vsa h ARG 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1vsa h ARG 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.38 1vsa n GLY 61 N -1.51 -0.11 0.00 0.08 0.00 0.15 -5.16 105.19 98.63 1vsa n GLY 61 Ca 0.08 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1vsa n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 62 N 0.00 2.91 0.00 -0.02 0.00 -1.25 -4.39 105.19 102.44 1vsa n GLY 62 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vsa n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vsa n LYS 63 N 0.00 0.00 -3.52 1.61 4.81 -1.26 -4.83 118.16 114.97 1vsa n LYS 63 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1vsa n LYS 63 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1vsa n LYS 63 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1vsa s ILE 64 N -0.67 0.00 0.32 3.15 2.07 -1.26 -3.31 121.20 121.51 1vsa s ILE 64 Ca 0.00 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 1vsa s ILE 64 Cb 0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 1vsa s ILE 64 CO 0.00 0.00 0.98 -0.36 -1.91 0.00 0.00 174.94 173.65 1vsa s PHE 65 N -2.42 3.64 -0.61 3.50 0.40 -0.93 -4.79 117.98 116.76 1vsa s PHE 65 Ca 0.01 1.77 0.06 0.00 -0.60 0.00 0.00 56.93 58.17 1vsa s PHE 65 Cb -0.01 -3.01 0.24 0.00 0.51 0.00 0.00 43.02 40.76 1vsa s PHE 65 CO -0.04 -0.00 0.70 0.44 0.70 0.00 0.00 175.22 177.01 1vsa n ILE 66 N 0.63 1.90 -2.37 0.64 -6.64 -1.26 -2.94 119.36 109.33 1vsa n ILE 66 Ca 0.02 -5.03 -0.43 0.00 -1.77 0.00 0.00 62.75 55.54 1vsa n ILE 66 Cb 0.49 -2.08 -0.02 0.00 -1.44 0.00 0.00 39.64 36.58 1vsa n ILE 66 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1vsa s ARG 67 N -2.23 4.21 0.00 6.28 0.52 -0.59 -4.85 118.95 122.29 1vsa s ARG 67 Ca 0.38 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1vsa s ARG 67 Cb 0.14 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1vsa s ARG 67 CO -0.04 -0.75 0.00 0.44 0.02 0.00 0.00 175.30 174.98 1vsa n ILE 68 N 5.44 0.00 0.00 1.52 -6.64 -1.26 -4.56 119.36 113.86 1vsa n ILE 68 Ca 0.14 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.12 1vsa n ILE 68 Cb 0.45 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.65 1vsa n ILE 68 CO 0.00 0.00 0.00 2.22 -1.77 0.00 0.00 176.55 177.00 1vsa n PHE 69 N 3.31 0.00 -2.12 4.28 -0.00 -1.26 -5.08 117.46 116.58 1vsa n PHE 69 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 1vsa n PHE 69 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1vsa n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1vsa s PRO 70 N -2.00 3.61 0.24 3.97 0.04 -1.26 -3.60 135.00 135.99 1vsa s PRO 70 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1vsa s PRO 70 Cb 0.00 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1vsa s PRO 70 CO 0.00 -0.45 0.00 -0.25 0.04 0.00 0.00 177.00 176.34 1vsa n ASP 71 N -2.53 -0.98 -3.71 6.66 8.00 0.28 -4.86 116.55 119.42 1vsa n ASP 71 Ca 0.04 0.43 -0.14 0.00 0.71 0.00 0.00 54.79 55.83 1vsa n ASP 71 Cb 0.54 1.07 -0.14 0.00 -0.02 0.00 0.00 41.12 42.57 1vsa n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1vsa s LYS 72 N -2.00 0.12 0.00 -1.24 2.36 -1.12 -4.95 119.74 112.91 1vsa s LYS 72 Ca 0.00 0.52 0.00 0.00 -2.55 0.00 0.00 55.97 53.94 1vsa s LYS 72 Cb 0.00 -0.16 0.00 0.00 -1.05 0.00 0.00 37.83 36.62 1vsa s LYS 72 CO 0.00 -0.21 0.00 -2.30 1.55 0.00 0.00 175.35 174.39 1vsa n PRO 73 N 4.64 0.00 -3.53 4.03 -0.02 -1.23 -0.95 135.00 137.94 1vsa n PRO 73 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1vsa n PRO 73 Cb 0.51 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 1vsa n PRO 73 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1vsa n TYR 74 N 0.00 0.00 0.00 6.00 9.36 -1.17 -4.21 117.16 127.13 1vsa n TYR 74 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1vsa n TYR 74 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1vsa n TYR 74 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1vsa n THR 75 N -0.11 0.00 -2.06 2.97 -1.04 -1.24 -2.97 114.28 109.83 1vsa n THR 75 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1vsa n THR 75 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1vsa n THR 75 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1vsa n LYS 76 N 0.00 -1.02 -1.87 -2.82 4.81 -1.26 -2.82 118.16 113.18 1vsa n LYS 76 Ca 0.00 1.20 -0.40 0.00 -0.87 0.00 0.00 58.31 58.23 1vsa n LYS 76 Cb 0.00 -3.22 -0.03 0.00 0.02 0.00 0.00 35.03 31.80 1vsa n LYS 76 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1vsa s LYS 77 N -1.61 2.87 0.08 1.64 -0.14 -1.26 -4.32 119.74 116.99 1vsa s LYS 77 Ca 0.10 1.28 -0.11 0.00 -1.36 0.00 0.00 55.97 55.87 1vsa s LYS 77 Cb -0.03 -4.35 0.01 0.00 -1.68 0.00 0.00 37.83 31.79 1vsa s LYS 77 CO 0.32 -2.41 0.65 -2.30 -0.76 0.00 0.00 175.35 170.86 1vsa n PRO 78 N 8.80 -0.16 -4.19 -1.68 -0.02 -1.26 -4.70 135.00 131.80 1vsa n PRO 78 Ca 0.26 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.27 1vsa n PRO 78 Cb 0.50 -0.95 -0.10 0.00 -0.02 0.00 0.00 33.50 32.92 1vsa n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1vsa s LEU 79 N -9.12 1.92 0.00 2.45 2.96 -1.26 -5.13 118.68 110.49 1vsa s LEU 79 Ca -0.05 -1.20 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 1vsa s LEU 79 Cb 0.06 0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.91 1vsa s LEU 79 CO 0.28 -0.67 0.00 -0.62 -1.32 0.00 0.00 176.35 174.02 1vsa n GLU 80 N -0.15 -0.24 0.00 1.98 1.02 -1.26 -4.81 120.64 117.18 1vsa n GLU 80 Ca -0.06 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1vsa n GLU 80 Cb 0.63 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1vsa n GLU 80 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1vsa n VAL 81 N -1.39 0.00 0.00 2.62 0.24 -1.26 -5.04 118.33 113.50 1vsa n VAL 81 Ca 0.00 0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.68 1vsa n VAL 81 Cb 0.05 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 1vsa n VAL 81 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1vsa n ARG 82 N 0.00 0.00 -3.31 7.34 0.00 -1.26 -5.07 116.66 114.36 1vsa n ARG 82 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1vsa n ARG 82 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.44 1vsa n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vsa s MET 83 N 0.00 0.54 1.65 2.89 0.23 -1.26 -5.16 119.30 118.19 1vsa s MET 83 Ca 0.00 1.10 0.00 0.00 -1.03 0.00 0.00 55.69 55.76 1vsa s MET 83 Cb 0.00 0.63 0.00 0.00 -1.53 0.00 0.00 34.83 33.93 1vsa s MET 83 CO 0.00 -0.46 0.00 0.41 -2.03 0.00 0.00 175.02 172.94 1vsa n GLY 84 N 5.42 -1.33 7.00 3.16 0.00 -1.26 -5.02 105.19 113.16 1vsa n GLY 84 Ca -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1vsa n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsa n LYS 85 N -0.87 0.00 -2.71 1.61 5.02 -1.26 -4.79 118.16 115.16 1vsa n LYS 85 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1vsa n LYS 85 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.12 1vsa n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vsa n GLY 86 N 0.00 1.08 3.33 0.72 0.00 -1.26 -5.15 105.19 103.92 1vsa n GLY 86 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1vsa n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsa n LYS 87 N -0.32 -1.59 -1.01 1.61 4.01 -1.26 -3.03 118.16 116.56 1vsa n LYS 87 Ca -0.01 -0.44 -0.01 0.00 -0.51 0.00 0.00 58.31 57.35 1vsa n LYS 87 Cb 0.80 -1.81 -0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1vsa n LYS 87 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vsa n GLY 88 N 1.75 0.41 0.00 0.72 0.00 -1.13 -3.64 105.19 103.31 1vsa n GLY 88 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vsa n GLY 88 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vsa n ASN 89 N -0.12 0.00 -1.91 1.61 0.23 -1.16 -3.18 115.26 110.73 1vsa n ASN 89 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1vsa n ASN 89 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1vsa n ASN 89 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1vsa n VAL 90 N 0.00 0.00 -0.10 3.53 3.14 -1.26 -2.90 118.33 120.75 1vsa n VAL 90 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 1vsa n VAL 90 Cb 0.00 -0.94 -0.07 0.00 -1.06 0.00 0.00 33.84 31.76 1vsa n VAL 90 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1vsa n GLU 91 N 1.89 0.42 -3.60 1.45 0.00 -1.22 -5.05 120.64 114.53 1vsa n GLU 91 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 57.16 57.30 1vsa n GLU 91 Cb 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 31.44 30.15 1vsa n GLU 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1vsa s GLY 92 N -5.47 -0.55 -0.10 8.31 0.00 -1.14 -5.08 107.32 103.28 1vsa s GLY 92 Ca -0.26 2.57 -0.13 0.00 0.00 0.00 0.00 44.72 46.90 1vsa s GLY 92 CO 0.36 2.96 0.30 -0.19 0.00 0.00 0.00 173.10 176.53 1vsa s TYR 93 N 2.48 3.57 -0.04 1.90 2.02 -1.26 -3.07 117.35 122.96 1vsa s TYR 93 Ca -0.06 0.70 0.01 0.00 -0.37 0.00 0.00 57.07 57.35 1vsa s TYR 93 Cb -0.09 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1vsa s TYR 93 CO -0.19 0.46 -0.02 0.14 -1.57 0.00 0.00 175.55 174.37 1vsa s VAL 94 N -0.30 4.03 0.07 0.71 -7.23 -0.12 -2.90 120.40 114.66 1vsa s VAL 94 Ca 0.18 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1vsa s VAL 94 Cb -0.14 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1vsa s VAL 94 CO 0.07 0.49 0.13 0.00 -0.31 0.00 0.00 175.10 175.48 1vsa s ALA 95 N -0.95 3.74 -0.00 1.32 0.00 -1.13 0.10 121.76 124.83 1vsa s ALA 95 Ca 0.16 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1vsa s ALA 95 Cb -0.11 -1.59 -0.07 0.00 0.00 0.00 0.00 23.12 21.34 1vsa s ALA 95 CO 0.06 0.78 1.76 0.08 0.00 0.00 0.00 175.76 178.44 1vsa s VAL 96 N -1.44 3.29 -0.13 0.00 1.01 -1.24 -2.96 120.40 118.93 1vsa s VAL 96 Ca 0.32 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1vsa s VAL 96 Cb -0.12 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1vsa s VAL 96 CO 0.24 -0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.48 1vsa s VAL 97 N 3.92 1.50 0.04 2.92 1.01 -1.15 -4.89 120.40 123.75 1vsa s VAL 97 Ca 0.79 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1vsa s VAL 97 Cb -0.38 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1vsa s VAL 97 CO 0.34 0.45 0.02 -0.54 0.00 0.00 0.00 175.10 175.36 1vsa s LYS 98 N 1.32 2.75 -0.12 2.72 1.02 -1.26 -3.49 119.74 122.68 1vsa s LYS 98 Ca 0.01 -0.68 -0.34 0.00 0.02 0.00 0.00 55.97 54.98 1vsa s LYS 98 Cb -0.14 -2.66 -0.11 0.00 -0.52 0.00 0.00 37.83 34.41 1vsa s LYS 98 CO -0.07 0.59 1.93 -2.30 -0.92 0.00 0.00 175.35 174.58 1vsa n PRO 99 N 0.99 2.07 -0.33 -1.68 -0.02 -1.26 -0.97 135.00 133.80 1vsa n PRO 99 Ca -0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1vsa n PRO 99 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1vsa n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vsa n GLY 100 N 4.68 1.65 3.33 -1.23 0.00 -1.11 -3.76 105.19 108.75 1vsa n GLY 100 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1vsa n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa n ARG 101 N -2.00 0.11 -1.08 1.61 5.12 -0.14 -3.63 116.66 116.66 1vsa n ARG 101 Ca 0.00 0.04 -0.30 0.00 -1.93 0.00 0.00 57.85 55.67 1vsa n ARG 101 Cb 0.00 -1.11 0.16 0.00 -1.16 0.00 0.00 32.46 30.34 1vsa n ARG 101 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1vsa s VAL 102 N -1.66 2.51 0.00 1.55 1.01 -1.21 -2.99 120.40 119.61 1vsa s VAL 102 Ca 0.60 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1vsa s VAL 102 Cb -0.62 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1vsa s VAL 102 CO 0.62 -0.22 0.00 0.23 0.00 0.00 0.00 175.10 175.73 1vsa n MET 103 N -4.05 0.00 -3.72 2.72 0.00 -1.12 -4.88 117.12 106.07 1vsa n MET 103 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.69 1vsa n MET 103 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 33.22 33.43 1vsa n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1vsa s PHE 104 N -1.00 -0.28 -0.29 2.03 0.40 -1.19 -1.53 117.98 116.11 1vsa s PHE 104 Ca 0.00 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1vsa s PHE 104 Cb 0.00 0.65 0.15 0.00 0.51 0.00 0.00 43.02 44.34 1vsa s PHE 104 CO 0.00 -1.05 0.38 -1.21 0.70 0.00 0.00 175.22 174.05 1vsa s GLU 105 N -3.74 0.40 1.35 0.44 2.02 -1.15 0.32 118.70 118.34 1vsa s GLU 105 Ca 0.08 0.03 -0.22 0.00 0.02 0.00 0.00 54.97 54.88 1vsa s GLU 105 Cb -0.04 -0.40 0.34 0.00 0.10 0.00 0.00 34.13 34.14 1vsa s GLU 105 CO 0.01 -1.04 1.00 0.54 0.02 0.00 0.00 175.26 175.78 1vsa s VAL 106 N 2.46 1.33 0.01 2.63 0.11 -0.68 -2.18 120.40 124.08 1vsa s VAL 106 Ca 0.10 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1vsa s VAL 106 Cb -0.13 -2.23 0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1vsa s VAL 106 CO -0.30 0.00 0.23 0.00 -3.33 0.00 0.00 175.10 171.70 1vsa n ALA 107 N -5.33 -0.62 0.00 1.54 0.00 -1.21 -2.84 120.51 112.04 1vsa n ALA 107 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1vsa n ALA 107 Cb 0.60 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1vsa n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 108 N -0.16 0.21 3.61 0.00 0.00 -1.26 -4.73 105.19 102.86 1vsa n GLY 108 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1vsa n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsa s VAL 109 N 0.00 4.94 0.22 1.61 -7.23 -1.26 -5.11 120.40 113.56 1vsa s VAL 109 Ca 0.00 0.03 -0.04 0.00 -1.81 0.00 0.00 61.98 60.16 1vsa s VAL 109 Cb 0.00 -3.27 0.05 0.00 0.56 0.00 0.00 36.38 33.72 1vsa s VAL 109 CO 0.00 0.40 0.27 0.35 -0.31 0.00 0.00 175.10 175.80 1vsa n THR 110 N 4.04 0.00 0.00 5.32 -2.24 -1.26 -3.84 114.28 116.30 1vsa n THR 110 Ca -0.16 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1vsa n THR 110 Cb 0.52 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1vsa n THR 110 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1vsa n GLU 111 N -1.72 0.00 -0.11 -0.78 0.28 -1.26 -0.00 120.64 117.05 1vsa n GLU 111 Ca 0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.85 1vsa n GLU 111 Cb 0.12 -1.10 -0.07 0.00 1.43 0.00 0.00 31.44 31.82 1vsa n GLU 111 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1vsa n GLU 112 N 0.63 0.54 -0.09 3.44 4.71 -1.26 -4.00 120.64 124.60 1vsa n GLU 112 Ca 0.00 0.38 -0.20 0.00 -0.01 0.00 0.00 57.16 57.34 1vsa n GLU 112 Cb 0.00 -1.58 -0.12 0.00 -1.01 0.00 0.00 31.44 28.72 1vsa n GLU 112 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1vsa n GLN 113 N -4.42 0.67 -0.38 3.49 1.13 -0.25 -4.43 117.38 113.20 1vsa n GLN 113 Ca -0.31 0.19 -0.02 0.00 -1.94 0.00 0.00 57.00 54.93 1vsa n GLN 113 Cb 0.63 -1.57 0.11 0.00 0.11 0.00 0.00 30.24 29.52 1vsa n GLN 113 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vsa h ALA 114 N -0.05 1.28 -3.00 -1.58 0.00 -0.53 0.48 119.26 115.85 1vsa h ALA 114 Ca -0.54 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1vsa h ALA 114 Cb 1.91 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1vsa h ALA 114 CO -0.07 0.67 0.00 -1.33 0.00 0.00 0.00 179.25 178.52 1vsa n MET 115 N -4.38 0.00 -0.32 0.00 2.81 -1.26 -2.75 117.12 111.22 1vsa n MET 115 Ca 0.12 0.20 0.20 0.00 -1.81 0.00 0.00 57.70 56.41 1vsa n MET 115 Cb 0.01 -0.98 0.40 0.00 -0.71 0.00 0.00 33.22 31.94 1vsa n MET 115 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1vsa h GLU 116 N 0.00 0.23 -0.43 0.03 4.39 -1.77 -1.14 114.58 115.90 1vsa h GLU 116 Ca 0.00 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1vsa h GLU 116 Cb 0.00 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1vsa h GLU 116 CO 0.00 0.15 -0.25 0.00 -1.16 0.00 0.00 179.01 177.75 1vsa n ALA 117 N -2.51 -0.27 -0.04 3.43 0.00 0.17 0.16 120.51 121.44 1vsa n ALA 117 Ca 0.28 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.95 1vsa n ALA 117 Cb 0.88 -0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.31 1vsa n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vsa h LEU 118 N 0.00 0.85 0.00 0.00 4.07 -1.14 -0.70 115.31 118.40 1vsa h LEU 118 Ca 0.07 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1vsa h LEU 118 Cb 0.18 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1vsa h LEU 118 CO -0.40 1.25 0.00 0.54 -1.08 0.00 0.00 178.44 178.74 1vsa n ARG 119 N -3.98 0.37 -0.01 1.13 3.00 0.41 -0.68 116.66 116.91 1vsa n ARG 119 Ca -0.04 0.08 -0.01 0.00 -0.01 0.00 0.00 57.85 57.86 1vsa n ARG 119 Cb 0.64 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.59 1vsa n ARG 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1vsa n ILE 120 N -1.19 0.12 0.49 0.55 5.41 0.26 -4.14 119.36 120.86 1vsa n ILE 120 Ca 0.11 -0.06 -0.20 0.00 1.00 0.00 0.00 62.75 63.59 1vsa n ILE 120 Cb 0.12 -0.82 -0.10 0.00 -0.71 0.00 0.00 39.64 38.13 1vsa n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vsa h ALA 121 N 0.05 -1.33 -0.35 -1.39 0.00 -0.80 0.18 119.26 115.63 1vsa h ALA 121 Ca -0.05 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1vsa h ALA 121 Cb 1.09 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 1vsa h ALA 121 CO -0.00 -1.25 -0.20 0.78 0.00 0.00 0.00 179.25 178.58 1vsa h GLY 122 N -1.28 0.02 -0.30 0.00 0.00 -1.14 0.10 103.07 100.47 1vsa h GLY 122 Ca -0.12 0.26 0.20 0.00 0.00 0.00 0.00 47.33 47.66 1vsa h GLY 122 CO 0.18 -0.19 0.18 0.45 0.00 0.00 0.00 176.54 177.16 1vsa h HIS 123 N -0.15 0.27 -1.21 5.60 -0.00 -1.66 0.69 115.15 118.69 1vsa h HIS 123 Ca 0.17 0.05 0.36 0.00 -0.00 0.00 0.00 60.37 60.95 1vsa h HIS 123 Cb 0.42 0.01 -0.11 0.00 -0.00 0.00 0.00 27.41 27.74 1vsa h HIS 123 CO -0.41 -0.17 0.79 1.57 -0.00 0.00 0.00 177.93 179.71 1vsa h LYS 124 N 0.22 0.20 0.00 2.45 5.09 0.20 -3.40 116.57 121.33 1vsa h LYS 124 Ca 0.48 -0.01 -0.41 0.00 0.09 0.00 0.00 60.65 60.80 1vsa h LYS 124 Cb 0.91 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 33.19 1vsa h LYS 124 CO -0.60 0.13 -0.12 -0.11 -2.09 0.00 0.00 179.45 176.66 1vsa n LEU 125 N -4.61 0.00 0.14 7.07 -0.00 0.24 -4.98 117.00 114.86 1vsa n LEU 125 Ca 0.31 -2.09 -0.23 0.00 -0.00 0.00 0.00 56.01 54.00 1vsa n LEU 125 Cb 1.20 -0.21 -0.16 0.00 -0.00 0.00 0.00 43.42 44.25 1vsa n LEU 125 CO 0.25 -0.61 -0.22 1.55 -0.00 0.00 0.00 177.39 178.36 1vsa h PRO 126 N 0.00 0.50 -7.60 1.96 0.13 -1.79 -3.47 132.00 121.73 1vsa h PRO 126 Ca -0.24 -0.85 -0.47 0.00 -0.87 0.00 0.00 66.00 63.57 1vsa h PRO 126 Cb 0.99 0.32 0.10 0.00 0.13 0.00 0.00 31.00 32.54 1vsa h PRO 126 CO 0.36 1.41 0.40 0.96 -0.23 0.00 0.00 178.00 180.90 1vsa s ILE 127 N -2.61 2.13 0.04 -3.56 -4.36 -1.26 -4.96 121.20 106.62 1vsa s ILE 127 Ca -0.08 0.04 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 1vsa s ILE 127 Cb 0.05 -3.03 -0.00 0.00 1.25 0.00 0.00 42.46 40.73 1vsa s ILE 127 CO 0.94 -0.05 0.01 0.29 0.24 0.00 0.00 174.94 176.36 1vsa n LYS 128 N -3.32 1.13 -3.67 0.37 5.02 -1.26 -4.35 118.16 112.08 1vsa n LYS 128 Ca 0.08 -0.30 -0.13 0.00 -2.02 0.00 0.00 58.31 55.94 1vsa n LYS 128 Cb 0.61 0.14 -0.03 0.00 -0.02 0.00 0.00 35.03 35.73 1vsa n LYS 128 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1vsa n THR 129 N -0.08 0.00 -4.09 -0.18 5.66 -1.20 -2.95 114.28 111.44 1vsa n THR 129 Ca -0.01 -1.59 -0.11 0.00 -3.05 0.00 0.00 64.05 59.30 1vsa n THR 129 Cb 0.05 0.96 -0.04 0.00 -1.55 0.00 0.00 70.33 69.75 1vsa n THR 129 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1vsa n LYS 130 N -0.50 0.28 -0.33 1.09 4.76 -1.15 -4.87 118.16 117.43 1vsa n LYS 130 Ca 0.01 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.60 1vsa n LYS 130 Cb 0.51 1.57 0.00 0.00 -1.84 0.00 0.00 35.03 35.27 1vsa n LYS 130 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1vsa n ILE 131 N -0.36 0.00 -0.48 -0.18 -5.35 -1.22 -2.31 119.36 109.46 1vsa n ILE 131 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1vsa n ILE 131 Cb 0.35 -1.58 0.00 0.00 -1.74 0.00 0.00 39.64 36.66 1vsa n ILE 131 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1vsa n VAL 132 N -1.26 0.00 0.00 7.28 3.14 -1.15 -4.40 118.33 121.93 1vsa n VAL 132 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vsa n VAL 132 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vsa n VAL 132 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1vsa n ARG 133 N 0.00 0.00 0.00 1.45 0.00 -1.26 -4.83 116.66 112.02 1vsa n ARG 133 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 133 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1vsa n ARG 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1vsa n ARG 134 N 0.00 0.00 0.00 2.89 0.00 -1.26 -4.99 116.66 113.30 1vsa n ARG 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1vsa n ARG 134 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1vsa n ASP 135 N -1.44 0.00 0.00 6.15 4.64 -1.26 -3.37 116.55 121.27 1vsa n ASP 135 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1vsa n ASP 135 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1vsa n ASP 135 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1vsa n ALA 136 N 0.00 0.00 -0.76 -1.67 0.00 -1.26 -5.05 120.51 111.78 1vsa n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 136 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16