#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa s ILE 4 N 0.00 0.01 -0.94 -0.61 2.07 -1.26 -4.89 121.20 115.57 1vsa s ILE 4 Ca 0.00 -1.12 -0.22 0.00 -1.41 0.00 0.00 60.65 57.90 1vsa s ILE 4 Cb 0.00 -1.98 -0.12 0.00 0.13 0.00 0.00 42.46 40.49 1vsa s ILE 4 CO 0.00 -0.03 1.93 0.18 -1.91 0.00 0.00 174.94 175.11 1vsa n LEU 5 N -0.39 3.86 -4.68 8.50 4.32 -1.26 -2.84 117.00 124.51 1vsa n LEU 5 Ca -0.05 -3.05 -0.45 0.00 -0.02 0.00 0.00 56.01 52.44 1vsa n LEU 5 Cb 0.61 -1.35 -0.04 0.00 -1.62 0.00 0.00 43.42 41.02 1vsa n LEU 5 CO 0.19 -0.78 1.37 0.61 -1.22 0.00 0.00 177.39 177.56 1vsa n GLY 6 N 4.95 1.43 3.42 -0.72 0.00 -1.13 -4.02 105.19 109.12 1vsa n GLY 6 Ca 0.48 0.72 -0.44 0.00 0.00 0.00 0.00 46.02 46.78 1vsa n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsa s VAL 7 N 2.28 4.94 0.14 1.61 -7.23 -1.23 -3.14 120.40 117.77 1vsa s VAL 7 Ca 0.83 -0.69 -0.34 0.00 -1.81 0.00 0.00 61.98 59.96 1vsa s VAL 7 Cb -0.60 -4.29 -0.14 0.00 0.56 0.00 0.00 36.38 31.90 1vsa s VAL 7 CO 0.40 -0.81 1.54 1.17 -0.31 0.00 0.00 175.10 177.10 1vsa n LYS 8 N 5.99 1.98 0.00 4.82 3.00 -1.16 -2.95 118.16 129.83 1vsa n LYS 8 Ca -0.08 0.71 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 1vsa n LYS 8 Cb 0.44 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 33.01 1vsa n LYS 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1vsa n VAL 9 N 3.30 0.00 0.00 3.15 0.24 -1.12 -0.49 118.33 123.41 1vsa n VAL 9 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1vsa n VAL 9 Cb 0.27 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1vsa n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1vsa n GLY 10 N 1.66 0.12 0.00 7.63 0.00 -0.16 -4.52 105.19 109.91 1vsa n GLY 10 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1vsa n GLY 10 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1vsa n MET 11 N 0.00 0.00 0.00 1.61 0.00 -1.26 0.94 117.12 118.41 1vsa n MET 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1vsa n MET 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1vsa n MET 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1vsa n THR 12 N 0.00 0.00 0.00 3.17 -2.24 -1.12 -4.95 114.28 109.14 1vsa n THR 12 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vsa n THR 12 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vsa n THR 12 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1vsa n ARG 13 N 0.00 0.00 -3.09 -0.78 1.85 -1.26 -2.80 116.66 110.57 1vsa n ARG 13 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 1vsa n ARG 13 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1vsa n ARG 13 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1vsa n ILE 14 N -1.26 0.00 0.00 8.89 -5.35 -0.69 -4.96 119.36 116.00 1vsa n ILE 14 Ca 0.00 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 1vsa n ILE 14 Cb 0.00 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1vsa n ILE 14 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vsa n PHE 15 N -0.50 0.00 0.00 4.28 3.72 -1.26 0.04 117.46 123.75 1vsa n PHE 15 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1vsa n PHE 15 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1vsa n PHE 15 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1vsa n ARG 16 N 0.00 0.00 0.00 -1.08 0.00 0.26 -3.69 116.66 112.15 1vsa n ARG 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1vsa n ARG 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1vsa n ASP 17 N 0.00 0.00 0.00 6.15 4.64 -1.26 -2.63 116.55 123.45 1vsa n ASP 17 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1vsa n ASP 17 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1vsa n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1vsa n ASP 18 N 3.80 0.00 -4.82 1.67 -0.08 -1.26 -5.13 116.55 110.73 1vsa n ASP 18 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1vsa n ASP 18 Cb 0.00 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.55 1vsa n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vsa s ARG 19 N -0.33 2.09 0.49 -0.67 1.04 -1.08 -5.03 118.95 115.46 1vsa s ARG 19 Ca 0.00 0.54 0.07 0.00 -1.04 0.00 0.00 55.73 55.30 1vsa s ARG 19 Cb 0.00 -1.93 0.01 0.00 -2.04 0.00 0.00 34.95 31.00 1vsa s ARG 19 CO 0.00 -1.60 0.40 0.00 -0.04 0.00 0.00 175.30 174.06 1vsa s ALA 20 N -3.22 4.24 -0.28 7.88 0.00 -1.26 -0.57 121.76 128.54 1vsa s ALA 20 Ca 0.61 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 1vsa s ALA 20 Cb -0.14 -0.83 0.11 0.00 0.00 0.00 0.00 23.12 22.26 1vsa s ALA 20 CO 0.53 -0.37 0.86 0.14 0.00 0.00 0.00 175.76 176.92 1vsa s VAL 21 N -2.65 0.00 0.35 0.00 -7.23 0.11 -4.81 120.40 106.17 1vsa s VAL 21 Ca 0.41 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.44 1vsa s VAL 21 Cb -0.02 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.84 1vsa s VAL 21 CO 0.25 0.00 0.76 -2.16 -0.31 0.00 0.00 175.10 173.64 1vsa s PRO 22 N 1.00 3.95 -0.01 4.82 0.04 -1.26 -1.70 135.00 141.84 1vsa s PRO 22 Ca -0.05 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 1vsa s PRO 22 Cb -0.05 -2.40 0.08 0.00 0.04 0.00 0.00 34.50 32.17 1vsa s PRO 22 CO -0.12 0.09 0.71 0.14 0.04 0.00 0.00 177.00 177.86 1vsa s VAL 23 N -2.11 0.00 0.29 -0.36 -7.23 -1.12 -4.54 120.40 105.32 1vsa s VAL 23 Ca 0.54 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.74 1vsa s VAL 23 Cb -0.10 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 1vsa s VAL 23 CO 0.21 0.00 0.45 0.28 -0.31 0.00 0.00 175.10 175.73 1vsa s THR 24 N -1.88 5.00 -0.01 5.32 -1.32 -0.55 -2.78 115.64 119.42 1vsa s THR 24 Ca -0.06 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1vsa s THR 24 Cb -0.00 -3.78 0.01 0.00 -1.51 0.00 0.00 72.50 67.21 1vsa s THR 24 CO 0.03 -0.38 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.36 1vsa s VAL 25 N -2.13 0.12 0.20 5.08 1.01 0.27 -2.82 120.40 122.13 1vsa s VAL 25 Ca 0.38 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1vsa s VAL 25 Cb -0.09 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1vsa s VAL 25 CO 0.32 0.08 0.48 -0.63 0.00 0.00 0.00 175.10 175.34 1vsa s ILE 26 N 0.41 0.03 -0.01 2.22 -1.09 -0.73 -0.99 121.20 121.04 1vsa s ILE 26 Ca -0.04 -1.05 0.02 0.00 -2.23 0.00 0.00 60.65 57.35 1vsa s ILE 26 Cb -0.06 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 1vsa s ILE 26 CO -0.01 -0.12 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.33 1vsa s LEU 27 N -2.93 3.36 0.48 2.97 0.20 -1.15 -0.79 118.68 120.82 1vsa s LEU 27 Ca 0.14 -0.05 -0.23 0.00 0.69 0.00 0.00 54.13 54.68 1vsa s LEU 27 Cb -0.00 -1.90 -0.08 0.00 -0.43 0.00 0.00 46.19 43.78 1vsa s LEU 27 CO 0.01 0.30 1.18 0.00 -0.29 0.00 0.00 176.35 177.55 1vsa n ALA 28 N 1.58 0.94 -3.45 5.97 0.00 1.02 -3.47 120.51 123.10 1vsa n ALA 28 Ca -0.15 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 1vsa n ALA 28 Cb 0.53 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 1vsa n ALA 28 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1vsa s GLY 29 N -0.79 2.16 -0.65 0.00 0.00 -1.26 -4.71 107.32 102.07 1vsa s GLY 29 Ca 0.67 -2.67 -0.26 0.00 0.00 0.00 0.00 44.72 42.45 1vsa s GLY 29 CO 0.54 1.16 2.09 -4.14 0.00 0.00 0.00 173.10 172.75 1vsa s PRO 30 N 1.22 2.34 -0.28 2.90 0.02 -1.24 -3.71 135.00 136.25 1vsa s PRO 30 Ca 0.07 0.67 -0.02 0.00 0.02 0.00 0.00 61.00 61.74 1vsa s PRO 30 Cb -0.25 -4.61 0.12 0.00 0.02 0.00 0.00 34.50 29.78 1vsa s PRO 30 CO -0.01 -3.20 0.23 0.00 -0.33 0.00 0.00 177.00 173.70 1vsa s PRO 32 N 2.27 1.86 0.61 0.00 0.02 -1.24 -1.93 135.00 136.60 1vsa s PRO 32 Ca 0.09 1.37 -0.04 0.00 0.02 0.00 0.00 61.00 62.44 1vsa s PRO 32 Cb -0.15 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.57 1vsa s PRO 32 CO -0.33 -1.97 0.90 0.54 -0.33 0.00 0.00 177.00 175.81 1vsa s VAL 33 N -2.69 2.97 -0.06 3.83 0.11 -1.26 -2.42 120.40 120.88 1vsa s VAL 33 Ca 0.65 -0.27 0.10 0.00 -2.93 0.00 0.00 61.98 59.52 1vsa s VAL 33 Cb -0.20 -3.20 0.19 0.00 -1.53 0.00 0.00 36.38 31.64 1vsa s VAL 33 CO 0.54 -0.19 1.12 1.33 -3.33 0.00 0.00 175.10 174.58 1vsa n VAL 34 N -2.63 0.07 0.00 2.04 0.24 0.20 -4.93 118.33 113.33 1vsa n VAL 34 Ca 0.06 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1vsa n VAL 34 Cb 0.59 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1vsa n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1vsa n GLN 35 N -0.11 0.00 -3.23 7.34 0.00 -1.26 -4.94 117.38 115.19 1vsa n GLN 35 Ca -0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.66 1vsa n GLN 35 Cb 0.84 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 31.02 1vsa n GLN 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1vsa s ARG 36 N -1.94 0.86 0.63 3.69 0.52 -1.26 -2.91 118.95 118.54 1vsa s ARG 36 Ca 0.00 -1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 53.63 1vsa s ARG 36 Cb 0.00 -0.87 -0.10 0.00 0.52 0.00 0.00 34.95 34.50 1vsa s ARG 36 CO 0.00 -1.31 -0.53 0.54 0.02 0.00 0.00 175.30 174.01 1vsa n ARG 37 N 3.30 0.00 -3.64 3.54 5.12 -0.30 -4.77 116.66 119.91 1vsa n ARG 37 Ca 0.21 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.09 1vsa n ARG 37 Cb 0.49 -0.63 -0.07 0.00 -1.16 0.00 0.00 32.46 31.09 1vsa n ARG 37 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1vsa s THR 38 N -1.26 0.00 -0.47 0.55 2.01 -0.91 -2.53 115.64 113.04 1vsa s THR 38 Ca 0.25 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1vsa s THR 38 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1vsa s THR 38 CO 0.52 0.00 0.59 -0.81 -0.69 0.00 0.00 174.62 174.22 1vsa n PRO 39 N 2.64 0.00 0.00 4.92 -0.04 -1.18 -0.38 135.00 140.96 1vsa n PRO 39 Ca -0.14 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1vsa n PRO 39 Cb 0.57 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1vsa n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1vsa n GLU 40 N -1.09 0.00 -0.12 0.54 1.02 -1.26 -4.63 120.64 115.10 1vsa n GLU 40 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1vsa n GLU 40 Cb 0.24 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 1vsa n GLU 40 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1vsa h LYS 41 N 0.00 -0.09 0.00 3.49 2.10 -1.96 -3.41 116.57 116.70 1vsa h LYS 41 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1vsa h LYS 41 Cb 0.00 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1vsa h LYS 41 CO 0.00 -0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.14 1vsa n ASP 42 N -3.95 0.00 0.00 7.07 8.00 -0.36 -4.97 116.55 122.34 1vsa n ASP 42 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1vsa n ASP 42 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1vsa n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsa n GLY 43 N 5.00 0.83 0.00 0.44 0.00 0.48 -4.58 105.19 107.37 1vsa n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vsa n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1vsa n TYR 44 N 0.00 0.00 -1.35 1.61 4.11 -1.18 -3.38 117.16 116.97 1vsa n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1vsa n TYR 44 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.63 1vsa n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1vsa n THR 45 N 0.00 0.00 -1.23 -3.48 -1.04 -1.05 -2.14 114.28 105.34 1vsa n THR 45 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1vsa n THR 45 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1vsa n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vsa n ALA 46 N 0.00 -3.21 -2.01 2.41 0.00 -1.21 -3.92 120.51 112.57 1vsa n ALA 46 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1vsa n ALA 46 Cb 0.19 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.35 1vsa n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vsa s VAL 47 N -1.99 2.01 -0.29 0.00 1.01 -1.25 -1.15 120.40 118.73 1vsa s VAL 47 Ca 0.56 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1vsa s VAL 47 Cb -0.47 -2.27 0.19 0.00 0.00 0.00 0.00 36.38 33.84 1vsa s VAL 47 CO 0.67 0.00 0.73 -1.10 0.00 0.00 0.00 175.10 175.40 1vsa s GLN 48 N -5.04 0.43 0.24 2.72 -0.21 -1.13 -3.85 119.66 112.83 1vsa s GLN 48 Ca 0.67 0.46 0.11 0.00 0.02 0.00 0.00 55.36 56.61 1vsa s GLN 48 Cb -0.04 0.22 -0.05 0.00 1.00 0.00 0.00 33.01 34.13 1vsa s GLN 48 CO 0.44 -0.78 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.12 1vsa s LEU 49 N 2.87 2.54 0.05 2.90 2.01 -1.02 0.59 118.68 128.62 1vsa s LEU 49 Ca 0.15 -0.98 -0.15 0.00 0.01 0.00 0.00 54.13 53.16 1vsa s LEU 49 Cb -0.08 -0.99 0.02 0.00 0.01 0.00 0.00 46.19 45.15 1vsa s LEU 49 CO -0.24 -0.00 0.32 -0.83 1.01 0.00 0.00 176.35 176.61 1vsa s GLY 50 N -3.25 -0.15 0.00 -3.19 0.00 -1.02 -2.68 107.32 97.04 1vsa s GLY 50 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1vsa s GLY 50 CO 0.12 -0.17 0.00 0.33 0.00 0.00 0.00 173.10 173.38 1vsa n PHE 51 N 0.54 0.00 -2.03 1.90 -0.00 -0.94 -3.70 117.46 113.23 1vsa n PHE 51 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 1vsa n PHE 51 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.08 1vsa n PHE 51 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1vsa n LEU 52 N 0.00 0.00 -4.03 -2.13 4.32 -1.26 -2.85 117.00 111.05 1vsa n LEU 52 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1vsa n LEU 52 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1vsa n LEU 52 CO 0.00 0.00 1.10 -2.65 -1.22 0.00 0.00 177.39 174.62 1vsa n PRO 53 N -0.57 0.03 -0.97 3.23 -0.02 -1.26 0.60 135.00 136.03 1vsa n PRO 53 Ca 0.00 -0.92 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 1vsa n PRO 53 Cb 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1vsa n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsa n GLN 54 N 6.76 0.00 -0.01 -0.52 10.64 -1.23 -4.93 117.38 128.09 1vsa n GLN 54 Ca 0.30 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.47 1vsa n GLN 54 Cb 0.42 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.80 1vsa n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1vsa n ASN 55 N -1.34 -0.02 -3.38 2.61 5.03 -1.26 -3.92 115.26 112.99 1vsa n ASN 55 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1vsa n ASN 55 Cb 0.00 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.72 1vsa n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1vsa n PRO 56 N -0.00 0.00 -2.96 3.52 -0.02 -1.26 -3.84 135.00 130.44 1vsa n PRO 56 Ca 0.00 -0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 60.94 1vsa n PRO 56 Cb 0.00 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1vsa n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1vsa n LYS 57 N 5.19 -1.94 -0.72 -0.52 3.00 -1.26 -5.00 118.16 116.90 1vsa n LYS 57 Ca 0.14 1.85 -0.00 0.00 -0.00 0.00 0.00 58.31 60.29 1vsa n LYS 57 Cb 0.16 -5.63 -0.01 0.00 0.00 0.00 0.00 35.03 29.55 1vsa n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vsa n ARG 58 N -0.92 0.00 -0.08 1.64 1.74 -1.25 -5.00 116.66 112.79 1vsa n ARG 58 Ca 0.06 -0.79 -0.05 0.00 -0.77 0.00 0.00 57.85 56.31 1vsa n ARG 58 Cb 0.48 -0.09 -0.04 0.00 -1.02 0.00 0.00 32.46 31.79 1vsa n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1vsa h VAL 59 N 5.98 0.00 0.00 1.55 3.04 -1.92 -3.49 116.25 121.42 1vsa h VAL 59 Ca -0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1vsa h VAL 59 Cb 1.33 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1vsa h VAL 59 CO -0.03 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.12 1vsa n ASN 60 N -3.71 0.00 0.00 3.17 5.03 -1.26 -4.92 115.26 113.57 1vsa n ASN 60 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1vsa n ASN 60 Cb 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1vsa n ASN 60 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1vsa n ARG 61 N 0.44 0.00 -2.38 3.52 1.85 -1.26 -2.82 116.66 116.00 1vsa n ARG 61 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 1vsa n ARG 61 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1vsa n ARG 61 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1vsa s PRO 62 N 0.00 3.30 0.05 2.89 0.04 -1.26 -4.72 135.00 135.29 1vsa s PRO 62 Ca 0.00 -1.11 0.16 0.00 0.04 0.00 0.00 61.00 60.09 1vsa s PRO 62 Cb 0.00 -5.31 -0.15 0.00 0.04 0.00 0.00 34.50 29.08 1vsa s PRO 62 CO 0.00 -2.71 0.82 1.25 0.04 0.00 0.00 177.00 176.40 1vsa h LEU 63 N 14.54 0.00 0.00 -3.56 6.46 -1.88 -3.47 115.31 127.40 1vsa h LEU 63 Ca 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1vsa h LEU 63 Cb 0.97 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1vsa h LEU 63 CO 1.36 0.67 0.00 0.29 -0.62 0.00 0.00 178.44 180.14 1vsa n LYS 64 N -2.94 -1.33 -0.70 1.25 5.02 -1.26 -4.62 118.16 113.58 1vsa n LYS 64 Ca -0.11 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 1vsa n LYS 64 Cb 0.88 -2.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.10 1vsa n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vsa n GLY 65 N 0.25 2.55 3.16 0.72 0.00 -1.26 -4.73 105.19 105.89 1vsa n GLY 65 Ca 0.00 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1vsa n GLY 65 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vsa s HIS 66 N 2.06 3.50 0.00 1.61 -3.43 -1.26 -4.87 115.29 112.91 1vsa s HIS 66 Ca 0.44 -2.19 0.00 0.00 -0.80 0.00 0.00 55.06 52.50 1vsa s HIS 66 Cb 0.18 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 1vsa s HIS 66 CO -0.01 -0.97 0.00 1.19 -2.00 0.00 0.00 174.74 172.95 1vsa n PHE 67 N 4.60 0.00 -0.28 0.38 0.99 -1.26 -4.98 117.46 116.91 1vsa n PHE 67 Ca -0.03 0.00 0.29 0.00 -0.00 0.00 0.00 57.45 57.71 1vsa n PHE 67 Cb 0.41 0.00 0.44 0.00 -1.00 0.00 0.00 39.48 39.33 1vsa n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vsa n ALA 68 N -0.34 1.02 -3.01 4.37 0.00 -1.26 -3.03 120.51 118.26 1vsa n ALA 68 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 1vsa n ALA 68 Cb 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1vsa n ALA 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vsa s LYS 69 N -4.20 2.80 0.00 0.00 1.02 -1.26 -4.95 119.74 113.15 1vsa s LYS 69 Ca -0.03 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1vsa s LYS 69 Cb 0.14 -3.92 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1vsa s LYS 69 CO 0.48 -0.93 0.00 0.00 -0.92 0.00 0.00 175.35 173.98 1vsa n ALA 70 N 5.05 0.92 -3.37 5.17 0.00 -1.17 -4.84 120.51 122.26 1vsa n ALA 70 Ca -0.11 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1vsa n ALA 70 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.95 1vsa n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 71 N 2.75 -1.12 1.28 0.00 0.00 -1.26 -2.47 105.19 104.37 1vsa n GLY 71 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1vsa n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vsa n VAL 72 N -3.47 0.00 -0.09 1.61 0.31 -1.26 -4.17 118.33 111.25 1vsa n VAL 72 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1vsa n VAL 72 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 1vsa n VAL 72 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vsa n GLU 73 N -1.26 -0.25 -2.71 5.55 -0.58 -1.03 -4.46 120.64 115.90 1vsa n GLU 73 Ca 0.00 0.18 -0.43 0.00 -0.42 0.00 0.00 57.16 56.50 1vsa n GLU 73 Cb 0.14 -0.20 -0.03 0.00 -0.57 0.00 0.00 31.44 30.77 1vsa n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1vsa s PRO 74 N -4.32 3.55 0.42 3.49 0.04 -1.26 -3.48 135.00 133.45 1vsa s PRO 74 Ca 0.00 0.23 0.18 0.00 0.04 0.00 0.00 61.00 61.45 1vsa s PRO 74 Cb 0.00 -3.96 1.09 0.00 0.04 0.00 0.00 34.50 31.68 1vsa s PRO 74 CO 0.00 -1.41 1.86 0.28 0.04 0.00 0.00 177.00 177.78 1vsa h VAL 75 N 6.14 0.69 0.00 -0.36 2.07 0.31 -3.11 116.25 121.98 1vsa h VAL 75 Ca -0.24 -0.13 -0.22 0.00 0.82 0.00 0.00 66.70 66.92 1vsa h VAL 75 Cb 1.07 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1vsa h VAL 75 CO 1.10 0.07 1.16 -1.14 0.02 0.00 0.00 177.57 178.78 1vsa n ARG 76 N -4.50 1.49 0.00 1.57 0.63 -1.20 -4.80 116.66 109.85 1vsa n ARG 76 Ca 0.19 -0.93 0.00 0.00 -0.92 0.00 0.00 57.85 56.18 1vsa n ARG 76 Cb 0.69 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1vsa n ARG 76 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1vsa n ILE 77 N 3.41 0.00 -2.98 5.15 5.41 -1.18 -2.22 119.36 126.95 1vsa n ILE 77 Ca 0.32 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.67 1vsa n ILE 77 Cb 0.33 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.21 1vsa n ILE 77 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1vsa s LEU 78 N 0.00 4.29 0.01 1.39 1.43 -1.26 -3.74 118.68 120.82 1vsa s LEU 78 Ca 0.00 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.38 1vsa s LEU 78 Cb 0.00 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 1vsa s LEU 78 CO 0.00 -0.19 -0.13 -0.13 0.23 0.00 0.00 176.35 176.13 1vsa s ARG 79 N 1.10 0.99 -0.42 1.70 3.00 -1.09 -4.92 118.95 119.31 1vsa s ARG 79 Ca 0.39 -0.61 -0.04 0.00 0.00 0.00 0.00 55.73 55.47 1vsa s ARG 79 Cb -0.18 -0.97 0.11 0.00 0.00 0.00 0.00 34.95 33.91 1vsa s ARG 79 CO 0.18 0.25 0.22 -1.21 0.00 0.00 0.00 175.30 174.75 1vsa s GLU 80 N -0.73 2.15 -1.08 3.54 2.02 -1.25 -2.43 118.70 120.93 1vsa s GLU 80 Ca 0.03 -1.76 -0.22 0.00 0.02 0.00 0.00 54.97 53.04 1vsa s GLU 80 Cb -0.06 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 1vsa s GLU 80 CO 0.00 -1.06 1.78 0.42 0.02 0.00 0.00 175.26 176.42 1vsa s ILE 81 N 1.21 3.73 0.00 -1.63 1.09 -1.26 -4.76 121.20 119.58 1vsa s ILE 81 Ca 0.07 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 1vsa s ILE 81 Cb -0.23 -4.65 0.00 0.00 -1.06 0.00 0.00 42.46 36.51 1vsa s ILE 81 CO -0.03 -1.43 0.00 -1.14 -0.10 0.00 0.00 174.94 172.24 1vsa n ARG 82 N 8.63 0.00 -3.76 2.79 3.00 -1.26 -2.84 116.66 123.22 1vsa n ARG 82 Ca 0.41 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.97 1vsa n ARG 82 Cb 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.78 1vsa n ARG 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1vsa s ASP 83 N 0.00 3.60 -0.42 6.15 1.01 -1.26 -3.33 116.67 122.42 1vsa s ASP 83 Ca 0.00 -1.27 0.06 0.00 0.71 0.00 0.00 52.55 52.05 1vsa s ASP 83 Cb 0.00 -0.81 0.21 0.00 1.01 0.00 0.00 42.92 43.33 1vsa s ASP 83 CO 0.00 -0.35 0.50 0.33 0.21 0.00 0.00 175.17 175.86 1vsa n PHE 84 N 4.90 -1.21 -3.19 4.23 -0.00 -1.13 -5.02 117.46 116.03 1vsa n PHE 84 Ca -0.06 -3.08 -0.45 0.00 -0.00 0.00 0.00 57.45 53.86 1vsa n PHE 84 Cb 0.44 0.26 -0.04 0.00 -0.00 0.00 0.00 39.48 40.14 1vsa n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1vsa s ASN 85 N -0.50 6.27 0.00 -2.13 3.84 -1.26 -4.78 114.94 116.38 1vsa s ASN 85 Ca 0.33 -1.72 0.00 0.00 0.21 0.00 0.00 52.86 51.68 1vsa s ASN 85 Cb 0.10 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 1vsa s ASN 85 CO -0.15 -0.97 0.00 -0.81 -2.79 0.00 0.00 177.10 172.38 1vsa n PRO 86 N 5.73 3.93 0.05 0.43 -0.04 -1.26 -4.99 135.00 138.85 1vsa n PRO 86 Ca -0.07 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1vsa n PRO 86 Cb 0.42 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 34.38 1vsa n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1vsa n GLU 87 N 0.00 0.12 -1.75 0.54 0.28 -1.26 -5.01 120.64 113.56 1vsa n GLU 87 Ca 0.00 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1vsa n GLU 87 Cb 0.00 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.22 1vsa n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vsa n GLY 88 N 1.12 -4.85 0.00 -1.84 0.00 -1.26 -5.09 105.19 93.27 1vsa n GLY 88 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1vsa n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vsa n ASP 89 N 1.26 0.00 -0.67 1.61 2.03 -1.26 -5.02 116.55 114.50 1vsa n ASP 89 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1vsa n ASP 89 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1vsa n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1vsa n THR 90 N 0.00 0.00 -4.37 5.18 -1.04 -1.26 -4.91 114.28 107.88 1vsa n THR 90 Ca 0.00 0.21 -0.26 0.00 -2.04 0.00 0.00 64.05 61.96 1vsa n THR 90 Cb 0.00 -0.44 -0.10 0.00 -1.82 0.00 0.00 70.33 67.97 1vsa n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1vsa s VAL 91 N -2.52 2.81 -0.09 12.58 1.01 -0.81 -4.71 120.40 128.67 1vsa s VAL 91 Ca 0.00 -1.94 -0.31 0.00 0.00 0.00 0.00 61.98 59.72 1vsa s VAL 91 Cb 0.00 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 34.09 1vsa s VAL 91 CO 0.00 -0.19 1.02 0.42 0.00 0.00 0.00 175.10 176.35 1vsa s THR 92 N -1.90 0.00 0.26 3.92 -4.23 -1.24 -2.94 115.64 109.50 1vsa s THR 92 Ca 0.25 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 1vsa s THR 92 Cb -0.08 -1.00 0.26 0.00 1.34 0.00 0.00 72.50 73.02 1vsa s THR 92 CO 0.14 0.00 1.68 -0.37 -0.54 0.00 0.00 174.62 175.53 1vsa h VAL 93 N 2.03 0.48 -0.82 2.29 -1.51 -1.89 0.72 116.25 117.56 1vsa h VAL 93 Ca -0.17 -0.10 0.24 0.00 -1.23 0.00 0.00 66.70 65.44 1vsa h VAL 93 Cb 1.21 0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 30.50 1vsa h VAL 93 CO 0.28 0.05 0.70 -0.33 -1.23 0.00 0.00 177.57 177.04 1vsa h GLU 94 N 0.28 0.00 -1.23 5.19 3.07 -1.97 0.46 114.58 120.39 1vsa h GLU 94 Ca 0.46 0.00 0.46 0.00 -0.50 0.00 0.00 59.36 59.77 1vsa h GLU 94 Cb 0.81 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.57 1vsa h GLU 94 CO -0.54 0.00 0.74 0.82 -1.40 0.00 0.00 179.01 178.64 1vsa h ILE 95 N 0.00 0.00 -3.99 3.13 2.04 -1.26 -3.37 117.51 114.07 1vsa h ILE 95 Ca 0.39 -0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.87 1vsa h ILE 95 Cb 1.78 0.00 -0.29 0.00 -0.74 0.00 0.00 36.82 37.57 1vsa h ILE 95 CO -0.00 0.00 -0.77 -0.36 0.00 0.00 0.00 178.15 177.01 1vsa s PHE 96 N -5.37 0.73 0.19 1.37 0.08 0.16 -5.11 117.98 110.02 1vsa s PHE 96 Ca -0.08 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 56.88 1vsa s PHE 96 Cb 0.32 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 42.27 1vsa s PHE 96 CO 0.81 -0.02 0.22 0.15 -0.10 0.00 0.00 175.22 176.28 1vsa s LYS 97 N -0.16 3.11 0.45 0.44 1.02 -1.26 -4.89 119.74 118.45 1vsa s LYS 97 Ca 0.03 -0.83 -0.22 0.00 0.02 0.00 0.00 55.97 54.96 1vsa s LYS 97 Cb -0.03 -2.74 -0.11 0.00 -0.52 0.00 0.00 37.83 34.43 1vsa s LYS 97 CO -0.00 0.47 0.75 -2.30 -0.92 0.00 0.00 175.35 173.35 1vsa n PRO 98 N -0.74 0.88 0.00 -1.68 -0.02 -1.26 -2.46 135.00 129.72 1vsa n PRO 98 Ca -0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1vsa n PRO 98 Cb 0.56 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1vsa n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vsa n GLY 99 N 1.52 2.54 3.49 -1.23 0.00 -0.73 -4.83 105.19 105.95 1vsa n GLY 99 Ca 0.11 -0.57 -0.53 0.00 0.00 0.00 0.00 46.02 45.03 1vsa n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsa n GLU 100 N 0.00 0.28 -4.11 1.61 1.02 -1.03 -3.82 120.64 114.59 1vsa n GLU 100 Ca 0.00 0.10 -0.35 0.00 -0.02 0.00 0.00 57.16 56.88 1vsa n GLU 100 Cb 0.00 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1vsa n GLU 100 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1vsa s ARG 101 N -0.40 3.40 0.13 3.49 3.52 -1.26 -2.60 118.95 125.24 1vsa s ARG 101 Ca 0.78 -0.30 -0.13 0.00 -0.13 0.00 0.00 55.73 55.95 1vsa s ARG 101 Cb -1.06 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 29.31 1vsa s ARG 101 CO 0.55 0.62 0.34 0.14 -0.81 0.00 0.00 175.30 176.15 1vsa s VAL 102 N -0.60 0.08 0.67 7.11 -7.23 -1.14 -2.83 120.40 116.45 1vsa s VAL 102 Ca 0.11 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1vsa s VAL 102 Cb -0.12 -1.40 0.07 0.00 0.56 0.00 0.00 36.38 35.49 1vsa s VAL 102 CO 0.02 -0.37 0.94 -1.81 -0.31 0.00 0.00 175.10 173.58 1vsa s ASP 103 N -2.86 4.84 0.20 4.85 1.11 -1.26 -1.41 116.67 122.14 1vsa s ASP 103 Ca 0.07 0.18 -0.22 0.00 0.18 0.00 0.00 52.55 52.76 1vsa s ASP 103 Cb 0.02 -0.85 0.05 0.00 1.07 0.00 0.00 42.92 43.21 1vsa s ASP 103 CO -0.08 -1.53 0.64 -0.69 1.18 0.00 0.00 175.17 174.70 1vsa s VAL 104 N -3.10 0.00 0.00 -1.27 1.01 0.14 -2.51 120.40 114.68 1vsa s VAL 104 Ca 0.61 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1vsa s VAL 104 Cb -0.10 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1vsa s VAL 104 CO 0.43 0.00 0.00 0.41 0.00 0.00 0.00 175.10 175.94 1vsa n THR 105 N -0.41 0.00 0.00 3.92 -1.04 -0.16 -0.30 114.28 116.29 1vsa n THR 105 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1vsa n THR 105 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1vsa n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vsa n GLY 106 N 0.52 -0.36 2.75 3.41 0.00 -1.15 -3.12 105.19 107.24 1vsa n GLY 106 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1vsa n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vsa s THR 107 N -4.00 0.10 0.00 2.61 2.01 -1.25 -3.08 115.64 112.03 1vsa s THR 107 Ca 0.00 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1vsa s THR 107 Cb 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1vsa s THR 107 CO 0.00 0.18 0.00 -1.54 -0.69 0.00 0.00 174.62 172.57 1vsa n SER 108 N 4.77 -0.12 -4.16 3.53 3.41 -1.17 -2.88 113.62 117.00 1vsa n SER 108 Ca -0.14 -0.09 -0.22 0.00 -0.26 0.00 0.00 58.87 58.16 1vsa n SER 108 Cb 0.50 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 1vsa n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1vsa s LYS 109 N -0.45 1.10 0.42 4.33 1.02 -1.26 -3.49 119.74 121.40 1vsa s LYS 109 Ca 0.00 -0.74 -0.22 0.00 0.02 0.00 0.00 55.97 55.02 1vsa s LYS 109 Cb 0.00 -1.13 -0.10 0.00 -0.52 0.00 0.00 37.83 36.08 1vsa s LYS 109 CO 0.00 0.29 0.97 0.20 -0.92 0.00 0.00 175.35 175.89 1vsa s GLY 110 N -0.95 2.52 -0.47 -3.33 0.00 -1.26 -3.04 107.32 100.79 1vsa s GLY 110 Ca 0.04 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.31 1vsa s GLY 110 CO 0.01 0.82 0.58 0.50 0.00 0.00 0.00 173.10 175.01 1vsa s ARG 111 N -2.91 0.99 0.00 2.90 0.52 0.30 -4.86 118.95 115.90 1vsa s ARG 111 Ca 0.60 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1vsa s ARG 111 Cb -0.13 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.78 1vsa s ARG 111 CO 0.18 -1.34 0.00 0.41 0.02 0.00 0.00 175.30 174.56 1vsa n GLY 112 N 2.98 0.00 3.48 -3.53 0.00 -1.26 -4.30 105.19 102.56 1vsa n GLY 112 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1vsa n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vsa s PHE 113 N 0.00 3.10 0.25 1.61 5.99 -1.25 -2.88 117.98 124.81 1vsa s PHE 113 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 56.93 56.61 1vsa s PHE 113 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 43.02 40.79 1vsa s PHE 113 CO 0.00 -0.25 0.04 0.00 -0.00 0.00 0.00 175.22 175.01 1vsa s ALA 114 N 1.28 1.86 0.49 11.12 0.00 -1.10 -4.93 121.76 130.47 1vsa s ALA 114 Ca 0.05 -1.84 0.06 0.00 0.00 0.00 0.00 51.96 50.23 1vsa s ALA 114 Cb -0.15 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.69 1vsa s ALA 114 CO 0.03 -0.32 0.67 0.20 0.00 0.00 0.00 175.76 176.33 1vsa s GLY 115 N -3.33 1.88 0.00 0.00 0.00 -1.26 -3.03 107.32 101.58 1vsa s GLY 115 Ca 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1vsa s GLY 115 CO 0.11 -1.38 0.00 1.55 0.00 0.00 0.00 173.10 173.38 1vsa n VAL 116 N -2.07 0.00 0.00 1.40 3.14 -1.26 0.28 118.33 119.81 1vsa n VAL 116 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1vsa n VAL 116 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 1vsa n VAL 116 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1vsa n MET 117 N -1.06 0.00 -0.04 1.45 0.00 -1.26 -3.43 117.12 112.78 1vsa n MET 117 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.62 1vsa n MET 117 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 33.22 30.95 1vsa n MET 117 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1vsa n LYS 118 N -0.33 0.27 0.00 2.12 4.76 -1.06 -3.79 118.16 120.13 1vsa n LYS 118 Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1vsa n LYS 118 Cb 0.00 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1vsa n LYS 118 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1vsa n ARG 119 N -3.83 0.00 0.00 1.97 0.00 0.14 -4.41 116.66 110.54 1vsa n ARG 119 Ca -0.14 0.07 0.10 0.00 -0.00 0.00 0.00 57.85 57.88 1vsa n ARG 119 Cb 0.42 -0.98 -0.10 0.00 0.00 0.00 0.00 32.46 31.80 1vsa n ARG 119 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1vsa n TRP 120 N -0.55 0.02 -0.92 -0.14 7.02 -1.26 -4.96 117.44 116.64 1vsa n TRP 120 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1vsa n TRP 120 Cb 0.00 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 1vsa n TRP 120 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1vsa n ASN 121 N -1.64 -1.23 0.00 -0.99 5.15 -1.25 -4.72 115.26 110.57 1vsa n ASN 121 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1vsa n ASN 121 Cb 0.37 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 1vsa n ASN 121 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1vsa n PHE 122 N 0.38 0.00 -1.84 1.20 3.01 -1.26 -4.40 117.46 114.56 1vsa n PHE 122 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 1vsa n PHE 122 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1vsa n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vsa n ALA 123 N -3.00 1.95 -0.19 4.37 0.00 -1.26 -4.80 120.51 117.58 1vsa n ALA 123 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1vsa n ALA 123 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1vsa n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 124 N -0.12 2.25 0.00 0.00 0.00 -1.26 -4.87 105.19 101.19 1vsa n GLY 124 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1vsa n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 125 N 0.00 1.33 3.47 -0.02 0.00 -1.16 -4.70 105.19 104.11 1vsa n GLY 125 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1vsa n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vsa s PRO 126 N 1.20 3.15 0.25 1.61 0.04 -1.26 -4.94 135.00 135.05 1vsa s PRO 126 Ca 0.00 -0.78 0.18 0.00 0.04 0.00 0.00 61.00 60.44 1vsa s PRO 126 Cb 0.00 -4.27 0.83 0.00 0.04 0.00 0.00 34.50 31.10 1vsa s PRO 126 CO 0.00 -1.88 0.86 -0.25 0.04 0.00 0.00 177.00 175.78 1vsa n ASP 127 N 7.95 0.11 -3.64 6.66 9.92 -1.26 -4.26 116.55 132.03 1vsa n ASP 127 Ca -0.01 0.76 0.02 0.00 -0.53 0.00 0.00 54.79 55.03 1vsa n ASP 127 Cb 0.46 -0.37 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 1vsa n ASP 127 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1vsa s SER 128 N -4.40 -0.08 0.00 -2.24 0.15 -1.26 -5.10 113.70 100.76 1vsa s SER 128 Ca -0.04 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1vsa s SER 128 Cb 0.17 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1vsa s SER 128 CO 0.45 -0.02 0.00 1.41 1.20 0.00 0.00 173.24 176.28 1vsa n HIS 129 N 3.14 0.00 0.00 3.44 8.25 -1.26 -5.14 115.22 123.65 1vsa n HIS 129 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1vsa n HIS 129 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1vsa n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vsa n GLY 130 N 0.00 -0.33 0.00 -1.41 0.00 -1.26 -4.98 105.19 97.22 1vsa n GLY 130 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1vsa n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 131 N -3.00 0.00 0.00 4.61 0.00 -1.26 -5.11 120.51 115.75 1vsa n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1vsa n HIS 132 N 0.00 0.00 -0.01 0.00 -0.00 -1.26 -5.07 115.22 108.87 1vsa n HIS 132 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1vsa n HIS 132 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1vsa n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vsa n LYS 133 N -1.13 0.00 0.00 1.57 5.02 -1.26 -5.01 118.16 117.35 1vsa n LYS 133 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1vsa n LYS 133 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1vsa n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1vsa n ILE 134 N -2.01 0.00 1.04 -0.18 -6.64 -1.26 -5.02 119.36 105.29 1vsa n ILE 134 Ca 0.00 0.00 0.13 0.00 -1.77 0.00 0.00 62.75 61.11 1vsa n ILE 134 Cb 0.00 0.00 0.46 0.00 -1.44 0.00 0.00 39.64 38.66 1vsa n ILE 134 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1vsa n HIS 135 N 0.00 0.00 -3.47 4.28 -0.00 -1.26 -4.54 115.22 110.23 1vsa n HIS 135 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 1vsa n HIS 135 Cb 0.00 -0.36 -0.12 0.00 -0.00 0.00 0.00 29.99 29.51 1vsa n HIS 135 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1vsa s ARG 136 N -2.94 0.23 -0.26 -0.41 0.52 -1.26 -3.01 118.95 111.81 1vsa s ARG 136 Ca 0.14 0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 55.38 1vsa s ARG 136 Cb 0.18 -0.90 0.17 0.00 0.52 0.00 0.00 34.95 34.93 1vsa s ARG 136 CO 0.60 -0.61 1.31 -1.58 0.02 0.00 0.00 175.30 175.03 1vsa s HIS 137 N 2.39 -0.08 -0.05 -0.53 2.46 -1.26 -5.06 115.29 113.16 1vsa s HIS 137 Ca 0.08 0.11 0.08 0.00 0.47 0.00 0.00 55.06 55.80 1vsa s HIS 137 Cb -0.15 0.49 -0.24 0.00 -0.13 0.00 0.00 32.58 32.55 1vsa s HIS 137 CO -0.13 -0.08 0.62 -1.00 -2.47 0.00 0.00 174.74 171.69 1vsa h PRO 138 N 2.09 0.06 0.00 2.88 0.13 -1.99 -3.48 132.00 131.69 1vsa h PRO 138 Ca -0.08 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1vsa h PRO 138 Cb 1.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1vsa h PRO 138 CO 0.22 0.67 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 1vsa n GLY 139 N 1.64 0.33 3.13 1.56 0.00 -1.26 -3.90 105.19 106.70 1vsa n GLY 139 Ca -0.20 0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 1vsa n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vsa s SER 140 N -4.00 4.96 -0.10 1.61 0.15 -1.26 -4.89 113.70 110.16 1vsa s SER 140 Ca 0.00 -1.62 0.16 0.00 0.70 0.00 0.00 55.95 55.20 1vsa s SER 140 Cb 0.00 -1.73 0.60 0.00 -1.71 0.00 0.00 66.02 63.19 1vsa s SER 140 CO 0.00 -0.35 1.52 2.30 1.20 0.00 0.00 173.24 177.90 1vsa n ILE 141 N 4.55 1.75 -3.93 6.45 -0.00 -1.25 -4.99 119.36 121.95 1vsa n ILE 141 Ca -0.08 -1.29 -0.09 0.00 -0.00 0.00 0.00 62.75 61.29 1vsa n ILE 141 Cb 0.42 0.13 -0.07 0.00 -0.00 0.00 0.00 39.64 40.13 1vsa n ILE 141 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1vsa s GLY 142 N -1.12 0.40 0.00 3.28 0.00 -1.26 -5.01 107.32 103.60 1vsa s GLY 142 Ca 0.44 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1vsa s GLY 142 CO 0.20 -0.80 0.00 0.70 0.00 0.00 0.00 173.10 173.20 1vsa n ASN 143 N -0.20 0.00 0.00 1.64 4.13 -1.26 -5.09 115.26 114.47 1vsa n ASN 143 Ca -0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.17 1vsa n ASN 143 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1vsa n ASN 143 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1vsa n ARG 144 N 0.00 1.79 0.00 3.52 0.00 -1.26 -4.87 116.66 115.84 1vsa n ARG 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 144 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1vsa n ARG 144 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1vsa n LYS 145 N 0.00 0.44 -3.84 2.89 5.02 -1.26 -0.75 118.16 120.65 1vsa n LYS 145 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1vsa n LYS 145 Cb 0.00 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 1vsa n LYS 145 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1vsa s THR 146 N -0.31 1.97 -0.51 -0.18 -4.23 -1.26 -1.54 115.64 109.58 1vsa s THR 146 Ca 0.00 -2.81 0.01 0.00 -1.18 0.00 0.00 61.69 57.70 1vsa s THR 146 Cb 0.00 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.49 1vsa s THR 146 CO 0.00 -0.82 0.80 -0.81 -0.54 0.00 0.00 174.62 173.26 1vsa n PRO 147 N 3.48 1.15 0.00 3.99 -0.04 -1.26 -4.44 135.00 137.87 1vsa n PRO 147 Ca 0.06 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1vsa n PRO 147 Cb 0.34 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1vsa n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsa n GLY 148 N 0.21 2.24 0.00 0.55 0.00 0.07 -4.87 105.19 103.39 1vsa n GLY 148 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vsa n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vsa n ARG 149 N 0.00 1.96 -3.74 1.61 1.85 -1.26 -4.70 116.66 112.38 1vsa n ARG 149 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 1vsa n ARG 149 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.24 1vsa n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1vsa s VAL 150 N 0.00 0.26 -1.00 8.89 1.01 -1.26 -5.02 120.40 123.29 1vsa s VAL 150 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 1vsa s VAL 150 Cb 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 36.38 35.59 1vsa s VAL 150 CO 0.00 0.15 2.46 0.00 0.00 0.00 0.00 175.10 177.71 1vsa n TYR 151 N 5.18 0.32 -1.65 5.22 9.36 -1.26 -4.75 117.16 129.57 1vsa n TYR 151 Ca -0.06 0.21 -0.46 0.00 3.32 0.00 0.00 57.90 60.91 1vsa n TYR 151 Cb 0.50 -1.56 -0.03 0.00 -0.63 0.00 0.00 39.34 37.62 1vsa n TYR 151 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1vsa n LYS 152 N 7.19 1.89 0.00 2.98 3.00 -1.26 -1.76 118.16 130.20 1vsa n LYS 152 Ca 0.67 0.68 0.00 0.00 -0.00 0.00 0.00 58.31 59.65 1vsa n LYS 152 Cb 0.08 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 32.78 1vsa n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vsa n GLY 153 N 2.43 2.55 0.00 3.14 0.00 -1.26 -5.00 105.19 107.06 1vsa n GLY 153 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1vsa n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vsa n LYS 154 N 0.00 0.00 -1.23 1.61 3.00 -0.72 -4.32 118.16 116.50 1vsa n LYS 154 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1vsa n LYS 154 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1vsa n LYS 154 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1vsa n LYS 155 N 0.00 0.04 -3.56 1.64 5.02 -1.26 -4.84 118.16 115.20 1vsa n LYS 155 Ca 0.00 -0.75 -0.41 0.00 -2.02 0.00 0.00 58.31 55.13 1vsa n LYS 155 Cb 0.00 -2.29 -0.11 0.00 -0.02 0.00 0.00 35.03 32.61 1vsa n LYS 155 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1vsa s MET 156 N 6.49 3.18 0.73 1.97 -1.94 -1.26 -4.98 119.30 123.48 1vsa s MET 156 Ca 0.37 -0.85 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 1vsa s MET 156 Cb -0.02 -3.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.00 1vsa s MET 156 CO 0.09 -0.57 -0.52 0.00 -0.01 0.00 0.00 175.02 174.01 1vsa n ALA 157 N 5.06 0.57 0.00 3.03 0.00 -1.26 -4.95 120.51 122.96 1vsa n ALA 157 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1vsa n ALA 157 Cb 0.48 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1vsa n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 158 N 3.11 0.45 3.77 0.00 0.00 -1.17 -5.00 105.19 106.36 1vsa n GLY 158 Ca -0.00 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1vsa n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vsa s HIS 159 N -0.80 2.75 0.07 1.61 3.76 -1.26 -2.71 115.29 118.72 1vsa s HIS 159 Ca 0.00 1.51 -0.17 0.00 -0.15 0.00 0.00 55.06 56.24 1vsa s HIS 159 Cb 0.00 -3.46 0.03 0.00 1.11 0.00 0.00 32.58 30.27 1vsa s HIS 159 CO 0.00 -1.78 0.40 -0.47 -0.85 0.00 0.00 174.74 172.03 1vsa s TYR 160 N -1.51 -0.23 0.05 1.40 6.14 -1.14 -4.99 117.35 117.07 1vsa s TYR 160 Ca 0.66 0.09 0.00 0.00 0.64 0.00 0.00 57.07 58.46 1vsa s TYR 160 Cb -0.31 0.22 0.00 0.00 0.42 0.00 0.00 41.96 42.29 1vsa s TYR 160 CO 0.37 -0.61 0.00 0.41 0.64 0.00 0.00 175.55 176.36 1vsa n GLY 161 N 0.27 -2.19 2.73 8.97 0.00 -1.22 -0.54 105.19 113.22 1vsa n GLY 161 Ca -0.18 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 1vsa n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 162 N -2.49 -3.45 -3.59 4.61 0.00 -1.17 -4.14 120.51 110.28 1vsa n ALA 162 Ca -0.01 0.69 0.12 0.00 0.00 0.00 0.00 53.44 54.24 1vsa n ALA 162 Cb 0.07 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.13 1vsa n ALA 162 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vsa n GLU 163 N 0.86 0.01 -2.49 0.00 0.28 -1.26 -4.88 120.64 113.15 1vsa n GLU 163 Ca -0.05 -0.29 -0.43 0.00 -0.16 0.00 0.00 57.16 56.23 1vsa n GLU 163 Cb 0.09 0.57 -0.02 0.00 1.43 0.00 0.00 31.44 33.51 1vsa n GLU 163 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1vsa s ARG 164 N -2.00 3.96 0.12 3.44 3.52 -1.26 -3.04 118.95 123.69 1vsa s ARG 164 Ca 0.18 1.18 0.09 0.00 -0.13 0.00 0.00 55.73 57.05 1vsa s ARG 164 Cb -0.00 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1vsa s ARG 164 CO -0.02 -1.06 -0.22 0.08 -0.81 0.00 0.00 175.30 173.28 1vsa s VAL 165 N 4.15 1.87 0.20 7.11 1.01 -1.18 -4.97 120.40 128.61 1vsa s VAL 165 Ca 0.53 -1.69 0.08 0.00 0.00 0.00 0.00 61.98 60.91 1vsa s VAL 165 Cb -0.15 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1vsa s VAL 165 CO 0.21 -0.09 -0.16 -0.89 0.00 0.00 0.00 175.10 174.18 1vsa s THR 166 N -1.34 1.83 -0.09 3.92 2.01 -1.26 -2.96 115.64 117.74 1vsa s THR 166 Ca 0.10 -2.18 -0.30 0.00 0.31 0.00 0.00 61.69 59.63 1vsa s THR 166 Cb -0.09 -2.03 0.07 0.00 0.01 0.00 0.00 72.50 70.46 1vsa s THR 166 CO 0.05 -0.52 0.71 0.54 -0.69 0.00 0.00 174.62 174.71 1vsa s VAL 167 N -2.75 0.00 0.07 3.82 0.11 0.59 -4.94 120.40 117.30 1vsa s VAL 167 Ca 0.22 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.33 1vsa s VAL 167 Cb -0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1vsa s VAL 167 CO 0.08 0.00 -0.16 -0.04 -3.33 0.00 0.00 175.10 171.65 1vsa s MET 168 N -0.91 0.94 0.06 1.54 -1.94 -1.26 0.26 119.30 118.00 1vsa s MET 168 Ca -0.09 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1vsa s MET 168 Cb -0.01 -1.01 0.00 0.00 2.01 0.00 0.00 34.83 35.82 1vsa s MET 168 CO 0.08 0.24 0.00 0.09 -0.01 0.00 0.00 175.02 175.41 1vsa n ASN 169 N 1.45 -9.00 -3.60 3.03 4.13 -1.16 -4.87 115.26 105.23 1vsa n ASN 169 Ca -0.20 1.65 -0.13 0.00 1.68 0.00 0.00 54.58 57.59 1vsa n ASN 169 Cb 0.54 -4.93 -0.12 0.00 -1.54 0.00 0.00 39.78 33.73 1vsa n ASN 169 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1vsa s LEU 170 N -0.55 -0.38 -0.87 3.41 1.02 -0.50 -4.86 118.68 115.95 1vsa s LEU 170 Ca 0.00 0.51 -0.25 0.00 0.02 0.00 0.00 54.13 54.42 1vsa s LEU 170 Cb 0.00 0.83 0.02 0.00 0.02 0.00 0.00 46.19 47.06 1vsa s LEU 170 CO 0.00 -0.26 1.53 -1.61 0.02 0.00 0.00 176.35 176.03 1vsa s GLU 171 N 2.46 3.19 1.13 1.70 2.02 -1.26 -2.90 118.70 125.04 1vsa s GLU 171 Ca 0.03 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.31 1vsa s GLU 171 Cb -0.13 -4.85 0.14 0.00 0.10 0.00 0.00 34.13 29.39 1vsa s GLU 171 CO -0.11 -2.44 0.18 0.28 0.02 0.00 0.00 175.26 173.20 1vsa n VAL 172 N 6.94 0.00 0.00 2.63 0.31 -1.07 -3.79 118.33 123.35 1vsa n VAL 172 Ca 0.24 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1vsa n VAL 172 Cb 0.50 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1vsa n VAL 172 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1vsa n VAL 173 N -4.52 0.00 -3.99 2.52 0.31 -1.21 -1.78 118.33 109.67 1vsa n VAL 173 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 1vsa n VAL 173 Cb 0.61 -0.31 -0.11 0.00 -0.91 0.00 0.00 33.84 33.11 1vsa n VAL 173 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vsa s ASP 174 N -3.89 0.32 -0.01 4.52 -1.08 -1.25 -4.47 116.67 110.82 1vsa s ASP 174 Ca 0.00 -0.51 0.01 0.00 -0.52 0.00 0.00 52.55 51.53 1vsa s ASP 174 Cb 0.00 0.09 0.01 0.00 -1.46 0.00 0.00 42.92 41.56 1vsa s ASP 174 CO 0.00 -0.29 -0.01 0.54 0.52 0.00 0.00 175.17 175.93 1vsa s VAL 175 N -1.45 0.15 -0.30 1.11 0.11 -1.26 -3.12 120.40 115.64 1vsa s VAL 175 Ca -0.15 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 58.80 1vsa s VAL 175 Cb -0.10 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1vsa s VAL 175 CO -0.01 0.06 0.06 -0.63 -3.33 0.00 0.00 175.10 171.26 1vsa s ILE 176 N 0.20 3.73 0.00 7.04 1.09 0.77 -4.94 121.20 129.10 1vsa s ILE 176 Ca -0.02 -0.88 0.00 0.00 -1.10 0.00 0.00 60.65 58.65 1vsa s ILE 176 Cb -0.04 -2.98 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 1vsa s ILE 176 CO -0.01 0.02 0.86 -0.81 -0.10 0.00 0.00 174.94 174.91 1vsa n PRO 177 N 4.82 0.00 0.00 2.79 -0.04 -1.26 0.14 135.00 141.45 1vsa n PRO 177 Ca -0.14 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1vsa n PRO 177 Cb 0.47 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1vsa n PRO 177 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1vsa n GLU 178 N -1.61 0.00 -2.83 0.54 4.07 -1.26 0.15 120.64 119.70 1vsa n GLU 178 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1vsa n GLU 178 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1vsa n GLU 178 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1vsa n GLU 179 N 0.00 1.09 -2.55 5.31 1.02 -1.26 -5.02 120.64 119.22 1vsa n GLU 179 Ca 0.00 -3.25 -0.05 0.00 -0.02 0.00 0.00 57.16 53.84 1vsa n GLU 179 Cb 0.00 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.07 1vsa n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1vsa n ASN 180 N 0.04 -6.74 -4.03 1.62 3.02 0.40 -4.66 115.26 104.91 1vsa n ASN 180 Ca 0.14 0.53 -0.30 0.00 -0.03 0.00 0.00 54.58 54.92 1vsa n ASN 180 Cb 0.77 -4.49 -0.16 0.00 -0.61 0.00 0.00 39.78 35.29 1vsa n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vsa s LEU 181 N -2.13 1.71 0.00 3.41 2.01 0.38 0.33 118.68 124.39 1vsa s LEU 181 Ca 0.17 -0.50 0.04 0.00 0.01 0.00 0.00 54.13 53.86 1vsa s LEU 181 Cb -0.05 -1.20 -0.02 0.00 0.01 0.00 0.00 46.19 44.94 1vsa s LEU 181 CO 0.61 -0.05 0.16 -0.11 1.01 0.00 0.00 176.35 177.97 1vsa n LEU 182 N 4.75 0.00 0.00 1.79 7.94 0.03 0.27 117.00 131.78 1vsa n LEU 182 Ca -0.17 -2.91 0.00 0.00 -1.11 0.00 0.00 56.01 51.82 1vsa n LEU 182 Cb 0.50 1.06 0.00 0.00 0.53 0.00 0.00 43.42 45.51 1vsa n LEU 182 CO 0.22 -0.46 0.00 0.00 -1.11 0.00 0.00 177.39 176.04 1vsa n LEU 183 N 0.00 0.00 0.00 -1.96 -0.00 -1.18 -1.78 117.00 112.08 1vsa n LEU 183 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1vsa n LEU 183 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1vsa n LEU 183 CO 0.30 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 179.02 1vsa n VAL 184 N -0.69 0.00 -2.72 1.47 0.24 -1.13 -3.33 118.33 112.17 1vsa n VAL 184 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 1vsa n VAL 184 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1vsa n VAL 184 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1vsa s LYS 185 N 4.56 3.48 1.29 7.34 -0.14 -1.25 -1.48 119.74 133.53 1vsa s LYS 185 Ca 0.00 0.09 -0.22 0.00 -1.36 0.00 0.00 55.97 54.48 1vsa s LYS 185 Cb 0.00 -4.00 0.32 0.00 -1.68 0.00 0.00 37.83 32.47 1vsa s LYS 185 CO 0.00 -1.48 1.08 0.20 -0.76 0.00 0.00 175.35 174.39 1vsa s GLY 186 N 2.71 1.56 0.00 -3.33 0.00 -1.26 -4.49 107.32 102.50 1vsa s GLY 186 Ca 0.38 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1vsa s GLY 186 CO 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 173.10 173.25 1vsa n ALA 187 N -5.05 0.00 0.00 3.20 0.00 -1.26 -4.74 120.51 112.66 1vsa n ALA 187 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1vsa n ALA 187 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1vsa n ALA 187 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1vsa n VAL 188 N 0.00 0.00 0.00 0.00 3.14 -1.26 -5.13 118.33 115.08 1vsa n VAL 188 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vsa n VAL 188 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vsa n VAL 188 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1vsa n PRO 189 N -0.99 1.34 -1.73 1.45 -0.04 -1.26 -5.00 135.00 128.77 1vsa n PRO 189 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1vsa n PRO 189 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1vsa n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsa n GLY 190 N 4.82 -3.39 3.80 0.55 0.00 -1.14 -4.86 105.19 104.97 1vsa n GLY 190 Ca 0.00 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1vsa n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vsa s PRO 191 N -0.85 3.94 -0.02 1.61 0.04 -1.26 -4.83 135.00 133.63 1vsa s PRO 191 Ca -0.05 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.28 1vsa s PRO 191 Cb 0.00 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1vsa s PRO 191 CO 0.16 -0.31 0.19 -1.71 0.04 0.00 0.00 177.00 175.37 1vsa n ASN 192 N -0.72 0.04 0.00 6.66 4.05 -1.26 -1.30 115.26 122.73 1vsa n ASN 192 Ca 0.08 0.19 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1vsa n ASN 192 Cb 0.52 -0.15 0.00 0.00 1.23 0.00 0.00 39.78 41.38 1vsa n ASN 192 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vsa n GLY 193 N 0.33 1.60 0.00 8.20 0.00 0.35 -4.96 105.19 110.71 1vsa n GLY 193 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vsa n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 194 N -2.00 -0.95 3.46 -0.02 0.00 -0.42 -4.78 105.19 100.48 1vsa n GLY 194 Ca 0.00 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1vsa n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vsa s LEU 195 N 0.00 2.82 0.19 0.99 2.96 -1.26 -3.01 118.68 121.36 1vsa s LEU 195 Ca 0.00 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1vsa s LEU 195 Cb 0.00 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 1vsa s LEU 195 CO 0.00 0.29 0.26 0.68 -1.32 0.00 0.00 176.35 176.26 1vsa s VAL 196 N -0.37 0.04 -0.27 1.68 -7.23 -1.19 -3.85 120.40 109.21 1vsa s VAL 196 Ca 0.04 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 1vsa s VAL 196 Cb -0.12 -2.12 0.10 0.00 0.56 0.00 0.00 36.38 34.80 1vsa s VAL 196 CO 0.02 -0.17 0.62 0.27 -0.31 0.00 0.00 175.10 175.53 1vsa s ILE 197 N -4.04 -0.57 0.00 -0.62 -4.36 -1.18 -2.85 121.20 107.59 1vsa s ILE 197 Ca 0.25 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.66 1vsa s ILE 197 Cb 0.04 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.81 1vsa s ILE 197 CO 0.05 0.01 0.00 0.52 0.24 0.00 0.00 174.94 175.76 1vsa n VAL 198 N 4.99 0.00 -2.63 8.37 0.31 -1.13 -0.99 118.33 127.26 1vsa n VAL 198 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1vsa n VAL 198 Cb 0.53 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1vsa n VAL 198 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vsa n ARG 199 N -0.01 0.00 -3.24 5.55 1.74 -1.04 -3.99 116.66 115.67 1vsa n ARG 199 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1vsa n ARG 199 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1vsa n ARG 199 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1vsa s GLU 200 N 1.36 0.48 0.00 5.56 2.02 -1.23 -3.83 118.70 123.05 1vsa s GLU 200 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.34 1vsa s GLU 200 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.18 1vsa s GLU 200 CO 0.00 -1.01 0.00 2.41 0.02 0.00 0.00 175.26 176.68 1vsa n THR 201 N 5.38 0.00 -1.85 3.63 -1.04 -1.13 -4.34 114.28 114.94 1vsa n THR 201 Ca 0.02 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.09 1vsa n THR 201 Cb 0.51 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.15 1vsa n THR 201 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vsa n LYS 202 N 0.00 0.97 0.00 -2.82 4.01 -1.26 -4.75 118.16 114.31 1vsa n LYS 202 Ca 0.00 -2.68 0.01 0.00 -0.51 0.00 0.00 58.31 55.13 1vsa n LYS 202 Cb 0.00 -1.04 0.06 0.00 -0.51 0.00 0.00 35.03 33.55 1vsa n LYS 202 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65