#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vh1 s PHE 3 N 0.00 -0.55 -0.04 0.66 -0.12 -1.26 -4.61 117.98 112.06 1vh1 s PHE 3 Ca 0.00 0.38 0.05 0.00 -0.05 0.00 0.00 56.93 57.31 1vh1 s PHE 3 Cb 0.00 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1vh1 s PHE 3 CO 0.00 -0.83 -0.18 0.08 -0.05 0.00 0.00 175.22 174.24 1vh1 s VAL 4 N -3.57 2.77 -0.12 -2.49 1.01 0.17 -1.70 120.40 116.47 1vh1 s VAL 4 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1vh1 s VAL 4 Cb -0.01 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1vh1 s VAL 4 CO -0.11 0.59 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 1vh1 s VAL 5 N -0.70 4.09 -0.12 2.92 1.01 0.02 -0.66 120.40 126.97 1vh1 s VAL 5 Ca 0.11 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1vh1 s VAL 5 Cb -0.10 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1vh1 s VAL 5 CO 0.00 0.55 -0.22 -0.63 0.00 0.00 0.00 175.10 174.81 1vh1 s ILE 6 N -0.31 2.21 -0.35 2.22 1.01 -0.75 -1.05 121.20 124.18 1vh1 s ILE 6 Ca 0.06 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 1vh1 s ILE 6 Cb -0.12 -1.87 0.09 0.00 0.01 0.00 0.00 42.46 40.57 1vh1 s ILE 6 CO 0.02 0.55 0.09 -0.63 0.00 0.00 0.00 174.94 174.97 1vh1 s ILE 7 N 0.52 2.83 0.11 2.92 1.01 0.12 -2.28 121.20 126.44 1vh1 s ILE 7 Ca -0.13 -1.98 -0.31 0.00 0.00 0.00 0.00 60.65 58.22 1vh1 s ILE 7 Cb -0.17 -2.90 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 1vh1 s ILE 7 CO 0.05 -0.50 1.55 -2.84 0.00 0.00 0.00 174.94 173.20 1vh1 s PRO 8 N 1.09 4.23 -0.40 2.79 0.02 -1.25 -0.01 135.00 141.47 1vh1 s PRO 8 Ca 0.05 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 1vh1 s PRO 8 Cb -0.21 -3.34 0.10 0.00 0.02 0.00 0.00 34.50 31.08 1vh1 s PRO 8 CO -0.05 -0.61 0.19 0.00 -0.33 0.00 0.00 177.00 176.20 1vh1 s ALA 9 N 1.68 3.14 -0.36 -1.55 0.00 0.11 -2.83 121.76 121.96 1vh1 s ALA 9 Ca 0.70 -2.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.05 1vh1 s ALA 9 Cb -0.40 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1vh1 s ALA 9 CO 0.31 -1.73 0.63 1.03 0.00 0.00 0.00 175.76 176.00 1vh1 s ARG 10 N 1.20 3.63 0.03 0.00 3.00 -1.26 -4.63 118.95 120.91 1vh1 s ARG 10 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 55.73 55.56 1vh1 s ARG 10 Cb -0.23 -3.82 -0.16 0.00 0.00 0.00 0.00 34.95 30.74 1vh1 s ARG 10 CO -0.03 -0.76 1.35 -0.92 0.00 0.00 0.00 175.30 174.94 1vh1 h TYR 11 N 8.51 0.28 -3.07 -0.53 3.20 -1.97 -3.37 116.97 120.01 1vh1 h TYR 11 Ca -0.26 -0.08 -0.58 0.00 3.14 0.00 0.00 58.73 60.95 1vh1 h TYR 11 Cb 1.11 -0.06 0.13 0.00 1.54 0.00 0.00 36.73 39.44 1vh1 h TYR 11 CO 0.75 0.63 0.23 0.00 -1.64 0.00 0.00 178.16 178.13 1vh1 n ALA 12 N -2.38 0.38 0.00 1.82 0.00 -1.26 -3.01 120.51 116.06 1vh1 n ALA 12 Ca -0.07 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1vh1 n ALA 12 Cb 0.30 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1vh1 n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vh1 n SER 13 N 0.57 0.00 -0.10 0.00 2.88 -1.26 -4.83 113.62 110.89 1vh1 n SER 13 Ca 0.09 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.53 1vh1 n SER 13 Cb 0.38 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 1vh1 n SER 13 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1vh1 h THR 14 N 0.00 0.15 -0.00 2.46 2.02 -1.94 -2.19 112.91 113.41 1vh1 h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1vh1 h THR 14 Cb 0.00 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1vh1 h THR 14 CO 0.00 0.00 -0.18 0.54 0.37 0.00 0.00 175.52 176.25 1vh1 n ARG 15 N -5.42 0.55 -3.25 6.66 3.00 -1.26 -4.61 116.66 112.32 1vh1 n ARG 15 Ca -0.01 -0.22 -0.14 0.00 -0.01 0.00 0.00 57.85 57.47 1vh1 n ARG 15 Cb 0.35 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.26 1vh1 n ARG 15 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1vh1 s LEU 16 N -2.61 -0.27 0.45 0.55 2.96 -0.84 -4.37 118.68 114.55 1vh1 s LEU 16 Ca 0.24 -1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 52.19 1vh1 s LEU 16 Cb 0.19 0.83 -0.07 0.00 0.50 0.00 0.00 46.19 47.64 1vh1 s LEU 16 CO 0.52 -0.20 1.21 -2.16 -1.32 0.00 0.00 176.35 174.40 1vh1 s PRO 17 N 1.19 3.77 -1.45 0.98 0.05 -1.13 -3.31 135.00 135.09 1vh1 s PRO 17 Ca 0.21 1.91 -0.09 0.00 0.05 0.00 0.00 61.00 63.07 1vh1 s PRO 17 Cb -0.09 -2.49 0.05 0.00 0.05 0.00 0.00 34.50 32.02 1vh1 s PRO 17 CO -0.06 -0.58 0.73 0.41 0.05 0.00 0.00 177.00 177.55 1vh1 n GLY 18 N 0.55 -0.51 0.33 0.56 0.00 -1.16 -4.87 105.19 100.10 1vh1 n GLY 18 Ca 0.07 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1vh1 n GLY 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vh1 h LYS 19 N -1.57 0.62 -0.85 1.61 2.10 -1.54 0.64 116.57 117.59 1vh1 h LYS 19 Ca -0.52 -0.04 0.10 0.00 -2.00 0.00 0.00 60.65 58.19 1vh1 h LYS 19 Cb 1.34 -0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 32.47 1vh1 h LYS 19 CO 0.59 0.41 0.55 -1.00 -2.00 0.00 0.00 179.45 178.00 1vh1 h PRO 20 N 0.64 0.79 -0.01 0.07 0.13 -1.83 -0.72 132.00 131.07 1vh1 h PRO 20 Ca 0.55 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.63 1vh1 h PRO 20 Cb 0.90 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1vh1 h PRO 20 CO -0.41 0.52 -0.12 1.28 -0.23 0.00 0.00 178.00 179.04 1vh1 n LEU 21 N -4.52 0.84 -4.61 1.56 4.77 0.20 -1.68 117.00 113.56 1vh1 n LEU 21 Ca 0.14 -0.20 -0.47 0.00 -0.03 0.00 0.00 56.01 55.46 1vh1 n LEU 21 Cb 0.31 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1vh1 n LEU 21 CO 0.32 0.15 0.83 0.52 -1.33 0.00 0.00 177.39 177.87 1vh1 n VAL 22 N -0.60 0.95 -2.74 4.08 0.31 -0.28 -4.67 118.33 115.38 1vh1 n VAL 22 Ca 0.16 -0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 1vh1 n VAL 22 Cb 0.30 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 32.10 1vh1 n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vh1 s ASP 23 N 0.09 7.37 -0.32 4.52 -1.08 -1.26 -4.28 116.67 121.71 1vh1 s ASP 23 Ca 0.71 1.66 0.00 0.00 -0.52 0.00 0.00 52.55 54.40 1vh1 s ASP 23 Cb -0.77 -2.56 0.10 0.00 -1.46 0.00 0.00 42.92 38.23 1vh1 s ASP 23 CO 0.51 -0.19 0.10 -0.63 0.52 0.00 0.00 175.17 175.48 1vh1 s ILE 24 N 0.71 1.12 -1.45 4.11 1.01 0.12 -4.86 121.20 121.95 1vh1 s ILE 24 Ca 0.49 -1.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 1vh1 s ILE 24 Cb -0.21 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.46 1vh1 s ILE 24 CO 0.28 -0.67 0.71 0.59 0.00 0.00 0.00 174.94 175.84 1vh1 n ASN 25 N 4.70 -2.20 0.00 3.58 3.02 -1.26 -2.46 115.26 120.64 1vh1 n ASN 25 Ca -0.01 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1vh1 n ASN 25 Cb 0.42 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 1vh1 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vh1 n GLY 26 N -1.70 3.12 3.06 7.41 0.00 -1.26 -5.08 105.19 110.74 1vh1 n GLY 26 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1vh1 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vh1 s LYS 27 N -0.69 0.53 0.00 1.61 -2.85 -1.03 -5.10 119.74 112.21 1vh1 s LYS 27 Ca 0.00 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1vh1 s LYS 27 Cb 0.00 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 1vh1 s LYS 27 CO 0.00 -0.06 0.00 -0.35 0.10 0.00 0.00 175.35 175.04 1vh1 n PRO 28 N 0.76 3.13 0.00 1.78 -0.04 -1.26 -0.71 135.00 138.66 1vh1 n PRO 28 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1vh1 n PRO 28 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1vh1 n PRO 28 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1vh1 n ILE 30 N 0.00 0.00 -0.16 0.52 0.13 -0.68 -2.25 119.36 116.93 1vh1 n ILE 30 Ca 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.58 1vh1 n ILE 30 Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.82 1vh1 n ILE 30 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1vh1 h VAL 31 N 0.00 1.12 -0.77 9.51 2.07 -1.92 -0.11 116.25 126.15 1vh1 h VAL 31 Ca 0.00 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1vh1 h VAL 31 Cb 0.00 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 1vh1 h VAL 31 CO 0.00 0.12 0.44 0.45 0.02 0.00 0.00 177.57 178.59 1vh1 h HIS 32 N 0.65 0.79 -0.71 1.57 3.86 -1.78 0.71 115.15 120.25 1vh1 h HIS 32 Ca 0.18 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1vh1 h HIS 32 Cb -0.07 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.12 1vh1 h HIS 32 CO -0.04 0.35 0.26 0.28 0.86 0.00 0.00 177.93 179.63 1vh1 h VAL 33 N 0.76 1.25 -0.88 2.45 2.07 -1.48 -1.87 116.25 118.55 1vh1 h VAL 33 Ca 0.36 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 67.10 1vh1 h VAL 33 Cb 0.29 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1vh1 h VAL 33 CO -0.22 0.33 0.56 0.25 0.02 0.00 0.00 177.57 178.50 1vh1 h LEU 34 N 1.03 0.89 0.41 2.57 5.85 0.25 -0.36 115.31 125.95 1vh1 h LEU 34 Ca 0.23 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1vh1 h LEU 34 Cb 0.25 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1vh1 h LEU 34 CO -0.01 0.58 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.14 1vh1 h GLU 35 N 1.03 -0.53 -0.42 1.25 5.08 -0.21 0.18 114.58 120.96 1vh1 h GLU 35 Ca 0.38 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 1vh1 h GLU 35 Cb 0.13 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 1vh1 h GLU 35 CO -0.16 -0.34 -0.41 0.00 -1.00 0.00 0.00 179.01 177.09 1vh1 h ARG 36 N -0.57 -0.30 -0.91 2.33 2.47 -1.04 0.75 114.38 117.10 1vh1 h ARG 36 Ca -0.06 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.82 1vh1 h ARG 36 Cb 0.44 0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.75 1vh1 h ARG 36 CO 0.09 -0.20 0.58 0.00 0.56 0.00 0.00 179.97 181.01 1vh1 h ALA 37 N 0.49 1.75 -0.38 0.04 0.00 -0.66 0.21 119.26 120.70 1vh1 h ALA 37 Ca 0.15 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1vh1 h ALA 37 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1vh1 h ALA 37 CO -0.58 0.01 -0.05 0.00 0.00 0.00 0.00 179.25 178.63 1vh1 h ARG 38 N 0.77 0.63 0.00 0.00 3.08 0.15 -2.57 114.38 116.44 1vh1 h ARG 38 Ca 0.45 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1vh1 h ARG 38 Cb 0.64 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1vh1 h ARG 38 CO -0.21 0.69 -0.15 0.93 -1.07 0.00 0.00 179.97 180.15 1vh1 h GLU 39 N 0.59 0.00 0.00 0.04 5.08 0.12 -2.28 114.58 118.13 1vh1 h GLU 39 Ca 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1vh1 h GLU 39 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1vh1 h GLU 39 CO 0.02 0.15 -0.15 0.66 -1.00 0.00 0.00 179.01 178.69 1vh1 h SER 40 N 0.00 0.00 0.00 1.42 4.64 -0.93 -3.47 113.55 115.21 1vh1 h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vh1 h SER 40 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1vh1 h SER 40 CO 0.02 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1vh1 n GLY 41 N -0.49 0.76 3.66 -0.77 0.00 -0.86 -4.58 105.19 102.90 1vh1 n GLY 41 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1vh1 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vh1 n ALA 42 N -1.85 0.73 0.06 4.61 0.00 -1.25 -4.82 120.51 118.00 1vh1 n ALA 42 Ca 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1vh1 n ALA 42 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 1vh1 n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vh1 h GLU 43 N 1.99 0.00 -3.18 0.00 5.08 -1.71 -3.45 114.58 113.30 1vh1 h GLU 43 Ca -0.45 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.65 1vh1 h GLU 43 Cb 1.31 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.23 1vh1 h GLU 43 CO 0.59 0.84 -0.60 0.50 -1.00 0.00 0.00 179.01 179.35 1vh1 s ARG 44 N -2.75 0.08 -0.11 2.33 3.52 -1.24 -5.07 118.95 115.72 1vh1 s ARG 44 Ca 0.01 0.45 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 1vh1 s ARG 44 Cb 0.09 -0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1vh1 s ARG 44 CO 0.81 -0.21 -0.23 0.42 -0.81 0.00 0.00 175.30 175.27 1vh1 s ILE 45 N 1.55 2.08 -0.12 4.11 1.01 -1.26 -0.80 121.20 127.77 1vh1 s ILE 45 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1vh1 s ILE 45 Cb -0.12 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1vh1 s ILE 45 CO -0.06 0.56 -0.10 -0.63 0.00 0.00 0.00 174.94 174.71 1vh1 s ILE 46 N 0.44 1.18 -0.27 2.92 1.01 -0.22 -3.85 121.20 122.40 1vh1 s ILE 46 Ca -0.16 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 1vh1 s ILE 46 Cb -0.17 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1vh1 s ILE 46 CO 0.07 0.39 0.57 -0.69 0.00 0.00 0.00 174.94 175.28 1vh1 s VAL 47 N 1.53 5.01 -0.31 2.92 1.01 -0.34 0.13 120.40 130.36 1vh1 s VAL 47 Ca 0.03 0.93 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 1vh1 s VAL 47 Cb -0.13 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1vh1 s VAL 47 CO -0.07 0.01 0.48 0.00 0.00 0.00 0.00 175.10 175.51 1vh1 s ALA 48 N 2.44 3.52 0.05 5.51 0.00 0.99 -1.28 121.76 132.99 1vh1 s ALA 48 Ca 0.23 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1vh1 s ALA 48 Cb -0.15 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1vh1 s ALA 48 CO 0.10 -0.99 0.15 -0.08 0.00 0.00 0.00 175.76 174.94 1vh1 s THR 49 N 2.30 0.13 -0.15 0.00 -1.32 -1.10 0.10 115.64 115.60 1vh1 s THR 49 Ca 0.18 -1.10 0.06 0.00 -1.21 0.00 0.00 61.69 59.61 1vh1 s THR 49 Cb -0.16 -1.08 0.11 0.00 -1.51 0.00 0.00 72.50 69.87 1vh1 s THR 49 CO 0.12 -0.61 1.08 -0.90 -2.21 0.00 0.00 174.62 172.09 1vh1 n ASP 50 N 0.44 2.26 -4.37 8.08 3.85 -1.26 -1.43 116.55 124.11 1vh1 n ASP 50 Ca -0.17 -2.24 -0.33 0.00 -0.71 0.00 0.00 54.79 51.34 1vh1 n ASP 50 Cb 0.60 -0.13 -0.14 0.00 -1.35 0.00 0.00 41.12 40.09 1vh1 n ASP 50 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 1vh1 s HIS 51 N -1.42 2.74 0.35 2.11 3.76 -1.26 -4.95 115.29 116.62 1vh1 s HIS 51 Ca 0.11 -0.59 0.12 0.00 -0.15 0.00 0.00 55.06 54.55 1vh1 s HIS 51 Cb 0.08 -1.77 0.64 0.00 1.11 0.00 0.00 32.58 32.64 1vh1 s HIS 51 CO 0.03 -0.15 1.78 1.49 -0.85 0.00 0.00 174.74 177.04 1vh1 h GLU 52 N 6.38 0.03 -0.22 1.40 4.81 -1.99 -2.59 114.58 122.39 1vh1 h GLU 52 Ca -0.30 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 58.73 1vh1 h GLU 52 Cb 1.20 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1vh1 h GLU 52 CO 0.53 0.43 -0.62 0.38 -0.73 0.00 0.00 179.01 179.00 1vh1 h ASP 53 N 0.02 0.88 -0.18 1.04 2.03 -1.99 -0.95 116.42 117.27 1vh1 h ASP 53 Ca -0.00 -0.50 -0.01 0.00 -0.73 0.00 0.00 57.03 55.79 1vh1 h ASP 53 Cb 0.73 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 1vh1 h ASP 53 CO 0.05 1.29 0.09 0.58 -1.03 0.00 0.00 179.24 180.22 1vh1 h VAL 54 N 0.57 1.13 -0.89 4.15 2.07 -1.95 -0.49 116.25 120.84 1vh1 h VAL 54 Ca -0.01 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.26 1vh1 h VAL 54 Cb 1.22 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 1vh1 h VAL 54 CO 0.13 0.12 0.53 0.00 0.02 0.00 0.00 177.57 178.37 1vh1 h ALA 55 N 0.96 1.29 -0.54 1.67 0.00 -1.35 -0.12 119.26 121.17 1vh1 h ALA 55 Ca 0.06 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1vh1 h ALA 55 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1vh1 h ALA 55 CO -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 1vh1 h ARG 56 N 0.87 0.98 -0.15 0.00 3.08 -0.73 -0.03 114.38 118.40 1vh1 h ARG 56 Ca 0.43 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1vh1 h ARG 56 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1vh1 h ARG 56 CO -0.25 1.01 0.01 0.00 -1.07 0.00 0.00 179.97 179.67 1vh1 h ALA 57 N 0.94 0.14 -0.53 0.04 0.00 0.53 -0.89 119.26 119.49 1vh1 h ALA 57 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1vh1 h ALA 57 Cb 0.60 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1vh1 h ALA 57 CO 0.04 -0.43 0.02 0.28 0.00 0.00 0.00 179.25 179.16 1vh1 h VAL 58 N 0.07 1.26 0.00 0.00 2.07 -0.87 -2.79 116.25 115.99 1vh1 h VAL 58 Ca 0.07 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 1vh1 h VAL 58 Cb 0.07 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1vh1 h VAL 58 CO -0.11 0.38 -0.32 -0.33 0.02 0.00 0.00 177.57 177.21 1vh1 h GLU 59 N 0.80 0.00 0.00 1.57 5.08 -0.83 0.12 114.58 121.32 1vh1 h GLU 59 Ca 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1vh1 h GLU 59 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1vh1 h GLU 59 CO 0.02 0.32 -0.20 0.00 -1.00 0.00 0.00 179.01 178.15 1vh1 h ALA 60 N 1.68 1.46 -0.54 3.43 0.00 -0.88 -2.42 119.26 121.99 1vh1 h ALA 60 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1vh1 h ALA 60 Cb 0.58 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1vh1 h ALA 60 CO 0.04 0.25 0.08 0.00 0.00 0.00 0.00 179.25 179.62 1vh1 n ALA 61 N -2.41 3.91 -1.90 0.00 0.00 -0.90 -4.95 120.51 114.26 1vh1 n ALA 61 Ca -0.02 -2.21 -0.10 0.00 0.00 0.00 0.00 53.44 51.11 1vh1 n ALA 61 Cb 0.28 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1vh1 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vh1 n GLY 62 N 0.02 0.35 3.89 0.00 0.00 -0.91 -5.04 105.19 103.50 1vh1 n GLY 62 Ca 0.31 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1vh1 n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vh1 s GLY 63 N -2.66 2.26 0.16 -0.02 0.00 0.35 -4.97 107.32 102.44 1vh1 s GLY 63 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 44.72 43.96 1vh1 s GLY 63 CO 0.00 -0.41 0.73 1.85 0.00 0.00 0.00 173.10 175.27 1vh1 s GLU 64 N -2.43 4.45 -0.00 2.90 2.12 -1.25 -3.91 118.70 120.59 1vh1 s GLU 64 Ca 0.38 1.04 0.05 0.00 0.36 0.00 0.00 54.97 56.80 1vh1 s GLU 64 Cb -0.13 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 1vh1 s GLU 64 CO 0.23 0.56 -0.17 0.14 -0.54 0.00 0.00 175.26 175.48 1vh1 s VAL 65 N -1.19 1.33 0.00 3.70 -7.23 -1.26 -1.20 120.40 114.55 1vh1 s VAL 65 Ca 0.35 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1vh1 s VAL 65 Cb -0.22 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.61 1vh1 s VAL 65 CO 0.24 0.32 0.00 0.00 -0.31 0.00 0.00 175.10 175.35 1vh1 n THR 68 N 0.00 0.00 -0.12 0.00 -2.24 -0.52 -2.72 114.28 108.69 1vh1 n THR 68 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vh1 n THR 68 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vh1 n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vh1 n SER 74 N 0.00 0.00 0.00 3.42 3.41 -1.26 -4.56 113.62 114.63 1vh1 n SER 74 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1vh1 n SER 74 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vh1 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vh1 n GLY 75 N 1.68 0.92 0.20 5.00 0.00 -1.26 -3.02 105.19 108.72 1vh1 n GLY 75 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 1vh1 n GLY 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1vh1 h THR 76 N 0.00 1.28 -0.71 2.61 1.35 -2.03 -2.70 112.91 112.70 1vh1 h THR 76 Ca 0.00 -1.12 0.11 0.00 -0.55 0.00 0.00 66.41 64.85 1vh1 h THR 76 Cb 0.00 1.32 -0.08 0.00 -1.73 0.00 0.00 68.15 67.66 1vh1 h THR 76 CO 0.00 0.36 0.33 -0.33 -0.25 0.00 0.00 175.52 175.63 1vh1 h GLU 77 N 0.42 0.52 -0.86 4.72 5.08 -1.93 0.75 114.58 123.28 1vh1 h GLU 77 Ca 0.09 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1vh1 h GLU 77 Cb 0.57 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1vh1 h GLU 77 CO 0.03 0.34 0.54 0.00 -1.00 0.00 0.00 179.01 178.92 1vh1 h ARG 78 N 0.53 0.98 -0.60 2.33 3.08 -1.77 -0.36 114.38 118.57 1vh1 h ARG 78 Ca 0.37 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1vh1 h ARG 78 Cb 0.45 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1vh1 h ARG 78 CO -0.31 0.65 0.37 1.25 -1.07 0.00 0.00 179.97 180.85 1vh1 h LEU 79 N 1.01 0.71 -0.60 3.04 5.85 -0.56 -2.44 115.31 122.33 1vh1 h LEU 79 Ca 0.36 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1vh1 h LEU 79 Cb 0.11 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1vh1 h LEU 79 CO -0.15 0.55 0.24 0.00 -0.34 0.00 0.00 178.44 178.74 1vh1 h ALA 80 N 1.58 0.77 -0.54 1.25 0.00 -0.22 0.54 119.26 122.65 1vh1 h ALA 80 Ca 0.22 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1vh1 h ALA 80 Cb -0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 1vh1 h ALA 80 CO -0.04 0.38 0.21 1.05 0.00 0.00 0.00 179.25 180.86 1vh1 h GLU 81 N 0.82 0.40 -0.24 0.00 -0.00 -0.92 0.21 114.58 114.86 1vh1 h GLU 81 Ca 0.20 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.52 1vh1 h GLU 81 Cb 0.20 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 28.85 1vh1 h GLU 81 CO -0.02 0.26 0.10 0.28 -0.00 0.00 0.00 179.01 179.64 1vh1 h VAL 82 N 0.41 1.16 -0.91 -1.06 2.07 -1.21 0.27 116.25 116.98 1vh1 h VAL 82 Ca 0.26 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1vh1 h VAL 82 Cb 0.26 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1vh1 h VAL 82 CO -0.24 0.17 0.59 0.58 0.02 0.00 0.00 177.57 178.69 1vh1 h VAL 83 N 0.24 1.09 0.58 2.57 2.07 -0.21 -0.01 116.25 122.59 1vh1 h VAL 83 Ca 0.08 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1vh1 h VAL 83 Cb 0.17 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1vh1 h VAL 83 CO -0.01 0.19 -0.28 -0.33 0.02 0.00 0.00 177.57 177.17 1vh1 h GLU 84 N 1.07 -0.76 -0.15 1.57 4.39 0.01 -1.71 114.58 119.01 1vh1 h GLU 84 Ca 0.38 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.18 1vh1 h GLU 84 Cb 0.14 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1vh1 h GLU 84 CO -0.13 -0.50 0.11 0.87 -1.16 0.00 0.00 179.01 178.19 1vh1 h LYS 85 N -0.82 0.00 -0.01 2.33 1.57 -0.67 0.26 116.57 119.22 1vh1 h LYS 85 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1vh1 h LYS 85 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1vh1 h LYS 85 CO 0.13 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 178.68 1vh1 n ALA 87 N -0.84 -2.33 -1.77 0.00 0.00 0.90 -4.86 120.51 111.61 1vh1 n ALA 87 Ca 0.10 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.78 1vh1 n ALA 87 Cb 0.35 -2.26 0.01 0.00 0.00 0.00 0.00 19.45 17.55 1vh1 n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1vh1 s PHE 88 N -3.81 2.62 0.67 0.00 2.99 -1.06 -4.99 117.98 114.41 1vh1 s PHE 88 Ca 0.27 1.53 -0.13 0.00 0.00 0.00 0.00 56.93 58.60 1vh1 s PHE 88 Cb -0.13 -3.36 0.00 0.00 0.00 0.00 0.00 43.02 39.53 1vh1 s PHE 88 CO 0.94 -1.76 1.08 -1.54 -0.00 0.00 0.00 175.22 173.94 1vh1 s SER 89 N -1.65 5.25 0.18 1.36 1.04 -1.26 -4.92 113.70 113.70 1vh1 s SER 89 Ca 0.73 1.81 -0.13 0.00 0.48 0.00 0.00 55.95 58.83 1vh1 s SER 89 Cb -0.27 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.50 1vh1 s SER 89 CO 0.30 -1.53 1.71 0.44 0.98 0.00 0.00 173.24 175.14 1vh1 h ASP 90 N -0.28 -0.02 0.00 7.02 3.32 -1.94 -1.77 116.42 122.74 1vh1 h ASP 90 Ca -0.45 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1vh1 h ASP 90 Cb 1.23 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1vh1 h ASP 90 CO 0.55 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.19 1vh1 n ASP 91 N -5.12 0.00 -4.68 6.45 5.75 -1.26 -0.90 116.55 116.79 1vh1 n ASP 91 Ca 0.05 -1.48 -0.42 0.00 -0.01 0.00 0.00 54.79 52.92 1vh1 n ASP 91 Cb 0.23 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1vh1 n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1vh1 s THR 92 N -2.00 3.81 -0.24 2.12 2.01 -0.67 -4.86 115.64 115.82 1vh1 s THR 92 Ca 0.12 1.16 -0.24 0.00 0.31 0.00 0.00 61.69 63.05 1vh1 s THR 92 Cb 0.05 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1vh1 s THR 92 CO 0.09 -0.02 0.79 -0.69 -0.69 0.00 0.00 174.62 174.10 1vh1 s VAL 93 N 2.56 4.87 -0.06 3.82 1.01 -1.26 -0.66 120.40 130.69 1vh1 s VAL 93 Ca 0.63 1.48 0.03 0.00 0.00 0.00 0.00 61.98 64.12 1vh1 s VAL 93 Cb -0.30 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1vh1 s VAL 93 CO 0.25 -0.04 -0.12 -0.63 0.00 0.00 0.00 175.10 174.56 1vh1 s ILE 94 N 2.68 3.24 -0.15 2.22 1.01 -0.61 0.43 121.20 130.01 1vh1 s ILE 94 Ca 0.33 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1vh1 s ILE 94 Cb -0.15 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.06 1vh1 s ILE 94 CO 0.08 0.59 -0.14 -0.69 0.00 0.00 0.00 174.94 174.78 1vh1 s VAL 95 N -0.74 1.61 -0.41 2.92 1.01 0.16 -2.15 120.40 122.81 1vh1 s VAL 95 Ca 0.11 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1vh1 s VAL 95 Cb -0.11 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1vh1 s VAL 95 CO 0.01 0.44 0.79 0.21 0.00 0.00 0.00 175.10 176.55 1vh1 s ASN 96 N 1.47 6.49 -0.19 3.32 3.84 -0.27 -1.82 114.94 127.78 1vh1 s ASN 96 Ca 0.05 0.15 -0.02 0.00 0.21 0.00 0.00 52.86 53.25 1vh1 s ASN 96 Cb -0.13 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1vh1 s ASN 96 CO -0.11 -0.83 -0.11 -0.69 -2.79 0.00 0.00 177.10 172.57 1vh1 s VAL 97 N 3.23 2.87 0.46 -5.21 1.01 -0.96 -3.46 120.40 118.33 1vh1 s VAL 97 Ca 0.31 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1vh1 s VAL 97 Cb -0.12 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 1vh1 s VAL 97 CO 0.20 0.48 1.37 -1.10 0.00 0.00 0.00 175.10 176.05 1vh1 s GLN 98 N 1.24 3.63 0.00 2.72 -1.52 -1.26 -3.95 119.66 120.52 1vh1 s GLN 98 Ca 0.03 2.28 0.21 0.00 -1.95 0.00 0.00 55.36 55.93 1vh1 s GLN 98 Cb -0.14 -2.58 1.15 0.00 -0.22 0.00 0.00 33.01 31.22 1vh1 s GLN 98 CO -0.05 -0.81 1.76 0.41 -0.25 0.00 0.00 175.29 176.34 1vh1 n GLY 99 N 0.62 -0.74 1.25 3.09 0.00 -1.13 -2.71 105.19 105.58 1vh1 n GLY 99 Ca 0.06 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1vh1 n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vh1 n ASP 100 N -0.59 3.78 -3.58 1.61 5.68 -1.26 -4.48 116.55 117.71 1vh1 n ASP 100 Ca 0.16 -1.99 -0.27 0.00 -0.50 0.00 0.00 54.79 52.18 1vh1 n ASP 100 Cb 0.13 -0.43 -0.10 0.00 -1.14 0.00 0.00 41.12 39.58 1vh1 n ASP 100 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1vh1 n GLU 101 N 1.51 1.77 -0.14 0.11 1.02 -1.10 -1.24 120.64 122.58 1vh1 n GLU 101 Ca 0.22 -4.26 0.00 0.00 -0.02 0.00 0.00 57.16 53.11 1vh1 n GLU 101 Cb 0.60 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1vh1 n GLU 101 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1vh1 n PRO 102 N 1.58 0.68 -0.23 3.49 -0.04 -1.26 -4.64 135.00 134.57 1vh1 n PRO 102 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1vh1 n PRO 102 Cb 0.41 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1vh1 n PRO 102 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1vh1 n ILE 104 N 1.08 -1.19 -1.68 0.52 3.06 -1.26 -4.60 119.36 115.29 1vh1 n ILE 104 Ca 0.00 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.81 1vh1 n ILE 104 Cb 0.34 -1.19 -0.04 0.00 0.54 0.00 0.00 39.64 39.29 1vh1 n ILE 104 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1vh1 n PRO 105 N 0.67 2.59 -0.34 9.51 -0.02 -1.26 -4.88 135.00 141.27 1vh1 n PRO 105 Ca 0.00 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.54 1vh1 n PRO 105 Cb 0.00 -2.82 0.30 0.00 -0.02 0.00 0.00 33.50 30.95 1vh1 n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vh1 h ALA 106 N 8.67 1.58 -0.74 3.55 0.00 -1.94 -0.54 119.26 129.84 1vh1 h ALA 106 Ca -0.47 0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.62 1vh1 h ALA 106 Cb 1.24 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1vh1 h ALA 106 CO 0.94 -0.03 0.49 1.79 0.00 0.00 0.00 179.25 182.43 1vh1 h THR 107 N 0.76 0.92 0.00 0.00 1.35 -1.91 -0.51 112.91 113.52 1vh1 h THR 107 Ca 0.55 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1vh1 h THR 107 Cb 0.82 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1vh1 h THR 107 CO -0.37 0.11 0.00 0.16 -0.25 0.00 0.00 175.52 175.17 1vh1 h ILE 108 N 0.61 0.00 -0.21 6.82 3.07 -1.45 -1.68 117.51 124.67 1vh1 h ILE 108 Ca 0.34 -0.68 -0.16 0.00 1.55 0.00 0.00 64.86 65.92 1vh1 h ILE 108 Cb 0.52 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1vh1 h ILE 108 CO -0.12 0.00 -0.48 0.40 -1.05 0.00 0.00 178.15 176.90 1vh1 h ILE 109 N 0.00 1.31 -0.07 0.16 2.04 -1.13 -2.94 117.51 116.88 1vh1 h ILE 109 Ca 0.00 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1vh1 h ILE 109 Cb 0.75 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1vh1 h ILE 109 CO 0.00 0.53 0.03 -0.09 0.00 0.00 0.00 178.15 178.63 1vh1 h ARG 110 N 0.39 0.11 -0.12 2.37 1.12 -1.11 -2.92 114.38 114.22 1vh1 h ARG 110 Ca -0.00 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 58.89 1vh1 h ARG 110 Cb 1.09 -0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.96 1vh1 h ARG 110 CO 0.10 0.22 -0.39 0.37 -3.11 0.00 0.00 179.97 177.17 1vh1 h GLN 111 N -0.03 -0.45 -0.53 0.20 4.15 -1.37 0.48 115.11 117.56 1vh1 h GLN 111 Ca 0.03 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.56 1vh1 h GLN 111 Cb 0.15 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.88 1vh1 h GLN 111 CO -0.00 -0.30 0.14 0.28 -1.93 0.00 0.00 178.83 177.01 1vh1 h VAL 112 N -0.47 0.74 -0.25 2.39 2.07 -1.51 0.49 116.25 119.71 1vh1 h VAL 112 Ca 0.08 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1vh1 h VAL 112 Cb 0.60 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1vh1 h VAL 112 CO -0.38 0.05 0.14 0.00 0.02 0.00 0.00 177.57 177.41 1vh1 h ALA 113 N 1.39 0.32 -0.55 1.67 0.00 -1.15 -1.29 119.26 119.65 1vh1 h ALA 113 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vh1 h ALA 113 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1vh1 h ALA 113 CO -0.32 -0.16 0.36 -0.44 0.00 0.00 0.00 179.25 178.69 1vh1 h ASP 114 N 0.30 0.65 -0.90 0.00 3.32 0.94 -0.18 116.42 120.55 1vh1 h ASP 114 Ca 0.09 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1vh1 h ASP 114 Cb 0.05 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1vh1 h ASP 114 CO -0.01 0.48 0.48 0.78 -1.72 0.00 0.00 179.24 179.25 1vh1 h ASN 115 N 0.75 1.13 -0.11 6.45 2.35 0.08 -3.05 115.58 123.19 1vh1 h ASN 115 Ca 0.20 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 1vh1 h ASN 115 Cb -0.07 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.02 1vh1 h ASN 115 CO -0.04 0.91 -0.29 0.25 -1.65 0.00 0.00 177.43 176.62 1vh1 h LEU 116 N 1.26 0.43 -0.99 1.61 7.12 -0.96 -3.28 115.31 120.51 1vh1 h LEU 116 Ca 0.31 -0.59 0.32 0.00 0.13 0.00 0.00 57.88 58.05 1vh1 h LEU 116 Cb 0.04 -0.13 -0.15 0.00 -0.53 0.00 0.00 40.66 39.89 1vh1 h LEU 116 CO -0.05 0.95 0.51 0.00 -0.13 0.00 0.00 178.44 179.72 1vh1 h ALA 117 N 0.50 1.87 -0.56 1.25 0.00 -0.92 0.93 119.26 122.33 1vh1 h ALA 117 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vh1 h ALA 117 Cb 0.90 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1vh1 h ALA 117 CO 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.71 1vh1 n GLN 118 N -5.11 3.07 -4.59 0.00 10.64 -1.21 -4.91 117.38 115.27 1vh1 n GLN 118 Ca 0.31 -2.56 -0.27 0.00 -1.83 0.00 0.00 57.00 52.65 1vh1 n GLN 118 Cb 0.98 -1.59 -0.17 0.00 -0.86 0.00 0.00 30.24 28.60 1vh1 n GLN 118 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1vh1 s ARG 119 N -1.37 2.07 -1.60 2.61 0.52 0.32 -5.03 118.95 116.47 1vh1 s ARG 119 Ca 0.41 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 55.00 1vh1 s ARG 119 Cb 0.24 -1.72 -0.07 0.00 0.52 0.00 0.00 34.95 33.92 1vh1 s ARG 119 CO 0.24 -0.00 2.92 1.04 0.02 0.00 0.00 175.30 179.52 1vh1 n GLN 120 N 3.98 3.78 -4.10 3.54 1.13 -1.26 -4.85 117.38 119.59 1vh1 n GLN 120 Ca -0.20 -2.30 -0.27 0.00 -1.94 0.00 0.00 57.00 52.28 1vh1 n GLN 120 Cb 0.52 -2.79 -0.06 0.00 0.11 0.00 0.00 30.24 28.02 1vh1 n GLN 120 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1vh1 s VAL 121 N 1.91 4.36 0.47 5.09 1.01 -1.26 -5.03 120.40 126.95 1vh1 s VAL 121 Ca 0.69 -1.10 0.38 0.00 0.00 0.00 0.00 61.98 61.95 1vh1 s VAL 121 Cb 0.18 -3.21 0.40 0.00 0.00 0.00 0.00 36.38 33.75 1vh1 s VAL 121 CO -0.06 -0.08 2.21 1.23 0.00 0.00 0.00 175.10 178.40 1vh1 h GLY 122 N 2.57 0.00 -5.10 4.51 0.00 -1.87 -3.45 103.07 99.74 1vh1 h GLY 122 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1vh1 h GLY 122 CO 0.63 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.17 1vh1 s ALA 124 N -4.06 -1.65 0.21 3.60 0.00 0.51 -4.20 121.76 116.17 1vh1 s ALA 124 Ca -0.03 2.02 0.05 0.00 0.00 0.00 0.00 51.96 54.00 1vh1 s ALA 124 Cb 0.12 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1vh1 s ALA 124 CO 0.49 -0.33 0.17 0.25 0.00 0.00 0.00 175.76 176.33 1vh1 n THR 125 N 3.47 0.00 -4.31 0.00 -2.24 0.17 -0.05 114.28 111.32 1vh1 n THR 125 Ca -0.17 -1.50 -0.16 0.00 -2.27 0.00 0.00 64.05 59.94 1vh1 n THR 125 Cb 0.57 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1vh1 n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1vh1 s LEU 126 N 0.00 2.18 0.20 3.22 1.43 -1.26 -1.53 118.68 122.92 1vh1 s LEU 126 Ca 0.24 -1.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.04 1vh1 s LEU 126 Cb 0.01 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 1vh1 s LEU 126 CO 0.17 -0.52 0.32 0.00 0.23 0.00 0.00 176.35 176.55 1vh1 s ALA 127 N -3.46 0.16 0.01 4.21 0.00 0.24 -1.29 121.76 121.62 1vh1 s ALA 127 Ca 0.28 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1vh1 s ALA 127 Cb 0.06 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 24.20 1vh1 s ALA 127 CO 0.08 -0.70 -0.07 0.08 0.00 0.00 0.00 175.76 175.14 1vh1 s VAL 128 N -4.02 0.54 0.32 0.00 1.01 0.49 0.51 120.40 119.24 1vh1 s VAL 128 Ca 0.23 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1vh1 s VAL 128 Cb 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 36.38 35.79 1vh1 s VAL 128 CO 0.05 0.01 1.58 -2.65 0.00 0.00 0.00 175.10 174.09 1vh1 n PRO 129 N 2.51 2.72 -3.50 2.72 -0.02 -1.26 0.43 135.00 138.60 1vh1 n PRO 129 Ca -0.16 0.96 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 1vh1 n PRO 129 Cb 0.57 -2.74 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 1vh1 n PRO 129 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1vh1 s ILE 130 N -0.27 5.25 -0.09 4.25 1.01 -0.97 -4.73 121.20 125.66 1vh1 s ILE 130 Ca 0.61 -0.03 0.21 0.00 0.00 0.00 0.00 60.65 61.44 1vh1 s ILE 130 Cb -0.49 -3.71 -0.30 0.00 0.01 0.00 0.00 42.46 37.97 1vh1 s ILE 130 CO 0.52 0.02 0.40 1.41 0.00 0.00 0.00 174.94 177.29 1vh1 n HIS 131 N 5.19 0.07 -4.03 3.97 8.25 -1.26 -4.60 115.22 122.81 1vh1 n HIS 131 Ca -0.12 0.02 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 1vh1 n HIS 131 Cb 0.50 -0.67 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 1vh1 n HIS 131 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1vh1 s ASN 132 N -4.85 5.86 0.36 0.41 2.20 -1.26 -4.78 114.94 112.88 1vh1 s ASN 132 Ca -0.08 -0.03 0.23 0.00 -0.94 0.00 0.00 52.86 52.04 1vh1 s ASN 132 Cb 0.11 -1.63 0.27 0.00 -2.00 0.00 0.00 41.25 38.00 1vh1 s ASN 132 CO 0.88 0.03 1.46 0.00 -2.94 0.00 0.00 177.10 176.54 1vh1 h ALA 133 N 2.06 0.86 -0.41 3.54 0.00 -1.90 -3.05 119.26 120.36 1vh1 h ALA 133 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1vh1 h ALA 133 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1vh1 h ALA 133 CO 0.64 0.00 0.07 1.05 0.00 0.00 0.00 179.25 181.01 1vh1 h GLU 134 N 0.00 0.67 -0.28 0.00 -0.00 -1.95 -1.65 114.58 111.38 1vh1 h GLU 134 Ca 0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 59.36 59.09 1vh1 h GLU 134 Cb 0.99 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.65 1vh1 h GLU 134 CO 0.00 0.71 -0.20 0.93 -0.00 0.00 0.00 179.01 180.45 1vh1 h GLU 135 N 0.52 0.63 -0.68 1.06 5.08 -1.92 -0.55 114.58 118.72 1vh1 h GLU 135 Ca 0.12 -0.30 0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1vh1 h GLU 135 Cb 0.36 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1vh1 h GLU 135 CO 0.01 0.90 0.45 0.00 -1.00 0.00 0.00 179.01 179.36 1vh1 h ALA 136 N 0.72 1.79 -0.36 3.43 0.00 -1.44 -0.29 119.26 123.11 1vh1 h ALA 136 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vh1 h ALA 136 Cb 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vh1 h ALA 136 CO 0.05 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.58 1vh1 n PHE 137 N -4.48 0.46 -3.21 0.00 3.01 -0.63 -4.46 117.46 108.16 1vh1 n PHE 137 Ca 0.10 -0.23 -0.40 0.00 1.01 0.00 0.00 57.45 57.93 1vh1 n PHE 137 Cb 0.27 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.66 1vh1 n PHE 137 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1vh1 s ASN 138 N -1.49 6.43 0.54 4.37 3.84 -0.12 -4.93 114.94 123.58 1vh1 s ASN 138 Ca 0.38 0.41 0.27 0.00 0.21 0.00 0.00 52.86 54.13 1vh1 s ASN 138 Cb 0.22 -2.29 1.54 0.00 -0.55 0.00 0.00 41.25 40.17 1vh1 s ASN 138 CO 0.31 -0.37 2.13 -0.65 -2.79 0.00 0.00 177.10 175.73 1vh1 h PRO 139 N 8.13 0.00 0.00 0.43 0.11 -1.84 0.09 132.00 138.91 1vh1 h PRO 139 Ca -0.28 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 1vh1 h PRO 139 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1vh1 h PRO 139 CO 0.75 0.08 -0.50 -0.91 -0.21 0.00 0.00 178.00 177.21 1vh1 h ASN 140 N 0.00 0.00 -3.33 -2.05 2.35 -1.91 -3.41 115.58 107.22 1vh1 h ASN 140 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 1vh1 h ASN 140 Cb 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1vh1 h ASN 140 CO 0.01 0.50 0.35 0.00 -1.65 0.00 0.00 177.43 176.63 1vh1 s ALA 141 N -3.72 3.40 -0.27 -0.83 0.00 0.02 -5.02 121.76 115.34 1vh1 s ALA 141 Ca -0.01 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 1vh1 s ALA 141 Cb 0.12 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1vh1 s ALA 141 CO 0.73 -0.45 0.28 0.08 0.00 0.00 0.00 175.76 176.40 1vh1 s VAL 142 N 1.62 5.25 0.22 0.00 1.01 -1.26 -4.75 120.40 122.50 1vh1 s VAL 142 Ca 0.42 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.66 1vh1 s VAL 142 Cb -0.18 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1vh1 s VAL 142 CO 0.17 0.22 0.57 -0.54 0.00 0.00 0.00 175.10 175.53 1vh1 s LYS 143 N 1.78 3.86 -0.01 2.72 3.01 -0.57 0.75 119.74 131.28 1vh1 s LYS 143 Ca 0.11 0.37 0.02 0.00 -1.01 0.00 0.00 55.97 55.46 1vh1 s LYS 143 Cb -0.16 -2.68 -0.00 0.00 -1.01 0.00 0.00 37.83 33.98 1vh1 s LYS 143 CO 0.10 0.33 -0.07 0.54 0.51 0.00 0.00 175.35 176.76 1vh1 s VAL 144 N -1.76 0.59 -0.14 3.17 0.11 -1.03 -0.87 120.40 120.46 1vh1 s VAL 144 Ca 0.46 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 1vh1 s VAL 144 Cb -0.12 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1vh1 s VAL 144 CO 0.20 0.17 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.26 1vh1 s VAL 145 N -0.11 2.33 0.09 2.04 1.01 -0.96 -4.30 120.40 120.50 1vh1 s VAL 145 Ca 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1vh1 s VAL 145 Cb -0.04 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1vh1 s VAL 145 CO -0.00 0.54 0.04 -0.76 0.00 0.00 0.00 175.10 174.92 1vh1 s LEU 146 N 0.72 3.62 0.94 3.92 1.02 -1.26 0.18 118.68 127.82 1vh1 s LEU 146 Ca -0.08 -0.11 -0.15 0.00 0.02 0.00 0.00 54.13 53.80 1vh1 s LEU 146 Cb -0.16 -2.32 0.18 0.00 0.02 0.00 0.00 46.19 43.90 1vh1 s LEU 146 CO 0.01 0.16 1.28 1.51 0.02 0.00 0.00 176.35 179.33 1vh1 s ASP 147 N -2.43 3.34 0.61 2.29 1.47 0.54 -4.82 116.67 117.67 1vh1 s ASP 147 Ca 0.28 0.42 0.30 0.00 1.18 0.00 0.00 52.55 54.72 1vh1 s ASP 147 Cb -0.12 -0.58 1.66 0.00 -0.34 0.00 0.00 42.92 43.54 1vh1 s ASP 147 CO 0.20 -2.61 2.02 0.00 0.68 0.00 0.00 175.17 175.47 1vh1 h ALA 148 N -1.55 1.74 -0.73 2.11 0.00 -2.01 -1.71 119.26 117.11 1vh1 h ALA 148 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1vh1 h ALA 148 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1vh1 h ALA 148 CO 0.45 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.69 1vh1 n GLU 149 N -3.52 2.86 -0.47 0.00 1.02 -1.26 -4.94 120.64 114.33 1vh1 n GLU 149 Ca 0.02 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 1vh1 n GLU 149 Cb 0.41 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1vh1 n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vh1 n GLY 150 N 1.60 0.74 3.75 0.62 0.00 -0.64 -4.92 105.19 106.33 1vh1 n GLY 150 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1vh1 n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vh1 s TYR 151 N -2.77 3.89 0.05 1.61 1.51 -1.26 -0.41 117.35 119.98 1vh1 s TYR 151 Ca 0.00 1.77 -0.30 0.00 -1.01 0.00 0.00 57.07 57.52 1vh1 s TYR 151 Cb 0.00 -2.93 -0.08 0.00 -0.11 0.00 0.00 41.96 38.84 1vh1 s TYR 151 CO 0.00 0.38 1.62 0.00 -1.11 0.00 0.00 175.55 176.44 1vh1 s ALA 152 N -0.72 3.66 0.08 3.71 0.00 -0.48 -0.34 121.76 127.67 1vh1 s ALA 152 Ca 0.41 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 1vh1 s ALA 152 Cb -0.24 -3.69 -0.23 0.00 0.00 0.00 0.00 23.12 18.97 1vh1 s ALA 152 CO 0.29 -1.11 1.20 -0.07 0.00 0.00 0.00 175.76 176.07 1vh1 h LEU 153 N 8.69 0.92 -7.00 0.00 4.07 0.16 -3.45 115.31 118.70 1vh1 h LEU 153 Ca -0.42 -0.73 0.11 0.00 0.08 0.00 0.00 57.88 56.93 1vh1 h LEU 153 Cb 1.20 -0.28 -0.23 0.00 1.08 0.00 0.00 40.66 42.43 1vh1 h LEU 153 CO 0.93 1.53 0.61 -0.47 -1.08 0.00 0.00 178.44 179.95 1vh1 s TYR 154 N -3.35 -0.31 0.09 1.13 6.14 -1.22 -5.03 117.35 114.80 1vh1 s TYR 154 Ca -0.10 0.50 0.08 0.00 0.64 0.00 0.00 57.07 58.18 1vh1 s TYR 154 Cb 0.07 0.47 -0.04 0.00 0.42 0.00 0.00 41.96 42.88 1vh1 s TYR 154 CO 0.92 -0.31 -0.16 -0.06 0.64 0.00 0.00 175.55 176.58 1vh1 s PHE 155 N -1.33 2.60 0.09 4.97 0.40 -1.26 -2.27 117.98 121.18 1vh1 s PHE 155 Ca 0.01 -0.23 -0.26 0.00 -0.60 0.00 0.00 56.93 55.85 1vh1 s PHE 155 Cb -0.01 -1.40 0.08 0.00 0.51 0.00 0.00 43.02 42.20 1vh1 s PHE 155 CO -0.01 0.36 0.82 0.45 0.70 0.00 0.00 175.22 177.55 1vh1 s SER 156 N -1.96 -0.36 0.02 1.36 0.15 -0.05 -4.98 113.70 107.88 1vh1 s SER 156 Ca 0.18 -0.14 0.25 0.00 0.70 0.00 0.00 55.95 56.95 1vh1 s SER 156 Cb -0.11 0.48 0.58 0.00 -1.71 0.00 0.00 66.02 65.27 1vh1 s SER 156 CO 0.10 -0.82 1.47 0.54 1.20 0.00 0.00 173.24 175.73 1vh1 n ARG 157 N -0.34 0.05 -1.63 5.44 1.74 -1.26 -1.52 116.66 119.14 1vh1 n ARG 157 Ca -0.10 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.70 1vh1 n ARG 157 Cb 0.62 -1.53 0.08 0.00 -1.02 0.00 0.00 32.46 30.60 1vh1 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vh1 s ALA 158 N -3.03 2.45 -0.65 7.54 0.00 -1.26 -4.27 121.76 122.53 1vh1 s ALA 158 Ca 0.11 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 1vh1 s ALA 158 Cb 0.17 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.24 1vh1 s ALA 158 CO 0.68 -1.53 1.08 0.99 0.00 0.00 0.00 175.76 176.98 1vh1 s THR 159 N -3.19 4.12 0.05 0.00 2.01 -1.26 -4.56 115.64 112.81 1vh1 s THR 159 Ca 0.60 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.75 1vh1 s THR 159 Cb -0.14 -4.73 -0.02 0.00 0.01 0.00 0.00 72.50 67.62 1vh1 s THR 159 CO 0.54 -1.50 -0.10 0.27 -0.69 0.00 0.00 174.62 173.13 1vh1 s ILE 160 N 4.64 0.77 0.52 1.82 -4.36 -1.26 -3.54 121.20 119.78 1vh1 s ILE 160 Ca 0.30 -1.06 -0.20 0.00 -0.26 0.00 0.00 60.65 59.42 1vh1 s ILE 160 Cb -0.12 -0.77 -0.07 0.00 1.25 0.00 0.00 42.46 42.75 1vh1 s ILE 160 CO 0.15 -0.24 1.12 -2.16 0.24 0.00 0.00 174.94 174.04 1vh1 s PRO 161 N -1.44 3.49 -0.12 0.37 0.04 -1.26 -4.60 135.00 131.48 1vh1 s PRO 161 Ca -0.05 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1vh1 s PRO 161 Cb -0.09 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1vh1 s PRO 161 CO 0.01 -0.73 1.19 -0.46 0.04 0.00 0.00 177.00 177.05 1vh1 s TRP 162 N -1.78 3.11 -0.92 0.56 -0.11 -1.23 -4.97 118.94 113.60 1vh1 s TRP 162 Ca 0.71 1.20 -0.18 0.00 1.22 0.00 0.00 56.10 59.06 1vh1 s TRP 162 Cb -0.23 -3.41 0.15 0.00 -1.50 0.00 0.00 33.47 28.48 1vh1 s TRP 162 CO 0.26 -1.25 1.07 0.34 -4.62 0.00 0.00 176.95 172.75 1vh1 s ASP 163 N 1.59 6.68 0.22 5.86 -1.08 -1.26 -4.94 116.67 123.74 1vh1 s ASP 163 Ca 0.53 -2.22 -0.09 0.00 -0.52 0.00 0.00 52.55 50.25 1vh1 s ASP 163 Cb -0.22 -2.36 0.20 0.00 -1.46 0.00 0.00 42.92 39.08 1vh1 s ASP 163 CO 0.17 -0.95 1.89 0.08 0.52 0.00 0.00 175.17 176.88 1vh1 h ARG 164 N 8.54 1.05 -0.21 4.34 -0.00 -1.98 -1.47 114.38 124.65 1vh1 h ARG 164 Ca 0.15 -0.06 -0.18 0.00 -0.00 0.00 0.00 59.98 59.89 1vh1 h ARG 164 Cb 1.02 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.97 30.75 1vh1 h ARG 164 CO 1.04 0.70 -0.58 -0.44 -0.00 0.00 0.00 179.97 180.69 1vh1 h ASP 165 N 1.09 0.77 -0.23 0.08 3.32 -2.00 -2.36 116.42 117.09 1vh1 h ASP 165 Ca 0.31 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1vh1 h ASP 165 Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1vh1 h ASP 165 CO -0.08 1.18 -0.04 -0.09 -1.72 0.00 0.00 179.24 178.49 1vh1 h ARG 166 N 0.52 0.43 0.00 3.56 2.43 -1.89 -2.98 114.38 116.44 1vh1 h ARG 166 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1vh1 h ARG 166 Cb 1.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1vh1 h ARG 166 CO 0.12 0.66 0.00 0.74 -1.51 0.00 0.00 179.97 179.97 1vh1 h PHE 167 N 0.17 0.00 -0.19 2.20 0.04 -1.28 -1.17 116.94 116.71 1vh1 h PHE 167 Ca 0.06 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 1vh1 h PHE 167 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1vh1 h PHE 167 CO 0.05 0.00 -0.29 0.00 -0.60 0.00 0.00 178.31 177.46 1vh1 h ALA 168 N 2.38 1.14 0.02 2.45 0.00 -1.27 -3.22 119.26 120.76 1vh1 h ALA 168 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vh1 h ALA 168 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vh1 h ALA 168 CO 0.00 0.55 -0.01 1.05 0.00 0.00 0.00 179.25 180.84 1vh1 h GLU 169 N 0.33 -0.02 -1.45 0.00 4.11 -1.34 -3.50 114.58 112.71 1vh1 h GLU 169 Ca 0.05 0.00 0.27 0.00 0.07 0.00 0.00 59.36 59.74 1vh1 h GLU 169 Cb 0.69 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.76 1vh1 h GLU 169 CO 0.05 0.69 0.82 0.20 0.07 0.00 0.00 179.01 180.84 1vh1 s GLY 170 N -3.93 -0.30 -0.20 1.06 0.00 -0.52 -5.04 107.32 98.40 1vh1 s GLY 170 Ca -0.14 1.50 0.15 0.00 0.00 0.00 0.00 44.72 46.23 1vh1 s GLY 170 CO 0.53 0.48 1.40 1.04 0.00 0.00 0.00 173.10 176.55 1vh1 n LEU 171 N -0.14 3.79 -1.65 0.66 4.32 -1.26 -3.92 117.00 118.80 1vh1 n LEU 171 Ca -0.00 -3.18 0.09 0.00 -0.02 0.00 0.00 56.01 52.89 1vh1 n LEU 171 Cb 0.59 -0.55 0.37 0.00 -1.62 0.00 0.00 43.42 42.20 1vh1 n LEU 171 CO 0.09 0.80 0.83 -0.62 -1.22 0.00 0.00 177.39 177.27 1vh1 n GLU 172 N -0.74 4.00 -3.63 3.23 1.02 -1.26 -4.89 120.64 118.37 1vh1 n GLU 172 Ca 0.23 -2.96 -0.11 0.00 -0.02 0.00 0.00 57.16 54.30 1vh1 n GLU 172 Cb 0.90 -1.98 -0.07 0.00 -0.02 0.00 0.00 31.44 30.27 1vh1 n GLU 172 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1vh1 s THR 173 N -2.07 0.00 0.41 2.62 -1.32 -1.26 -4.80 115.64 109.22 1vh1 s THR 173 Ca 0.52 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.07 1vh1 s THR 173 Cb 0.35 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 70.26 1vh1 s THR 173 CO 0.23 0.00 0.01 0.68 -2.21 0.00 0.00 174.62 173.33 1vh1 s VAL 174 N 0.30 1.92 0.00 5.08 -7.23 -1.26 -4.96 120.40 114.26 1vh1 s VAL 174 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1vh1 s VAL 174 Cb -0.05 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1vh1 s VAL 174 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1vh1 n GLY 175 N -0.97 1.45 1.08 2.32 0.00 -1.26 -5.00 105.19 102.80 1vh1 n GLY 175 Ca -0.06 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.24 1vh1 n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vh1 n ASP 176 N 0.00 4.07 -1.25 1.61 10.43 -1.26 -4.56 116.55 125.58 1vh1 n ASP 176 Ca 0.00 -2.71 0.11 0.00 2.57 0.00 0.00 54.79 54.76 1vh1 n ASP 176 Cb 0.00 -0.50 0.30 0.00 1.84 0.00 0.00 41.12 42.75 1vh1 n ASP 176 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1vh1 n ASN 177 N 0.09 3.63 -4.88 -2.24 0.23 -1.26 -4.94 115.26 105.89 1vh1 n ASN 177 Ca 0.21 -2.00 -0.35 0.00 -0.53 0.00 0.00 54.58 51.91 1vh1 n ASN 177 Cb 0.84 -0.44 -0.05 0.00 -2.08 0.00 0.00 39.78 38.04 1vh1 n ASN 177 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1vh1 s PHE 178 N -1.11 3.59 -0.07 -2.53 0.40 -1.26 -4.62 117.98 112.38 1vh1 s PHE 178 Ca 0.45 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 1vh1 s PHE 178 Cb 0.24 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.75 1vh1 s PHE 178 CO 0.31 0.61 -0.05 -0.51 0.70 0.00 0.00 175.22 176.28 1vh1 s LEU 179 N -1.68 1.11 -0.21 -0.37 1.43 -1.26 -2.28 118.68 115.41 1vh1 s LEU 179 Ca 0.27 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 1vh1 s LEU 179 Cb -0.14 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 1vh1 s LEU 179 CO 0.15 -0.10 0.62 -0.60 0.23 0.00 0.00 176.35 176.65 1vh1 s ARG 180 N 1.38 4.19 0.24 1.70 3.52 0.17 -2.46 118.95 127.68 1vh1 s ARG 180 Ca -0.03 0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 55.86 1vh1 s ARG 180 Cb -0.13 -3.59 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 1vh1 s ARG 180 CO -0.03 -0.27 1.10 -1.58 -0.81 0.00 0.00 175.30 173.70 1vh1 s HIS 181 N 2.03 3.60 -0.13 5.12 5.65 0.23 -0.38 115.29 131.41 1vh1 s HIS 181 Ca 0.28 1.66 -0.03 0.00 0.25 0.00 0.00 55.06 57.21 1vh1 s HIS 181 Cb -0.16 -3.27 -0.03 0.00 -1.18 0.00 0.00 32.58 27.94 1vh1 s HIS 181 CO 0.10 -0.55 0.00 -0.51 -0.65 0.00 0.00 174.74 173.12 1vh1 s LEU 182 N -0.99 3.52 0.00 8.88 1.43 -0.41 -4.68 118.68 126.43 1vh1 s LEU 182 Ca 0.46 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1vh1 s LEU 182 Cb -0.31 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1vh1 s LEU 182 CO 0.38 0.27 0.45 0.61 0.23 0.00 0.00 176.35 178.29 1vh1 n GLY 183 N 2.85 0.98 3.56 -3.19 0.00 -1.26 -4.41 105.19 103.72 1vh1 n GLY 183 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1vh1 n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vh1 s ILE 184 N -0.04 4.85 0.17 -0.61 2.07 -1.26 -4.90 121.20 121.47 1vh1 s ILE 184 Ca 0.00 0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.35 1vh1 s ILE 184 Cb 0.00 -3.26 -0.04 0.00 0.13 0.00 0.00 42.46 39.29 1vh1 s ILE 184 CO 0.00 0.35 -0.23 -0.31 -1.91 0.00 0.00 174.94 172.83 1vh1 s TYR 185 N 1.25 2.17 -0.04 3.50 1.51 -1.22 -4.28 117.35 120.23 1vh1 s TYR 185 Ca 0.06 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1vh1 s TYR 185 Cb -0.14 -1.11 -0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1vh1 s TYR 185 CO 0.05 0.41 -0.16 0.20 -1.11 0.00 0.00 175.55 174.94 1vh1 s GLY 186 N -2.46 0.85 -0.00 0.71 0.00 0.93 -1.11 107.32 106.23 1vh1 s GLY 186 Ca 0.17 -0.62 -0.28 0.00 0.00 0.00 0.00 44.72 43.99 1vh1 s GLY 186 CO 0.08 -0.30 0.80 -2.52 0.00 0.00 0.00 173.10 171.16 1vh1 s TYR 187 N 0.07 -0.45 0.43 1.90 -0.00 -0.91 -0.37 117.35 118.02 1vh1 s TYR 187 Ca -0.04 0.48 -0.14 0.00 -0.00 0.00 0.00 57.07 57.37 1vh1 s TYR 187 Cb -0.11 0.50 -0.08 0.00 -0.00 0.00 0.00 41.96 42.28 1vh1 s TYR 187 CO 0.02 -0.59 0.85 1.03 -0.00 0.00 0.00 175.55 176.86 1vh1 s ARG 188 N -2.56 3.90 0.26 -3.49 0.52 -1.26 -1.57 118.95 114.74 1vh1 s ARG 188 Ca -0.00 0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 55.88 1vh1 s ARG 188 Cb -0.01 -2.29 0.38 0.00 0.52 0.00 0.00 34.95 33.55 1vh1 s ARG 188 CO -0.05 -0.09 1.86 0.00 0.02 0.00 0.00 175.30 177.05 1vh1 h ALA 189 N 1.33 1.31 -0.72 2.13 0.00 -0.70 -1.11 119.26 121.49 1vh1 h ALA 189 Ca -0.47 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.53 1vh1 h ALA 189 Cb 1.18 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1vh1 h ALA 189 CO 0.63 0.35 0.35 0.78 0.00 0.00 0.00 179.25 181.36 1vh1 h GLY 190 N 1.07 1.09 0.66 0.00 0.00 -1.24 -2.19 103.07 102.47 1vh1 h GLY 190 Ca 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1vh1 h GLY 190 CO -0.18 0.03 -0.07 -2.75 0.00 0.00 0.00 176.54 173.58 1vh1 h PHE 191 N 0.58 -0.17 -0.52 5.60 3.57 -1.50 -3.12 116.94 121.38 1vh1 h PHE 191 Ca 0.36 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.96 1vh1 h PHE 191 Cb 0.42 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.11 1vh1 h PHE 191 CO -0.11 0.17 -0.19 0.82 -2.23 0.00 0.00 178.31 176.76 1vh1 h ILE 192 N -0.52 0.38 0.00 1.41 2.04 -1.19 0.46 117.51 120.09 1vh1 h ILE 192 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1vh1 h ILE 192 Cb 0.41 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1vh1 h ILE 192 CO 0.03 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.07 1vh1 n ARG 193 N -5.40 0.12 -0.14 2.37 1.85 -0.84 -2.18 116.66 112.45 1vh1 n ARG 193 Ca 0.05 0.18 -0.27 0.00 -1.00 0.00 0.00 57.85 56.81 1vh1 n ARG 193 Cb 0.31 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.11 1vh1 n ARG 193 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1vh1 n ARG 194 N -1.38 0.60 -0.29 2.89 1.74 -0.11 -4.41 116.66 115.71 1vh1 n ARG 194 Ca 0.06 0.23 0.07 0.00 -0.77 0.00 0.00 57.85 57.44 1vh1 n ARG 194 Cb 0.15 -1.49 0.17 0.00 -1.02 0.00 0.00 32.46 30.27 1vh1 n ARG 194 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1vh1 h TYR 195 N -0.76 -0.18 0.00 -1.55 3.20 0.10 -0.52 116.97 117.26 1vh1 h TYR 195 Ca -0.67 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.26 1vh1 h TYR 195 Cb 1.68 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 40.16 1vh1 h TYR 195 CO -0.06 -0.32 -0.00 -0.39 -1.64 0.00 0.00 178.16 175.75 1vh1 h VAL 196 N 0.05 0.02 -0.02 1.81 -1.51 -1.65 -2.27 116.25 112.69 1vh1 h VAL 196 Ca 0.45 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 1vh1 h VAL 196 Cb 0.80 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1vh1 h VAL 196 CO -0.79 0.00 -0.20 0.59 -1.23 0.00 0.00 177.57 175.94 1vh1 n ASN 197 N -3.11 2.34 -4.77 4.19 3.02 -0.21 -4.97 115.26 111.75 1vh1 n ASN 197 Ca -0.02 -1.67 -0.40 0.00 -0.03 0.00 0.00 54.58 52.45 1vh1 n ASN 197 Cb 0.11 0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.52 1vh1 n ASN 197 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1vh1 s TRP 198 N -2.00 2.53 -0.01 3.10 0.51 -0.86 -4.91 118.94 117.30 1vh1 s TRP 198 Ca 0.21 1.23 -0.30 0.00 -2.12 0.00 0.00 56.10 55.12 1vh1 s TRP 198 Cb 0.17 -3.95 -0.05 0.00 -0.81 0.00 0.00 33.47 28.82 1vh1 s TRP 198 CO 0.38 -2.92 1.41 -1.14 -0.51 0.00 0.00 176.95 174.17 1vh1 s GLN 199 N -2.29 4.28 -0.01 4.98 0.74 -1.26 -4.89 119.66 121.20 1vh1 s GLN 199 Ca 0.57 1.97 -0.39 0.00 0.05 0.00 0.00 55.36 57.57 1vh1 s GLN 199 Cb -0.45 -3.59 -0.18 0.00 1.10 0.00 0.00 33.01 29.89 1vh1 s GLN 199 CO 0.59 -0.59 1.31 -0.35 -0.55 0.00 0.00 175.29 175.70 1vh1 n PRO 200 N 5.47 0.72 -2.43 1.67 -0.04 -1.26 -4.91 135.00 134.21 1vh1 n PRO 200 Ca 0.13 0.26 -0.38 0.00 -0.04 0.00 0.00 63.50 63.47 1vh1 n PRO 200 Cb 0.44 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1vh1 n PRO 200 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vh1 s SER 201 N 0.81 6.82 0.41 3.54 0.15 -1.26 -4.96 113.70 119.21 1vh1 s SER 201 Ca 0.89 2.21 0.11 0.00 0.70 0.00 0.00 55.95 59.87 1vh1 s SER 201 Cb -1.10 -2.61 0.85 0.00 -1.71 0.00 0.00 66.02 61.45 1vh1 s SER 201 CO 0.54 -0.46 1.94 1.55 1.20 0.00 0.00 173.24 178.01 1vh1 h PRO 202 N 2.93 0.17 -0.16 5.44 0.13 -1.98 -2.91 132.00 135.61 1vh1 h PRO 202 Ca -0.48 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1vh1 h PRO 202 Cb 1.22 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1vh1 h PRO 202 CO 0.64 0.32 0.05 1.25 -0.23 0.00 0.00 178.00 180.02 1vh1 h LEU 203 N 0.16 0.24 -1.00 1.56 5.85 -1.94 -3.08 115.31 117.10 1vh1 h LEU 203 Ca 0.03 -0.21 0.23 0.00 0.84 0.00 0.00 57.88 58.77 1vh1 h LEU 203 Cb 0.35 -0.06 -0.19 0.00 0.37 0.00 0.00 40.66 41.13 1vh1 h LEU 203 CO 0.02 0.39 -0.12 1.21 -0.34 0.00 0.00 178.44 179.60 1vh1 n GLU 204 N -4.83 -0.08 0.07 1.25 2.13 -1.10 -1.27 120.64 116.82 1vh1 n GLU 204 Ca -0.05 1.52 -0.15 0.00 0.66 0.00 0.00 57.16 59.15 1vh1 n GLU 204 Cb 0.15 -2.34 -0.07 0.00 0.27 0.00 0.00 31.44 29.45 1vh1 n GLU 204 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1vh1 h HIS 205 N 0.00 0.64 0.36 4.31 2.76 -1.57 -2.37 115.15 119.28 1vh1 h HIS 205 Ca 0.54 -0.37 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1vh1 h HIS 205 Cb 0.97 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1vh1 h HIS 205 CO -0.64 1.21 -0.17 0.82 -1.30 0.00 0.00 177.93 177.84 1vh1 h ILE 206 N 0.22 0.62 0.00 6.26 2.04 -1.10 -3.46 117.51 122.09 1vh1 h ILE 206 Ca -0.10 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1vh1 h ILE 206 Cb 1.67 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1vh1 h ILE 206 CO 0.18 0.09 0.00 -0.62 0.00 0.00 0.00 178.15 177.80 1vh1 n GLU 207 N -5.18 0.00 0.00 2.37 -0.58 -0.67 -5.13 120.64 111.44 1vh1 n GLU 207 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1vh1 n GLU 207 Cb 0.27 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 1vh1 n GLU 207 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1vh1 n LEU 209 N -0.20 0.00 0.11 -4.62 4.77 -0.89 -4.83 117.00 111.33 1vh1 n LEU 209 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1vh1 n LEU 209 Cb 0.00 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.44 1vh1 n LEU 209 CO 0.00 0.00 0.79 1.05 -1.33 0.00 0.00 177.39 177.90 1vh1 h GLU 210 N 0.00 0.00 0.00 3.23 -0.00 -1.98 -3.11 114.58 112.72 1vh1 h GLU 210 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1vh1 h GLU 210 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1vh1 h GLU 210 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 179.01 178.45 1vh1 h GLN 211 N 0.00 0.00 0.00 1.06 -0.00 -2.01 -2.52 115.11 111.64 1vh1 h GLN 211 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1vh1 h GLN 211 Cb 0.76 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.24 1vh1 h GLN 211 CO 0.00 0.00 -0.03 -0.07 -0.00 0.00 0.00 178.83 178.73 1vh1 h LEU 212 N 0.00 0.00 -0.88 0.06 3.38 -1.93 -0.73 115.31 115.21 1vh1 h LEU 212 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1vh1 h LEU 212 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1vh1 h LEU 212 CO 0.00 0.03 0.49 -0.09 0.09 0.00 0.00 178.44 178.96 1vh1 h ARG 213 N 0.00 1.23 -0.27 1.13 2.43 -1.67 0.93 114.38 118.16 1vh1 h ARG 213 Ca -0.00 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1vh1 h ARG 213 Cb 0.11 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1vh1 h ARG 213 CO 0.00 0.89 0.07 0.28 -1.51 0.00 0.00 179.97 179.71 1vh1 h VAL 214 N 1.23 1.21 -0.50 0.20 2.07 -1.31 -2.55 116.25 116.59 1vh1 h VAL 214 Ca 0.31 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1vh1 h VAL 214 Cb 0.02 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1vh1 h VAL 214 CO -0.05 0.22 0.13 -0.07 0.02 0.00 0.00 177.57 177.82 1vh1 h LEU 215 N 0.26 0.75 -1.46 2.57 3.38 -1.49 -0.28 115.31 119.05 1vh1 h LEU 215 Ca 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1vh1 h LEU 215 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1vh1 h LEU 215 CO -0.00 0.78 0.28 -0.25 0.09 0.00 0.00 178.44 179.34 1vh1 h TRP 216 N 0.69 0.62 -0.12 1.13 7.01 -0.76 -1.47 115.95 123.05 1vh1 h TRP 216 Ca 0.16 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1vh1 h TRP 216 Cb 0.32 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1vh1 h TRP 216 CO 0.02 0.42 0.00 0.66 -2.79 0.00 0.00 178.44 176.75 1vh1 n TYR 217 N -4.43 0.15 -0.68 2.65 4.02 -0.97 -4.88 117.16 113.02 1vh1 n TYR 217 Ca 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1vh1 n TYR 217 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1vh1 n TYR 217 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vh1 n GLY 218 N 0.90 0.64 3.99 2.72 0.00 -0.55 -5.06 105.19 107.82 1vh1 n GLY 218 Ca 0.12 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1vh1 n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vh1 s GLU 219 N -0.59 2.90 0.13 1.61 0.41 -0.13 -5.02 118.70 118.01 1vh1 s GLU 219 Ca 0.00 -0.94 0.04 0.00 -0.41 0.00 0.00 54.97 53.67 1vh1 s GLU 219 Cb 0.00 -2.69 -0.04 0.00 -1.78 0.00 0.00 34.13 29.62 1vh1 s GLU 219 CO 0.00 -0.26 0.10 0.15 -0.49 0.00 0.00 175.26 174.76 1vh1 s LYS 220 N -4.42 2.85 -0.24 1.61 1.02 -1.26 -4.03 119.74 115.28 1vh1 s LYS 220 Ca 0.51 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1vh1 s LYS 220 Cb -0.10 -2.66 0.06 0.00 -0.52 0.00 0.00 37.83 34.62 1vh1 s LYS 220 CO 0.34 0.52 -0.04 0.42 -0.92 0.00 0.00 175.35 175.67 1vh1 s ILE 221 N -1.58 1.50 0.26 2.17 1.01 -1.26 -2.98 121.20 120.32 1vh1 s ILE 221 Ca 0.30 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1vh1 s ILE 221 Cb -0.11 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 1vh1 s ILE 221 CO 0.22 -0.14 1.04 -2.28 0.00 0.00 0.00 174.94 173.78 1vh1 s HIS 222 N 1.40 3.73 -0.05 3.97 5.65 -1.26 -1.38 115.29 127.35 1vh1 s HIS 222 Ca -0.05 1.78 0.02 0.00 0.25 0.00 0.00 55.06 57.06 1vh1 s HIS 222 Cb -0.19 -3.17 0.01 0.00 -1.18 0.00 0.00 32.58 28.05 1vh1 s HIS 222 CO -0.07 -0.18 -0.09 0.08 -0.65 0.00 0.00 174.74 173.83 1vh1 s VAL 223 N -1.15 0.86 0.16 0.89 1.01 0.46 0.46 120.40 123.08 1vh1 s VAL 223 Ca 0.43 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1vh1 s VAL 223 Cb -0.30 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1vh1 s VAL 223 CO 0.38 0.29 -0.12 0.00 0.00 0.00 0.00 175.10 175.65 1vh1 s ALA 224 N 0.60 1.63 -0.10 5.51 0.00 -0.58 -4.63 121.76 124.19 1vh1 s ALA 224 Ca -0.10 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 1vh1 s ALA 224 Cb -0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1vh1 s ALA 224 CO 0.02 -0.04 1.36 0.08 0.00 0.00 0.00 175.76 177.19 1vh1 s VAL 225 N -3.16 4.03 0.33 0.00 1.01 -1.26 -0.60 120.40 120.75 1vh1 s VAL 225 Ca 0.18 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 1vh1 s VAL 225 Cb 0.01 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 1vh1 s VAL 225 CO 0.03 -0.08 1.19 0.00 0.00 0.00 0.00 175.10 176.24 1vh1 n ALA 226 N 6.36 0.78 0.39 5.51 0.00 0.18 -4.82 120.51 128.91 1vh1 n ALA 226 Ca 0.14 0.37 0.12 0.00 0.00 0.00 0.00 53.44 54.07 1vh1 n ALA 226 Cb 0.44 -2.17 0.50 0.00 0.00 0.00 0.00 19.45 18.21 1vh1 n ALA 226 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1vh1 n GLN 227 N 0.60 0.20 -3.72 0.00 7.27 -1.26 -4.68 117.38 115.79 1vh1 n GLN 227 Ca 0.06 0.43 -0.13 0.00 0.07 0.00 0.00 57.00 57.43 1vh1 n GLN 227 Cb 0.35 -1.88 -0.10 0.00 2.41 0.00 0.00 30.24 31.02 1vh1 n GLN 227 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1vh1 s GLU 228 N -3.32 0.53 -0.28 3.69 2.12 -1.26 -5.03 118.70 115.14 1vh1 s GLU 228 Ca 0.04 0.60 -0.28 0.00 0.36 0.00 0.00 54.97 55.69 1vh1 s GLU 228 Cb 0.09 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.75 1vh1 s GLU 228 CO 0.39 -0.07 1.00 0.08 -0.54 0.00 0.00 175.26 176.13 1vh1 s VAL 229 N 0.19 4.64 0.22 3.70 1.01 -1.26 -4.93 120.40 123.96 1vh1 s VAL 229 Ca -0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 1vh1 s VAL 229 Cb -0.03 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1vh1 s VAL 229 CO 0.01 -0.31 1.17 -2.16 0.00 0.00 0.00 175.10 173.82 1vh1 s PRO 230 N 3.33 4.53 0.49 2.72 0.05 -1.26 -4.97 135.00 139.88 1vh1 s PRO 230 Ca 0.42 1.87 -0.22 0.00 0.05 0.00 0.00 61.00 63.13 1vh1 s PRO 230 Cb -0.14 -3.22 -0.07 0.00 0.05 0.00 0.00 34.50 31.12 1vh1 s PRO 230 CO 0.11 -0.01 1.14 0.20 0.05 0.00 0.00 177.00 178.49 1vh1 s GLY 231 N -0.18 2.71 0.70 0.56 0.00 -1.26 -4.98 107.32 104.86 1vh1 s GLY 231 Ca 0.50 0.86 -0.12 0.00 0.00 0.00 0.00 44.72 45.96 1vh1 s GLY 231 CO 0.39 1.28 1.08 -0.51 0.00 0.00 0.00 173.10 175.34 1vh1 s THR 232 N -1.65 3.60 0.85 0.90 -4.23 -1.26 -4.81 115.64 109.03 1vh1 s THR 232 Ca 0.66 0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 61.65 1vh1 s THR 232 Cb -0.26 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.61 1vh1 s THR 232 CO 0.31 -0.60 0.46 0.61 -0.54 0.00 0.00 174.62 174.85 1vh1 n GLY 233 N -1.26 -3.09 2.84 3.99 0.00 -1.26 -4.97 105.19 101.43 1vh1 n GLY 233 Ca 0.09 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1vh1 n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vh1 s VAL 234 N -1.64 1.20 0.00 1.61 1.01 -0.37 -4.87 120.40 117.34 1vh1 s VAL 234 Ca 0.35 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1vh1 s VAL 234 Cb -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1vh1 s VAL 234 CO 0.30 -0.35 0.00 -0.90 0.00 0.00 0.00 175.10 174.14 1vh1 n ASP 235 N 4.76 0.61 -4.89 3.32 3.85 -1.26 -4.85 116.55 118.10 1vh1 n ASP 235 Ca -0.07 -0.04 -0.36 0.00 -0.71 0.00 0.00 54.79 53.62 1vh1 n ASP 235 Cb 0.44 0.20 -0.06 0.00 -1.35 0.00 0.00 41.12 40.35 1vh1 n ASP 235 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1vh1 s THR 236 N -0.32 5.48 0.51 2.12 -1.32 -1.26 -3.97 115.64 116.87 1vh1 s THR 236 Ca 0.00 0.09 0.19 0.00 -1.21 0.00 0.00 61.69 60.76 1vh1 s THR 236 Cb 0.00 -3.45 0.32 0.00 -1.51 0.00 0.00 72.50 67.87 1vh1 s THR 236 CO 0.00 0.52 2.07 1.55 -2.21 0.00 0.00 174.62 176.55 1vh1 h PRO 237 N 4.60 0.08 -0.18 7.08 0.13 -1.98 0.31 132.00 142.04 1vh1 h PRO 237 Ca -0.53 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.42 1vh1 h PRO 237 Cb 1.22 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vh1 h PRO 237 CO 0.62 0.05 -0.61 0.93 -0.23 0.00 0.00 178.00 178.76 1vh1 h GLU 238 N 0.08 0.61 -0.47 0.86 5.08 -1.96 -2.54 114.58 116.23 1vh1 h GLU 238 Ca 0.13 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1vh1 h GLU 238 Cb 0.44 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1vh1 h GLU 238 CO -0.01 1.03 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.51 1vh1 h ASP 239 N 0.45 0.83 -0.20 1.42 3.32 -0.93 -1.85 116.42 119.47 1vh1 h ASP 239 Ca -0.00 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1vh1 h ASP 239 Cb 1.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1vh1 h ASP 239 CO 0.12 0.95 0.06 0.25 -1.72 0.00 0.00 179.24 178.89 1vh1 h LEU 240 N 0.77 0.30 -0.72 1.55 5.85 -0.58 -1.71 115.31 120.76 1vh1 h LEU 240 Ca 0.13 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 1vh1 h LEU 240 Cb 0.58 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1vh1 h LEU 240 CO 0.04 0.44 0.19 -0.33 -0.34 0.00 0.00 178.44 178.44 1vh1 h GLU 241 N 0.15 1.15 0.37 1.25 4.39 -1.32 0.36 114.58 120.93 1vh1 h GLU 241 Ca 0.06 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1vh1 h GLU 241 Cb 0.25 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1vh1 h GLU 241 CO -0.00 1.00 -0.45 -0.09 -1.16 0.00 0.00 179.01 178.31 1vh1 h ARG 242 N 1.09 -0.81 -0.75 2.33 2.43 -1.23 0.13 114.38 117.57 1vh1 h ARG 242 Ca 0.23 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.57 1vh1 h ARG 242 Cb 0.36 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 1vh1 h ARG 242 CO -0.00 -0.54 0.36 0.28 -1.51 0.00 0.00 179.97 178.56 1vh1 h VAL 243 N -0.84 0.79 -0.79 0.20 2.07 -1.25 0.52 116.25 116.95 1vh1 h VAL 243 Ca -0.05 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1vh1 h VAL 243 Cb 0.75 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 1vh1 h VAL 243 CO -0.10 0.11 0.38 0.03 0.02 0.00 0.00 177.57 178.01 1vh1 h ARG 244 N 0.58 0.57 -0.29 1.57 2.47 -0.44 -2.22 114.38 116.61 1vh1 h ARG 244 Ca 0.39 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.88 1vh1 h ARG 244 Cb 0.47 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1vh1 h ARG 244 CO -0.31 0.37 -0.55 0.00 0.56 0.00 0.00 179.97 180.04 1vh1 h ALA 245 N 1.51 0.46 0.00 0.04 0.00 0.27 -3.46 119.26 118.08 1vh1 h ALA 245 Ca 0.42 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vh1 h ALA 245 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vh1 h ALA 245 CO -0.34 0.68 0.00 0.39 0.00 0.00 0.00 179.25 179.98