#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs1 s LYS 2 N 0.00 4.78 -0.08 4.33 1.02 -0.73 -4.96 119.74 124.10 1bs1 s LYS 2 Ca 0.00 1.60 -0.08 0.00 0.02 0.00 0.00 55.97 57.52 1bs1 s LYS 2 Cb 0.00 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1bs1 s LYS 2 CO 0.00 0.41 0.22 -0.98 -0.92 0.00 0.00 175.35 174.08 1bs1 s ARG 3 N -1.28 0.25 0.01 1.68 1.70 -1.26 -0.91 118.95 119.15 1bs1 s ARG 3 Ca 0.42 0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.98 1bs1 s ARG 3 Cb -0.28 0.12 -0.01 0.00 -0.57 0.00 0.00 34.95 34.22 1bs1 s ARG 3 CO 0.35 -0.03 -0.03 0.71 -1.08 0.00 0.00 175.30 175.22 1bs1 s TYR 4 N 0.10 0.26 -0.20 5.89 2.02 -0.65 -4.32 117.35 120.46 1bs1 s TYR 4 Ca -0.00 -0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1bs1 s TYR 4 Cb -0.02 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 1bs1 s TYR 4 CO 0.00 -0.04 0.05 0.12 -1.57 0.00 0.00 175.55 174.11 1bs1 s PHE 5 N -0.45 3.18 -0.27 2.71 5.36 -0.07 -0.26 117.98 128.18 1bs1 s PHE 5 Ca -0.03 -0.09 -0.10 0.00 -0.96 0.00 0.00 56.93 55.75 1bs1 s PHE 5 Cb -0.03 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1bs1 s PHE 5 CO -0.00 0.00 0.15 0.08 -1.46 0.00 0.00 175.22 173.99 1bs1 s VAL 6 N 0.68 4.97 0.50 3.12 1.01 0.26 -0.23 120.40 130.71 1bs1 s VAL 6 Ca 0.03 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1bs1 s VAL 6 Cb -0.13 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1bs1 s VAL 6 CO 0.02 0.28 0.14 0.28 0.00 0.00 0.00 175.10 175.82 1bs1 s THR 7 N 1.70 1.53 0.14 3.92 -1.32 -0.49 -1.67 115.64 119.45 1bs1 s THR 7 Ca 0.07 -1.81 -0.02 0.00 -1.21 0.00 0.00 61.69 58.72 1bs1 s THR 7 Cb -0.16 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 1bs1 s THR 7 CO 0.08 0.00 0.09 -0.83 -2.21 0.00 0.00 174.62 171.76 1bs1 s GLY 8 N -3.98 0.98 0.07 6.08 0.00 -1.26 -0.74 107.32 108.47 1bs1 s GLY 8 Ca 0.21 -1.43 0.16 0.00 0.00 0.00 0.00 44.72 43.67 1bs1 s GLY 8 CO 0.12 -1.30 1.52 -1.30 0.00 0.00 0.00 173.10 172.13 1bs1 n THR 9 N -0.13 0.99 -3.99 0.90 -2.24 -0.92 -4.25 114.28 104.63 1bs1 n THR 9 Ca -0.05 0.26 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 1bs1 n THR 9 Cb 0.64 -1.07 0.01 0.00 -2.10 0.00 0.00 70.33 67.81 1bs1 n THR 9 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1bs1 n ASP 10 N -1.70 -1.05 -4.86 3.42 2.03 -1.26 -4.90 116.55 108.22 1bs1 n ASP 10 Ca 0.03 -1.21 -0.31 0.00 0.52 0.00 0.00 54.79 53.82 1bs1 n ASP 10 Cb 0.18 1.63 -0.01 0.00 -0.72 0.00 0.00 41.12 42.19 1bs1 n ASP 10 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1bs1 s THR 11 N -2.03 4.66 -1.17 5.18 -1.32 -1.26 -4.30 115.64 115.39 1bs1 s THR 11 Ca 0.27 0.95 -0.07 0.00 -1.21 0.00 0.00 61.69 61.63 1bs1 s THR 11 Cb -0.01 -3.80 0.01 0.00 -1.51 0.00 0.00 72.50 67.19 1bs1 s THR 11 CO -0.01 -0.90 1.02 1.21 -2.21 0.00 0.00 174.62 173.74 1bs1 n GLU 12 N -2.13 -6.85 0.00 7.08 4.07 -1.26 -4.92 120.64 116.62 1bs1 n GLU 12 Ca 0.06 0.73 0.01 0.00 -0.06 0.00 0.00 57.16 57.90 1bs1 n GLU 12 Cb 0.54 -5.48 -0.00 0.00 -0.06 0.00 0.00 31.44 26.44 1bs1 n GLU 12 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1bs1 n VAL 13 N -4.56 0.00 0.00 6.31 0.24 -1.26 -5.02 118.33 114.04 1bs1 n VAL 13 Ca -0.03 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1bs1 n VAL 13 Cb 0.57 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1bs1 n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs1 n GLY 14 N 0.62 1.46 0.17 7.63 0.00 -1.26 -3.96 105.19 109.84 1bs1 n GLY 14 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1bs1 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bs1 h LYS 15 N 0.80 0.00 -0.11 1.61 1.57 -1.91 0.15 116.57 118.68 1bs1 h LYS 15 Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bs1 h LYS 15 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1bs1 h LYS 15 CO 0.00 0.00 0.05 1.15 -0.57 0.00 0.00 179.45 180.09 1bs1 h THR 16 N 0.01 1.11 -0.40 -0.16 2.02 -1.97 0.26 112.91 113.77 1bs1 h THR 16 Ca 0.19 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1bs1 h THR 16 Cb 0.29 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1bs1 h THR 16 CO -0.41 0.10 0.26 0.58 0.37 0.00 0.00 175.52 176.42 1bs1 h VAL 17 N 0.06 1.12 -0.46 3.16 2.07 -1.87 -0.98 116.25 119.34 1bs1 h VAL 17 Ca 0.04 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1bs1 h VAL 17 Cb 0.11 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1bs1 h VAL 17 CO -0.00 0.12 0.02 0.00 0.02 0.00 0.00 177.57 177.72 1bs1 h ALA 18 N 1.13 1.18 -0.58 1.67 0.00 -0.61 -2.07 119.26 119.97 1bs1 h ALA 18 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1bs1 h ALA 18 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1bs1 h ALA 18 CO -0.03 0.54 0.14 0.77 0.00 0.00 0.00 179.25 180.67 1bs1 h SER 19 N 0.70 0.84 -0.65 0.00 0.02 0.06 -0.66 113.55 113.86 1bs1 h SER 19 Ca 0.14 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1bs1 h SER 19 Cb 0.39 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1bs1 h SER 19 CO 0.01 0.82 0.16 0.00 -1.14 0.00 0.00 176.83 176.69 1bs1 h ALA 21 N 1.16 0.83 -0.22 0.00 0.00 -0.76 -0.59 119.26 119.68 1bs1 h ALA 21 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bs1 h ALA 21 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1bs1 h ALA 21 CO 0.00 0.56 0.12 -0.07 0.00 0.00 0.00 179.25 179.86 1bs1 h LEU 22 N 0.93 0.28 -0.75 0.00 3.38 -0.82 -1.10 115.31 117.24 1bs1 h LEU 22 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bs1 h LEU 22 Cb 0.39 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1bs1 h LEU 22 CO 0.01 0.29 0.48 -0.07 0.09 0.00 0.00 178.44 179.24 1bs1 h LEU 23 N 0.25 0.87 -0.87 1.67 3.38 -0.87 -1.04 115.31 118.70 1bs1 h LEU 23 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1bs1 h LEU 23 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1bs1 h LEU 23 CO -0.01 0.65 0.49 1.56 0.09 0.00 0.00 178.44 181.22 1bs1 h GLN 24 N 1.01 1.20 -0.49 1.13 4.20 -0.86 -1.71 115.11 119.58 1bs1 h GLN 24 Ca 0.27 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1bs1 h GLN 24 Cb -0.09 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.43 1bs1 h GLN 24 CO -0.06 0.86 0.01 0.00 -0.67 0.00 0.00 178.83 178.98 1bs1 h ALA 25 N 1.27 1.08 -0.29 3.87 0.00 -0.62 -0.95 119.26 123.62 1bs1 h ALA 25 Ca 0.31 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1bs1 h ALA 25 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1bs1 h ALA 25 CO -0.05 0.58 -0.39 0.00 0.00 0.00 0.00 179.25 179.39 1bs1 h ALA 26 N 1.24 0.77 -0.63 0.00 0.00 -0.91 -1.66 119.26 118.08 1bs1 h ALA 26 Ca 0.15 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1bs1 h ALA 26 Cb 0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1bs1 h ALA 26 CO 0.02 0.66 0.12 -0.22 0.00 0.00 0.00 179.25 179.82 1bs1 h LYS 27 N 0.57 1.03 -0.02 0.00 3.64 -1.03 -1.96 116.57 118.79 1bs1 h LYS 27 Ca 0.05 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1bs1 h LYS 27 Cb 0.92 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1bs1 h LYS 27 CO 0.08 0.95 -0.11 0.00 -2.27 0.00 0.00 179.45 178.11 1bs1 h ALA 28 N 1.04 1.78 0.00 5.00 0.00 -0.85 -1.18 119.26 125.04 1bs1 h ALA 28 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bs1 h ALA 28 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bs1 h ALA 28 CO 0.01 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1bs1 n ALA 29 N -2.51 2.37 -0.03 0.00 0.00 -0.65 -4.90 120.51 114.79 1bs1 n ALA 29 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1bs1 n ALA 29 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1bs1 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bs1 n GLY 30 N 1.23 0.98 3.85 0.00 0.00 -0.45 -5.09 105.19 105.72 1bs1 n GLY 30 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1bs1 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bs1 s TYR 31 N -2.00 3.49 -0.55 1.61 2.02 -0.80 -5.02 117.35 116.10 1bs1 s TYR 31 Ca 0.00 1.41 -0.19 0.00 -0.37 0.00 0.00 57.07 57.92 1bs1 s TYR 31 Cb 0.00 -2.76 0.08 0.00 -0.40 0.00 0.00 41.96 38.88 1bs1 s TYR 31 CO 0.00 -0.44 0.66 1.03 -1.57 0.00 0.00 175.55 175.24 1bs1 s ARG 32 N -4.32 3.07 0.22 -0.62 0.52 -1.26 -4.50 118.95 112.06 1bs1 s ARG 32 Ca 0.58 -1.14 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 1bs1 s ARG 32 Cb -0.10 -4.19 -0.03 0.00 0.52 0.00 0.00 34.95 31.14 1bs1 s ARG 32 CO 0.37 -1.39 0.26 0.95 0.02 0.00 0.00 175.30 175.50 1bs1 s THR 33 N 2.63 4.90 -0.17 0.02 -4.23 -1.26 -0.38 115.64 117.15 1bs1 s THR 33 Ca 0.13 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1bs1 s THR 33 Cb -0.22 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.06 1bs1 s THR 33 CO 0.09 -0.26 0.42 0.00 -0.54 0.00 0.00 174.62 174.32 1bs1 s ALA 34 N -1.95 -1.05 0.07 3.99 0.00 -0.88 -3.09 121.76 118.84 1bs1 s ALA 34 Ca 0.33 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1bs1 s ALA 34 Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1bs1 s ALA 34 CO 0.27 -0.24 0.15 0.20 0.00 0.00 0.00 175.76 176.14 1bs1 s GLY 35 N 1.00 2.12 -0.04 0.00 0.00 -1.26 -1.44 107.32 107.69 1bs1 s GLY 35 Ca -0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1bs1 s GLY 35 CO -0.08 -0.89 0.04 -0.47 0.00 0.00 0.00 173.10 171.70 1bs1 s TYR 36 N -1.45 0.16 -0.65 1.90 5.04 -0.06 -4.69 117.35 117.61 1bs1 s TYR 36 Ca 0.32 0.16 0.05 0.00 -2.44 0.00 0.00 57.07 55.16 1bs1 s TYR 36 Cb -0.13 -0.48 0.16 0.00 0.35 0.00 0.00 41.96 41.87 1bs1 s TYR 36 CO 0.25 -0.19 0.45 0.21 -1.34 0.00 0.00 175.55 174.93 1bs1 s LYS 37 N 1.87 2.20 0.26 4.97 2.47 0.13 -0.36 119.74 131.27 1bs1 s LYS 37 Ca 0.01 -3.09 -0.03 0.00 -1.56 0.00 0.00 55.97 51.30 1bs1 s LYS 37 Cb -0.12 -3.15 0.43 0.00 -1.46 0.00 0.00 37.83 33.53 1bs1 s LYS 37 CO -0.03 -1.28 1.83 -1.00 0.16 0.00 0.00 175.35 175.03 1bs1 h PRO 38 N 5.57 0.90 -5.02 4.03 0.13 -1.78 -3.37 132.00 132.47 1bs1 h PRO 38 Ca 0.13 -0.05 -0.60 0.00 -0.87 0.00 0.00 66.00 64.60 1bs1 h PRO 38 Cb 0.79 -0.20 -0.33 0.00 0.13 0.00 0.00 31.00 31.39 1bs1 h PRO 38 CO 0.67 0.59 -0.85 0.08 -0.23 0.00 0.00 178.00 178.26 1bs1 s VAL 39 N -6.02 1.64 -0.03 1.56 1.01 -1.26 -1.90 120.40 115.40 1bs1 s VAL 39 Ca -0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1bs1 s VAL 39 Cb 0.20 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1bs1 s VAL 39 CO 0.79 0.47 0.08 0.00 0.00 0.00 0.00 175.10 176.44 1bs1 s ALA 40 N 0.45 -0.20 0.01 5.51 0.00 -0.36 -4.63 121.76 122.54 1bs1 s ALA 40 Ca -0.16 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1bs1 s ALA 40 Cb -0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1bs1 s ALA 40 CO 0.06 -0.04 -0.11 -1.54 0.00 0.00 0.00 175.76 174.13 1bs1 s SER 41 N 0.04 1.33 0.00 0.00 1.04 -1.26 -0.97 113.70 113.88 1bs1 s SER 41 Ca -0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1bs1 s SER 41 Cb -0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1bs1 s SER 41 CO 0.00 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1bs1 n GLY 42 N 2.44 0.50 3.02 7.32 0.00 -0.46 -4.62 105.19 113.38 1bs1 n GLY 42 Ca -0.16 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1bs1 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bs1 s SER 43 N -0.73 0.22 0.13 1.61 0.01 -0.39 -4.48 113.70 110.06 1bs1 s SER 43 Ca 0.00 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 56.82 1bs1 s SER 43 Cb 0.00 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1bs1 s SER 43 CO 0.00 -0.35 -0.00 -1.61 0.41 0.00 0.00 173.24 171.69 1bs1 s GLU 44 N -1.75 2.48 0.43 12.44 8.01 -0.19 -4.54 118.70 135.59 1bs1 s GLU 44 Ca -0.13 -0.95 -0.23 0.00 0.01 0.00 0.00 54.97 53.67 1bs1 s GLU 44 Cb -0.07 -2.46 -0.09 0.00 -4.31 0.00 0.00 34.13 27.20 1bs1 s GLU 44 CO -0.02 0.50 1.05 -1.59 0.01 0.00 0.00 175.26 175.21 1bs1 s LYS 45 N -2.57 4.05 0.19 1.61 -2.85 -1.26 -0.60 119.74 118.31 1bs1 s LYS 45 Ca 0.26 1.46 -0.06 0.00 -1.00 0.00 0.00 55.97 56.63 1bs1 s LYS 45 Cb -0.11 -2.40 -0.02 0.00 -2.06 0.00 0.00 37.83 33.24 1bs1 s LYS 45 CO 0.18 -0.23 0.26 0.95 0.10 0.00 0.00 175.35 176.61 1bs1 s THR 46 N -1.76 0.03 0.57 3.79 -4.23 -1.00 -4.87 115.64 108.16 1bs1 s THR 46 Ca 0.61 -1.66 0.27 0.00 -1.18 0.00 0.00 61.69 59.73 1bs1 s THR 46 Cb -0.20 -2.18 0.34 0.00 1.34 0.00 0.00 72.50 71.80 1bs1 s THR 46 CO 0.25 -0.14 2.23 -0.65 -0.54 0.00 0.00 174.62 175.77 1bs1 h PRO 47 N 2.53 0.00 0.00 3.99 0.11 -2.02 -1.52 132.00 135.09 1bs1 h PRO 47 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1bs1 h PRO 47 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1bs1 h PRO 47 CO 0.48 0.01 -0.18 0.39 -0.21 0.00 0.00 178.00 178.48 1bs1 n GLU 48 N -3.96 0.03 0.00 1.05 -0.58 -1.26 -5.05 120.64 110.86 1bs1 n GLU 48 Ca -0.03 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1bs1 n GLU 48 Cb 0.09 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1bs1 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bs1 n GLY 49 N 1.48 0.56 3.77 0.62 0.00 -0.57 -5.07 105.19 105.98 1bs1 n GLY 49 Ca 0.06 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1bs1 n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bs1 s LEU 50 N 0.00 4.38 -0.08 0.99 1.43 -1.26 -2.38 118.68 121.75 1bs1 s LEU 50 Ca 0.00 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 55.86 1bs1 s LEU 50 Cb 0.00 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1bs1 s LEU 50 CO 0.00 -0.64 -0.11 -0.13 0.23 0.00 0.00 176.35 175.71 1bs1 s ARG 51 N -1.91 1.68 -0.02 1.70 1.81 0.23 -4.94 118.95 117.50 1bs1 s ARG 51 Ca 0.51 -0.37 -0.13 0.00 -1.72 0.00 0.00 55.73 54.02 1bs1 s ARG 51 Cb -0.41 -1.49 -0.05 0.00 -0.45 0.00 0.00 34.95 32.55 1bs1 s ARG 51 CO 0.54 -0.07 0.35 1.21 -0.68 0.00 0.00 175.30 176.65 1bs1 s ASN 52 N 1.01 6.70 0.32 0.23 2.47 -1.26 -1.02 114.94 123.39 1bs1 s ASN 52 Ca -0.08 0.84 0.06 0.00 0.42 0.00 0.00 52.86 54.10 1bs1 s ASN 52 Cb -0.15 -2.20 0.54 0.00 -1.45 0.00 0.00 41.25 37.99 1bs1 s ASN 52 CO -0.00 0.33 1.77 0.77 -3.72 0.00 0.00 177.10 176.25 1bs1 h SER 53 N 4.68 0.31 -0.17 -4.21 4.64 -1.98 -1.28 113.55 115.55 1bs1 h SER 53 Ca -0.52 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 60.66 1bs1 h SER 53 Cb 1.22 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1bs1 h SER 53 CO 0.61 0.59 -0.02 0.44 -0.87 0.00 0.00 176.83 177.58 1bs1 h ASP 54 N 0.28 0.31 -0.88 4.97 5.19 -1.94 -1.21 116.42 123.14 1bs1 h ASP 54 Ca 0.04 -0.34 0.02 0.00 -0.62 0.00 0.00 57.03 56.13 1bs1 h ASP 54 Cb 0.63 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.01 1bs1 h ASP 54 CO 0.05 0.58 0.58 0.00 -3.12 0.00 0.00 179.24 177.32 1bs1 h ALA 55 N 0.75 1.14 -0.85 3.45 0.00 -1.86 -0.28 119.26 121.60 1bs1 h ALA 55 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bs1 h ALA 55 Cb 0.43 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1bs1 h ALA 55 CO 0.01 0.47 0.43 -0.07 0.00 0.00 0.00 179.25 180.09 1bs1 h LEU 56 N 1.15 1.10 -0.62 0.00 3.38 -1.04 -0.30 115.31 118.97 1bs1 h LEU 56 Ca 0.34 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1bs1 h LEU 56 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1bs1 h LEU 56 CO -0.09 0.91 0.08 0.00 0.09 0.00 0.00 178.44 179.43 1bs1 h ALA 57 N 1.23 0.83 -0.52 1.53 0.00 -0.35 -0.73 119.26 121.24 1bs1 h ALA 57 Ca 0.29 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1bs1 h ALA 57 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bs1 h ALA 57 CO -0.04 0.61 -0.02 -0.07 0.00 0.00 0.00 179.25 179.74 1bs1 h LEU 58 N 0.96 0.87 -0.14 0.00 3.38 -0.87 -1.29 115.31 118.22 1bs1 h LEU 58 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1bs1 h LEU 58 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1bs1 h LEU 58 CO 0.02 0.94 0.05 -0.61 0.09 0.00 0.00 178.44 178.93 1bs1 h GLN 59 N 0.83 0.21 -0.31 1.13 4.15 -0.77 -2.03 115.11 118.31 1bs1 h GLN 59 Ca 0.15 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1bs1 h GLN 59 Cb 0.52 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 1bs1 h GLN 59 CO 0.03 0.32 -0.04 0.00 -1.93 0.00 0.00 178.83 177.21 1bs1 h ARG 60 N 0.06 0.49 -0.09 1.69 3.08 -0.96 -2.77 114.38 115.86 1bs1 h ARG 60 Ca 0.05 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1bs1 h ARG 60 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1bs1 h ARG 60 CO -0.00 0.54 0.00 0.09 -1.07 0.00 0.00 179.97 179.53 1bs1 n ASN 61 N -4.27 1.40 -4.80 7.04 3.02 -0.50 -4.89 115.26 112.26 1bs1 n ASN 61 Ca 0.01 -1.57 -0.37 0.00 -0.03 0.00 0.00 54.58 52.61 1bs1 n ASN 61 Cb 0.26 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 1bs1 n ASN 61 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1bs1 s SER 62 N -1.75 7.22 0.31 6.41 0.01 -0.78 -4.47 113.70 120.64 1bs1 s SER 62 Ca 0.35 1.57 0.16 0.00 1.31 0.00 0.00 55.95 59.34 1bs1 s SER 62 Cb 0.19 -2.47 0.37 0.00 0.21 0.00 0.00 66.02 64.31 1bs1 s SER 62 CO 0.29 0.07 1.59 0.77 0.41 0.00 0.00 173.24 176.37 1bs1 h SER 63 N 3.66 0.00 -3.62 2.44 4.64 -1.87 -3.44 113.55 115.36 1bs1 h SER 63 Ca -0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.34 1bs1 h SER 63 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1bs1 h SER 63 CO 0.65 0.50 0.04 -0.76 -0.87 0.00 0.00 176.83 176.39 1bs1 s LEU 64 N -6.87 4.01 -0.49 5.97 1.43 -1.19 -4.93 118.68 116.61 1bs1 s LEU 64 Ca 0.01 1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.98 1bs1 s LEU 64 Cb 0.10 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.41 1bs1 s LEU 64 CO 0.72 -0.24 0.94 -1.10 0.23 0.00 0.00 176.35 176.90 1bs1 s GLN 65 N -3.27 3.47 0.05 1.70 -0.21 -1.26 -5.01 119.66 115.13 1bs1 s GLN 65 Ca 0.51 0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.99 1bs1 s GLN 65 Cb -0.10 -3.97 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 1bs1 s GLN 65 CO 0.24 -1.31 -0.13 -0.51 -2.12 0.00 0.00 175.29 171.46 1bs1 s LEU 66 N 3.84 2.89 0.44 2.90 1.43 -1.26 -5.12 118.68 123.81 1bs1 s LEU 66 Ca 0.35 -0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 1bs1 s LEU 66 Cb -0.11 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1bs1 s LEU 66 CO 0.24 0.24 1.03 -1.81 0.23 0.00 0.00 176.35 176.28 1bs1 s ASP 67 N -1.69 6.59 0.17 2.29 1.01 -1.26 -4.96 116.67 118.83 1bs1 s ASP 67 Ca 0.17 1.94 -0.18 0.00 0.71 0.00 0.00 52.55 55.19 1bs1 s ASP 67 Cb -0.11 -2.57 0.11 0.00 1.01 0.00 0.00 42.92 41.36 1bs1 s ASP 67 CO 0.09 -0.61 1.64 0.22 0.21 0.00 0.00 175.17 176.71 1bs1 h TYR 68 N 1.98 -0.46 -0.02 4.23 3.20 -1.99 -1.12 116.97 122.79 1bs1 h TYR 68 Ca -0.49 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1bs1 h TYR 68 Cb 1.21 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 1bs1 h TYR 68 CO 0.58 -0.27 0.02 0.00 -1.64 0.00 0.00 178.16 176.85 1bs1 h ALA 69 N 1.21 1.52 0.00 1.82 0.00 -1.93 -0.16 119.26 121.71 1bs1 h ALA 69 Ca 0.20 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1bs1 h ALA 69 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1bs1 h ALA 69 CO -0.49 -0.03 -0.77 1.15 0.00 0.00 0.00 179.25 179.11 1bs1 h THR 70 N 0.00 1.45 0.19 0.00 2.02 -1.59 -2.89 112.91 112.09 1bs1 h THR 70 Ca 0.01 -2.72 -0.32 0.00 0.77 0.00 0.00 66.41 64.15 1bs1 h THR 70 Cb 0.05 2.51 0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1bs1 h THR 70 CO -0.00 0.75 -1.36 0.58 0.37 0.00 0.00 175.52 175.86 1bs1 h VAL 71 N 0.00 1.30 -2.29 3.16 2.07 -1.00 -3.44 116.25 116.05 1bs1 h VAL 71 Ca -0.01 -2.62 -0.51 0.00 0.82 0.00 0.00 66.70 64.39 1bs1 h VAL 71 Cb 1.45 2.88 -0.36 0.00 -1.52 0.00 0.00 31.29 33.74 1bs1 h VAL 71 CO 0.10 0.79 -0.82 0.21 0.02 0.00 0.00 177.57 177.87 1bs1 s ASN 72 N -7.49 1.91 0.32 0.57 2.47 -0.22 -0.69 114.94 111.81 1bs1 s ASN 72 Ca -0.09 -2.21 0.04 0.00 0.42 0.00 0.00 52.86 51.02 1bs1 s ASN 72 Cb 0.05 -0.04 0.56 0.00 -1.45 0.00 0.00 41.25 40.37 1bs1 s ASN 72 CO 0.94 -0.25 1.84 -0.65 -3.72 0.00 0.00 177.10 175.26 1bs1 h PRO 73 N 6.61 0.52 -4.78 0.43 0.11 -1.61 -3.41 132.00 129.88 1bs1 h PRO 73 Ca 0.11 -0.13 -0.68 0.00 0.11 0.00 0.00 66.00 65.41 1bs1 h PRO 73 Cb 0.99 -0.07 -0.33 0.00 0.11 0.00 0.00 31.00 31.70 1bs1 h PRO 73 CO 0.26 0.58 -0.71 0.71 -0.21 0.00 0.00 178.00 178.64 1bs1 s TYR 74 N -4.87 3.26 -0.17 0.65 2.02 -0.80 -5.08 117.35 112.36 1bs1 s TYR 74 Ca -0.07 -1.88 0.01 0.00 -0.37 0.00 0.00 57.07 54.75 1bs1 s TYR 74 Cb 0.15 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1bs1 s TYR 74 CO 0.77 -0.81 -0.19 0.99 -1.57 0.00 0.00 175.55 174.74 1bs1 s THR 75 N 1.25 1.98 -0.01 -0.71 2.01 -1.26 -1.22 115.64 117.68 1bs1 s THR 75 Ca -0.05 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1bs1 s THR 75 Cb -0.20 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1bs1 s THR 75 CO -0.01 0.53 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.89 1bs1 s PHE 76 N 1.29 2.52 -0.01 4.92 0.08 -0.14 -4.98 117.98 121.65 1bs1 s PHE 76 Ca 0.04 -0.29 -0.23 0.00 0.12 0.00 0.00 56.93 56.57 1bs1 s PHE 76 Cb -0.13 -1.52 -0.20 0.00 -0.57 0.00 0.00 43.02 40.60 1bs1 s PHE 76 CO -0.12 0.14 1.16 0.00 -0.10 0.00 0.00 175.22 176.30 1bs1 h ALA 77 N 5.09 0.09 -2.53 5.36 0.00 -1.88 -1.19 119.26 124.21 1bs1 h ALA 77 Ca -0.46 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 53.52 1bs1 h ALA 77 Cb 1.14 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1bs1 h ALA 77 CO 0.48 0.07 0.55 -2.00 0.00 0.00 0.00 179.25 178.35 1bs1 s GLU 78 N -3.64 4.46 -1.43 0.00 2.12 -1.26 -1.26 118.70 117.68 1bs1 s GLU 78 Ca -0.15 1.79 -0.15 0.00 0.36 0.00 0.00 54.97 56.82 1bs1 s GLU 78 Cb 0.03 -3.32 0.05 0.00 0.26 0.00 0.00 34.13 31.14 1bs1 s GLU 78 CO 0.74 -0.19 2.13 -0.35 -0.54 0.00 0.00 175.26 177.05 1bs1 n PRO 79 N 3.51 2.92 -3.36 4.30 -0.04 -1.26 -2.85 135.00 138.22 1bs1 n PRO 79 Ca 0.07 -2.74 -0.14 0.00 -0.04 0.00 0.00 63.50 60.66 1bs1 n PRO 79 Cb 0.46 -3.33 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 1bs1 n PRO 79 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1bs1 n THR 80 N 5.36 0.00 -1.87 0.52 5.66 -1.26 -4.91 114.28 117.77 1bs1 n THR 80 Ca 0.51 -1.39 -0.41 0.00 -3.05 0.00 0.00 64.05 59.71 1bs1 n THR 80 Cb 0.40 0.56 -0.01 0.00 -1.55 0.00 0.00 70.33 69.73 1bs1 n THR 80 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1bs1 s SER 81 N -2.42 6.46 0.26 1.09 0.15 -1.26 -4.83 113.70 113.16 1bs1 s SER 81 Ca 0.16 2.90 -0.01 0.00 0.70 0.00 0.00 55.95 59.70 1bs1 s SER 81 Cb 0.01 -2.65 0.55 0.00 -1.71 0.00 0.00 66.02 62.22 1bs1 s SER 81 CO 0.11 -0.81 1.75 -0.65 1.20 0.00 0.00 173.24 174.84 1bs1 h PRO 82 N 4.01 0.57 -0.42 5.44 0.11 -1.94 -1.11 132.00 138.65 1bs1 h PRO 82 Ca -0.48 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1bs1 h PRO 82 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1bs1 h PRO 82 CO 0.72 0.37 0.12 1.12 -0.21 0.00 0.00 178.00 180.12 1bs1 h HIS 83 N 0.58 0.63 0.25 0.65 2.07 -1.56 0.68 115.15 118.46 1bs1 h HIS 83 Ca 0.47 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.94 1bs1 h HIS 83 Cb 0.70 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 30.49 1bs1 h HIS 83 CO -0.10 0.53 -0.12 0.82 -3.07 0.00 0.00 177.93 175.99 1bs1 h ILE 84 N 0.61 0.78 -0.08 6.12 2.04 -1.52 -2.27 117.51 123.19 1bs1 h ILE 84 Ca 0.14 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.21 1bs1 h ILE 84 Cb 0.21 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1bs1 h ILE 84 CO -0.01 0.14 -0.49 -0.29 0.00 0.00 0.00 178.15 177.50 1bs1 h ILE 85 N -0.71 1.34 -0.58 -0.67 6.09 -1.41 -1.65 117.51 119.92 1bs1 h ILE 85 Ca -0.03 -1.71 -0.01 0.00 -1.37 0.00 0.00 64.86 61.73 1bs1 h ILE 85 Cb 0.49 1.82 -0.03 0.00 0.47 0.00 0.00 36.82 39.57 1bs1 h ILE 85 CO 0.06 0.51 0.31 -1.28 -3.07 0.00 0.00 178.15 174.67 1bs1 h SER 86 N 0.17 0.74 -0.36 2.19 0.87 -0.89 -0.57 113.55 115.70 1bs1 h SER 86 Ca 0.01 -0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 1bs1 h SER 86 Cb 0.93 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1bs1 h SER 86 CO 0.07 0.63 -0.31 0.00 -0.53 0.00 0.00 176.83 176.70 1bs1 h ALA 87 N 1.14 0.52 -0.71 6.23 0.00 -1.29 -1.51 119.26 123.63 1bs1 h ALA 87 Ca 0.20 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1bs1 h ALA 87 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1bs1 h ALA 87 CO -0.03 0.56 0.36 0.37 0.00 0.00 0.00 179.25 180.51 1bs1 h GLN 88 N 0.64 1.02 -0.01 0.00 5.75 -1.11 -2.84 115.11 118.56 1bs1 h GLN 88 Ca 0.06 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1bs1 h GLN 88 Cb 0.89 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.25 1bs1 h GLN 88 CO 0.08 0.79 -0.06 0.39 -2.65 0.00 0.00 178.83 177.37 1bs1 n GLU 89 N -4.44 1.36 -3.18 1.69 1.02 -0.24 -4.95 120.64 111.90 1bs1 n GLU 89 Ca 0.06 -0.72 -0.19 0.00 -0.02 0.00 0.00 57.16 56.29 1bs1 n GLU 89 Cb 0.12 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 1bs1 n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bs1 n GLY 90 N 1.20 -0.27 2.81 0.62 0.00 -0.65 -4.98 105.19 103.92 1bs1 n GLY 90 Ca 0.18 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1bs1 n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bs1 s ARG 91 N -5.83 1.71 0.50 1.61 3.52 -0.70 -5.05 118.95 114.71 1bs1 s ARG 91 Ca 0.38 -2.46 -0.23 0.00 -0.13 0.00 0.00 55.73 53.29 1bs1 s ARG 91 Cb -0.17 -2.82 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1bs1 s ARG 91 CO 0.48 -1.18 1.37 -1.25 -0.81 0.00 0.00 175.30 173.91 1bs1 s PRO 92 N -0.20 3.42 -0.27 5.12 0.04 -1.26 -4.68 135.00 137.16 1bs1 s PRO 92 Ca 0.19 2.27 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 1bs1 s PRO 92 Cb -0.20 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1bs1 s PRO 92 CO -0.04 -0.98 0.36 0.42 0.04 0.00 0.00 177.00 176.80 1bs1 s ILE 93 N -1.28 5.19 -0.18 0.56 1.01 -1.26 -5.07 121.20 120.16 1bs1 s ILE 93 Ca 0.66 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.83 1bs1 s ILE 93 Cb -0.41 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1bs1 s ILE 93 CO 0.50 0.17 -0.05 -0.70 0.00 0.00 0.00 174.94 174.86 1bs1 s GLU 94 N 2.02 3.48 0.24 2.79 2.56 -1.26 -4.92 118.70 123.61 1bs1 s GLU 94 Ca 0.14 -0.60 -0.06 0.00 0.00 0.00 0.00 54.97 54.46 1bs1 s GLU 94 Cb -0.16 -2.92 0.45 0.00 2.00 0.00 0.00 34.13 33.51 1bs1 s GLU 94 CO 0.10 0.02 1.67 1.03 -0.56 0.00 0.00 175.26 177.51 1bs1 h SER 95 N 7.41 -0.11 -0.91 -1.70 0.87 -1.99 -0.42 113.55 116.70 1bs1 h SER 95 Ca -0.35 0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1bs1 h SER 95 Cb 1.18 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 63.33 1bs1 h SER 95 CO 0.60 -0.09 0.60 -0.07 -0.53 0.00 0.00 176.83 177.33 1bs1 h LEU 96 N 0.20 0.97 -0.34 2.23 4.07 -1.99 -0.16 115.31 120.29 1bs1 h LEU 96 Ca 0.41 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 58.26 1bs1 h LEU 96 Cb 0.72 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1bs1 h LEU 96 CO -0.56 0.65 -0.21 0.58 -1.08 0.00 0.00 178.44 177.82 1bs1 h VAL 97 N 1.12 1.29 -0.80 1.22 2.07 -1.53 -0.59 116.25 119.03 1bs1 h VAL 97 Ca 0.37 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.56 1bs1 h VAL 97 Cb 0.06 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1bs1 h VAL 97 CO -0.12 0.44 0.52 0.24 0.02 0.00 0.00 177.57 178.67 1bs1 h MET 98 N 0.52 1.01 -0.47 1.57 2.86 -0.79 -1.80 114.93 117.82 1bs1 h MET 98 Ca 0.07 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1bs1 h MET 98 Cb 0.77 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1bs1 h MET 98 CO 0.06 0.67 -0.24 0.77 1.06 0.00 0.00 176.91 179.23 1bs1 h SER 99 N 1.04 1.03 -0.76 1.22 0.02 -0.90 -2.66 113.55 112.55 1bs1 h SER 99 Ca 0.31 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1bs1 h SER 99 Cb -0.05 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.16 1bs1 h SER 99 CO -0.09 1.21 0.42 0.00 -1.14 0.00 0.00 176.83 177.23 1bs1 h ALA 100 N 0.86 1.30 -0.70 3.77 0.00 -0.89 -1.59 119.26 122.01 1bs1 h ALA 100 Ca 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1bs1 h ALA 100 Cb 0.82 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bs1 h ALA 100 CO 0.07 0.57 0.15 0.78 0.00 0.00 0.00 179.25 180.82 1bs1 h GLY 101 N 1.10 1.23 0.96 0.00 0.00 -1.09 0.17 103.07 105.44 1bs1 h GLY 101 Ca 0.27 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1bs1 h GLY 101 CO -0.04 0.73 0.16 -2.00 0.00 0.00 0.00 176.54 175.39 1bs1 h LEU 102 N 1.07 0.35 -0.72 3.11 5.85 -1.09 -2.19 115.31 121.68 1bs1 h LEU 102 Ca 0.22 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1bs1 h LEU 102 Cb 0.40 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1bs1 h LEU 102 CO 0.01 0.32 0.44 0.03 -0.34 0.00 0.00 178.44 178.89 1bs1 h ARG 103 N 0.35 0.81 -0.44 1.25 2.47 -0.81 -2.13 114.38 115.89 1bs1 h ARG 103 Ca 0.10 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.82 1bs1 h ARG 103 Cb 0.04 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.13 1bs1 h ARG 103 CO -0.02 0.54 0.19 0.00 0.56 0.00 0.00 179.97 181.24 1bs1 h ALA 104 N 1.33 0.54 -0.73 0.04 0.00 -0.42 -1.71 119.26 118.31 1bs1 h ALA 104 Ca 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1bs1 h ALA 104 Cb 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1bs1 h ALA 104 CO -0.14 -0.18 0.43 -0.07 0.00 0.00 0.00 179.25 179.29 1bs1 h LEU 105 N 0.38 0.89 -1.58 0.00 3.38 -1.05 -2.04 115.31 115.29 1bs1 h LEU 105 Ca 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1bs1 h LEU 105 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1bs1 h LEU 105 CO -0.17 0.70 0.00 -0.33 0.09 0.00 0.00 178.44 178.72 1bs1 h GLU 106 N 1.00 0.00 -0.39 1.13 5.08 -0.66 0.41 114.58 121.14 1bs1 h GLU 106 Ca 0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1bs1 h GLU 106 Cb -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1bs1 h GLU 106 CO -0.05 0.00 0.17 1.96 -1.00 0.00 0.00 179.01 180.09 1bs1 h GLN 107 N 0.00 0.54 0.00 2.33 4.20 -0.88 -3.34 115.11 117.96 1bs1 h GLN 107 Ca 0.00 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1bs1 h GLN 107 Cb 0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1bs1 h GLN 107 CO 0.00 0.44 -1.40 1.04 -0.67 0.00 0.00 178.83 178.25 1bs1 n GLN 108 N -4.39 2.74 -3.88 1.46 6.02 -0.26 -5.06 117.38 114.01 1bs1 n GLN 108 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.70 1bs1 n GLN 108 Cb 0.13 -1.15 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 1bs1 n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bs1 s ALA 109 N -2.14 3.96 -1.58 -1.58 0.00 -0.03 -4.93 121.76 115.47 1bs1 s ALA 109 Ca -0.04 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.30 1bs1 s ALA 109 Cb 0.02 -1.89 0.30 0.00 0.00 0.00 0.00 23.12 21.55 1bs1 s ALA 109 CO 0.23 0.78 1.20 -0.40 0.00 0.00 0.00 175.76 177.57 1bs1 n ASP 110 N 0.46 2.88 -3.36 0.00 5.68 0.48 -4.52 116.55 118.17 1bs1 n ASP 110 Ca -0.06 -1.85 -0.09 0.00 -0.50 0.00 0.00 54.79 52.28 1bs1 n ASP 110 Cb 0.52 -0.19 -0.08 0.00 -1.14 0.00 0.00 41.12 40.23 1bs1 n ASP 110 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1bs1 s TRP 111 N -1.13 -0.83 -0.05 2.11 -0.00 -1.11 -1.78 118.94 116.15 1bs1 s TRP 111 Ca 0.26 0.85 0.05 0.00 -0.00 0.00 0.00 56.10 57.27 1bs1 s TRP 111 Cb 0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 33.47 33.64 1bs1 s TRP 111 CO 0.21 -0.71 -0.22 0.08 -0.00 0.00 0.00 176.95 176.31 1bs1 s VAL 112 N 2.55 1.79 -0.11 5.86 1.01 -0.09 -2.08 120.40 129.33 1bs1 s VAL 112 Ca 0.12 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1bs1 s VAL 112 Cb -0.15 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1bs1 s VAL 112 CO -0.16 0.50 -0.17 -0.22 0.00 0.00 0.00 175.10 175.05 1bs1 s LEU 113 N -0.05 2.48 -0.23 3.92 0.20 -0.52 -1.63 118.68 122.84 1bs1 s LEU 113 Ca -0.04 -0.40 -0.03 0.00 0.69 0.00 0.00 54.13 54.34 1bs1 s LEU 113 Cb -0.13 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.11 1bs1 s LEU 113 CO 0.03 0.18 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.52 1bs1 s VAL 114 N 0.24 3.11 -0.10 1.68 1.01 0.64 -0.88 120.40 126.11 1bs1 s VAL 114 Ca -0.12 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 1bs1 s VAL 114 Cb -0.16 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1bs1 s VAL 114 CO 0.06 0.35 0.40 -0.70 0.00 0.00 0.00 175.10 175.22 1bs1 s GLU 115 N 1.41 4.18 0.17 2.72 2.12 0.51 0.89 118.70 130.71 1bs1 s GLU 115 Ca 0.04 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.67 1bs1 s GLU 115 Cb -0.15 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.91 1bs1 s GLU 115 CO -0.05 0.34 0.24 0.41 -0.54 0.00 0.00 175.26 175.66 1bs1 n GLY 116 N 2.87 -1.02 3.12 -1.50 0.00 -0.67 -4.44 105.19 103.54 1bs1 n GLY 116 Ca -0.11 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1bs1 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs1 s ALA 117 N -3.89 1.90 0.00 4.61 0.00 -1.26 -4.99 121.76 118.13 1bs1 s ALA 117 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1bs1 s ALA 117 Cb -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1bs1 s ALA 117 CO 0.09 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1bs1 n GLY 118 N 4.00 1.34 0.00 0.00 0.00 -1.26 -4.60 105.19 104.67 1bs1 n GLY 118 Ca -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1bs1 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bs1 n GLY 119 N 0.00 0.87 0.13 -0.02 0.00 -1.26 -4.35 105.19 100.56 1bs1 n GLY 119 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1bs1 n GLY 119 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1bs1 h TRP 120 N -0.20 0.29 -0.46 1.61 2.91 -1.87 -3.16 115.95 115.07 1bs1 h TRP 120 Ca 0.00 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.97 1bs1 h TRP 120 Cb 0.00 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.52 1bs1 h TRP 120 CO 0.00 0.17 0.08 1.19 -1.03 0.00 0.00 178.44 178.85 1bs1 n PHE 121 N -4.94 1.61 -1.68 2.65 3.72 -1.26 -2.80 117.46 114.76 1bs1 n PHE 121 Ca -0.01 -0.67 -0.48 0.00 -0.05 0.00 0.00 57.45 56.24 1bs1 n PHE 121 Cb 0.05 -0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 38.09 1bs1 n PHE 121 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1bs1 n THR 122 N 0.26 0.48 -2.23 4.37 -1.04 -1.20 -4.63 114.28 110.30 1bs1 n THR 122 Ca 0.24 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.05 61.76 1bs1 n THR 122 Cb 1.00 -1.83 -0.02 0.00 -1.82 0.00 0.00 70.33 67.66 1bs1 n THR 122 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1bs1 s PRO 123 N 3.49 4.32 -0.13 -2.82 0.02 -1.26 -0.82 135.00 137.81 1bs1 s PRO 123 Ca 0.90 2.04 0.12 0.00 0.02 0.00 0.00 61.00 64.08 1bs1 s PRO 123 Cb -0.68 -2.99 -0.17 0.00 0.02 0.00 0.00 34.50 30.68 1bs1 s PRO 123 CO 0.49 -0.15 0.06 1.28 -0.33 0.00 0.00 177.00 178.35 1bs1 n LEU 124 N 0.67 0.00 0.00 -5.54 4.77 0.69 -2.18 117.00 115.42 1bs1 n LEU 124 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1bs1 n LEU 124 Cb 0.44 0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.79 1bs1 n LEU 124 CO 0.56 0.32 -0.03 -1.54 -1.33 0.00 0.00 177.39 175.37 1bs1 n SER 125 N -2.48 -0.68 0.00 -1.43 3.41 -0.45 -3.96 113.62 108.04 1bs1 n SER 125 Ca -0.21 -2.65 0.10 0.00 -0.26 0.00 0.00 58.87 55.85 1bs1 n SER 125 Cb 0.91 1.47 0.50 0.00 -0.26 0.00 0.00 64.21 66.84 1bs1 n SER 125 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bs1 n ASP 126 N -1.92 0.00 0.00 4.04 8.00 -1.26 -3.34 116.55 122.07 1bs1 n ASP 126 Ca 0.05 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1bs1 n ASP 126 Cb 0.47 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1bs1 n ASP 126 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bs1 n THR 127 N -1.33 0.38 -3.74 -3.53 -2.24 -1.26 -5.06 114.28 97.50 1bs1 n THR 127 Ca 0.09 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1bs1 n THR 127 Cb 0.18 0.86 -0.13 0.00 -2.10 0.00 0.00 70.33 69.14 1bs1 n THR 127 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1bs1 s PHE 128 N -0.38 -0.31 0.41 4.78 5.36 -1.21 -5.10 117.98 121.52 1bs1 s PHE 128 Ca 0.00 0.76 0.07 0.00 -0.96 0.00 0.00 56.93 56.80 1bs1 s PHE 128 Cb 0.00 0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.68 1bs1 s PHE 128 CO 0.00 -0.22 0.23 0.95 -1.46 0.00 0.00 175.22 174.72 1bs1 s THR 129 N 1.14 2.42 0.26 0.12 -4.23 -1.26 -0.22 115.64 113.87 1bs1 s THR 129 Ca -0.08 -1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1bs1 s THR 129 Cb -0.10 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 71.01 1bs1 s THR 129 CO -0.08 -0.01 1.93 0.15 -0.54 0.00 0.00 174.62 176.07 1bs1 h PHE 130 N 1.33 1.23 -0.79 3.99 3.04 -1.20 -1.18 116.94 123.36 1bs1 h PHE 130 Ca -0.42 0.03 0.12 0.00 3.98 0.00 0.00 57.97 61.67 1bs1 h PHE 130 Cb 1.26 -0.41 -0.06 0.00 2.56 0.00 0.00 35.95 39.30 1bs1 h PHE 130 CO 0.60 0.74 0.51 0.00 -2.02 0.00 0.00 178.31 178.15 1bs1 h ALA 131 N 1.40 1.89 -0.58 2.41 0.00 -1.78 -1.48 119.26 121.12 1bs1 h ALA 131 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1bs1 h ALA 131 Cb -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1bs1 h ALA 131 CO -0.10 -0.08 0.37 -0.44 0.00 0.00 0.00 179.25 179.00 1bs1 h ASP 132 N 0.61 0.68 -0.41 0.00 3.32 -1.55 -1.48 116.42 117.59 1bs1 h ASP 132 Ca 0.38 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1bs1 h ASP 132 Cb 0.62 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1bs1 h ASP 132 CO -0.14 0.51 -0.00 -0.25 -1.72 0.00 0.00 179.24 177.64 1bs1 h TRP 133 N 0.78 0.79 -0.74 4.55 7.01 -1.24 -0.80 115.95 126.30 1bs1 h TRP 133 Ca 0.21 -0.14 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1bs1 h TRP 133 Cb -0.06 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 1bs1 h TRP 133 CO -0.03 0.80 0.35 0.28 -2.79 0.00 0.00 178.44 177.05 1bs1 h VAL 134 N 0.56 1.24 -0.49 2.65 2.07 -1.23 -0.57 116.25 120.47 1bs1 h VAL 134 Ca 0.12 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1bs1 h VAL 134 Cb 0.49 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1bs1 h VAL 134 CO 0.02 0.28 0.14 0.74 0.02 0.00 0.00 177.57 178.77 1bs1 h THR 135 N 1.05 1.23 -0.71 2.57 2.02 -1.00 0.04 112.91 118.12 1bs1 h THR 135 Ca 0.25 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1bs1 h THR 135 Cb 0.12 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1bs1 h THR 135 CO -0.03 0.29 0.43 1.56 0.37 0.00 0.00 175.52 178.14 1bs1 h GLN 136 N 0.67 0.96 0.00 6.66 4.20 -0.55 -2.37 115.11 124.67 1bs1 h GLN 136 Ca 0.16 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1bs1 h GLN 136 Cb 0.30 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1bs1 h GLN 136 CO -0.00 0.67 0.00 0.39 -0.67 0.00 0.00 178.83 179.22 1bs1 n GLU 137 N -4.54 0.00 -3.92 1.46 -0.58 -0.28 -4.92 120.64 107.86 1bs1 n GLU 137 Ca 0.06 0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.53 1bs1 n GLU 137 Cb 0.05 -1.51 0.01 0.00 -0.57 0.00 0.00 31.44 29.43 1bs1 n GLU 137 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1bs1 n GLN 138 N -1.51 -4.66 -2.80 3.49 1.13 -0.02 -4.94 117.38 108.06 1bs1 n GLN 138 Ca 0.07 0.54 -0.40 0.00 -1.94 0.00 0.00 57.00 55.26 1bs1 n GLN 138 Cb 0.33 -5.20 -0.06 0.00 0.11 0.00 0.00 30.24 25.42 1bs1 n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bs1 s LEU 139 N -7.09 4.62 0.31 1.08 1.43 -1.14 -5.00 118.68 112.90 1bs1 s LEU 139 Ca 0.42 1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 1bs1 s LEU 139 Cb -0.21 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 1bs1 s LEU 139 CO 0.85 0.14 1.32 -2.84 0.23 0.00 0.00 176.35 176.05 1bs1 s PRO 140 N -1.03 4.35 -0.08 1.29 0.02 -1.26 -4.62 135.00 133.68 1bs1 s PRO 140 Ca 0.41 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1bs1 s PRO 140 Cb -0.25 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.16 1bs1 s PRO 140 CO 0.31 -0.21 -0.06 0.08 -0.33 0.00 0.00 177.00 176.78 1bs1 s VAL 141 N -0.94 3.73 -0.17 3.83 1.01 -0.13 -0.90 120.40 126.84 1bs1 s VAL 141 Ca 0.50 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1bs1 s VAL 141 Cb -0.40 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1bs1 s VAL 141 CO 0.51 0.59 -0.09 -0.63 0.00 0.00 0.00 175.10 175.48 1bs1 s ILE 142 N -0.68 3.30 -0.25 2.22 1.01 0.68 -0.03 121.20 127.46 1bs1 s ILE 142 Ca 0.10 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 1bs1 s ILE 142 Cb -0.11 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1bs1 s ILE 142 CO 0.02 0.49 0.28 -0.22 0.00 0.00 0.00 174.94 175.50 1bs1 s LEU 143 N 0.74 4.08 -0.16 2.97 2.96 -0.20 -1.40 118.68 127.68 1bs1 s LEU 143 Ca -0.04 0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.91 1bs1 s LEU 143 Cb -0.15 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1bs1 s LEU 143 CO 0.02 -0.06 0.45 -0.69 -1.32 0.00 0.00 176.35 174.75 1bs1 s VAL 144 N 1.58 5.18 -0.27 1.68 1.01 0.08 -1.51 120.40 128.15 1bs1 s VAL 144 Ca 0.12 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 1bs1 s VAL 144 Cb -0.15 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1bs1 s VAL 144 CO 0.08 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.77 1bs1 s VAL 145 N 1.01 3.22 -0.28 2.92 1.01 0.13 -2.17 120.40 126.25 1bs1 s VAL 145 Ca 0.23 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 1bs1 s VAL 145 Cb -0.15 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1bs1 s VAL 145 CO 0.09 0.09 1.03 -0.83 0.00 0.00 0.00 175.10 175.48 1bs1 s GLY 146 N 1.36 1.64 -0.57 4.51 0.00 -1.25 -0.66 107.32 112.34 1bs1 s GLY 146 Ca -0.00 0.02 -0.28 0.00 0.00 0.00 0.00 44.72 44.46 1bs1 s GLY 146 CO -0.02 2.18 1.41 0.14 0.00 0.00 0.00 173.10 176.81 1bs1 s VAL 147 N 3.37 3.78 0.14 1.40 1.01 -0.31 -4.69 120.40 125.10 1bs1 s VAL 147 Ca 0.43 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 1bs1 s VAL 147 Cb -0.14 -4.45 0.06 0.00 0.00 0.00 0.00 36.38 31.85 1bs1 s VAL 147 CO 0.11 -1.19 0.84 -1.59 0.00 0.00 0.00 175.10 173.27 1bs1 s LYS 148 N 5.53 1.24 0.18 2.72 -2.85 -1.26 -4.52 119.74 120.77 1bs1 s LYS 148 Ca 0.52 -0.61 -0.33 0.00 -1.00 0.00 0.00 55.97 54.54 1bs1 s LYS 148 Cb -0.11 0.47 -0.13 0.00 -2.06 0.00 0.00 37.83 36.00 1bs1 s LYS 148 CO 0.25 -0.56 1.63 -0.11 0.10 0.00 0.00 175.35 176.65 1bs1 n LEU 149 N -0.40 3.41 0.00 2.77 7.94 -1.26 -1.47 117.00 127.99 1bs1 n LEU 149 Ca -0.08 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1bs1 n LEU 149 Cb 0.61 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1bs1 n LEU 149 CO 0.13 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1bs1 n GLY 150 N 3.58 0.61 0.20 -3.96 0.00 -1.26 -4.96 105.19 99.40 1bs1 n GLY 150 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1bs1 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs1 h ILE 152 N 0.00 0.99 -0.12 0.00 2.04 -1.93 0.81 117.51 119.31 1bs1 h ILE 152 Ca -0.00 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1bs1 h ILE 152 Cb 0.93 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 1bs1 h ILE 152 CO 0.04 0.13 -0.21 -1.13 0.00 0.00 0.00 178.15 176.98 1bs1 h ASN 153 N -0.44 -0.64 -0.87 1.72 -1.24 -1.97 -0.70 115.58 111.43 1bs1 h ASN 153 Ca -0.02 0.11 0.01 0.00 0.71 0.00 0.00 56.30 57.10 1bs1 h ASN 153 Cb 0.35 0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.65 1bs1 h ASN 153 CO 0.03 -0.26 0.57 0.45 -1.29 0.00 0.00 177.43 176.93 1bs1 h HIS 154 N -0.27 1.11 -0.55 0.67 3.86 -1.44 0.29 115.15 118.83 1bs1 h HIS 154 Ca 0.10 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1bs1 h HIS 154 Cb 0.41 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1bs1 h HIS 154 CO -0.31 0.71 0.13 0.00 0.86 0.00 0.00 177.93 179.33 1bs1 h ALA 155 N 1.31 0.72 -0.48 2.45 0.00 -0.58 -1.45 119.26 121.23 1bs1 h ALA 155 Ca 0.32 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1bs1 h ALA 155 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1bs1 h ALA 155 CO -0.07 0.42 -0.04 0.52 0.00 0.00 0.00 179.25 180.08 1bs1 h MET 156 N 0.77 0.88 -0.30 0.00 2.07 -0.77 -0.78 114.93 116.80 1bs1 h MET 156 Ca 0.17 -0.30 0.00 0.00 -2.07 0.00 0.00 59.70 57.50 1bs1 h MET 156 Cb 0.34 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 1bs1 h MET 156 CO 0.00 0.94 0.20 -0.07 1.07 0.00 0.00 176.91 179.05 1bs1 h LEU 157 N 0.73 0.35 -0.17 1.22 3.38 -0.86 -1.41 115.31 118.54 1bs1 h LEU 157 Ca 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1bs1 h LEU 157 Cb 0.57 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1bs1 h LEU 157 CO 0.03 0.26 -0.02 0.74 0.09 0.00 0.00 178.44 179.55 1bs1 h THR 158 N 0.40 1.27 -0.66 0.22 2.02 -1.15 -2.17 112.91 112.84 1bs1 h THR 158 Ca 0.11 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.39 1bs1 h THR 158 Cb -0.03 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1bs1 h THR 158 CO -0.02 0.28 0.41 0.00 0.37 0.00 0.00 175.52 176.55 1bs1 h ALA 159 N 0.75 0.86 -0.24 6.16 0.00 -1.08 -1.43 119.26 124.28 1bs1 h ALA 159 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bs1 h ALA 159 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1bs1 h ALA 159 CO 0.01 0.17 0.14 0.37 0.00 0.00 0.00 179.25 179.93 1bs1 h GLN 160 N 0.80 0.33 -0.33 0.00 4.15 -1.14 -2.05 115.11 116.86 1bs1 h GLN 160 Ca 0.27 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 1bs1 h GLN 160 Cb 0.03 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1bs1 h GLN 160 CO -0.11 0.29 -0.14 0.28 -1.93 0.00 0.00 178.83 177.22 1bs1 h VAL 161 N 0.28 1.25 -0.34 2.39 2.07 -1.10 -0.76 116.25 120.04 1bs1 h VAL 161 Ca 0.08 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1bs1 h VAL 161 Cb 0.05 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1bs1 h VAL 161 CO -0.01 0.37 0.15 0.40 0.02 0.00 0.00 177.57 178.49 1bs1 h ILE 162 N 0.54 1.18 -0.71 4.57 2.04 -1.17 -1.92 117.51 122.04 1bs1 h ILE 162 Ca 0.09 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1bs1 h ILE 162 Cb 0.56 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1bs1 h ILE 162 CO 0.04 0.19 0.40 1.56 0.00 0.00 0.00 178.15 180.34 1bs1 h GLN 163 N 0.41 0.98 0.00 2.37 4.20 -1.11 -1.74 115.11 120.23 1bs1 h GLN 163 Ca 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1bs1 h GLN 163 Cb 0.16 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1bs1 h GLN 163 CO -0.01 0.72 -0.11 0.45 -0.67 0.00 0.00 178.83 179.21 1bs1 h HIS 164 N 0.98 0.00 0.00 2.96 3.86 -0.79 -1.00 115.15 121.16 1bs1 h HIS 164 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1bs1 h HIS 164 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1bs1 h HIS 164 CO -0.01 0.11 0.00 0.00 0.86 0.00 0.00 177.93 178.90 1bs1 n ALA 165 N -2.39 2.57 -0.91 2.45 0.00 -0.67 -4.88 120.51 116.67 1bs1 n ALA 165 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1bs1 n ALA 165 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1bs1 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bs1 n GLY 166 N 0.98 0.54 3.92 0.00 0.00 -0.38 -5.03 105.19 105.23 1bs1 n GLY 166 Ca 0.20 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1bs1 n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bs1 s LEU 167 N 0.00 3.73 -0.23 0.99 1.43 -1.09 -5.05 118.68 118.46 1bs1 s LEU 167 Ca 0.00 0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 1bs1 s LEU 167 Cb 0.00 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1bs1 s LEU 167 CO 0.00 -0.52 0.41 -0.89 0.23 0.00 0.00 176.35 175.58 1bs1 s THR 168 N -2.62 5.17 -0.77 5.49 2.01 -1.26 -4.39 115.64 119.27 1bs1 s THR 168 Ca 0.45 0.70 -0.23 0.00 0.31 0.00 0.00 61.69 62.92 1bs1 s THR 168 Cb -0.10 -3.74 0.07 0.00 0.01 0.00 0.00 72.50 68.74 1bs1 s THR 168 CO 0.42 0.20 1.14 -0.22 -0.69 0.00 0.00 174.62 175.46 1bs1 s LEU 169 N 1.71 4.04 0.47 4.42 2.96 -1.26 -0.95 118.68 130.06 1bs1 s LEU 169 Ca 0.18 -1.06 0.26 0.00 -0.22 0.00 0.00 54.13 53.29 1bs1 s LEU 169 Cb -0.15 -2.47 1.06 0.00 0.50 0.00 0.00 46.19 45.13 1bs1 s LEU 169 CO 0.09 -1.50 1.88 0.00 -1.32 0.00 0.00 176.35 175.50 1bs1 h ALA 170 N 9.61 1.05 0.00 5.97 0.00 -0.78 -3.43 119.26 131.68 1bs1 h ALA 170 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bs1 h ALA 170 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bs1 h ALA 170 CO 1.23 0.22 0.00 0.41 0.00 0.00 0.00 179.25 181.11 1bs1 n GLY 171 N 0.02 0.20 3.07 0.00 0.00 -1.21 -4.38 105.19 102.90 1bs1 n GLY 171 Ca -0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1bs1 n GLY 171 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1bs1 s TRP 172 N -2.00 0.60 -0.09 1.61 1.48 -0.35 -1.03 118.94 119.16 1bs1 s TRP 172 Ca 0.00 -0.70 0.02 0.00 -1.06 0.00 0.00 56.10 54.36 1bs1 s TRP 172 Cb 0.00 -0.38 0.01 0.00 -1.16 0.00 0.00 33.47 31.94 1bs1 s TRP 172 CO 0.00 -0.17 -0.15 0.08 -4.06 0.00 0.00 176.95 172.65 1bs1 s VAL 173 N -2.34 1.40 -0.08 -0.66 1.01 -0.57 0.05 120.40 119.20 1bs1 s VAL 173 Ca -0.03 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1bs1 s VAL 173 Cb -0.03 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1bs1 s VAL 173 CO -0.03 0.42 0.60 0.00 0.00 0.00 0.00 175.10 176.09 1bs1 s ALA 174 N 0.74 3.40 -0.15 5.51 0.00 -0.81 -0.69 121.76 129.77 1bs1 s ALA 174 Ca -0.12 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1bs1 s ALA 174 Cb -0.16 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.17 1bs1 s ALA 174 CO 0.03 -0.04 -0.15 1.21 0.00 0.00 0.00 175.76 176.80 1bs1 s ASN 175 N 0.66 2.72 -1.02 0.00 2.47 0.17 -0.98 114.94 118.96 1bs1 s ASN 175 Ca 0.32 -0.50 -0.21 0.00 0.42 0.00 0.00 52.86 52.89 1bs1 s ASN 175 Cb -0.17 -1.21 0.08 0.00 -1.45 0.00 0.00 41.25 38.50 1bs1 s ASN 175 CO 0.15 -0.04 1.38 -1.81 -3.72 0.00 0.00 177.10 173.06 1bs1 s ASP 176 N 1.38 6.58 0.51 -4.21 1.01 -0.26 -1.16 116.67 120.52 1bs1 s ASP 176 Ca 0.03 -1.74 0.30 0.00 0.71 0.00 0.00 52.55 51.85 1bs1 s ASP 176 Cb -0.13 -2.52 1.15 0.00 1.01 0.00 0.00 42.92 42.43 1bs1 s ASP 176 CO -0.10 -1.33 1.91 -0.37 0.21 0.00 0.00 175.17 175.49 1bs1 h VAL 177 N 6.36 0.18 -3.62 -1.27 -1.51 -1.88 -3.23 116.25 111.28 1bs1 h VAL 177 Ca 0.21 -0.75 -0.34 0.00 -1.23 0.00 0.00 66.70 64.59 1bs1 h VAL 177 Cb 1.00 1.63 -0.14 0.00 -2.13 0.00 0.00 31.29 31.64 1bs1 h VAL 177 CO 1.33 0.07 -0.64 0.42 -1.23 0.00 0.00 177.57 177.52 1bs1 s THR 178 N -3.63 0.74 0.87 7.19 -4.23 -1.26 -5.00 115.64 110.32 1bs1 s THR 178 Ca 0.01 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1bs1 s THR 178 Cb 0.09 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.61 1bs1 s THR 178 CO 0.58 -0.25 0.86 -2.65 -0.54 0.00 0.00 174.62 172.62 1bs1 n PRO 179 N -0.38 -0.10 -1.67 3.99 -0.02 -1.26 -4.72 135.00 130.83 1bs1 n PRO 179 Ca -0.04 0.03 -0.45 0.00 -2.02 0.00 0.00 63.50 61.02 1bs1 n PRO 179 Cb 0.65 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 1bs1 n PRO 179 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1bs1 n PRO 180 N -2.68 2.16 -4.51 0.52 -0.02 -1.26 -5.03 135.00 124.19 1bs1 n PRO 180 Ca 0.11 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 62.07 1bs1 n PRO 180 Cb 0.52 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 1bs1 n PRO 180 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bs1 s GLY 181 N 0.75 2.69 0.20 -1.23 0.00 -1.26 -5.08 107.32 103.39 1bs1 s GLY 181 Ca 0.76 -1.29 -0.19 0.00 0.00 0.00 0.00 44.72 43.99 1bs1 s GLY 181 CO 0.41 -2.09 1.59 1.70 0.00 0.00 0.00 173.10 174.70 1bs1 h LYS 182 N 1.40 -0.12 -1.01 2.90 3.64 -2.05 -2.89 116.57 118.43 1bs1 h LYS 182 Ca -0.43 0.01 -0.48 0.00 -1.27 0.00 0.00 60.65 58.48 1bs1 h LYS 182 Cb 1.28 0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 32.86 1bs1 h LYS 182 CO 0.73 -0.08 0.61 0.54 -2.27 0.00 0.00 179.45 178.98 1bs1 n ARG 183 N -5.44 2.16 0.02 1.90 5.12 -1.26 -4.63 116.66 114.53 1bs1 n ARG 183 Ca 0.05 -2.71 -0.12 0.00 -1.93 0.00 0.00 57.85 53.14 1bs1 n ARG 183 Cb 0.36 -2.06 -0.07 0.00 -1.16 0.00 0.00 32.46 29.52 1bs1 n ARG 183 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1bs1 h HIS 184 N 1.00 0.02 -0.68 -1.55 -0.00 -1.94 0.64 115.15 112.64 1bs1 h HIS 184 Ca 0.57 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.92 1bs1 h HIS 184 Cb 2.48 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 29.85 1bs1 h HIS 184 CO 1.41 0.12 0.35 0.00 -0.00 0.00 0.00 177.93 179.81 1bs1 h ALA 185 N 0.90 0.88 -0.51 5.26 0.00 -1.86 -0.46 119.26 123.47 1bs1 h ALA 185 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1bs1 h ALA 185 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bs1 h ALA 185 CO -0.00 0.42 0.09 0.93 0.00 0.00 0.00 179.25 180.69 1bs1 h GLU 186 N 0.94 0.80 -0.34 0.00 3.07 -1.82 -0.45 114.58 116.78 1bs1 h GLU 186 Ca 0.24 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 1bs1 h GLU 186 Cb 0.08 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1bs1 h GLU 186 CO -0.03 0.74 -0.04 1.88 -1.40 0.00 0.00 179.01 180.16 1bs1 h TYR 187 N 0.76 0.69 -0.90 4.33 -1.99 -0.44 -1.44 116.97 117.98 1bs1 h TYR 187 Ca 0.16 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1bs1 h TYR 187 Cb 0.33 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 38.84 1bs1 h TYR 187 CO 0.02 0.76 0.50 0.52 -0.00 0.00 0.00 178.16 179.96 1bs1 h MET 188 N 0.42 1.26 -0.41 4.88 2.86 -0.77 -0.61 114.93 122.55 1bs1 h MET 188 Ca 0.09 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1bs1 h MET 188 Cb 0.51 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1bs1 h MET 188 CO 0.02 0.91 0.10 1.15 1.06 0.00 0.00 176.91 180.16 1bs1 h THR 189 N 1.26 1.23 -0.14 2.22 2.02 -0.90 -0.94 112.91 117.66 1bs1 h THR 189 Ca 0.32 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1bs1 h THR 189 Cb 0.02 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1bs1 h THR 189 CO -0.05 0.27 0.09 0.74 0.37 0.00 0.00 175.52 176.94 1bs1 h THR 190 N 0.52 1.06 -0.81 3.16 2.02 -0.85 -1.75 112.91 116.26 1bs1 h THR 190 Ca 0.13 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1bs1 h THR 190 Cb 0.31 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1bs1 h THR 190 CO 0.00 0.06 0.36 -0.07 0.37 0.00 0.00 175.52 176.24 1bs1 h LEU 191 N 0.16 1.09 -0.57 2.58 3.38 -1.07 -1.38 115.31 119.50 1bs1 h LEU 191 Ca 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1bs1 h LEU 191 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1bs1 h LEU 191 CO -0.01 0.94 0.24 0.74 0.09 0.00 0.00 178.44 180.44 1bs1 h THR 192 N 1.17 1.22 -0.27 0.22 2.02 -0.99 -1.03 112.91 115.25 1bs1 h THR 192 Ca 0.27 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1bs1 h THR 192 Cb 0.17 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1bs1 h THR 192 CO -0.03 0.26 0.06 -0.09 0.37 0.00 0.00 175.52 176.09 1bs1 h ARG 193 N 0.78 0.44 0.00 6.66 2.43 -1.08 -3.34 114.38 120.26 1bs1 h ARG 193 Ca 0.19 -0.11 -0.20 0.00 -0.81 0.00 0.00 59.98 59.05 1bs1 h ARG 193 Cb 0.18 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1bs1 h ARG 193 CO -0.02 0.54 -0.97 0.52 -1.51 0.00 0.00 179.97 178.53 1bs1 h MET 194 N 0.27 0.00 -5.70 0.20 2.86 -1.11 -3.44 114.93 108.01 1bs1 h MET 194 Ca 0.08 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.12 1bs1 h MET 194 Cb 0.30 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.85 1bs1 h MET 194 CO 0.00 0.97 0.33 0.42 1.06 0.00 0.00 176.91 179.69 1bs1 s ILE 195 N -2.77 4.82 -1.45 -1.22 1.01 -0.40 -4.97 121.20 116.23 1bs1 s ILE 195 Ca 0.01 1.04 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 1bs1 s ILE 195 Cb 0.10 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 1bs1 s ILE 195 CO 0.81 -0.25 2.62 -0.81 0.00 0.00 0.00 174.94 177.31 1bs1 n PRO 196 N 6.16 3.17 -3.53 2.79 -0.04 -1.26 -4.79 135.00 137.49 1bs1 n PRO 196 Ca 0.02 -2.18 -0.08 0.00 -0.04 0.00 0.00 63.50 61.22 1bs1 n PRO 196 Cb 0.48 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 1bs1 n PRO 196 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bs1 s ALA 197 N 2.73 -1.87 0.36 0.55 0.00 -1.26 -4.84 121.76 117.42 1bs1 s ALA 197 Ca 0.60 1.20 -0.28 0.00 0.00 0.00 0.00 51.96 53.48 1bs1 s ALA 197 Cb 0.16 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.30 1bs1 s ALA 197 CO -0.05 -0.60 1.29 -1.25 0.00 0.00 0.00 175.76 175.15 1bs1 s PRO 198 N -2.61 4.24 -0.25 0.00 0.04 -1.26 -4.67 135.00 130.48 1bs1 s PRO 198 Ca 0.04 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 1bs1 s PRO 198 Cb -0.01 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1bs1 s PRO 198 CO -0.06 -0.27 1.16 -1.17 0.04 0.00 0.00 177.00 176.70 1bs1 s LEU 199 N -2.01 4.03 0.33 -3.56 2.96 -1.26 -1.22 118.68 117.95 1bs1 s LEU 199 Ca 0.52 1.32 0.24 0.00 -0.22 0.00 0.00 54.13 55.99 1bs1 s LEU 199 Cb -0.38 -3.54 0.41 0.00 0.50 0.00 0.00 46.19 43.18 1bs1 s LEU 199 CO 0.50 -0.84 1.56 -0.07 -1.32 0.00 0.00 176.35 176.18 1bs1 h LEU 200 N 9.99 0.00 0.00 -0.68 3.38 -0.73 -3.47 115.31 123.80 1bs1 h LEU 200 Ca -0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1bs1 h LEU 200 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1bs1 h LEU 200 CO 1.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.15 1bs1 n GLY 201 N 1.18 1.07 2.87 0.83 0.00 -1.26 -1.00 105.19 108.88 1bs1 n GLY 201 Ca 0.04 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 1bs1 n GLY 201 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bs1 s GLU 202 N -1.81 0.95 -0.22 1.61 2.12 -1.22 -1.92 118.70 118.21 1bs1 s GLU 202 Ca 0.00 -0.09 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 1bs1 s GLU 202 Cb 0.00 -1.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.30 1bs1 s GLU 202 CO 0.00 -0.17 0.32 0.42 -0.54 0.00 0.00 175.26 175.29 1bs1 s ILE 203 N 1.33 5.25 0.90 -3.70 1.01 -0.15 -4.86 121.20 120.98 1bs1 s ILE 203 Ca -0.04 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.02 1bs1 s ILE 203 Cb -0.14 -3.65 0.13 0.00 0.01 0.00 0.00 42.46 38.81 1bs1 s ILE 203 CO -0.03 0.27 1.11 -2.16 0.00 0.00 0.00 174.94 174.14 1bs1 s PRO 204 N 1.30 1.24 -0.25 2.79 0.04 -1.26 -1.10 135.00 137.75 1bs1 s PRO 204 Ca 0.15 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1bs1 s PRO 204 Cb -0.14 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1bs1 s PRO 204 CO 0.07 -2.17 1.61 -0.46 0.04 0.00 0.00 177.00 176.09 1bs1 s TRP 205 N -3.14 2.12 -0.60 0.56 -0.00 -1.22 -4.60 118.94 112.05 1bs1 s TRP 205 Ca 0.63 0.58 0.04 0.00 -0.00 0.00 0.00 56.10 57.36 1bs1 s TRP 205 Cb -0.16 -4.02 0.15 0.00 -0.00 0.00 0.00 33.47 29.45 1bs1 s TRP 205 CO 0.55 -2.81 0.38 -0.51 -0.00 0.00 0.00 176.95 174.55 1bs1 s LEU 206 N 5.38 4.25 0.17 5.86 1.43 -1.26 -5.01 118.68 129.50 1bs1 s LEU 206 Ca 0.71 -3.40 -0.23 0.00 -1.03 0.00 0.00 54.13 50.18 1bs1 s LEU 206 Cb -0.23 -1.52 0.07 0.00 0.03 0.00 0.00 46.19 44.54 1bs1 s LEU 206 CO 0.30 -0.16 1.59 0.00 0.23 0.00 0.00 176.35 178.31 1bs1 h ALA 207 N 5.93 -0.19 -2.71 4.21 0.00 -1.97 -3.36 119.26 121.17 1bs1 h ALA 207 Ca 0.06 0.12 -0.58 0.00 0.00 0.00 0.00 54.91 54.50 1bs1 h ALA 207 Cb 0.83 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 1bs1 h ALA 207 CO 0.67 -0.74 0.03 -2.00 0.00 0.00 0.00 179.25 177.20 1bs1 s GLU 208 N -5.96 4.29 -0.41 0.00 2.12 -1.26 -4.64 118.70 112.84 1bs1 s GLU 208 Ca -0.15 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 1bs1 s GLU 208 Cb 0.14 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1bs1 s GLU 208 CO 0.68 -0.06 0.30 0.09 -0.54 0.00 0.00 175.26 175.73 1bs1 n ASN 209 N 4.37 -2.40 0.24 -1.70 4.13 -1.26 -4.84 115.26 113.80 1bs1 n ASN 209 Ca -0.03 -0.48 0.12 0.00 1.68 0.00 0.00 54.58 55.86 1bs1 n ASN 209 Cb 0.51 -0.80 0.56 0.00 -1.54 0.00 0.00 39.78 38.51 1bs1 n ASN 209 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1bs1 h PRO 210 N 0.37 0.00 0.00 3.52 0.13 -1.83 -2.78 132.00 131.41 1bs1 h PRO 210 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1bs1 h PRO 210 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1bs1 h PRO 210 CO 0.18 0.17 -0.14 0.93 -0.23 0.00 0.00 178.00 178.91 1bs1 h GLU 211 N 0.00 0.00 -0.19 0.86 3.07 -1.91 -2.75 114.58 113.66 1bs1 h GLU 211 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1bs1 h GLU 211 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1bs1 h GLU 211 CO 0.02 0.14 0.00 0.09 -1.40 0.00 0.00 179.01 177.87 1bs1 n ASN 212 N -3.85 2.41 -4.78 1.42 4.13 -1.06 -4.93 115.26 108.60 1bs1 n ASN 212 Ca -0.02 -1.82 -0.33 0.00 1.68 0.00 0.00 54.58 54.09 1bs1 n ASN 212 Cb 0.24 -0.12 0.03 0.00 -1.54 0.00 0.00 39.78 38.39 1bs1 n ASN 212 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bs1 s ALA 213 N -0.91 2.59 -0.97 5.41 0.00 -1.04 -4.93 121.76 121.91 1bs1 s ALA 213 Ca 0.15 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 1bs1 s ALA 213 Cb 0.08 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1bs1 s ALA 213 CO 0.11 -1.06 1.38 0.00 0.00 0.00 0.00 175.76 176.18 1bs1 s ALA 214 N -2.33 2.81 -0.91 0.00 0.00 -1.26 -4.74 121.76 115.33 1bs1 s ALA 214 Ca 0.66 -2.22 0.11 0.00 0.00 0.00 0.00 51.96 50.51 1bs1 s ALA 214 Cb -0.19 -4.42 -0.02 0.00 0.00 0.00 0.00 23.12 18.49 1bs1 s ALA 214 CO 0.39 -3.48 0.62 0.25 0.00 0.00 0.00 175.76 173.54 1bs1 n THR 215 N 6.62 0.00 -0.26 0.00 -2.24 -1.26 -4.56 114.28 112.58 1bs1 n THR 215 Ca 0.28 -0.37 0.20 0.00 -2.27 0.00 0.00 64.05 61.89 1bs1 n THR 215 Cb 0.50 1.11 0.52 0.00 -2.10 0.00 0.00 70.33 70.36 1bs1 n THR 215 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bs1 h GLY 216 N 2.31 0.92 1.83 3.38 0.00 -1.85 -1.18 103.07 108.49 1bs1 h GLY 216 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1bs1 h GLY 216 CO 0.00 -0.03 0.08 0.07 0.00 0.00 0.00 176.54 176.66 1bs1 h LYS 217 N 0.39 0.00 -0.00 4.80 2.10 -1.89 -1.38 116.57 120.59 1bs1 h LYS 217 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1bs1 h LYS 217 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1bs1 h LYS 217 CO -0.20 0.00 -0.16 0.66 -2.00 0.00 0.00 179.45 177.76 1bs1 n TYR 218 N -3.11 0.00 -4.38 0.07 4.01 -0.44 -4.81 117.16 108.49 1bs1 n TYR 218 Ca -0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.37 1bs1 n TYR 218 Cb 0.15 -0.23 -0.11 0.00 -0.31 0.00 0.00 39.34 38.83 1bs1 n TYR 218 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bs1 s ILE 219 N -2.62 4.04 -0.61 -0.72 -1.09 -0.52 -3.45 121.20 116.23 1bs1 s ILE 219 Ca 0.24 -0.32 -0.10 0.00 -2.23 0.00 0.00 60.65 58.25 1bs1 s ILE 219 Cb 0.19 -2.75 0.16 0.00 -1.58 0.00 0.00 42.46 38.48 1bs1 s ILE 219 CO 0.51 0.52 0.50 0.21 -1.23 0.00 0.00 174.94 175.45 1bs1 s ASN 220 N 0.05 5.93 0.61 3.58 3.84 -0.17 -4.93 114.94 123.86 1bs1 s ASN 220 Ca 0.01 -2.33 0.40 0.00 0.21 0.00 0.00 52.86 51.14 1bs1 s ASN 220 Cb -0.13 -2.05 1.94 0.00 -0.55 0.00 0.00 41.25 40.46 1bs1 s ASN 220 CO 0.02 -0.60 2.19 0.25 -2.79 0.00 0.00 177.10 176.17 1bs1 h LEU 221 N 7.99 0.00 -0.81 3.21 5.85 -1.94 -2.19 115.31 127.41 1bs1 h LEU 221 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1bs1 h LEU 221 Cb 1.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1bs1 h LEU 221 CO 0.82 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 1bs1 n ALA 222 N -2.08 1.55 0.67 1.25 0.00 -1.26 -1.58 120.51 119.05 1bs1 n ALA 222 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1bs1 n ALA 222 Cb 0.18 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.50 1bs1 n ALA 222 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bs1 n LEU 223 N -2.22 0.64 -0.32 0.00 4.77 -0.82 -5.25 117.00 113.79 1bs1 n LEU 223 Ca 0.01 0.25 0.15 0.00 -0.03 0.00 0.00 56.01 56.39 1bs1 n LEU 223 Cb 0.19 -0.23 0.67 0.00 -2.33 0.00 0.00 43.42 41.72 1bs1 n LEU 223 CO 0.18 -0.04 0.95 -0.11 -1.33 0.00 0.00 177.39 177.04