#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwo h LEU 2 N 0.00 0.00 -0.83 -4.53 4.07 -1.00 -0.17 115.31 112.85 1pwo h LEU 2 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 1pwo h LEU 2 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1pwo h LEU 2 CO 0.00 0.00 -0.07 1.88 -1.08 0.00 0.00 178.44 179.17 1pwo h TYR 3 N 0.00 0.88 -0.01 1.13 0.99 -1.96 -1.68 116.97 116.31 1pwo h TYR 3 Ca 0.28 -0.15 -0.20 0.00 2.00 0.00 0.00 58.73 60.66 1pwo h TYR 3 Cb 1.12 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.61 1pwo h TYR 3 CO 0.00 0.84 -0.86 1.96 -0.00 0.00 0.00 178.16 180.10 1pwo h GLN 4 N 0.74 0.30 -0.63 4.88 4.20 -1.45 -2.60 115.11 120.55 1pwo h GLN 4 Ca 0.13 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1pwo h GLN 4 Cb 0.54 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1pwo h GLN 4 CO 0.03 1.00 0.16 0.35 -0.67 0.00 0.00 178.83 179.70 1pwo h PHE 5 N 0.18 1.04 0.01 2.96 3.57 -1.18 0.96 116.94 124.48 1pwo h PHE 5 Ca -0.05 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.35 1pwo h PHE 5 Cb 1.48 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1pwo h PHE 5 CO 0.04 0.87 -0.17 -0.09 -2.23 0.00 0.00 178.31 176.73 1pwo h ARG 6 N 0.92 -0.27 -0.58 1.11 2.43 -1.22 -1.84 114.38 114.92 1pwo h ARG 6 Ca 0.20 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1pwo h ARG 6 Cb 0.34 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1pwo h ARG 6 CO -0.00 -0.18 0.34 0.87 -1.51 0.00 0.00 179.97 179.49 1pwo h LYS 7 N -0.28 0.78 -0.35 0.20 1.57 -1.13 -1.13 116.57 116.22 1pwo h LYS 7 Ca 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1pwo h LYS 7 Cb 0.34 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1pwo h LYS 7 CO -0.15 0.55 0.18 0.52 -0.57 0.00 0.00 179.45 179.98 1pwo h MET 8 N 0.80 0.50 -0.71 3.15 2.86 -0.19 0.55 114.93 121.88 1pwo h MET 8 Ca 0.21 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1pwo h MET 8 Cb -0.02 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1pwo h MET 8 CO -0.04 0.44 0.38 0.82 1.06 0.00 0.00 176.91 179.57 1pwo h ILE 9 N 0.44 1.22 0.00 -1.22 2.04 -0.87 0.13 117.51 119.24 1pwo h ILE 9 Ca 0.12 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1pwo h ILE 9 Cb 0.10 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1pwo h ILE 9 CO -0.02 0.24 -0.12 0.11 0.00 0.00 0.00 178.15 178.37 1pwo h LYS 10 N 1.00 0.00 -0.06 2.37 1.57 -0.34 -1.19 116.57 119.92 1pwo h LYS 10 Ca 0.25 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1pwo h LYS 10 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1pwo h LYS 10 CO -0.04 0.12 -0.29 0.00 -0.57 0.00 0.00 179.45 178.67 1pwo h THR 12 N -0.20 0.24 -1.83 0.00 1.35 -1.16 -3.41 112.91 107.91 1pwo h THR 12 Ca -0.02 -1.45 -0.49 0.00 -0.55 0.00 0.00 66.41 63.90 1pwo h THR 12 Cb 0.94 1.80 -0.34 0.00 -1.73 0.00 0.00 68.15 68.83 1pwo h THR 12 CO 0.06 0.14 -0.93 0.00 -0.25 0.00 0.00 175.52 174.54 1pwo n ILE 13 N -2.83 -0.76 0.10 6.82 0.13 -0.47 -4.78 119.36 117.57 1pwo n ILE 13 Ca -0.03 -3.20 0.01 0.00 -1.10 0.00 0.00 62.75 58.43 1pwo n ILE 13 Cb 0.67 -1.17 0.35 0.00 -0.84 0.00 0.00 39.64 38.65 1pwo n ILE 13 CO 0.00 0.00 0.00 -0.65 2.80 0.00 0.00 176.55 178.70 1pwo h PRO 14 N 4.74 0.26 0.00 9.51 0.11 -1.71 -3.11 132.00 141.80 1pwo h PRO 14 Ca 0.12 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1pwo h PRO 14 Cb 0.93 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1pwo h PRO 14 CO 0.36 0.44 0.00 0.41 -0.21 0.00 0.00 178.00 179.00 1pwo n GLY 15 N -0.74 -0.40 3.12 -0.55 0.00 -1.26 -4.75 105.19 100.61 1pwo n GLY 15 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1pwo n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwo s ARG 16 N -2.00 0.69 -0.45 1.61 0.52 -1.18 -5.12 118.95 113.03 1pwo s ARG 16 Ca 0.03 -0.95 -0.18 0.00 -0.52 0.00 0.00 55.73 54.12 1pwo s ARG 16 Cb 0.02 -0.46 0.04 0.00 0.52 0.00 0.00 34.95 35.06 1pwo s ARG 16 CO 0.03 0.08 0.48 -2.00 0.02 0.00 0.00 175.30 173.91 1pwo s GLU 17 N -2.10 3.09 0.22 3.54 2.56 -1.26 -4.88 118.70 119.86 1pwo s GLU 17 Ca -0.03 -0.87 -0.16 0.00 0.00 0.00 0.00 54.97 53.92 1pwo s GLU 17 Cb -0.07 -4.02 0.25 0.00 2.00 0.00 0.00 34.13 32.28 1pwo s GLU 17 CO 0.00 -0.97 1.48 -2.30 -0.56 0.00 0.00 175.26 172.91 1pwo n PRO 18 N 5.70 -0.21 0.40 4.30 -0.02 -1.26 -0.62 135.00 143.29 1pwo n PRO 18 Ca -0.08 1.47 -0.19 0.00 -2.02 0.00 0.00 63.50 62.68 1pwo n PRO 18 Cb 0.46 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1pwo n PRO 18 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pwo h LEU 19 N 0.00 -1.24 -1.43 2.45 6.46 -1.93 0.30 115.31 119.92 1pwo h LEU 19 Ca 0.34 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 58.15 1pwo h LEU 19 Cb 0.58 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1pwo h LEU 19 CO -0.95 -0.73 0.03 -0.07 -0.62 0.00 0.00 178.44 176.10 1pwo h LEU 20 N -1.15 0.37 0.11 2.25 3.38 -1.93 -2.94 115.31 115.41 1pwo h LEU 20 Ca -0.10 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.55 1pwo h LEU 20 Cb 0.94 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1pwo h LEU 20 CO 0.07 0.41 -1.42 0.00 0.09 0.00 0.00 178.44 177.60 1pwo h ALA 21 N 1.64 0.19 -0.25 1.53 0.00 -0.68 -3.42 119.26 118.27 1pwo h ALA 21 Ca 0.09 -1.10 -0.11 0.00 0.00 0.00 0.00 54.91 53.79 1pwo h ALA 21 Cb 0.22 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1pwo h ALA 21 CO 0.00 0.84 -0.13 1.19 0.00 0.00 0.00 179.25 181.15 1pwo n PHE 22 N -3.94 0.81 -0.04 0.00 3.72 0.10 -4.63 117.46 113.49 1pwo n PHE 22 Ca -0.26 -1.43 0.00 0.00 -0.05 0.00 0.00 57.45 55.72 1pwo n PHE 22 Cb 0.89 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1pwo n PHE 22 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pwo n THR 23 N -1.06 0.00 -2.62 4.37 -1.04 -1.11 -3.86 114.28 108.96 1pwo n THR 23 Ca 0.28 -0.42 -0.01 0.00 -2.04 0.00 0.00 64.05 61.86 1pwo n THR 23 Cb 0.93 1.04 0.05 0.00 -1.82 0.00 0.00 70.33 70.52 1pwo n THR 23 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pwo n ASP 24 N -0.65 1.74 -4.71 8.00 2.03 -1.17 -2.49 116.55 119.30 1pwo n ASP 24 Ca 0.00 -2.25 -0.33 0.00 0.52 0.00 0.00 54.79 52.73 1pwo n ASP 24 Cb 0.01 -0.42 -0.08 0.00 -0.72 0.00 0.00 41.12 39.90 1pwo n ASP 24 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1pwo s TYR 25 N -2.78 3.14 0.00 -0.67 6.14 -1.16 -0.80 117.35 121.22 1pwo s TYR 25 Ca 0.32 0.12 0.00 0.00 0.64 0.00 0.00 57.07 58.14 1pwo s TYR 25 Cb 0.35 -1.69 0.00 0.00 0.42 0.00 0.00 41.96 41.04 1pwo s TYR 25 CO -0.07 0.49 0.00 0.41 0.64 0.00 0.00 175.55 177.02 1pwo n GLY 26 N 1.34 1.79 0.09 8.97 0.00 -0.46 -1.84 105.19 115.07 1pwo n GLY 26 Ca -0.14 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1pwo n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwo n TYR 28 N -1.09 0.00 -1.57 0.00 4.02 -1.25 -4.10 117.16 113.17 1pwo n TYR 28 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1pwo n TYR 28 Cb 0.27 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.56 1pwo n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pwo n GLY 30 N 5.93 2.34 3.78 0.00 0.00 -1.25 -3.01 105.19 112.98 1pwo n GLY 30 Ca 0.33 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1pwo n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwo s LYS 31 N 0.00 4.45 0.00 1.61 -0.14 -1.04 -4.96 119.74 119.66 1pwo s LYS 31 Ca 0.00 1.47 0.00 0.00 -1.36 0.00 0.00 55.97 56.08 1pwo s LYS 31 Cb 0.00 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 1pwo s LYS 31 CO 0.00 0.12 0.00 0.41 -0.76 0.00 0.00 175.35 175.12 1pwo n GLY 32 N 0.61 0.02 0.00 -3.33 0.00 -1.26 -4.41 105.19 96.82 1pwo n GLY 32 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pwo n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwo n GLY 33 N 0.00 4.13 0.00 -0.02 0.00 -1.26 -4.47 105.19 103.58 1pwo n GLY 33 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1pwo n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pwo n SER 34 N -2.50 0.00 0.00 1.61 3.41 -1.26 -4.92 113.62 109.96 1pwo n SER 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pwo n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pwo n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwo n GLY 35 N 1.58 -1.85 3.47 5.00 0.00 -1.26 -4.73 105.19 107.40 1pwo n GLY 35 Ca 0.00 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1pwo n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pwo s THR 36 N 0.00 3.83 0.18 2.61 2.01 -1.26 -4.96 115.64 118.05 1pwo s THR 36 Ca 0.00 -0.38 -0.32 0.00 0.31 0.00 0.00 61.69 61.30 1pwo s THR 36 Cb 0.00 -2.68 -0.16 0.00 0.01 0.00 0.00 72.50 69.67 1pwo s THR 36 CO 0.00 0.48 1.09 -2.65 -0.69 0.00 0.00 174.62 172.86 1pwo n PRO 37 N 3.68 1.07 0.21 4.92 -0.02 -1.26 -4.86 135.00 138.74 1pwo n PRO 37 Ca -0.17 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 61.76 1pwo n PRO 37 Cb 0.52 -1.82 0.48 0.00 -0.02 0.00 0.00 33.50 32.66 1pwo n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1pwo h VAL 38 N 2.46 0.87 -2.23 -1.45 -1.51 -1.93 -3.47 116.25 108.99 1pwo h VAL 38 Ca -0.42 -1.09 0.05 0.00 -1.23 0.00 0.00 66.70 64.00 1pwo h VAL 38 Cb 1.35 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 1pwo h VAL 38 CO 0.68 0.27 0.24 -0.90 -1.23 0.00 0.00 177.57 176.63 1pwo n ASP 39 N -3.73 -0.99 -0.32 4.19 5.68 -1.26 -5.00 116.55 115.12 1pwo n ASP 39 Ca -0.01 -1.59 0.07 0.00 -0.50 0.00 0.00 54.79 52.76 1pwo n ASP 39 Cb 0.38 1.62 0.22 0.00 -1.14 0.00 0.00 41.12 42.21 1pwo n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1pwo h GLU 40 N 0.00 0.78 -0.15 0.11 4.81 -1.91 0.12 114.58 118.34 1pwo h GLU 40 Ca -0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1pwo h GLU 40 Cb 0.61 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1pwo h GLU 40 CO 0.20 0.52 0.02 1.25 -0.73 0.00 0.00 179.01 180.26 1pwo h LEU 41 N 0.81 0.24 -0.76 1.64 5.85 -1.93 0.23 115.31 121.39 1pwo h LEU 41 Ca 0.47 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1pwo h LEU 41 Cb 0.55 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1pwo h LEU 41 CO -0.30 0.45 0.42 -0.78 -0.34 0.00 0.00 178.44 177.89 1pwo h ASP 42 N 0.02 0.61 -0.24 1.25 -0.00 -1.67 -1.51 116.42 114.89 1pwo h ASP 42 Ca 0.04 0.04 -0.08 0.00 -0.00 0.00 0.00 57.03 57.03 1pwo h ASP 42 Cb 0.31 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 39.55 1pwo h ASP 42 CO 0.00 0.37 -0.12 -0.09 -0.00 0.00 0.00 179.24 179.41 1pwo h ARG 43 N 0.74 0.64 -0.62 0.28 2.43 -0.28 -1.43 114.38 116.14 1pwo h ARG 43 Ca 0.35 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1pwo h ARG 43 Cb 0.28 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1pwo h ARG 43 CO -0.22 0.75 0.41 0.00 -1.51 0.00 0.00 179.97 179.39 1pwo h GLN 46 N 0.00 0.28 0.00 0.00 4.15 -0.74 -3.33 115.11 115.46 1pwo h GLN 46 Ca 0.00 -0.48 -0.04 0.00 0.77 0.00 0.00 58.65 58.90 1pwo h GLN 46 Cb 0.12 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1pwo h GLN 46 CO 0.00 1.23 -0.19 1.79 -1.93 0.00 0.00 178.83 179.73 1pwo h THR 47 N -0.06 0.43 -3.64 2.39 1.35 -1.08 -2.48 112.91 109.81 1pwo h THR 47 Ca -0.37 -1.11 -0.80 0.00 -0.55 0.00 0.00 66.41 63.58 1pwo h THR 47 Cb 1.95 1.81 -0.27 0.00 -1.73 0.00 0.00 68.15 69.91 1pwo h THR 47 CO 0.09 0.19 0.36 -2.28 -0.25 0.00 0.00 175.52 173.62 1pwo s HIS 48 N -3.53 4.14 0.00 4.73 5.65 -0.32 -1.95 115.29 124.00 1pwo s HIS 48 Ca 0.02 -2.51 0.00 0.00 0.25 0.00 0.00 55.06 52.82 1pwo s HIS 48 Cb 0.09 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.66 1pwo s HIS 48 CO 0.63 -0.96 0.00 -3.47 -0.65 0.00 0.00 174.74 170.29 1pwo n ASP 49 N 3.04 0.00 0.01 9.88 -0.08 -1.16 -4.69 116.55 123.55 1pwo n ASP 49 Ca 0.21 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.38 1pwo n ASP 49 Cb 0.41 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.79 1pwo n ASP 49 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1pwo h ASN 50 N 0.00 -0.10 -0.91 1.67 -0.26 -1.42 -2.94 115.58 111.62 1pwo h ASN 50 Ca 0.00 -0.49 0.19 0.00 -0.56 0.00 0.00 56.30 55.44 1pwo h ASN 50 Cb 0.00 0.03 -0.11 0.00 -1.06 0.00 0.00 38.32 37.18 1pwo h ASN 50 CO 0.00 0.53 0.47 0.00 -1.06 0.00 0.00 177.43 177.36 1pwo h TYR 52 N 0.57 0.93 -0.36 0.00 -1.99 -1.83 -0.69 116.97 113.60 1pwo h TYR 52 Ca 0.53 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 61.15 1pwo h TYR 52 Cb 0.89 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.33 1pwo h TYR 52 CO -0.08 0.77 0.12 -0.44 -0.00 0.00 0.00 178.16 178.53 1pwo h ASP 53 N 0.87 0.51 -0.06 3.88 3.45 -0.11 -2.42 116.42 122.55 1pwo h ASP 53 Ca 0.19 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.49 1pwo h ASP 53 Cb 0.30 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 38.89 1pwo h ASP 53 CO -0.00 0.57 -0.19 0.11 -1.57 0.00 0.00 179.24 178.16 1pwo h LYS 54 N 0.43 -0.26 -0.98 3.56 1.57 -0.30 -2.15 116.57 118.44 1pwo h LYS 54 Ca 0.12 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.10 1pwo h LYS 54 Cb 0.23 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 1pwo h LYS 54 CO -0.01 -0.18 0.61 0.00 -0.57 0.00 0.00 179.45 179.31 1pwo h ALA 55 N 0.68 1.79 -0.19 3.86 0.00 -0.99 0.33 119.26 124.74 1pwo h ALA 55 Ca 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1pwo h ALA 55 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1pwo h ALA 55 CO -0.22 -0.12 -0.27 0.93 0.00 0.00 0.00 179.25 179.57 1pwo h GLU 56 N 0.71 0.37 0.00 0.00 5.08 -0.89 -2.75 114.58 117.09 1pwo h GLU 56 Ca 0.54 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 1pwo h GLU 56 Cb 0.92 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1pwo h GLU 56 CO -0.31 0.61 -0.97 0.87 -1.00 0.00 0.00 179.01 178.21 1pwo h LYS 57 N 0.32 0.00 -5.71 2.33 1.57 -0.94 -3.46 116.57 110.69 1pwo h LYS 57 Ca 0.05 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.22 1pwo h LYS 57 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1pwo h LYS 57 CO 0.05 0.15 1.52 -0.11 -0.57 0.00 0.00 179.45 180.48 1pwo n LEU 58 N -2.85 1.56 -0.38 2.94 7.94 0.10 -4.71 117.00 121.61 1pwo n LEU 58 Ca -0.02 0.24 0.31 0.00 -1.11 0.00 0.00 56.01 55.42 1pwo n LEU 58 Cb 0.66 -1.19 0.61 0.00 0.53 0.00 0.00 43.42 44.03 1pwo n LEU 58 CO 0.40 -0.88 1.25 -0.65 -1.11 0.00 0.00 177.39 176.41 1pwo h PRO 59 N 13.04 0.21 0.00 1.96 0.11 -1.88 0.43 132.00 145.87 1pwo h PRO 59 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1pwo h PRO 59 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pwo h PRO 59 CO 1.13 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 179.45 1pwo n GLU 60 N -4.55 0.25 -4.29 1.05 1.02 -1.26 -4.41 120.64 108.45 1pwo n GLU 60 Ca 0.30 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.12 1pwo n GLU 60 Cb 1.16 -1.26 -0.16 0.00 -0.02 0.00 0.00 31.44 31.16 1pwo n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwo s LYS 62 N 1.15 0.53 0.00 0.00 1.02 -1.26 -4.89 119.74 116.30 1pwo s LYS 62 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.02 1pwo s LYS 62 Cb -0.14 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1pwo s LYS 62 CO -0.09 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1pwo n GLY 63 N 1.92 -0.83 3.74 -3.33 0.00 -1.26 -4.71 105.19 100.72 1pwo n GLY 63 Ca -0.18 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 1pwo n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pwo n ILE 64 N -0.87 2.62 -2.22 -0.61 2.08 -1.26 -2.85 119.36 116.24 1pwo n ILE 64 Ca 0.00 -0.50 -0.15 0.00 0.56 0.00 0.00 62.75 62.66 1pwo n ILE 64 Cb 0.00 -1.74 -0.01 0.00 -0.75 0.00 0.00 39.64 37.14 1pwo n ILE 64 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1pwo n LEU 65 N 0.05 -1.63 -0.01 1.39 4.77 -1.26 -4.88 117.00 115.43 1pwo n LEU 65 Ca 0.05 0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.14 1pwo n LEU 65 Cb 0.40 -2.24 -0.14 0.00 -2.33 0.00 0.00 43.42 39.12 1pwo n LEU 65 CO 0.60 -0.20 -0.64 -1.54 -1.33 0.00 0.00 177.39 174.28 1pwo n SER 66 N -0.81 0.86 -4.72 -1.43 3.41 -1.13 -3.98 113.62 105.81 1pwo n SER 66 Ca -0.17 -0.11 -0.38 0.00 -0.26 0.00 0.00 58.87 57.95 1pwo n SER 66 Cb 0.62 1.73 0.06 0.00 -0.26 0.00 0.00 64.21 66.36 1pwo n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwo n GLY 67 N 1.47 0.55 0.35 5.00 0.00 -1.26 -4.59 105.19 106.70 1pwo n GLY 67 Ca -0.03 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.97 1pwo n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pwo h PRO 68 N 0.82 0.92 -0.51 1.61 0.13 -1.90 1.03 132.00 134.11 1pwo h PRO 68 Ca -0.51 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.47 1pwo h PRO 68 Cb 1.33 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1pwo h PRO 68 CO 0.54 0.61 -0.06 1.88 -0.23 0.00 0.00 178.00 180.74 1pwo h TYR 69 N 0.95 1.03 0.00 1.56 0.05 -1.94 -3.33 116.97 115.29 1pwo h TYR 69 Ca 0.48 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1pwo h TYR 69 Cb 0.48 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1pwo h TYR 69 CO -0.01 0.98 -1.23 1.33 -1.05 0.00 0.00 178.16 178.17 1pwo n VAL 70 N -4.25 0.00 -2.25 -2.88 0.24 -1.01 -0.59 118.33 107.59 1pwo n VAL 70 Ca 0.01 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 1pwo n VAL 70 Cb 0.36 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 1pwo n VAL 70 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pwo s ASN 71 N -3.24 6.86 -0.36 -1.34 3.84 0.35 -4.67 114.94 116.38 1pwo s ASN 71 Ca 0.01 2.05 -0.18 0.00 0.21 0.00 0.00 52.86 54.96 1pwo s ASN 71 Cb 0.13 -2.56 -0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1pwo s ASN 71 CO 0.74 -0.73 0.48 -0.89 -2.79 0.00 0.00 177.10 173.92 1pwo s THR 72 N 2.65 5.04 0.26 -5.21 2.01 -1.26 0.15 115.64 119.29 1pwo s THR 72 Ca 0.63 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.86 1pwo s THR 72 Cb -0.30 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.29 1pwo s THR 72 CO 0.25 -0.24 0.35 0.00 -0.69 0.00 0.00 174.62 174.29 1pwo n TYR 73 N 5.69 -2.57 -4.21 4.92 0.18 -1.26 -4.89 117.16 115.03 1pwo n TYR 73 Ca -0.06 -0.97 -0.33 0.00 1.88 0.00 0.00 57.90 58.42 1pwo n TYR 73 Cb 0.49 -0.25 -0.16 0.00 -0.38 0.00 0.00 39.34 39.04 1pwo n TYR 73 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1pwo s SER 74 N -2.63 3.39 0.31 9.48 0.15 -1.26 -4.91 113.70 118.23 1pwo s SER 74 Ca 0.27 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.37 1pwo s SER 74 Cb -0.02 -1.53 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 1pwo s SER 74 CO 0.17 0.02 0.30 -0.72 1.20 0.00 0.00 173.24 174.21 1pwo s TYR 75 N 1.20 1.47 -0.06 3.44 -0.85 -1.26 -0.50 117.35 120.79 1pwo s TYR 75 Ca 0.02 -1.51 -0.06 0.00 -0.52 0.00 0.00 57.07 55.00 1pwo s TYR 75 Cb -0.14 -0.53 0.01 0.00 0.38 0.00 0.00 41.96 41.68 1pwo s TYR 75 CO -0.08 -0.89 0.16 0.34 -1.52 0.00 0.00 175.55 173.56 1pwo s ASP 76 N -3.30 -0.16 -0.22 -0.18 2.15 -0.71 -4.88 116.67 109.38 1pwo s ASP 76 Ca 0.38 0.29 0.02 0.00 0.43 0.00 0.00 52.55 53.67 1pwo s ASP 76 Cb 0.03 0.33 0.04 0.00 -0.30 0.00 0.00 42.92 43.01 1pwo s ASP 76 CO 0.23 -0.08 -0.14 0.00 -0.17 0.00 0.00 175.17 175.01 1pwo s THR 78 N 1.25 0.18 -1.49 0.00 2.01 -0.66 -4.88 115.64 112.05 1pwo s THR 78 Ca -0.02 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1pwo s THR 78 Cb -0.17 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1pwo s THR 78 CO -0.09 0.17 0.14 0.47 -0.69 0.00 0.00 174.62 174.63 1pwo n ASP 79 N 4.51 0.12 0.00 3.53 9.92 -1.26 -0.44 116.55 132.94 1pwo n ASP 79 Ca -0.19 -1.25 0.00 0.00 -0.53 0.00 0.00 54.79 52.82 1pwo n ASP 79 Cb 0.50 -1.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.19 1pwo n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pwo n GLY 80 N -2.45 0.47 3.53 0.44 0.00 -1.26 -5.01 105.19 100.91 1pwo n GLY 80 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1pwo n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwo s LYS 81 N -0.55 2.49 -0.08 1.61 1.02 0.42 -4.63 119.74 120.02 1pwo s LYS 81 Ca 0.00 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1pwo s LYS 81 Cb 0.00 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1pwo s LYS 81 CO 0.00 0.61 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.43 1pwo s LEU 82 N -1.09 2.96 -0.04 3.17 1.43 -1.26 -1.65 118.68 122.21 1pwo s LEU 82 Ca 0.14 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1pwo s LEU 82 Cb -0.11 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1pwo s LEU 82 CO 0.04 0.31 0.06 0.28 0.23 0.00 0.00 176.35 177.27 1pwo s THR 83 N -0.53 -0.09 -0.20 5.49 -1.32 -1.00 -5.01 115.64 112.98 1pwo s THR 83 Ca 0.07 0.28 -0.25 0.00 -1.21 0.00 0.00 61.69 60.58 1pwo s THR 83 Cb -0.12 -0.14 -0.01 0.00 -1.51 0.00 0.00 72.50 70.73 1pwo s THR 83 CO 0.02 0.11 0.84 0.00 -2.21 0.00 0.00 174.62 173.38 1pwo n ASN 85 N 5.61 0.48 -4.74 0.00 3.02 0.35 -4.94 115.26 115.04 1pwo n ASN 85 Ca 0.05 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 1pwo n ASN 85 Cb 0.48 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 1pwo n ASN 85 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1pwo s ASP 86 N -3.41 6.84 0.08 6.41 1.01 -1.23 -4.90 116.67 121.47 1pwo s ASP 86 Ca 0.10 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.81 1pwo s ASP 86 Cb 0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1pwo s ASP 86 CO 0.67 -0.57 0.00 0.00 0.21 0.00 0.00 175.17 175.48 1pwo n GLN 87 N 2.67 0.00 0.47 8.23 6.02 -1.26 -4.77 117.38 128.74 1pwo n GLN 87 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.85 1pwo n GLN 87 Cb 0.42 -0.29 -0.10 0.00 1.02 0.00 0.00 30.24 31.29 1pwo n GLN 87 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1pwo h LYS 88 N 0.00 -1.22 -6.10 -1.09 2.10 -2.05 -3.36 116.57 104.85 1pwo h LYS 88 Ca 0.00 0.08 -0.57 0.00 -2.00 0.00 0.00 60.65 58.16 1pwo h LYS 88 Cb 0.00 0.28 -0.10 0.00 -0.90 0.00 0.00 32.23 31.51 1pwo h LYS 88 CO 0.00 -0.81 0.99 0.34 -2.00 0.00 0.00 179.45 177.96 1pwo s ASP 89 N -4.10 6.21 0.00 7.07 3.68 -1.26 -4.81 116.67 123.46 1pwo s ASP 89 Ca -0.19 -0.72 0.14 0.00 2.13 0.00 0.00 52.55 53.91 1pwo s ASP 89 Cb 0.03 -2.53 0.85 0.00 -1.45 0.00 0.00 42.92 39.82 1pwo s ASP 89 CO 0.60 -1.70 1.54 0.29 0.13 0.00 0.00 175.17 176.03 1pwo n LYS 90 N 8.89 0.99 -0.10 4.34 5.02 -1.26 -2.14 118.16 133.90 1pwo n LYS 90 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 1pwo n LYS 90 Cb 0.48 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 34.15 1pwo n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pwo h LYS 92 N -0.98 0.45 -0.58 0.00 1.57 -1.87 -2.08 116.57 113.08 1pwo h LYS 92 Ca -0.34 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1pwo h LYS 92 Cb 1.31 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1pwo h LYS 92 CO -0.20 0.34 0.39 1.25 -0.57 0.00 0.00 179.45 180.66 1pwo h LEU 93 N 0.43 0.41 -0.10 2.94 5.85 -1.59 0.13 115.31 123.38 1pwo h LEU 93 Ca 0.12 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.60 1pwo h LEU 93 Cb 0.00 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 40.96 1pwo h LEU 93 CO -0.02 0.26 -0.91 0.15 -0.34 0.00 0.00 178.44 177.58 1pwo h PHE 94 N 0.46 1.01 -0.49 1.25 3.57 -1.37 -2.34 116.94 119.03 1pwo h PHE 94 Ca 0.26 -0.50 -0.08 0.00 3.53 0.00 0.00 57.97 61.18 1pwo h PHE 94 Cb 0.41 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1pwo h PHE 94 CO -0.00 1.33 -0.00 0.82 -2.23 0.00 0.00 178.31 178.23 1pwo h ILE 95 N 0.45 1.25 -0.55 1.41 1.08 -0.67 -2.23 117.51 118.24 1pwo h ILE 95 Ca -0.09 -1.02 -0.11 0.00 -0.39 0.00 0.00 64.86 63.25 1pwo h ILE 95 Cb 1.54 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 1pwo h ILE 95 CO 0.18 0.36 -0.10 0.00 -0.69 0.00 0.00 178.15 177.90 1pwo h ASN 97 N 0.93 0.98 -0.45 0.00 2.35 -1.12 0.23 115.58 118.50 1pwo h ASN 97 Ca 0.14 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1pwo h ASN 97 Cb 0.67 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1pwo h ASN 97 CO 0.05 0.95 0.23 0.00 -1.65 0.00 0.00 177.43 177.01 1pwo h ASP 99 N 0.46 -0.04 -0.26 0.00 3.32 -1.32 -1.86 116.42 116.72 1pwo h ASP 99 Ca 0.19 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1pwo h ASP 99 Cb 0.09 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1pwo h ASP 99 CO -0.13 0.20 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.46 1pwo h ARG 100 N -0.29 0.03 -0.50 3.56 2.43 -0.20 0.55 114.38 119.97 1pwo h ARG 100 Ca -0.01 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1pwo h ARG 100 Cb 0.26 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1pwo h ARG 100 CO 0.01 0.02 0.26 1.15 -1.51 0.00 0.00 179.97 179.90 1pwo h THR 101 N 0.03 0.98 0.55 0.20 2.02 -0.55 0.15 112.91 116.29 1pwo h THR 101 Ca 0.12 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1pwo h THR 101 Cb 0.18 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1pwo h THR 101 CO -0.24 0.09 -0.26 0.00 0.37 0.00 0.00 175.52 175.48 1pwo h ALA 102 N 1.26 -0.74 -0.96 6.16 0.00 -0.94 -1.46 119.26 122.59 1pwo h ALA 102 Ca 0.21 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1pwo h ALA 102 Cb 0.10 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1pwo h ALA 102 CO -0.14 -0.74 0.61 0.00 0.00 0.00 0.00 179.25 178.98 1pwo h ALA 103 N -0.90 1.66 0.00 0.00 0.00 -0.88 0.82 119.26 119.96 1pwo h ALA 103 Ca -0.08 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1pwo h ALA 103 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pwo h ALA 103 CO 0.12 0.09 -0.27 1.98 0.00 0.00 0.00 179.25 181.17 1pwo h MET 104 N 0.86 0.00 0.00 0.00 -1.53 -0.67 -2.88 114.93 110.71 1pwo h MET 104 Ca 0.49 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.59 1pwo h MET 104 Cb 0.62 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.64 1pwo h MET 104 CO -0.25 0.27 -1.26 0.00 0.14 0.00 0.00 176.91 175.81 1pwo h PHE 106 N 0.00 0.95 0.45 0.00 -1.00 0.76 -3.14 116.94 114.96 1pwo h PHE 106 Ca -0.13 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.44 1pwo h PHE 106 Cb 1.54 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.86 1pwo h PHE 106 CO 0.00 0.92 -0.22 0.00 -1.61 0.00 0.00 178.31 177.41 1pwo h ALA 107 N 1.09 -0.84 0.00 2.45 0.00 -1.67 -3.12 119.26 117.17 1pwo h ALA 107 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pwo h ALA 107 Cb 0.63 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1pwo h ALA 107 CO 0.04 -0.80 0.00 1.63 0.00 0.00 0.00 179.25 180.12 1pwo n LYS 108 N -4.19 0.49 -4.72 0.00 4.76 -1.24 -4.68 118.16 108.58 1pwo n LYS 108 Ca -0.07 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.11 1pwo n LYS 108 Cb 0.24 -1.25 -0.16 0.00 -1.84 0.00 0.00 35.03 32.01 1pwo n LYS 108 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pwo s ALA 109 N 0.30 1.40 0.08 7.82 0.00 -1.18 -5.04 121.76 125.14 1pwo s ALA 109 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1pwo s ALA 109 Cb 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 23.12 22.49 1pwo s ALA 109 CO 0.00 0.20 1.88 -2.14 0.00 0.00 0.00 175.76 175.69 1pwo s PRO 110 N 0.33 4.14 -0.23 0.00 0.02 -1.26 -4.95 135.00 133.06 1pwo s PRO 110 Ca -0.09 2.59 -0.15 0.00 0.02 0.00 0.00 61.00 63.36 1pwo s PRO 110 Cb -0.13 -3.84 -0.04 0.00 0.02 0.00 0.00 34.50 30.51 1pwo s PRO 110 CO 0.03 -0.89 0.38 -0.47 -0.33 0.00 0.00 177.00 175.72 1pwo s TYR 111 N 3.49 3.33 -0.42 6.54 5.04 -1.26 -4.56 117.35 129.50 1pwo s TYR 111 Ca 0.84 0.53 -0.06 0.00 -2.44 0.00 0.00 57.07 55.94 1pwo s TYR 111 Cb -0.44 -2.53 0.10 0.00 0.35 0.00 0.00 41.96 39.45 1pwo s TYR 111 CO 0.38 -0.07 0.25 0.42 -1.34 0.00 0.00 175.55 175.18 1pwo s ILE 112 N 1.54 3.73 0.25 3.14 -1.09 -1.26 -4.98 121.20 122.53 1pwo s ILE 112 Ca 0.17 -1.80 -0.05 0.00 -2.23 0.00 0.00 60.65 56.74 1pwo s ILE 112 Cb -0.15 -3.45 0.25 0.00 -1.58 0.00 0.00 42.46 37.53 1pwo s ILE 112 CO 0.08 -0.65 1.67 -0.33 -1.23 0.00 0.00 174.94 174.49 1pwo h GLU 113 N 8.24 0.22 0.00 2.79 4.39 -2.00 0.19 114.58 128.40 1pwo h GLU 113 Ca -0.18 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1pwo h GLU 113 Cb 1.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1pwo h GLU 113 CO 0.75 0.14 0.11 0.00 -1.16 0.00 0.00 179.01 178.85 1pwo h ALA 114 N 1.64 1.08 -0.00 3.43 0.00 -2.04 -0.99 119.26 122.38 1pwo h ALA 114 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1pwo h ALA 114 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pwo h ALA 114 CO -0.55 -0.08 0.00 0.09 0.00 0.00 0.00 179.25 178.71 1pwo n ASN 115 N -2.38 0.03 -4.69 0.00 3.02 0.65 -4.73 115.26 107.16 1pwo n ASN 115 Ca -0.02 -1.11 -0.41 0.00 -0.03 0.00 0.00 54.58 53.01 1pwo n ASN 115 Cb 0.14 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1pwo n ASN 115 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1pwo s ASN 116 N -1.90 7.12 -0.92 6.41 0.01 -0.38 -1.36 114.94 123.92 1pwo s ASN 116 Ca 0.43 1.37 -0.05 0.00 -0.71 0.00 0.00 52.86 53.90 1pwo s ASN 116 Cb 0.20 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 39.37 1pwo s ASN 116 CO 0.33 -0.34 0.80 1.57 -1.51 0.00 0.00 177.10 177.95 1pwo n HIS 117 N 4.67 -1.89 -1.04 2.20 -0.00 0.02 -4.98 115.22 114.20 1pwo n HIS 117 Ca 0.05 0.70 -0.31 0.00 0.46 0.00 0.00 57.72 58.61 1pwo n HIS 117 Cb 0.50 -3.93 0.12 0.00 -0.12 0.00 0.00 29.99 26.56 1pwo n HIS 117 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1pwo s ILE 118 N -3.23 2.67 0.00 3.57 -0.00 -1.25 -4.84 121.20 118.12 1pwo s ILE 118 Ca 0.30 0.23 0.00 0.00 -0.00 0.00 0.00 60.65 61.18 1pwo s ILE 118 Cb -0.13 -2.51 0.00 0.00 -0.00 0.00 0.00 42.46 39.82 1pwo s ILE 118 CO 0.51 -0.27 0.54 -0.67 -0.00 0.00 0.00 174.94 175.05 1pwo n ASP 119 N -3.73 0.00 0.00 4.36 4.64 -1.26 -4.76 116.55 115.80 1pwo n ASP 119 Ca 0.11 -1.52 0.00 0.00 -1.38 0.00 0.00 54.79 52.00 1pwo n ASP 119 Cb 0.52 -0.05 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 1pwo n ASP 119 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1pwo n PRO 120 N 3.16 0.00 -0.09 -0.67 -0.02 -1.26 -3.96 135.00 132.16 1pwo n PRO 120 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1pwo n PRO 120 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 1pwo n PRO 120 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pwo n ASN 121 N 0.00 1.89 -0.95 2.55 5.03 -1.26 -4.20 115.26 118.32 1pwo n ASN 121 Ca 0.00 0.45 0.00 0.00 0.87 0.00 0.00 54.58 55.90 1pwo n ASN 121 Cb 0.00 -0.81 0.00 0.00 -1.02 0.00 0.00 39.78 37.95 1pwo n ASN 121 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1pwo n ARG 122 N -4.50 0.49 -2.53 3.52 1.85 -1.25 -2.54 116.66 111.70 1pwo n ARG 122 Ca -0.16 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.50 1pwo n ARG 122 Cb 0.47 -1.25 0.02 0.00 -1.05 0.00 0.00 32.46 30.64 1pwo n ARG 122 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62