#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 0.67 -0.77 -4.53 5.85 -1.06 -0.37 115.31 115.10 1pwo h LEU 2 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1pwo h LEU 2 Cb 0.00 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1pwo h LEU 2 CO 0.00 0.15 0.36 1.88 -0.34 0.00 0.00 178.44 180.50 1pwo h TYR 3 N 0.60 1.13 -0.17 1.25 0.99 -1.97 -2.19 116.97 116.60 1pwo h TYR 3 Ca 0.62 -0.06 -0.18 0.00 2.00 0.00 0.00 58.73 61.11 1pwo h TYR 3 Cb 1.17 -0.35 -0.00 0.00 1.00 0.00 0.00 36.73 38.55 1pwo h TYR 3 CO -0.00 0.83 -0.62 1.96 -0.00 0.00 0.00 178.16 180.32 1pwo h GLN 4 N 1.10 0.60 -0.51 4.88 4.20 -1.51 -2.44 115.11 121.42 1pwo h GLN 4 Ca 0.27 -0.42 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1pwo h GLN 4 Cb 0.13 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1pwo h GLN 4 CO -0.03 1.03 0.33 0.35 -0.67 0.00 0.00 178.83 179.85 1pwo h PHE 5 N 0.45 0.63 -0.60 2.96 3.57 -1.12 0.61 116.94 123.44 1pwo h PHE 5 Ca -0.01 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1pwo h PHE 5 Cb 1.19 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1pwo h PHE 5 CO 0.05 0.39 0.27 -0.09 -2.23 0.00 0.00 178.31 176.70 1pwo h ARG 6 N 0.68 0.48 -0.71 1.11 2.43 -1.25 -1.12 114.38 115.99 1pwo h ARG 6 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1pwo h ARG 6 Cb -0.06 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1pwo h ARG 6 CO -0.05 0.31 0.46 0.87 -1.51 0.00 0.00 179.97 180.05 1pwo h LYS 7 N 0.49 0.95 0.11 0.20 1.79 -0.82 0.39 116.57 119.68 1pwo h LYS 7 Ca 0.29 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1pwo h LYS 7 Cb 0.29 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1pwo h LYS 7 CO -0.24 0.64 -0.06 0.52 -1.08 0.00 0.00 179.45 179.23 1pwo h MET 8 N 0.97 -0.15 -1.00 3.15 2.86 0.19 0.19 114.93 121.14 1pwo h MET 8 Ca 0.26 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 58.00 1pwo h MET 8 Cb -0.09 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.53 1pwo h MET 8 CO -0.05 -0.10 0.63 0.82 1.06 0.00 0.00 176.91 179.27 1pwo h ILE 9 N -0.15 1.01 0.00 -1.22 1.08 -0.96 0.29 117.51 117.56 1pwo h ILE 9 Ca -0.01 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1pwo h ILE 9 Cb 0.12 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.70 1pwo h ILE 9 CO 0.02 0.20 0.00 0.50 -0.69 0.00 0.00 178.15 178.18 1pwo h LYS 10 N 1.09 0.00 0.12 2.37 3.64 -0.09 0.13 116.57 123.82 1pwo h LYS 10 Ca 0.46 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.54 1pwo h LYS 10 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1pwo h LYS 10 CO -0.21 0.00 -1.55 0.00 -2.27 0.00 0.00 179.45 175.41 1pwo h THR 12 N -0.24 1.30 -2.17 0.00 2.02 -0.72 -3.41 112.91 109.69 1pwo h THR 12 Ca -0.34 -3.06 -0.58 0.00 0.77 0.00 0.00 66.41 63.21 1pwo h THR 12 Cb 1.81 2.67 -0.39 0.00 -1.74 0.00 0.00 68.15 70.50 1pwo h THR 12 CO 0.05 0.77 -0.99 -0.38 0.37 0.00 0.00 175.52 175.34 1pwo n ILE 13 N -3.25 -0.40 -0.32 3.11 -0.00 0.43 -4.75 119.36 114.18 1pwo n ILE 13 Ca -0.09 -4.02 0.05 0.00 -0.00 0.00 0.00 62.75 58.69 1pwo n ILE 13 Cb 1.00 -1.90 0.24 0.00 -0.00 0.00 0.00 39.64 38.98 1pwo n ILE 13 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 1pwo h PRO 14 N 4.53 0.99 -0.45 0.38 0.11 -1.74 -2.79 132.00 133.03 1pwo h PRO 14 Ca 0.14 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1pwo h PRO 14 Cb 0.86 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1pwo h PRO 14 CO 0.49 0.65 0.00 0.41 -0.21 0.00 0.00 178.00 179.34 1pwo n GLY 15 N -1.39 0.57 3.31 -0.55 0.00 -1.26 -4.77 105.19 101.10 1pwo n GLY 15 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.19 1.27 -0.29 1.61 1.81 -1.05 -5.11 118.95 115.99 1pwo s ARG 16 Ca 0.00 -1.63 -0.05 0.00 -1.72 0.00 0.00 55.73 52.33 1pwo s ARG 16 Cb 0.00 -0.59 0.02 0.00 -0.45 0.00 0.00 34.95 33.93 1pwo s ARG 16 CO 0.00 -0.07 0.05 -2.00 -0.68 0.00 0.00 175.30 172.60 1pwo s GLU 17 N -3.85 2.91 0.17 3.54 2.56 -1.26 -4.94 118.70 117.83 1pwo s GLU 17 Ca 0.26 -0.97 -0.18 0.00 0.00 0.00 0.00 54.97 54.08 1pwo s GLU 17 Cb 0.05 -3.29 0.10 0.00 2.00 0.00 0.00 34.13 32.99 1pwo s GLU 17 CO 0.07 -0.49 1.65 -1.35 -0.56 0.00 0.00 175.26 174.58 1pwo h PRO 18 N 8.17 -0.07 0.47 4.30 0.11 -1.92 0.63 132.00 143.69 1pwo h PRO 18 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1pwo h PRO 18 Cb 1.11 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1pwo h PRO 18 CO 0.59 -0.05 -0.48 1.25 -0.21 0.00 0.00 178.00 179.11 1pwo h LEU 19 N -0.07 -1.31 -1.38 2.35 6.46 -1.95 0.25 115.31 119.67 1pwo h LEU 19 Ca 0.20 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 1pwo h LEU 19 Cb 0.37 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1pwo h LEU 19 CO -0.45 -0.64 -0.27 -0.07 -0.62 0.00 0.00 178.44 176.40 1pwo h LEU 20 N -0.95 0.00 0.00 2.25 3.38 -1.98 -3.10 115.31 114.91 1pwo h LEU 20 Ca -0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.63 1pwo h LEU 20 Cb 0.84 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1pwo h LEU 20 CO -0.07 0.27 -1.67 0.00 0.09 0.00 0.00 178.44 177.05 1pwo h ALA 21 N 1.73 0.75 0.00 1.53 0.00 -0.60 -3.43 119.26 119.24 1pwo h ALA 21 Ca -0.00 -1.44 0.00 0.00 0.00 0.00 0.00 54.91 53.47 1pwo h ALA 21 Cb 0.62 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pwo h ALA 21 CO 0.03 1.57 -0.08 1.19 0.00 0.00 0.00 179.25 181.96 1pwo n PHE 22 N -3.07 0.00 -0.01 0.00 3.72 0.87 -4.67 117.46 114.31 1pwo n PHE 22 Ca -0.16 -0.70 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 1pwo n PHE 22 Cb 1.05 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 1pwo n PHE 22 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1pwo n THR 23 N -0.97 0.71 -2.30 4.37 5.66 -1.17 -3.24 114.28 117.35 1pwo n THR 23 Ca 0.10 -0.85 0.01 0.00 -3.05 0.00 0.00 64.05 60.25 1pwo n THR 23 Cb 0.57 0.64 -0.01 0.00 -1.55 0.00 0.00 70.33 69.99 1pwo n THR 23 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1pwo n ASP 24 N -0.36 0.33 -4.71 1.09 2.03 -1.06 -3.76 116.55 110.12 1pwo n ASP 24 Ca 0.00 -1.96 -0.35 0.00 0.52 0.00 0.00 54.79 53.00 1pwo n ASP 24 Cb 0.18 -0.12 -0.09 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.00 3.23 0.00 -0.67 6.14 -1.04 0.46 117.35 125.47 1pwo s TYR 25 Ca 0.20 0.23 0.00 0.00 0.64 0.00 0.00 57.07 58.14 1pwo s TYR 25 Cb 0.23 -1.84 0.00 0.00 0.42 0.00 0.00 41.96 40.78 1pwo s TYR 25 CO -0.10 0.48 0.00 0.41 0.64 0.00 0.00 175.55 176.98 1pwo n GLY 26 N 2.24 3.48 0.00 8.97 0.00 0.49 -2.49 105.19 117.88 1pwo n GLY 26 Ca -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.11 0.00 -2.44 0.00 4.02 -1.25 -2.66 117.16 114.72 1pwo n TYR 28 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1pwo n TYR 28 Cb 0.31 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.61 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 5.04 -3.42 1.00 0.00 0.00 -1.20 -2.50 105.19 104.11 1pwo n GLY 30 Ca 0.14 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1pwo n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pwo n LYS 31 N -1.81 0.00 0.00 1.61 5.02 -1.25 -4.65 118.16 117.08 1pwo n LYS 31 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pwo n LYS 31 Cb 0.18 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1pwo n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pwo n GLY 32 N -1.27 2.45 0.00 0.72 0.00 -1.26 -4.46 105.19 101.36 1pwo n GLY 32 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 4.26 0.00 -0.02 0.00 -1.09 -4.91 105.19 103.43 1pwo n GLY 33 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1pwo n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pwo n SER 34 N 0.00 0.00 -2.12 1.61 2.88 -1.23 -4.97 113.62 109.79 1pwo n SER 34 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pwo n SER 34 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pwo n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pwo n GLY 35 N 0.00 -3.66 1.82 0.46 0.00 -1.26 -4.40 105.19 98.14 1pwo n GLY 35 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1pwo n GLY 35 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pwo n THR 36 N 0.41 0.00 -1.72 2.61 5.66 -1.26 -4.40 114.28 115.58 1pwo n THR 36 Ca -0.02 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.57 1pwo n THR 36 Cb 0.03 -1.18 0.01 0.00 -1.55 0.00 0.00 70.33 67.64 1pwo n THR 36 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1pwo n PRO 37 N 1.84 2.11 0.23 1.09 -0.02 -1.26 -4.86 135.00 134.13 1pwo n PRO 37 Ca 0.00 0.75 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 1pwo n PRO 37 Cb 0.00 -2.47 0.50 0.00 -0.02 0.00 0.00 33.50 31.51 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 2.28 0.00 -1.88 -1.45 -1.51 -1.92 -3.48 116.25 108.29 1pwo h VAL 38 Ca -0.49 -0.60 0.08 0.00 -1.23 0.00 0.00 66.70 64.47 1pwo h VAL 38 Cb 1.28 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 31.99 1pwo h VAL 38 CO 0.61 0.00 0.28 -0.90 -1.23 0.00 0.00 177.57 176.32 1pwo n ASP 39 N -2.90 -0.67 -0.02 4.19 5.68 -1.26 -5.02 116.55 116.55 1pwo n ASP 39 Ca 0.02 -1.31 -0.12 0.00 -0.50 0.00 0.00 54.79 52.88 1pwo n ASP 39 Cb 0.37 1.07 -0.06 0.00 -1.14 0.00 0.00 41.12 41.36 1pwo n ASP 39 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1pwo h GLU 40 N 0.00 -0.45 -0.68 0.11 5.08 -1.92 -1.64 114.58 115.08 1pwo h GLU 40 Ca -0.11 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1pwo h GLU 40 Cb 0.49 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1pwo h GLU 40 CO 0.15 -0.30 0.22 1.25 -1.00 0.00 0.00 179.01 179.32 1pwo h LEU 41 N -0.47 0.14 -0.64 1.33 5.85 -1.91 -1.15 115.31 118.47 1pwo h LEU 41 Ca 0.08 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1pwo h LEU 41 Cb 0.62 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1pwo h LEU 41 CO -0.42 0.06 0.33 -0.78 -0.34 0.00 0.00 178.44 177.29 1pwo h ASP 42 N 0.35 0.46 0.83 1.25 -0.00 -1.68 -1.05 116.42 116.58 1pwo h ASP 42 Ca 0.37 0.04 -0.04 0.00 -0.00 0.00 0.00 57.03 57.39 1pwo h ASP 42 Cb 0.55 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.83 1pwo h ASP 42 CO -0.41 0.29 -0.21 0.03 -0.00 0.00 0.00 179.24 178.95 1pwo h ARG 43 N 0.60 0.00 0.04 0.28 3.08 -0.68 -2.53 114.38 115.17 1pwo h ARG 43 Ca 0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 1pwo h ARG 43 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1pwo h ARG 43 CO -0.21 0.21 -0.02 0.00 -1.07 0.00 0.00 179.97 178.88 1pwo n GLN 46 N -0.92 0.70 -0.19 0.00 7.27 -0.54 -3.97 117.38 119.73 1pwo n GLN 46 Ca 0.15 0.20 -0.04 0.00 0.07 0.00 0.00 57.00 57.39 1pwo n GLN 46 Cb 0.07 -1.60 0.15 0.00 2.41 0.00 0.00 30.24 31.26 1pwo n GLN 46 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1pwo h THR 47 N 0.02 1.24 -2.82 1.69 2.02 -0.36 -2.34 112.91 112.36 1pwo h THR 47 Ca -0.51 -0.80 -0.71 0.00 0.77 0.00 0.00 66.41 65.15 1pwo h THR 47 Cb 1.95 0.52 -0.20 0.00 -1.74 0.00 0.00 68.15 68.69 1pwo h THR 47 CO -0.01 0.31 0.57 -2.28 0.37 0.00 0.00 175.52 174.48 1pwo s HIS 48 N -5.35 3.25 0.00 3.16 5.65 -0.05 -1.11 115.29 120.84 1pwo s HIS 48 Ca -0.11 -1.47 0.00 0.00 0.25 0.00 0.00 55.06 53.73 1pwo s HIS 48 Cb 0.16 -4.14 0.00 0.00 -1.18 0.00 0.00 32.58 27.42 1pwo s HIS 48 CO 0.81 -1.35 0.00 -3.47 -0.65 0.00 0.00 174.74 170.08 1pwo n ASP 49 N 5.92 0.00 -0.04 9.88 2.03 -1.18 -4.60 116.55 128.56 1pwo n ASP 49 Ca 0.17 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.34 1pwo n ASP 49 Cb 0.48 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.76 1pwo n ASP 49 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1pwo h ASN 50 N 0.00 0.10 -0.62 1.67 -0.26 -1.21 -2.85 115.58 112.40 1pwo h ASN 50 Ca 0.00 -0.79 0.08 0.00 -0.56 0.00 0.00 56.30 55.03 1pwo h ASN 50 Cb 0.00 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.19 1pwo h ASN 50 CO 0.00 0.87 0.41 0.00 -1.06 0.00 0.00 177.43 177.65 1pwo h TYR 52 N 0.55 0.00 0.04 0.00 -1.99 -1.81 -2.30 116.97 111.46 1pwo h TYR 52 Ca 0.28 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 1pwo h TYR 52 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1pwo h TYR 52 CO -0.00 0.19 -0.02 -0.44 -0.00 0.00 0.00 178.16 177.89 1pwo h ASP 53 N 0.00 -0.05 -0.47 3.88 3.45 -0.48 -3.08 116.42 119.67 1pwo h ASP 53 Ca -0.00 -0.62 0.10 0.00 0.43 0.00 0.00 57.03 56.93 1pwo h ASP 53 Cb 0.91 0.01 -0.10 0.00 -0.56 0.00 0.00 39.33 39.59 1pwo h ASP 53 CO 0.03 0.67 -0.21 0.11 -1.57 0.00 0.00 179.24 178.27 1pwo h LYS 54 N -0.84 -0.10 -1.00 3.56 1.57 -1.17 0.93 116.57 119.53 1pwo h LYS 54 Ca -0.01 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 1pwo h LYS 54 Cb 0.67 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.90 1pwo h LYS 54 CO 0.01 -0.07 0.61 0.00 -0.57 0.00 0.00 179.45 179.44 1pwo h ALA 55 N 1.23 1.78 0.00 3.86 0.00 -1.49 0.46 119.26 125.09 1pwo h ALA 55 Ca 0.22 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1pwo h ALA 55 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1pwo h ALA 55 CO -0.54 -0.14 -0.30 0.93 0.00 0.00 0.00 179.25 179.20 1pwo h GLU 56 N 0.70 0.00 -0.02 0.00 5.08 -0.75 -2.68 114.58 116.91 1pwo h GLU 56 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1pwo h GLU 56 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1pwo h GLU 56 CO -0.35 0.30 -0.28 1.63 -1.00 0.00 0.00 179.01 179.31 1pwo n LYS 57 N -3.45 1.34 -2.11 2.33 5.02 0.13 -4.89 118.16 116.52 1pwo n LYS 57 Ca 0.00 -0.99 -0.42 0.00 -2.02 0.00 0.00 58.31 54.87 1pwo n LYS 57 Cb 0.47 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1pwo n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pwo s LEU 58 N -2.35 4.30 0.30 -0.35 1.43 0.78 -4.86 118.68 117.93 1pwo s LEU 58 Ca 0.24 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 1pwo s LEU 58 Cb 0.19 -3.54 0.80 0.00 0.03 0.00 0.00 46.19 43.67 1pwo s LEU 58 CO 0.48 -0.86 1.68 -0.65 0.23 0.00 0.00 176.35 177.23 1pwo h PRO 59 N 8.96 0.34 0.00 1.29 0.11 -1.90 0.16 132.00 140.96 1pwo h PRO 59 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1pwo h PRO 59 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1pwo h PRO 59 CO 0.95 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 179.35 1pwo n GLU 60 N -5.08 0.32 -3.70 1.05 4.71 -1.26 -4.18 120.64 112.50 1pwo n GLU 60 Ca 0.24 0.01 -0.37 0.00 -0.01 0.00 0.00 57.16 57.02 1pwo n GLU 60 Cb 0.73 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.57 1pwo n GLU 60 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pwo s LYS 62 N 0.03 1.07 0.00 0.00 1.02 -1.26 -4.84 119.74 115.76 1pwo s LYS 62 Ca 0.16 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1pwo s LYS 62 Cb -0.20 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 1pwo s LYS 62 CO -0.04 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 1pwo n GLY 63 N 1.83 0.05 3.76 -3.33 0.00 -1.26 -4.74 105.19 101.50 1pwo n GLY 63 Ca -0.18 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 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 0.22 2.71 -2.06 -0.61 5.41 -1.26 -2.67 119.36 121.10 1pwo n ILE 64 Ca 0.00 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 1pwo n ILE 64 Cb 0.00 -1.82 -0.02 0.00 -0.71 0.00 0.00 39.64 37.09 1pwo n ILE 64 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1pwo n LEU 65 N -0.09 -1.50 -0.00 1.39 4.77 -1.26 -4.88 117.00 115.42 1pwo n LEU 65 Ca 0.05 0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1pwo n LEU 65 Cb 0.41 -2.17 -0.09 0.00 -2.33 0.00 0.00 43.42 39.24 1pwo n LEU 65 CO 0.60 -0.30 -0.12 -1.54 -1.33 0.00 0.00 177.39 174.70 1pwo n SER 66 N -0.64 0.81 -4.76 -1.43 3.41 -1.09 -4.02 113.62 105.91 1pwo n SER 66 Ca -0.16 -0.77 -0.37 0.00 -0.26 0.00 0.00 58.87 57.31 1pwo n SER 66 Cb 0.59 1.09 0.02 0.00 -0.26 0.00 0.00 64.21 65.65 1pwo n SER 66 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pwo s GLY 67 N -2.65 2.78 0.27 5.00 0.00 -1.26 -4.69 107.32 106.77 1pwo s GLY 67 Ca 0.05 1.05 0.01 0.00 0.00 0.00 0.00 44.72 45.83 1pwo s GLY 67 CO 0.65 1.49 1.76 -2.55 0.00 0.00 0.00 173.10 174.45 1pwo h PRO 68 N 1.41 0.61 -0.35 2.90 0.11 -1.91 0.52 132.00 135.29 1pwo h PRO 68 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1pwo h PRO 68 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1pwo h PRO 68 CO 0.57 0.40 0.04 1.88 -0.21 0.00 0.00 178.00 180.69 1pwo h TYR 69 N 0.63 0.63 0.00 0.65 0.05 -1.94 -3.33 116.97 113.65 1pwo h TYR 69 Ca 0.50 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1pwo h TYR 69 Cb 0.75 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1pwo h TYR 69 CO -0.08 0.66 -0.99 1.33 -1.05 0.00 0.00 178.16 178.03 1pwo n VAL 70 N -4.56 0.00 -2.46 -2.88 0.24 -1.01 -0.64 118.33 107.02 1pwo n VAL 70 Ca -0.02 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 1pwo n VAL 70 Cb 0.24 0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 33.57 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 -3.00 6.91 -0.42 -1.34 3.84 0.18 -4.75 114.94 116.37 1pwo s ASN 71 Ca 0.08 1.54 -0.21 0.00 0.21 0.00 0.00 52.86 54.48 1pwo s ASN 71 Cb 0.16 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.34 1pwo s ASN 71 CO 0.87 -0.82 0.67 -0.89 -2.79 0.00 0.00 177.10 174.14 1pwo s THR 72 N 3.64 4.80 0.25 -5.21 2.01 -1.26 0.11 115.64 119.99 1pwo s THR 72 Ca 0.53 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.88 1pwo s THR 72 Cb -0.20 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.16 1pwo s THR 72 CO 0.15 -0.54 0.35 0.00 -0.69 0.00 0.00 174.62 173.89 1pwo n TYR 73 N 6.30 -2.89 -4.71 4.92 0.18 -1.26 -4.93 117.16 114.78 1pwo n TYR 73 Ca -0.01 -0.80 -0.33 0.00 1.88 0.00 0.00 57.90 58.64 1pwo n TYR 73 Cb 0.48 -0.25 -0.15 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 -2.51 3.63 0.25 9.48 0.15 -1.26 -4.94 113.70 118.50 1pwo s SER 74 Ca 0.25 -0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.34 1pwo s SER 74 Cb -0.02 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.74 1pwo s SER 74 CO 0.16 0.12 0.44 -0.72 1.20 0.00 0.00 173.24 174.44 1pwo s TYR 75 N 0.62 0.51 -0.02 3.44 -0.85 -1.26 -1.07 117.35 118.71 1pwo s TYR 75 Ca -0.09 -0.85 -0.02 0.00 -0.52 0.00 0.00 57.07 55.59 1pwo s TYR 75 Cb -0.16 0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.28 1pwo s TYR 75 CO 0.03 -0.97 0.06 0.34 -1.52 0.00 0.00 175.55 173.49 1pwo s ASP 76 N -3.05 -0.05 -0.41 -0.18 -1.08 -0.24 -4.90 116.67 106.75 1pwo s ASP 76 Ca 0.25 0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.44 1pwo s ASP 76 Cb 0.00 0.11 0.11 0.00 -1.46 0.00 0.00 42.92 41.68 1pwo s ASP 76 CO 0.10 -0.04 0.14 0.00 0.52 0.00 0.00 175.17 175.90 1pwo s THR 78 N 0.50 2.20 -1.60 0.00 2.01 -0.91 -4.75 115.64 113.10 1pwo s THR 78 Ca 0.13 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 1pwo s THR 78 Cb -0.22 -1.85 0.16 0.00 0.01 0.00 0.00 72.50 70.60 1pwo s THR 78 CO -0.05 0.55 0.68 0.47 -0.69 0.00 0.00 174.62 175.58 1pwo n ASP 79 N 3.58 -3.02 0.00 3.53 8.00 -1.26 -0.48 116.55 126.91 1pwo n ASP 79 Ca -0.19 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1pwo n ASP 79 Cb 0.53 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 1pwo n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pwo n GLY 80 N -1.25 0.53 3.19 0.44 0.00 -1.26 -5.04 105.19 101.80 1pwo n GLY 80 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 2.71 -0.02 1.61 1.02 0.37 -4.72 119.74 120.69 1pwo s LYS 81 Ca 0.00 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 1pwo s LYS 81 Cb 0.00 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 1pwo s LYS 81 CO 0.00 0.18 0.43 -0.51 -0.92 0.00 0.00 175.35 174.53 1pwo s LEU 82 N 0.31 4.43 -0.03 3.17 1.43 -1.26 -2.13 118.68 124.60 1pwo s LEU 82 Ca -0.16 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1pwo s LEU 82 Cb -0.17 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.46 1pwo s LEU 82 CO 0.07 0.25 0.01 -0.89 0.23 0.00 0.00 176.35 176.02 1pwo s THR 83 N -0.70 0.16 -0.24 5.49 2.01 -0.71 -5.01 115.64 116.63 1pwo s THR 83 Ca 0.24 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 1pwo s THR 83 Cb -0.16 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1pwo s THR 83 CO 0.13 0.15 0.47 0.00 -0.69 0.00 0.00 174.62 174.68 1pwo h ASN 85 N 7.83 0.00 -2.44 0.00 2.35 -1.45 -3.47 115.58 118.39 1pwo h ASN 85 Ca -0.31 -0.12 -0.54 0.00 -0.55 0.00 0.00 56.30 54.77 1pwo h ASN 85 Cb 1.15 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.56 1pwo h ASN 85 CO 0.71 0.06 1.12 0.47 -1.65 0.00 0.00 177.43 178.14 1pwo n ASP 86 N -2.38 4.00 0.00 5.81 8.00 -1.24 -4.86 116.55 125.88 1pwo n ASP 86 Ca 0.02 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1pwo n ASP 86 Cb 0.49 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1pwo n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwo n GLN 87 N 5.86 0.00 0.00 -1.24 6.02 -1.26 -4.75 117.38 122.01 1pwo n GLN 87 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1pwo n GLN 87 Cb 0.37 -0.10 0.00 0.00 1.02 0.00 0.00 30.24 31.53 1pwo n GLN 87 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pwo n LYS 88 N -2.48 0.00 -2.16 -1.09 4.01 -1.26 -3.72 118.16 111.46 1pwo n LYS 88 Ca 0.00 0.91 -0.34 0.00 -0.51 0.00 0.00 58.31 58.37 1pwo n LYS 88 Cb 0.00 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.01 1pwo n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1pwo s ASP 89 N -2.86 5.47 0.00 4.39 3.68 -1.26 -4.82 116.67 121.26 1pwo s ASP 89 Ca 0.00 -0.43 0.16 0.00 2.13 0.00 0.00 52.55 54.42 1pwo s ASP 89 Cb 0.00 -2.55 0.80 0.00 -1.45 0.00 0.00 42.92 39.72 1pwo s ASP 89 CO 0.00 -2.37 1.49 0.29 0.13 0.00 0.00 175.17 174.71 1pwo n LYS 90 N 9.02 0.19 -0.07 4.34 5.02 -1.24 -2.56 118.16 132.85 1pwo n LYS 90 Ca 0.29 0.15 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 1pwo n LYS 90 Cb 0.49 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.00 0.50 -0.54 0.00 1.57 -1.88 -1.58 116.57 113.65 1pwo h LYS 92 Ca -0.03 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1pwo h LYS 92 Cb 0.64 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 1pwo h LYS 92 CO -0.02 0.33 0.12 1.25 -0.57 0.00 0.00 179.45 180.56 1pwo h LEU 93 N 0.52 0.02 -0.87 2.94 5.85 -1.61 0.16 115.31 122.31 1pwo h LEU 93 Ca 0.32 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.11 1pwo h LEU 93 Cb 0.36 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1pwo h LEU 93 CO -0.28 0.03 0.44 0.15 -0.34 0.00 0.00 178.44 178.45 1pwo h PHE 94 N 0.26 1.23 -0.31 1.25 3.57 -1.13 -0.28 116.94 121.53 1pwo h PHE 94 Ca 0.27 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1pwo h PHE 94 Cb 0.37 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1pwo h PHE 94 CO -0.23 0.87 0.03 0.82 -2.23 0.00 0.00 178.31 177.57 1pwo h ILE 95 N 1.24 1.25 -0.78 1.41 5.03 -0.51 -2.43 117.51 122.71 1pwo h ILE 95 Ca 0.30 -0.87 -0.01 0.00 -0.12 0.00 0.00 64.86 64.16 1pwo h ILE 95 Cb 0.08 1.21 -0.04 0.00 -3.03 0.00 0.00 36.82 35.05 1pwo h ILE 95 CO -0.04 0.29 0.43 0.00 -0.68 0.00 0.00 178.15 178.15 1pwo h ASN 97 N 1.08 0.00 -0.00 0.00 2.35 -0.79 0.54 115.58 118.76 1pwo h ASN 97 Ca 0.28 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1pwo h ASN 97 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1pwo h ASN 97 CO -0.05 0.24 -0.00 0.00 -1.65 0.00 0.00 177.43 175.98 1pwo h ASP 99 N -0.55 0.59 0.16 0.00 3.32 -1.15 -1.00 116.42 117.78 1pwo h ASP 99 Ca 0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1pwo h ASP 99 Cb 0.55 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1pwo h ASP 99 CO 0.00 0.45 -0.08 -0.09 -1.72 0.00 0.00 179.24 177.81 1pwo h ARG 100 N 0.67 -0.21 -0.73 3.56 2.43 -0.96 0.15 114.38 119.29 1pwo h ARG 100 Ca 0.18 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.45 1pwo h ARG 100 Cb -0.04 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 1pwo h ARG 100 CO -0.04 -0.06 0.39 1.15 -1.51 0.00 0.00 179.97 179.90 1pwo h THR 101 N -0.31 0.88 0.04 0.20 2.02 -1.26 -0.76 112.91 113.73 1pwo h THR 101 Ca -0.02 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1pwo h THR 101 Cb 0.24 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1pwo h THR 101 CO 0.04 0.12 -0.02 0.00 0.37 0.00 0.00 175.52 176.03 1pwo h ALA 102 N 1.42 -0.05 -0.40 6.16 0.00 -0.89 0.78 119.26 126.29 1pwo h ALA 102 Ca 0.35 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1pwo h ALA 102 Cb 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1pwo h ALA 102 CO -0.25 -0.43 0.27 0.00 0.00 0.00 0.00 179.25 178.84 1pwo h ALA 103 N 0.70 1.79 0.03 0.00 0.00 -0.38 0.17 119.26 121.57 1pwo h ALA 103 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1pwo h ALA 103 Cb 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pwo h ALA 103 CO 0.01 0.17 -1.05 0.52 0.00 0.00 0.00 179.25 178.90 1pwo h MET 104 N 0.47 0.52 -0.77 0.00 2.07 -0.92 -2.81 114.93 113.49 1pwo h MET 104 Ca 0.16 -0.60 -0.05 0.00 -2.07 0.00 0.00 59.70 57.14 1pwo h MET 104 Cb 0.05 0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 1pwo h MET 104 CO -0.04 1.22 0.29 0.00 1.07 0.00 0.00 176.91 179.46 1pwo h PHE 106 N 1.13 -1.02 -0.53 0.00 -1.00 -0.67 -2.68 116.94 112.18 1pwo h PHE 106 Ca 0.25 -0.02 0.11 0.00 2.81 0.00 0.00 57.97 61.12 1pwo h PHE 106 Cb 0.25 0.34 -0.10 0.00 3.61 0.00 0.00 35.95 40.04 1pwo h PHE 106 CO 0.02 -0.63 -0.16 0.00 -1.61 0.00 0.00 178.31 175.94 1pwo h ALA 107 N -1.48 0.30 0.00 2.45 0.00 -1.49 -0.12 119.26 118.92 1pwo h ALA 107 Ca -0.11 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pwo h ALA 107 Cb 0.84 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pwo h ALA 107 CO 0.18 -0.47 0.00 1.63 0.00 0.00 0.00 179.25 180.59 1pwo n LYS 108 N -5.39 0.46 -5.03 0.00 5.02 -0.94 -4.80 118.16 107.49 1pwo n LYS 108 Ca 0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 1pwo n LYS 108 Cb 0.29 -1.34 -0.15 0.00 -0.02 0.00 0.00 35.03 33.82 1pwo n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pwo s ALA 109 N -2.00 2.45 -0.02 7.82 0.00 -0.06 -5.05 121.76 124.91 1pwo s ALA 109 Ca 0.15 -1.00 -0.34 0.00 0.00 0.00 0.00 51.96 50.76 1pwo s ALA 109 Cb 0.07 -0.87 -0.13 0.00 0.00 0.00 0.00 23.12 22.19 1pwo s ALA 109 CO 0.12 0.47 1.77 -0.35 0.00 0.00 0.00 175.76 177.76 1pwo n PRO 110 N 2.68 2.09 -3.67 0.00 -0.04 -1.26 -4.91 135.00 129.89 1pwo n PRO 110 Ca -0.17 0.76 -0.37 0.00 -0.04 0.00 0.00 63.50 63.68 1pwo n PRO 110 Cb 0.52 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.30 1pwo n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1pwo s TYR 111 N 2.98 3.19 -0.33 0.54 5.04 -1.26 -4.54 117.35 122.98 1pwo s TYR 111 Ca 0.89 -0.04 -0.09 0.00 -2.44 0.00 0.00 57.07 55.38 1pwo s TYR 111 Cb -0.71 -2.31 0.01 0.00 0.35 0.00 0.00 41.96 39.30 1pwo s TYR 111 CO 0.48 -0.19 0.14 0.42 -1.34 0.00 0.00 175.55 175.07 1pwo s ILE 112 N 1.58 4.31 0.33 3.14 1.09 -1.26 -4.98 121.20 125.41 1pwo s ILE 112 Ca 0.07 -0.73 0.05 0.00 -1.10 0.00 0.00 60.65 58.94 1pwo s ILE 112 Cb -0.15 -3.30 0.30 0.00 -1.06 0.00 0.00 42.46 38.25 1pwo s ILE 112 CO 0.08 -0.06 1.88 -0.33 -0.10 0.00 0.00 174.94 176.41 1pwo h GLU 113 N 8.33 0.81 0.00 2.79 4.39 -2.00 -0.72 114.58 128.18 1pwo h GLU 113 Ca -0.29 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1pwo h GLU 113 Cb 1.12 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1pwo h GLU 113 CO 0.63 0.54 -0.06 0.00 -1.16 0.00 0.00 179.01 178.96 1pwo h ALA 114 N 1.57 1.20 0.00 3.43 0.00 -2.04 -2.38 119.26 121.04 1pwo h ALA 114 Ca 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1pwo h ALA 114 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pwo h ALA 114 CO -0.19 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.22 1pwo n ASN 115 N -3.44 0.00 -4.78 0.00 3.02 -0.28 -4.73 115.26 105.05 1pwo n ASN 115 Ca -0.02 -0.98 -0.39 0.00 -0.03 0.00 0.00 54.58 53.16 1pwo n ASN 115 Cb 0.19 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.70 7.36 -1.33 6.41 0.01 -0.90 -0.38 114.94 124.40 1pwo s ASN 116 Ca 0.19 1.61 -0.09 0.00 -0.71 0.00 0.00 52.86 53.86 1pwo s ASN 116 Cb 0.09 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1pwo s ASN 116 CO 0.14 0.20 0.50 1.57 -1.51 0.00 0.00 177.10 178.00 1pwo n HIS 117 N 1.71 -1.65 -1.10 2.20 -0.00 0.17 -4.93 115.22 111.62 1pwo n HIS 117 Ca -0.06 0.60 -0.29 0.00 0.46 0.00 0.00 57.72 58.43 1pwo n HIS 117 Cb 0.49 -3.50 0.17 0.00 -0.12 0.00 0.00 29.99 27.02 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 -3.83 2.34 0.00 3.57 -4.36 -1.26 -4.97 121.20 112.69 1pwo s ILE 118 Ca 0.17 0.11 0.00 0.00 -0.26 0.00 0.00 60.65 60.67 1pwo s ILE 118 Cb -0.07 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1pwo s ILE 118 CO 0.90 -0.14 0.03 -0.67 0.24 0.00 0.00 174.94 175.29 1pwo n ASP 119 N -4.13 0.00 0.00 4.36 4.64 -1.26 -4.99 116.55 115.16 1pwo n ASP 119 Ca 0.06 0.03 0.00 0.00 -1.38 0.00 0.00 54.79 53.50 1pwo n ASP 119 Cb 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.64 1pwo n ASP 119 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1pwo n PRO 120 N -0.16 0.00 0.00 -0.67 -0.05 -1.26 -5.09 135.00 127.77 1pwo n PRO 120 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1pwo n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1pwo n PRO 120 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1pwo n ASN 121 N 0.00 0.00 0.06 3.54 3.02 -1.26 -4.76 115.26 115.86 1pwo n ASN 121 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1pwo n ASN 121 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1pwo n ASN 121 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pwo n ARG 122 N 0.00 0.01 -3.18 3.52 1.74 -1.26 0.10 116.66 117.60 1pwo n ARG 122 Ca 0.00 0.24 -0.24 0.00 -0.77 0.00 0.00 57.85 57.07 1pwo n ARG 122 Cb 0.00 -2.03 -0.05 0.00 -1.02 0.00 0.00 32.46 29.35 1pwo n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11