#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hil s LEU 3 N 0.00 3.24 0.00 3.22 2.96 -1.26 -4.61 118.68 122.23 2hil s LEU 3 Ca 0.00 -1.19 0.00 0.00 -0.22 0.00 0.00 54.13 52.72 2hil s LEU 3 Cb 0.00 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.12 2hil s LEU 3 CO 0.00 -2.51 0.00 0.00 -1.32 0.00 0.00 176.35 172.52 2hil n ILE 4 N 7.59 0.00 -0.05 6.68 3.06 -1.26 -4.53 119.36 130.85 2hil n ILE 4 Ca 0.41 -0.29 -0.10 0.00 -2.50 0.00 0.00 62.75 60.27 2hil n ILE 4 Cb 0.47 0.80 0.04 0.00 0.54 0.00 0.00 39.64 41.49 2hil n ILE 4 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 2hil h GLU 5 N 0.00 0.73 -0.07 9.51 4.57 -2.00 -0.62 114.58 126.70 2hil h GLU 5 Ca 0.00 -0.39 -0.20 0.00 -1.18 0.00 0.00 59.36 57.59 2hil h GLU 5 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2hil h GLU 5 CO 0.00 1.01 -0.80 1.25 -1.18 0.00 0.00 179.01 179.29 2hil h LEU 6 N 0.59 0.58 -0.17 1.64 5.85 -1.97 -2.79 115.31 119.05 2hil h LEU 6 Ca 0.04 -0.40 -0.22 0.00 0.84 0.00 0.00 57.88 58.14 2hil h LEU 6 Cb 0.97 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.84 2hil h LEU 6 CO 0.09 1.17 -0.81 -0.03 -0.34 0.00 0.00 178.44 178.52 2hil h MET 7 N 0.31 0.74 -0.00 1.25 4.05 -1.77 -2.49 114.93 117.02 2hil h MET 7 Ca -0.05 -0.63 -0.21 0.00 -0.28 0.00 0.00 59.70 58.54 2hil h MET 7 Cb 1.40 0.14 0.02 0.00 -0.80 0.00 0.00 31.60 32.35 2hil h MET 7 CO 0.14 1.23 -0.81 0.82 0.23 0.00 0.00 176.91 178.52 2hil h ILE 8 N 0.50 1.35 0.00 1.77 2.04 -1.22 -2.99 117.51 118.96 2hil h ILE 8 Ca -0.06 -2.15 -0.05 0.00 1.00 0.00 0.00 64.86 63.60 2hil h ILE 8 Cb 1.43 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.99 2hil h ILE 8 CO 0.16 0.65 -0.25 0.58 0.00 0.00 0.00 178.15 179.29 2hil h VAL 9 N 0.14 0.64 0.00 1.67 2.07 -1.58 0.33 116.25 119.52 2hil h VAL 9 Ca -0.10 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 2hil h VAL 9 Cb 1.50 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2hil h VAL 9 CO 0.16 0.24 -0.40 -0.29 0.02 0.00 0.00 177.57 177.30 2hil h ILE 10 N 0.00 0.75 0.00 4.57 6.09 -1.53 -3.11 117.51 124.29 2hil h ILE 10 Ca -0.00 -1.83 0.00 0.00 -1.37 0.00 0.00 64.86 61.66 2hil h ILE 10 Cb 0.73 2.20 0.00 0.00 0.47 0.00 0.00 36.82 40.21 2hil h ILE 10 CO 0.03 0.39 -0.81 0.00 -3.07 0.00 0.00 178.15 174.70 2hil n ALA 11 N -2.23 4.07 -0.00 0.18 0.00 -0.51 -2.83 120.51 119.18 2hil n ALA 11 Ca 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 2hil n ALA 11 Cb 0.63 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 2hil n ALA 11 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2hil h ILE 12 N 0.00 0.93 -0.02 0.00 3.07 -0.46 -3.06 117.51 117.97 2hil h ILE 12 Ca 0.00 -2.73 -0.18 0.00 1.55 0.00 0.00 64.86 63.50 2hil h ILE 12 Cb 0.53 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 39.51 2hil h ILE 12 CO 0.00 0.53 -0.79 0.58 -1.05 0.00 0.00 178.15 177.42 2hil h VAL 13 N 0.00 1.47 -0.27 0.16 2.07 -1.65 0.14 116.25 118.16 2hil h VAL 13 Ca -0.23 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 64.82 2hil h VAL 13 Cb 1.94 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 34.02 2hil h VAL 13 CO 0.08 0.71 0.05 1.23 0.02 0.00 0.00 177.57 179.67 2hil h GLY 14 N 1.79 0.47 2.00 2.17 0.00 -1.65 -1.88 103.07 105.98 2hil h GLY 14 Ca -0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2hil h GLY 14 CO 0.12 0.28 -0.25 0.16 0.00 0.00 0.00 176.54 176.86 2hil h ILE 15 N 0.26 0.48 -0.36 2.60 3.07 -1.55 -2.94 117.51 119.08 2hil h ILE 15 Ca 0.08 -1.41 -0.12 0.00 1.55 0.00 0.00 64.86 64.96 2hil h ILE 15 Cb 0.31 2.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.87 2hil h ILE 15 CO 0.00 0.24 -0.26 0.25 -1.05 0.00 0.00 178.15 177.34 2hil h LEU 16 N 0.00 0.75 -0.82 0.16 5.85 -0.83 -1.79 115.31 118.63 2hil h LEU 16 Ca -0.00 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 2hil h LEU 16 Cb 1.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2hil h LEU 16 CO 0.03 0.97 -0.32 0.00 -0.34 0.00 0.00 178.44 178.79 2hil h ALA 17 N 1.08 0.99 -0.09 1.25 0.00 -1.27 0.36 119.26 121.58 2hil h ALA 17 Ca 0.08 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2hil h ALA 17 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2hil h ALA 17 CO 0.06 0.60 -0.46 0.00 0.00 0.00 0.00 179.25 179.45 2hil h ALA 18 N 1.22 1.06 0.12 0.00 0.00 -1.33 0.56 119.26 120.89 2hil h ALA 18 Ca 0.05 -0.44 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 2hil h ALA 18 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hil h ALA 18 CO 0.06 0.62 -1.23 0.28 0.00 0.00 0.00 179.25 178.98 2hil h VAL 19 N 0.17 1.51 -0.00 0.00 2.07 -1.19 -3.24 116.25 115.58 2hil h VAL 19 Ca 0.01 -3.09 0.00 0.00 0.82 0.00 0.00 66.70 64.44 2hil h VAL 19 Cb 0.88 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 2hil h VAL 19 CO 0.07 0.90 -0.01 0.00 0.02 0.00 0.00 177.57 178.55 2hil n ALA 20 N -2.52 2.53 0.05 1.67 0.00 0.10 -4.14 120.51 118.21 2hil n ALA 20 Ca -0.08 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 2hil n ALA 20 Cb 1.02 -1.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2hil n ALA 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hil h LEU 21 N 0.05 -0.16 -1.11 0.00 7.12 -0.90 -2.83 115.31 117.48 2hil h LEU 21 Ca 0.00 -0.37 -0.07 0.00 0.13 0.00 0.00 57.88 57.56 2hil h LEU 21 Cb 0.27 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 2hil h LEU 21 CO 0.00 0.34 -0.34 1.55 -0.13 0.00 0.00 178.44 179.86 2hil h PRO 22 N -0.71 0.00 -0.21 5.25 0.13 -1.75 -0.74 132.00 133.97 2hil h PRO 22 Ca -0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 2hil h PRO 22 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 2hil h PRO 22 CO 0.03 0.34 -0.16 0.00 -0.23 0.00 0.00 178.00 177.98 2hil h ALA 23 N 1.66 0.30 -0.05 -0.56 0.00 -1.74 0.15 119.26 119.02 2hil h ALA 23 Ca -0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 2hil h ALA 23 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2hil h ALA 23 CO 0.04 0.20 -0.71 -0.92 0.00 0.00 0.00 179.25 177.86 2hil h TYR 24 N 0.16 0.36 0.00 0.00 5.03 -1.47 -1.09 116.97 119.96 2hil h TYR 24 Ca 0.04 -0.16 -0.06 0.00 2.58 0.00 0.00 58.73 61.13 2hil h TYR 24 Cb 0.69 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 2hil h TYR 24 CO 0.07 0.89 -0.28 1.96 -1.32 0.00 0.00 178.16 179.48 2hil h GLN 25 N 0.18 0.00 0.00 1.82 7.50 -1.10 0.20 115.11 123.71 2hil h GLN 25 Ca -0.02 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.88 2hil h GLN 25 Cb 1.27 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.76 2hil h GLN 25 CO 0.11 0.28 -2.26 -0.25 -1.50 0.00 0.00 178.83 175.22 2hil n ASP 26 N -3.50 0.01 -0.35 1.46 10.43 0.53 -3.06 116.55 122.07 2hil n ASP 26 Ca -0.00 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.33 2hil n ASP 26 Cb 0.45 1.32 0.10 0.00 1.84 0.00 0.00 41.12 44.82 2hil n ASP 26 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 2hil h TYR 27 N 0.00 1.23 0.31 1.24 3.20 -1.25 0.21 116.97 121.91 2hil h TYR 27 Ca -0.37 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 2hil h TYR 27 Cb 1.84 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.71 2hil h TYR 27 CO 0.00 0.81 -0.15 1.15 -1.64 0.00 0.00 178.16 178.33 2hil h THR 28 N 1.30 0.72 -0.55 1.81 2.02 -0.73 -1.78 112.91 115.70 2hil h THR 28 Ca 0.34 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2hil h THR 28 Cb -0.07 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2hil h THR 28 CO -0.07 0.07 0.32 0.00 0.37 0.00 0.00 175.52 176.22 2hil h ALA 29 N 0.04 0.70 0.00 6.16 0.00 -1.41 -0.48 119.26 124.27 2hil h ALA 29 Ca -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hil h ALA 29 Cb 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2hil h ALA 29 CO 0.07 0.20 -0.00 -0.09 0.00 0.00 0.00 179.25 179.43 2hil h ARG 30 N 0.74 0.00 0.14 0.00 2.43 -0.56 -0.57 114.38 116.56 2hil h ARG 30 Ca 0.20 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.06 2hil h ARG 30 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2hil h ARG 30 CO -0.04 0.00 -1.53 0.00 -1.51 0.00 0.00 179.97 176.90 2hil h ALA 31 N 2.00 0.20 0.00 2.80 0.00 -0.20 -2.99 119.26 121.07 2hil h ALA 31 Ca -0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 54.91 53.84 2hil h ALA 31 Cb 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2hil h ALA 31 CO 0.00 1.07 -0.01 1.96 0.00 0.00 0.00 179.25 182.27 2hil h GLN 32 N 0.08 0.00 0.08 0.00 4.20 -0.19 -2.98 115.11 116.30 2hil h GLN 32 Ca -0.25 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.15 2hil h GLN 32 Cb 2.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.79 2hil h GLN 32 CO 0.18 0.01 -1.66 0.28 -0.67 0.00 0.00 178.83 176.97 2hil h VAL 33 N 0.00 0.98 0.00 -0.54 2.07 -1.30 -3.26 116.25 114.20 2hil h VAL 33 Ca -0.00 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.82 2hil h VAL 33 Cb 0.69 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2hil h VAL 33 CO 0.00 0.76 0.01 0.28 0.02 0.00 0.00 177.57 178.64 2hil h SER 34 N 0.05 0.00 0.17 0.57 0.02 -1.36 -1.15 113.55 111.85 2hil h SER 34 Ca -0.28 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.31 2hil h SER 34 Cb 2.01 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.51 2hil h SER 34 CO 0.12 0.00 -2.06 -0.62 -1.14 0.00 0.00 176.83 173.14 2hil n GLU 35 N -2.52 0.71 -0.04 3.45 -0.58 -1.23 -2.98 120.64 117.44 2hil n GLU 35 Ca -0.02 0.23 0.13 0.00 -0.42 0.00 0.00 57.16 57.08 2hil n GLU 35 Cb 0.06 -1.68 0.55 0.00 -0.57 0.00 0.00 31.44 29.80 2hil n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hil h ALA 36 N 0.33 2.12 -0.20 0.62 0.00 -1.28 0.31 119.26 121.16 2hil h ALA 36 Ca -0.43 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 2hil h ALA 36 Cb 2.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2hil h ALA 36 CO 0.05 -0.25 -0.56 0.82 0.00 0.00 0.00 179.25 179.31 2hil h ILE 37 N 0.29 1.32 -0.01 0.00 2.04 -1.45 -1.19 117.51 118.50 2hil h ILE 37 Ca 0.25 -1.80 -0.15 0.00 1.00 0.00 0.00 64.86 64.15 2hil h ILE 37 Cb 0.60 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 2hil h ILE 37 CO -0.06 0.56 -0.72 0.25 0.00 0.00 0.00 178.15 178.19 2hil h LEU 38 N 0.46 0.06 -0.41 1.44 7.12 -0.46 -1.44 115.31 122.07 2hil h LEU 38 Ca 0.01 -0.04 -0.15 0.00 0.13 0.00 0.00 57.88 57.82 2hil h LEU 38 Cb 1.12 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 2hil h LEU 38 CO 0.11 0.76 -0.73 0.25 -0.13 0.00 0.00 178.44 178.69 2hil h LEU 39 N 0.03 0.00 -0.14 2.25 6.46 -0.55 -3.15 115.31 120.22 2hil h LEU 39 Ca -0.01 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 2hil h LEU 39 Cb 1.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 2hil h LEU 39 CO 0.10 0.73 -0.37 0.00 -0.62 0.00 0.00 178.44 178.28 2hil h ALA 40 N 1.27 0.24 -1.93 1.25 0.00 -0.99 -3.44 119.26 115.66 2hil h ALA 40 Ca -0.01 -0.44 -0.41 0.00 0.00 0.00 0.00 54.91 54.05 2hil h ALA 40 Cb 1.36 -0.03 0.20 0.00 0.00 0.00 0.00 17.79 19.32 2hil h ALA 40 CO 0.10 0.31 0.15 -1.21 0.00 0.00 0.00 179.25 178.60 2hil s GLU 41 N -3.91 -1.38 0.00 0.00 2.02 -0.56 -3.54 118.70 111.32 2hil s GLU 41 Ca -0.13 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2hil s GLU 41 Cb 0.06 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2hil s GLU 41 CO 0.81 -3.79 0.00 0.41 0.02 0.00 0.00 175.26 172.71 2hil n GLY 42 N -1.26 0.87 0.02 -1.39 0.00 -1.26 -4.53 105.19 97.64 2hil n GLY 42 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2hil n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hil n GLN 43 N -2.00 0.68 0.02 1.61 6.02 -1.23 -4.42 117.38 118.06 2hil n GLN 43 Ca 0.00 -0.93 -0.19 0.00 -0.01 0.00 0.00 57.00 55.86 2hil n GLN 43 Cb 0.00 -1.01 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 2hil n GLN 43 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2hil h LYS 44 N 0.06 0.71 -0.11 -1.09 1.57 -1.80 -2.97 116.57 112.95 2hil h LYS 44 Ca 0.00 -0.71 0.03 0.00 -1.87 0.00 0.00 60.65 58.11 2hil h LYS 44 Cb 0.22 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 2hil h LYS 44 CO 0.00 1.29 -0.49 1.03 -0.57 0.00 0.00 179.45 180.71 2hil h SER 45 N 0.39 -1.54 0.01 0.86 0.87 -1.95 0.86 113.55 113.05 2hil h SER 45 Ca -0.10 0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2hil h SER 45 Cb 1.59 0.61 -0.04 0.00 -0.44 0.00 0.00 62.40 64.11 2hil h SER 45 CO 0.19 -0.47 -0.24 0.00 -0.53 0.00 0.00 176.83 175.78 2hil h ALA 46 N -0.14 -0.32 -0.89 6.23 0.00 -1.83 -0.71 119.26 121.60 2hil h ALA 46 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2hil h ALA 46 Cb 0.67 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2hil h ALA 46 CO -0.41 -0.74 0.58 0.28 0.00 0.00 0.00 179.25 178.96 2hil h VAL 47 N -0.38 1.17 0.16 0.00 2.07 -1.23 0.44 116.25 118.48 2hil h VAL 47 Ca 0.06 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2hil h VAL 47 Cb 0.46 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2hil h VAL 47 CO -0.21 0.21 -0.07 0.74 0.02 0.00 0.00 177.57 178.25 2hil h THR 48 N 1.14 0.93 0.05 2.57 2.02 0.11 -1.81 112.91 117.92 2hil h THR 48 Ca 0.35 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2hil h THR 48 Cb -0.04 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2hil h THR 48 CO -0.10 0.09 -0.12 -0.08 0.37 0.00 0.00 175.52 175.68 2hil h GLU 49 N -0.39 -0.22 -0.68 6.66 4.57 -0.90 -0.39 114.58 123.24 2hil h GLU 49 Ca -0.02 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 2hil h GLU 49 Cb 0.31 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.85 2hil h GLU 49 CO 0.03 -0.14 0.17 -0.92 -1.18 0.00 0.00 179.01 176.97 2hil h TYR 50 N -0.23 0.27 0.17 0.92 5.03 -0.84 0.12 116.97 122.41 2hil h TYR 50 Ca 0.03 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 2hil h TYR 50 Cb 0.25 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.52 2hil h TYR 50 CO -0.15 -0.04 -0.08 -0.92 -1.32 0.00 0.00 178.16 175.64 2hil h TYR 51 N 0.29 -0.22 -0.51 -3.82 3.20 -0.77 -1.64 116.97 113.51 2hil h TYR 51 Ca 0.37 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 2hil h TYR 51 Cb 0.59 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 2hil h TYR 51 CO -0.25 0.01 0.21 -0.07 -1.64 0.00 0.00 178.16 176.42 2hil h LEU 52 N -0.42 0.66 -0.32 2.82 4.07 -0.57 1.84 115.31 123.39 2hil h LEU 52 Ca -0.02 -0.08 -0.19 0.00 0.08 0.00 0.00 57.88 57.67 2hil h LEU 52 Cb 0.33 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2hil h LEU 52 CO 0.04 0.59 -0.84 0.78 -1.08 0.00 0.00 178.44 177.93 2hil h ASN 53 N 0.72 0.27 0.00 -0.43 -0.26 -0.76 -3.38 115.58 111.74 2hil h ASN 53 Ca 0.18 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.70 2hil h ASN 53 Cb 0.14 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2hil h ASN 53 CO -0.02 1.00 -1.28 1.41 -1.06 0.00 0.00 177.43 177.48 2hil n HIS 54 N -3.69 0.00 -1.00 1.19 8.25 -0.62 -5.01 115.22 114.34 2hil n HIS 54 Ca -0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2hil n HIS 54 Cb 0.78 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.75 2hil n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hil n GLY 55 N 2.16 0.49 3.05 -1.41 0.00 0.62 -5.02 105.19 105.08 2hil n GLY 55 Ca -0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2hil n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hil s LYS 56 N -0.19 0.73 0.29 1.61 3.01 -1.25 -5.04 119.74 118.90 2hil s LYS 56 Ca 0.00 -0.44 -0.29 0.00 -1.01 0.00 0.00 55.97 54.23 2hil s LYS 56 Cb 0.00 -0.70 -0.09 0.00 -1.01 0.00 0.00 37.83 36.03 2hil s LYS 56 CO 0.00 0.18 1.05 -1.58 0.51 0.00 0.00 175.35 175.51 2hil s TRP 57 N -0.45 3.63 0.12 3.18 0.52 -1.26 -3.90 118.94 120.78 2hil s TRP 57 Ca 0.02 1.74 -0.31 0.00 0.02 0.00 0.00 56.10 57.57 2hil s TRP 57 Cb -0.05 -3.18 -0.10 0.00 -1.15 0.00 0.00 33.47 28.99 2hil s TRP 57 CO 0.00 -0.31 1.83 -1.25 0.02 0.00 0.00 176.95 177.25 2hil s PRO 58 N -1.56 4.14 0.23 4.98 0.04 -1.26 -4.55 135.00 137.02 2hil s PRO 58 Ca 0.46 2.59 -0.07 0.00 0.04 0.00 0.00 61.00 64.03 2hil s PRO 58 Cb -0.29 -3.62 0.21 0.00 0.04 0.00 0.00 34.50 30.84 2hil s PRO 58 CO 0.36 -0.85 1.81 1.49 0.04 0.00 0.00 177.00 179.86 2hil h GLU 59 N 8.69 1.17 -3.77 4.56 4.81 -1.92 0.72 114.58 128.84 2hil h GLU 59 Ca -0.46 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 58.42 2hil h GLU 59 Cb 1.22 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 2hil h GLU 59 CO 0.95 0.93 -0.09 0.54 -0.73 0.00 0.00 179.01 180.60 2hil s ASN 60 N -6.35 0.40 0.25 1.04 2.20 -1.25 -1.81 114.94 109.42 2hil s ASN 60 Ca -0.12 -1.23 -0.05 0.00 -0.94 0.00 0.00 52.86 50.52 2hil s ASN 60 Cb 0.16 0.67 0.49 0.00 -2.00 0.00 0.00 41.25 40.56 2hil s ASN 60 CO 0.83 -1.30 1.65 0.78 -2.94 0.00 0.00 177.10 176.12 2hil h ASN 61 N 2.15 -0.19 -0.75 3.54 4.21 -1.87 -0.44 115.58 122.23 2hil h ASN 61 Ca -0.28 0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 2hil h ASN 61 Cb 1.25 0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 38.70 2hil h ASN 61 CO 0.38 -0.14 0.43 0.74 -1.29 0.00 0.00 177.43 177.55 2hil h THR 62 N 0.16 1.22 -0.42 2.81 2.02 -1.80 0.51 112.91 117.41 2hil h THR 62 Ca 0.43 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2hil h THR 62 Cb 0.78 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2hil h THR 62 CO -0.62 0.24 0.27 0.28 0.37 0.00 0.00 175.52 176.06 2hil h SER 63 N 1.03 0.48 0.57 4.18 0.02 -1.47 -0.92 113.55 117.43 2hil h SER 63 Ca 0.27 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2hil h SER 63 Cb -0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2hil h SER 63 CO -0.05 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 175.99 2hil n ALA 64 N -2.21 1.58 -1.98 3.77 0.00 -0.54 -4.88 120.51 116.26 2hil n ALA 64 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 2hil n ALA 64 Cb 0.02 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.17 2hil n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hil n GLY 65 N -0.17 0.48 3.18 0.00 0.00 -0.01 -4.60 105.19 104.07 2hil n GLY 65 Ca 0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2hil n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hil s VAL 66 N -3.05 0.13 -0.44 1.61 -7.23 -0.19 -5.01 120.40 106.22 2hil s VAL 66 Ca 0.03 -1.68 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 2hil s VAL 66 Cb -0.00 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 2hil s VAL 66 CO 0.10 -0.61 1.21 0.00 -0.31 0.00 0.00 175.10 175.49 2hil n ALA 67 N -0.06 0.13 0.26 1.32 0.00 -1.26 -3.89 120.51 117.01 2hil n ALA 67 Ca -0.09 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.26 2hil n ALA 67 Cb 0.63 -1.01 0.22 0.00 0.00 0.00 0.00 19.45 19.28 2hil n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hil h SER 68 N 5.35 0.00 -3.55 0.00 4.64 -1.95 -3.36 113.55 114.69 2hil h SER 68 Ca -0.02 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.63 2hil h SER 68 Cb 0.59 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.42 2hil h SER 68 CO 0.62 0.00 -0.66 -0.55 -0.87 0.00 0.00 176.83 175.37 2hil s SER 69 N -3.21 4.83 0.26 4.97 0.15 -1.26 -4.56 113.70 114.88 2hil s SER 69 Ca -0.01 -0.51 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 2hil s SER 69 Cb 0.02 -1.83 0.52 0.00 -1.71 0.00 0.00 66.02 63.02 2hil s SER 69 CO 0.07 -0.10 1.66 -0.65 1.20 0.00 0.00 173.24 175.43 2hil h PRO 70 N 8.18 0.20 0.00 5.44 0.11 -1.81 0.52 132.00 144.65 2hil h PRO 70 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2hil h PRO 70 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2hil h PRO 70 CO 0.59 0.13 0.00 2.41 -0.21 0.00 0.00 178.00 180.93 2hil n THR 71 N -5.22 1.71 1.36 -1.15 -1.04 -1.26 -1.05 114.28 107.62 2hil n THR 71 Ca 0.16 0.44 0.14 0.00 -2.04 0.00 0.00 64.05 62.74 2hil n THR 71 Cb 0.52 -1.37 0.49 0.00 -1.82 0.00 0.00 70.33 68.15 2hil n THR 71 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2hil n ASP 72 N -1.53 0.90 -2.34 8.00 9.92 0.18 -3.80 116.55 127.89 2hil n ASP 72 Ca 0.01 -0.90 -0.28 0.00 -0.53 0.00 0.00 54.79 53.09 2hil n ASP 72 Cb 0.05 0.04 0.02 0.00 -0.64 0.00 0.00 41.12 40.59 2hil n ASP 72 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2hil n ILE 73 N -0.61 2.73 -2.93 0.53 5.41 -0.21 -4.98 119.36 119.29 2hil n ILE 73 Ca 0.14 -4.34 -0.20 0.00 1.00 0.00 0.00 62.75 59.35 2hil n ILE 73 Cb 0.32 -1.20 0.07 0.00 -0.71 0.00 0.00 39.64 38.12 2hil n ILE 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2hil s LYS 74 N -3.66 2.18 0.00 0.38 -2.85 -1.25 -3.30 119.74 111.23 2hil s LYS 74 Ca 0.52 -1.51 0.00 0.00 -1.00 0.00 0.00 55.97 53.97 2hil s LYS 74 Cb 0.42 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 2hil s LYS 74 CO -0.11 -0.98 0.00 0.41 0.10 0.00 0.00 175.35 174.78 2hil n GLY 75 N -2.37 4.44 0.15 0.59 0.00 0.41 -4.93 105.19 103.48 2hil n GLY 75 Ca 0.15 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 2hil n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hil h LYS 76 N 0.00 0.44 -0.00 1.61 1.57 -2.00 -3.32 116.57 114.87 2hil h LYS 76 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2hil h LYS 76 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2hil h LYS 76 CO 0.00 1.00 -0.43 0.66 -0.57 0.00 0.00 179.45 180.11 2hil n TYR 77 N -4.31 0.00 -3.63 -1.35 4.01 -1.26 -4.78 117.16 105.84 2hil n TYR 77 Ca -0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.28 2hil n TYR 77 Cb 0.56 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.48 2hil n TYR 77 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2hil s VAL 78 N -1.87 5.05 -0.74 -0.72 1.01 -1.25 0.33 120.40 122.21 2hil s VAL 78 Ca 0.06 0.08 0.26 0.00 0.00 0.00 0.00 61.98 62.38 2hil s VAL 78 Cb 0.09 -3.40 0.22 0.00 0.00 0.00 0.00 36.38 33.28 2hil s VAL 78 CO 0.40 0.27 1.66 1.17 0.00 0.00 0.00 175.10 178.61 2hil n LYS 79 N 5.02 0.24 -3.53 2.72 4.81 0.13 0.15 118.16 127.71 2hil n LYS 79 Ca -0.15 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2hil n LYS 79 Cb 0.52 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.82 2hil n LYS 79 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2hil n GLU 80 N -2.15 -3.26 -3.46 1.64 0.28 -1.21 -4.62 120.64 107.86 2hil n GLU 80 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.01 2hil n GLU 80 Cb 0.42 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.24 2hil n GLU 80 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2hil s VAL 81 N -2.14 -0.81 -0.04 3.84 1.01 -1.17 -1.66 120.40 119.43 2hil s VAL 81 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2hil s VAL 81 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2hil s VAL 81 CO 0.00 -0.01 -0.17 -0.70 0.00 0.00 0.00 175.10 174.22 2hil s GLU 82 N 2.73 2.38 -0.27 2.72 2.12 -0.57 -4.56 118.70 123.25 2hil s GLU 82 Ca 0.06 -0.77 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 2hil s GLU 82 Cb -0.14 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 2hil s GLU 82 CO -0.17 0.60 0.13 0.08 -0.54 0.00 0.00 175.26 175.37 2hil s VAL 83 N -0.72 4.79 -0.34 3.70 1.01 -1.26 -0.94 120.40 126.63 2hil s VAL 83 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2hil s VAL 83 Cb -0.10 -3.29 0.11 0.00 0.00 0.00 0.00 36.38 33.09 2hil s VAL 83 CO 0.01 0.26 0.11 -0.75 0.00 0.00 0.00 175.10 174.73 2hil s LYS 84 N 1.68 1.01 -1.20 2.72 2.20 0.12 -3.45 119.74 122.81 2hil s LYS 84 Ca 0.06 -1.44 -0.01 0.00 -0.36 0.00 0.00 55.97 54.22 2hil s LYS 84 Cb -0.16 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 33.80 2hil s LYS 84 CO 0.07 -1.01 0.93 0.09 -0.36 0.00 0.00 175.35 175.08 2hil n ASN 85 N 4.46 -2.51 0.00 1.43 3.02 -0.75 -2.41 115.26 118.50 2hil n ASN 85 Ca 0.01 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 2hil n ASN 85 Cb 0.41 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 2hil n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hil n GLY 86 N -1.23 3.05 3.70 7.41 0.00 0.18 -4.74 105.19 113.56 2hil n GLY 86 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2hil n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hil s VAL 87 N -1.22 4.92 -0.26 1.61 1.01 -1.01 -4.57 120.40 120.88 2hil s VAL 87 Ca 0.00 1.76 -0.05 0.00 0.00 0.00 0.00 61.98 63.70 2hil s VAL 87 Cb 0.00 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2hil s VAL 87 CO 0.00 0.14 0.01 0.54 0.00 0.00 0.00 175.10 175.80 2hil s VAL 88 N 1.30 3.53 -0.10 2.92 0.11 0.10 0.14 120.40 128.41 2hil s VAL 88 Ca 0.44 -0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 58.74 2hil s VAL 88 Cb -0.19 -2.76 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 2hil s VAL 88 CO 0.20 0.19 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.26 2hil s THR 89 N 1.45 4.11 -0.15 5.04 2.01 -0.12 -0.17 115.64 127.80 2hil s THR 89 Ca 0.03 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 2hil s THR 89 Cb -0.16 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 2hil s THR 89 CO -0.01 0.58 -0.13 0.00 -0.69 0.00 0.00 174.62 174.37 2hil s ALA 90 N -0.60 2.59 -0.13 7.40 0.00 -0.16 -1.51 121.76 129.34 2hil s ALA 90 Ca 0.10 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2hil s ALA 90 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2hil s ALA 90 CO 0.02 0.01 0.13 0.99 0.00 0.00 0.00 175.76 176.91 2hil s THR 91 N 0.74 5.38 0.02 0.00 2.01 -0.67 -2.32 115.64 120.80 2hil s THR 91 Ca -0.06 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.84 2hil s THR 91 Cb -0.15 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2hil s THR 91 CO 0.01 0.58 0.83 -0.04 -0.69 0.00 0.00 174.62 175.32 2hil s MET 92 N -0.71 4.53 0.20 4.92 -1.94 0.97 0.22 119.30 127.48 2hil s MET 92 Ca 0.13 1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 55.25 2hil s MET 92 Cb -0.12 -3.41 0.04 0.00 2.01 0.00 0.00 34.83 33.35 2hil s MET 92 CO 0.03 0.13 0.10 -0.11 -0.01 0.00 0.00 175.02 175.16 2hil n LEU 93 N 3.33 0.00 -0.00 -0.03 -0.00 0.98 -0.03 117.00 121.25 2hil n LEU 93 Ca 0.01 -0.10 0.01 0.00 -0.00 0.00 0.00 56.01 55.93 2hil n LEU 93 Cb 0.51 -0.14 -0.02 0.00 -0.00 0.00 0.00 43.42 43.76 2hil n LEU 93 CO 0.49 -1.55 -0.41 -0.24 -0.00 0.00 0.00 177.39 175.68 2hil n SER 94 N -2.19 3.38 -4.24 1.96 2.88 -1.26 -1.14 113.62 113.01 2hil n SER 94 Ca 0.02 -0.13 -0.32 0.00 -1.33 0.00 0.00 58.87 57.11 2hil n SER 94 Cb 0.07 1.10 -0.17 0.00 -0.75 0.00 0.00 64.21 64.46 2hil n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2hil s SER 95 N -2.07 3.12 0.00 -3.46 0.01 -1.26 -4.67 113.70 105.37 2hil s SER 95 Ca -0.01 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2hil s SER 95 Cb 0.02 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.97 2hil s SER 95 CO 0.11 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2hil n GLY 96 N 3.38 0.83 3.82 3.44 0.00 -1.26 -4.78 105.19 110.61 2hil n GLY 96 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2hil n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hil s VAL 97 N -2.08 1.34 0.00 1.61 -7.23 -1.26 -4.86 120.40 107.91 2hil s VAL 97 Ca 0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 2hil s VAL 97 Cb 0.00 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2hil s VAL 97 CO 0.00 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 171.59 2hil n ASN 98 N -1.46 0.00 0.00 4.85 5.15 -1.26 -4.97 115.26 117.57 2hil n ASN 98 Ca -0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 2hil n ASN 98 Cb 0.66 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.91 2hil n ASN 98 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2hil n ASN 99 N 0.00 0.00 -1.05 1.20 5.15 -1.26 -4.92 115.26 114.37 2hil n ASN 99 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 2hil n ASN 99 Cb 0.00 0.00 0.28 0.00 -0.53 0.00 0.00 39.78 39.53 2hil n ASN 99 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2hil n GLU 100 N -0.29 3.24 0.00 1.20 0.28 -1.26 -4.45 120.64 119.36 2hil n GLU 100 Ca 0.00 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.10 2hil n GLU 100 Cb 0.00 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 30.96 2hil n GLU 100 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2hil n ILE 101 N -0.33 0.00 -2.34 3.84 -5.35 -1.26 -4.77 119.36 109.16 2hil n ILE 101 Ca 0.22 -0.19 -0.37 0.00 -0.27 0.00 0.00 62.75 62.14 2hil n ILE 101 Cb 0.94 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.99 2hil n ILE 101 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2hil s LYS 102 N -0.28 3.85 0.00 6.28 -2.85 -1.26 -2.03 119.74 123.44 2hil s LYS 102 Ca 0.00 1.69 0.00 0.00 -1.00 0.00 0.00 55.97 56.66 2hil s LYS 102 Cb 0.00 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2hil s LYS 102 CO 0.00 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.41 2hil n GLY 103 N 0.38 0.26 3.88 0.59 0.00 0.95 -4.96 105.19 106.29 2hil n GLY 103 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2hil n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hil s LYS 104 N -1.03 3.22 0.22 1.61 1.02 -0.86 -4.71 119.74 119.20 2hil s LYS 104 Ca 0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 2hil s LYS 104 Cb 0.00 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 2hil s LYS 104 CO 0.00 0.51 0.26 -1.59 -0.92 0.00 0.00 175.35 173.60 2hil s LYS 105 N -3.17 1.32 0.35 1.68 0.00 -0.41 -0.02 119.74 119.49 2hil s LYS 105 Ca 0.33 -1.48 0.03 0.00 0.00 0.00 0.00 55.97 54.85 2hil s LYS 105 Cb -0.11 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.03 2hil s LYS 105 CO 0.26 -0.48 0.11 -0.48 0.00 0.00 0.00 175.35 174.77 2hil s LEU 106 N -3.10 1.94 0.03 2.77 -0.00 -0.98 -2.32 118.68 117.02 2hil s LEU 106 Ca 0.32 -1.54 -0.01 0.00 -0.00 0.00 0.00 54.13 52.91 2hil s LEU 106 Cb 0.04 -0.11 -0.03 0.00 -0.00 0.00 0.00 46.19 46.10 2hil s LEU 106 CO 0.11 -0.81 -0.02 -0.44 -0.00 0.00 0.00 176.35 175.18 2hil s SER 107 N -3.50 0.34 -0.07 1.48 0.01 -0.47 -0.99 113.70 110.49 2hil s SER 107 Ca 0.31 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.89 2hil s SER 107 Cb 0.05 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.44 2hil s SER 107 CO 0.15 -0.43 -0.15 -0.76 0.41 0.00 0.00 173.24 172.46 2hil s LEU 108 N -2.09 1.77 0.09 2.44 1.02 0.76 -1.68 118.68 121.00 2hil s LEU 108 Ca -0.06 -0.36 -0.05 0.00 0.02 0.00 0.00 54.13 53.68 2hil s LEU 108 Cb -0.02 -0.97 -0.02 0.00 0.02 0.00 0.00 46.19 45.20 2hil s LEU 108 CO -0.05 0.07 0.12 -1.66 0.02 0.00 0.00 176.35 174.85 2hil s TRP 109 N 0.53 0.41 0.43 0.29 -2.14 -1.08 0.01 118.94 117.40 2hil s TRP 109 Ca -0.15 -0.86 0.03 0.00 2.66 0.00 0.00 56.10 57.78 2hil s TRP 109 Cb -0.16 -0.23 -0.03 0.00 -3.10 0.00 0.00 33.47 29.95 2hil s TRP 109 CO 0.05 -0.52 0.07 0.00 -2.66 0.00 0.00 176.95 173.89 2hil s ALA 110 N -3.93 3.27 -0.01 2.67 0.00 -1.26 -0.64 121.76 121.86 2hil s ALA 110 Ca 0.10 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2hil s ALA 110 Cb 0.06 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2hil s ALA 110 CO -0.07 -0.21 0.03 0.50 0.00 0.00 0.00 175.76 176.01 2hil s ARG 111 N -3.79 0.03 0.06 0.00 3.52 -0.53 -4.94 118.95 113.30 2hil s ARG 111 Ca 0.20 0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 2hil s ARG 111 Cb 0.04 0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 33.35 2hil s ARG 111 CO 0.11 -0.01 1.79 0.50 -0.81 0.00 0.00 175.30 176.89 2hil s ARG 112 N 0.05 4.16 0.00 5.12 6.06 -1.26 -1.75 118.95 131.33 2hil s ARG 112 Ca -0.00 2.47 0.22 0.00 -2.50 0.00 0.00 55.73 55.92 2hil s ARG 112 Cb -0.01 -3.80 -0.16 0.00 0.06 0.00 0.00 34.95 31.04 2hil s ARG 112 CO -0.00 -0.84 0.85 0.39 -2.50 0.00 0.00 175.30 173.19 2hil n GLU 113 N 6.34 0.23 -1.02 5.12 1.02 0.38 -4.90 120.64 127.82 2hil n GLU 113 Ca 0.18 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2hil n GLU 113 Cb 0.40 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2hil n GLU 113 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hil n ASN 114 N -1.79 -1.36 0.00 1.62 3.02 -1.26 -4.70 115.26 110.78 2hil n ASN 114 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2hil n ASN 114 Cb 0.41 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2hil n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hil n GLY 115 N 0.06 1.85 3.84 7.41 0.00 -1.26 -4.99 105.19 112.10 2hil n GLY 115 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2hil n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hil s SER 116 N -1.55 -0.05 0.14 1.61 1.04 -1.26 -5.10 113.70 108.53 2hil s SER 116 Ca 0.00 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.79 2hil s SER 116 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 2hil s SER 116 CO 0.00 -1.07 -0.05 0.68 0.98 0.00 0.00 173.24 173.79 2hil s VAL 117 N -2.52 0.83 -0.04 5.02 -7.23 -1.26 0.14 120.40 115.34 2hil s VAL 117 Ca 0.18 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 2hil s VAL 117 Cb -0.03 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 2hil s VAL 117 CO 0.05 -0.68 -0.25 -0.75 -0.31 0.00 0.00 175.10 173.17 2hil s LYS 118 N -3.84 2.23 0.06 4.82 2.20 -0.72 -4.85 119.74 119.63 2hil s LYS 118 Ca 0.18 -0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 54.89 2hil s LYS 118 Cb 0.05 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 2hil s LYS 118 CO 0.00 0.46 0.24 -1.58 -0.36 0.00 0.00 175.35 174.11 2hil s TRP 119 N -0.38 3.52 0.23 4.03 0.52 -1.26 -1.45 118.94 124.16 2hil s TRP 119 Ca 0.03 0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.61 2hil s TRP 119 Cb -0.11 -1.84 -0.05 0.00 -1.15 0.00 0.00 33.47 30.31 2hil s TRP 119 CO 0.01 0.58 -0.17 -0.06 0.02 0.00 0.00 176.95 177.33 2hil s PHE 120 N -1.48 1.94 -0.06 -1.98 0.08 0.19 -4.99 117.98 111.68 2hil s PHE 120 Ca 0.34 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 2hil s PHE 120 Cb -0.13 -0.87 0.04 0.00 -0.57 0.00 0.00 43.02 41.49 2hil s PHE 120 CO 0.24 0.50 0.12 0.00 -0.10 0.00 0.00 175.22 175.98 2hil n GLY 122 N 4.35 1.28 3.77 0.00 0.00 -0.68 -1.30 105.19 112.62 2hil n GLY 122 Ca -0.24 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2hil n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hil s GLN 123 N 1.74 4.56 0.03 1.61 -0.21 -1.26 -1.37 119.66 124.76 2hil s GLN 123 Ca 0.00 1.49 -0.11 0.00 0.02 0.00 0.00 55.36 56.76 2hil s GLN 123 Cb 0.00 -2.91 -0.06 0.00 1.00 0.00 0.00 33.01 31.04 2hil s GLN 123 CO 0.00 0.22 0.25 -2.30 -2.12 0.00 0.00 175.29 171.35 2hil n PRO 124 N 0.72 0.00 -4.01 2.91 -0.02 -1.26 -4.48 135.00 128.86 2hil n PRO 124 Ca 0.01 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.41 2hil n PRO 124 Cb 0.48 -0.40 -0.09 0.00 -0.02 0.00 0.00 33.50 33.47 2hil n PRO 124 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hil s VAL 125 N -0.17 0.18 0.09 -1.45 0.11 -1.26 -1.86 120.40 116.04 2hil s VAL 125 Ca 0.25 -1.52 0.09 0.00 -2.93 0.00 0.00 61.98 57.87 2hil s VAL 125 Cb -0.35 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 2hil s VAL 125 CO 0.18 -0.84 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.01 2hil s THR 126 N -3.55 2.61 -0.07 5.04 2.01 0.23 -4.70 115.64 117.21 2hil s THR 126 Ca 0.03 -1.47 -0.18 0.00 0.31 0.00 0.00 61.69 60.38 2hil s THR 126 Cb 0.05 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2hil s THR 126 CO -0.09 0.19 0.50 -0.60 -0.69 0.00 0.00 174.62 173.93 2hil s ARG 127 N -1.83 4.26 -0.01 4.92 3.52 -1.26 0.29 118.95 128.83 2hil s ARG 127 Ca 0.15 0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2hil s ARG 127 Cb -0.10 -3.37 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 2hil s ARG 127 CO 0.07 0.31 -0.02 2.41 -0.81 0.00 0.00 175.30 177.25 2hil n THR 128 N 3.09 0.13 -4.69 4.11 -1.04 0.21 -4.94 114.28 111.15 2hil n THR 128 Ca -0.08 0.47 -0.31 0.00 -2.04 0.00 0.00 64.05 62.09 2hil n THR 128 Cb 0.52 -1.58 -0.08 0.00 -1.82 0.00 0.00 70.33 67.36 2hil n THR 128 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2hil s ASP 129 N -3.93 3.83 0.12 8.00 3.84 -0.83 -4.98 116.67 122.72 2hil s ASP 129 Ca -0.02 -1.61 0.07 0.00 -0.00 0.00 0.00 52.55 50.99 2hil s ASP 129 Cb 0.00 0.38 0.38 0.00 -1.38 0.00 0.00 42.92 42.29 2hil s ASP 129 CO 0.03 -0.80 1.14 0.47 -0.00 0.00 0.00 175.17 176.01 2hil n ASP 130 N -1.21 0.18 -1.41 2.11 9.92 -1.26 -1.66 116.55 123.22 2hil n ASP 130 Ca -0.15 0.52 0.04 0.00 -0.53 0.00 0.00 54.79 54.67 2hil n ASP 130 Cb 0.67 -0.52 0.05 0.00 -0.64 0.00 0.00 41.12 40.67 2hil n ASP 130 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2hil n ASP 131 N -1.71 1.11 -3.65 -2.24 2.03 -1.26 -4.71 116.55 106.13 2hil n ASP 131 Ca -0.00 -2.25 -0.09 0.00 0.52 0.00 0.00 54.79 52.96 2hil n ASP 131 Cb 0.11 -0.33 -0.08 0.00 -0.72 0.00 0.00 41.12 40.10 2hil n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2hil s THR 132 N -0.50 -0.00 0.36 5.18 2.01 -0.67 -5.01 115.64 117.02 2hil s THR 132 Ca 0.34 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.40 2hil s THR 132 Cb 0.39 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 2hil s THR 132 CO -0.15 0.01 0.08 0.68 -0.69 0.00 0.00 174.62 174.54 2hil s VAL 133 N 1.35 0.97 0.08 3.82 -7.23 -1.26 0.67 120.40 118.79 2hil s VAL 133 Ca -0.08 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 57.92 2hil s VAL 133 Cb -0.06 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.32 2hil s VAL 133 CO -0.15 0.00 0.40 0.00 -0.31 0.00 0.00 175.10 175.04 2hil s ALA 134 N -3.25 -0.95 -0.01 1.32 0.00 0.14 -4.80 121.76 114.20 2hil s ALA 134 Ca 0.30 0.14 -0.36 0.00 0.00 0.00 0.00 51.96 52.04 2hil s ALA 134 Cb 0.06 0.48 -0.15 0.00 0.00 0.00 0.00 23.12 23.51 2hil s ALA 134 CO 0.14 -0.53 1.59 -0.25 0.00 0.00 0.00 175.76 176.72 2hil n ASP 135 N 0.21 2.50 -2.82 0.00 8.00 -1.26 0.78 116.55 123.97 2hil n ASP 135 Ca -0.17 1.07 -0.29 0.00 0.71 0.00 0.00 54.79 56.11 2hil n ASP 135 Cb 0.61 -1.27 -0.07 0.00 -0.02 0.00 0.00 41.12 40.37 2hil n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hil n ALA 136 N 4.17 6.85 -1.64 2.24 0.00 -0.78 -4.69 120.51 126.66 2hil n ALA 136 Ca 0.21 -3.08 -0.50 0.00 0.00 0.00 0.00 53.44 50.06 2hil n ALA 136 Cb 0.22 -2.70 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 2hil n ALA 136 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2hil n LYS 137 N 2.33 1.78 0.00 0.00 0.00 -1.26 -4.62 118.16 116.39 2hil n LYS 137 Ca 0.59 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 59.53 2hil n LYS 137 Cb 0.49 -2.55 0.00 0.00 -0.00 0.00 0.00 35.03 32.98 2hil n LYS 137 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2hil n ASP 138 N 7.27 0.00 0.00 -5.58 5.75 -1.26 -5.05 116.55 117.69 2hil n ASP 138 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 2hil n ASP 138 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2hil n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hil n GLY 139 N 0.00 0.60 1.19 6.12 0.00 -1.26 -4.98 105.19 106.87 2hil n GLY 139 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2hil n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hil n LYS 140 N -1.33 3.44 -2.54 1.61 4.76 -1.26 -5.00 118.16 117.85 2hil n LYS 140 Ca 0.00 -2.75 -0.40 0.00 -2.87 0.00 0.00 58.31 52.29 2hil n LYS 140 Cb 0.00 -1.80 -0.05 0.00 -1.84 0.00 0.00 35.03 31.34 2hil n LYS 140 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2hil s GLU 141 N -2.15 4.68 0.12 1.97 1.03 -1.26 -1.29 118.70 121.80 2hil s GLU 141 Ca 0.43 1.73 -0.31 0.00 0.03 0.00 0.00 54.97 56.85 2hil s GLU 141 Cb 0.30 -3.20 -0.09 0.00 -0.80 0.00 0.00 34.13 30.35 2hil s GLU 141 CO 0.16 0.28 1.51 0.42 -1.33 0.00 0.00 175.26 176.30 2hil s ILE 142 N -1.17 3.00 0.24 1.83 1.01 -0.98 -4.77 121.20 120.36 2hil s ILE 142 Ca 0.44 0.66 -0.31 0.00 0.00 0.00 0.00 60.65 61.44 2hil s ILE 142 Cb -0.31 -3.43 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 2hil s ILE 142 CO 0.39 0.04 1.47 0.47 0.00 0.00 0.00 174.94 177.30 2hil n ASP 143 N 4.32 3.03 -0.35 3.58 8.00 -1.26 -4.88 116.55 128.98 2hil n ASP 143 Ca 0.13 1.14 0.30 0.00 0.71 0.00 0.00 54.79 57.07 2hil n ASP 143 Cb 0.40 -1.47 0.56 0.00 -0.02 0.00 0.00 41.12 40.60 2hil n ASP 143 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2hil h THR 144 N 3.17 0.15 0.00 -3.53 2.02 -1.96 0.27 112.91 113.04 2hil h THR 144 Ca -0.45 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2hil h THR 144 Cb 1.26 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2hil h THR 144 CO 0.78 0.03 -0.00 0.07 0.37 0.00 0.00 175.52 176.76 2hil h LYS 145 N 0.15 0.00 -0.01 6.66 2.10 -2.00 -1.56 116.57 121.91 2hil h LYS 145 Ca 0.80 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.45 2hil h LYS 145 Cb 2.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.42 2hil h LYS 145 CO -0.62 0.00 -0.23 0.72 -2.00 0.00 0.00 179.45 177.32 2hil n HIS 146 N -3.69 0.00 -3.67 0.07 8.25 0.96 -4.90 115.22 112.23 2hil n HIS 146 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 2hil n HIS 146 Cb 0.08 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.05 2hil n HIS 146 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hil s LEU 147 N -2.37 4.34 1.11 2.41 1.43 -0.59 -4.62 118.68 120.38 2hil s LEU 147 Ca 0.26 0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 53.73 2hil s LEU 147 Cb 0.19 -2.27 0.11 0.00 0.03 0.00 0.00 46.19 44.25 2hil s LEU 147 CO 0.48 0.26 0.08 -2.65 0.23 0.00 0.00 176.35 174.75 2hil n PRO 148 N 2.66 -1.54 0.20 1.29 -0.02 -1.26 -4.84 135.00 131.48 2hil n PRO 148 Ca -0.16 -0.43 0.08 0.00 -2.02 0.00 0.00 63.50 60.97 2hil n PRO 148 Cb 0.53 -1.73 0.36 0.00 -0.02 0.00 0.00 33.50 32.64 2hil n PRO 148 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2hil h SER 149 N -2.06 0.00 -0.04 2.55 0.87 -1.97 -2.70 113.55 110.20 2hil h SER 149 Ca -0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2hil h SER 149 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2hil h SER 149 CO 0.38 0.29 0.00 0.35 -0.53 0.00 0.00 176.83 177.33 2hil n THR 150 N -3.39 0.05 -2.60 2.23 -2.24 -1.26 -3.97 114.28 103.09 2hil n THR 150 Ca 0.00 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2hil n THR 150 Cb 0.49 0.02 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 2hil n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hil n ARG 152 N -0.23 3.14 -2.17 0.00 5.12 -1.20 -4.12 116.66 117.20 2hil n ARG 152 Ca 0.19 -2.91 -0.41 0.00 -1.93 0.00 0.00 57.85 52.79 2hil n ARG 152 Cb 0.78 -1.91 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 2hil n ARG 152 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2hil s ASP 153 N -1.80 6.85 0.30 0.55 1.01 -0.42 -4.98 116.67 118.18 2hil s ASP 153 Ca 0.44 2.57 -0.05 0.00 0.71 0.00 0.00 52.55 56.22 2hil s ASP 153 Cb 0.36 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 2hil s ASP 153 CO 0.09 -0.51 0.58 0.20 0.21 0.00 0.00 175.17 175.74 2hil s ASN 154 N -0.23 6.44 0.49 0.27 0.02 -1.26 -4.19 114.94 116.48 2hil s ASN 154 Ca 0.52 0.74 0.31 0.00 -1.02 0.00 0.00 52.86 53.41 2hil s ASN 154 Cb -0.38 -2.16 1.40 0.00 0.02 0.00 0.00 41.25 40.13 2hil s ASN 154 CO 0.47 -0.22 1.77 2.19 0.02 0.00 0.00 177.10 181.32 2hil h PHE 155 N 1.59 0.27 -0.52 2.20 -0.00 -1.92 0.51 116.94 119.06 2hil h PHE 155 Ca -0.48 0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 57.48 2hil h PHE 155 Cb 1.19 -0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 37.05 2hil h PHE 155 CO 0.58 0.00 0.03 -0.40 -0.00 0.00 0.00 178.31 178.52 2hil n ASP 156 N -4.37 5.21 -4.77 -0.68 3.85 -1.26 -4.61 116.55 109.92 2hil n ASP 156 Ca 0.27 -3.00 -0.40 0.00 -0.71 0.00 0.00 54.79 50.95 2hil n ASP 156 Cb 1.17 -0.66 -0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2hil n ASP 156 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2hil s ALA 157 N -2.82 3.42 0.00 2.12 0.00 0.17 -5.19 121.76 119.46 2hil s ALA 157 Ca 0.52 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2hil s ALA 157 Cb 0.40 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2hil s ALA 157 CO 0.14 -0.96 0.37 1.17 0.00 0.00 0.00 175.76 176.47