#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aro n VAL 21 N 0.00 2.31 -2.72 -0.18 0.31 -1.26 -4.96 118.33 111.83 2aro n VAL 21 Ca 0.00 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 2aro n VAL 21 Cb 0.00 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 2aro n VAL 21 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2aro s LEU 22 N -1.67 3.92 -0.59 7.52 2.96 -1.26 -4.99 118.68 124.57 2aro s LEU 22 Ca 0.58 0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 55.13 2aro s LEU 22 Cb -0.51 -3.40 0.15 0.00 0.50 0.00 0.00 46.19 42.93 2aro s LEU 22 CO 0.60 -0.93 0.43 -0.13 -1.32 0.00 0.00 176.35 175.00 2aro s ARG 23 N 3.70 2.60 -0.28 1.98 0.52 -1.26 -4.91 118.95 121.29 2aro s ARG 23 Ca 0.42 -2.26 0.20 0.00 -0.52 0.00 0.00 55.73 53.58 2aro s ARG 23 Cb -0.11 -3.84 0.49 0.00 0.52 0.00 0.00 34.95 32.01 2aro s ARG 23 CO 0.20 -1.18 1.06 -3.47 0.02 0.00 0.00 175.30 171.94 2aro n ASP 24 N 4.01 1.75 0.11 0.23 2.03 -1.26 -4.93 116.55 118.50 2aro n ASP 24 Ca 0.04 -2.35 0.10 0.00 0.52 0.00 0.00 54.79 53.10 2aro n ASP 24 Cb 0.40 -0.49 0.46 0.00 -0.72 0.00 0.00 41.12 40.77 2aro n ASP 24 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2aro n ASN 25 N -0.44 0.50 0.09 1.67 4.13 -1.26 -1.82 115.26 118.14 2aro n ASN 25 Ca 0.10 0.66 0.16 0.00 1.68 0.00 0.00 54.58 57.18 2aro n ASN 25 Cb 0.81 -0.75 0.69 0.00 -1.54 0.00 0.00 39.78 38.98 2aro n ASN 25 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2aro h ILE 26 N 0.00 0.79 0.00 2.41 6.09 -1.97 0.15 117.51 124.98 2aro h ILE 26 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2aro h ILE 26 Cb 0.21 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.32 2aro h ILE 26 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 2aro n GLN 27 N -4.38 0.15 0.23 2.19 1.13 -0.76 -2.11 117.38 113.84 2aro n GLN 27 Ca 0.05 0.27 0.16 0.00 -1.94 0.00 0.00 57.00 55.54 2aro n GLN 27 Cb 0.43 -1.73 0.76 0.00 0.11 0.00 0.00 30.24 29.81 2aro n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2aro h GLY 28 N 3.32 0.00 -6.32 1.08 0.00 -1.15 -3.41 103.07 96.60 2aro h GLY 28 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2aro h GLY 28 CO 0.00 0.00 0.39 -0.42 0.00 0.00 0.00 176.54 176.51 2aro s ILE 29 N -3.69 4.79 0.23 2.60 -1.09 -0.89 -5.00 121.20 118.14 2aro s ILE 29 Ca -0.01 1.16 -0.06 0.00 -2.23 0.00 0.00 60.65 59.50 2aro s ILE 29 Cb 0.09 -4.15 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 2aro s ILE 29 CO 0.36 -0.26 0.50 -0.89 -1.23 0.00 0.00 174.94 173.42 2aro s THR 30 N 2.96 5.03 0.21 2.92 2.01 -1.26 -4.95 115.64 122.55 2aro s THR 30 Ca 0.32 0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.37 2aro s THR 30 Cb -0.14 -3.67 0.22 0.00 0.01 0.00 0.00 72.50 68.92 2aro s THR 30 CO 0.13 -0.14 1.64 0.50 -0.69 0.00 0.00 174.62 176.05 2aro h LYS 31 N 2.27 0.03 -0.33 4.92 3.64 -1.94 -2.19 116.57 122.97 2aro h LYS 31 Ca -0.47 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.84 2aro h LYS 31 Cb 1.18 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2aro h LYS 31 CO 0.69 0.02 -0.07 -1.35 -2.27 0.00 0.00 179.45 176.46 2aro h PRO 32 N 0.03 0.54 -0.44 1.90 0.11 -1.98 0.04 132.00 132.19 2aro h PRO 32 Ca 0.30 -0.14 0.01 0.00 0.11 0.00 0.00 66.00 66.29 2aro h PRO 32 Cb 0.48 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 2aro h PRO 32 CO -0.61 0.62 0.28 0.00 -0.21 0.00 0.00 178.00 178.08 2aro h ALA 33 N 1.42 0.56 -0.57 -0.75 0.00 -1.85 -1.27 119.26 116.80 2aro h ALA 33 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2aro h ALA 33 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2aro h ALA 33 CO 0.02 -0.03 0.03 0.82 0.00 0.00 0.00 179.25 180.10 2aro h ILE 34 N 0.56 1.26 -0.74 0.00 2.04 -1.08 -1.36 117.51 118.20 2aro h ILE 34 Ca 0.17 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 2aro h ILE 34 Cb -0.03 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2aro h ILE 34 CO -0.06 0.39 0.24 -0.09 0.00 0.00 0.00 178.15 178.63 2aro h ARG 35 N 0.87 1.13 -0.26 2.37 2.43 -0.83 -1.15 114.38 118.93 2aro h ARG 35 Ca 0.16 -0.23 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 2aro h ARG 35 Cb 0.50 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2aro h ARG 35 CO 0.02 0.96 -0.45 0.00 -1.51 0.00 0.00 179.97 178.98 2aro h ARG 36 N 1.09 0.68 -0.82 0.20 3.08 -0.93 -1.61 114.38 116.07 2aro h ARG 36 Ca 0.24 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2aro h ARG 36 Cb 0.29 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2aro h ARG 36 CO -0.01 0.99 0.35 -0.07 -1.07 0.00 0.00 179.97 180.16 2aro h LEU 37 N 0.54 1.11 -0.66 3.04 3.38 -0.99 -1.30 115.31 120.44 2aro h LEU 37 Ca 0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2aro h LEU 37 Cb 1.00 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2aro h LEU 37 CO 0.09 0.96 0.21 0.00 0.09 0.00 0.00 178.44 179.79 2aro h ALA 38 N 1.19 0.86 -0.62 1.53 0.00 -0.89 -0.85 119.26 120.47 2aro h ALA 38 Ca 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2aro h ALA 38 Cb 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2aro h ALA 38 CO -0.03 0.53 0.21 0.00 0.00 0.00 0.00 179.25 179.97 2aro h ARG 39 N 0.95 0.96 -0.78 0.00 2.47 -1.14 0.63 114.38 117.47 2aro h ARG 39 Ca 0.21 -0.20 0.06 0.00 -1.26 0.00 0.00 59.98 58.80 2aro h ARG 39 Cb 0.29 -0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 2aro h ARG 39 CO -0.01 0.84 0.51 -0.09 0.56 0.00 0.00 179.97 181.78 2aro h ARG 40 N 0.89 0.83 0.00 0.04 2.43 -0.98 -0.30 114.38 117.29 2aro h ARG 40 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2aro h ARG 40 Cb 0.27 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2aro h ARG 40 CO -0.01 0.55 0.00 0.41 -1.51 0.00 0.00 179.97 179.41 2aro n GLY 41 N -1.43 -0.95 2.08 2.80 0.00 -0.35 -4.89 105.19 102.46 2aro n GLY 41 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2aro n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aro n GLY 42 N 0.57 0.54 3.68 -0.02 0.00 -0.12 -5.02 105.19 104.82 2aro n GLY 42 Ca 0.06 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2aro n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aro s VAL 43 N -2.12 4.90 0.04 1.61 1.01 0.12 -4.96 120.40 121.00 2aro s VAL 43 Ca 0.00 1.66 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 2aro s VAL 43 Cb 0.00 -4.15 -0.29 0.00 0.00 0.00 0.00 36.38 31.94 2aro s VAL 43 CO 0.00 0.07 1.01 0.50 0.00 0.00 0.00 175.10 176.68 2aro h LYS 44 N 7.19 0.31 -2.96 2.72 3.64 -1.95 -3.38 116.57 122.14 2aro h LYS 44 Ca -0.32 -0.52 -0.15 0.00 -1.27 0.00 0.00 60.65 58.39 2aro h LYS 44 Cb 1.15 0.19 -0.25 0.00 -0.41 0.00 0.00 32.23 32.91 2aro h LYS 44 CO 0.82 1.22 -0.35 0.50 -2.27 0.00 0.00 179.45 179.37 2aro s ARG 45 N -2.63 0.37 -0.13 1.90 3.52 -1.26 -5.12 118.95 115.59 2aro s ARG 45 Ca -0.07 0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.97 2aro s ARG 45 Cb 0.06 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 2aro s ARG 45 CO 0.88 -0.05 -0.06 0.42 -0.81 0.00 0.00 175.30 175.69 2aro s ILE 46 N 0.21 0.97 0.46 4.11 1.01 -1.26 -5.12 121.20 121.58 2aro s ILE 46 Ca -0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.02 2aro s ILE 46 Cb -0.02 -1.08 -0.08 0.00 0.01 0.00 0.00 42.46 41.29 2aro s ILE 46 CO 0.00 0.25 1.38 -0.24 0.00 0.00 0.00 174.94 176.33 2aro n SER 47 N 4.94 3.01 0.13 3.58 2.88 -1.26 -4.90 113.62 122.00 2aro n SER 47 Ca -0.12 1.09 0.17 0.00 -1.33 0.00 0.00 58.87 58.69 2aro n SER 47 Cb 0.49 -1.57 0.75 0.00 -0.75 0.00 0.00 64.21 63.13 2aro n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2aro h GLY 48 N 2.08 0.00 2.00 0.46 0.00 -2.05 -1.72 103.07 103.84 2aro h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2aro h GLY 48 CO 0.60 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.55 2aro h LEU 49 N 0.00 0.00 -1.39 3.11 3.38 -2.04 -3.23 115.31 115.14 2aro h LEU 49 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2aro h LEU 49 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2aro h LEU 49 CO -0.00 0.00 -0.25 0.16 0.09 0.00 0.00 178.44 178.44 2aro h ILE 50 N 0.00 0.76 -0.51 1.22 -0.00 -1.67 -3.12 117.51 114.19 2aro h ILE 50 Ca 0.00 -1.03 -0.00 0.00 -0.00 0.00 0.00 64.86 63.83 2aro h ILE 50 Cb 0.54 1.64 -0.02 0.00 -0.00 0.00 0.00 36.82 38.97 2aro h ILE 50 CO 0.00 0.24 0.32 1.88 -0.00 0.00 0.00 178.15 180.59 2aro h TYR 51 N 0.00 0.66 -0.16 0.16 0.05 -1.76 0.15 116.97 116.08 2aro h TYR 51 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 2aro h TYR 51 Cb 0.62 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 38.14 2aro h TYR 51 CO 0.00 0.44 -0.54 1.49 -1.05 0.00 0.00 178.16 178.50 2aro h GLU 52 N 0.68 0.64 -0.45 4.88 4.57 -1.80 -2.24 114.58 120.87 2aro h GLU 52 Ca 0.18 -0.48 0.08 0.00 -1.18 0.00 0.00 59.36 57.96 2aro h GLU 52 Cb -0.03 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.57 2aro h GLU 52 CO -0.04 1.10 0.03 1.49 -1.18 0.00 0.00 179.01 180.41 2aro h GLU 53 N 0.31 0.14 -0.85 1.92 4.57 -1.41 -1.56 114.58 117.70 2aro h GLU 53 Ca -0.02 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2aro h GLU 53 Cb 1.17 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 2aro h GLU 53 CO 0.11 0.09 0.55 1.15 -1.18 0.00 0.00 179.01 179.74 2aro h THR 54 N 0.14 1.17 -0.71 0.32 2.02 -0.61 -1.66 112.91 113.58 2aro h THR 54 Ca 0.22 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2aro h THR 54 Cb 0.32 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2aro h THR 54 CO -0.35 0.20 0.29 0.03 0.37 0.00 0.00 175.52 176.06 2aro h ARG 55 N 1.10 1.05 -0.31 6.66 3.08 -0.73 -0.09 114.38 125.13 2aro h ARG 55 Ca 0.33 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2aro h ARG 55 Cb -0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2aro h ARG 55 CO -0.10 0.85 0.19 0.78 -1.07 0.00 0.00 179.97 180.62 2aro h GLY 56 N 1.09 0.44 1.03 0.04 0.00 -0.67 -1.47 103.07 103.53 2aro h GLY 56 Ca 0.24 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 2aro h GLY 56 CO -0.02 0.17 -0.16 -0.39 0.00 0.00 0.00 176.54 176.14 2aro h VAL 57 N 0.41 1.28 -0.86 4.60 -1.51 -0.97 -2.21 116.25 116.99 2aro h VAL 57 Ca 0.11 -1.29 -0.02 0.00 -1.23 0.00 0.00 66.70 64.27 2aro h VAL 57 Cb -0.01 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 30.32 2aro h VAL 57 CO -0.02 0.44 0.45 0.25 -1.23 0.00 0.00 177.57 177.45 2aro h LEU 58 N 0.69 1.09 -0.54 4.19 5.85 -0.95 -1.51 115.31 124.13 2aro h LEU 58 Ca 0.10 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2aro h LEU 58 Cb 0.72 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2aro h LEU 58 CO 0.05 0.89 0.22 0.50 -0.34 0.00 0.00 178.44 179.77 2aro h LYS 59 N 1.20 0.80 -0.33 1.25 3.64 -1.03 -1.01 116.57 121.09 2aro h LYS 59 Ca 0.30 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2aro h LYS 59 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2aro h LYS 59 CO -0.04 0.69 0.09 0.28 -2.27 0.00 0.00 179.45 178.20 2aro h VAL 60 N 0.73 1.21 -0.06 2.00 2.07 -1.13 0.51 116.25 121.57 2aro h VAL 60 Ca 0.18 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.04 2aro h VAL 60 Cb 0.19 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2aro h VAL 60 CO -0.02 0.24 -0.21 0.15 0.02 0.00 0.00 177.57 177.75 2aro h PHE 61 N 0.37 -0.55 -0.47 1.57 3.57 -1.06 -1.79 116.94 118.59 2aro h PHE 61 Ca 0.10 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.49 2aro h PHE 61 Cb 0.27 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2aro h PHE 61 CO 0.01 -0.29 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.48 2aro h LEU 62 N -0.30 1.03 -0.15 0.59 3.38 -1.01 -1.79 115.31 117.06 2aro h LEU 62 Ca 0.08 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.68 2aro h LEU 62 Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2aro h LEU 62 CO -0.23 1.21 -0.10 -0.33 0.09 0.00 0.00 178.44 179.07 2aro h GLU 63 N 0.85 -0.10 -0.24 1.13 5.08 -0.75 0.31 114.58 120.85 2aro h GLU 63 Ca 0.10 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2aro h GLU 63 Cb 0.83 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 2aro h GLU 63 CO 0.07 -0.07 -0.15 -0.91 -1.00 0.00 0.00 179.01 176.95 2aro h ASN 64 N -0.11 -0.49 -0.21 1.42 2.35 -1.12 0.21 115.58 117.64 2aro h ASN 64 Ca 0.09 0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2aro h ASN 64 Cb 0.24 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 2aro h ASN 64 CO -0.21 -0.19 -0.07 0.58 -1.65 0.00 0.00 177.43 175.89 2aro h VAL 65 N -0.13 1.30 -0.20 2.81 2.07 -1.19 -2.98 116.25 117.92 2aro h VAL 65 Ca 0.13 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.42 2aro h VAL 65 Cb 0.33 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2aro h VAL 65 CO -0.33 0.33 -0.48 0.40 0.02 0.00 0.00 177.57 177.52 2aro h ILE 66 N 0.12 1.32 -0.33 4.57 2.04 -0.86 0.66 117.51 125.02 2aro h ILE 66 Ca 0.05 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.26 2aro h ILE 66 Cb 0.54 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2aro h ILE 66 CO 0.02 0.52 0.13 -0.09 0.00 0.00 0.00 178.15 178.74 2aro h ARG 67 N 0.41 0.27 -0.35 2.37 2.43 -0.97 -0.47 114.38 118.06 2aro h ARG 67 Ca 0.02 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 2aro h ARG 67 Cb 0.99 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2aro h ARG 67 CO 0.09 0.18 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.88 2aro h ASP 68 N 0.28 0.97 -0.77 -3.80 3.32 -1.32 -2.27 116.42 112.83 2aro h ASP 68 Ca 0.15 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 2aro h ASP 68 Cb 0.10 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 2aro h ASP 68 CO -0.14 1.25 0.48 0.00 -1.72 0.00 0.00 179.24 179.12 2aro h ALA 69 N 0.74 0.98 0.00 3.45 0.00 -0.52 -1.65 119.26 122.26 2aro h ALA 69 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2aro h ALA 69 Cb 1.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2aro h ALA 69 CO 0.10 0.43 -0.39 -0.39 0.00 0.00 0.00 179.25 178.99 2aro h VAL 70 N 1.05 0.96 -0.40 0.00 -1.51 -1.07 -2.26 116.25 113.01 2aro h VAL 70 Ca 0.28 -1.55 0.01 0.00 -1.23 0.00 0.00 66.70 64.22 2aro h VAL 70 Cb -0.07 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2aro h VAL 70 CO -0.06 0.39 0.24 0.74 -1.23 0.00 0.00 177.57 177.65 2aro h THR 71 N 0.00 1.06 -0.68 7.19 2.02 -0.76 0.13 112.91 121.88 2aro h THR 71 Ca -0.00 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.02 2aro h THR 71 Cb 0.89 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 2aro h THR 71 CO 0.05 0.09 0.44 1.88 0.37 0.00 0.00 175.52 178.35 2aro h TYR 72 N 0.49 0.83 0.06 3.16 0.05 -1.10 -1.05 116.97 119.42 2aro h TYR 72 Ca 0.16 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 2aro h TYR 72 Cb -0.01 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.45 2aro h TYR 72 CO -0.07 0.51 -0.03 1.15 -1.05 0.00 0.00 178.16 178.68 2aro h THR 73 N 0.89 1.00 -0.69 -2.88 2.02 -0.80 -2.48 112.91 109.97 2aro h THR 73 Ca 0.26 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 2aro h THR 73 Cb -0.07 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2aro h THR 73 CO -0.07 0.05 0.22 -0.33 0.37 0.00 0.00 175.52 175.76 2aro h GLU 74 N -0.16 1.06 -0.97 6.66 5.08 -0.71 -1.56 114.58 123.98 2aro h GLU 74 Ca -0.01 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2aro h GLU 74 Cb 0.14 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2aro h GLU 74 CO 0.01 0.90 0.64 1.25 -1.00 0.00 0.00 179.01 180.81 2aro h HIS 75 N 1.02 1.20 0.00 4.33 2.76 -1.10 -1.19 115.15 122.18 2aro h HIS 75 Ca 0.23 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2aro h HIS 75 Cb 0.28 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2aro h HIS 75 CO 0.02 0.73 0.00 0.00 -1.30 0.00 0.00 177.93 177.38 2aro n ALA 76 N -2.38 2.60 -3.81 5.26 0.00 -0.94 -4.90 120.51 116.34 2aro n ALA 76 Ca 0.12 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 2aro n ALA 76 Cb 0.05 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.10 2aro n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aro n LYS 77 N -0.96 -6.35 -3.98 0.00 5.02 -0.45 -5.01 118.16 106.43 2aro n LYS 77 Ca 0.21 0.68 -0.22 0.00 -2.02 0.00 0.00 58.31 56.96 2aro n LYS 77 Cb 0.10 -5.62 -0.04 0.00 -0.02 0.00 0.00 35.03 29.44 2aro n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2aro s ARG 78 N -6.50 2.69 0.00 1.97 0.52 -0.63 -5.03 118.95 111.97 2aro s ARG 78 Ca 0.62 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2aro s ARG 78 Cb -0.30 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 32.74 2aro s ARG 78 CO 0.80 0.20 0.36 1.63 0.02 0.00 0.00 175.30 178.31 2aro n LYS 79 N -1.25 2.32 -3.78 3.54 5.02 -1.26 -4.34 118.16 118.41 2aro n LYS 79 Ca -0.04 -0.36 -0.37 0.00 -2.02 0.00 0.00 58.31 55.52 2aro n LYS 79 Cb 0.59 -0.85 -0.13 0.00 -0.02 0.00 0.00 35.03 34.62 2aro n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aro s THR 80 N -0.62 3.81 -0.11 -0.18 2.01 -1.26 -5.08 115.64 114.20 2aro s THR 80 Ca 0.02 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2aro s THR 80 Cb 0.02 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2aro s THR 80 CO 0.05 0.05 1.62 -0.69 -0.69 0.00 0.00 174.62 174.96 2aro s VAL 81 N 1.46 3.66 0.44 3.82 1.01 -1.26 -4.97 120.40 124.56 2aro s VAL 81 Ca 0.02 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2aro s VAL 81 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2aro s VAL 81 CO 0.02 -0.13 0.63 0.42 0.00 0.00 0.00 175.10 176.04 2aro s THR 82 N 4.37 3.70 0.30 3.92 -4.23 -1.26 -5.00 115.64 117.44 2aro s THR 82 Ca 0.72 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2aro s THR 82 Cb -0.30 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.48 2aro s THR 82 CO 0.28 -0.20 1.91 0.00 -0.54 0.00 0.00 174.62 176.07 2aro h ALA 83 N 0.48 1.49 -0.25 3.99 0.00 -1.96 -2.20 119.26 120.83 2aro h ALA 83 Ca -0.45 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 2aro h ALA 83 Cb 1.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2aro h ALA 83 CO 0.54 0.37 -0.23 1.98 0.00 0.00 0.00 179.25 181.92 2aro h MET 84 N 1.05 0.45 -0.98 0.00 1.85 -1.95 0.11 114.93 115.47 2aro h MET 84 Ca 0.39 -0.16 0.05 0.00 -0.61 0.00 0.00 59.70 59.37 2aro h MET 84 Cb 0.19 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.13 2aro h MET 84 CO -0.15 0.66 0.64 -0.44 -0.40 0.00 0.00 176.91 177.22 2aro h ASP 85 N 0.41 1.04 -0.11 1.39 3.32 -1.76 -0.29 116.42 120.42 2aro h ASP 85 Ca 0.06 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 2aro h ASP 85 Cb 0.62 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2aro h ASP 85 CO 0.04 0.70 -0.29 0.58 -1.72 0.00 0.00 179.24 178.55 2aro h VAL 86 N 1.20 1.39 -0.40 -1.35 2.07 -0.97 -1.15 116.25 117.04 2aro h VAL 86 Ca 0.40 -1.61 0.07 0.00 0.82 0.00 0.00 66.70 66.38 2aro h VAL 86 Cb 0.06 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 2aro h VAL 86 CO -0.13 0.47 0.02 0.58 0.02 0.00 0.00 177.57 178.52 2aro h VAL 87 N -0.04 0.71 -0.56 2.57 2.07 -0.64 0.22 116.25 120.58 2aro h VAL 87 Ca -0.01 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2aro h VAL 87 Cb 0.91 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2aro h VAL 87 CO 0.06 0.02 0.21 1.88 0.02 0.00 0.00 177.57 179.77 2aro h TYR 88 N 0.13 0.86 -0.77 1.57 -1.99 -1.06 -1.61 116.97 114.10 2aro h TYR 88 Ca 0.20 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 2aro h TYR 88 Cb 0.28 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.71 2aro h TYR 88 CO -0.25 0.71 0.43 0.00 -0.00 0.00 0.00 178.16 179.04 2aro h ALA 89 N 1.07 1.29 -0.28 3.88 0.00 -0.52 -2.62 119.26 122.08 2aro h ALA 89 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2aro h ALA 89 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2aro h ALA 89 CO -0.01 0.58 0.13 -0.07 0.00 0.00 0.00 179.25 179.87 2aro h LEU 90 N 1.08 0.38 -0.98 0.00 3.38 -0.27 -2.67 115.31 116.23 2aro h LEU 90 Ca 0.27 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.33 2aro h LEU 90 Cb 0.02 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.55 2aro h LEU 90 CO -0.04 0.41 0.56 0.50 0.09 0.00 0.00 178.44 179.95 2aro h LYS 91 N 0.32 0.57 -0.28 1.13 1.63 -0.16 0.99 116.57 120.77 2aro h LYS 91 Ca 0.10 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2aro h LYS 91 Cb 0.14 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2aro h LYS 91 CO -0.01 0.38 0.13 0.00 -3.45 0.00 0.00 179.45 176.50 2aro h ARG 92 N 0.59 0.39 -0.03 1.90 2.47 -1.13 0.31 114.38 118.87 2aro h ARG 92 Ca 0.61 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 2aro h ARG 92 Cb 1.10 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2aro h ARG 92 CO -0.46 0.31 0.00 1.04 0.56 0.00 0.00 179.97 181.42 2aro n GLN 93 N -4.44 1.23 -0.87 0.04 1.13 0.20 -4.91 117.38 109.78 2aro n GLN 93 Ca 0.01 -0.34 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 2aro n GLN 93 Cb 0.12 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2aro n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aro n GLY 94 N 0.97 0.60 3.20 1.08 0.00 0.10 -5.05 105.19 106.09 2aro n GLY 94 Ca 0.18 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2aro n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aro s ARG 95 N -1.79 3.03 -0.30 1.61 0.52 -0.39 -4.97 118.95 116.66 2aro s ARG 95 Ca 0.00 -0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 2aro s ARG 95 Cb 0.00 -2.34 0.01 0.00 0.52 0.00 0.00 34.95 33.14 2aro s ARG 95 CO 0.00 0.11 0.08 0.99 0.02 0.00 0.00 175.30 176.50 2aro s THR 96 N 0.52 3.98 -0.21 0.02 2.01 -1.26 -1.18 115.64 119.51 2aro s THR 96 Ca -0.15 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 2aro s THR 96 Cb -0.17 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2aro s THR 96 CO 0.05 0.07 0.25 -0.22 -0.69 0.00 0.00 174.62 174.08 2aro s LEU 97 N 1.50 4.16 -0.01 4.42 2.96 -1.26 -5.07 118.68 125.38 2aro s LEU 97 Ca 0.03 0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2aro s LEU 97 Cb -0.17 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 2aro s LEU 97 CO 0.03 0.04 0.24 -0.31 -1.32 0.00 0.00 176.35 175.03 2aro s TYR 98 N 0.96 3.58 0.00 5.38 1.51 -1.26 -4.65 117.35 122.86 2aro s TYR 98 Ca 0.13 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 2aro s TYR 98 Cb -0.13 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2aro s TYR 98 CO 0.05 0.63 0.00 0.41 -1.11 0.00 0.00 175.55 175.53 2aro n GLY 99 N 1.17 1.13 0.69 0.71 0.00 -1.26 -5.00 105.19 102.63 2aro n GLY 99 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.94 2aro n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2aro n PHE 100 N -0.38 0.50 0.95 1.61 3.01 -1.26 -4.68 117.46 117.22 2aro n PHE 100 Ca 0.00 -1.29 0.11 0.00 1.01 0.00 0.00 57.45 57.29 2aro n PHE 100 Cb 0.00 -0.31 0.13 0.00 -0.01 0.00 0.00 39.48 39.29 2aro n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aro n GLY 101 N -1.09 -1.18 0.00 1.37 0.00 -1.26 -4.55 105.19 98.47 2aro n GLY 101 Ca 0.23 -0.42 0.15 0.00 0.00 0.00 0.00 46.02 45.98 2aro n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93