#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aro n ALA 14 N 0.00 -0.46 -2.38 7.82 0.00 -1.26 -4.96 120.51 119.27 2aro n ALA 14 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 2aro n ALA 14 Cb 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 2aro n ALA 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2aro s LYS 15 N -4.16 4.35 0.65 0.00 2.20 -1.26 -5.00 119.74 116.52 2aro s LYS 15 Ca 0.70 1.78 -0.18 0.00 -0.36 0.00 0.00 55.97 57.91 2aro s LYS 15 Cb -0.27 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 2aro s LYS 15 CO 0.54 -0.43 1.25 -1.13 -0.36 0.00 0.00 175.35 175.22 2aro n SER 16 N 4.91 1.91 -0.22 1.43 3.41 -1.26 -4.86 113.62 118.95 2aro n SER 16 Ca 0.11 0.82 0.06 0.00 -0.26 0.00 0.00 58.87 59.61 2aro n SER 16 Cb 0.45 -1.54 0.33 0.00 -0.26 0.00 0.00 64.21 63.20 2aro n SER 16 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2aro h ARG 17 N 0.51 0.79 0.17 4.33 3.08 -1.99 -2.29 114.38 118.98 2aro h ARG 17 Ca -0.51 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 2aro h ARG 17 Cb 1.34 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2aro h ARG 17 CO 0.53 0.52 -0.13 0.77 -1.07 0.00 0.00 179.97 180.58 2aro h SER 18 N 0.81 -0.35 -0.50 7.04 0.02 -1.87 -1.50 113.55 117.20 2aro h SER 18 Ca 0.34 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.42 2aro h SER 18 Cb 0.29 0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.84 2aro h SER 18 CO -0.12 -0.21 -0.26 0.28 -1.14 0.00 0.00 176.83 175.38 2aro h SER 19 N -0.32 -0.88 0.07 3.07 0.02 -1.68 -0.45 113.55 113.39 2aro h SER 19 Ca -0.01 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2aro h SER 19 Cb 0.28 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 2aro h SER 19 CO -0.01 -0.27 -0.06 0.03 -1.14 0.00 0.00 176.83 175.38 2aro h ARG 20 N -0.14 0.00 -0.01 3.45 3.08 -1.07 -1.61 114.38 118.07 2aro h ARG 20 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2aro h ARG 20 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2aro h ARG 20 CO -0.58 0.06 -0.30 0.00 -1.07 0.00 0.00 179.97 178.08 2aro n ALA 21 N -2.50 3.17 -2.45 0.04 0.00 -0.52 -4.97 120.51 113.28 2aro n ALA 21 Ca -0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 2aro n ALA 21 Cb 0.14 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.59 2aro n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aro n GLY 22 N 1.35 0.31 3.43 0.00 0.00 -0.35 -5.06 105.19 104.87 2aro n GLY 22 Ca 0.12 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 2aro n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aro s LEU 23 N -2.27 2.54 -0.19 0.99 1.43 -0.32 -5.01 118.68 115.85 2aro s LEU 23 Ca 0.08 -0.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.27 2aro s LEU 23 Cb -0.04 -1.03 -0.22 0.00 0.03 0.00 0.00 46.19 44.94 2aro s LEU 23 CO 0.10 0.02 0.07 0.00 0.23 0.00 0.00 176.35 176.77 2aro n GLN 24 N -0.33 0.68 -2.14 1.70 1.13 -1.26 -4.23 117.38 112.92 2aro n GLN 24 Ca -0.08 0.14 -0.37 0.00 -1.94 0.00 0.00 57.00 54.75 2aro n GLN 24 Cb 0.59 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.36 2aro n GLN 24 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2aro s PHE 25 N -2.53 2.71 -0.61 1.08 2.99 -1.26 -4.90 117.98 115.45 2aro s PHE 25 Ca -0.22 1.50 -0.27 0.00 0.00 0.00 0.00 56.93 57.94 2aro s PHE 25 Cb 0.08 -3.46 0.03 0.00 0.00 0.00 0.00 43.02 39.66 2aro s PHE 25 CO 0.72 -1.84 1.18 -1.25 -0.00 0.00 0.00 175.22 174.03 2aro s PRO 26 N -2.83 3.41 0.22 0.24 0.04 -1.26 -4.76 135.00 130.06 2aro s PRO 26 Ca 0.67 0.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.68 2aro s PRO 26 Cb -0.31 -4.06 0.23 0.00 0.04 0.00 0.00 34.50 30.40 2aro s PRO 26 CO 0.37 -1.77 1.86 0.28 0.04 0.00 0.00 177.00 177.78 2aro h VAL 27 N 6.11 1.11 -0.24 -0.36 2.07 -1.90 -1.47 116.25 121.57 2aro h VAL 27 Ca -0.26 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2aro h VAL 27 Cb 1.06 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2aro h VAL 27 CO 1.20 0.17 0.14 1.23 0.02 0.00 0.00 177.57 180.33 2aro h GLY 28 N 0.96 0.34 1.04 2.17 0.00 -1.93 -0.75 103.07 104.90 2aro h GLY 28 Ca 0.31 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 2aro h GLY 28 CO -0.12 0.14 0.09 -0.09 0.00 0.00 0.00 176.54 176.56 2aro h ARG 29 N 0.29 1.01 -0.90 4.80 9.65 -1.92 -2.27 114.38 125.03 2aro h ARG 29 Ca 0.08 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.70 2aro h ARG 29 Cb 0.03 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 2aro h ARG 29 CO -0.02 0.95 0.60 0.28 2.80 0.00 0.00 179.97 184.58 2aro h VAL 30 N 0.91 1.23 -0.12 0.20 2.07 -1.06 0.16 116.25 119.64 2aro h VAL 30 Ca 0.18 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2aro h VAL 30 Cb 0.44 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2aro h VAL 30 CO 0.01 0.22 0.06 -0.74 0.02 0.00 0.00 177.57 177.15 2aro h HIS 31 N 1.22 0.18 -0.65 1.57 -0.00 -0.90 -1.58 115.15 114.99 2aro h HIS 31 Ca 0.33 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.70 2aro h HIS 31 Cb -0.14 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 2aro h HIS 31 CO -0.01 0.21 0.43 -0.09 -0.00 0.00 0.00 177.93 178.47 2aro h ARG 32 N 0.09 0.85 -0.73 5.26 9.65 -1.02 -2.40 114.38 126.07 2aro h ARG 32 Ca 0.04 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2aro h ARG 32 Cb 0.10 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 2aro h ARG 32 CO -0.01 0.56 0.38 -0.07 2.80 0.00 0.00 179.97 183.64 2aro h LEU 33 N 0.88 0.92 -1.05 3.80 3.38 -0.59 0.32 115.31 122.96 2aro h LEU 33 Ca 0.24 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2aro h LEU 33 Cb -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2aro h LEU 33 CO -0.05 0.75 -0.15 -0.07 0.09 0.00 0.00 178.44 179.01 2aro h LEU 34 N 1.02 0.49 -0.02 1.67 3.38 -0.99 -2.11 115.31 118.75 2aro h LEU 34 Ca 0.26 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 2aro h LEU 34 Cb 0.05 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.68 2aro h LEU 34 CO -0.04 0.66 -1.11 0.03 0.09 0.00 0.00 178.44 178.08 2aro h ARG 35 N 0.46 0.39 0.00 1.13 3.08 -0.94 -3.28 114.38 115.22 2aro h ARG 35 Ca 0.08 -0.52 -0.07 0.00 0.07 0.00 0.00 59.98 59.54 2aro h ARG 35 Cb 0.53 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2aro h ARG 35 CO 0.03 1.19 -0.34 -0.22 -1.07 0.00 0.00 179.97 179.56 2aro h LYS 36 N 0.18 0.00 0.00 0.04 3.64 -0.12 -2.96 116.57 117.35 2aro h LYS 36 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2aro h LYS 36 Cb 1.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 2aro h LYS 36 CO 0.19 0.34 0.00 0.41 -2.27 0.00 0.00 179.45 178.12 2aro n GLY 37 N -0.42 -1.13 3.82 5.01 0.00 -0.82 -4.96 105.19 106.70 2aro n GLY 37 Ca -0.02 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2aro n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2aro n ASN 38 N -1.30 -4.27 0.01 1.61 5.15 -1.12 -4.87 115.26 110.47 2aro n ASN 38 Ca 0.11 -1.09 -0.08 0.00 -0.60 0.00 0.00 54.58 52.92 2aro n ASN 38 Cb 0.21 -2.89 -0.13 0.00 -0.53 0.00 0.00 39.78 36.43 2aro n ASN 38 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2aro h TYR 39 N -2.07 0.00 -3.06 1.20 -1.99 -1.87 -3.48 116.97 105.70 2aro h TYR 39 Ca -0.67 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.08 2aro h TYR 39 Cb 1.37 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 40.02 2aro h TYR 39 CO 0.37 0.99 0.19 0.00 -0.00 0.00 0.00 178.16 179.70 2aro s ALA 40 N -2.65 -1.27 0.23 3.88 0.00 -1.26 -5.05 121.76 115.64 2aro s ALA 40 Ca -0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 2aro s ALA 40 Cb 0.09 0.87 0.22 0.00 0.00 0.00 0.00 23.12 24.30 2aro s ALA 40 CO 0.82 -0.92 1.79 1.49 0.00 0.00 0.00 175.76 178.94 2aro h GLU 41 N 2.03 1.10 -5.70 0.00 4.81 -2.00 -3.44 114.58 111.38 2aro h GLU 41 Ca -0.25 -0.21 -0.54 0.00 -0.13 0.00 0.00 59.36 58.23 2aro h GLU 41 Cb 1.27 -0.17 -0.28 0.00 0.63 0.00 0.00 28.75 30.20 2aro h GLU 41 CO 0.30 0.91 -0.83 1.03 -0.73 0.00 0.00 179.01 179.69 2aro s ARG 42 N -5.44 1.34 -0.20 1.92 0.52 -1.26 -5.13 118.95 110.70 2aro s ARG 42 Ca -0.12 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 2aro s ARG 42 Cb 0.16 -1.34 0.03 0.00 0.52 0.00 0.00 34.95 34.32 2aro s ARG 42 CO 0.83 0.36 -0.18 0.08 0.02 0.00 0.00 175.30 176.41 2aro s VAL 43 N -0.55 2.06 0.80 3.52 1.01 -1.26 -5.08 120.40 120.90 2aro s VAL 43 Ca 0.06 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 2aro s VAL 43 Cb -0.07 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.44 2aro s VAL 43 CO 0.00 0.40 1.11 -0.83 0.00 0.00 0.00 175.10 175.78 2aro s GLY 44 N 1.25 1.75 0.28 4.51 0.00 -1.26 -4.96 107.32 108.90 2aro s GLY 44 Ca 0.02 0.40 0.06 0.00 0.00 0.00 0.00 44.72 45.20 2aro s GLY 44 CO -0.11 0.77 1.68 0.00 0.00 0.00 0.00 173.10 175.44 2aro h ALA 45 N -1.19 1.06 -0.06 3.20 0.00 -2.04 -2.91 119.26 117.32 2aro h ALA 45 Ca -0.44 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 2aro h ALA 45 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2aro h ALA 45 CO 0.49 0.61 -0.50 0.78 0.00 0.00 0.00 179.25 180.63 2aro h GLY 46 N 1.23 0.18 -0.33 0.00 0.00 -2.01 -3.35 103.07 98.80 2aro h GLY 46 Ca 0.02 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.21 2aro h GLY 46 CO 0.07 0.17 -0.52 0.00 0.00 0.00 0.00 176.54 176.27 2aro h ALA 47 N 1.35 -0.69 0.00 3.60 0.00 -1.89 -0.29 119.26 121.34 2aro h ALA 47 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2aro h ALA 47 Cb 0.94 1.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2aro h ALA 47 CO 0.07 -1.00 -0.15 -1.00 0.00 0.00 0.00 179.25 177.17 2aro h PRO 48 N -0.41 0.00 0.15 0.00 0.13 -1.72 0.11 132.00 130.26 2aro h PRO 48 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2aro h PRO 48 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2aro h PRO 48 CO -0.56 0.15 -0.07 0.28 -0.23 0.00 0.00 178.00 177.57 2aro h VAL 49 N 0.00 0.99 -0.14 1.56 2.07 -1.42 0.04 116.25 119.35 2aro h VAL 49 Ca -0.00 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.67 2aro h VAL 49 Cb 0.33 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2aro h VAL 49 CO 0.02 0.19 0.08 0.22 0.02 0.00 0.00 177.57 178.10 2aro h TYR 50 N -0.63 0.15 -0.05 1.57 3.20 -0.95 -1.71 116.97 118.54 2aro h TYR 50 Ca -0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2aro h TYR 50 Cb 0.47 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2aro h TYR 50 CO 0.05 0.09 -0.10 1.25 -1.64 0.00 0.00 178.16 177.81 2aro h LEU 51 N 0.17 -0.30 -0.87 2.82 5.85 -0.82 -1.67 115.31 120.48 2aro h LEU 51 Ca 0.05 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2aro h LEU 51 Cb -0.00 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 2aro h LEU 51 CO -0.03 -0.14 0.51 0.00 -0.34 0.00 0.00 178.44 178.45 2aro h ALA 52 N 0.87 1.24 -0.60 1.25 0.00 -0.94 -1.32 119.26 119.76 2aro h ALA 52 Ca 0.05 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2aro h ALA 52 Cb 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2aro h ALA 52 CO -0.14 0.16 0.28 0.00 0.00 0.00 0.00 179.25 179.56 2aro h ALA 53 N 1.46 0.79 -0.07 0.00 0.00 -0.93 -0.69 119.26 119.81 2aro h ALA 53 Ca 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2aro h ALA 53 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2aro h ALA 53 CO -0.23 -0.09 -0.01 0.28 0.00 0.00 0.00 179.25 179.19 2aro h VAL 54 N 0.52 1.28 -0.87 0.00 2.07 -0.75 -0.81 116.25 117.69 2aro h VAL 54 Ca 0.28 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.99 2aro h VAL 54 Cb 0.26 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 2aro h VAL 54 CO -0.23 0.24 0.57 -0.07 0.02 0.00 0.00 177.57 178.10 2aro h LEU 55 N -0.18 0.88 -0.18 2.57 3.38 -1.15 -0.64 115.31 119.99 2aro h LEU 55 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2aro h LEU 55 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2aro h LEU 55 CO 0.01 0.57 -0.20 -0.08 0.09 0.00 0.00 178.44 178.83 2aro h GLU 56 N 1.00 0.45 0.01 1.13 4.81 -0.97 -2.01 114.58 119.00 2aro h GLU 56 Ca 0.37 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2aro h GLU 56 Cb 0.16 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2aro h GLU 56 CO -0.13 0.82 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.89 2aro h TYR 57 N 0.11 -0.42 -0.87 0.92 3.20 -0.66 -0.24 116.97 119.00 2aro h TYR 57 Ca 0.03 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2aro h TYR 57 Cb 0.74 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 2aro h TYR 57 CO 0.08 -0.24 0.58 -0.07 -1.64 0.00 0.00 178.16 176.87 2aro h LEU 58 N -0.27 1.00 -0.44 2.82 3.38 -1.16 0.65 115.31 121.29 2aro h LEU 58 Ca 0.05 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2aro h LEU 58 Cb 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2aro h LEU 58 CO -0.15 0.73 0.27 0.74 0.09 0.00 0.00 178.44 180.12 2aro h THR 59 N 1.19 1.07 -0.49 0.22 2.02 -1.18 -1.63 112.91 114.10 2aro h THR 59 Ca 0.32 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2aro h THR 59 Cb -0.14 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2aro h THR 59 CO -0.07 0.10 0.32 0.00 0.37 0.00 0.00 175.52 176.24 2aro h ALA 60 N 1.18 0.62 -0.12 6.16 0.00 -0.24 -1.08 119.26 125.78 2aro h ALA 60 Ca 0.17 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2aro h ALA 60 Cb -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2aro h ALA 60 CO -0.06 0.08 -0.12 0.93 0.00 0.00 0.00 179.25 180.08 2aro h GLU 61 N 0.66 -0.14 -0.49 0.00 4.39 -0.64 -0.99 114.58 117.37 2aro h GLU 61 Ca 0.18 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 2aro h GLU 61 Cb -0.06 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2aro h GLU 61 CO -0.04 -0.10 0.04 0.82 -1.16 0.00 0.00 179.01 178.58 2aro h ILE 62 N -0.15 1.26 -0.05 3.13 2.04 -1.12 -2.39 117.51 120.22 2aro h ILE 62 Ca 0.09 -0.99 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 2aro h ILE 62 Cb 0.27 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2aro h ILE 62 CO -0.21 0.35 -0.49 -0.07 0.00 0.00 0.00 178.15 177.72 2aro h LEU 63 N 0.69 0.15 0.94 1.44 3.38 -1.07 0.14 115.31 120.97 2aro h LEU 63 Ca 0.14 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2aro h LEU 63 Cb 0.45 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2aro h LEU 63 CO 0.02 0.62 -0.45 -0.08 0.09 0.00 0.00 178.44 178.64 2aro h GLU 64 N 0.11 -1.21 -0.50 1.13 4.81 -1.13 -0.38 114.58 117.41 2aro h GLU 64 Ca 0.00 0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2aro h GLU 64 Cb 0.91 0.28 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 2aro h GLU 64 CO 0.07 -0.81 0.13 -0.07 -0.73 0.00 0.00 179.01 177.61 2aro h LEU 65 N -1.31 0.08 -0.90 1.64 3.38 -1.29 -1.69 115.31 115.23 2aro h LEU 65 Ca -0.13 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2aro h LEU 65 Cb 0.96 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2aro h LEU 65 CO 0.21 0.07 0.14 0.00 0.09 0.00 0.00 178.44 178.96 2aro h ALA 66 N 1.36 1.10 -0.77 1.53 0.00 -0.75 -0.80 119.26 120.93 2aro h ALA 66 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2aro h ALA 66 Cb 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2aro h ALA 66 CO -0.29 0.60 0.43 0.78 0.00 0.00 0.00 179.25 180.77 2aro h GLY 67 N 1.03 1.14 0.90 0.00 0.00 -0.84 -0.77 103.07 104.53 2aro h GLY 67 Ca 0.20 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2aro h GLY 67 CO 0.00 0.49 -0.21 3.43 0.00 0.00 0.00 176.54 180.25 2aro h ASN 68 N 1.07 -0.53 -0.91 0.19 -0.26 -0.78 -2.38 115.58 111.98 2aro h ASN 68 Ca 0.27 0.03 0.10 0.00 -0.56 0.00 0.00 56.30 56.15 2aro h ASN 68 Cb 0.02 0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.37 2aro h ASN 68 CO -0.05 -0.34 0.59 0.00 -1.06 0.00 0.00 177.43 176.57 2aro h ALA 69 N 0.10 1.62 -0.83 -0.83 0.00 -1.04 0.92 119.26 119.20 2aro h ALA 69 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2aro h ALA 69 Cb 0.44 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2aro h ALA 69 CO 0.03 0.19 0.45 0.00 0.00 0.00 0.00 179.25 179.92 2aro h ALA 70 N 1.55 1.23 0.08 0.00 0.00 -1.02 -3.12 119.26 117.98 2aro h ALA 70 Ca 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2aro h ALA 70 Cb 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2aro h ALA 70 CO -0.19 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.64 2aro h ARG 71 N 1.16 -0.10 0.00 0.00 2.47 -0.64 0.10 114.38 117.37 2aro h ARG 71 Ca 0.29 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2aro h ARG 71 Cb 0.03 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2aro h ARG 71 CO -0.05 0.38 0.06 -0.25 0.56 0.00 0.00 179.97 180.67 2aro n ASP 72 N -4.90 0.00 -0.52 7.04 10.43 0.18 0.29 116.55 129.07 2aro n ASP 72 Ca -0.08 0.04 0.00 0.00 2.57 0.00 0.00 54.79 57.32 2aro n ASP 72 Cb 0.27 -0.04 0.00 0.00 1.84 0.00 0.00 41.12 43.19 2aro n ASP 72 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2aro n ASN 73 N -0.80 0.09 -3.18 -2.24 4.13 -1.19 -5.04 115.26 107.04 2aro n ASN 73 Ca 0.00 -2.03 -0.23 0.00 1.68 0.00 0.00 54.58 54.00 2aro n ASN 73 Cb 0.06 -0.21 0.04 0.00 -1.54 0.00 0.00 39.78 38.13 2aro n ASN 73 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2aro n LYS 74 N -0.02 -5.29 -4.35 3.52 5.02 0.15 -5.00 118.16 112.19 2aro n LYS 74 Ca 0.01 0.85 -0.29 0.00 -2.02 0.00 0.00 58.31 56.86 2aro n LYS 74 Cb 0.71 -5.73 -0.12 0.00 -0.02 0.00 0.00 35.03 29.87 2aro n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2aro s LYS 75 N -5.86 1.63 0.00 1.97 -0.14 0.35 -5.02 119.74 112.66 2aro s LYS 75 Ca 0.37 -1.29 0.17 0.00 -1.36 0.00 0.00 55.97 53.87 2aro s LYS 75 Cb -0.17 -2.01 0.16 0.00 -1.68 0.00 0.00 37.83 34.14 2aro s LYS 75 CO 0.46 0.46 1.07 0.25 -0.76 0.00 0.00 175.35 176.83 2aro n THR 76 N 0.74 0.07 -3.71 2.17 -2.24 -1.26 -3.91 114.28 106.13 2aro n THR 76 Ca -0.16 -0.54 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 2aro n THR 76 Cb 0.53 1.30 -0.15 0.00 -2.10 0.00 0.00 70.33 69.91 2aro n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2aro s ARG 77 N -1.41 0.07 -0.10 -0.78 3.52 -1.26 -5.11 118.95 113.88 2aro s ARG 77 Ca 0.21 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.98 2aro s ARG 77 Cb 0.15 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 2aro s ARG 77 CO 0.22 -0.22 1.43 0.42 -0.81 0.00 0.00 175.30 176.33 2aro s ILE 78 N 1.64 3.94 0.38 4.11 1.01 -1.26 -4.95 121.20 126.06 2aro s ILE 78 Ca -0.04 1.17 0.08 0.00 0.00 0.00 0.00 60.65 61.85 2aro s ILE 78 Cb -0.12 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2aro s ILE 78 CO -0.06 -0.09 0.24 0.27 0.00 0.00 0.00 174.94 175.31 2aro s ILE 79 N 3.51 2.80 0.32 2.92 -4.36 -1.26 -5.02 121.20 120.11 2aro s ILE 79 Ca 0.63 -1.54 0.09 0.00 -0.26 0.00 0.00 60.65 59.57 2aro s ILE 79 Cb -0.28 -3.02 0.32 0.00 1.25 0.00 0.00 42.46 40.73 2aro s ILE 79 CO 0.22 -0.08 1.75 -0.65 0.24 0.00 0.00 174.94 176.42 2aro h PRO 80 N 1.32 0.62 -0.70 0.37 0.11 -1.89 -0.58 132.00 131.24 2aro h PRO 80 Ca -0.43 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.78 2aro h PRO 80 Cb 1.26 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 2aro h PRO 80 CO 0.62 0.41 0.21 -0.09 -0.21 0.00 0.00 178.00 178.94 2aro h ARG 81 N 0.63 0.32 -0.39 1.05 9.65 -1.80 -0.83 114.38 123.01 2aro h ARG 81 Ca 0.61 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 59.39 2aro h ARG 81 Cb 1.12 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.61 2aro h ARG 81 CO -0.42 0.21 -0.10 0.45 2.80 0.00 0.00 179.97 182.91 2aro h HIS 82 N 0.33 0.74 -0.51 2.20 3.86 -1.44 0.19 115.15 120.51 2aro h HIS 82 Ca 0.39 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2aro h HIS 82 Cb 0.61 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2aro h HIS 82 CO -0.22 0.76 0.19 -0.07 0.86 0.00 0.00 177.93 179.45 2aro h LEU 83 N 0.63 0.71 -0.21 2.43 3.38 -1.29 0.95 115.31 121.91 2aro h LEU 83 Ca 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2aro h LEU 83 Cb 0.54 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2aro h LEU 83 CO 0.03 0.70 0.09 -0.61 0.09 0.00 0.00 178.44 178.74 2aro h GLN 84 N 0.69 0.32 -0.23 1.13 5.75 -0.87 0.09 115.11 121.99 2aro h GLN 84 Ca 0.17 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2aro h GLN 84 Cb 0.21 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2aro h GLN 84 CO -0.01 0.37 0.13 -0.07 -2.65 0.00 0.00 178.83 176.60 2aro h LEU 85 N 0.20 0.29 -0.54 -2.39 3.38 -0.82 -1.04 115.31 114.39 2aro h LEU 85 Ca 0.07 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2aro h LEU 85 Cb 0.17 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 2aro h LEU 85 CO -0.01 0.29 -0.44 0.00 0.09 0.00 0.00 178.44 178.37 2aro h ALA 86 N 1.01 -0.38 -0.14 1.53 0.00 -0.72 -1.95 119.26 118.62 2aro h ALA 86 Ca 0.08 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2aro h ALA 86 Cb 0.07 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2aro h ALA 86 CO -0.01 -0.85 -0.06 0.82 0.00 0.00 0.00 179.25 179.15 2aro h ILE 87 N -0.25 1.31 0.00 0.00 2.04 -0.74 -3.14 117.51 116.72 2aro h ILE 87 Ca 0.16 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 2aro h ILE 87 Cb 0.57 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2aro h ILE 87 CO -0.66 0.31 -0.46 0.03 0.00 0.00 0.00 178.15 177.36 2aro h ARG 88 N -0.04 0.00 -0.00 2.37 -0.00 -1.18 -2.50 114.38 113.03 2aro h ARG 88 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2aro h ARG 88 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.48 2aro h ARG 88 CO 0.02 0.46 -0.07 0.09 0.00 0.00 0.00 179.97 180.48 2aro n ASN 89 N -3.76 0.22 -4.37 7.04 5.03 -0.73 -4.76 115.26 113.92 2aro n ASN 89 Ca -0.01 -0.31 -0.37 0.00 0.87 0.00 0.00 54.58 54.76 2aro n ASN 89 Cb 0.52 -0.18 -0.13 0.00 -1.02 0.00 0.00 39.78 38.97 2aro n ASN 89 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2aro s ASP 90 N -2.56 5.03 0.26 6.41 2.15 -0.96 -5.01 116.67 122.00 2aro s ASP 90 Ca 0.28 -0.52 -0.01 0.00 0.43 0.00 0.00 52.55 52.73 2aro s ASP 90 Cb 0.20 -1.88 0.56 0.00 -0.30 0.00 0.00 42.92 41.50 2aro s ASP 90 CO 0.48 -0.12 1.73 -0.08 -0.17 0.00 0.00 175.17 177.00 2aro h GLU 91 N 8.22 0.47 0.25 4.34 4.81 -1.86 0.82 114.58 131.63 2aro h GLU 91 Ca -0.35 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.51 2aro h GLU 91 Cb 1.15 -0.11 0.04 0.00 0.63 0.00 0.00 28.75 30.46 2aro h GLU 91 CO 0.60 0.31 -1.53 0.93 -0.73 0.00 0.00 179.01 178.59 2aro h GLU 92 N 0.48 0.53 -0.31 1.92 5.08 -1.95 -2.76 114.58 117.57 2aro h GLU 92 Ca 0.47 -0.90 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 2aro h GLU 92 Cb 0.76 0.34 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2aro h GLU 92 CO -0.43 1.43 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.49 2aro h LEU 93 N 0.14 0.86 -0.52 1.33 3.38 -1.75 -0.37 115.31 118.38 2aro h LEU 93 Ca -0.27 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.33 2aro h LEU 93 Cb 2.17 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 2aro h LEU 93 CO 0.27 1.18 0.27 -1.13 0.09 0.00 0.00 178.44 179.11 2aro h ASN 94 N 0.64 0.40 0.32 -0.43 -0.73 -0.61 0.12 115.58 115.29 2aro h ASN 94 Ca 0.04 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 2aro h ASN 94 Cb 1.02 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.56 2aro h ASN 94 CO 0.10 0.28 -0.15 0.50 -0.37 0.00 0.00 177.43 177.78 2aro h LYS 95 N 0.53 -0.41 -0.86 6.67 3.64 -1.20 -2.32 116.57 122.62 2aro h LYS 95 Ca 0.23 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.85 2aro h LYS 95 Cb 0.12 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 31.88 2aro h LYS 95 CO -0.15 -0.14 0.08 1.25 -2.27 0.00 0.00 179.45 178.22 2aro h LEU 96 N -0.64 -0.28 -3.88 5.20 5.85 -0.94 -2.48 115.31 118.14 2aro h LEU 96 Ca -0.04 0.22 -0.46 0.00 0.84 0.00 0.00 57.88 58.44 2aro h LEU 96 Cb 0.46 0.36 -0.27 0.00 0.37 0.00 0.00 40.66 41.57 2aro h LEU 96 CO 0.07 -0.22 0.52 0.18 -0.34 0.00 0.00 178.44 178.66 2aro n LEU 97 N -5.35 6.28 0.21 2.25 4.77 0.40 -4.72 117.00 120.84 2aro n LEU 97 Ca 0.19 -3.65 0.06 0.00 -0.03 0.00 0.00 56.01 52.57 2aro n LEU 97 Cb 0.61 -0.80 0.47 0.00 -2.33 0.00 0.00 43.42 41.37 2aro n LEU 97 CO 0.02 1.10 0.81 1.23 -1.33 0.00 0.00 177.39 179.21 2aro h GLY 98 N 1.01 0.00 -3.14 -0.72 0.00 -0.93 -1.47 103.07 97.82 2aro h GLY 98 Ca 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 2aro h GLY 98 CO 0.98 0.00 0.02 0.28 0.00 0.00 0.00 176.54 177.83 2aro n LYS 99 N -3.92 4.38 -4.05 4.80 5.02 -1.26 -4.97 118.16 118.16 2aro n LYS 99 Ca -0.02 -3.10 -0.36 0.00 -2.02 0.00 0.00 58.31 52.81 2aro n LYS 99 Cb 0.36 -2.18 -0.08 0.00 -0.02 0.00 0.00 35.03 33.11 2aro n LYS 99 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2aro s VAL 100 N -2.81 5.04 -0.22 -0.18 1.01 -0.56 -5.09 120.40 117.59 2aro s VAL 100 Ca 0.52 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 2aro s VAL 100 Cb 0.40 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2aro s VAL 100 CO 0.14 0.59 0.06 -0.89 0.00 0.00 0.00 175.10 175.01 2aro s THR 101 N -0.80 4.50 -0.34 3.92 2.01 -1.26 -5.08 115.64 118.59 2aro s THR 101 Ca 0.13 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 2aro s THR 101 Cb -0.12 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 2aro s THR 101 CO 0.03 0.40 0.64 -0.63 -0.69 0.00 0.00 174.62 174.37 2aro s ILE 102 N 1.02 4.90 0.29 1.82 -1.09 -1.26 -5.03 121.20 121.85 2aro s ILE 102 Ca 0.04 0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 2aro s ILE 102 Cb -0.14 -4.06 -0.12 0.00 -1.58 0.00 0.00 42.46 36.57 2aro s ILE 102 CO 0.03 -0.26 1.62 0.00 -1.23 0.00 0.00 174.94 175.10 2aro n ALA 103 N 6.01 2.66 -2.11 9.38 0.00 -1.26 -1.78 120.51 133.41 2aro n ALA 103 Ca -0.01 0.37 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 2aro n ALA 103 Cb 0.49 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 2aro n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2aro n GLN 104 N 2.28 -1.47 0.02 0.00 1.13 -1.26 -4.85 117.38 113.23 2aro n GLN 104 Ca 0.09 1.01 0.00 0.00 -1.94 0.00 0.00 57.00 56.16 2aro n GLN 104 Cb 0.37 -5.50 -0.09 0.00 0.11 0.00 0.00 30.24 25.13 2aro n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aro n GLY 105 N -0.89 -1.18 7.00 1.08 0.00 -0.73 -3.55 105.19 106.92 2aro n GLY 105 Ca -0.22 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2aro n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aro n GLY 106 N 1.40 0.82 3.47 -0.02 0.00 -1.26 -4.57 105.19 105.04 2aro n GLY 106 Ca -0.10 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 2aro n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aro s VAL 107 N 0.00 1.38 0.19 1.61 -7.23 -1.26 -5.00 120.40 110.09 2aro s VAL 107 Ca 0.00 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 2aro s VAL 107 Cb 0.00 -2.77 -0.08 0.00 0.56 0.00 0.00 36.38 34.09 2aro s VAL 107 CO 0.00 -0.05 1.29 -0.76 -0.31 0.00 0.00 175.10 175.27 2aro s LEU 108 N -3.51 4.42 0.04 1.32 1.43 -1.26 -4.96 118.68 116.16 2aro s LEU 108 Ca 0.35 2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 55.51 2aro s LEU 108 Cb 0.08 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.61 2aro s LEU 108 CO 0.15 -0.50 1.91 -2.84 0.23 0.00 0.00 176.35 175.30 2aro s PRO 109 N -0.07 4.15 -0.30 1.29 0.02 -1.26 -4.91 135.00 133.92 2aro s PRO 109 Ca 0.56 2.56 -0.14 0.00 0.02 0.00 0.00 61.00 64.00 2aro s PRO 109 Cb -0.36 -4.04 0.17 0.00 0.02 0.00 0.00 34.50 30.29 2aro s PRO 109 CO 0.37 -0.92 1.01 1.21 -0.33 0.00 0.00 177.00 178.34 2aro s ASN 110 N 4.01 -0.54 -0.07 2.53 2.47 -1.26 -5.15 114.94 116.92 2aro s ASN 110 Ca 0.85 0.63 0.02 0.00 0.42 0.00 0.00 52.86 54.79 2aro s ASN 110 Cb -0.42 1.57 -0.02 0.00 -1.45 0.00 0.00 41.25 40.93 2aro s ASN 110 CO 0.39 -0.10 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.90 2aro s ILE 111 N 2.54 3.08 0.19 -5.21 1.01 -1.26 -5.09 121.20 116.46 2aro s ILE 111 Ca -0.01 -0.70 -0.33 0.00 0.00 0.00 0.00 60.65 59.62 2aro s ILE 111 Cb -0.07 -2.23 -0.13 0.00 0.01 0.00 0.00 42.46 40.04 2aro s ILE 111 CO -0.16 0.57 1.67 0.00 0.00 0.00 0.00 174.94 177.02 2aro n GLN 112 N 2.65 2.55 -0.25 2.79 1.13 -1.26 -4.92 117.38 120.08 2aro n GLN 112 Ca -0.17 0.92 0.06 0.00 -1.94 0.00 0.00 57.00 55.87 2aro n GLN 112 Cb 0.52 -2.74 0.31 0.00 0.11 0.00 0.00 30.24 28.44 2aro n GLN 112 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aro h ALA 113 N 6.50 1.64 -0.29 -1.58 0.00 -1.98 -1.06 119.26 122.48 2aro h ALA 113 Ca -0.44 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.54 2aro h ALA 113 Cb 1.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2aro h ALA 113 CO 0.93 0.21 0.28 0.28 0.00 0.00 0.00 179.25 180.95 2aro h VAL 114 N 0.86 0.53 0.00 0.00 2.07 -2.01 -2.20 116.25 115.49 2aro h VAL 114 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 2aro h VAL 114 Cb 0.31 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2aro h VAL 114 CO -0.14 0.00 -0.32 0.18 0.02 0.00 0.00 177.57 177.31 2aro n LEU 115 N -3.93 0.66 -4.81 2.57 4.77 -0.40 -4.88 117.00 110.98 2aro n LEU 115 Ca 0.04 0.37 -0.38 0.00 -0.03 0.00 0.00 56.01 56.00 2aro n LEU 115 Cb 0.43 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2aro n LEU 115 CO 0.30 -0.08 0.22 -0.76 -1.33 0.00 0.00 177.39 175.73 2aro s LEU 116 N -4.13 4.49 0.27 2.23 1.43 -0.83 -5.06 118.68 117.08 2aro s LEU 116 Ca 0.09 1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 54.03 2aro s LEU 116 Cb 0.14 -2.79 -0.14 0.00 0.03 0.00 0.00 46.19 43.43 2aro s LEU 116 CO 0.65 0.26 1.21 -0.81 0.23 0.00 0.00 176.35 177.89 2aro n PRO 117 N 1.96 1.68 0.00 1.29 -0.04 -1.26 -5.04 135.00 133.58 2aro n PRO 117 Ca -0.11 0.59 0.04 0.00 -0.04 0.00 0.00 63.50 63.99 2aro n PRO 117 Cb 0.51 -2.11 0.25 0.00 -0.04 0.00 0.00 33.50 32.11 2aro n PRO 117 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82