#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aro n LYS 15 N 0.00 0.04 -1.27 0.00 3.00 -1.26 -4.79 118.16 113.88 2aro n LYS 15 Ca 0.00 0.02 -0.31 0.00 -0.00 0.00 0.00 58.31 58.01 2aro n LYS 15 Cb 0.00 -0.38 0.09 0.00 0.00 0.00 0.00 35.03 34.74 2aro n LYS 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2aro s SER 16 N -5.50 4.50 0.43 3.14 1.04 -1.26 -4.86 113.70 111.20 2aro s SER 16 Ca -0.02 1.84 0.13 0.00 0.48 0.00 0.00 55.95 58.38 2aro s SER 16 Cb 0.00 -2.52 1.00 0.00 0.10 0.00 0.00 66.02 64.60 2aro s SER 16 CO 0.03 -2.04 2.00 0.03 0.98 0.00 0.00 173.24 174.25 2aro h ARG 17 N -1.08 0.41 -0.23 4.02 3.08 -1.99 -0.95 114.38 117.64 2aro h ARG 17 Ca -0.44 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.53 2aro h ARG 17 Cb 1.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2aro h ARG 17 CO 0.51 0.27 -0.10 0.77 -1.07 0.00 0.00 179.97 180.35 2aro h SER 18 N 0.42 0.49 -0.08 7.04 0.02 -1.86 -2.78 113.55 116.80 2aro h SER 18 Ca 0.24 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2aro h SER 18 Cb 0.40 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2aro h SER 18 CO -0.06 0.78 0.05 -1.28 -1.14 0.00 0.00 176.83 175.18 2aro h SER 19 N 0.19 0.09 -0.85 3.07 0.87 -1.59 0.16 113.55 115.49 2aro h SER 19 Ca 0.05 -0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.78 2aro h SER 19 Cb 0.59 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 2aro h SER 19 CO 0.03 0.07 0.56 0.03 -0.53 0.00 0.00 176.83 176.99 2aro h ARG 20 N 0.11 0.49 -0.00 2.24 3.08 -1.22 -1.86 114.38 117.23 2aro h ARG 20 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2aro h ARG 20 Cb -0.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2aro h ARG 20 CO -0.01 0.33 -0.15 0.00 -1.07 0.00 0.00 179.97 179.06 2aro n ALA 21 N -2.49 2.78 -1.70 0.04 0.00 -0.59 -4.89 120.51 113.65 2aro n ALA 21 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 2aro n ALA 21 Cb 0.57 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.40 0.37 3.49 0.00 0.00 -0.69 -5.06 105.19 104.71 2aro n GLY 22 Ca 0.10 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.59 2.70 -0.10 0.99 1.43 0.46 -5.01 118.68 118.57 2aro s LEU 23 Ca 0.00 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.30 2aro s LEU 23 Cb 0.00 -1.49 -0.27 0.00 0.03 0.00 0.00 46.19 44.46 2aro s LEU 23 CO 0.00 0.15 0.58 -0.61 0.23 0.00 0.00 176.35 176.70 2aro h GLN 24 N 3.42 0.24 -7.02 1.70 5.75 -1.96 -3.36 115.11 113.89 2aro h GLN 24 Ca -0.48 -0.42 -0.53 0.00 -0.15 0.00 0.00 58.65 57.07 2aro h GLN 24 Cb 1.19 0.15 0.10 0.00 1.07 0.00 0.00 27.48 29.99 2aro h GLN 24 CO 0.48 1.20 0.55 -0.06 -2.65 0.00 0.00 178.83 178.35 2aro s PHE 25 N -2.47 2.59 -0.60 3.99 2.99 -1.26 -4.92 117.98 118.30 2aro s PHE 25 Ca -0.19 1.45 -0.27 0.00 0.00 0.00 0.00 56.93 57.91 2aro s PHE 25 Cb 0.04 -3.60 0.03 0.00 0.00 0.00 0.00 43.02 39.50 2aro s PHE 25 CO 0.77 -2.20 1.16 -1.25 -0.00 0.00 0.00 175.22 173.70 2aro s PRO 26 N -2.77 3.43 0.07 0.24 0.04 -1.26 -4.77 135.00 129.98 2aro s PRO 26 Ca 0.67 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 61.57 2aro s PRO 26 Cb -0.35 -4.05 -0.11 0.00 0.04 0.00 0.00 34.50 30.04 2aro s PRO 26 CO 0.42 -1.72 1.55 0.28 0.04 0.00 0.00 177.00 177.57 2aro h VAL 27 N 6.11 1.21 -0.36 -0.36 2.07 -1.89 -1.52 116.25 121.51 2aro h VAL 27 Ca -0.26 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.61 2aro h VAL 27 Cb 1.06 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2aro h VAL 27 CO 1.18 0.21 0.17 1.23 0.02 0.00 0.00 177.57 180.38 2aro h GLY 28 N 0.08 0.48 1.00 2.17 0.00 -1.93 -0.94 103.07 103.93 2aro h GLY 28 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2aro h GLY 28 CO 0.00 0.08 0.36 -0.09 0.00 0.00 0.00 176.54 176.89 2aro h ARG 29 N 0.35 0.80 -0.63 4.80 1.12 -1.98 -1.71 114.38 117.13 2aro h ARG 29 Ca 0.16 -0.07 0.01 0.00 -1.11 0.00 0.00 59.98 58.96 2aro h ARG 29 Cb 0.08 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 29.84 2aro h ARG 29 CO -0.12 0.57 0.42 0.28 -3.11 0.00 0.00 179.97 178.01 2aro h VAL 30 N 0.80 1.16 -0.45 0.20 2.07 -0.76 -0.76 116.25 118.51 2aro h VAL 30 Ca 0.21 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2aro h VAL 30 Cb -0.03 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 2aro h VAL 30 CO -0.04 0.16 0.20 -0.74 0.02 0.00 0.00 177.57 177.17 2aro h HIS 31 N 0.86 0.37 -0.16 1.57 -0.00 -0.98 -0.02 115.15 116.78 2aro h HIS 31 Ca 0.23 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 2aro h HIS 31 Cb -0.10 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 2aro h HIS 31 CO -0.03 0.17 0.11 -0.09 -0.00 0.00 0.00 177.93 178.09 2aro h ARG 32 N 0.41 0.22 -0.48 5.26 9.65 -0.96 -1.25 114.38 127.23 2aro h ARG 32 Ca 0.20 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.03 2aro h ARG 32 Cb 0.14 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 2aro h ARG 32 CO -0.17 0.16 0.16 -0.07 2.80 0.00 0.00 179.97 182.85 2aro h LEU 33 N 0.21 0.64 -0.34 3.80 3.38 -0.89 0.45 115.31 122.57 2aro h LEU 33 Ca 0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2aro h LEU 33 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2aro h LEU 33 CO -0.01 0.61 -0.06 -0.07 0.09 0.00 0.00 178.44 179.00 2aro h LEU 34 N 0.69 0.64 -0.47 1.67 3.38 -0.79 -2.45 115.31 117.98 2aro h LEU 34 Ca 0.16 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2aro h LEU 34 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2aro h LEU 34 CO -0.01 0.84 0.25 0.03 0.09 0.00 0.00 178.44 179.64 2aro h ARG 35 N 0.43 0.47 0.00 1.13 3.08 -0.84 -3.10 114.38 115.55 2aro h ARG 35 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2aro h ARG 35 Cb 0.55 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2aro h ARG 35 CO 0.03 0.31 0.00 0.36 -1.07 0.00 0.00 179.97 179.60 2aro n LYS 36 N -4.88 0.05 -0.05 0.04 2.85 0.11 -4.13 118.16 112.15 2aro n LYS 36 Ca 0.03 0.13 0.10 0.00 -1.05 0.00 0.00 58.31 57.52 2aro n LYS 36 Cb 0.11 -1.57 0.42 0.00 -0.65 0.00 0.00 35.03 33.34 2aro n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2aro n GLY 37 N 0.94 -0.21 2.54 2.58 0.00 -0.93 -4.93 105.19 105.18 2aro n GLY 37 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 2aro n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aro n ASN 38 N -0.10 -3.17 -0.09 1.61 5.03 -1.26 -4.94 115.26 112.34 2aro n ASN 38 Ca 0.15 -0.34 -0.17 0.00 0.87 0.00 0.00 54.58 55.09 2aro n ASN 38 Cb 0.22 -3.14 -0.07 0.00 -1.02 0.00 0.00 39.78 35.77 2aro n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2aro n TYR 39 N -3.33 0.00 -4.00 3.10 0.53 -1.26 -5.07 117.16 107.13 2aro n TYR 39 Ca -0.09 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.70 2aro n TYR 39 Cb 0.57 -0.62 -0.05 0.00 -1.03 0.00 0.00 39.34 38.21 2aro n TYR 39 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2aro s ALA 40 N -2.32 -0.16 0.13 -0.72 0.00 -1.26 -5.05 121.76 112.37 2aro s ALA 40 Ca -0.24 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 2aro s ALA 40 Cb 0.08 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 2aro s ALA 40 CO 0.32 -0.86 1.74 0.93 0.00 0.00 0.00 175.76 177.89 2aro h GLU 41 N 2.22 0.40 -6.37 0.00 5.08 -1.99 -3.45 114.58 110.48 2aro h GLU 41 Ca -0.26 -0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.45 2aro h GLU 41 Cb 1.25 -0.08 -0.20 0.00 0.50 0.00 0.00 28.75 30.22 2aro h GLU 41 CO 0.36 0.34 -0.82 0.50 -1.00 0.00 0.00 179.01 178.38 2aro s ARG 42 N -5.91 1.31 -0.18 2.33 3.52 -1.26 -5.10 118.95 113.67 2aro s ARG 42 Ca -0.13 -1.35 -0.00 0.00 -0.13 0.00 0.00 55.73 54.11 2aro s ARG 42 Cb 0.09 -1.59 0.04 0.00 -1.56 0.00 0.00 34.95 31.94 2aro s ARG 42 CO 0.71 0.35 -0.06 0.08 -0.81 0.00 0.00 175.30 175.58 2aro s VAL 43 N -1.49 1.21 0.95 7.11 1.01 -1.26 -5.08 120.40 122.85 2aro s VAL 43 Ca 0.14 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2aro s VAL 43 Cb -0.08 -1.38 0.16 0.00 0.00 0.00 0.00 36.38 35.07 2aro s VAL 43 CO 0.07 0.11 1.09 -0.83 0.00 0.00 0.00 175.10 175.53 2aro s GLY 44 N 1.58 1.60 0.35 4.51 0.00 -1.26 -4.95 107.32 109.15 2aro s GLY 44 Ca -0.00 -0.17 0.15 0.00 0.00 0.00 0.00 44.72 44.70 2aro s GLY 44 CO -0.08 0.38 1.75 0.00 0.00 0.00 0.00 173.10 175.15 2aro h ALA 45 N -1.74 1.12 -0.12 3.20 0.00 -2.04 -3.03 119.26 116.65 2aro h ALA 45 Ca -0.52 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 53.85 2aro h ALA 45 Cb 1.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2aro h ALA 45 CO 0.55 0.54 -0.58 0.78 0.00 0.00 0.00 179.25 180.54 2aro h GLY 46 N 1.65 0.43 0.42 0.00 0.00 -2.01 -3.36 103.07 100.20 2aro h GLY 46 Ca -0.00 -0.52 0.04 0.00 0.00 0.00 0.00 47.33 46.85 2aro h GLY 46 CO 0.06 0.46 -0.18 0.00 0.00 0.00 0.00 176.54 176.88 2aro h ALA 47 N 1.08 -0.11 0.00 3.60 0.00 -1.91 -2.05 119.26 119.86 2aro h ALA 47 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2aro h ALA 47 Cb 1.10 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2aro h ALA 47 CO 0.10 -0.63 -0.29 -1.00 0.00 0.00 0.00 179.25 177.42 2aro h PRO 48 N -0.22 0.00 -0.19 0.00 0.13 -1.75 -0.29 132.00 129.68 2aro h PRO 48 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 2aro h PRO 48 Cb 0.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2aro h PRO 48 CO -0.26 0.29 0.03 0.28 -0.23 0.00 0.00 178.00 178.12 2aro h VAL 49 N 0.00 1.22 -0.16 1.56 2.07 -1.60 -0.88 116.25 118.46 2aro h VAL 49 Ca -0.00 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2aro h VAL 49 Cb 0.60 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2aro h VAL 49 CO 0.04 0.22 -0.12 0.22 0.02 0.00 0.00 177.57 177.95 2aro h TYR 50 N 0.11 0.44 -0.18 1.57 3.20 -1.11 -2.00 116.97 118.99 2aro h TYR 50 Ca 0.06 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2aro h TYR 50 Cb 0.31 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2aro h TYR 50 CO 0.02 0.72 0.08 1.25 -1.64 0.00 0.00 178.16 178.59 2aro h LEU 51 N 0.03 0.11 -1.03 2.82 5.85 -1.10 -2.20 115.31 119.79 2aro h LEU 51 Ca 0.03 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2aro h LEU 51 Cb 0.63 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 2aro h LEU 51 CO 0.03 0.09 0.64 0.00 -0.34 0.00 0.00 178.44 178.86 2aro h ALA 52 N 1.10 1.45 -0.36 1.25 0.00 -1.16 -1.21 119.26 120.33 2aro h ALA 52 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2aro h ALA 52 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2aro h ALA 52 CO -0.06 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.44 2aro h ALA 53 N 1.48 1.11 -0.03 0.00 0.00 -0.97 -0.13 119.26 120.73 2aro h ALA 53 Ca 0.44 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2aro h ALA 53 Cb 0.25 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.91 2aro h ALA 53 CO -0.19 0.55 -0.84 0.28 0.00 0.00 0.00 179.25 179.05 2aro h VAL 54 N 0.58 1.33 -0.44 0.00 2.07 -0.95 -0.64 116.25 118.19 2aro h VAL 54 Ca 0.10 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.50 2aro h VAL 54 Cb 0.55 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 2aro h VAL 54 CO 0.03 0.65 0.28 -0.07 0.02 0.00 0.00 177.57 178.48 2aro h LEU 55 N 0.25 0.52 -0.73 2.57 3.38 -1.16 -0.25 115.31 119.89 2aro h LEU 55 Ca -0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2aro h LEU 55 Cb 1.50 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 2aro h LEU 55 CO 0.17 0.40 0.34 -0.08 0.09 0.00 0.00 178.44 179.35 2aro h GLU 56 N 0.60 1.06 -0.38 1.13 4.81 -0.99 -1.84 114.58 118.98 2aro h GLU 56 Ca 0.16 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2aro h GLU 56 Cb -0.04 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2aro h GLU 56 CO -0.03 0.84 0.07 -0.92 -0.73 0.00 0.00 179.01 178.24 2aro h TYR 57 N 1.03 0.66 -0.28 0.92 3.20 -0.56 -2.24 116.97 119.69 2aro h TYR 57 Ca 0.25 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 2aro h TYR 57 Cb 0.14 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2aro h TYR 57 CO 0.01 0.66 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.73 2aro h LEU 58 N 0.47 0.71 -0.36 2.82 3.38 -0.98 -0.80 115.31 120.54 2aro h LEU 58 Ca 0.12 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2aro h LEU 58 Cb 0.35 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2aro h LEU 58 CO 0.01 1.02 0.13 0.74 0.09 0.00 0.00 178.44 180.42 2aro h THR 59 N 0.55 0.89 -0.80 0.22 2.02 -1.28 -2.26 112.91 112.25 2aro h THR 59 Ca 0.05 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2aro h THR 59 Cb 0.92 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2aro h THR 59 CO 0.08 0.05 0.35 0.00 0.37 0.00 0.00 175.52 176.38 2aro h ALA 60 N 1.23 1.04 -0.19 6.16 0.00 -1.01 -0.23 119.26 126.27 2aro h ALA 60 Ca 0.17 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2aro h ALA 60 Cb 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2aro h ALA 60 CO -0.17 0.63 -0.06 0.93 0.00 0.00 0.00 179.25 180.58 2aro h GLU 61 N 1.15 -0.03 -0.15 0.00 4.39 -0.87 0.90 114.58 119.97 2aro h GLU 61 Ca 0.27 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.80 2aro h GLU 61 Cb 0.17 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2aro h GLU 61 CO -0.03 -0.02 -0.62 0.97 -1.16 0.00 0.00 179.01 178.15 2aro h ILE 62 N -0.03 1.33 -0.32 3.13 2.10 -1.00 -2.31 117.51 120.41 2aro h ILE 62 Ca 0.10 -1.91 -0.05 0.00 1.08 0.00 0.00 64.86 64.08 2aro h ILE 62 Cb 0.17 1.89 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 2aro h ILE 62 CO -0.21 0.59 0.02 -0.07 -1.08 0.00 0.00 178.15 177.41 2aro h LEU 63 N 0.40 0.53 -0.43 2.19 3.38 -0.97 0.25 115.31 120.67 2aro h LEU 63 Ca -0.01 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2aro h LEU 63 Cb 1.19 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2aro h LEU 63 CO 0.12 0.69 -0.36 -0.08 0.09 0.00 0.00 178.44 178.89 2aro h GLU 64 N 0.36 -0.26 -0.16 1.13 4.57 -0.73 0.42 114.58 119.92 2aro h GLU 64 Ca 0.09 0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.14 2aro h GLU 64 Cb 0.40 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2aro h GLU 64 CO 0.01 -0.17 -0.54 -0.07 -1.18 0.00 0.00 179.01 177.06 2aro h LEU 65 N -0.27 0.52 -0.06 1.64 3.38 -1.26 -1.00 115.31 118.26 2aro h LEU 65 Ca 0.17 -0.27 -0.22 0.00 0.09 0.00 0.00 57.88 57.64 2aro h LEU 65 Cb 0.56 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2aro h LEU 65 CO -0.57 0.96 -0.83 0.00 0.09 0.00 0.00 178.44 178.08 2aro h ALA 66 N 1.05 0.19 -0.53 1.53 0.00 -0.34 -1.16 119.26 119.99 2aro h ALA 66 Ca 0.01 -0.63 0.09 0.00 0.00 0.00 0.00 54.91 54.38 2aro h ALA 66 Cb 1.07 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2aro h ALA 66 CO 0.10 0.60 0.12 0.78 0.00 0.00 0.00 179.25 180.85 2aro h GLY 67 N 0.34 0.67 0.92 0.00 0.00 -0.88 0.11 103.07 104.23 2aro h GLY 67 Ca -0.09 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2aro h GLY 67 CO 0.17 -0.07 0.13 3.43 0.00 0.00 0.00 176.54 180.20 2aro h ASN 68 N 0.26 0.21 -0.71 0.19 -0.26 -0.99 -1.30 115.58 112.97 2aro h ASN 68 Ca 0.27 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 56.06 2aro h ASN 68 Cb 0.36 -0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.53 2aro h ASN 68 CO -0.34 0.16 0.43 0.00 -1.06 0.00 0.00 177.43 176.62 2aro h ALA 69 N 1.11 0.96 0.18 -0.83 0.00 -0.71 -0.58 119.26 119.39 2aro h ALA 69 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2aro h ALA 69 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2aro h ALA 69 CO -0.05 0.15 -0.42 0.00 0.00 0.00 0.00 179.25 178.93 2aro h ALA 70 N 1.34 -0.79 -0.92 0.00 0.00 -0.57 -2.91 119.26 115.43 2aro h ALA 70 Ca 0.31 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2aro h ALA 70 Cb 0.12 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2aro h ALA 70 CO -0.15 -1.00 0.60 0.00 0.00 0.00 0.00 179.25 178.69 2aro h ARG 71 N -0.70 1.03 -0.25 0.00 3.08 -0.96 -1.06 114.38 115.53 2aro h ARG 71 Ca 0.01 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.07 2aro h ARG 71 Cb 0.70 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2aro h ARG 71 CO -0.21 0.68 0.22 -0.44 -1.07 0.00 0.00 179.97 179.16 2aro h ASP 72 N 1.07 0.00 -0.36 7.04 3.45 -0.99 -2.17 116.42 124.46 2aro h ASP 72 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.85 2aro h ASP 72 Cb 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2aro h ASP 72 CO -0.14 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.12 2aro n ASN 73 N -4.07 4.16 -2.25 6.45 3.02 -0.51 -4.96 115.26 117.10 2aro n ASN 73 Ca 0.03 -2.81 -0.19 0.00 -0.03 0.00 0.00 54.58 51.58 2aro n ASN 73 Cb 0.37 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 2aro n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2aro n LYS 74 N -0.03 -1.74 -3.41 3.52 4.76 -0.82 -5.01 118.16 115.43 2aro n LYS 74 Ca 0.22 0.95 -0.22 0.00 -2.87 0.00 0.00 58.31 56.39 2aro n LYS 74 Cb 0.88 -5.55 -0.01 0.00 -1.84 0.00 0.00 35.03 28.52 2aro n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2aro s LYS 75 N -4.78 3.28 0.00 1.97 -0.14 -0.55 -4.98 119.74 114.54 2aro s LYS 75 Ca 0.00 -0.61 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 2aro s LYS 75 Cb 0.00 -2.72 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 2aro s LYS 75 CO 0.00 0.08 0.58 0.25 -0.76 0.00 0.00 175.35 175.49 2aro n THR 76 N -1.76 0.32 -4.01 2.17 -2.24 -1.26 -3.62 114.28 103.88 2aro n THR 76 Ca -0.03 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.00 2aro n THR 76 Cb 0.57 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.32 1.31 0.07 -0.78 3.52 -1.26 -5.09 118.95 116.39 2aro s ARG 77 Ca 0.00 -0.19 -0.31 0.00 -0.13 0.00 0.00 55.73 55.10 2aro s ARG 77 Cb 0.00 -1.37 -0.06 0.00 -1.56 0.00 0.00 34.95 31.96 2aro s ARG 77 CO 0.00 -0.21 1.31 0.42 -0.81 0.00 0.00 175.30 176.01 2aro s ILE 78 N 1.52 3.69 0.37 4.11 1.01 -1.26 -4.94 121.20 125.71 2aro s ILE 78 Ca 0.00 1.19 0.08 0.00 0.00 0.00 0.00 60.65 61.93 2aro s ILE 78 Cb -0.13 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 2aro s ILE 78 CO -0.05 0.07 -0.03 0.27 0.00 0.00 0.00 174.94 175.21 2aro s ILE 79 N 1.34 2.20 0.28 2.92 -4.36 -1.26 -5.03 121.20 117.29 2aro s ILE 79 Ca 0.62 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 2aro s ILE 79 Cb -0.33 -2.82 0.28 0.00 1.25 0.00 0.00 42.46 40.84 2aro s ILE 79 CO 0.29 -0.11 1.69 -0.65 0.24 0.00 0.00 174.94 176.39 2aro h PRO 80 N 1.86 0.33 -0.91 0.37 0.11 -1.89 -0.84 132.00 131.03 2aro h PRO 80 Ca -0.43 -0.02 0.24 0.00 0.11 0.00 0.00 66.00 65.90 2aro h PRO 80 Cb 1.25 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 2aro h PRO 80 CO 0.74 0.22 0.06 -0.09 -0.21 0.00 0.00 178.00 178.72 2aro h ARG 81 N 0.34 0.06 -0.09 1.05 9.65 -1.78 0.88 114.38 124.49 2aro h ARG 81 Ca 0.52 -0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 59.22 2aro h ARG 81 Cb 0.97 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 2aro h ARG 81 CO -0.54 0.04 -0.69 0.45 2.80 0.00 0.00 179.97 182.03 2aro h HIS 82 N 0.06 0.55 -0.38 2.20 3.86 -1.49 -1.05 115.15 118.91 2aro h HIS 82 Ca 0.55 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 2aro h HIS 82 Cb 1.09 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.46 2aro h HIS 82 CO -0.44 0.98 0.17 -0.07 0.86 0.00 0.00 177.93 179.42 2aro h LEU 83 N 0.29 0.51 -0.05 2.43 3.38 -1.13 -0.88 115.31 119.86 2aro h LEU 83 Ca -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2aro h LEU 83 Cb 1.26 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2aro h LEU 83 CO 0.12 0.52 0.03 -0.61 0.09 0.00 0.00 178.44 178.59 2aro h GLN 84 N 0.47 0.07 -0.32 1.13 5.75 -0.56 -2.11 115.11 119.54 2aro h GLN 84 Ca 0.13 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2aro h GLN 84 Cb 0.15 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 2aro h GLN 84 CO -0.01 0.11 0.01 -0.07 -2.65 0.00 0.00 178.83 176.22 2aro h LEU 85 N 0.01 -0.10 -0.45 -2.39 3.38 -1.19 -0.16 115.31 114.41 2aro h LEU 85 Ca 0.02 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2aro h LEU 85 Cb 0.06 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2aro h LEU 85 CO -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 178.44 178.53 2aro h ALA 86 N 1.27 0.44 -0.06 1.53 0.00 -1.08 -0.98 119.26 120.38 2aro h ALA 86 Ca 0.15 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2aro h ALA 86 Cb 0.20 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2aro h ALA 86 CO -0.25 -0.38 -0.36 0.82 0.00 0.00 0.00 179.25 179.09 2aro h ILE 87 N 0.13 1.43 0.00 0.00 2.04 -1.11 -2.96 117.51 117.04 2aro h ILE 87 Ca 0.23 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 2aro h ILE 87 Cb 0.33 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2aro h ILE 87 CO -0.36 0.51 -0.24 0.03 0.00 0.00 0.00 178.15 178.09 2aro h ARG 88 N -0.15 0.00 -0.00 2.37 -0.00 -0.92 -2.54 114.38 113.14 2aro h ARG 88 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2aro h ARG 88 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.99 2aro h ARG 88 CO 0.07 0.24 -0.23 0.09 0.00 0.00 0.00 179.97 180.14 2aro n ASN 89 N -3.29 0.43 -4.36 7.04 5.03 -0.38 -4.78 115.26 114.95 2aro n ASN 89 Ca 0.01 -0.25 -0.38 0.00 0.87 0.00 0.00 54.58 54.83 2aro n ASN 89 Cb 0.50 -0.05 -0.12 0.00 -1.02 0.00 0.00 39.78 39.10 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 -2.77 5.36 0.25 6.41 3.68 -0.98 -4.99 116.67 123.62 2aro s ASP 90 Ca 0.19 -0.80 -0.04 0.00 2.13 0.00 0.00 52.55 54.03 2aro s ASP 90 Cb 0.19 -1.93 0.48 0.00 -1.45 0.00 0.00 42.92 40.21 2aro s ASP 90 CO 0.57 -0.25 1.71 -0.33 0.13 0.00 0.00 175.17 176.99 2aro h GLU 91 N 8.29 0.34 0.00 4.34 5.08 -1.86 0.68 114.58 131.46 2aro h GLU 91 Ca -0.29 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2aro h GLU 91 Cb 1.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2aro h GLU 91 CO 0.62 0.23 -0.00 0.93 -1.00 0.00 0.00 179.01 179.78 2aro h GLU 92 N 0.35 -0.01 -0.60 2.33 4.39 -1.94 -1.90 114.58 117.21 2aro h GLU 92 Ca 0.43 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.06 2aro h GLU 92 Cb 0.70 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2aro h GLU 92 CO -0.46 0.35 0.12 -0.07 -1.16 0.00 0.00 179.01 177.79 2aro h LEU 93 N -0.36 0.89 -1.05 1.33 3.38 -1.78 -1.28 115.31 116.43 2aro h LEU 93 Ca -0.00 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2aro h LEU 93 Cb 0.36 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2aro h LEU 93 CO 0.00 0.88 0.64 -1.13 0.09 0.00 0.00 178.44 178.92 2aro h ASN 94 N 0.90 1.04 -0.02 -0.43 -0.00 -0.63 0.12 115.58 116.56 2aro h ASN 94 Ca 0.19 -0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.47 2aro h ASN 94 Cb 0.36 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 2aro h ASN 94 CO 0.00 0.70 -0.05 0.11 -0.00 0.00 0.00 177.43 178.19 2aro h LYS 95 N 1.20 0.07 -0.71 6.67 1.57 -0.94 -2.61 116.57 121.81 2aro h LYS 95 Ca 0.40 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.28 2aro h LYS 95 Cb 0.06 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.27 2aro h LYS 95 CO -0.13 0.65 0.15 1.25 -0.57 0.00 0.00 179.45 180.79 2aro h LEU 96 N -0.50 -0.03 -3.87 2.94 5.85 -1.12 -3.01 115.31 115.57 2aro h LEU 96 Ca -0.00 0.15 -0.61 0.00 0.84 0.00 0.00 57.88 58.26 2aro h LEU 96 Cb 0.65 0.21 -0.34 0.00 0.37 0.00 0.00 40.66 41.54 2aro h LEU 96 CO 0.01 -0.05 0.13 0.18 -0.34 0.00 0.00 178.44 178.38 2aro n LEU 97 N -5.17 6.42 0.23 2.25 4.77 0.02 -4.73 117.00 120.78 2aro n LEU 97 Ca 0.13 -4.45 0.11 0.00 -0.03 0.00 0.00 56.01 51.77 2aro n LEU 97 Cb 0.44 -0.70 0.43 0.00 -2.33 0.00 0.00 43.42 41.26 2aro n LEU 97 CO 0.12 1.72 0.82 1.23 -1.33 0.00 0.00 177.39 179.95 2aro h GLY 98 N 2.02 0.00 -2.17 -0.72 0.00 -1.32 -2.64 103.07 98.24 2aro h GLY 98 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2aro h GLY 98 CO 1.20 0.00 0.00 0.28 0.00 0.00 0.00 176.54 178.02 2aro n LYS 99 N -3.26 3.47 -3.65 4.80 4.76 -1.26 -4.99 118.16 118.03 2aro n LYS 99 Ca 0.01 -2.84 -0.37 0.00 -2.87 0.00 0.00 58.31 52.23 2aro n LYS 99 Cb 0.44 -1.89 -0.06 0.00 -1.84 0.00 0.00 35.03 31.68 2aro n LYS 99 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2aro s VAL 100 N -2.52 5.23 -0.23 -0.18 1.01 -1.00 -5.08 120.40 117.63 2aro s VAL 100 Ca 0.44 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 2aro s VAL 100 Cb 0.33 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2aro s VAL 100 CO 0.13 0.58 0.01 -0.89 0.00 0.00 0.00 175.10 174.92 2aro s THR 101 N -0.93 3.80 -0.41 3.92 2.01 -1.26 -5.09 115.64 117.69 2aro s THR 101 Ca 0.20 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 2aro s THR 101 Cb -0.15 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.63 2aro s THR 101 CO 0.09 0.39 0.94 -0.63 -0.69 0.00 0.00 174.62 174.72 2aro s ILE 102 N 1.51 4.52 0.21 1.82 -1.09 -1.26 -5.03 121.20 121.87 2aro s ILE 102 Ca 0.06 1.03 -0.32 0.00 -2.23 0.00 0.00 60.65 59.19 2aro s ILE 102 Cb -0.15 -4.39 -0.12 0.00 -1.58 0.00 0.00 42.46 36.22 2aro s ILE 102 CO -0.00 -0.68 1.67 0.00 -1.23 0.00 0.00 174.94 174.70 2aro n ALA 103 N 6.99 2.46 -1.78 9.38 0.00 -1.26 -2.13 120.51 134.18 2aro n ALA 103 Ca 0.07 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.79 2aro n ALA 103 Cb 0.48 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 3.60 -0.92 0.02 0.00 1.13 -1.26 -4.85 117.38 115.10 2aro n GLN 104 Ca 0.15 0.78 -0.03 0.00 -1.94 0.00 0.00 57.00 55.96 2aro n GLN 104 Cb 0.34 -4.88 -0.10 0.00 0.11 0.00 0.00 30.24 25.71 2aro n GLN 104 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2aro h GLY 105 N 0.00 0.00 0.00 1.08 0.00 -1.70 -3.22 103.07 99.23 2aro h GLY 105 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2aro h GLY 105 CO 0.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.51 2aro n GLY 106 N 1.44 0.07 3.37 4.60 0.00 -1.26 -4.50 105.19 108.90 2aro n GLY 106 Ca -0.11 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 0.81 0.14 1.61 -7.23 -1.26 -5.03 120.40 109.43 2aro s VAL 107 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2aro s VAL 107 Cb 0.00 -2.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 2aro s VAL 107 CO 0.00 -0.00 1.24 -0.76 -0.31 0.00 0.00 175.10 175.27 2aro s LEU 108 N -3.38 4.41 -0.08 1.32 1.43 -1.26 -4.98 118.68 116.14 2aro s LEU 108 Ca 0.37 2.20 -0.31 0.00 -1.03 0.00 0.00 54.13 55.37 2aro s LEU 108 Cb 0.08 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 2aro s LEU 108 CO 0.14 -0.47 2.03 -2.65 0.23 0.00 0.00 176.35 175.63 2aro n PRO 109 N 3.21 2.39 -3.27 1.29 -0.02 -1.26 -4.90 135.00 132.45 2aro n PRO 109 Ca 0.07 0.83 0.03 0.00 -2.02 0.00 0.00 63.50 62.41 2aro n PRO 109 Cb 0.45 -2.95 -0.02 0.00 -0.02 0.00 0.00 33.50 30.95 2aro n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2aro s ASN 110 N 5.49 -0.92 -0.10 2.55 2.47 -1.26 -5.15 114.94 118.02 2aro s ASN 110 Ca 0.94 0.79 0.00 0.00 0.42 0.00 0.00 52.86 55.01 2aro s ASN 110 Cb -0.49 1.86 -0.02 0.00 -1.45 0.00 0.00 41.25 41.14 2aro s ASN 110 CO 0.43 -0.17 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.90 2aro s ILE 111 N 2.81 3.36 0.23 -5.21 1.01 -1.26 -5.09 121.20 117.05 2aro s ILE 111 Ca 0.06 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 2aro s ILE 111 Cb -0.11 -2.39 -0.10 0.00 0.01 0.00 0.00 42.46 39.87 2aro s ILE 111 CO -0.17 0.55 1.45 -1.10 0.00 0.00 0.00 174.94 175.67 2aro s GLN 112 N -0.21 4.27 0.27 2.79 -1.52 -1.26 -4.90 119.66 119.10 2aro s GLN 112 Ca 0.02 2.29 -0.01 0.00 -1.95 0.00 0.00 55.36 55.70 2aro s GLN 112 Cb -0.13 -3.13 0.53 0.00 -0.22 0.00 0.00 33.01 30.06 2aro s GLN 112 CO 0.03 -0.44 1.79 0.00 -0.25 0.00 0.00 175.29 176.42 2aro h ALA 113 N 5.40 1.34 0.00 6.09 0.00 -1.98 -0.86 119.26 129.26 2aro h ALA 113 Ca -0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2aro h ALA 113 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2aro h ALA 113 CO 0.80 0.02 0.09 -0.24 0.00 0.00 0.00 179.25 179.93 2aro h VAL 114 N 0.75 0.00 0.00 0.00 3.04 -2.02 -2.00 116.25 116.02 2aro h VAL 114 Ca 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.16 2aro h VAL 114 Cb 0.58 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2aro h VAL 114 CO -0.32 0.00 -0.63 0.18 -1.01 0.00 0.00 177.57 175.79 2aro n LEU 115 N -2.85 0.64 -4.80 3.16 4.77 -0.33 -4.91 117.00 112.68 2aro n LEU 115 Ca -0.02 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 2aro n LEU 115 Cb 0.15 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 2aro n LEU 115 CO 0.16 -0.01 0.69 -0.76 -1.33 0.00 0.00 177.39 176.14 2aro s LEU 116 N -3.96 4.00 0.00 2.23 1.43 -0.76 -5.08 118.68 116.54 2aro s LEU 116 Ca 0.07 1.85 0.16 0.00 -1.03 0.00 0.00 54.13 55.18 2aro s LEU 116 Cb 0.14 -4.41 0.97 0.00 0.03 0.00 0.00 46.19 42.91 2aro s LEU 116 CO 0.72 -0.49 1.38 -0.81 0.23 0.00 0.00 176.35 177.38