#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oul s PRO 7 N 0.00 3.56 0.14 -1.46 0.02 -1.26 -4.94 135.00 131.05 1oul s PRO 7 Ca 0.00 2.00 0.22 0.00 0.02 0.00 0.00 61.00 63.25 1oul s PRO 7 Cb 0.00 -2.40 -0.06 0.00 0.02 0.00 0.00 34.50 32.05 1oul s PRO 7 CO 0.00 -0.78 0.93 1.63 -0.33 0.00 0.00 177.00 178.45 1oul n LYS 8 N -0.59 0.58 -0.31 5.54 5.02 -1.26 -4.52 118.16 122.62 1oul n LYS 8 Ca 0.08 0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1oul n LYS 8 Cb 0.46 -1.74 0.27 0.00 -0.02 0.00 0.00 35.03 34.01 1oul n LYS 8 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1oul h ARG 9 N 0.00 0.10 -0.92 1.97 2.43 -1.93 -1.15 114.38 114.87 1oul h ARG 9 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1oul h ARG 9 Cb 0.97 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.45 1oul h ARG 9 CO 0.00 0.07 0.60 -1.35 -1.51 0.00 0.00 179.97 177.78 1oul h PRO 10 N 0.10 1.15 -0.18 0.20 0.11 -1.84 0.10 132.00 131.64 1oul h PRO 10 Ca 0.55 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 66.41 1oul h PRO 10 Cb 1.12 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1oul h PRO 10 CO -0.76 0.76 -0.64 1.88 -0.21 0.00 0.00 178.00 179.02 1oul h TYR 11 N 1.18 0.87 -0.43 0.65 -1.99 -1.53 -1.82 116.97 113.91 1oul h TYR 11 Ca 0.36 -0.34 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 1oul h TYR 11 Cb -0.03 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 1oul h TYR 11 CO -0.01 1.13 -0.21 1.25 -0.00 0.00 0.00 178.16 180.32 1oul h LEU 12 N 0.49 0.92 -0.17 3.88 6.46 -1.20 -0.83 115.31 124.86 1oul h LEU 12 Ca -0.01 -0.41 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1oul h LEU 12 Cb 1.23 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1oul h LEU 12 CO 0.13 1.13 0.08 0.25 -0.62 0.00 0.00 178.44 179.40 1oul h LEU 13 N 0.72 0.23 -1.32 2.25 6.46 -0.92 -0.99 115.31 121.75 1oul h LEU 13 Ca 0.09 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1oul h LEU 13 Cb 0.78 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1oul h LEU 13 CO 0.06 0.30 0.18 0.03 -0.62 0.00 0.00 178.44 178.40 1oul h ARG 14 N 0.15 0.65 -0.12 1.25 3.08 -1.27 0.09 114.38 118.21 1oul h ARG 14 Ca 0.06 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1oul h ARG 14 Cb 0.13 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1oul h ARG 14 CO -0.01 0.54 0.02 0.00 -1.07 0.00 0.00 179.97 179.45 1oul h ALA 15 N 1.56 0.16 -0.51 0.04 0.00 -0.76 -1.85 119.26 117.90 1oul h ALA 15 Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1oul h ALA 15 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1oul h ALA 15 CO -0.02 -0.20 -0.07 1.88 0.00 0.00 0.00 179.25 180.85 1oul h TYR 16 N -0.02 0.99 -0.12 0.00 -1.99 -0.84 -1.88 116.97 113.11 1oul h TYR 16 Ca 0.04 -0.18 0.03 0.00 2.00 0.00 0.00 58.73 60.62 1oul h TYR 16 Cb 0.28 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.72 1oul h TYR 16 CO 0.01 0.93 -0.09 -0.92 -0.00 0.00 0.00 178.16 178.10 1oul h TYR 17 N 0.82 -0.21 -0.60 4.88 3.20 -0.88 0.22 116.97 124.40 1oul h TYR 17 Ca 0.14 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1oul h TYR 17 Cb 0.58 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1oul h TYR 17 CO 0.03 -0.13 0.20 -0.44 -1.64 0.00 0.00 178.16 176.19 1oul h ASP 18 N -0.09 0.87 -0.79 -2.11 3.32 -1.22 -0.99 116.42 115.40 1oul h ASP 18 Ca 0.08 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1oul h ASP 18 Cb 0.20 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1oul h ASP 18 CO -0.18 0.83 0.32 -0.25 -1.72 0.00 0.00 179.24 178.24 1oul h TRP 19 N 0.86 1.21 0.72 4.55 7.01 -0.92 0.56 115.95 129.92 1oul h TRP 19 Ca 0.20 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 1oul h TRP 19 Cb 0.27 -0.36 0.01 0.00 -2.10 0.00 0.00 29.16 26.97 1oul h TRP 19 CO 0.02 0.91 -0.34 -0.07 -2.79 0.00 0.00 178.44 176.16 1oul h LEU 20 N 1.16 -0.82 -0.38 0.65 3.38 -0.19 -2.50 115.31 116.61 1oul h LEU 20 Ca 0.27 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.27 1oul h LEU 20 Cb 0.22 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1oul h LEU 20 CO -0.02 -0.50 0.18 0.58 0.09 0.00 0.00 178.44 178.76 1oul h VAL 21 N -1.10 0.96 -0.10 1.22 2.07 -1.14 -0.21 116.25 117.95 1oul h VAL 21 Ca -0.10 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1oul h VAL 21 Cb 0.76 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1oul h VAL 21 CO 0.16 0.07 0.16 0.44 0.02 0.00 0.00 177.57 178.41 1oul h ASP 22 N 0.37 0.00 -0.68 0.57 3.32 -0.89 0.11 116.42 119.22 1oul h ASP 22 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1oul h ASP 22 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1oul h ASP 22 CO -0.12 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.99 1oul n ASN 23 N -3.54 3.93 -1.66 6.45 3.02 -0.63 -4.93 115.26 117.90 1oul n ASN 23 Ca -0.00 -2.10 -0.13 0.00 -0.03 0.00 0.00 54.58 52.31 1oul n ASN 23 Cb 0.25 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1oul n ASN 23 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1oul n SER 24 N 1.43 -4.21 -4.89 6.41 7.64 0.37 -5.02 113.62 115.36 1oul n SER 24 Ca 0.24 -0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 1oul n SER 24 Cb 0.65 -3.29 -0.05 0.00 -1.01 0.00 0.00 64.21 60.51 1oul n SER 24 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1oul s PHE 25 N -2.75 3.45 -0.38 1.43 2.99 -0.18 -5.01 117.98 117.52 1oul s PHE 25 Ca 0.06 0.22 -0.20 0.00 0.00 0.00 0.00 56.93 57.01 1oul s PHE 25 Cb -0.03 -1.73 0.01 0.00 0.00 0.00 0.00 43.02 41.27 1oul s PHE 25 CO 0.08 0.58 0.63 0.99 -0.00 0.00 0.00 175.22 177.49 1oul s THR 26 N -1.47 4.88 -0.20 0.64 2.01 -1.26 -3.96 115.64 116.28 1oul s THR 26 Ca 0.33 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 1oul s THR 26 Cb -0.13 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 1oul s THR 26 CO 0.26 -0.40 1.20 -2.16 -0.69 0.00 0.00 174.62 172.83 1oul s PRO 27 N 2.72 4.20 -0.16 4.92 0.04 -1.26 -1.15 135.00 144.30 1oul s PRO 27 Ca 0.23 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 1oul s PRO 27 Cb -0.14 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.62 1oul s PRO 27 CO 0.16 -0.73 0.01 0.71 0.04 0.00 0.00 177.00 177.19 1oul s TYR 28 N 3.51 3.14 -0.19 0.56 1.51 0.06 -1.09 117.35 124.85 1oul s TYR 28 Ca 0.51 -0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1oul s TYR 28 Cb -0.19 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1oul s TYR 28 CO 0.13 0.08 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.45 1oul s LEU 29 N 0.29 3.13 -0.23 -1.29 2.96 0.76 -1.18 118.68 123.11 1oul s LEU 29 Ca -0.00 -0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.49 1oul s LEU 29 Cb -0.13 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1oul s LEU 29 CO 0.02 0.08 0.50 -0.69 -1.32 0.00 0.00 176.35 174.94 1oul s VAL 30 N 0.89 5.10 -0.07 1.68 1.01 0.82 -0.46 120.40 129.38 1oul s VAL 30 Ca -0.00 0.88 0.03 0.00 0.00 0.00 0.00 61.98 62.89 1oul s VAL 30 Cb -0.14 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1oul s VAL 30 CO 0.01 0.14 -0.14 -0.69 0.00 0.00 0.00 175.10 174.42 1oul s VAL 31 N 1.94 3.06 -1.03 2.92 1.01 0.82 -0.28 120.40 128.84 1oul s VAL 31 Ca 0.22 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 1oul s VAL 31 Cb -0.15 -2.22 0.12 0.00 0.00 0.00 0.00 36.38 34.12 1oul s VAL 31 CO 0.09 0.57 1.30 -0.62 0.00 0.00 0.00 175.10 176.45 1oul s ASP 32 N -0.45 6.71 0.00 3.32 2.15 0.39 -1.58 116.67 127.20 1oul s ASP 32 Ca 0.06 -2.15 0.00 0.00 0.43 0.00 0.00 52.55 50.89 1oul s ASP 32 Cb -0.12 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1oul s ASP 32 CO 0.02 -1.10 0.19 0.00 -0.17 0.00 0.00 175.17 174.11 1oul n ALA 33 N 6.97 1.69 -0.01 3.66 0.00 -1.23 -1.44 120.51 130.15 1oul n ALA 33 Ca 0.30 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.84 1oul n ALA 33 Cb 0.48 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 1oul n ALA 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1oul n THR 34 N -0.51 0.01 -1.05 0.00 -1.04 -1.26 -4.92 114.28 105.51 1oul n THR 34 Ca 0.00 -0.43 -0.31 0.00 -2.04 0.00 0.00 64.05 61.27 1oul n THR 34 Cb 0.00 0.07 0.12 0.00 -1.82 0.00 0.00 70.33 68.70 1oul n THR 34 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1oul s TYR 35 N -3.30 2.08 0.08 -1.42 5.04 -0.52 -4.95 117.35 114.37 1oul s TYR 35 Ca -0.07 1.67 -0.31 0.00 -2.44 0.00 0.00 57.07 55.92 1oul s TYR 35 Cb 0.12 -3.24 -0.08 0.00 0.35 0.00 0.00 41.96 39.11 1oul s TYR 35 CO 0.78 -2.34 1.58 -0.51 -1.34 0.00 0.00 175.55 173.72 1oul s LEU 36 N -6.09 4.36 0.00 6.97 1.02 -1.26 -3.25 118.68 120.42 1oul s LEU 36 Ca 0.65 2.45 0.00 0.00 0.02 0.00 0.00 54.13 57.25 1oul s LEU 36 Cb -0.21 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.43 1oul s LEU 36 CO 0.55 -0.84 0.00 0.61 0.02 0.00 0.00 176.35 176.69 1oul n GLY 37 N 3.87 1.01 3.77 -3.19 0.00 -1.26 -4.75 105.19 104.63 1oul n GLY 37 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1oul n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oul s VAL 38 N -2.76 2.48 -0.35 1.61 1.01 -1.20 -4.63 120.40 116.56 1oul s VAL 38 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1oul s VAL 38 Cb 0.00 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.27 1oul s VAL 38 CO 0.00 0.05 0.19 0.21 0.00 0.00 0.00 175.10 175.55 1oul s ASN 39 N -0.76 3.28 0.04 3.32 3.04 0.57 -5.00 114.94 119.44 1oul s ASN 39 Ca 0.60 -2.06 -0.02 0.00 0.04 0.00 0.00 52.86 51.42 1oul s ASN 39 Cb -0.39 -0.55 -0.03 0.00 -1.54 0.00 0.00 41.25 38.75 1oul s ASN 39 CO 0.49 -0.33 -0.00 0.68 -3.04 0.00 0.00 177.10 174.90 1oul s VAL 40 N 1.16 0.18 -0.31 -5.21 -7.23 -1.26 -2.34 120.40 105.39 1oul s VAL 40 Ca 0.16 -1.47 -0.28 0.00 -1.81 0.00 0.00 61.98 58.58 1oul s VAL 40 Cb -0.22 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1oul s VAL 40 CO -0.08 -0.81 2.14 -2.84 -0.31 0.00 0.00 175.10 173.20 1oul s PRO 41 N -3.18 2.98 0.32 4.82 0.02 -1.26 -4.82 135.00 133.88 1oul s PRO 41 Ca 0.00 1.73 0.22 0.00 0.02 0.00 0.00 61.00 62.96 1oul s PRO 41 Cb 0.03 -4.37 1.17 0.00 0.02 0.00 0.00 34.50 31.35 1oul s PRO 41 CO -0.07 -2.27 1.66 1.33 -0.33 0.00 0.00 177.00 177.31 1oul n VAL 42 N 7.70 1.03 0.28 3.83 0.24 -1.26 -1.53 118.33 128.62 1oul n VAL 42 Ca 0.29 0.74 0.17 0.00 -2.04 0.00 0.00 64.34 63.50 1oul n VAL 42 Cb 0.47 -1.74 0.75 0.00 -1.47 0.00 0.00 33.84 31.85 1oul n VAL 42 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1oul h GLU 43 N 0.00 0.00 -0.22 7.34 3.07 -2.06 -2.73 114.58 119.98 1oul h GLU 43 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1oul h GLU 43 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1oul h GLU 43 CO 0.00 0.04 0.00 0.66 -1.40 0.00 0.00 179.01 178.31 1oul n TYR 44 N -3.17 0.64 -3.66 4.33 4.02 -0.58 -5.00 117.16 113.73 1oul n TYR 44 Ca -0.00 -0.80 -0.37 0.00 -0.01 0.00 0.00 57.90 56.72 1oul n TYR 44 Cb 0.28 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.32 1oul n TYR 44 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1oul s VAL 45 N -2.36 5.31 -0.12 -0.72 1.01 -1.03 -4.83 120.40 117.67 1oul s VAL 45 Ca 0.34 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1oul s VAL 45 Cb 0.27 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1oul s VAL 45 CO 0.09 0.52 -0.11 -0.75 0.00 0.00 0.00 175.10 174.85 1oul s LYS 46 N -0.45 1.92 -1.29 2.72 2.20 -0.81 -4.82 119.74 119.20 1oul s LYS 46 Ca 0.17 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.31 1oul s LYS 46 Cb -0.13 -1.81 -0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1oul s LYS 46 CO 0.06 -0.21 0.62 -0.25 -0.36 0.00 0.00 175.35 175.20 1oul n ASP 47 N 4.72 -2.05 -3.91 1.43 10.43 -1.26 -1.83 116.55 124.07 1oul n ASP 47 Ca -0.16 -0.94 -0.26 0.00 2.57 0.00 0.00 54.79 56.00 1oul n ASP 47 Cb 0.50 -3.52 -0.00 0.00 1.84 0.00 0.00 41.12 39.95 1oul n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1oul n GLY 48 N -1.75 -0.30 3.63 0.44 0.00 -1.26 -4.96 105.19 100.98 1oul n GLY 48 Ca -0.24 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 1oul n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oul s GLN 49 N -6.44 0.44 0.05 1.61 0.74 -0.76 -3.51 119.66 111.79 1oul s GLN 49 Ca 0.17 0.78 0.06 0.00 0.05 0.00 0.00 55.36 56.43 1oul s GLN 49 Cb -0.09 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 1oul s GLN 49 CO 0.86 -0.10 -0.17 -1.50 -0.55 0.00 0.00 175.29 173.83 1oul s ILE 50 N 1.52 1.38 -0.21 -2.34 2.07 -0.61 -1.93 121.20 121.08 1oul s ILE 50 Ca -0.09 -1.19 -0.03 0.00 -1.41 0.00 0.00 60.65 57.94 1oul s ILE 50 Cb -0.04 -1.24 -0.00 0.00 0.13 0.00 0.00 42.46 41.30 1oul s ILE 50 CO -0.16 0.03 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.13 1oul s VAL 51 N -0.93 3.15 0.11 4.00 1.01 -1.26 -0.13 120.40 126.34 1oul s VAL 51 Ca 0.04 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1oul s VAL 51 Cb -0.09 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1oul s VAL 51 CO 0.02 0.45 0.05 -0.76 0.00 0.00 0.00 175.10 174.86 1oul s LEU 52 N 1.37 3.63 -0.34 3.92 1.43 0.39 -4.90 118.68 124.17 1oul s LEU 52 Ca 0.05 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 1oul s LEU 52 Cb -0.14 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1oul s LEU 52 CO -0.04 0.15 0.31 0.21 0.23 0.00 0.00 176.35 177.20 1oul s ASN 53 N -2.55 6.13 -0.06 2.29 3.84 -1.26 -0.17 114.94 123.16 1oul s ASN 53 Ca 0.28 -0.34 0.18 0.00 0.21 0.00 0.00 52.86 53.19 1oul s ASN 53 Cb -0.11 -2.17 0.61 0.00 -0.55 0.00 0.00 41.25 39.02 1oul s ASN 53 CO 0.21 -0.30 1.52 0.18 -2.79 0.00 0.00 177.10 175.91 1oul n LEU 54 N 5.26 4.11 -4.68 3.21 4.77 -0.25 -4.60 117.00 124.81 1oul n LEU 54 Ca -0.11 -2.26 -0.31 0.00 -0.03 0.00 0.00 56.01 53.31 1oul n LEU 54 Cb 0.49 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 41.26 1oul n LEU 54 CO 0.39 0.85 0.68 -0.94 -1.33 0.00 0.00 177.39 177.03 1oul s SER 55 N -1.03 3.14 0.15 -1.43 1.04 -1.26 -4.84 113.70 109.48 1oul s SER 55 Ca 0.45 2.06 -0.18 0.00 0.48 0.00 0.00 55.95 58.76 1oul s SER 55 Cb 0.27 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.90 1oul s SER 55 CO 0.25 -2.94 1.70 0.00 0.98 0.00 0.00 173.24 173.22 1oul h ALA 56 N -1.76 0.27 -0.76 5.32 0.00 -1.94 -2.70 119.26 117.68 1oul h ALA 56 Ca -0.44 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1oul h ALA 56 Cb 1.26 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 1oul h ALA 56 CO 0.44 -0.42 0.40 1.03 0.00 0.00 0.00 179.25 180.69 1oul h SER 57 N 0.06 0.52 -0.18 0.00 0.87 -1.98 -2.28 113.55 110.57 1oul h SER 57 Ca 0.16 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1oul h SER 57 Cb 0.22 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1oul h SER 57 CO -0.28 0.28 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1oul n ALA 58 N -2.41 2.50 -2.77 6.23 0.00 -1.04 -4.88 120.51 118.15 1oul n ALA 58 Ca 0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1oul n ALA 58 Cb 0.30 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 1oul n ALA 58 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1oul s THR 59 N -1.76 0.44 -0.07 0.00 -4.23 -0.86 -4.71 115.64 104.44 1oul s THR 59 Ca 0.22 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1oul s THR 59 Cb 0.11 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.25 1oul s THR 59 CO 0.17 -0.50 -0.23 -0.83 -0.54 0.00 0.00 174.62 172.69 1oul s GLY 60 N -1.80 1.23 -1.36 3.99 0.00 -0.65 -4.76 107.32 103.97 1oul s GLY 60 Ca -0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 1oul s GLY 60 CO -0.01 -0.42 0.52 -2.01 0.00 0.00 0.00 173.10 171.19 1oul n ASN 61 N 3.28 -0.67 -4.72 1.64 4.05 -1.26 -0.88 115.26 116.70 1oul n ASN 61 Ca -0.19 -0.94 -0.42 0.00 0.45 0.00 0.00 54.58 53.49 1oul n ASN 61 Cb 0.52 -3.43 -0.03 0.00 1.23 0.00 0.00 39.78 38.07 1oul n ASN 61 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1oul s LEU 62 N -6.85 4.38 -0.07 1.20 2.96 -1.26 -4.46 118.68 114.58 1oul s LEU 62 Ca 0.01 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.21 1oul s LEU 62 Cb -0.00 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.12 1oul s LEU 62 CO 0.86 -0.59 -0.06 0.00 -1.32 0.00 0.00 176.35 175.24 1oul s GLN 63 N 0.80 1.19 -0.77 1.98 -2.07 0.26 -5.00 119.66 116.05 1oul s GLN 63 Ca 0.62 -0.18 -0.07 0.00 -1.82 0.00 0.00 55.36 53.90 1oul s GLN 63 Cb -0.35 -1.20 0.20 0.00 -1.09 0.00 0.00 33.01 30.56 1oul s GLN 63 CO 0.32 -0.14 0.65 -0.51 -1.32 0.00 0.00 175.29 174.29 1oul s LEU 64 N 1.25 5.89 0.55 2.60 1.43 -1.26 -1.69 118.68 127.44 1oul s LEU 64 Ca -0.05 -2.98 -0.03 0.00 -1.03 0.00 0.00 54.13 50.04 1oul s LEU 64 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1oul s LEU 64 CO -0.02 -0.41 0.81 -0.89 0.23 0.00 0.00 176.35 176.08 1oul s THR 65 N -0.26 3.54 0.26 5.49 2.01 -0.21 -4.99 115.64 121.48 1oul s THR 65 Ca 0.20 -0.28 0.25 0.00 0.31 0.00 0.00 61.69 62.17 1oul s THR 65 Cb -0.14 -3.37 0.25 0.00 0.01 0.00 0.00 72.50 69.25 1oul s THR 65 CO -0.07 -0.32 1.92 0.78 -0.69 0.00 0.00 174.62 176.24 1oul h ASN 66 N 0.02 0.00 0.00 3.53 2.35 -1.97 -3.24 115.58 116.27 1oul h ASN 66 Ca -0.45 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.09 1oul h ASN 66 Cb 1.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.59 1oul h ASN 66 CO 0.58 0.19 -2.22 0.47 -1.65 0.00 0.00 177.43 174.80 1oul n ASP 67 N -3.50 0.00 -3.68 5.81 8.00 -1.26 -4.71 116.55 117.22 1oul n ASP 67 Ca -0.01 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 1oul n ASP 67 Cb 0.35 1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 42.86 1oul n ASP 67 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1oul s PHE 68 N -2.93 -0.28 -0.08 1.24 -0.12 -1.22 -4.54 117.98 110.05 1oul s PHE 68 Ca -0.09 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 1oul s PHE 68 Cb 0.09 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 43.09 1oul s PHE 68 CO 0.86 -0.96 -0.06 0.42 -0.05 0.00 0.00 175.22 175.43 1oul s ILE 69 N -3.63 3.73 -0.12 -4.49 1.09 0.88 -1.04 121.20 117.61 1oul s ILE 69 Ca 0.08 -0.46 -0.10 0.00 -1.10 0.00 0.00 60.65 59.07 1oul s ILE 69 Cb -0.03 -2.54 0.04 0.00 -1.06 0.00 0.00 42.46 38.87 1oul s ILE 69 CO -0.01 0.59 0.32 -1.58 -0.10 0.00 0.00 174.94 174.15 1oul s GLN 70 N -0.65 0.34 0.01 2.79 0.74 -0.68 -0.80 119.66 121.41 1oul s GLN 70 Ca 0.10 0.50 -0.29 0.00 0.05 0.00 0.00 55.36 55.73 1oul s GLN 70 Cb -0.11 0.10 0.10 0.00 1.10 0.00 0.00 33.01 34.19 1oul s GLN 70 CO 0.02 -0.08 0.98 -0.59 -0.55 0.00 0.00 175.29 175.06 1oul s PHE 71 N 0.53 -0.24 -0.22 1.67 -0.12 -0.81 -0.57 117.98 118.22 1oul s PHE 71 Ca -0.03 0.07 -0.18 0.00 -0.05 0.00 0.00 56.93 56.74 1oul s PHE 71 Cb -0.05 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1oul s PHE 71 CO -0.03 -0.56 0.49 -0.80 -0.05 0.00 0.00 175.22 174.27 1oul s ASN 72 N -2.61 6.49 0.11 1.98 0.01 -0.06 -0.41 114.94 120.45 1oul s ASN 72 Ca 0.08 0.59 0.09 0.00 -0.71 0.00 0.00 52.86 52.91 1oul s ASN 72 Cb -0.01 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1oul s ASN 72 CO -0.05 -0.18 -0.23 0.00 -1.51 0.00 0.00 177.10 175.13 1oul s ALA 73 N 1.73 1.99 -0.17 0.60 0.00 0.10 -1.64 121.76 124.38 1oul s ALA 73 Ca 0.22 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1oul s ALA 73 Cb -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1oul s ALA 73 CO 0.09 0.42 -0.19 0.50 0.00 0.00 0.00 175.76 176.58 1oul s ARG 74 N -1.94 3.05 -0.43 0.00 3.52 -1.26 -0.28 118.95 121.61 1oul s ARG 74 Ca 0.09 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1oul s ARG 74 Cb -0.10 -2.56 0.11 0.00 -1.56 0.00 0.00 34.95 30.84 1oul s ARG 74 CO 0.05 -0.13 0.21 -0.06 -0.81 0.00 0.00 175.30 174.56 1oul s PHE 75 N 1.11 3.58 -1.11 5.12 0.40 -1.22 -4.74 117.98 121.13 1oul s PHE 75 Ca 0.00 -2.56 -0.05 0.00 -0.60 0.00 0.00 56.93 53.73 1oul s PHE 75 Cb -0.14 -3.17 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 1oul s PHE 75 CO -0.08 -0.95 0.93 1.63 0.70 0.00 0.00 175.22 177.45 1oul n LYS 76 N 4.38 -3.63 0.00 0.44 5.02 -1.26 -2.69 118.16 120.42 1oul n LYS 76 Ca -0.00 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1oul n LYS 76 Cb 0.41 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.67 1oul n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oul n GLY 77 N -1.23 2.47 3.31 0.72 0.00 -1.26 -4.94 105.19 104.25 1oul n GLY 77 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1oul n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1oul n VAL 78 N -1.94 4.33 -1.95 1.61 0.31 -1.10 -5.02 118.33 114.58 1oul n VAL 78 Ca 0.00 -4.74 -0.41 0.00 -0.01 0.00 0.00 64.34 59.18 1oul n VAL 78 Cb 0.00 -2.44 -0.01 0.00 -0.91 0.00 0.00 33.84 30.48 1oul n VAL 78 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1oul s SER 79 N 2.14 6.55 0.27 4.52 0.01 -1.26 -3.40 113.70 122.53 1oul s SER 79 Ca 0.41 2.85 -0.21 0.00 1.31 0.00 0.00 55.95 60.31 1oul s SER 79 Cb -0.00 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.62 1oul s SER 79 CO 0.00 -0.73 0.83 0.00 0.41 0.00 0.00 173.24 173.75 1oul s ARG 80 N -1.52 1.72 -0.04 12.44 1.70 0.62 -4.97 118.95 128.89 1oul s ARG 80 Ca 0.54 -1.02 -0.12 0.00 -0.47 0.00 0.00 55.73 54.66 1oul s ARG 80 Cb -0.43 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1oul s ARG 80 CO 0.55 -0.80 0.31 -2.00 -1.08 0.00 0.00 175.30 172.28 1oul s GLU 81 N -3.15 3.74 -0.11 3.89 2.12 -1.26 0.03 118.70 123.96 1oul s GLU 81 Ca 0.14 0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.70 1oul s GLU 81 Cb -0.04 -3.21 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 1oul s GLU 81 CO 0.07 0.72 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.80 1oul s LEU 82 N -1.08 2.28 -0.12 2.70 1.43 0.45 -4.85 118.68 119.50 1oul s LEU 82 Ca 0.21 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1oul s LEU 82 Cb -0.15 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1oul s LEU 82 CO 0.10 0.16 -0.18 -0.47 0.23 0.00 0.00 176.35 176.20 1oul s TYR 83 N 0.33 2.21 -0.17 0.29 5.04 -0.99 -1.93 117.35 122.13 1oul s TYR 83 Ca -0.16 -1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 53.40 1oul s TYR 83 Cb -0.17 -1.55 0.05 0.00 0.35 0.00 0.00 41.96 40.64 1oul s TYR 83 CO 0.08 -0.50 0.01 0.42 -1.34 0.00 0.00 175.55 174.21 1oul s ILE 84 N 0.86 0.65 0.00 3.14 1.01 0.02 -0.31 121.20 126.57 1oul s ILE 84 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1oul s ILE 84 Cb -0.15 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1oul s ILE 84 CO -0.00 -0.05 0.00 -2.65 0.00 0.00 0.00 174.94 172.23 1oul n PRO 85 N 5.02 1.87 0.00 2.79 -0.02 -1.26 -0.09 135.00 143.31 1oul n PRO 85 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1oul n PRO 85 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1oul n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oul n GLY 87 N 1.26 0.00 0.03 -1.23 0.00 -1.26 -3.70 105.19 100.29 1oul n GLY 87 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1oul n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oul n ALA 88 N 0.00 3.38 -2.25 4.61 0.00 -1.26 -4.85 120.51 120.14 1oul n ALA 88 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 1oul n ALA 88 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1oul n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oul s ALA 89 N -3.10 3.27 -0.15 0.00 0.00 -1.24 -0.46 121.76 120.08 1oul s ALA 89 Ca 0.08 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1oul s ALA 89 Cb 0.15 -3.84 -0.24 0.00 0.00 0.00 0.00 23.12 19.20 1oul s ALA 89 CO 0.74 -1.95 0.24 1.28 0.00 0.00 0.00 175.76 176.07 1oul n LEU 90 N 8.24 2.70 -3.62 0.00 4.77 0.61 -4.77 117.00 124.94 1oul n LEU 90 Ca 0.17 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.23 1oul n LEU 90 Cb 0.46 -1.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 1oul n LEU 90 CO 0.65 0.87 0.67 0.00 -1.33 0.00 0.00 177.39 178.24 1oul s ALA 91 N -2.55 -1.71 -0.06 -1.18 0.00 -1.16 -0.82 121.76 114.28 1oul s ALA 91 Ca -0.25 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 1oul s ALA 91 Cb 0.07 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.79 1oul s ALA 91 CO 0.73 -0.86 0.15 -1.50 0.00 0.00 0.00 175.76 174.28 1oul s ILE 92 N -3.27 -0.04 0.22 0.00 2.07 -0.74 -0.12 121.20 119.32 1oul s ILE 92 Ca 0.08 0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 59.36 1oul s ILE 92 Cb -0.01 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 1oul s ILE 92 CO -0.04 0.06 0.41 -0.72 -1.91 0.00 0.00 174.94 172.74 1oul s TYR 93 N 0.99 0.43 -0.01 3.50 -0.85 -0.33 -1.56 117.35 119.52 1oul s TYR 93 Ca -0.08 -0.77 -0.28 0.00 -0.52 0.00 0.00 57.07 55.42 1oul s TYR 93 Cb -0.10 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 1oul s TYR 93 CO -0.05 -0.90 0.88 0.00 -1.52 0.00 0.00 175.55 173.96 1oul s ALA 94 N -4.02 3.22 0.41 9.51 0.00 0.50 -0.76 121.76 130.63 1oul s ALA 94 Ca 0.23 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.70 1oul s ALA 94 Cb 0.01 -3.21 0.87 0.00 0.00 0.00 0.00 23.12 20.79 1oul s ALA 94 CO 0.07 -0.17 1.95 -0.09 0.00 0.00 0.00 175.76 177.52 1oul h ARG 95 N 6.70 0.17 0.00 0.00 1.12 -1.49 0.39 114.38 121.27 1oul h ARG 95 Ca -0.41 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 1oul h ARG 95 Cb 1.21 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1oul h ARG 95 CO 0.75 0.30 0.00 0.93 -3.11 0.00 0.00 179.97 178.84 1oul h GLU 96 N 0.16 0.00 0.00 0.20 3.07 -1.92 -3.40 114.58 112.70 1oul h GLU 96 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1oul h GLU 96 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1oul h GLU 96 CO 0.02 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 177.90 1oul n ASN 97 N -2.58 0.00 0.00 1.42 2.04 -1.02 -5.04 115.26 110.09 1oul n ASN 97 Ca 0.03 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.17 1oul n ASN 97 Cb 0.33 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.58 1oul n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1oul n GLY 98 N 0.00 2.57 3.71 4.83 0.00 0.13 -4.97 105.19 111.46 1oul n GLY 98 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1oul n GLY 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oul s ASP 99 N -3.75 6.49 0.00 1.61 -1.08 -1.26 -4.46 116.67 114.22 1oul s ASP 99 Ca 0.00 2.70 0.00 0.00 -0.52 0.00 0.00 52.55 54.73 1oul s ASP 99 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1oul s ASP 99 CO 0.00 -0.92 0.00 0.61 0.52 0.00 0.00 175.17 175.38 1oul n GLY 100 N 3.97 -0.67 0.00 2.66 0.00 -1.26 -0.37 105.19 109.52 1oul n GLY 100 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1oul n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1oul n VAL 101 N 3.08 0.00 -4.85 1.61 0.24 -0.60 -4.99 118.33 112.83 1oul n VAL 101 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 1oul n VAL 101 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 1oul n VAL 101 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1oul s PHE 103 N 1.07 1.77 0.32 6.34 0.40 -0.00 -1.80 117.98 126.08 1oul s PHE 103 Ca 0.00 -0.55 -0.28 0.00 -0.60 0.00 0.00 56.93 55.50 1oul s PHE 103 Cb 0.00 -1.20 -0.10 0.00 0.51 0.00 0.00 43.02 42.23 1oul s PHE 103 CO 0.00 -0.20 1.16 -2.00 0.70 0.00 0.00 175.22 174.88 1oul s GLU 104 N 0.14 4.46 0.21 0.44 2.12 -1.26 -4.96 118.70 119.85 1oul s GLU 104 Ca -0.06 1.90 -0.31 0.00 0.36 0.00 0.00 54.97 56.85 1oul s GLU 104 Cb -0.13 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 1oul s GLU 104 CO 0.03 0.02 1.52 -1.25 -0.54 0.00 0.00 175.26 175.04 1oul s PRO 105 N -1.72 4.22 -0.09 4.30 0.04 -1.26 -4.98 135.00 135.52 1oul s PRO 105 Ca 0.48 2.37 0.03 0.00 0.04 0.00 0.00 61.00 63.92 1oul s PRO 105 Cb -0.33 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1oul s PRO 105 CO 0.43 -0.54 -0.20 -1.21 0.04 0.00 0.00 177.00 175.52 1oul s GLU 106 N 0.37 2.62 -0.81 4.56 2.02 -1.26 -5.07 118.70 121.14 1oul s GLU 106 Ca 0.65 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.65 1oul s GLU 106 Cb -0.44 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1oul s GLU 106 CO 0.38 0.13 1.62 -2.00 0.02 0.00 0.00 175.26 175.41 1oul s GLU 107 N 0.44 3.00 0.00 1.61 2.12 -1.26 -2.75 118.70 121.86 1oul s GLU 107 Ca -0.17 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1oul s GLU 107 Cb -0.17 -4.71 0.00 0.00 0.26 0.00 0.00 34.13 29.51 1oul s GLU 107 CO 0.07 -2.59 0.00 1.51 -0.54 0.00 0.00 175.26 173.72 1oul n ILE 108 N 7.05 0.00 0.87 -3.70 3.06 -1.26 -4.87 119.36 120.51 1oul n ILE 108 Ca 0.23 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.58 1oul n ILE 108 Cb 0.50 0.00 0.30 0.00 0.54 0.00 0.00 39.64 40.98 1oul n ILE 108 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1oul n TYR 109 N 0.00 0.34 -3.42 9.51 0.53 -1.11 -4.49 117.16 118.52 1oul n TYR 109 Ca 0.00 -0.17 -0.38 0.00 -1.02 0.00 0.00 57.90 56.33 1oul n TYR 109 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.25 1oul n TYR 109 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1oul s ASP 110 N -1.47 6.65 0.65 7.72 -1.08 -1.26 -4.95 116.67 122.93 1oul s ASP 110 Ca 0.34 0.77 0.28 0.00 -0.52 0.00 0.00 52.55 53.42 1oul s ASP 110 Cb 0.19 -2.25 1.48 0.00 -1.46 0.00 0.00 42.92 40.87 1oul s ASP 110 CO 0.27 0.11 1.84 -0.08 0.52 0.00 0.00 175.17 177.84 1oul h GLU 111 N 6.17 0.00 -0.09 4.34 4.81 -1.92 0.55 114.58 128.44 1oul h GLU 111 Ca -0.44 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.69 1oul h GLU 111 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1oul h GLU 111 CO 0.72 0.00 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.52 1oul h LEU 112 N 0.00 0.21 -1.55 1.64 3.38 -1.94 -2.70 115.31 114.35 1oul h LEU 112 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1oul h LEU 112 Cb 0.90 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1oul h LEU 112 CO -0.00 0.60 0.00 0.59 0.09 0.00 0.00 178.44 179.72 1oul n ASN 113 N -4.03 2.40 -4.76 -0.43 4.13 0.19 -4.87 115.26 107.89 1oul n ASN 113 Ca -0.01 -1.80 -0.38 0.00 1.68 0.00 0.00 54.58 54.07 1oul n ASN 113 Cb 0.47 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.63 1oul n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1oul s ILE 114 N -1.97 5.12 0.48 2.41 1.01 -0.96 -4.93 121.20 122.36 1oul s ILE 114 Ca 0.32 0.93 -0.21 0.00 0.00 0.00 0.00 60.65 61.69 1oul s ILE 114 Cb 0.20 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 1oul s ILE 114 CO 0.31 0.41 0.72 -0.62 0.00 0.00 0.00 174.94 175.77 1oul n GLU 115 N 3.05 0.82 -1.43 2.79 1.02 -1.26 -4.73 120.64 120.90 1oul n GLU 115 Ca -0.09 0.30 -0.62 0.00 -0.02 0.00 0.00 57.16 56.73 1oul n GLU 115 Cb 0.52 -1.79 -0.11 0.00 -0.02 0.00 0.00 31.44 30.03 1oul n GLU 115 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1oul n PRO 116 N 0.09 0.00 0.11 3.49 -0.02 -1.26 -4.85 135.00 132.56 1oul n PRO 116 Ca 0.11 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1oul n PRO 116 Cb 0.42 -1.49 0.12 0.00 -0.02 0.00 0.00 33.50 32.54 1oul n PRO 116 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1oul h ASP 117 N 7.41 0.00 -4.24 2.55 1.82 -1.95 -3.46 116.42 118.55 1oul h ASP 117 Ca -0.23 -0.07 -0.25 0.00 -0.39 0.00 0.00 57.03 56.09 1oul h ASP 117 Cb 1.39 0.00 -0.25 0.00 0.68 0.00 0.00 39.33 41.14 1oul h ASP 117 CO 1.04 0.03 -0.73 0.42 -1.61 0.00 0.00 179.24 178.40 1oul s THR 118 N -3.25 0.23 0.50 2.25 -4.23 -1.26 -5.16 115.64 104.72 1oul s THR 118 Ca 0.04 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 1oul s THR 118 Cb 0.10 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1oul s THR 118 CO 0.73 -0.15 0.83 -1.61 -0.54 0.00 0.00 174.62 173.88 1oul s GLU 119 N -0.64 3.58 0.40 3.99 2.02 -1.26 -5.06 118.70 121.73 1oul s GLU 119 Ca -0.05 0.33 -0.26 0.00 0.02 0.00 0.00 54.97 55.02 1oul s GLU 119 Cb -0.05 -2.32 -0.09 0.00 0.10 0.00 0.00 34.13 31.78 1oul s GLU 119 CO -0.00 -0.26 1.22 -0.65 0.02 0.00 0.00 175.26 175.59 1oul s GLN 120 N -4.73 4.03 -0.48 1.61 -1.52 -1.26 -4.90 119.66 112.40 1oul s GLN 120 Ca 0.49 1.97 -0.28 0.00 -1.95 0.00 0.00 55.36 55.59 1oul s GLN 120 Cb -0.10 -2.72 -0.09 0.00 -0.22 0.00 0.00 33.01 29.87 1oul s GLN 120 CO 0.45 -0.38 2.38 -2.30 -0.25 0.00 0.00 175.29 175.19 1oul n PRO 121 N 0.12 1.09 -4.04 2.91 -0.02 -1.26 -4.94 135.00 128.87 1oul n PRO 121 Ca 0.04 0.14 -0.22 0.00 -2.02 0.00 0.00 63.50 61.44 1oul n PRO 121 Cb 0.45 -3.02 -0.04 0.00 -0.02 0.00 0.00 33.50 30.87 1oul n PRO 121 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1oul s THR 122 N 10.36 4.05 0.00 3.45 -4.23 -1.26 -5.11 115.64 122.90 1oul s THR 122 Ca 1.05 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1oul s THR 122 Cb -0.44 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1oul s THR 122 CO 0.34 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1oul n GLY 123 N -1.22 -0.96 0.00 3.99 0.00 -1.26 -5.04 105.19 100.71 1oul n GLY 123 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1oul n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1oul n PHE 124 N 0.00 0.00 -2.09 1.61 7.35 -1.26 -5.14 117.46 117.93 1oul n PHE 124 Ca 0.00 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 1oul n PHE 124 Cb 0.00 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.84 1oul n PHE 124 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 1oul s TYR 125 N 0.00 2.65 0.00 -5.13 5.04 -1.26 -5.36 117.35 113.29 1oul s TYR 125 Ca 0.00 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1oul s TYR 125 Cb 0.00 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 38.79 1oul s TYR 125 CO 0.00 -1.99 0.00 0.39 -1.34 0.00 0.00 175.55 172.61