#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oek n LEU 10 N 0.00 0.00 -4.59 2.45 0.00 -1.26 -4.91 117.00 108.69 1oek n LEU 10 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 1oek n LEU 10 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 43.42 43.65 1oek n LEU 10 CO 0.00 0.00 0.60 0.42 0.00 0.00 0.00 177.39 178.41 1oek s THR 11 N 0.00 1.73 -0.05 1.96 -4.23 -1.26 -4.92 115.64 108.86 1oek s THR 11 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 1oek s THR 11 Cb 0.00 -2.43 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 1oek s THR 11 CO 0.00 0.00 1.16 -0.33 -0.54 0.00 0.00 174.62 174.91 1oek h GLU 12 N -2.44 0.00 0.21 3.99 5.08 -1.98 -2.66 114.58 116.77 1oek h GLU 12 Ca -0.49 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.55 1oek h GLU 12 Cb 1.31 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.59 1oek h GLU 12 CO 0.43 0.61 -1.40 -0.24 -1.00 0.00 0.00 179.01 177.41 1oek h VAL 13 N 0.00 1.34 -0.22 3.13 3.04 -2.01 -3.05 116.25 118.48 1oek h VAL 13 Ca -0.08 -2.77 -0.01 0.00 -1.01 0.00 0.00 66.70 62.84 1oek h VAL 13 Cb 1.62 2.98 -0.01 0.00 -2.01 0.00 0.00 31.29 33.88 1oek h VAL 13 CO 0.08 0.82 0.09 -0.33 -1.01 0.00 0.00 177.57 177.22 1oek h GLU 14 N 0.14 0.30 0.00 4.17 5.08 -1.95 -1.90 114.58 120.42 1oek h GLU 14 Ca -0.22 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 1oek h GLU 14 Cb 2.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 1oek h GLU 14 CO 0.26 0.25 -0.46 1.96 -1.00 0.00 0.00 179.01 180.01 1oek h GLN 15 N 0.30 0.00 0.00 2.33 1.08 -1.37 -1.85 115.11 115.60 1oek h GLN 15 Ca 0.08 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 1oek h GLN 15 Cb 0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1oek h GLN 15 CO -0.01 0.46 -0.86 0.87 -0.95 0.00 0.00 178.83 178.35 1oek h LYS 16 N 0.00 0.00 -0.16 1.46 1.57 -1.28 -1.77 116.57 116.39 1oek h LYS 16 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1oek h LYS 16 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1oek h LYS 16 CO 0.06 0.34 -0.02 0.00 -0.57 0.00 0.00 179.45 179.25 1oek h ALA 17 N 1.56 0.22 -0.00 3.86 0.00 -1.23 -0.96 119.26 122.71 1oek h ALA 17 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1oek h ALA 17 Cb 1.39 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1oek h ALA 17 CO 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1oek h ALA 18 N 0.74 1.49 -0.01 0.00 0.00 -0.46 -1.05 119.26 119.97 1oek h ALA 18 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1oek h ALA 18 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1oek h ALA 18 CO 0.01 -0.00 -0.10 0.09 0.00 0.00 0.00 179.25 179.25 1oek n ASN 19 N -3.78 1.12 0.00 0.00 5.03 -0.91 -4.90 115.26 111.82 1oek n ASN 19 Ca -0.03 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.26 1oek n ASN 19 Cb 0.08 0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1oek n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1oek n GLY 20 N 1.23 1.39 3.11 7.41 0.00 -0.40 -4.80 105.19 113.13 1oek n GLY 20 Ca 0.17 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1oek n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oek s VAL 21 N -2.00 1.97 -0.15 1.61 1.01 -0.41 -2.36 120.40 120.07 1oek s VAL 21 Ca 0.00 -0.89 -0.32 0.00 0.00 0.00 0.00 61.98 60.77 1oek s VAL 21 Cb 0.00 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.74 1oek s VAL 21 CO 0.00 0.53 1.11 0.72 0.00 0.00 0.00 175.10 177.45 1oek s PHE 22 N 1.20 -0.22 -0.11 5.22 -0.12 -1.26 -2.62 117.98 120.07 1oek s PHE 22 Ca 0.02 0.22 -0.20 0.00 -0.05 0.00 0.00 56.93 56.92 1oek s PHE 22 Cb -0.14 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1oek s PHE 22 CO -0.10 -0.29 0.57 -0.51 -0.05 0.00 0.00 175.22 174.84 1oek s ASP 23 N -1.88 6.78 0.64 1.98 1.01 -1.26 -4.92 116.67 119.01 1oek s ASP 23 Ca 0.06 0.93 0.19 0.00 0.71 0.00 0.00 52.55 54.45 1oek s ASP 23 Cb -0.01 -2.33 0.98 0.00 1.01 0.00 0.00 42.92 42.56 1oek s ASP 23 CO -0.05 -0.08 1.53 -0.78 0.21 0.00 0.00 175.17 176.00 1oek h ASP 24 N 6.86 0.00 -0.12 0.27 -0.00 -2.00 1.18 116.42 122.62 1oek h ASP 24 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.64 1oek h ASP 24 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 1oek h ASP 24 CO 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 180.00 1oek n ALA 25 N -1.88 2.49 -0.00 -0.78 0.00 -1.26 -3.47 120.51 115.61 1oek n ALA 25 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1oek n ALA 25 Cb 0.78 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 1oek n ALA 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1oek n ASN 26 N -0.16 4.69 -4.55 0.00 3.02 0.41 -4.99 115.26 113.67 1oek n ASN 26 Ca 0.05 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.14 1oek n ASN 26 Cb 0.11 0.93 -0.02 0.00 -0.61 0.00 0.00 39.78 40.19 1oek n ASN 26 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1oek n VAL 27 N -1.67 1.80 -4.27 2.41 0.31 -1.23 -4.84 118.33 110.85 1oek n VAL 27 Ca -0.01 -0.45 -0.15 0.00 -0.01 0.00 0.00 64.34 63.72 1oek n VAL 27 Cb 0.16 -0.80 -0.10 0.00 -0.91 0.00 0.00 33.84 32.19 1oek n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oek s GLN 28 N -1.26 1.17 0.49 5.55 -2.07 0.21 -4.99 119.66 118.77 1oek s GLN 28 Ca 0.62 -1.56 -0.23 0.00 -1.82 0.00 0.00 55.36 52.37 1oek s GLN 28 Cb -0.77 -0.47 -0.07 0.00 -1.09 0.00 0.00 33.01 30.61 1oek s GLN 28 CO 0.58 -0.07 1.26 0.09 -1.32 0.00 0.00 175.29 175.83 1oek n ASN 29 N -0.29 2.35 -4.56 12.60 5.03 -1.26 -4.14 115.26 124.99 1oek n ASN 29 Ca -0.07 1.02 -0.28 0.00 0.87 0.00 0.00 54.58 56.12 1oek n ASN 29 Cb 0.63 -1.51 -0.09 0.00 -1.02 0.00 0.00 39.78 37.78 1oek n ASN 29 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1oek s ARG 30 N -2.54 1.97 0.26 3.52 0.52 -1.26 -4.07 118.95 117.35 1oek s ARG 30 Ca 0.67 -2.17 0.08 0.00 -0.52 0.00 0.00 55.73 53.78 1oek s ARG 30 Cb -0.46 -1.31 -0.05 0.00 0.52 0.00 0.00 34.95 33.64 1oek s ARG 30 CO 0.53 -0.23 -0.10 0.95 0.02 0.00 0.00 175.30 176.47 1oek s THR 31 N -2.95 1.79 0.63 0.02 -4.23 -1.26 -5.03 115.64 104.62 1oek s THR 31 Ca 0.25 -2.19 0.35 0.00 -1.18 0.00 0.00 61.69 58.92 1oek s THR 31 Cb 0.06 -2.32 0.38 0.00 1.34 0.00 0.00 72.50 71.96 1oek s THR 31 CO 0.12 -0.40 2.19 0.25 -0.54 0.00 0.00 174.62 176.25 1oek h LEU 32 N 2.35 0.00 -2.60 4.79 5.85 -2.00 -1.97 115.31 121.73 1oek h LEU 32 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1oek h LEU 32 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1oek h LEU 32 CO 0.65 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 177.21 1oek n SER 33 N -3.39 3.99 0.00 1.25 3.41 -1.26 -2.28 113.62 115.35 1oek n SER 33 Ca -0.01 -2.49 0.14 0.00 -0.26 0.00 0.00 58.87 56.24 1oek n SER 33 Cb 0.21 -0.56 0.59 0.00 -0.26 0.00 0.00 64.21 64.19 1oek n SER 33 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1oek n ASP 34 N 0.61 0.04 -0.11 4.04 8.00 -0.74 -3.89 116.55 124.51 1oek n ASP 34 Ca 0.19 0.50 0.08 0.00 0.71 0.00 0.00 54.79 56.28 1oek n ASP 34 Cb 0.80 -0.51 0.11 0.00 -0.02 0.00 0.00 41.12 41.50 1oek n ASP 34 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1oek n TRP 35 N -1.53 0.00 -2.15 1.24 8.01 -0.96 -0.14 117.44 121.90 1oek n TRP 35 Ca 0.07 -0.85 -0.41 0.00 -1.31 0.00 0.00 57.50 55.00 1oek n TRP 35 Cb 0.33 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.31 29.48 1oek n TRP 35 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1oek s ASP 36 N -2.52 6.82 0.00 -0.99 1.11 -1.25 -4.62 116.67 115.22 1oek s ASP 36 Ca 0.26 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.60 1oek s ASP 36 Cb 0.23 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.58 1oek s ASP 36 CO 0.02 -0.52 0.00 0.61 1.18 0.00 0.00 175.17 176.47 1oek n GLY 37 N 1.19 2.44 3.86 0.21 0.00 -0.86 -4.95 105.19 107.09 1oek n GLY 37 Ca 0.01 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 1oek n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oek s VAL 38 N -2.00 5.29 -0.04 1.61 1.01 -1.26 -1.61 120.40 123.40 1oek s VAL 38 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1oek s VAL 38 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1oek s VAL 38 CO 0.00 0.60 0.23 0.26 0.00 0.00 0.00 175.10 176.19 1oek s TRP 39 N -1.06 -0.14 -0.04 5.22 0.52 -0.12 -1.33 118.94 122.00 1oek s TRP 39 Ca 0.19 0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.64 1oek s TRP 39 Cb -0.14 0.05 -0.01 0.00 -1.15 0.00 0.00 33.47 32.22 1oek s TRP 39 CO 0.08 -0.26 -0.20 1.14 0.02 0.00 0.00 176.95 177.73 1oek s GLN 40 N -0.83 1.90 0.15 4.98 -2.07 0.11 -1.45 119.66 122.46 1oek s GLN 40 Ca -0.09 -0.71 -0.31 0.00 -1.82 0.00 0.00 55.36 52.43 1oek s GLN 40 Cb -0.05 -1.69 -0.08 0.00 -1.09 0.00 0.00 33.01 30.10 1oek s GLN 40 CO 0.02 0.33 1.33 0.45 -1.32 0.00 0.00 175.29 176.11 1oek s SER 41 N -0.17 6.88 0.00 12.60 0.15 -0.80 -1.89 113.70 130.47 1oek s SER 41 Ca -0.00 2.33 0.28 0.00 0.70 0.00 0.00 55.95 59.26 1oek s SER 41 Cb -0.11 -2.60 1.42 0.00 -1.71 0.00 0.00 66.02 63.03 1oek s SER 41 CO 0.02 -0.58 1.94 1.33 1.20 0.00 0.00 173.24 177.15 1oek n VAL 42 N 3.32 0.02 -0.12 4.45 0.24 -0.64 -4.16 118.33 121.44 1oek n VAL 42 Ca 0.09 -0.11 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 1oek n VAL 42 Cb 0.43 -0.09 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 1oek n VAL 42 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1oek h TYR 43 N 0.91 -0.52 -0.04 6.34 3.20 -1.82 0.37 116.97 125.41 1oek h TYR 43 Ca 0.00 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1oek h TYR 43 Cb 0.20 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1oek h TYR 43 CO 0.01 -0.29 0.11 -1.35 -1.64 0.00 0.00 178.16 175.00 1oek h PRO 44 N -0.13 0.00 0.00 1.82 0.11 -1.95 0.33 132.00 132.18 1oek h PRO 44 Ca 0.20 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 1oek h PRO 44 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1oek h PRO 44 CO -0.50 0.00 -0.64 -0.07 -0.21 0.00 0.00 178.00 176.59 1oek h LEU 45 N 0.00 0.00 -0.15 2.35 3.38 -1.22 -2.14 115.31 117.53 1oek h LEU 45 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1oek h LEU 45 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1oek h LEU 45 CO -0.00 0.45 0.02 0.25 0.09 0.00 0.00 178.44 179.25 1oek h LEU 46 N 0.00 0.24 -0.80 1.67 6.46 0.14 -2.35 115.31 120.67 1oek h LEU 46 Ca -0.03 -0.26 -0.12 0.00 -0.12 0.00 0.00 57.88 57.35 1oek h LEU 46 Cb 1.37 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.22 1oek h LEU 46 CO 0.05 0.44 -0.34 1.56 -0.62 0.00 0.00 178.44 179.54 1oek h GLN 47 N 0.03 0.51 -0.84 1.25 4.20 -1.21 -1.30 115.11 117.76 1oek h GLN 47 Ca 0.05 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1oek h GLN 47 Cb 0.30 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1oek h GLN 47 CO 0.00 0.79 0.03 -1.13 -0.67 0.00 0.00 178.83 177.85 1oek n SER 48 N -4.07 3.05 0.00 1.46 3.41 -0.81 -4.89 113.62 111.77 1oek n SER 48 Ca -0.01 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 1oek n SER 48 Cb 0.47 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1oek n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oek n GLY 49 N 0.21 0.14 0.26 5.00 0.00 -0.49 -4.85 105.19 105.46 1oek n GLY 49 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1oek n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oek h LYS 50 N 0.41 0.00 -0.43 1.61 6.56 -1.62 -2.21 116.57 120.88 1oek h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1oek h LYS 50 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1oek h LYS 50 CO 0.00 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 178.67 1oek n LEU 51 N -2.54 3.16 0.08 2.94 4.77 -1.10 -4.73 117.00 119.59 1oek n LEU 51 Ca -0.02 -1.93 -0.13 0.00 -0.03 0.00 0.00 56.01 53.91 1oek n LEU 51 Cb 0.35 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1oek n LEU 51 CO 0.10 0.78 0.74 0.44 -1.33 0.00 0.00 177.39 178.12 1oek h ASP 52 N 2.71 -0.13 -1.19 -1.43 5.19 -1.72 -2.00 116.42 117.84 1oek h ASP 52 Ca 0.00 -0.14 0.41 0.00 -0.62 0.00 0.00 57.03 56.68 1oek h ASP 52 Cb 0.79 0.03 -0.12 0.00 0.18 0.00 0.00 39.33 40.22 1oek h ASP 52 CO 0.00 0.06 0.77 -2.65 -3.12 0.00 0.00 179.24 174.30 1oek n PRO 53 N -5.08 -0.03 0.35 3.56 -0.02 -1.26 0.13 135.00 132.66 1oek n PRO 53 Ca -0.08 1.05 -0.16 0.00 -2.02 0.00 0.00 63.50 62.29 1oek n PRO 53 Cb 0.16 -2.09 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 1oek n PRO 53 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1oek h VAL 54 N 0.00 0.16 0.00 -1.45 2.07 -1.71 -1.24 116.25 114.08 1oek h VAL 54 Ca 0.75 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.99 1oek h VAL 54 Cb 2.44 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1oek h VAL 54 CO -0.38 0.02 -0.08 -0.26 0.02 0.00 0.00 177.57 176.89 1oek h PHE 55 N -1.14 0.00 0.17 1.57 0.04 0.13 -2.29 116.94 115.41 1oek h PHE 55 Ca -0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 1oek h PHE 55 Cb 0.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1oek h PHE 55 CO 0.00 0.08 -0.08 0.37 -0.60 0.00 0.00 178.31 178.07 1oek h GLN 56 N 0.00 -0.22 0.00 1.51 -0.00 0.73 -2.74 115.11 114.39 1oek h GLN 56 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1oek h GLN 56 Cb 0.20 0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1oek h GLN 56 CO 0.01 -0.15 0.38 -0.22 0.00 0.00 0.00 178.83 178.85 1oek h LYS 57 N -0.32 0.00 0.19 1.69 3.64 -0.75 0.74 116.57 121.75 1oek h LYS 57 Ca -0.02 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.03 1oek h LYS 57 Cb 0.17 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1oek h LYS 57 CO 0.04 0.00 -1.57 0.87 -2.27 0.00 0.00 179.45 176.52 1oek h LYS 58 N 0.00 0.40 0.00 1.90 1.57 -1.45 -3.24 116.57 115.76 1oek h LYS 58 Ca 0.00 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 1oek h LYS 58 Cb 0.76 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1oek h LYS 58 CO 0.00 1.33 0.00 0.00 -0.57 0.00 0.00 179.45 180.21 1oek n ALA 59 N -2.84 1.76 0.35 3.86 0.00 0.19 -2.13 120.51 121.71 1oek n ALA 59 Ca -0.22 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.33 1oek n ALA 59 Cb 1.03 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 19.40 1oek n ALA 59 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1oek h ASP 60 N 0.00 0.00 0.00 0.00 5.19 -1.41 -3.26 116.42 116.94 1oek h ASP 60 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1oek h ASP 60 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1oek h ASP 60 CO 0.00 0.00 -0.12 0.00 -3.12 0.00 0.00 179.24 176.01 1oek n ALA 61 N -2.00 2.12 -3.68 3.45 0.00 -0.98 -4.96 120.51 114.46 1oek n ALA 61 Ca 0.04 -2.00 -0.20 0.00 0.00 0.00 0.00 53.44 51.28 1oek n ALA 61 Cb 0.50 -0.35 -0.18 0.00 0.00 0.00 0.00 19.45 19.42 1oek n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oek s ASP 62 N -2.14 1.19 0.07 0.00 -1.08 -0.90 -5.00 116.67 108.81 1oek s ASP 62 Ca 0.20 0.06 0.23 0.00 -0.52 0.00 0.00 52.55 52.52 1oek s ASP 62 Cb 0.18 -0.17 0.06 0.00 -1.46 0.00 0.00 42.92 41.52 1oek s ASP 62 CO 0.02 -0.24 1.04 1.17 0.52 0.00 0.00 175.17 177.67 1oek n LYS 63 N 5.28 0.35 0.13 4.34 0.00 -1.26 -3.07 118.16 123.92 1oek n LYS 63 Ca -0.04 0.01 0.13 0.00 0.00 0.00 0.00 58.31 58.42 1oek n LYS 63 Cb 0.50 -1.63 0.37 0.00 0.00 0.00 0.00 35.03 34.27 1oek n LYS 63 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1oek h THR 64 N 0.00 0.00 -3.88 3.15 2.02 -1.94 -3.46 112.91 108.81 1oek h THR 64 Ca 0.00 -0.55 -0.58 0.00 0.77 0.00 0.00 66.41 66.05 1oek h THR 64 Cb 0.78 1.54 -0.31 0.00 -1.74 0.00 0.00 68.15 68.41 1oek h THR 64 CO 0.00 0.00 -0.84 -0.54 0.37 0.00 0.00 175.52 174.51 1oek s LYS 65 N -3.13 1.90 0.15 6.66 -0.14 -1.17 -5.10 119.74 118.90 1oek s LYS 65 Ca 0.10 -0.64 -0.07 0.00 -1.36 0.00 0.00 55.97 54.00 1oek s LYS 65 Cb 0.11 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.57 1oek s LYS 65 CO 0.60 0.25 0.42 0.95 -0.76 0.00 0.00 175.35 176.81 1oek s THR 66 N 0.05 5.10 0.22 2.17 -4.23 -1.26 -4.66 115.64 113.02 1oek s THR 66 Ca -0.05 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1oek s THR 66 Cb -0.12 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.44 1oek s THR 66 CO 0.03 0.06 1.20 0.33 -0.54 0.00 0.00 174.62 175.70 1oek n PHE 67 N 0.20 0.31 0.00 3.99 7.35 -1.26 -1.37 117.46 126.68 1oek n PHE 67 Ca -0.03 0.93 0.00 0.00 -0.76 0.00 0.00 57.45 57.60 1oek n PHE 67 Cb 0.52 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.38 1oek n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1oek n ALA 68 N -3.65 -0.19 0.11 3.13 0.00 -1.26 -2.33 120.51 116.33 1oek n ALA 68 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.65 1oek n ALA 68 Cb 0.42 0.31 0.55 0.00 0.00 0.00 0.00 19.45 20.72 1oek n ALA 68 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1oek h GLU 69 N 0.00 0.24 0.53 0.00 4.11 -1.62 -1.96 114.58 115.88 1oek h GLU 69 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1oek h GLU 69 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1oek h GLU 69 CO 0.00 0.16 -0.31 0.82 0.07 0.00 0.00 179.01 179.75 1oek h ILE 70 N 0.25 0.00 -0.95 -1.06 2.04 -1.38 -0.99 117.51 115.41 1oek h ILE 70 Ca 0.10 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.11 1oek h ILE 70 Cb 0.10 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.02 1oek h ILE 70 CO -0.02 0.00 -0.37 0.50 0.00 0.00 0.00 178.15 178.26 1oek h LYS 71 N -0.78 -0.02 -0.78 2.37 3.64 -1.09 0.18 116.57 120.09 1oek h LYS 71 Ca -0.07 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1oek h LYS 71 Cb 0.62 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 1oek h LYS 71 CO 0.08 -0.01 0.51 0.22 -2.27 0.00 0.00 179.45 177.98 1oek h ASP 72 N -0.02 0.74 -0.81 4.20 3.58 -1.27 -0.21 116.42 122.63 1oek h ASP 72 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1oek h ASP 72 Cb 0.60 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1oek h ASP 72 CO -0.96 0.48 0.52 0.22 -2.88 0.00 0.00 179.24 176.62 1oek h TYR 73 N 0.84 1.04 0.00 0.28 3.20 0.73 -2.74 116.97 120.33 1oek h TYR 73 Ca 0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 1oek h TYR 73 Cb 0.24 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 1oek h TYR 73 CO -0.00 0.68 -0.64 1.88 -1.64 0.00 0.00 178.16 178.44 1oek h TYR 74 N 1.11 0.00 0.68 -3.82 0.05 -0.36 -1.20 116.97 113.42 1oek h TYR 74 Ca 0.29 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.04 1oek h TYR 74 Cb -0.09 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.66 1oek h TYR 74 CO -0.01 0.03 -0.32 1.25 -1.05 0.00 0.00 178.16 178.05 1oek h HIS 75 N 0.00 -0.84 -0.31 4.88 2.76 -0.97 0.21 115.15 120.87 1oek h HIS 75 Ca -0.01 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.04 1oek h HIS 75 Cb 1.03 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 1oek h HIS 75 CO 0.00 -0.50 -0.25 0.87 -1.30 0.00 0.00 177.93 176.75 1oek h LYS 76 N -0.99 0.61 0.16 5.26 1.57 -1.55 -2.95 116.57 118.68 1oek h LYS 76 Ca -0.09 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1oek h LYS 76 Cb 0.72 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1oek h LYS 76 CO 0.15 0.81 -0.08 0.78 -0.57 0.00 0.00 179.45 180.54 1oek h GLY 77 N 1.00 -0.22 0.13 3.86 0.00 -1.15 -3.32 103.07 103.38 1oek h GLY 77 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1oek h GLY 77 CO 0.05 -0.08 -0.26 -1.72 0.00 0.00 0.00 176.54 174.53 1oek n TYR 78 N -5.13 0.00 -1.83 5.60 4.01 0.71 0.16 117.16 120.70 1oek n TYR 78 Ca -0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.23 1oek n TYR 78 Cb 0.15 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1oek n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1oek s ALA 79 N -2.48 3.67 0.18 -0.72 0.00 -1.12 -4.44 121.76 116.85 1oek s ALA 79 Ca 0.25 1.26 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 1oek s ALA 79 Cb 0.19 -3.75 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1oek s ALA 79 CO 0.52 -1.28 0.39 -0.08 0.00 0.00 0.00 175.76 175.30 1oek s THR 80 N 3.27 0.05 -0.52 0.00 -1.32 -1.26 -4.57 115.64 111.29 1oek s THR 80 Ca 0.79 -1.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 1oek s THR 80 Cb -0.41 -1.73 0.17 0.00 -1.51 0.00 0.00 72.50 69.02 1oek s THR 80 CO 0.35 -0.22 1.14 -0.90 -2.21 0.00 0.00 174.62 172.77 1oek n ASP 81 N -0.27 2.50 -4.56 8.08 5.68 -1.26 -4.79 116.55 121.94 1oek n ASP 81 Ca -0.09 -1.99 -0.43 0.00 -0.50 0.00 0.00 54.79 51.79 1oek n ASP 81 Cb 0.63 -0.13 -0.01 0.00 -1.14 0.00 0.00 41.12 40.47 1oek n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1oek s ILE 82 N -0.99 4.23 0.47 2.12 1.09 -1.26 -4.34 121.20 122.51 1oek s ILE 82 Ca 0.13 -1.83 0.41 0.00 -1.10 0.00 0.00 60.65 58.25 1oek s ILE 82 Cb 0.07 -5.13 0.60 0.00 -1.06 0.00 0.00 42.46 36.94 1oek s ILE 82 CO 0.09 -1.95 1.37 1.21 -0.10 0.00 0.00 174.94 175.56 1oek n GLU 83 N 8.05 -0.01 -3.57 2.79 2.13 -0.92 -4.62 120.64 124.49 1oek n GLU 83 Ca 0.44 0.99 -0.02 0.00 0.66 0.00 0.00 57.16 59.24 1oek n GLU 83 Cb 0.46 -2.20 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 1oek n GLU 83 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1oek s MET 84 N -4.73 0.45 -0.07 5.31 0.00 -1.22 -1.90 119.30 117.14 1oek s MET 84 Ca -0.05 0.94 0.01 0.00 0.00 0.00 0.00 55.69 56.59 1oek s MET 84 Cb 0.25 0.36 -0.03 0.00 0.00 0.00 0.00 34.83 35.41 1oek s MET 84 CO 0.77 -0.12 -0.08 0.42 0.00 0.00 0.00 175.02 176.01 1oek s ILE 85 N 2.05 3.64 -0.07 10.11 1.01 -0.53 -1.02 121.20 136.40 1oek s ILE 85 Ca -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1oek s ILE 85 Cb -0.06 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1oek s ILE 85 CO -0.17 0.59 -0.14 -0.83 0.00 0.00 0.00 174.94 174.39 1oek s GLY 86 N -0.70 0.86 -0.06 6.18 0.00 -0.55 -0.94 107.32 112.11 1oek s GLY 86 Ca 0.11 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.37 1oek s GLY 86 CO 0.02 0.06 -0.16 -0.42 0.00 0.00 0.00 173.10 172.60 1oek s ILE 87 N 0.62 1.39 -0.29 0.90 1.01 -0.63 -0.79 121.20 123.41 1oek s ILE 87 Ca -0.15 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.60 1oek s ILE 87 Cb -0.16 -1.22 0.15 0.00 0.01 0.00 0.00 42.46 41.24 1oek s ILE 87 CO 0.04 0.41 1.18 -0.70 0.00 0.00 0.00 174.94 175.87 1oek s GLU 88 N 0.33 0.34 -1.37 2.79 2.12 -0.19 -2.02 118.70 120.70 1oek s GLU 88 Ca -0.10 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1oek s GLU 88 Cb -0.14 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.41 1oek s GLU 88 CO 0.04 -0.04 0.00 -0.25 -0.54 0.00 0.00 175.26 174.47 1oek n ASP 89 N 2.05 -4.65 0.00 -1.70 9.92 -1.26 -2.27 116.55 118.64 1oek n ASP 89 Ca -0.12 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1oek n ASP 89 Cb 0.56 -3.73 0.00 0.00 -0.64 0.00 0.00 41.12 37.31 1oek n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oek n GLY 90 N -1.03 1.12 3.66 0.44 0.00 -1.26 -5.06 105.19 103.06 1oek n GLY 90 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1oek n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oek s ILE 91 N -2.44 3.87 -0.16 -0.61 -1.09 -0.96 -3.03 121.20 116.79 1oek s ILE 91 Ca 0.00 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1oek s ILE 91 Cb 0.00 -2.82 0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1oek s ILE 91 CO 0.00 0.15 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.08 1oek s VAL 92 N -1.26 1.32 -0.17 2.92 1.01 -1.11 -1.02 120.40 122.09 1oek s VAL 92 Ca 0.24 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1oek s VAL 92 Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1oek s VAL 92 CO 0.16 0.28 0.02 -0.70 0.00 0.00 0.00 175.10 174.86 1oek s GLU 93 N 1.57 3.85 -0.09 2.72 2.12 0.03 -2.15 118.70 126.74 1oek s GLU 93 Ca 0.02 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1oek s GLU 93 Cb -0.14 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1oek s GLU 93 CO -0.09 0.26 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.71 1oek s PHE 94 N 0.36 2.77 -0.33 5.30 0.08 -0.25 -1.49 117.98 124.42 1oek s PHE 94 Ca -0.00 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.59 1oek s PHE 94 Cb -0.13 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1oek s PHE 94 CO 0.01 -0.01 0.10 -1.01 -0.10 0.00 0.00 175.22 174.22 1oek s HIS 95 N -0.18 3.21 -0.04 0.36 3.76 -0.19 -2.48 115.29 119.73 1oek s HIS 95 Ca 0.00 -1.21 -0.02 0.00 -0.15 0.00 0.00 55.06 53.67 1oek s HIS 95 Cb -0.13 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1oek s HIS 95 CO 0.03 -0.66 -0.06 -2.13 -0.85 0.00 0.00 174.74 171.06 1oek n ARG 96 N 4.85 0.10 -2.94 1.40 0.63 -1.11 -2.17 116.66 117.42 1oek n ARG 96 Ca -0.13 0.04 -0.14 0.00 -0.92 0.00 0.00 57.85 56.71 1oek n ARG 96 Cb 0.46 -0.67 0.01 0.00 0.45 0.00 0.00 32.46 32.71 1oek n ARG 96 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1oek n ASN 97 N -3.26 0.78 -1.19 6.15 3.02 -1.26 -4.75 115.26 114.75 1oek n ASN 97 Ca -0.09 -2.91 -0.09 0.00 -0.03 0.00 0.00 54.58 51.47 1oek n ASN 97 Cb 0.52 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1oek n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1oek n ASN 98 N 0.11 -3.23 -3.65 6.41 5.03 -1.26 -5.01 115.26 113.66 1oek n ASN 98 Ca 0.17 -0.07 -0.05 0.00 0.87 0.00 0.00 54.58 55.50 1oek n ASN 98 Cb 0.73 -2.33 -0.06 0.00 -1.02 0.00 0.00 39.78 37.10 1oek n ASN 98 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1oek s GLU 99 N -4.73 0.65 0.18 3.52 2.02 -1.26 -5.18 118.70 113.90 1oek s GLU 99 Ca 0.06 1.31 0.04 0.00 0.02 0.00 0.00 54.97 56.40 1oek s GLU 99 Cb -0.03 0.42 -0.03 0.00 0.10 0.00 0.00 34.13 34.59 1oek s GLU 99 CO 0.08 -0.17 0.26 0.95 0.02 0.00 0.00 175.26 176.40 1oek s THR 100 N 2.12 5.07 0.24 3.63 -4.23 -1.26 -2.76 115.64 118.45 1oek s THR 100 Ca -0.08 -0.88 0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1oek s THR 100 Cb -0.08 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 1oek s THR 100 CO -0.19 -0.16 -0.16 0.42 -0.54 0.00 0.00 174.62 173.98 1oek s THR 101 N -1.82 2.71 0.20 3.99 -4.23 -1.04 -4.96 115.64 110.49 1oek s THR 101 Ca 0.34 -2.11 -0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1oek s THR 101 Cb -0.10 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1oek s THR 101 CO 0.27 -0.27 0.27 -0.94 -0.54 0.00 0.00 174.62 173.42 1oek s SER 102 N -3.19 0.06 -0.18 3.99 1.04 -1.26 -1.09 113.70 113.07 1oek s SER 102 Ca 0.27 -1.08 -0.28 0.00 0.48 0.00 0.00 55.95 55.33 1oek s SER 102 Cb -0.07 0.45 0.11 0.00 0.10 0.00 0.00 66.02 66.61 1oek s SER 102 CO 0.14 -0.94 0.90 0.00 0.98 0.00 0.00 173.24 174.32 1oek s LYS 104 N -0.63 3.57 1.01 0.00 2.20 -1.26 -2.74 119.74 121.89 1oek s LYS 104 Ca -0.03 -1.26 -0.12 0.00 -0.36 0.00 0.00 55.97 54.20 1oek s LYS 104 Cb -0.02 -5.18 0.20 0.00 -1.51 0.00 0.00 37.83 31.32 1oek s LYS 104 CO 0.02 -2.08 1.08 0.71 -0.36 0.00 0.00 175.35 174.72 1oek s TYR 105 N 4.36 2.01 -0.03 4.03 2.02 -1.17 -4.64 117.35 123.94 1oek s TYR 105 Ca 0.42 1.06 0.02 0.00 -0.37 0.00 0.00 57.07 58.20 1oek s TYR 105 Cb -0.02 -3.23 0.01 0.00 -0.40 0.00 0.00 41.96 38.32 1oek s TYR 105 CO -0.09 -2.98 -0.09 -0.51 -1.57 0.00 0.00 175.55 170.32 1oek s ASP 106 N -3.31 1.24 0.31 2.29 1.01 -0.12 -4.92 116.67 113.17 1oek s ASP 106 Ca 0.66 -0.19 -0.29 0.00 0.71 0.00 0.00 52.55 53.43 1oek s ASP 106 Cb -0.19 -0.37 -0.10 0.00 1.01 0.00 0.00 42.92 43.26 1oek s ASP 106 CO 0.58 0.06 1.20 -0.47 0.21 0.00 0.00 175.17 176.75 1oek s TYR 107 N 0.28 3.31 -0.07 4.23 5.04 -1.26 -2.12 117.35 126.76 1oek s TYR 107 Ca -0.05 1.57 0.24 0.00 -2.44 0.00 0.00 57.07 56.39 1oek s TYR 107 Cb -0.10 -3.47 0.45 0.00 0.35 0.00 0.00 41.96 39.20 1oek s TYR 107 CO 0.01 -1.18 1.16 -3.47 -1.34 0.00 0.00 175.55 170.73 1oek n ASP 108 N 0.94 1.21 0.00 4.32 2.03 -0.43 -4.93 116.55 119.69 1oek n ASP 108 Ca -0.00 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.20 1oek n ASP 108 Cb 0.44 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1oek n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oek n GLY 109 N 0.17 -1.78 2.94 0.27 0.00 -1.24 -4.78 105.19 100.77 1oek n GLY 109 Ca 0.07 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1oek n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1oek s TYR 110 N 0.00 0.38 -0.11 1.61 -0.85 -1.26 -0.55 117.35 116.57 1oek s TYR 110 Ca 0.00 -0.08 -0.17 0.00 -0.52 0.00 0.00 57.07 56.30 1oek s TYR 110 Cb 0.00 -0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 1oek s TYR 110 CO 0.00 -0.01 0.44 0.21 -1.52 0.00 0.00 175.55 174.67 1oek s LYS 111 N -0.13 4.28 -0.03 -3.49 2.47 -0.45 -4.95 119.74 117.44 1oek s LYS 111 Ca 0.01 0.38 -0.26 0.00 -1.56 0.00 0.00 55.97 54.54 1oek s LYS 111 Cb -0.02 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 1oek s LYS 111 CO -0.00 0.24 0.82 0.42 0.16 0.00 0.00 175.35 176.99 1oek s ILE 112 N 0.39 4.95 0.11 5.43 1.01 -1.26 -1.05 121.20 130.77 1oek s ILE 112 Ca 0.24 1.71 0.09 0.00 0.00 0.00 0.00 60.65 62.69 1oek s ILE 112 Cb -0.15 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1oek s ILE 112 CO 0.09 0.22 -0.19 -0.76 0.00 0.00 0.00 174.94 174.31 1oek s LEU 113 N 0.81 2.65 -0.15 2.97 1.43 0.20 -4.96 118.68 121.63 1oek s LEU 113 Ca 0.44 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1oek s LEU 113 Cb -0.19 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1oek s LEU 113 CO 0.23 0.19 -0.21 -0.89 0.23 0.00 0.00 176.35 175.90 1oek s THR 114 N -1.11 1.99 0.52 5.49 2.01 -1.26 0.18 115.64 123.46 1oek s THR 114 Ca 0.17 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1oek s THR 114 Cb -0.10 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 1oek s THR 114 CO 0.09 0.53 0.80 -0.31 -0.69 0.00 0.00 174.62 175.05 1oek s TYR 115 N 0.96 3.29 -0.03 4.92 2.02 1.20 -4.93 117.35 124.79 1oek s TYR 115 Ca -0.04 0.53 0.04 0.00 -0.37 0.00 0.00 57.07 57.23 1oek s TYR 115 Cb -0.15 -2.52 0.23 0.00 -0.40 0.00 0.00 41.96 39.12 1oek s TYR 115 CO -0.05 -0.58 0.89 1.63 -1.57 0.00 0.00 175.55 175.87 1oek n LYS 116 N -2.36 0.03 -1.04 -0.62 4.01 -1.26 -1.17 118.16 115.75 1oek n LYS 116 Ca 0.03 0.38 -0.06 0.00 -0.51 0.00 0.00 58.31 58.14 1oek n LYS 116 Cb 0.57 -2.05 0.31 0.00 -0.51 0.00 0.00 35.03 33.35 1oek n LYS 116 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1oek n SER 117 N -1.61 4.84 0.00 4.39 3.41 -1.26 -4.87 113.62 118.53 1oek n SER 117 Ca -0.00 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1oek n SER 117 Cb 0.45 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1oek n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oek n GLY 118 N -0.17 0.11 3.77 5.00 0.00 -0.32 -4.94 105.19 108.63 1oek n GLY 118 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 1oek n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oek s LYS 119 N 0.00 2.61 0.24 1.61 1.02 -1.25 -4.57 119.74 119.40 1oek s LYS 119 Ca 0.00 1.34 0.11 0.00 0.02 0.00 0.00 55.97 57.44 1oek s LYS 119 Cb 0.00 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1oek s LYS 119 CO 0.00 -1.39 -0.20 0.15 -0.92 0.00 0.00 175.35 172.98 1oek s LYS 120 N -4.31 1.57 0.14 1.68 1.02 -0.99 0.38 119.74 119.22 1oek s LYS 120 Ca 0.66 -1.65 -0.10 0.00 0.02 0.00 0.00 55.97 54.89 1oek s LYS 120 Cb -0.20 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1oek s LYS 120 CO 0.46 0.33 0.29 0.20 -0.92 0.00 0.00 175.35 175.70 1oek s GLY 121 N -3.19 0.26 -0.10 -3.33 0.00 0.13 -4.19 107.32 96.90 1oek s GLY 121 Ca 0.25 -0.69 -0.00 0.00 0.00 0.00 0.00 44.72 44.29 1oek s GLY 121 CO 0.12 -0.74 -0.07 0.14 0.00 0.00 0.00 173.10 172.55 1oek s VAL 122 N -3.92 0.95 -0.27 1.40 1.01 -1.26 0.59 120.40 118.91 1oek s VAL 122 Ca 0.12 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1oek s VAL 122 Cb 0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1oek s VAL 122 CO -0.04 0.35 0.44 -0.13 0.00 0.00 0.00 175.10 175.71 1oek s ARG 123 N 1.54 4.04 -0.35 2.72 1.81 -0.22 -4.56 118.95 123.93 1oek s ARG 123 Ca 0.01 0.17 -0.18 0.00 -1.72 0.00 0.00 55.73 54.01 1oek s ARG 123 Cb -0.13 -3.65 -0.00 0.00 -0.45 0.00 0.00 34.95 30.71 1oek s ARG 123 CO -0.06 -0.31 0.51 0.71 -0.68 0.00 0.00 175.30 175.47 1oek s TYR 124 N 2.18 3.18 0.04 -0.53 2.02 0.10 -1.35 117.35 122.99 1oek s TYR 124 Ca 0.18 0.18 -0.09 0.00 -0.37 0.00 0.00 57.07 56.97 1oek s TYR 124 Cb -0.16 -2.91 -0.05 0.00 -0.40 0.00 0.00 41.96 38.44 1oek s TYR 124 CO 0.10 -0.53 0.34 -0.51 -1.57 0.00 0.00 175.55 173.38 1oek s LEU 125 N 2.37 4.37 0.17 -1.29 1.02 0.29 -1.45 118.68 124.16 1oek s LEU 125 Ca 0.18 0.71 0.03 0.00 0.02 0.00 0.00 54.13 55.07 1oek s LEU 125 Cb -0.15 -2.79 -0.05 0.00 0.02 0.00 0.00 46.19 43.22 1oek s LEU 125 CO 0.13 0.23 -0.03 -0.36 0.02 0.00 0.00 176.35 176.34 1oek s PHE 126 N -1.32 1.24 -0.05 0.29 0.08 -0.60 -1.31 117.98 116.31 1oek s PHE 126 Ca 0.29 -0.93 -0.06 0.00 0.12 0.00 0.00 56.93 56.35 1oek s PHE 126 Cb -0.14 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1oek s PHE 126 CO 0.16 -0.11 0.16 -2.00 -0.10 0.00 0.00 175.22 173.33 1oek s GLU 127 N -3.86 0.22 -0.42 0.44 2.12 -0.90 -2.04 118.70 114.26 1oek s GLU 127 Ca 0.21 0.15 -0.24 0.00 0.36 0.00 0.00 54.97 55.45 1oek s GLU 127 Cb 0.05 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.57 1oek s GLU 127 CO 0.03 -0.03 0.86 0.00 -0.54 0.00 0.00 175.26 175.58 1oek n LYS 129 N 6.83 4.32 -3.26 0.00 5.02 -1.26 -4.90 118.16 124.90 1oek n LYS 129 Ca 0.05 -3.12 -0.41 0.00 -2.02 0.00 0.00 58.31 52.80 1oek n LYS 129 Cb 0.48 -2.22 -0.08 0.00 -0.02 0.00 0.00 35.03 33.20 1oek n LYS 129 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1oek s ASP 130 N -0.99 6.29 0.26 4.39 -1.08 -1.26 -4.93 116.67 119.34 1oek s ASP 130 Ca 0.54 -0.13 -0.05 0.00 -0.52 0.00 0.00 52.55 52.38 1oek s ASP 130 Cb 0.42 -2.26 0.29 0.00 -1.46 0.00 0.00 42.92 39.92 1oek s ASP 130 CO 0.14 -0.49 1.94 1.55 0.52 0.00 0.00 175.17 178.83 1oek h PRO 131 N 8.51 1.28 0.00 4.34 0.13 -2.04 -3.20 132.00 141.02 1oek h PRO 131 Ca -0.28 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1oek h PRO 131 Cb 1.12 -0.29 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1oek h PRO 131 CO 0.77 0.85 -1.08 0.39 -0.23 0.00 0.00 178.00 178.70 1oek n GLU 132 N -4.39 0.55 -1.27 0.86 4.71 -1.26 -4.87 120.64 114.97 1oek n GLU 132 Ca 0.11 0.07 -0.31 0.00 -0.01 0.00 0.00 57.16 57.02 1oek n GLU 132 Cb 0.01 -1.75 0.09 0.00 -1.01 0.00 0.00 31.44 28.78 1oek n GLU 132 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1oek s SER 133 N -5.00 4.42 -0.13 1.62 0.15 -1.21 -4.99 113.70 108.56 1oek s SER 133 Ca -0.00 1.90 0.18 0.00 0.70 0.00 0.00 55.95 58.73 1oek s SER 133 Cb 0.11 -2.53 0.30 0.00 -1.71 0.00 0.00 66.02 62.19 1oek s SER 133 CO 0.80 -2.10 1.17 0.29 1.20 0.00 0.00 173.24 174.60 1oek n LYS 134 N -3.43 1.46 -1.32 5.44 4.01 -1.26 -4.98 118.16 118.07 1oek n LYS 134 Ca 0.10 -2.57 -0.30 0.00 -0.51 0.00 0.00 58.31 55.03 1oek n LYS 134 Cb 0.53 -1.51 0.13 0.00 -0.51 0.00 0.00 35.03 33.66 1oek n LYS 134 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1oek s ALA 135 N -2.82 1.69 0.57 7.82 0.00 -1.26 -4.92 121.76 122.84 1oek s ALA 135 Ca 0.32 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 1oek s ALA 135 Cb 0.28 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1oek s ALA 135 CO 0.03 -2.23 1.27 -2.30 0.00 0.00 0.00 175.76 172.53 1oek n PRO 136 N -3.78 1.44 0.01 0.00 -0.02 -1.26 -4.89 135.00 126.49 1oek n PRO 136 Ca 0.07 0.54 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 1oek n PRO 136 Cb 0.56 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 1oek n PRO 136 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1oek h LYS 137 N 1.12 0.61 -5.38 -0.52 3.64 -1.68 -3.42 116.57 110.95 1oek h LYS 137 Ca -0.50 -0.60 -0.66 0.00 -1.27 0.00 0.00 60.65 57.62 1oek h LYS 137 Cb 1.32 0.16 -0.27 0.00 -0.41 0.00 0.00 32.23 33.03 1oek h LYS 137 CO 0.55 1.21 -0.77 0.71 -2.27 0.00 0.00 179.45 178.89 1oek s TYR 138 N -3.42 2.79 0.09 1.91 2.02 0.67 -0.11 117.35 121.30 1oek s TYR 138 Ca -0.11 -0.63 0.04 0.00 -0.37 0.00 0.00 57.07 56.00 1oek s TYR 138 Cb 0.06 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1oek s TYR 138 CO 0.88 -0.20 -0.12 0.96 -1.57 0.00 0.00 175.55 175.50 1oek s ILE 139 N 0.29 1.04 -0.12 2.71 -4.36 -0.87 -1.33 121.20 118.56 1oek s ILE 139 Ca -0.10 -1.48 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1oek s ILE 139 Cb -0.16 -1.22 0.06 0.00 1.25 0.00 0.00 42.46 42.39 1oek s ILE 139 CO 0.06 -0.40 0.16 -1.10 0.24 0.00 0.00 174.94 173.90 1oek s GLN 140 N -2.28 0.07 0.10 0.37 -0.21 -0.17 -1.55 119.66 115.98 1oek s GLN 140 Ca 0.02 0.41 -0.27 0.00 0.02 0.00 0.00 55.36 55.54 1oek s GLN 140 Cb -0.06 -0.65 -0.06 0.00 1.00 0.00 0.00 33.01 33.23 1oek s GLN 140 CO 0.01 -0.42 0.86 -0.06 -2.12 0.00 0.00 175.29 173.56 1oek s PHE 141 N 2.28 3.81 -0.06 0.91 0.08 -0.53 -0.46 117.98 124.00 1oek s PHE 141 Ca 0.04 1.66 0.01 0.00 0.12 0.00 0.00 56.93 58.76 1oek s PHE 141 Cb -0.13 -2.92 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1oek s PHE 141 CO -0.07 0.29 -0.08 0.45 -0.10 0.00 0.00 175.22 175.71 1oek s SER 142 N -0.26 1.42 -0.01 1.36 0.15 -0.37 -0.72 113.70 115.28 1oek s SER 142 Ca 0.42 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.86 1oek s SER 142 Cb -0.22 -0.65 0.02 0.00 -1.71 0.00 0.00 66.02 63.46 1oek s SER 142 CO 0.27 -0.02 1.00 -0.90 1.20 0.00 0.00 173.24 174.79 1oek n ASP 143 N 4.02 0.18 -0.44 5.45 5.75 -1.26 0.11 116.55 130.37 1oek n ASP 143 Ca -0.23 -2.06 -0.06 0.00 -0.01 0.00 0.00 54.79 52.43 1oek n ASP 143 Cb 0.51 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 1oek n ASP 143 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1oek n HIS 144 N -0.11 0.00 -4.87 2.11 8.25 -1.26 -4.90 115.22 114.43 1oek n HIS 144 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 1oek n HIS 144 Cb 0.69 -1.47 -0.14 0.00 1.12 0.00 0.00 29.99 30.19 1oek n HIS 144 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1oek s ILE 145 N -2.04 2.23 -0.17 1.59 1.01 -1.26 -3.80 121.20 118.75 1oek s ILE 145 Ca 0.00 -1.37 0.15 0.00 0.00 0.00 0.00 60.65 59.43 1oek s ILE 145 Cb 0.00 -1.88 0.31 0.00 0.01 0.00 0.00 42.46 40.90 1oek s ILE 145 CO 0.00 0.36 1.20 2.30 0.00 0.00 0.00 174.94 178.80 1oek n ILE 146 N 1.74 1.80 -3.59 2.92 -5.35 -1.26 -4.83 119.36 110.79 1oek n ILE 146 Ca -0.17 -1.90 -0.07 0.00 -0.27 0.00 0.00 62.75 60.34 1oek n ILE 146 Cb 0.52 -0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.29 1oek n ILE 146 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oek s ALA 147 N -2.47 -2.01 0.23 -1.28 0.00 -1.26 0.63 121.76 115.61 1oek s ALA 147 Ca 0.29 1.64 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 1oek s ALA 147 Cb 0.24 -0.75 -0.14 0.00 0.00 0.00 0.00 23.12 22.47 1oek s ALA 147 CO 0.05 -0.37 1.24 -2.30 0.00 0.00 0.00 175.76 174.38 1oek n PRO 148 N 0.44 1.61 0.00 0.00 -0.02 -1.26 -4.92 135.00 130.84 1oek n PRO 148 Ca -0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1oek n PRO 148 Cb 0.59 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1oek n PRO 148 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1oek n ARG 149 N 1.62 0.00 -2.52 -0.52 0.63 -1.26 -5.14 116.66 109.47 1oek n ARG 149 Ca 0.12 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.64 1oek n ARG 149 Cb 0.29 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.16 1oek n ARG 149 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1oek s LYS 150 N -0.98 4.60 0.78 -0.14 -0.14 -1.26 -4.72 119.74 117.88 1oek s LYS 150 Ca 0.00 1.71 -0.11 0.00 -1.36 0.00 0.00 55.97 56.21 1oek s LYS 150 Cb 0.00 -3.27 0.06 0.00 -1.68 0.00 0.00 37.83 32.94 1oek s LYS 150 CO 0.00 0.09 1.08 0.45 -0.76 0.00 0.00 175.35 176.22 1oek s SER 151 N -0.16 4.54 -0.00 2.83 0.15 0.80 -4.97 113.70 116.90 1oek s SER 151 Ca 0.49 1.54 0.05 0.00 0.70 0.00 0.00 55.95 58.74 1oek s SER 151 Cb -0.29 -2.30 -0.06 0.00 -1.71 0.00 0.00 66.02 61.65 1oek s SER 151 CO 0.35 -1.97 0.22 -1.20 1.20 0.00 0.00 173.24 171.85 1oek n SER 152 N -3.46 0.61 0.00 5.45 7.64 -1.26 -4.99 113.62 117.61 1oek n SER 152 Ca 0.08 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1oek n SER 152 Cb 0.55 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 1oek n SER 152 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oek n HIS 153 N -1.19 0.00 -3.71 1.43 1.44 -1.26 -4.48 115.22 107.45 1oek n HIS 153 Ca 0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.61 1oek n HIS 153 Cb 0.09 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.14 1oek n HIS 153 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1oek s PHE 154 N -2.00 -0.13 -0.13 -1.40 -0.12 -0.50 -4.83 117.98 108.88 1oek s PHE 154 Ca 0.00 -0.10 -0.13 0.00 -0.05 0.00 0.00 56.93 56.65 1oek s PHE 154 Cb 0.00 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 1oek s PHE 154 CO 0.00 -0.59 0.31 -1.01 -0.05 0.00 0.00 175.22 173.88 1oek s HIS 155 N -3.16 3.52 -0.05 3.49 3.76 0.12 -0.47 115.29 122.50 1oek s HIS 155 Ca -0.01 0.67 0.05 0.00 -0.15 0.00 0.00 55.06 55.62 1oek s HIS 155 Cb 0.01 -2.30 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 1oek s HIS 155 CO -0.07 0.36 -0.17 -1.50 -0.85 0.00 0.00 174.74 172.50 1oek s ILE 156 N 0.05 2.82 -0.14 0.60 2.07 -0.81 -1.23 121.20 124.56 1oek s ILE 156 Ca 0.18 -0.81 -0.06 0.00 -1.41 0.00 0.00 60.65 58.55 1oek s ILE 156 Cb -0.14 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.34 1oek s ILE 156 CO 0.06 0.59 0.06 -0.36 -1.91 0.00 0.00 174.94 173.37 1oek s PHE 157 N -0.66 3.30 0.01 3.50 0.08 0.39 -3.99 117.98 120.61 1oek s PHE 157 Ca 0.10 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.36 1oek s PHE 157 Cb -0.11 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1oek s PHE 157 CO 0.00 0.37 -0.02 0.00 -0.10 0.00 0.00 175.22 175.48 1oek s MET 158 N -0.31 0.15 0.17 0.44 0.23 -1.26 -1.00 119.30 117.71 1oek s MET 158 Ca 0.08 -0.21 -0.23 0.00 -1.03 0.00 0.00 55.69 54.31 1oek s MET 158 Cb -0.12 -0.03 0.08 0.00 -1.53 0.00 0.00 34.83 33.23 1oek s MET 158 CO 0.02 0.00 1.04 0.20 -2.03 0.00 0.00 175.02 174.25 1oek s GLY 159 N -0.46 0.05 0.00 3.16 0.00 -0.44 -5.01 107.32 104.62 1oek s GLY 159 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1oek s GLY 159 CO -0.00 2.12 0.16 0.70 0.00 0.00 0.00 173.10 176.08 1oek n ASN 160 N -1.11 0.32 0.00 1.64 3.02 -1.26 -0.24 115.26 117.63 1oek n ASN 160 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1oek n ASN 160 Cb 0.60 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 1oek n ASN 160 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1oek n ASP 161 N -0.46 0.00 -0.97 6.41 -0.08 -1.26 -4.88 116.55 115.30 1oek n ASP 161 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1oek n ASP 161 Cb 0.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.48 1oek n ASP 161 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1oek n SER 162 N 0.00 0.54 -0.08 1.67 3.41 -1.26 -5.02 113.62 112.88 1oek n SER 162 Ca 0.00 -0.77 -0.16 0.00 -0.26 0.00 0.00 58.87 57.69 1oek n SER 162 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1oek n SER 162 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1oek h GLN 163 N 0.00 0.00 -0.59 4.33 1.08 -1.97 -3.34 115.11 114.62 1oek h GLN 163 Ca 0.00 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 1oek h GLN 163 Cb 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.32 1oek h GLN 163 CO 0.00 1.00 -0.15 0.37 -0.95 0.00 0.00 178.83 179.09 1oek h GLN 164 N -1.00 -0.01 -0.33 1.46 5.75 -1.98 -0.15 115.11 118.86 1oek h GLN 164 Ca -0.08 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1oek h GLN 164 Cb 1.06 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.54 1oek h GLN 164 CO -0.05 -0.00 -0.53 0.66 -2.65 0.00 0.00 178.83 176.26 1oek h SER 165 N -0.01 -1.75 -0.82 -0.69 4.64 -1.98 0.53 113.55 113.48 1oek h SER 165 Ca 0.28 0.23 0.20 0.00 -0.47 0.00 0.00 61.79 62.03 1oek h SER 165 Cb 0.44 0.71 -0.13 0.00 -0.31 0.00 0.00 62.40 63.11 1oek h SER 165 CO -0.61 -0.42 0.21 -0.07 -0.87 0.00 0.00 176.83 175.07 1oek h LEU 166 N -0.44 0.00 -2.37 5.97 3.38 -1.33 0.99 115.31 121.51 1oek h LEU 166 Ca 0.07 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1oek h LEU 166 Cb 0.62 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1oek h LEU 166 CO -0.55 -0.09 0.18 -0.07 0.09 0.00 0.00 178.44 178.00 1oek h LEU 167 N 0.24 0.00 0.11 1.67 3.38 0.78 -0.64 115.31 120.85 1oek h LEU 167 Ca 0.49 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.15 1oek h LEU 167 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1oek h LEU 167 CO -0.59 0.00 -1.56 0.78 0.09 0.00 0.00 178.44 177.17 1oek h ASN 168 N 0.00 0.37 -2.69 -0.43 2.35 0.23 -3.45 115.58 111.96 1oek h ASN 168 Ca 0.04 -0.53 -0.54 0.00 -0.55 0.00 0.00 56.30 54.73 1oek h ASN 168 Cb 0.40 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.67 1oek h ASN 168 CO -0.00 1.44 1.00 -0.70 -1.65 0.00 0.00 177.43 177.52 1oek s GLU 169 N -2.61 4.20 0.00 0.81 2.56 -0.25 -4.81 118.70 118.60 1oek s GLU 169 Ca -0.09 2.29 0.00 0.00 0.00 0.00 0.00 54.97 57.17 1oek s GLU 169 Cb 0.07 -3.65 0.00 0.00 2.00 0.00 0.00 34.13 32.55 1oek s GLU 169 CO 0.85 -0.74 0.67 -1.33 -0.56 0.00 0.00 175.26 174.15 1oek n MET 170 N 5.77 1.17 -0.11 4.30 2.81 -1.26 -4.84 117.12 124.96 1oek n MET 170 Ca 0.16 -0.88 -0.24 0.00 -1.81 0.00 0.00 57.70 54.93 1oek n MET 170 Cb 0.41 -0.77 -0.11 0.00 -0.71 0.00 0.00 33.22 32.04 1oek n MET 170 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1oek n GLU 171 N -0.21 0.60 -5.03 0.03 0.28 -1.26 -4.94 120.64 110.11 1oek n GLU 171 Ca 0.00 0.40 -0.32 0.00 -0.16 0.00 0.00 57.16 57.07 1oek n GLU 171 Cb 0.32 -1.63 -0.15 0.00 1.43 0.00 0.00 31.44 31.40 1oek n GLU 171 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1oek s ASN 172 N -7.08 3.56 -0.47 -1.84 3.04 -1.26 -3.90 114.94 106.99 1oek s ASN 172 Ca -0.32 -0.41 0.06 0.00 0.04 0.00 0.00 52.86 52.23 1oek s ASN 172 Cb 0.09 -1.23 0.19 0.00 -1.54 0.00 0.00 41.25 38.76 1oek s ASN 172 CO 0.58 0.22 0.57 -2.67 -3.04 0.00 0.00 177.10 172.76 1oek n TRP 173 N 3.17 -2.47 -1.57 0.43 4.27 0.12 -4.92 117.44 116.47 1oek n TRP 173 Ca -0.18 -2.28 -0.57 0.00 -3.89 0.00 0.00 57.50 50.58 1oek n TRP 173 Cb 0.52 0.91 -0.07 0.00 -1.36 0.00 0.00 31.31 31.31 1oek n TRP 173 CO 0.00 0.00 0.00 -2.30 -2.29 0.00 0.00 177.69 173.10 1oek n PRO 174 N 2.73 0.54 -4.93 -2.67 -0.02 -1.22 -4.46 135.00 124.97 1oek n PRO 174 Ca 0.22 0.20 -0.28 0.00 -2.02 0.00 0.00 63.50 61.62 1oek n PRO 174 Cb 0.53 -1.77 -0.16 0.00 -0.02 0.00 0.00 33.50 32.08 1oek n PRO 174 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1oek s THR 175 N 0.72 1.58 -0.09 3.45 2.01 -1.26 -1.92 115.64 120.13 1oek s THR 175 Ca 0.90 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 62.15 1oek s THR 175 Cb -1.15 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1oek s THR 175 CO 0.56 0.45 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.41 1oek s TYR 176 N 0.08 2.35 0.33 4.92 2.02 0.38 -1.61 117.35 125.82 1oek s TYR 176 Ca -0.06 -0.94 0.09 0.00 -0.37 0.00 0.00 57.07 55.79 1oek s TYR 176 Cb -0.13 -1.59 -0.05 0.00 -0.40 0.00 0.00 41.96 39.79 1oek s TYR 176 CO 0.03 -0.38 0.04 0.71 -1.57 0.00 0.00 175.55 174.37 1oek s TYR 177 N 0.37 2.59 0.61 2.71 2.02 -0.79 -1.41 117.35 123.45 1oek s TYR 177 Ca -0.17 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 55.93 1oek s TYR 177 Cb -0.17 -1.49 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1oek s TYR 177 CO 0.08 0.46 1.30 -2.14 -1.57 0.00 0.00 175.55 173.67 1oek s PRO 178 N -3.74 2.76 0.11 -1.71 0.02 -1.26 0.09 135.00 131.28 1oek s PRO 178 Ca 0.35 2.07 -0.14 0.00 0.02 0.00 0.00 61.00 63.30 1oek s PRO 178 Cb -0.01 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1oek s PRO 178 CO 0.20 -1.44 1.46 -0.92 -0.33 0.00 0.00 177.00 175.97 1oek h TYR 179 N 0.82 0.91 -0.47 6.54 3.20 -1.52 -3.02 116.97 123.43 1oek h TYR 179 Ca -0.51 -0.25 0.06 0.00 3.14 0.00 0.00 58.73 61.17 1oek h TYR 179 Cb 1.32 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 1oek h TYR 179 CO 0.43 1.01 -0.21 0.94 -1.64 0.00 0.00 178.16 178.69 1oek n GLN 180 N -4.24 -0.14 -1.95 1.82 -0.06 -1.26 -4.67 117.38 106.89 1oek n GLN 180 Ca -0.03 0.72 -0.41 0.00 -2.00 0.00 0.00 57.00 55.28 1oek n GLN 180 Cb 0.46 -1.07 -0.01 0.00 -4.06 0.00 0.00 30.24 25.56 1oek n GLN 180 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1oek s LEU 181 N -9.33 4.37 0.95 1.69 1.43 -1.14 -5.01 118.68 111.63 1oek s LEU 181 Ca -0.06 2.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 1oek s LEU 181 Cb 0.08 -3.66 0.16 0.00 0.03 0.00 0.00 46.19 42.80 1oek s LEU 181 CO 0.32 -0.72 1.09 -0.94 0.23 0.00 0.00 176.35 176.33 1oek s SER 182 N -0.30 2.98 0.17 2.29 1.04 -1.26 -4.87 113.70 113.76 1oek s SER 182 Ca 0.51 1.49 -0.14 0.00 0.48 0.00 0.00 55.95 58.29 1oek s SER 182 Cb -0.43 -2.16 0.09 0.00 0.10 0.00 0.00 66.02 63.62 1oek s SER 182 CO 0.58 -2.95 1.81 0.77 0.98 0.00 0.00 173.24 174.44 1oek h SER 183 N -1.76 0.46 -0.82 7.02 4.64 -1.98 -1.03 113.55 120.07 1oek h SER 183 Ca -0.51 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 60.86 1oek h SER 183 Cb 1.30 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 1oek h SER 183 CO 0.54 0.33 0.52 -0.33 -0.87 0.00 0.00 176.83 177.01 1oek h GLU 184 N 0.58 0.95 -0.64 4.77 3.07 -1.95 -1.75 114.58 119.61 1oek h GLU 184 Ca 0.20 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1oek h GLU 184 Cb 0.03 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 1oek h GLU 184 CO -0.10 0.63 0.12 0.93 -1.40 0.00 0.00 179.01 179.20 1oek h GLU 185 N 0.98 1.03 -0.33 2.33 5.08 -1.80 -2.56 114.58 119.32 1oek h GLU 185 Ca 0.34 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1oek h GLU 185 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1oek h GLU 185 CO -0.14 0.93 0.07 0.28 -1.00 0.00 0.00 179.01 179.16 1oek h VAL 186 N 0.97 1.22 0.03 3.13 2.07 -0.34 -2.77 116.25 120.56 1oek h VAL 186 Ca 0.20 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1oek h VAL 186 Cb 0.39 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1oek h VAL 186 CO 0.01 0.25 -0.01 0.58 0.02 0.00 0.00 177.57 178.42 1oek h VAL 187 N 0.37 1.23 -0.71 2.57 2.07 -1.39 -1.96 116.25 118.42 1oek h VAL 187 Ca 0.10 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1oek h VAL 187 Cb 0.31 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.76 1oek h VAL 187 CO 0.00 0.21 -0.39 -0.62 0.02 0.00 0.00 177.57 176.78 1oek n GLU 188 N -4.94 -0.29 -0.26 1.57 1.02 -0.97 0.10 120.64 116.87 1oek n GLU 188 Ca -0.08 1.08 0.01 0.00 -0.02 0.00 0.00 57.16 58.15 1oek n GLU 188 Cb 0.20 -1.59 0.14 0.00 -0.02 0.00 0.00 31.44 30.17 1oek n GLU 188 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1oek h GLU 189 N 0.00 0.65 0.00 3.49 4.22 -1.29 -2.19 114.58 119.47 1oek h GLU 189 Ca 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1oek h GLU 189 Cb 0.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1oek h GLU 189 CO -0.68 0.43 0.00 -1.33 -2.18 0.00 0.00 179.01 175.26 1oek n MET 190 N -4.81 0.93 -0.10 1.92 0.00 0.11 -3.03 117.12 112.14 1oek n MET 190 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.65 1oek n MET 190 Cb 0.26 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.92 1oek n MET 190 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1oek n MET 191 N -1.01 0.53 -0.93 0.03 2.81 -0.59 -4.59 117.12 113.37 1oek n MET 191 Ca 0.22 0.39 -0.35 0.00 -1.81 0.00 0.00 57.70 56.16 1oek n MET 191 Cb 0.11 -1.59 -0.05 0.00 -0.71 0.00 0.00 33.22 30.98 1oek n MET 191 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1oek n SER 192 N -4.44 3.01 0.00 7.83 7.64 -0.85 -5.12 113.62 121.69 1oek n SER 192 Ca -0.27 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1oek n SER 192 Cb 0.59 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1oek n SER 192 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60