#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eal s ALA 8 N 0.00 3.03 0.65 1.69 0.00 -1.26 -4.45 121.76 121.42 2eal s ALA 8 Ca 0.00 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 2eal s ALA 8 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2eal s ALA 8 CO 0.00 -0.61 1.07 -1.25 0.00 0.00 0.00 175.76 174.97 2eal s PRO 9 N -2.57 3.05 -0.20 0.00 0.04 -1.26 -4.87 135.00 129.18 2eal s PRO 9 Ca 0.61 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 62.57 2eal s PRO 9 Cb -0.29 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 2eal s PRO 9 CO 0.36 -1.02 0.76 0.71 0.04 0.00 0.00 177.00 177.84 2eal s TYR 10 N -2.65 3.37 -0.17 0.56 2.02 -0.22 -4.94 117.35 115.33 2eal s TYR 10 Ca 0.62 1.11 -0.05 0.00 -0.37 0.00 0.00 57.07 58.38 2eal s TYR 10 Cb -0.16 -2.95 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2eal s TYR 10 CO 0.44 -0.26 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.64 2eal s LEU 11 N 2.25 3.37 -1.53 -1.29 1.43 -1.26 -1.25 118.68 120.40 2eal s LEU 11 Ca 0.34 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2eal s LEU 11 Cb -0.16 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2eal s LEU 11 CO 0.10 0.16 0.18 -1.20 0.23 0.00 0.00 176.35 175.82 2eal n SER 12 N 3.63 0.30 -4.78 2.29 7.64 0.26 -4.91 113.62 118.03 2eal n SER 12 Ca -0.17 -1.19 -0.37 0.00 1.01 0.00 0.00 58.87 58.15 2eal n SER 12 Cb 0.52 -2.05 -0.04 0.00 -1.01 0.00 0.00 64.21 61.63 2eal n SER 12 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2eal s PRO 13 N -7.12 4.12 0.54 1.43 0.04 -1.26 -5.00 135.00 127.76 2eal s PRO 13 Ca 0.07 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 2eal s PRO 13 Cb -0.04 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 2eal s PRO 13 CO 0.97 -0.19 1.23 0.00 0.04 0.00 0.00 177.00 179.05 2eal s ALA 14 N -1.63 2.73 -0.10 8.56 0.00 -1.26 -4.32 121.76 125.74 2eal s ALA 14 Ca 0.58 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 2eal s ALA 14 Cb -0.23 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 2eal s ALA 14 CO 0.29 -1.05 -0.00 0.14 0.00 0.00 0.00 175.76 175.14 2eal s VAL 15 N -1.52 4.27 0.38 0.00 -7.23 -1.26 -3.34 120.40 111.69 2eal s VAL 15 Ca 0.72 -0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 60.38 2eal s VAL 15 Cb -0.32 -2.81 -0.09 0.00 0.56 0.00 0.00 36.38 33.72 2eal s VAL 15 CO 0.36 0.58 1.14 -2.16 -0.31 0.00 0.00 175.10 174.71 2eal s PRO 16 N -0.59 4.17 0.10 4.82 0.04 -1.26 -4.98 135.00 137.30 2eal s PRO 16 Ca 0.10 1.78 0.09 0.00 0.04 0.00 0.00 61.00 63.01 2eal s PRO 16 Cb -0.12 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 2eal s PRO 16 CO 0.02 -0.20 -0.24 0.12 0.04 0.00 0.00 177.00 176.74 2eal s PHE 17 N -1.42 2.06 -0.03 0.56 5.36 -0.24 -4.99 117.98 119.28 2eal s PHE 17 Ca 0.55 -0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 56.12 2eal s PHE 17 Cb -0.29 -1.14 0.03 0.00 -0.34 0.00 0.00 43.02 41.28 2eal s PHE 17 CO 0.37 0.25 0.06 0.45 -1.46 0.00 0.00 175.22 174.89 2eal s SER 18 N -1.85 0.18 -0.00 6.13 0.15 -1.26 -0.87 113.70 116.17 2eal s SER 18 Ca 0.10 0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.80 2eal s SER 18 Cb -0.10 -0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2eal s SER 18 CO 0.05 -0.15 0.10 -0.83 1.20 0.00 0.00 173.24 173.61 2eal s GLY 19 N 1.26 0.05 0.29 9.45 0.00 0.28 -5.00 107.32 113.65 2eal s GLY 19 Ca -0.07 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 2eal s GLY 19 CO -0.04 -0.22 1.24 -1.59 0.00 0.00 0.00 173.10 172.49 2eal s THR 20 N -1.09 3.08 -0.57 0.90 2.01 -1.26 -0.76 115.64 117.95 2eal s THR 20 Ca -0.12 1.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.74 2eal s THR 20 Cb -0.07 -3.66 0.10 0.00 0.01 0.00 0.00 72.50 68.88 2eal s THR 20 CO 0.01 0.23 0.65 -0.63 -0.69 0.00 0.00 174.62 174.19 2eal s ILE 21 N -0.90 4.90 0.12 1.82 1.01 0.54 -4.82 121.20 123.85 2eal s ILE 21 Ca 0.49 -0.99 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 2eal s ILE 21 Cb -0.36 -4.43 -0.10 0.00 0.01 0.00 0.00 42.46 37.58 2eal s ILE 21 CO 0.46 -1.02 1.77 -1.10 0.00 0.00 0.00 174.94 175.05 2eal s GLN 22 N 2.49 4.15 0.00 2.79 -0.21 -1.26 -1.11 119.66 126.52 2eal s GLN 22 Ca 0.11 2.52 0.00 0.00 0.02 0.00 0.00 55.36 58.01 2eal s GLN 22 Cb -0.24 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.22 2eal s GLN 22 CO 0.07 -0.80 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 2eal n GLY 23 N 4.14 1.50 0.27 3.09 0.00 -1.26 -4.91 105.19 108.01 2eal n GLY 23 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 2eal n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eal n GLY 24 N -2.00 -1.80 3.77 -0.02 0.00 -0.27 -4.81 105.19 100.07 2eal n GLY 24 Ca 0.00 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 2eal n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eal s LEU 25 N -4.42 4.41 0.03 0.99 1.43 -0.71 -5.01 118.68 115.40 2eal s LEU 25 Ca 0.00 2.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.80 2eal s LEU 25 Cb 0.00 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 2eal s LEU 25 CO 0.00 -0.55 -0.07 -1.10 0.23 0.00 0.00 176.35 174.86 2eal s GLN 26 N -1.82 0.52 0.12 1.70 -1.52 -1.26 -4.37 119.66 113.02 2eal s GLN 26 Ca 0.49 -0.57 -0.35 0.00 -1.95 0.00 0.00 55.36 52.98 2eal s GLN 26 Cb -0.39 -0.37 -0.15 0.00 -0.22 0.00 0.00 33.01 31.87 2eal s GLN 26 CO 0.52 0.08 1.46 -3.47 -0.25 0.00 0.00 175.29 173.63 2eal n ASP 27 N 1.98 2.34 0.00 5.90 -0.08 -1.26 -1.63 116.55 123.80 2eal n ASP 27 Ca -0.19 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 2eal n ASP 27 Cb 0.56 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.71 2eal n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2eal n GLY 28 N 2.96 1.44 3.76 0.27 0.00 0.67 -5.00 105.19 109.30 2eal n GLY 28 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2eal n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eal s LEU 29 N 0.00 4.43 -0.17 0.99 2.96 -0.65 -4.75 118.68 121.50 2eal s LEU 29 Ca 0.00 2.62 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 2eal s LEU 29 Cb 0.00 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2eal s LEU 29 CO 0.00 -0.51 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.23 2eal s GLN 30 N -1.44 3.06 -0.18 1.98 -0.21 -1.26 -1.11 119.66 120.49 2eal s GLN 30 Ca 0.50 -0.81 -0.00 0.00 0.02 0.00 0.00 55.36 55.07 2eal s GLN 30 Cb -0.39 -2.58 0.01 0.00 1.00 0.00 0.00 33.01 31.05 2eal s GLN 30 CO 0.49 -0.13 -0.16 0.42 -2.12 0.00 0.00 175.29 173.80 2eal s ILE 31 N 1.12 2.46 -0.13 1.08 1.09 0.11 -4.21 121.20 122.72 2eal s ILE 31 Ca 0.01 -0.81 -0.05 0.00 -1.10 0.00 0.00 60.65 58.70 2eal s ILE 31 Cb -0.14 -2.05 -0.04 0.00 -1.06 0.00 0.00 42.46 39.17 2eal s ILE 31 CO -0.08 0.51 0.03 -0.89 -0.10 0.00 0.00 174.94 174.41 2eal s THR 32 N 1.21 4.52 -0.20 2.92 2.01 -0.43 -0.62 115.64 125.05 2eal s THR 32 Ca 0.02 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.88 2eal s THR 32 Cb -0.14 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.43 2eal s THR 32 CO -0.08 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 2eal s VAL 33 N -0.27 2.24 -0.09 3.82 1.01 0.12 -1.04 120.40 126.19 2eal s VAL 33 Ca 0.07 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2eal s VAL 33 Cb -0.12 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2eal s VAL 33 CO 0.02 0.44 -0.19 0.21 0.00 0.00 0.00 175.10 175.58 2eal s ASN 34 N 1.29 2.58 0.00 3.32 3.84 -0.33 -0.55 114.94 125.08 2eal s ASN 34 Ca 0.03 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.64 2eal s ASN 34 Cb -0.14 -1.18 0.00 0.00 -0.55 0.00 0.00 41.25 39.38 2eal s ASN 34 CO -0.11 0.09 0.00 0.61 -2.79 0.00 0.00 177.10 174.91 2eal n GLY 35 N 3.75 1.45 2.86 1.21 0.00 -0.90 -0.85 105.19 112.71 2eal n GLY 35 Ca -0.20 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2eal n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eal s THR 36 N -2.43 0.17 -0.02 2.61 2.01 -0.55 -0.12 115.64 117.31 2eal s THR 36 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 2eal s THR 36 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 2eal s THR 36 CO 0.00 0.10 1.11 -0.69 -0.69 0.00 0.00 174.62 174.45 2eal s VAL 37 N 0.54 4.44 0.62 3.82 1.01 -0.73 -1.22 120.40 128.87 2eal s VAL 37 Ca -0.05 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.53 2eal s VAL 37 Cb -0.08 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 2eal s VAL 37 CO -0.01 0.07 1.07 -0.76 0.00 0.00 0.00 175.10 175.48 2eal s LEU 38 N 1.54 3.43 -0.14 3.92 1.43 -0.26 0.43 118.68 129.04 2eal s LEU 38 Ca 0.54 1.85 0.19 0.00 -1.03 0.00 0.00 54.13 55.69 2eal s LEU 38 Cb -0.24 -4.53 -0.28 0.00 0.03 0.00 0.00 46.19 41.16 2eal s LEU 38 CO 0.25 -1.33 0.21 -1.20 0.23 0.00 0.00 176.35 174.52 2eal n SER 39 N -2.24 0.03 -1.93 2.29 7.64 -1.26 -3.86 113.62 114.29 2eal n SER 39 Ca 0.09 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.93 2eal n SER 39 Cb 0.53 1.35 0.06 0.00 -1.01 0.00 0.00 64.21 65.14 2eal n SER 39 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2eal n SER 40 N -2.57 2.33 -2.71 6.43 3.41 -1.26 -4.84 113.62 114.40 2eal n SER 40 Ca -0.23 -2.79 -0.01 0.00 -0.26 0.00 0.00 58.87 55.58 2eal n SER 40 Cb 0.95 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 2eal n SER 40 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2eal n SER 41 N -0.47 1.71 0.00 4.04 7.64 -1.26 -5.13 113.62 120.15 2eal n SER 41 Ca 0.18 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.95 2eal n SER 41 Cb 0.90 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2eal n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eal n GLY 42 N -0.54 -1.53 0.01 0.23 0.00 -1.26 -4.34 105.19 97.76 2eal n GLY 42 Ca 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2eal n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2eal n THR 43 N -0.04 0.57 -3.78 2.61 -2.24 -1.26 -4.92 114.28 105.23 2eal n THR 43 Ca 0.00 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 2eal n THR 43 Cb 0.00 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 2eal n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2eal s ARG 44 N -0.60 0.53 0.24 -0.78 0.52 -1.26 -0.07 118.95 117.52 2eal s ARG 44 Ca 0.01 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 2eal s ARG 44 Cb 0.01 0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.67 2eal s ARG 44 CO 0.00 -0.12 0.12 -0.59 0.02 0.00 0.00 175.30 174.73 2eal s PHE 45 N -0.76 1.38 0.01 -0.53 -0.12 -0.96 -0.75 117.98 116.26 2eal s PHE 45 Ca -0.08 -1.28 -0.06 0.00 -0.05 0.00 0.00 56.93 55.45 2eal s PHE 45 Cb -0.04 -0.75 -0.00 0.00 -0.63 0.00 0.00 43.02 41.59 2eal s PHE 45 CO 0.02 -0.48 0.12 0.00 -0.05 0.00 0.00 175.22 174.83 2eal s ALA 46 N -3.92 -0.24 -0.16 1.99 0.00 -0.24 -2.82 121.76 116.37 2eal s ALA 46 Ca 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2eal s ALA 46 Cb 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 2eal s ALA 46 CO 0.13 -0.23 -0.15 0.08 0.00 0.00 0.00 175.76 175.60 2eal s VAL 47 N -1.64 2.69 -0.14 0.00 1.01 -0.29 -1.72 120.40 120.32 2eal s VAL 47 Ca -0.13 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2eal s VAL 47 Cb -0.07 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2eal s VAL 47 CO 0.00 0.51 -0.13 0.20 0.00 0.00 0.00 175.10 175.69 2eal s ASN 48 N 0.83 4.01 -0.37 3.32 0.01 0.10 -0.89 114.94 121.95 2eal s ASN 48 Ca -0.05 -0.34 -0.13 0.00 -0.71 0.00 0.00 52.86 51.63 2eal s ASN 48 Cb -0.15 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 39.90 2eal s ASN 48 CO -0.00 0.15 0.25 -0.36 -1.51 0.00 0.00 177.10 175.63 2eal s PHE 49 N 0.44 3.23 0.27 2.20 0.08 0.27 -1.06 117.98 123.41 2eal s PHE 49 Ca -0.10 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.44 2eal s PHE 49 Cb -0.16 -2.50 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2eal s PHE 49 CO 0.05 -0.52 0.16 1.14 -0.10 0.00 0.00 175.22 175.96 2eal s GLN 50 N 1.66 1.48 -0.41 0.44 -2.07 -0.11 -0.34 119.66 120.33 2eal s GLN 50 Ca 0.05 -1.83 -0.11 0.00 -1.82 0.00 0.00 55.36 51.65 2eal s GLN 50 Cb -0.18 0.07 0.06 0.00 -1.09 0.00 0.00 33.01 31.87 2eal s GLN 50 CO 0.09 -0.45 0.26 0.99 -1.32 0.00 0.00 175.29 174.86 2eal s THR 51 N -3.76 4.49 0.00 3.63 2.01 -0.68 -2.00 115.64 119.33 2eal s THR 51 Ca 0.38 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2eal s THR 51 Cb 0.05 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2eal s THR 51 CO 0.17 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 2eal n GLY 52 N 4.99 0.93 0.00 4.40 0.00 -1.26 -4.35 105.19 109.90 2eal n GLY 52 Ca -0.11 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.24 2eal n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2eal n PHE 53 N 3.49 0.00 -1.77 1.61 3.72 -1.26 -4.76 117.46 118.49 2eal n PHE 53 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2eal n PHE 53 Cb 0.00 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 2eal n PHE 53 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2eal s SER 54 N -2.76 6.50 -0.04 4.37 0.15 -1.26 -4.83 113.70 115.82 2eal s SER 54 Ca -0.00 2.59 0.01 0.00 0.70 0.00 0.00 55.95 59.24 2eal s SER 54 Cb 0.08 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 2eal s SER 54 CO 0.49 -1.00 1.00 0.61 1.20 0.00 0.00 173.24 175.53 2eal n GLY 55 N 4.35 2.13 0.09 9.45 0.00 -1.26 -4.01 105.19 115.94 2eal n GLY 55 Ca 0.19 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2eal n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2eal h ASN 56 N 0.17 0.00 -3.77 1.61 -0.26 -1.91 -3.42 115.58 108.00 2eal h ASN 56 Ca 0.05 -0.14 -0.62 0.00 -0.56 0.00 0.00 56.30 55.03 2eal h ASN 56 Cb 1.08 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.94 2eal h ASN 56 CO 0.10 0.07 -0.70 -1.81 -1.06 0.00 0.00 177.43 174.03 2eal s ASP 57 N -4.68 4.02 -0.26 5.81 1.01 -1.26 -0.71 116.67 120.60 2eal s ASP 57 Ca 0.04 -2.60 0.00 0.00 0.71 0.00 0.00 52.55 50.70 2eal s ASP 57 Cb 0.12 -1.27 0.04 0.00 1.01 0.00 0.00 42.92 42.82 2eal s ASP 57 CO 0.74 -0.28 -0.08 -0.63 0.21 0.00 0.00 175.17 175.13 2eal s ILE 58 N 0.33 2.59 0.24 0.77 1.01 0.09 -1.68 121.20 124.55 2eal s ILE 58 Ca 0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.45 2eal s ILE 58 Cb -0.24 -2.41 0.14 0.00 0.01 0.00 0.00 42.46 39.96 2eal s ILE 58 CO -0.03 0.07 1.78 0.00 0.00 0.00 0.00 174.94 176.76 2eal h ALA 59 N 7.92 1.10 -2.35 9.38 0.00 -0.92 0.11 119.26 134.50 2eal h ALA 59 Ca -0.26 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 2eal h ALA 59 Cb 1.08 -0.25 -0.32 0.00 0.00 0.00 0.00 17.79 18.30 2eal h ALA 59 CO 0.53 0.60 -0.52 0.12 0.00 0.00 0.00 179.25 179.98 2eal s PHE 60 N -5.26 -0.57 -0.31 0.00 5.36 -1.10 -4.58 117.98 111.51 2eal s PHE 60 Ca -0.11 0.75 -0.11 0.00 -0.96 0.00 0.00 56.93 56.50 2eal s PHE 60 Cb 0.15 -0.08 -0.02 0.00 -0.34 0.00 0.00 43.02 42.73 2eal s PHE 60 CO 0.82 -0.58 0.19 -1.58 -1.46 0.00 0.00 175.22 172.61 2eal s HIS 61 N 2.46 3.20 -0.31 10.12 5.65 0.25 -0.56 115.29 136.10 2eal s HIS 61 Ca 0.07 -0.24 -0.03 0.00 0.25 0.00 0.00 55.06 55.11 2eal s HIS 61 Cb -0.14 -2.40 0.05 0.00 -1.18 0.00 0.00 32.58 28.90 2eal s HIS 61 CO -0.13 -0.34 0.03 0.12 -0.65 0.00 0.00 174.74 173.77 2eal s PHE 62 N 1.69 3.26 -0.53 3.88 5.36 -0.07 -1.61 117.98 129.96 2eal s PHE 62 Ca 0.06 -1.74 0.04 0.00 -0.96 0.00 0.00 56.93 54.33 2eal s PHE 62 Cb -0.17 -2.15 0.17 0.00 -0.34 0.00 0.00 43.02 40.53 2eal s PHE 62 CO 0.09 -0.78 0.40 1.21 -1.46 0.00 0.00 175.22 174.68 2eal s ASN 63 N 1.30 2.82 0.25 6.13 2.47 0.40 -1.14 114.94 127.17 2eal s ASN 63 Ca -0.04 -3.39 -0.30 0.00 0.42 0.00 0.00 52.86 49.55 2eal s ASN 63 Cb -0.20 -0.93 -0.10 0.00 -1.45 0.00 0.00 41.25 38.57 2eal s ASN 63 CO -0.00 -0.14 1.48 -2.84 -3.72 0.00 0.00 177.10 171.89 2eal s PRO 64 N -0.56 4.23 -0.18 0.43 0.02 -1.13 -1.52 135.00 136.29 2eal s PRO 64 Ca 0.30 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.68 2eal s PRO 64 Cb 0.00 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.46 2eal s PRO 64 CO -0.18 -0.48 -0.11 1.03 -0.33 0.00 0.00 177.00 176.93 2eal s ARG 65 N -0.25 2.03 -1.35 5.54 0.52 0.55 -2.26 118.95 123.73 2eal s ARG 65 Ca 0.61 -0.70 -0.10 0.00 -0.52 0.00 0.00 55.73 55.02 2eal s ARG 65 Cb -0.43 -2.25 0.12 0.00 0.52 0.00 0.00 34.95 32.91 2eal s ARG 65 CO 0.43 -0.37 2.09 1.19 0.02 0.00 0.00 175.30 178.66 2eal n PHE 66 N 4.74 2.98 -3.77 -0.53 3.72 0.89 -1.68 117.46 123.81 2eal n PHE 66 Ca -0.15 -2.85 -0.13 0.00 -0.05 0.00 0.00 57.45 54.27 2eal n PHE 66 Cb 0.48 -2.10 -0.10 0.00 -0.94 0.00 0.00 39.48 36.82 2eal n PHE 66 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2eal s GLU 67 N 0.90 0.51 -1.54 -1.08 2.02 -1.26 -4.88 118.70 113.37 2eal s GLU 67 Ca 0.45 0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.51 2eal s GLU 67 Cb 0.12 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2eal s GLU 67 CO -0.03 -0.11 0.13 -0.25 0.02 0.00 0.00 175.26 175.01 2eal n ASP 68 N 2.06 -5.35 0.00 -0.19 8.00 -1.26 -0.22 116.55 119.59 2eal n ASP 68 Ca -0.18 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2eal n ASP 68 Cb 0.57 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 2eal n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2eal n GLY 69 N -1.06 0.41 0.03 0.44 0.00 -1.26 -4.88 105.19 98.88 2eal n GLY 69 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2eal n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eal n GLY 70 N -2.00 0.84 3.59 -0.02 0.00 0.70 -4.77 105.19 103.53 2eal n GLY 70 Ca 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 2eal n GLY 70 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2eal s TYR 71 N -0.08 -0.14 -0.09 1.61 -0.85 -0.67 -3.94 117.35 113.19 2eal s TYR 71 Ca 0.00 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.38 2eal s TYR 71 Cb 0.00 0.47 -0.00 0.00 0.38 0.00 0.00 41.96 42.81 2eal s TYR 71 CO 0.00 -0.99 -0.23 0.08 -1.52 0.00 0.00 175.55 172.88 2eal s VAL 72 N -3.88 2.00 -0.11 -3.49 1.01 -0.08 -0.33 120.40 115.51 2eal s VAL 72 Ca 0.10 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 2eal s VAL 72 Cb -0.02 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2eal s VAL 72 CO -0.01 0.55 0.30 -0.69 0.00 0.00 0.00 175.10 175.26 2eal s VAL 73 N 0.22 5.26 -0.11 2.92 1.01 -0.58 -0.97 120.40 128.16 2eal s VAL 73 Ca -0.15 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2eal s VAL 73 Cb -0.17 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2eal s VAL 73 CO 0.07 0.48 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 2eal s ASN 75 N 0.35 0.12 0.02 0.00 3.84 -0.63 -0.85 114.94 117.79 2eal s ASN 75 Ca -0.16 -1.05 0.04 0.00 0.21 0.00 0.00 52.86 51.90 2eal s ASN 75 Cb -0.17 0.65 -0.02 0.00 -0.55 0.00 0.00 41.25 41.16 2eal s ASN 75 CO 0.08 -1.26 -0.13 -0.89 -2.79 0.00 0.00 177.10 172.11 2eal s THR 76 N -3.59 0.99 -0.08 -5.21 2.01 -1.26 -0.58 115.64 107.92 2eal s THR 76 Ca 0.22 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2eal s THR 76 Cb -0.02 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 2eal s THR 76 CO 0.12 0.09 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.30 2eal s ARG 77 N -0.79 2.78 -0.07 4.92 3.52 0.38 -1.05 118.95 128.64 2eal s ARG 77 Ca 0.02 -0.88 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 2eal s ARG 77 Cb -0.06 -2.24 0.03 0.00 -1.56 0.00 0.00 34.95 31.11 2eal s ARG 77 CO 0.00 0.30 -0.02 -0.65 -0.81 0.00 0.00 175.30 174.12 2eal s GLN 78 N 0.04 0.81 -1.45 5.12 -0.21 -0.47 -0.73 119.66 122.77 2eal s GLN 78 Ca -0.10 -0.01 -0.06 0.00 0.02 0.00 0.00 55.36 55.21 2eal s GLN 78 Cb -0.15 -1.02 0.03 0.00 1.00 0.00 0.00 33.01 32.86 2eal s GLN 78 CO 0.06 -0.23 0.53 0.09 -2.12 0.00 0.00 175.29 173.62 2eal n ASN 79 N 4.78 -5.24 0.00 5.90 5.03 -0.85 -1.92 115.26 122.96 2eal n ASN 79 Ca -0.13 -0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.02 2eal n ASN 79 Cb 0.50 -4.27 0.00 0.00 -1.02 0.00 0.00 39.78 34.99 2eal n ASN 79 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2eal n GLY 80 N -1.37 2.57 3.68 7.41 0.00 0.11 -5.03 105.19 112.56 2eal n GLY 80 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2eal n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eal s SER 81 N -1.64 6.30 0.22 1.61 0.01 -0.81 -5.02 113.70 114.37 2eal s SER 81 Ca 0.00 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.30 2eal s SER 81 Cb 0.00 -2.17 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 2eal s SER 81 CO 0.00 0.02 1.11 0.26 0.41 0.00 0.00 173.24 175.04 2eal s TRP 82 N 1.05 3.57 0.17 2.43 0.52 -1.26 -1.37 118.94 124.04 2eal s TRP 82 Ca 0.14 1.62 -0.03 0.00 0.02 0.00 0.00 56.10 57.84 2eal s TRP 82 Cb -0.14 -3.29 0.04 0.00 -1.15 0.00 0.00 33.47 28.93 2eal s TRP 82 CO 0.05 -0.65 0.22 0.41 0.02 0.00 0.00 176.95 177.00 2eal n GLY 83 N 1.75 -1.28 3.75 0.98 0.00 -0.21 -4.98 105.19 105.19 2eal n GLY 83 Ca 0.01 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2eal n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2eal s PRO 84 N -3.48 4.35 0.46 1.61 0.02 -1.26 -4.86 135.00 131.84 2eal s PRO 84 Ca 0.12 2.15 -0.21 0.00 0.02 0.00 0.00 61.00 63.08 2eal s PRO 84 Cb -0.00 -3.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.27 2eal s PRO 84 CO 0.09 -0.28 1.01 -1.21 -0.33 0.00 0.00 177.00 176.28 2eal s GLU 85 N -0.50 3.98 -0.16 5.54 2.02 -1.26 -4.77 118.70 123.55 2eal s GLU 85 Ca 0.56 1.28 -0.03 0.00 0.02 0.00 0.00 54.97 56.80 2eal s GLU 85 Cb -0.38 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 2eal s GLU 85 CO 0.42 -0.27 -0.05 -1.21 0.02 0.00 0.00 175.26 174.18 2eal s GLU 86 N -3.17 3.61 -0.10 1.61 2.02 -0.03 -4.99 118.70 117.66 2eal s GLU 86 Ca 0.65 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 55.10 2eal s GLU 86 Cb -0.14 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 2eal s GLU 86 CO 0.18 0.19 -0.13 1.03 0.02 0.00 0.00 175.26 176.55 2eal s ARG 87 N 0.50 3.04 -0.28 1.61 0.52 -1.26 -0.53 118.95 122.55 2eal s ARG 87 Ca -0.04 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 54.45 2eal s ARG 87 Cb -0.14 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.78 2eal s ARG 87 CO 0.03 0.39 0.04 0.21 0.02 0.00 0.00 175.30 176.00 2eal s LYS 88 N -0.12 3.08 -0.44 3.54 2.47 -0.14 -4.98 119.74 123.14 2eal s LYS 88 Ca -0.01 -0.85 -0.03 0.00 -1.56 0.00 0.00 55.97 53.52 2eal s LYS 88 Cb -0.14 -3.27 0.14 0.00 -1.46 0.00 0.00 37.83 33.10 2eal s LYS 88 CO 0.03 -0.41 2.47 0.25 0.16 0.00 0.00 175.35 177.86 2eal n THR 89 N 4.82 3.19 -4.07 3.43 -2.24 -1.26 -0.90 114.28 117.25 2eal n THR 89 Ca -0.15 -2.64 -0.15 0.00 -2.27 0.00 0.00 64.05 58.84 2eal n THR 89 Cb 0.48 -1.48 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 2eal n THR 89 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2eal s HIS 90 N -1.97 0.32 -0.26 4.78 5.04 -1.26 -4.90 115.29 117.06 2eal s HIS 90 Ca 0.51 -0.07 0.00 0.00 -1.54 0.00 0.00 55.06 53.96 2eal s HIS 90 Cb 0.35 -0.21 0.04 0.00 0.04 0.00 0.00 32.58 32.81 2eal s HIS 90 CO -0.15 -0.01 -0.08 1.41 -2.34 0.00 0.00 174.74 173.57 2eal s MET 91 N -0.12 2.54 0.00 2.88 1.75 -1.25 -4.03 119.30 121.08 2eal s MET 91 Ca 0.01 -1.17 0.27 0.00 -1.25 0.00 0.00 55.69 53.56 2eal s MET 91 Cb -0.02 -2.96 0.85 0.00 2.84 0.00 0.00 34.83 35.54 2eal s MET 91 CO -0.00 -0.50 1.63 -0.35 -0.65 0.00 0.00 175.02 175.15 2eal n PRO 92 N 4.57 1.64 -3.70 4.11 -0.04 -1.26 -4.90 135.00 135.41 2eal n PRO 92 Ca -0.15 -1.04 -0.20 0.00 -0.04 0.00 0.00 63.50 62.06 2eal n PRO 92 Cb 0.45 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 2eal n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2eal s PHE 93 N -2.08 3.08 -0.03 0.54 0.08 -1.26 -5.00 117.98 113.31 2eal s PHE 93 Ca 0.34 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.17 2eal s PHE 93 Cb 0.21 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.85 2eal s PHE 93 CO 0.36 0.16 0.05 -1.14 -0.10 0.00 0.00 175.22 174.55 2eal s GLN 94 N -4.06 0.01 0.18 0.44 0.74 -1.26 -5.11 119.66 110.60 2eal s GLN 94 Ca 0.41 0.17 -0.33 0.00 0.05 0.00 0.00 55.36 55.66 2eal s GLN 94 Cb -0.08 -0.14 -0.14 0.00 1.10 0.00 0.00 33.01 33.75 2eal s GLN 94 CO 0.29 -0.11 1.43 1.63 -0.55 0.00 0.00 175.29 177.98 2eal n LYS 95 N 3.78 1.85 -1.00 1.67 5.02 -1.26 -1.49 118.16 126.73 2eal n LYS 95 Ca -0.22 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2eal n LYS 95 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 2eal n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eal n GLY 96 N 2.64 0.95 3.72 0.72 0.00 0.17 -4.90 105.19 108.48 2eal n GLY 96 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2eal n GLY 96 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eal s MET 97 N -0.00 2.78 0.61 1.61 -1.94 -0.55 -4.84 119.30 116.97 2eal s MET 97 Ca 0.00 -0.67 -0.16 0.00 -1.71 0.00 0.00 55.69 53.16 2eal s MET 97 Cb 0.00 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 2eal s MET 97 CO 0.00 0.59 1.08 -1.25 -0.01 0.00 0.00 175.02 175.43 2eal s PRO 98 N -1.94 3.15 0.04 2.03 0.04 -1.26 -1.78 135.00 135.27 2eal s PRO 98 Ca 0.24 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2eal s PRO 98 Cb -0.12 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2eal s PRO 98 CO 0.15 -0.96 0.02 -0.59 0.04 0.00 0.00 177.00 175.66 2eal s PHE 99 N -2.40 0.32 -0.21 0.56 -0.12 0.83 -4.92 117.98 112.03 2eal s PHE 99 Ca 0.65 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.84 2eal s PHE 99 Cb -0.18 -0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.01 2eal s PHE 99 CO 0.38 -0.32 -0.16 0.34 -0.05 0.00 0.00 175.22 175.41 2eal s ASP 100 N -2.22 3.69 -0.18 1.98 2.15 -1.26 -2.11 116.67 118.72 2eal s ASP 100 Ca -0.04 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 51.98 2eal s ASP 100 Cb -0.00 -1.51 0.01 0.00 -0.30 0.00 0.00 42.92 41.11 2eal s ASP 100 CO -0.06 -0.08 -0.17 -0.22 -0.17 0.00 0.00 175.17 174.48 2eal s LEU 101 N 1.21 2.31 -0.11 -1.34 2.96 0.29 -0.43 118.68 123.57 2eal s LEU 101 Ca -0.01 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2eal s LEU 101 Cb -0.16 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.01 2eal s LEU 101 CO -0.10 0.02 -0.17 0.00 -1.32 0.00 0.00 176.35 174.79 2eal s PHE 103 N 0.88 3.05 -0.20 0.00 0.08 0.21 -0.83 117.98 121.16 2eal s PHE 103 Ca -0.08 -0.46 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 2eal s PHE 103 Cb -0.15 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 2eal s PHE 103 CO -0.01 -0.25 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.60 2eal s LEU 104 N 1.06 2.64 0.01 -0.37 2.96 -0.10 -0.71 118.68 124.17 2eal s LEU 104 Ca 0.02 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 2eal s LEU 104 Cb -0.14 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2eal s LEU 104 CO 0.02 -0.01 0.98 -0.69 -1.32 0.00 0.00 176.35 175.33 2eal s VAL 105 N 1.39 4.82 0.33 1.68 1.01 -0.27 -1.00 120.40 128.35 2eal s VAL 105 Ca 0.05 2.06 0.04 0.00 0.00 0.00 0.00 61.98 64.12 2eal s VAL 105 Cb -0.14 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 2eal s VAL 105 CO -0.06 0.18 0.06 -1.10 0.00 0.00 0.00 175.10 174.18 2eal s GLN 106 N 0.88 1.67 0.34 2.72 -1.52 -0.05 -0.24 119.66 123.46 2eal s GLN 106 Ca 0.51 -1.93 0.03 0.00 -1.95 0.00 0.00 55.36 52.02 2eal s GLN 106 Cb -0.21 -0.84 0.64 0.00 -0.22 0.00 0.00 33.01 32.38 2eal s GLN 106 CO 0.28 -0.21 1.98 0.66 -0.25 0.00 0.00 175.29 177.75 2eal h SER 107 N 2.10 0.75 0.00 5.90 4.64 -1.97 -3.26 113.55 121.70 2eal h SER 107 Ca -0.40 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2eal h SER 107 Cb 1.25 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2eal h SER 107 CO 0.69 0.52 -0.53 -1.54 -0.87 0.00 0.00 176.83 175.09 2eal n SER 108 N -4.46 1.31 -3.90 4.97 3.41 -1.26 -4.98 113.62 108.72 2eal n SER 108 Ca 0.09 -0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.17 2eal n SER 108 Cb 0.13 1.07 -0.05 0.00 -0.26 0.00 0.00 64.21 65.09 2eal n SER 108 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2eal s ASP 109 N -1.80 0.03 -0.06 4.04 1.47 -1.23 -1.43 116.67 117.69 2eal s ASP 109 Ca 0.01 -1.02 -0.14 0.00 1.18 0.00 0.00 52.55 52.58 2eal s ASP 109 Cb 0.04 0.59 -0.05 0.00 -0.34 0.00 0.00 42.92 43.16 2eal s ASP 109 CO 0.20 -1.16 0.37 -0.36 0.68 0.00 0.00 175.17 174.90 2eal s PHE 110 N -3.87 3.64 -0.24 2.11 0.08 0.54 -0.88 117.98 119.37 2eal s PHE 110 Ca 0.24 0.86 -0.09 0.00 0.12 0.00 0.00 56.93 58.05 2eal s PHE 110 Cb -0.00 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2eal s PHE 110 CO 0.10 0.52 0.12 0.15 -0.10 0.00 0.00 175.22 176.02 2eal s LYS 111 N -0.57 3.93 -0.20 0.44 1.02 -0.17 -0.78 119.74 123.41 2eal s LYS 111 Ca 0.22 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.83 2eal s LYS 111 Cb -0.15 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2eal s LYS 111 CO 0.10 -0.00 -0.05 0.08 -0.92 0.00 0.00 175.35 174.56 2eal s VAL 112 N 1.19 3.40 -0.06 3.17 1.01 0.41 -0.92 120.40 128.60 2eal s VAL 112 Ca 0.06 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2eal s VAL 112 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2eal s VAL 112 CO 0.05 0.45 -0.06 -0.04 0.00 0.00 0.00 175.10 175.50 2eal s MET 113 N 1.18 2.75 -0.12 2.72 -1.94 -0.01 -0.21 119.30 123.66 2eal s MET 113 Ca 0.02 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.47 2eal s MET 113 Cb -0.14 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.10 2eal s MET 113 CO -0.01 0.66 -0.22 0.08 -0.01 0.00 0.00 175.02 175.52 2eal s VAL 114 N -0.86 1.99 -1.70 -6.03 1.01 0.16 -1.09 120.40 113.88 2eal s VAL 114 Ca 0.13 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 2eal s VAL 114 Cb -0.11 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.67 2eal s VAL 114 CO 0.03 0.54 0.66 0.59 0.00 0.00 0.00 175.10 176.92 2eal n ASN 115 N 3.93 -2.45 0.00 3.32 3.02 0.43 -1.04 115.26 122.48 2eal n ASN 115 Ca -0.20 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 2eal n ASN 115 Cb 0.52 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 2eal n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eal n GLY 116 N -1.47 1.70 3.52 7.41 0.00 -1.26 -5.04 105.19 110.05 2eal n GLY 116 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2eal n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eal s ILE 117 N -2.58 3.81 0.12 -0.61 1.01 -0.21 -5.03 121.20 117.72 2eal s ILE 117 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 60.65 59.91 2eal s ILE 117 Cb 0.00 -2.63 -0.13 0.00 0.01 0.00 0.00 42.46 39.70 2eal s ILE 117 CO 0.00 0.53 1.64 -0.11 0.00 0.00 0.00 174.94 177.00 2eal n LEU 118 N 3.12 3.22 -0.05 2.97 7.94 -1.26 -0.67 117.00 132.27 2eal n LEU 118 Ca -0.18 1.06 -0.10 0.00 -1.11 0.00 0.00 56.01 55.69 2eal n LEU 118 Cb 0.53 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 2eal n LEU 118 CO 0.31 -0.21 -0.82 0.33 -1.11 0.00 0.00 177.39 175.88 2eal n PHE 119 N 4.02 0.00 -3.68 1.96 7.35 0.71 -4.87 117.46 122.95 2eal n PHE 119 Ca 0.18 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.75 2eal n PHE 119 Cb 0.29 -0.34 -0.06 0.00 0.35 0.00 0.00 39.48 39.73 2eal n PHE 119 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2eal s VAL 120 N -2.17 0.07 -0.04 -2.13 0.11 -1.10 -5.02 120.40 110.11 2eal s VAL 120 Ca -0.13 -0.56 0.06 0.00 -2.93 0.00 0.00 61.98 58.42 2eal s VAL 120 Cb 0.05 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2eal s VAL 120 CO 0.17 -0.31 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.32 2eal s GLN 121 N -2.95 2.41 -0.20 1.54 -0.21 -1.26 -0.45 119.66 118.54 2eal s GLN 121 Ca -0.02 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.53 2eal s GLN 121 Cb 0.00 -2.21 0.04 0.00 1.00 0.00 0.00 33.01 31.84 2eal s GLN 121 CO -0.06 0.52 -0.11 -0.47 -2.12 0.00 0.00 175.29 173.05 2eal s TYR 122 N -0.50 2.50 0.13 0.91 5.04 0.04 -4.94 117.35 120.52 2eal s TYR 122 Ca 0.06 -1.63 -0.31 0.00 -2.44 0.00 0.00 57.07 52.76 2eal s TYR 122 Cb -0.11 -1.68 -0.08 0.00 0.35 0.00 0.00 41.96 40.44 2eal s TYR 122 CO 0.01 -0.75 1.30 0.12 -1.34 0.00 0.00 175.55 174.88 2eal s PHE 123 N 1.37 3.32 0.11 4.97 5.36 -1.26 -0.34 117.98 131.51 2eal s PHE 123 Ca -0.01 1.16 -0.34 0.00 -0.96 0.00 0.00 56.93 56.78 2eal s PHE 123 Cb -0.16 -3.57 -0.13 0.00 -0.34 0.00 0.00 43.02 38.82 2eal s PHE 123 CO -0.08 -1.84 1.64 0.72 -1.46 0.00 0.00 175.22 174.19 2eal n HIS 124 N 3.48 2.28 -0.08 10.12 8.25 -0.52 -4.89 115.22 133.87 2eal n HIS 124 Ca 0.09 0.21 -0.06 0.00 -0.26 0.00 0.00 57.72 57.70 2eal n HIS 124 Cb 0.44 -2.57 -0.16 0.00 1.12 0.00 0.00 29.99 28.82 2eal n HIS 124 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eal n ARG 125 N 4.09 0.77 -4.32 -0.41 1.74 -1.26 -5.00 116.66 112.26 2eal n ARG 125 Ca 0.18 -0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 57.05 2eal n ARG 125 Cb 0.29 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 2eal n ARG 125 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2eal s VAL 126 N -2.64 1.48 0.01 1.55 -7.23 -1.26 -5.10 120.40 107.21 2eal s VAL 126 Ca -0.09 -2.14 -0.33 0.00 -1.81 0.00 0.00 61.98 57.60 2eal s VAL 126 Cb 0.07 -2.06 -0.12 0.00 0.56 0.00 0.00 36.38 34.83 2eal s VAL 126 CO 0.82 -0.58 1.81 -2.65 -0.31 0.00 0.00 175.10 174.18 2eal n PRO 127 N -0.35 2.30 0.25 4.82 -0.02 -1.26 -4.86 135.00 135.87 2eal n PRO 127 Ca -0.08 0.84 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 2eal n PRO 127 Cb 0.61 -2.68 0.56 0.00 -0.02 0.00 0.00 33.50 31.97 2eal n PRO 127 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2eal h PHE 128 N 8.43 0.00 0.00 6.00 -5.15 -1.98 -2.98 116.94 121.27 2eal h PHE 128 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 2eal h PHE 128 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.43 2eal h PHE 128 CO 0.81 0.13 0.00 0.45 -2.00 0.00 0.00 178.31 177.70 2eal h HIS 129 N 0.00 0.00 0.00 6.09 3.86 -1.89 -1.44 115.15 121.77 2eal h HIS 129 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2eal h HIS 129 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2eal h HIS 129 CO 0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 2eal n ARG 130 N -2.81 0.02 -3.04 2.45 1.74 -1.12 -4.62 116.66 109.27 2eal n ARG 130 Ca -0.01 0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.80 2eal n ARG 130 Cb 0.13 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 29.99 2eal n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2eal s VAL 131 N -3.02 5.03 0.00 1.55 1.01 -0.54 -4.56 120.40 119.86 2eal s VAL 131 Ca 0.11 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2eal s VAL 131 Cb 0.14 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2eal s VAL 131 CO 0.42 0.21 0.64 -0.90 0.00 0.00 0.00 175.10 175.48 2eal n ASP 132 N 4.08 0.91 -3.83 3.32 5.68 -0.87 -1.73 116.55 124.11 2eal n ASP 132 Ca -0.01 -1.39 -0.12 0.00 -0.50 0.00 0.00 54.79 52.76 2eal n ASP 132 Cb 0.51 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.36 2eal n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2eal s THR 133 N -0.39 -0.00 -0.10 2.12 2.01 -0.85 -0.34 115.64 118.08 2eal s THR 133 Ca 0.00 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2eal s THR 133 Cb 0.00 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 2eal s THR 133 CO 0.00 0.01 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.31 2eal s ILE 134 N 0.16 3.21 0.05 1.82 2.07 0.06 -0.93 121.20 127.64 2eal s ILE 134 Ca -0.01 -0.63 0.06 0.00 -1.41 0.00 0.00 60.65 58.66 2eal s ILE 134 Cb -0.02 -2.33 -0.03 0.00 0.13 0.00 0.00 42.46 40.22 2eal s ILE 134 CO -0.00 0.55 -0.16 -0.55 -1.91 0.00 0.00 174.94 172.86 2eal s SER 135 N -0.06 1.91 -0.03 4.50 0.15 -0.23 -0.56 113.70 119.38 2eal s SER 135 Ca -0.02 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2eal s SER 135 Cb -0.14 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 2eal s SER 135 CO 0.04 0.03 -0.02 -0.69 1.20 0.00 0.00 173.24 173.79 2eal s VAL 136 N -0.97 0.35 0.21 4.45 1.01 -0.05 0.01 120.40 125.41 2eal s VAL 136 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2eal s VAL 136 Cb -0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2eal s VAL 136 CO 0.02 0.18 0.34 0.54 0.00 0.00 0.00 175.10 176.17 2eal s ASN 137 N 0.87 0.01 0.00 3.32 4.22 -0.70 -1.08 114.94 121.58 2eal s ASN 137 Ca -0.10 -1.04 0.00 0.00 -2.14 0.00 0.00 52.86 49.58 2eal s ASN 137 Cb -0.13 0.49 0.00 0.00 1.28 0.00 0.00 41.25 42.89 2eal s ASN 137 CO -0.01 -1.00 0.00 0.61 -2.04 0.00 0.00 177.10 174.67 2eal n GLY 138 N -0.31 0.29 2.43 0.45 0.00 -1.26 -1.08 105.19 105.70 2eal n GLY 138 Ca -0.02 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 2eal n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eal n SER 139 N 0.28 7.32 -4.03 1.61 3.41 0.07 -4.83 113.62 117.45 2eal n SER 139 Ca 0.00 -3.05 -0.08 0.00 -0.26 0.00 0.00 58.87 55.48 2eal n SER 139 Cb 0.00 -1.34 -0.10 0.00 -0.26 0.00 0.00 64.21 62.52 2eal n SER 139 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2eal s VAL 140 N -1.05 0.19 0.14 -3.33 -7.23 -1.26 -1.10 120.40 106.76 2eal s VAL 140 Ca 0.58 -1.58 0.10 0.00 -1.81 0.00 0.00 61.98 59.27 2eal s VAL 140 Cb 0.27 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2eal s VAL 140 CO -0.13 -0.87 -0.23 0.00 -0.31 0.00 0.00 175.10 173.56 2eal s GLN 141 N -3.64 1.31 -0.09 4.82 -2.07 -0.36 -4.79 119.66 114.84 2eal s GLN 141 Ca 0.04 -1.33 -0.00 0.00 -1.82 0.00 0.00 55.36 52.25 2eal s GLN 141 Cb 0.06 -1.62 -0.03 0.00 -1.09 0.00 0.00 33.01 30.33 2eal s GLN 141 CO -0.09 0.37 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.67 2eal s LEU 142 N -2.23 3.17 -0.20 2.60 1.43 -1.26 -1.49 118.68 120.70 2eal s LEU 142 Ca 0.13 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 2eal s LEU 142 Cb -0.09 -1.71 -0.17 0.00 0.03 0.00 0.00 46.19 44.25 2eal s LEU 142 CO 0.06 0.31 0.18 0.28 0.23 0.00 0.00 176.35 177.41 2eal h SER 143 N 5.66 0.00 -5.03 2.29 0.02 -1.34 -3.38 113.55 111.77 2eal h SER 143 Ca -0.43 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 60.01 2eal h SER 143 Cb 1.18 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 2eal h SER 143 CO 0.55 1.40 0.05 -0.72 -1.14 0.00 0.00 176.83 176.97 2eal s TYR 144 N -2.34 -0.39 -0.08 3.45 -0.85 -0.90 0.89 117.35 117.12 2eal s TYR 144 Ca -0.27 0.29 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 2eal s TYR 144 Cb 0.05 0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.77 2eal s TYR 144 CO 0.55 -0.71 -0.19 0.42 -1.52 0.00 0.00 175.55 174.11 2eal s ILE 145 N -3.10 1.66 0.21 -3.49 1.01 -0.38 -1.19 121.20 115.92 2eal s ILE 145 Ca -0.02 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2eal s ILE 145 Cb -0.00 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2eal s ILE 145 CO -0.07 0.47 0.00 -0.94 0.00 0.00 0.00 174.94 174.40 2eal s SER 146 N 0.46 1.59 0.00 3.58 1.04 -0.21 -1.05 113.70 119.11 2eal s SER 146 Ca -0.17 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2eal s SER 146 Cb -0.17 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2eal s SER 146 CO 0.07 -0.54 0.12 0.49 0.98 0.00 0.00 173.24 174.36