#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dos s LYS 10 N 0.00 3.67 0.03 -1.46 0.00 -1.26 -5.08 119.74 115.64 3dos s LYS 10 Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 55.97 57.11 3dos s LYS 10 Cb 0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 37.83 35.72 3dos s LYS 10 CO 0.00 -0.51 -0.12 -1.21 0.00 0.00 0.00 175.35 173.50 3dos s GLU 11 N -3.98 0.85 0.10 1.78 0.41 -1.26 -5.15 118.70 111.45 3dos s GLU 11 Ca 0.62 -0.66 0.02 0.00 -0.41 0.00 0.00 54.97 54.53 3dos s GLU 11 Cb -0.13 -0.82 -0.04 0.00 -1.78 0.00 0.00 34.13 31.35 3dos s GLU 11 CO 0.32 0.21 -0.06 0.71 -0.49 0.00 0.00 175.26 175.95 3dos s TYR 12 N -0.76 0.92 0.00 1.61 1.51 -1.26 -5.00 117.35 114.37 3dos s TYR 12 Ca 0.01 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 3dos s TYR 12 Cb -0.07 -0.53 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 3dos s TYR 12 CO 0.01 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 3dos n GLY 13 N -0.06 1.26 3.27 0.71 0.00 -1.26 -5.02 105.19 104.08 3dos n GLY 13 Ca -0.12 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 3dos n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dos s VAL 14 N 0.00 1.99 -0.12 1.61 1.01 -1.26 -3.54 120.40 120.09 3dos s VAL 14 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3dos s VAL 14 Cb 0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 3dos s VAL 14 CO 0.00 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.56 3dos s THR 15 N -0.30 2.37 -0.10 3.92 2.01 -0.92 -4.99 115.64 117.63 3dos s THR 15 Ca 0.01 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3dos s THR 15 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 3dos s THR 15 CO 0.02 0.55 0.13 -0.63 -0.69 0.00 0.00 174.62 174.00 3dos s ILE 16 N 0.45 5.39 0.03 1.82 1.01 -1.26 -1.54 121.20 127.10 3dos s ILE 16 Ca -0.14 0.10 0.31 0.00 0.00 0.00 0.00 60.65 60.92 3dos s ILE 16 Cb -0.17 -3.37 0.33 0.00 0.01 0.00 0.00 42.46 39.26 3dos s ILE 16 CO 0.06 0.56 1.94 1.23 0.00 0.00 0.00 174.94 178.74 3dos h GLY 17 N 4.78 0.00 -3.17 6.18 0.00 -0.79 -3.43 103.07 106.64 3dos h GLY 17 Ca -0.54 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 3dos h GLY 17 CO 0.60 0.00 -0.68 -1.83 0.00 0.00 0.00 176.54 174.63 3dos s GLU 18 N -3.67 0.68 0.00 4.80 -1.05 -1.26 -4.94 118.70 113.26 3dos s GLU 18 Ca -0.00 -1.26 0.23 0.00 -0.15 0.00 0.00 54.97 53.79 3dos s GLU 18 Cb 0.09 0.13 0.13 0.00 -0.44 0.00 0.00 34.13 34.05 3dos s GLU 18 CO 0.40 -0.10 1.20 -1.13 0.95 0.00 0.00 175.26 176.57 3dos n SER 19 N 0.06 2.44 -3.57 0.83 3.41 -1.26 -4.91 113.62 110.62 3dos n SER 19 Ca -0.13 -1.72 -0.11 0.00 -0.26 0.00 0.00 58.87 56.65 3dos n SER 19 Cb 0.61 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.76 3dos n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dos s ARG 20 N -2.25 1.12 -0.11 4.33 3.03 -1.26 -4.04 118.95 119.77 3dos s ARG 20 Ca 0.24 -0.61 0.01 0.00 2.03 0.00 0.00 55.73 57.40 3dos s ARG 20 Cb 0.19 0.50 0.02 0.00 -1.03 0.00 0.00 34.95 34.63 3dos s ARG 20 CO 0.44 -0.45 -0.14 0.42 -1.13 0.00 0.00 175.30 174.44 3dos s ILE 21 N -3.68 1.40 -0.33 4.99 1.01 -0.38 -4.99 121.20 119.22 3dos s ILE 21 Ca 0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 3dos s ILE 21 Cb 0.01 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3dos s ILE 21 CO -0.11 0.42 0.29 -0.63 0.00 0.00 0.00 174.94 174.91 3dos s ILE 22 N 1.15 5.23 -0.42 2.92 -1.09 -1.26 0.32 121.20 128.04 3dos s ILE 22 Ca -0.04 -0.02 -0.10 0.00 -2.23 0.00 0.00 60.65 58.27 3dos s ILE 22 Cb -0.14 -3.74 0.08 0.00 -1.58 0.00 0.00 42.46 37.08 3dos s ILE 22 CO -0.04 -0.00 0.27 -0.47 -1.23 0.00 0.00 174.94 173.47 3dos s TYR 23 N 1.87 3.34 0.10 3.97 5.04 0.24 -4.95 117.35 126.95 3dos s TYR 23 Ca 0.09 -1.50 -0.31 0.00 -2.44 0.00 0.00 57.07 52.91 3dos s TYR 23 Cb -0.17 -2.99 -0.08 0.00 0.35 0.00 0.00 41.96 39.07 3dos s TYR 23 CO 0.11 -0.85 1.51 -2.14 -1.34 0.00 0.00 175.55 172.84 3dos s PRO 24 N 1.44 4.25 0.17 4.97 0.02 -1.26 -0.64 135.00 143.95 3dos s PRO 24 Ca 0.03 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 3dos s PRO 24 Cb -0.23 -3.36 -0.08 0.00 0.02 0.00 0.00 34.50 30.85 3dos s PRO 24 CO 0.02 -0.58 1.29 -1.17 -0.33 0.00 0.00 177.00 176.23 3dos s LEU 25 N 1.69 4.41 0.00 -5.54 2.96 0.62 -2.21 118.68 120.61 3dos s LEU 25 Ca 0.68 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 3dos s LEU 25 Cb -0.39 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.70 3dos s LEU 25 CO 0.30 -0.51 0.00 0.47 -1.32 0.00 0.00 176.35 175.30 3dos n ASP 26 N 2.96 0.00 -4.47 3.68 8.00 -1.26 -4.64 116.55 120.81 3dos n ASP 26 Ca 0.07 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.18 3dos n ASP 26 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.57 3dos n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dos n ALA 27 N -0.38 -1.11 -0.24 2.24 0.00 -0.94 -4.89 120.51 115.19 3dos n ALA 27 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3dos n ALA 27 Cb 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 19.45 17.66 3dos n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dos h ALA 28 N 0.37 0.88 0.00 0.00 0.00 -1.90 -3.41 119.26 115.20 3dos h ALA 28 Ca -0.45 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3dos h ALA 28 Cb 1.40 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dos h ALA 28 CO 0.48 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.67 3dos n GLY 29 N -0.79 -0.28 3.09 0.00 0.00 -1.26 -3.98 105.19 101.97 3dos n GLY 29 Ca 0.05 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 3dos n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dos s VAL 30 N -2.00 0.14 0.10 1.61 -7.23 -0.22 -4.98 120.40 107.82 3dos s VAL 30 Ca 0.00 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 3dos s VAL 30 Cb 0.00 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 3dos s VAL 30 CO 0.00 -0.62 0.02 -0.04 -0.31 0.00 0.00 175.10 174.15 3dos s MET 31 N -2.47 2.58 -0.02 4.82 -1.94 -1.26 -1.04 119.30 119.98 3dos s MET 31 Ca -0.06 -0.85 -0.01 0.00 -1.71 0.00 0.00 55.69 53.06 3dos s MET 31 Cb -0.02 -2.55 0.01 0.00 2.01 0.00 0.00 34.83 34.29 3dos s MET 31 CO -0.04 0.53 0.04 0.54 -0.01 0.00 0.00 175.02 176.08 3dos s VAL 32 N -1.39 -0.02 0.16 -6.03 0.11 -0.80 -4.97 120.40 107.45 3dos s VAL 32 Ca 0.27 0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 3dos s VAL 32 Cb -0.11 -0.08 -0.07 0.00 -1.53 0.00 0.00 36.38 34.59 3dos s VAL 32 CO 0.19 0.04 0.97 -0.94 -3.33 0.00 0.00 175.10 172.02 3dos s SER 33 N 0.47 7.53 -0.12 3.54 1.04 -1.26 -1.92 113.70 122.98 3dos s SER 33 Ca -0.04 1.88 0.03 0.00 0.48 0.00 0.00 55.95 58.30 3dos s SER 33 Cb -0.05 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.48 3dos s SER 33 CO -0.02 -0.01 -0.20 -0.69 0.98 0.00 0.00 173.24 173.31 3dos s VAL 34 N -0.43 1.86 -0.12 5.02 1.01 0.81 -0.02 120.40 128.53 3dos s VAL 34 Ca 0.45 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3dos s VAL 34 Cb -0.25 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3dos s VAL 34 CO 0.31 0.51 -0.22 -0.75 0.00 0.00 0.00 175.10 174.96 3dos s LYS 35 N 0.71 3.09 -0.53 2.72 2.20 -0.59 -0.74 119.74 126.60 3dos s LYS 35 Ca -0.11 -0.84 -0.26 0.00 -0.36 0.00 0.00 55.97 54.40 3dos s LYS 35 Cb -0.16 -2.39 0.03 0.00 -1.51 0.00 0.00 37.83 33.80 3dos s LYS 35 CO 0.02 0.13 1.01 1.21 -0.36 0.00 0.00 175.35 177.35 3dos s ASN 36 N 0.48 6.41 -0.03 1.43 3.84 -0.48 -2.16 114.94 124.43 3dos s ASN 36 Ca -0.14 -0.10 0.09 0.00 0.21 0.00 0.00 52.86 52.91 3dos s ASN 36 Cb -0.17 -2.47 0.30 0.00 -0.55 0.00 0.00 41.25 38.36 3dos s ASN 36 CO 0.05 -1.25 1.17 0.35 -2.79 0.00 0.00 177.10 174.64 3dos n THR 37 N 6.39 0.65 -4.15 -5.21 -2.24 -1.23 -2.28 114.28 106.21 3dos n THR 37 Ca 0.05 -0.48 -0.24 0.00 -2.27 0.00 0.00 64.05 61.11 3dos n THR 37 Cb 0.48 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 3dos n THR 37 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dos s GLN 38 N -1.63 2.72 -0.08 -0.78 -1.52 -1.26 -4.84 119.66 112.27 3dos s GLN 38 Ca 0.22 -1.07 0.03 0.00 -1.95 0.00 0.00 55.36 52.59 3dos s GLN 38 Cb 0.13 -2.48 0.20 0.00 -0.22 0.00 0.00 33.01 30.64 3dos s GLN 38 CO 0.12 0.43 0.95 -0.40 -0.25 0.00 0.00 175.29 176.14 3dos n ASP 39 N -0.69 2.52 -4.05 5.90 5.68 -1.26 -1.82 116.55 122.82 3dos n ASP 39 Ca -0.08 -2.29 -0.12 0.00 -0.50 0.00 0.00 54.79 51.80 3dos n ASP 39 Cb 0.57 -0.56 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 3dos n ASP 39 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3dos s TYR 40 N -1.26 0.59 0.73 2.11 -0.85 -1.26 -4.82 117.35 112.59 3dos s TYR 40 Ca 0.14 -0.55 -0.13 0.00 -0.52 0.00 0.00 57.07 56.01 3dos s TYR 40 Cb 0.11 -0.36 0.04 0.00 0.38 0.00 0.00 41.96 42.13 3dos s TYR 40 CO 0.04 -0.12 1.13 -1.25 -1.52 0.00 0.00 175.55 173.82 3dos s PRO 41 N -1.75 2.32 0.20 -3.49 0.04 -1.26 -3.95 135.00 127.10 3dos s PRO 41 Ca -0.10 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3dos s PRO 41 Cb -0.09 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3dos s PRO 41 CO -0.01 -1.62 0.07 0.14 0.04 0.00 0.00 177.00 175.62 3dos s VAL 42 N -2.47 0.37 -0.18 -0.36 -7.23 -0.68 -4.22 120.40 105.63 3dos s VAL 42 Ca 0.67 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 3dos s VAL 42 Cb -0.21 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 3dos s VAL 42 CO 0.48 -0.22 0.21 -0.76 -0.31 0.00 0.00 175.10 174.49 3dos s LEU 43 N -3.19 4.22 -0.27 1.32 1.43 -0.38 -1.55 118.68 120.26 3dos s LEU 43 Ca 0.32 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.62 3dos s LEU 43 Cb 0.07 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3dos s LEU 43 CO 0.08 0.14 0.37 -0.63 0.23 0.00 0.00 176.35 176.54 3dos s ILE 44 N 0.45 5.18 -0.16 -0.59 -1.09 0.11 -0.98 121.20 124.11 3dos s ILE 44 Ca 0.12 0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 59.10 3dos s ILE 44 Cb -0.12 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.06 3dos s ILE 44 CO 0.01 0.16 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.17 3dos s GLN 45 N 2.05 3.31 -0.07 2.79 0.74 -0.09 -2.44 119.66 125.96 3dos s GLN 45 Ca 0.15 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 54.89 3dos s GLN 45 Cb -0.16 -2.69 0.01 0.00 1.10 0.00 0.00 33.01 31.27 3dos s GLN 45 CO 0.10 0.05 -0.16 -1.12 -0.55 0.00 0.00 175.29 173.61 3dos s SER 46 N 0.75 2.17 0.02 6.67 0.01 -0.85 -0.69 113.70 121.78 3dos s SER 46 Ca -0.05 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3dos s SER 46 Cb -0.15 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.15 3dos s SER 46 CO 0.01 0.09 -0.03 -0.13 0.41 0.00 0.00 173.24 173.59 3dos s ARG 47 N 0.44 0.31 -0.17 12.44 0.52 -0.33 -4.79 118.95 127.37 3dos s ARG 47 Ca -0.13 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.46 3dos s ARG 47 Cb -0.15 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.35 3dos s ARG 47 CO 0.05 -0.04 -0.02 0.42 0.02 0.00 0.00 175.30 175.73 3dos s ILE 48 N -1.34 4.00 0.13 1.52 -1.09 -1.26 -0.70 121.20 122.46 3dos s ILE 48 Ca -0.14 -0.32 0.09 0.00 -2.23 0.00 0.00 60.65 58.05 3dos s ILE 48 Cb -0.09 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 3dos s ILE 48 CO -0.01 0.48 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.69 3dos s TYR 49 N 0.47 2.53 0.00 3.97 1.51 0.42 -4.94 117.35 121.31 3dos s TYR 49 Ca -0.02 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3dos s TYR 49 Cb -0.14 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 3dos s TYR 49 CO 0.02 0.40 0.00 -0.25 -1.11 0.00 0.00 175.55 174.62 3dos n ASP 50 N 0.69 0.00 -3.23 2.29 9.92 -1.26 -0.79 116.55 124.17 3dos n ASP 50 Ca -0.15 -0.28 -0.32 0.00 -0.53 0.00 0.00 54.79 53.51 3dos n ASP 50 Cb 0.53 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.99 3dos n ASP 50 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3dos n ASP 59 N -0.83 5.36 0.10 -2.24 8.00 -1.26 -4.67 116.55 121.01 3dos n ASP 59 Ca 0.00 -3.66 -0.18 0.00 0.71 0.00 0.00 54.79 51.67 3dos n ASP 59 Cb 0.00 -0.78 -0.12 0.00 -0.02 0.00 0.00 41.12 40.20 3dos n ASP 59 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3dos h PRO 60 N 3.55 0.41 -5.95 -0.24 0.13 -1.96 -3.45 132.00 124.50 3dos h PRO 60 Ca 0.26 -0.60 -0.62 0.00 -0.87 0.00 0.00 66.00 64.17 3dos h PRO 60 Cb 0.47 0.21 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 3dos h PRO 60 CO 0.95 1.26 -0.24 -0.06 -0.23 0.00 0.00 178.00 179.67 3dos s PHE 61 N -2.86 3.71 -0.08 1.56 0.08 -1.26 -2.24 117.98 116.89 3dos s PHE 61 Ca -0.06 0.92 0.03 0.00 0.12 0.00 0.00 56.93 57.94 3dos s PHE 61 Cb 0.07 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3dos s PHE 61 CO 0.90 0.65 -0.19 0.08 -0.10 0.00 0.00 175.22 176.56 3dos s VAL 62 N -1.04 1.64 -0.19 -0.44 1.01 -0.35 -4.91 120.40 116.11 3dos s VAL 62 Ca 0.22 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3dos s VAL 62 Cb -0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3dos s VAL 62 CO 0.12 0.47 0.05 -0.69 0.00 0.00 0.00 175.10 175.04 3dos s VAL 63 N 0.42 4.59 -0.16 2.92 1.01 -1.26 -1.08 120.40 126.84 3dos s VAL 63 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3dos s VAL 63 Cb -0.16 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3dos s VAL 63 CO 0.06 0.44 -0.13 -0.89 0.00 0.00 0.00 175.10 174.59 3dos s THR 64 N 0.58 1.53 -0.07 3.92 2.01 0.35 -2.47 115.64 121.49 3dos s THR 64 Ca 0.02 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.15 3dos s THR 64 Cb -0.13 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3dos s THR 64 CO 0.01 0.39 0.55 -2.16 -0.69 0.00 0.00 174.62 172.73 3dos s PRO 65 N 1.49 4.34 0.55 4.92 0.04 -1.26 -0.59 135.00 144.49 3dos s PRO 65 Ca 0.04 0.62 0.28 0.00 0.04 0.00 0.00 61.00 61.97 3dos s PRO 65 Cb -0.13 -3.41 1.46 0.00 0.04 0.00 0.00 34.50 32.46 3dos s PRO 65 CO -0.10 0.21 1.95 -1.00 0.04 0.00 0.00 177.00 178.10 3dos h PRO 66 N 6.37 0.00 -2.81 0.56 0.13 -1.79 -3.41 132.00 131.05 3dos h PRO 66 Ca -0.43 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 3dos h PRO 66 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 3dos h PRO 66 CO 0.73 0.00 -0.33 -1.17 -0.23 0.00 0.00 178.00 177.00 3dos s LEU 67 N -8.28 0.31 -0.01 1.56 2.96 -1.26 -2.00 118.68 111.98 3dos s LEU 67 Ca -0.05 0.75 -0.28 0.00 -0.22 0.00 0.00 54.13 54.33 3dos s LEU 67 Cb 0.19 1.19 0.10 0.00 0.50 0.00 0.00 46.19 48.16 3dos s LEU 67 CO 0.69 -0.16 0.84 0.72 -1.32 0.00 0.00 176.35 177.12 3dos s PHE 68 N 0.85 -0.41 0.18 5.38 -0.12 -1.02 -4.99 117.98 117.85 3dos s PHE 68 Ca -0.05 0.37 -0.11 0.00 -0.05 0.00 0.00 56.93 57.08 3dos s PHE 68 Cb -0.06 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.78 3dos s PHE 68 CO -0.06 -0.57 0.53 0.50 -0.05 0.00 0.00 175.22 175.57 3dos s ARG 69 N -2.77 3.85 -0.08 1.99 3.52 -1.26 0.04 118.95 124.24 3dos s ARG 69 Ca 0.02 0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.91 3dos s ARG 69 Cb -0.01 -2.79 0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3dos s ARG 69 CO -0.07 0.40 0.07 -1.17 -0.81 0.00 0.00 175.30 173.73 3dos s LEU 70 N -2.42 0.21 1.23 -0.88 2.96 -0.60 -4.92 118.68 114.25 3dos s LEU 70 Ca 0.42 -0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 54.00 3dos s LEU 70 Cb -0.13 -0.17 0.29 0.00 0.50 0.00 0.00 46.19 46.68 3dos s LEU 70 CO 0.20 -0.28 1.06 -1.81 -1.32 0.00 0.00 176.35 174.20 3dos s ASP 71 N 2.16 0.67 0.25 3.68 1.01 -1.26 -1.69 116.67 121.48 3dos s ASP 71 Ca 0.04 0.79 -0.30 0.00 0.71 0.00 0.00 52.55 53.79 3dos s ASP 71 Cb -0.13 -1.14 -0.14 0.00 1.01 0.00 0.00 42.92 42.51 3dos s ASP 71 CO -0.05 -4.30 1.20 0.00 0.21 0.00 0.00 175.17 172.23 3dos n ALA 72 N -4.90 0.18 -1.25 5.23 0.00 -1.25 -2.84 120.51 115.67 3dos n ALA 72 Ca 0.11 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 3dos n ALA 72 Cb 0.59 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 3dos n ALA 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dos n LYS 73 N 1.36 -1.71 -3.76 0.00 4.76 -0.76 -4.95 118.16 113.10 3dos n LYS 73 Ca 0.11 0.81 -0.22 0.00 -2.87 0.00 0.00 58.31 56.14 3dos n LYS 73 Cb 0.30 -5.17 -0.02 0.00 -1.84 0.00 0.00 35.03 28.31 3dos n LYS 73 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3dos s GLN 74 N -2.76 3.44 -0.01 1.97 -1.52 -1.13 -4.87 119.66 114.78 3dos s GLN 74 Ca 0.00 -0.63 0.04 0.00 -1.95 0.00 0.00 55.36 52.82 3dos s GLN 74 Cb 0.00 -2.81 -0.01 0.00 -0.22 0.00 0.00 33.01 29.96 3dos s GLN 74 CO 0.00 0.33 -0.14 -1.14 -0.25 0.00 0.00 175.29 174.09 3dos s GLN 75 N -4.10 1.11 0.23 2.91 0.74 -1.26 -1.39 119.66 117.91 3dos s GLN 75 Ca 0.36 -0.51 -0.02 0.00 0.05 0.00 0.00 55.36 55.24 3dos s GLN 75 Cb -0.09 -1.07 -0.03 0.00 1.10 0.00 0.00 33.01 32.91 3dos s GLN 75 CO 0.31 0.29 0.23 1.21 -0.55 0.00 0.00 175.29 176.78 3dos s ASN 76 N -0.37 0.36 0.10 6.67 3.84 0.09 -4.98 114.94 120.64 3dos s ASN 76 Ca 0.05 -1.37 0.09 0.00 0.21 0.00 0.00 52.86 51.84 3dos s ASN 76 Cb -0.05 0.45 -0.03 0.00 -0.55 0.00 0.00 41.25 41.07 3dos s ASN 76 CO -0.00 -0.95 -0.23 -0.94 -2.79 0.00 0.00 177.10 172.19 3dos s SER 77 N -3.17 2.77 -0.04 -4.21 1.04 -1.26 -0.13 113.70 108.70 3dos s SER 77 Ca 0.36 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 3dos s SER 77 Cb 0.05 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 3dos s SER 77 CO 0.14 0.11 0.06 -0.76 0.98 0.00 0.00 173.24 173.78 3dos s LEU 78 N -1.83 3.85 -0.16 2.42 1.43 -0.81 -4.69 118.68 118.90 3dos s LEU 78 Ca 0.09 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 3dos s LEU 78 Cb -0.10 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3dos s LEU 78 CO 0.04 0.31 0.09 -0.60 0.23 0.00 0.00 176.35 176.43 3dos s ARG 79 N -1.43 3.81 -0.17 1.70 3.52 0.24 -1.91 118.95 124.70 3dos s ARG 79 Ca 0.19 -0.27 -0.03 0.00 -0.13 0.00 0.00 55.73 55.50 3dos s ARG 79 Cb -0.12 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3dos s ARG 79 CO 0.10 0.44 -0.07 0.42 -0.81 0.00 0.00 175.30 175.38 3dos s ILE 80 N -0.09 3.47 -0.01 4.11 1.09 -0.20 -0.49 121.20 129.07 3dos s ILE 80 Ca 0.08 -0.49 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 3dos s ILE 80 Cb -0.12 -2.52 -0.01 0.00 -1.06 0.00 0.00 42.46 38.75 3dos s ILE 80 CO 0.01 0.48 -0.11 0.00 -0.10 0.00 0.00 174.94 175.21 3dos s ALA 81 N 0.71 0.95 -0.16 9.38 0.00 -0.24 -1.05 121.76 131.34 3dos s ALA 81 Ca -0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 3dos s ALA 81 Cb -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3dos s ALA 81 CO 0.02 0.23 0.02 -1.14 0.00 0.00 0.00 175.76 174.89 3dos s GLN 82 N -0.29 3.79 -0.07 0.00 -0.44 -1.26 -1.22 119.66 120.18 3dos s GLN 82 Ca 0.04 -0.41 -0.05 0.00 -2.50 0.00 0.00 55.36 52.44 3dos s GLN 82 Cb -0.04 -3.07 0.03 0.00 -1.64 0.00 0.00 33.01 28.28 3dos s GLN 82 CO -0.00 0.30 0.19 0.00 0.50 0.00 0.00 175.29 176.27 3dos s ALA 83 N 0.26 -0.43 0.00 1.58 0.00 -0.95 -4.89 121.76 117.33 3dos s ALA 83 Ca 0.01 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3dos s ALA 83 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3dos s ALA 83 CO 0.01 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3dos n GLY 84 N 3.54 3.02 3.04 0.00 0.00 -1.26 -4.61 105.19 108.91 3dos n GLY 84 Ca -0.19 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 3dos n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dos n GLY 85 N 0.00 -4.39 3.45 -0.02 0.00 -1.26 -5.00 105.19 97.97 3dos n GLY 85 Ca 0.00 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 3dos n GLY 85 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dos s VAL 86 N -2.04 3.76 0.05 1.61 -7.23 -1.26 -5.12 120.40 110.17 3dos s VAL 86 Ca 0.41 -0.39 0.05 0.00 -1.81 0.00 0.00 61.98 60.24 3dos s VAL 86 Cb -0.17 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 3dos s VAL 86 CO 0.81 0.47 -0.13 -0.36 -0.31 0.00 0.00 175.10 175.58 3dos s PHE 87 N 0.64 1.15 0.52 2.82 0.40 -1.26 -5.13 117.98 117.13 3dos s PHE 87 Ca -0.02 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 55.69 3dos s PHE 87 Cb -0.14 -0.67 -0.07 0.00 0.51 0.00 0.00 43.02 42.65 3dos s PHE 87 CO 0.02 0.03 1.12 -2.30 0.70 0.00 0.00 175.22 174.80 3dos n PRO 88 N 1.63 1.34 0.00 0.24 -0.02 -1.26 -4.94 135.00 131.99 3dos n PRO 88 Ca -0.20 0.50 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 3dos n PRO 88 Cb 0.55 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3dos n PRO 88 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dos n ARG 89 N -0.63 4.89 -0.67 -0.52 5.12 -1.26 -4.56 116.66 119.04 3dos n ARG 89 Ca 0.11 -0.13 0.08 0.00 -1.93 0.00 0.00 57.85 55.98 3dos n ARG 89 Cb 0.44 -0.67 0.35 0.00 -1.16 0.00 0.00 32.46 31.42 3dos n ARG 89 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3dos n ASP 90 N -0.78 4.90 -3.65 0.55 5.75 -1.26 -4.54 116.55 117.53 3dos n ASP 90 Ca 0.00 -2.65 -0.02 0.00 -0.01 0.00 0.00 54.79 52.11 3dos n ASP 90 Cb 0.03 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 39.46 3dos n ASP 90 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3dos s LYS 91 N -2.22 0.24 0.49 0.11 2.20 -1.26 -4.79 119.74 114.51 3dos s LYS 91 Ca 0.50 0.37 -0.22 0.00 -0.36 0.00 0.00 55.97 56.25 3dos s LYS 91 Cb 0.35 0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 36.68 3dos s LYS 91 CO 0.20 -0.04 1.22 -1.21 -0.36 0.00 0.00 175.35 175.15 3dos s GLU 92 N 0.84 3.54 0.16 4.03 2.02 -0.31 -4.68 118.70 124.31 3dos s GLU 92 Ca -0.04 1.90 0.07 0.00 0.02 0.00 0.00 54.97 56.92 3dos s GLU 92 Cb -0.04 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 3dos s GLU 92 CO -0.12 -0.77 -0.01 -1.12 0.02 0.00 0.00 175.26 173.27 3dos s SER 93 N -1.27 4.77 -0.11 -0.19 0.01 -0.60 -4.85 113.70 111.46 3dos s SER 93 Ca 0.67 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.58 3dos s SER 93 Cb -0.32 -1.02 0.01 0.00 0.21 0.00 0.00 66.02 64.90 3dos s SER 93 CO 0.38 0.10 -0.19 -0.22 0.41 0.00 0.00 173.24 173.72 3dos s LEU 94 N -2.84 1.94 0.36 2.44 2.96 -1.26 -0.93 118.68 121.36 3dos s LEU 94 Ca 0.27 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3dos s LEU 94 Cb -0.10 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 3dos s LEU 94 CO 0.18 0.08 0.08 -0.54 -1.32 0.00 0.00 176.35 174.83 3dos s LYS 95 N 0.71 1.77 -0.04 1.98 1.02 -0.25 -4.85 119.74 120.08 3dos s LYS 95 Ca -0.11 -2.03 0.06 0.00 0.02 0.00 0.00 55.97 53.92 3dos s LYS 95 Cb -0.16 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 36.32 3dos s LYS 95 CO 0.02 -0.29 -0.23 -1.58 -0.92 0.00 0.00 175.35 172.34 3dos s TRP 96 N -3.25 2.23 -0.25 3.18 0.52 0.03 0.40 118.94 121.81 3dos s TRP 96 Ca 0.31 -0.59 -0.07 0.00 0.02 0.00 0.00 56.10 55.77 3dos s TRP 96 Cb 0.06 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.90 3dos s TRP 96 CO 0.14 -0.15 0.05 -1.17 0.02 0.00 0.00 176.95 175.84 3dos s LEU 97 N -0.25 3.36 -0.11 2.99 2.96 -0.19 -0.43 118.68 127.00 3dos s LEU 97 Ca 0.00 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3dos s LEU 97 Cb -0.12 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3dos s LEU 97 CO 0.02 -0.03 -0.09 0.00 -1.32 0.00 0.00 176.35 174.93 3dos s VAL 99 N -0.13 1.26 -0.13 0.00 1.01 -0.33 -1.19 120.40 120.89 3dos s VAL 99 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3dos s VAL 99 Cb -0.13 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3dos s VAL 99 CO 0.03 0.15 -0.14 -0.75 0.00 0.00 0.00 175.10 174.39 3dos s LYS 100 N 1.57 3.32 -0.42 2.72 2.20 0.14 -0.64 119.74 128.62 3dos s LYS 100 Ca 0.00 -0.72 -0.18 0.00 -0.36 0.00 0.00 55.97 54.72 3dos s LYS 100 Cb -0.15 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.58 3dos s LYS 100 CO -0.08 0.16 0.47 0.20 -0.36 0.00 0.00 175.35 175.74 3dos s GLY 101 N 0.48 1.86 -0.41 5.54 0.00 -0.92 -0.91 107.32 112.96 3dos s GLY 101 Ca -0.10 -1.45 -0.18 0.00 0.00 0.00 0.00 44.72 42.99 3dos s GLY 101 CO 0.05 1.23 0.49 -0.42 0.00 0.00 0.00 173.10 174.44 3dos s ILE 102 N 2.26 5.03 0.77 0.90 1.01 -0.15 -4.10 121.20 126.91 3dos s ILE 102 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 3dos s ILE 102 Cb -0.16 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.30 3dos s ILE 102 CO 0.15 -0.42 1.08 -2.84 0.00 0.00 0.00 174.94 172.91 3dos s PRO 103 N 2.31 2.29 0.69 2.79 0.02 -1.26 -1.25 135.00 140.59 3dos s PRO 103 Ca 0.15 0.91 -0.11 0.00 0.02 0.00 0.00 61.00 61.97 3dos s PRO 103 Cb -0.16 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.44 3dos s PRO 103 CO 0.15 -1.55 1.06 -1.25 -0.33 0.00 0.00 177.00 175.08 3dos s PRO 104 N -5.02 2.98 1.01 5.54 0.04 -1.26 -4.89 135.00 133.41 3dos s PRO 104 Ca 0.60 0.82 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 3dos s PRO 104 Cb -0.16 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 3dos s PRO 104 CO 0.55 -1.04 -0.94 0.36 0.04 0.00 0.00 177.00 175.97 3dos n LYS 105 N -3.07 -0.28 -1.17 4.56 0.00 -1.26 -5.17 118.16 111.78 3dos n LYS 105 Ca 0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3dos n LYS 105 Cb 0.54 -1.18 0.00 0.00 -0.00 0.00 0.00 35.03 34.39 3dos n LYS 105 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dos n ASP 125 N 2.29 0.00 -4.60 -5.58 9.92 -1.26 -5.26 116.55 112.06 3dos n ASP 125 Ca -0.01 0.78 -0.41 0.00 -0.53 0.00 0.00 54.79 54.61 3dos n ASP 125 Cb 0.66 -1.17 -0.06 0.00 -0.64 0.00 0.00 41.12 39.92 3dos n ASP 125 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3dos s VAL 126 N -0.52 4.88 -0.33 2.53 1.01 -1.26 -5.05 120.40 121.66 3dos s VAL 126 Ca 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 3dos s VAL 126 Cb 0.00 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.34 3dos s VAL 126 CO 0.00 -0.21 0.13 -0.83 0.00 0.00 0.00 175.10 174.19 3dos s GLY 127 N 1.68 1.86 -0.23 4.51 0.00 -1.26 -5.09 107.32 108.78 3dos s GLY 127 Ca 0.27 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 43.21 3dos s GLY 127 CO 0.13 0.75 0.46 -1.34 0.00 0.00 0.00 173.10 173.10 3dos s VAL 128 N 1.50 5.13 -0.32 1.40 -7.23 -1.26 -5.06 120.40 114.56 3dos s VAL 128 Ca 0.01 0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 60.94 3dos s VAL 128 Cb -0.18 -3.78 0.05 0.00 0.56 0.00 0.00 36.38 33.02 3dos s VAL 128 CO 0.04 0.16 0.06 -0.36 -0.31 0.00 0.00 175.10 174.69 3dos s PHE 129 N 1.85 3.28 -0.05 2.82 2.99 -1.26 -5.11 117.98 122.50 3dos s PHE 129 Ca 0.20 -1.71 0.01 0.00 0.00 0.00 0.00 56.93 55.43 3dos s PHE 129 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 43.02 40.60 3dos s PHE 129 CO 0.09 -0.78 -0.06 0.54 -0.00 0.00 0.00 175.22 175.01 3dos s VAL 130 N 1.31 3.79 -0.10 -0.44 0.11 -1.26 -5.11 120.40 118.70 3dos s VAL 130 Ca -0.03 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 3dos s VAL 130 Cb -0.20 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.08 3dos s VAL 130 CO 0.00 0.55 -0.18 -1.58 -3.33 0.00 0.00 175.10 170.56 3dos s GLN 131 N -0.97 2.45 0.27 1.54 2.00 -1.26 -5.11 119.66 118.58 3dos s GLN 131 Ca 0.14 -0.66 0.08 0.00 -2.00 0.00 0.00 55.36 52.91 3dos s GLN 131 Cb -0.11 -1.95 -0.04 0.00 0.80 0.00 0.00 33.01 31.71 3dos s GLN 131 CO 0.03 0.05 0.18 -0.06 -0.50 0.00 0.00 175.29 175.00 3dos s PHE 132 N 0.65 2.99 -0.12 1.67 0.40 -1.26 -5.13 117.98 117.18 3dos s PHE 132 Ca -0.13 -0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 3dos s PHE 132 Cb -0.16 -1.45 0.06 0.00 0.51 0.00 0.00 43.02 41.97 3dos s PHE 132 CO 0.04 0.47 0.25 0.00 0.70 0.00 0.00 175.22 176.67 3dos s ALA 133 N -2.21 -0.50 -0.04 5.36 0.00 -1.26 -4.66 121.76 118.45 3dos s ALA 133 Ca 0.34 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 3dos s ALA 133 Cb -0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 3dos s ALA 133 CO 0.24 -0.63 1.10 0.42 0.00 0.00 0.00 175.76 176.89 3dos s ILE 134 N 2.40 4.50 -0.38 0.00 1.01 -1.26 -4.94 121.20 122.53 3dos s ILE 134 Ca 0.01 1.80 -0.06 0.00 0.00 0.00 0.00 60.65 62.40 3dos s ILE 134 Cb -0.12 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.27 3dos s ILE 134 CO -0.08 0.05 0.18 0.21 0.00 0.00 0.00 174.94 175.29 3dos s ASN 135 N 1.21 5.36 -0.44 3.58 2.47 -1.26 -2.16 114.94 123.71 3dos s ASN 135 Ca 0.53 -1.53 -0.18 0.00 0.42 0.00 0.00 52.86 52.10 3dos s ASN 135 Cb -0.23 -1.88 0.03 0.00 -1.45 0.00 0.00 41.25 37.72 3dos s ASN 135 CO 0.23 -0.46 0.48 0.21 -3.72 0.00 0.00 177.10 173.84 3dos s ASN 136 N 1.78 6.21 -0.12 -4.21 3.84 0.19 -4.88 114.94 117.76 3dos s ASN 136 Ca 0.02 -0.71 -0.02 0.00 0.21 0.00 0.00 52.86 52.36 3dos s ASN 136 Cb -0.22 -2.24 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 3dos s ASN 136 CO 0.00 -0.64 -0.02 0.00 -2.79 0.00 0.00 177.10 173.65 3dos s ILE 138 N -0.28 1.64 0.19 0.00 -4.36 -0.08 -4.97 121.20 113.34 3dos s ILE 138 Ca 0.05 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.24 3dos s ILE 138 Cb -0.12 -1.78 -0.08 0.00 1.25 0.00 0.00 42.46 41.72 3dos s ILE 138 CO 0.02 -0.40 1.21 -0.54 0.24 0.00 0.00 174.94 175.47 3dos s LYS 139 N -2.92 4.48 -0.41 0.37 1.02 -1.26 -1.02 119.74 120.00 3dos s LYS 139 Ca 0.15 1.90 -0.05 0.00 0.02 0.00 0.00 55.97 57.98 3dos s LYS 139 Cb -0.04 -3.23 0.10 0.00 -0.52 0.00 0.00 37.83 34.13 3dos s LYS 139 CO 0.05 -0.10 0.23 -1.17 -0.92 0.00 0.00 175.35 173.44 3dos s LEU 140 N -0.27 5.22 -0.35 3.17 2.96 0.16 -1.25 118.68 128.32 3dos s LEU 140 Ca 0.53 -1.84 -0.17 0.00 -0.22 0.00 0.00 54.13 52.43 3dos s LEU 140 Cb -0.33 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 3dos s LEU 140 CO 0.37 -0.55 0.45 -0.76 -1.32 0.00 0.00 176.35 174.54 3dos s LEU 141 N 1.25 4.41 -0.34 -0.68 1.43 0.15 -1.09 118.68 123.81 3dos s LEU 141 Ca 0.06 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 3dos s LEU 141 Cb -0.23 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.50 3dos s LEU 141 CO -0.02 -0.43 0.67 -0.69 0.23 0.00 0.00 176.35 176.11 3dos s VAL 142 N 2.24 4.87 -0.24 -1.59 1.01 -0.10 0.81 120.40 127.40 3dos s VAL 142 Ca 0.16 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3dos s VAL 142 Cb -0.16 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.17 3dos s VAL 142 CO 0.13 -0.28 -0.10 -0.60 0.00 0.00 0.00 175.10 174.25 3dos s ARG 143 N 2.77 2.67 0.24 2.72 3.52 0.19 -1.56 118.95 129.50 3dos s ARG 143 Ca 0.26 -1.07 -0.30 0.00 -0.13 0.00 0.00 55.73 54.49 3dos s ARG 143 Cb -0.14 -2.89 -0.10 0.00 -1.56 0.00 0.00 34.95 30.26 3dos s ARG 143 CO 0.14 -0.43 1.36 -1.25 -0.81 0.00 0.00 175.30 174.32 3dos s PRO 144 N 1.25 4.34 0.58 5.12 0.04 -1.26 -0.28 135.00 144.78 3dos s PRO 144 Ca -0.02 2.18 0.38 0.00 0.04 0.00 0.00 61.00 63.59 3dos s PRO 144 Cb -0.17 -3.14 2.08 0.00 0.04 0.00 0.00 34.50 33.31 3dos s PRO 144 CO -0.06 -0.31 2.17 -0.91 0.04 0.00 0.00 177.00 177.93 3dos h ASN 145 N 4.87 0.00 0.30 6.66 -0.26 -1.93 0.43 115.58 125.65 3dos h ASN 145 Ca -0.46 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.26 3dos h ASN 145 Cb 1.22 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.48 3dos h ASN 145 CO 0.75 0.00 -0.08 1.05 -1.06 0.00 0.00 177.43 178.09 3dos h GLU 146 N 0.00 0.00 -6.92 0.81 9.09 -1.89 -3.43 114.58 112.24 3dos h GLU 146 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 3dos h GLU 146 Cb 0.04 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.16 3dos h GLU 146 CO 0.00 0.08 0.42 -0.51 0.05 0.00 0.00 179.01 179.05 3dos s LEU 147 N -7.19 4.25 -0.13 3.06 1.43 0.14 -5.04 118.68 115.21 3dos s LEU 147 Ca -0.03 2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 3dos s LEU 147 Cb 0.13 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 3dos s LEU 147 CO 0.56 -0.39 -0.06 -0.54 0.23 0.00 0.00 176.35 176.15 3dos s LYS 148 N -2.20 3.37 2.52 1.70 1.02 -1.26 -5.01 119.74 119.88 3dos s LYS 148 Ca 0.54 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.97 3dos s LYS 148 Cb -0.24 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3dos s LYS 148 CO 0.31 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.50 3dos n GLY 149 N 3.18 -0.86 3.32 -3.33 0.00 -1.26 -4.98 105.19 101.26 3dos n GLY 149 Ca -0.18 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3dos n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dos s THR 150 N 0.00 0.06 0.42 2.61 -4.23 -1.26 -5.07 115.64 108.18 3dos s THR 150 Ca 0.00 -1.52 0.18 0.00 -1.18 0.00 0.00 61.69 59.17 3dos s THR 150 Cb 0.00 -1.95 0.38 0.00 1.34 0.00 0.00 72.50 72.27 3dos s THR 150 CO 0.00 -0.28 1.85 -0.65 -0.54 0.00 0.00 174.62 175.01 3dos h PRO 151 N 2.58 0.38 0.00 3.99 0.11 -1.93 -2.05 132.00 135.07 3dos h PRO 151 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3dos h PRO 151 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dos h PRO 151 CO 0.49 0.25 0.00 -0.84 -0.21 0.00 0.00 178.00 177.69 3dos h ILE 152 N 0.39 0.00 0.00 4.15 3.07 -1.97 -0.77 117.51 122.38 3dos h ILE 152 Ca 0.47 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.69 3dos h ILE 152 Cb 1.20 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 3dos h ILE 152 CO -0.17 0.00 -0.08 1.56 -1.05 0.00 0.00 178.15 178.41 3dos h GLN 153 N 0.00 0.00 -0.00 0.16 4.20 -1.80 -3.34 115.11 114.33 3dos h GLN 153 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dos h GLN 153 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3dos h GLN 153 CO 0.00 0.00 -0.00 1.19 -0.67 0.00 0.00 178.83 179.35 3dos n PHE 154 N -2.96 0.00 0.16 2.96 3.01 -0.40 -4.71 117.46 115.52 3dos n PHE 154 Ca 0.04 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.63 3dos n PHE 154 Cb 0.52 0.00 0.68 0.00 -0.01 0.00 0.00 39.48 40.67 3dos n PHE 154 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dos h ALA 155 N 0.24 2.17 0.00 4.37 0.00 -1.39 -1.57 119.26 123.08 3dos h ALA 155 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dos h ALA 155 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dos h ALA 155 CO 0.00 -0.28 0.00 1.49 0.00 0.00 0.00 179.25 180.46 3dos h GLU 156 N 0.00 0.00 -0.15 0.00 4.81 -1.85 -3.31 114.58 114.08 3dos h GLU 156 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3dos h GLU 156 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3dos h GLU 156 CO -0.00 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.37 3dos n ASN 157 N -2.72 1.72 -4.73 1.04 3.02 -0.59 -4.87 115.26 108.14 3dos n ASN 157 Ca 0.03 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.46 3dos n ASN 157 Cb 0.35 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 3dos n ASN 157 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dos n LEU 158 N 0.36 4.15 -4.63 3.41 4.77 -1.25 -4.68 117.00 119.12 3dos n LEU 158 Ca 0.17 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 57.04 3dos n LEU 158 Cb 0.35 -1.57 -0.08 0.00 -2.33 0.00 0.00 43.42 39.79 3dos n LEU 158 CO 0.14 0.07 -0.34 -0.94 -1.33 0.00 0.00 177.39 174.98 3dos s SER 159 N 0.55 4.54 0.12 -1.43 1.04 -1.01 -4.94 113.70 112.57 3dos s SER 159 Ca 0.66 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.58 3dos s SER 159 Cb -0.52 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.70 3dos s SER 159 CO 0.47 0.04 -0.16 0.26 0.98 0.00 0.00 173.24 174.83 3dos s TRP 160 N -2.06 1.53 -0.20 5.02 0.52 -1.26 -0.26 118.94 122.23 3dos s TRP 160 Ca 0.29 -0.50 -0.16 0.00 0.02 0.00 0.00 56.10 55.74 3dos s TRP 160 Cb -0.08 -0.80 0.06 0.00 -1.15 0.00 0.00 33.47 31.50 3dos s TRP 160 CO 0.19 0.19 0.52 0.15 0.02 0.00 0.00 176.95 178.01 3dos s LYS 161 N -2.49 0.58 -0.21 4.98 1.02 -0.80 -4.71 119.74 118.12 3dos s LYS 161 Ca 0.09 0.79 -0.14 0.00 0.02 0.00 0.00 55.97 56.73 3dos s LYS 161 Cb -0.06 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 3dos s LYS 161 CO 0.04 -0.10 0.33 0.08 -0.92 0.00 0.00 175.35 174.78 3dos s VAL 162 N 0.63 5.25 -0.30 3.17 1.01 -1.26 0.25 120.40 129.15 3dos s VAL 162 Ca -0.03 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 3dos s VAL 162 Cb -0.05 -3.66 0.19 0.00 0.00 0.00 0.00 36.38 32.86 3dos s VAL 162 CO -0.04 0.28 0.64 -0.62 0.00 0.00 0.00 175.10 175.36 3dos s ASP 163 N 1.04 -1.33 0.00 3.32 -1.08 -0.64 -4.96 116.67 113.01 3dos s ASP 163 Ca 0.16 0.72 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 3dos s ASP 163 Cb -0.14 2.07 0.00 0.00 -1.46 0.00 0.00 42.92 43.39 3dos s ASP 163 CO 0.07 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.12 3dos n GLY 164 N 5.43 0.69 2.25 2.66 0.00 -1.26 -3.51 105.19 111.44 3dos n GLY 164 Ca -0.01 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 3dos n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dos n GLY 165 N -1.38 0.51 2.98 -0.02 0.00 -1.26 -5.03 105.19 100.98 3dos n GLY 165 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 3dos n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dos s LYS 166 N -3.78 0.43 -0.46 1.61 1.02 -1.23 -3.45 119.74 113.88 3dos s LYS 166 Ca 0.00 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.45 3dos s LYS 166 Cb 0.00 -0.38 0.03 0.00 -0.52 0.00 0.00 37.83 36.96 3dos s LYS 166 CO 0.00 0.10 0.88 -1.17 -0.92 0.00 0.00 175.35 174.24 3dos s LEU 167 N -0.39 4.09 -0.22 3.17 2.96 -0.56 -1.63 118.68 126.10 3dos s LEU 167 Ca -0.00 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 3dos s LEU 167 Cb -0.03 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 3dos s LEU 167 CO -0.00 -1.02 0.11 -0.63 -1.32 0.00 0.00 176.35 173.48 3dos s ILE 168 N 3.62 4.98 -0.08 6.68 1.01 0.14 -1.01 121.20 136.55 3dos s ILE 168 Ca 0.34 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 3dos s ILE 168 Cb -0.11 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 3dos s ILE 168 CO 0.25 0.40 0.30 0.00 0.00 0.00 0.00 174.94 175.88 3dos s ALA 169 N 0.82 3.73 -0.17 9.38 0.00 -0.05 -1.91 121.76 133.56 3dos s ALA 169 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 3dos s ALA 169 Cb -0.13 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 3dos s ALA 169 CO 0.02 0.43 -0.09 -2.00 0.00 0.00 0.00 175.76 174.12 3dos s GLU 170 N -0.68 3.42 -0.56 0.00 2.56 0.64 -1.53 118.70 122.54 3dos s GLU 170 Ca 0.19 -0.64 -0.02 0.00 0.00 0.00 0.00 54.97 54.51 3dos s GLU 170 Cb -0.14 -2.81 0.15 0.00 2.00 0.00 0.00 34.13 33.32 3dos s GLU 170 CO 0.08 0.06 0.36 1.21 -0.56 0.00 0.00 175.26 176.41 3dos s ASN 171 N 0.79 5.08 0.00 -1.70 2.47 0.83 -2.39 114.94 120.02 3dos s ASN 171 Ca -0.03 -2.72 0.17 0.00 0.42 0.00 0.00 52.86 50.70 3dos s ASN 171 Cb -0.15 -1.81 0.80 0.00 -1.45 0.00 0.00 41.25 38.64 3dos s ASN 171 CO 0.01 -0.38 1.54 -0.81 -3.72 0.00 0.00 177.10 173.75 3dos n PRO 172 N 3.63 0.10 -2.96 0.43 -0.04 -1.26 -0.72 135.00 134.18 3dos n PRO 172 Ca 0.06 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.45 3dos n PRO 172 Cb 0.38 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 3dos n PRO 172 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dos s SER 173 N -2.83 5.88 -0.00 3.54 1.04 -1.26 -4.56 113.70 115.51 3dos s SER 173 Ca 0.12 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.95 3dos s SER 173 Cb 0.12 -1.62 0.13 0.00 0.10 0.00 0.00 66.02 64.74 3dos s SER 173 CO 0.30 -0.68 1.08 -0.81 0.98 0.00 0.00 173.24 174.10 3dos n PRO 174 N -2.09 1.35 -4.17 4.02 -0.04 -1.26 -1.65 135.00 131.15 3dos n PRO 174 Ca 0.01 -0.51 -0.30 0.00 -0.04 0.00 0.00 63.50 62.66 3dos n PRO 174 Cb 0.57 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 3dos n PRO 174 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dos s PHE 175 N -1.78 2.87 0.15 0.54 0.40 -1.26 -1.16 117.98 117.74 3dos s PHE 175 Ca 0.09 -0.09 -0.31 0.00 -0.60 0.00 0.00 56.93 56.02 3dos s PHE 175 Cb 0.05 -1.48 -0.10 0.00 0.51 0.00 0.00 43.02 42.00 3dos s PHE 175 CO 0.06 0.46 1.64 0.71 0.70 0.00 0.00 175.22 178.79 3dos s TYR 176 N -1.27 2.82 -0.64 0.36 1.51 -1.26 -3.71 117.35 115.15 3dos s TYR 176 Ca 0.24 0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 56.58 3dos s TYR 176 Cb -0.11 -4.01 0.15 0.00 -0.11 0.00 0.00 41.96 37.88 3dos s TYR 176 CO 0.16 -3.84 0.64 -1.64 -1.11 0.00 0.00 175.55 169.76 3dos s MET 177 N 1.58 3.19 -1.03 -0.62 -1.94 0.06 -4.95 119.30 115.59 3dos s MET 177 Ca 0.73 -1.83 -0.17 0.00 -1.71 0.00 0.00 55.69 52.70 3dos s MET 177 Cb -0.45 -4.36 0.14 0.00 2.01 0.00 0.00 34.83 32.18 3dos s MET 177 CO 0.32 -1.38 1.25 -0.80 -0.01 0.00 0.00 175.02 174.40 3dos s ASN 178 N 3.23 6.77 0.14 3.03 0.02 -1.26 -0.63 114.94 126.23 3dos s ASN 178 Ca 0.10 -2.34 -0.31 0.00 -1.02 0.00 0.00 52.86 49.29 3dos s ASN 178 Cb -0.22 -2.41 -0.10 0.00 0.02 0.00 0.00 41.25 38.54 3dos s ASN 178 CO -0.00 -0.98 1.64 -0.63 0.02 0.00 0.00 177.10 177.15 3dos s ILE 179 N 2.44 2.64 -0.39 0.60 1.01 -1.25 -0.18 121.20 126.08 3dos s ILE 179 Ca 0.37 0.36 0.13 0.00 0.00 0.00 0.00 60.65 61.50 3dos s ILE 179 Cb -0.04 -3.23 -0.16 0.00 0.01 0.00 0.00 42.46 39.04 3dos s ILE 179 CO -0.06 0.02 0.44 0.61 0.00 0.00 0.00 174.94 175.95 3dos n GLY 180 N 3.90 -0.32 3.33 6.18 0.00 -0.28 -4.26 105.19 113.74 3dos n GLY 180 Ca 0.15 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3dos n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dos s GLU 181 N -2.42 0.49 -0.17 1.61 2.12 -1.17 -4.92 118.70 114.23 3dos s GLU 181 Ca 0.01 0.68 -0.07 0.00 0.36 0.00 0.00 54.97 55.96 3dos s GLU 181 Cb 0.09 0.18 0.08 0.00 0.26 0.00 0.00 34.13 34.73 3dos s GLU 181 CO 0.52 -0.09 0.37 -1.17 -0.54 0.00 0.00 175.26 174.35 3dos s LEU 182 N 0.58 -0.44 -0.02 2.70 2.96 -1.26 -1.94 118.68 121.26 3dos s LEU 182 Ca -0.03 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 3dos s LEU 182 Cb -0.05 1.17 0.00 0.00 0.50 0.00 0.00 46.19 47.82 3dos s LEU 182 CO -0.04 -0.23 -0.07 0.42 -1.32 0.00 0.00 176.35 175.12 3dos s THR 183 N 2.33 0.59 -0.10 3.68 -4.23 0.37 -0.47 115.64 117.81 3dos s THR 183 Ca -0.02 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 3dos s THR 183 Cb -0.11 -0.53 0.02 0.00 1.34 0.00 0.00 72.50 73.22 3dos s THR 183 CO -0.12 0.19 -0.09 0.12 -0.54 0.00 0.00 174.62 174.19 3dos s PHE 184 N 0.18 1.46 -1.70 3.99 5.36 0.36 -0.01 117.98 127.63 3dos s PHE 184 Ca -0.02 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.28 3dos s PHE 184 Cb -0.07 -1.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.44 3dos s PHE 184 CO -0.00 -0.44 0.00 0.41 -1.46 0.00 0.00 175.22 173.73 3dos n GLY 185 N 4.59 -0.47 1.65 13.12 0.00 -0.65 -1.67 105.19 121.76 3dos n GLY 185 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3dos n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dos n GLY 186 N -0.98 1.41 3.70 -0.02 0.00 -1.26 -5.04 105.19 102.99 3dos n GLY 186 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3dos n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dos s LYS 187 N -0.45 3.09 0.16 1.61 1.02 -0.67 -5.08 119.74 119.42 3dos s LYS 187 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 3dos s LYS 187 Cb 0.00 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.38 3dos s LYS 187 CO 0.00 0.68 1.10 0.45 -0.92 0.00 0.00 175.35 176.66 3dos s SER 188 N -0.82 7.26 -0.15 2.83 0.15 -1.26 -0.48 113.70 121.23 3dos s SER 188 Ca 0.13 2.05 -0.01 0.00 0.70 0.00 0.00 55.95 58.82 3dos s SER 188 Cb -0.12 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.58 3dos s SER 188 CO 0.02 -0.24 -0.12 -0.63 1.20 0.00 0.00 173.24 173.47 3dos s ILE 189 N -0.05 3.04 0.19 6.45 -1.09 0.38 -4.92 121.20 125.20 3dos s ILE 189 Ca 0.50 -0.65 -0.32 0.00 -2.23 0.00 0.00 60.65 57.95 3dos s ILE 189 Cb -0.29 -2.30 -0.11 0.00 -1.58 0.00 0.00 42.46 38.18 3dos s ILE 189 CO 0.34 0.51 1.69 -2.16 -1.23 0.00 0.00 174.94 174.08 3dos s PRO 190 N 0.60 4.15 0.61 2.79 0.04 -1.26 -4.28 135.00 137.65 3dos s PRO 190 Ca -0.07 2.54 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 3dos s PRO 190 Cb -0.15 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.31 3dos s PRO 190 CO 0.03 -0.72 0.87 -1.54 0.04 0.00 0.00 177.00 175.68 3dos s SER 191 N 1.27 5.02 0.13 6.66 1.04 -1.26 -5.01 113.70 121.56 3dos s SER 191 Ca 0.74 0.05 -0.22 0.00 0.48 0.00 0.00 55.95 57.00 3dos s SER 191 Cb -0.48 -0.80 0.06 0.00 0.10 0.00 0.00 66.02 64.91 3dos s SER 191 CO 0.32 -1.36 0.55 -2.28 0.98 0.00 0.00 173.24 171.45 3dos s HIS 192 N -2.94 -0.46 0.47 5.02 5.04 -1.26 -5.04 115.29 116.12 3dos s HIS 192 Ca 0.59 0.28 -0.22 0.00 -1.54 0.00 0.00 55.06 54.17 3dos s HIS 192 Cb -0.10 0.47 -0.07 0.00 0.04 0.00 0.00 32.58 32.92 3dos s HIS 192 CO 0.41 -0.79 1.14 1.52 -2.34 0.00 0.00 174.74 174.68 3dos s TYR 193 N -3.55 2.88 -0.25 3.88 -0.85 -1.26 -3.78 117.35 114.41 3dos s TYR 193 Ca 0.00 1.55 -0.10 0.00 -0.52 0.00 0.00 57.07 58.01 3dos s TYR 193 Cb -0.00 -3.32 -0.05 0.00 0.38 0.00 0.00 41.96 38.98 3dos s TYR 193 CO -0.11 -1.39 0.15 0.42 -1.52 0.00 0.00 175.55 173.09 3dos s ILE 194 N -1.63 5.10 0.76 -3.49 -1.09 0.19 -4.91 121.20 116.14 3dos s ILE 194 Ca 0.65 0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 59.06 3dos s ILE 194 Cb -0.26 -3.39 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 3dos s ILE 194 CO 0.31 0.31 1.09 -2.84 -1.23 0.00 0.00 174.94 172.58 3dos s PRO 195 N 1.40 2.33 0.34 2.79 0.02 -1.26 -0.77 135.00 139.85 3dos s PRO 195 Ca 0.07 1.13 -0.29 0.00 0.02 0.00 0.00 61.00 61.93 3dos s PRO 195 Cb -0.15 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.36 3dos s PRO 195 CO 0.07 -1.58 1.42 -1.25 -0.33 0.00 0.00 177.00 175.32 3dos s PRO 196 N -4.92 4.23 -1.50 5.54 0.04 -1.24 -3.19 135.00 133.95 3dos s PRO 196 Ca 0.61 2.40 -0.10 0.00 0.04 0.00 0.00 61.00 63.95 3dos s PRO 196 Cb -0.17 -3.03 0.07 0.00 0.04 0.00 0.00 34.50 31.41 3dos s PRO 196 CO 0.56 -0.39 0.82 1.63 0.04 0.00 0.00 177.00 179.66 3dos n LYS 197 N 0.96 -4.76 -1.03 4.56 5.02 0.11 -4.90 118.16 118.12 3dos n LYS 197 Ca 0.02 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3dos n LYS 197 Cb 0.40 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 3dos n LYS 197 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dos n SER 198 N -2.87 0.00 -4.23 4.39 2.88 -0.90 -4.97 113.62 107.92 3dos n SER 198 Ca -0.07 -0.86 -0.13 0.00 -1.33 0.00 0.00 58.87 56.48 3dos n SER 198 Cb 0.57 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 3dos n SER 198 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dos s THR 199 N -2.79 0.27 -0.09 2.46 -4.23 -1.26 -0.12 115.64 109.89 3dos s THR 199 Ca 0.00 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 3dos s THR 199 Cb 0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.46 3dos s THR 199 CO 0.00 -0.14 0.24 0.86 -0.54 0.00 0.00 174.62 175.03 3dos s TRP 200 N -3.96 -0.27 -0.16 3.99 -0.11 -0.58 -4.58 118.94 113.28 3dos s TRP 200 Ca 0.34 0.66 -0.06 0.00 1.22 0.00 0.00 56.10 58.26 3dos s TRP 200 Cb 0.07 0.08 -0.04 0.00 -1.50 0.00 0.00 33.47 32.09 3dos s TRP 200 CO 0.10 -0.14 0.03 0.00 -4.62 0.00 0.00 176.95 172.32 3dos s ALA 201 N 0.28 3.33 0.12 5.86 0.00 -1.26 -0.87 121.76 129.21 3dos s ALA 201 Ca -0.01 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.26 3dos s ALA 201 Cb -0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3dos s ALA 201 CO -0.01 0.28 -0.10 -0.06 0.00 0.00 0.00 175.76 175.87 3dos s PHE 202 N 0.08 2.73 0.42 0.00 0.40 -0.18 -4.98 117.98 116.45 3dos s PHE 202 Ca 0.04 -0.16 -0.20 0.00 -0.60 0.00 0.00 56.93 56.01 3dos s PHE 202 Cb -0.13 -1.41 -0.10 0.00 0.51 0.00 0.00 43.02 41.89 3dos s PHE 202 CO 0.01 0.44 0.91 -0.51 0.70 0.00 0.00 175.22 176.78 3dos s ASP 203 N -2.31 6.88 0.30 1.36 1.01 -1.26 -1.50 116.67 121.15 3dos s ASP 203 Ca 0.22 1.61 -0.28 0.00 0.71 0.00 0.00 52.55 54.81 3dos s ASP 203 Cb -0.11 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 3dos s ASP 203 CO 0.14 -0.35 1.00 -0.76 0.21 0.00 0.00 175.17 175.41 3dos s LEU 204 N -3.22 4.45 -0.06 1.23 1.43 -1.22 -4.71 118.68 116.57 3dos s LEU 204 Ca 0.60 2.01 -0.02 0.00 -1.03 0.00 0.00 54.13 55.69 3dos s LEU 204 Cb -0.09 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 3dos s LEU 204 CO 0.15 -0.09 -0.04 1.55 0.23 0.00 0.00 176.35 178.15 3dos h PRO 205 N 3.51 0.00 -3.35 1.29 0.14 -1.94 -3.51 132.00 128.13 3dos h PRO 205 Ca -0.46 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.68 3dos h PRO 205 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 3dos h PRO 205 CO 0.66 0.00 0.00 0.27 0.14 0.00 0.00 178.00 179.07 3dos n ASN 213 N -3.48 -3.32 -4.83 1.44 6.94 -1.26 -5.16 115.26 105.59 3dos n ASN 213 Ca -0.02 0.59 -0.37 0.00 -0.02 0.00 0.00 54.58 54.76 3dos n ASN 213 Cb 0.07 -0.92 -0.06 0.00 -2.36 0.00 0.00 39.78 36.50 3dos n ASN 213 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3dos s VAL 214 N 0.00 5.40 0.03 3.53 1.01 0.51 -1.64 120.40 129.24 3dos s VAL 214 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.39 3dos s VAL 214 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3dos s VAL 214 CO 0.00 0.56 -0.23 -0.44 0.00 0.00 0.00 175.10 174.99 3dos s SER 215 N -0.66 2.71 0.02 3.32 0.01 0.99 -1.17 113.70 118.93 3dos s SER 215 Ca 0.15 -0.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.71 3dos s SER 215 Cb -0.13 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 65.89 3dos s SER 215 CO 0.04 0.22 0.44 -1.66 0.41 0.00 0.00 173.24 172.70 3dos s TRP 216 N -0.72 -0.32 0.02 2.43 -2.14 -0.46 -0.48 118.94 117.26 3dos s TRP 216 Ca 0.09 0.40 0.04 0.00 2.66 0.00 0.00 56.10 59.29 3dos s TRP 216 Cb -0.09 0.24 -0.02 0.00 -3.10 0.00 0.00 33.47 30.50 3dos s TRP 216 CO 0.01 -0.55 -0.13 1.03 -2.66 0.00 0.00 176.95 174.65 3dos s ARG 217 N -2.05 0.93 0.44 3.25 0.52 -0.82 -0.45 118.95 120.78 3dos s ARG 217 Ca -0.08 -0.62 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 3dos s ARG 217 Cb -0.02 -0.91 0.01 0.00 0.52 0.00 0.00 34.95 34.55 3dos s ARG 217 CO 0.01 0.23 0.63 0.96 0.02 0.00 0.00 175.30 177.15 3dos s ILE 218 N -0.63 3.43 -0.25 1.52 -4.36 -1.26 -1.12 121.20 118.52 3dos s ILE 218 Ca 0.02 -0.77 -0.13 0.00 -0.26 0.00 0.00 60.65 59.51 3dos s ILE 218 Cb -0.07 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.37 3dos s ILE 218 CO 0.01 -0.13 0.28 -0.63 0.24 0.00 0.00 174.94 174.71 3dos s ILE 219 N -2.48 5.26 1.17 8.37 1.01 0.74 -0.14 121.20 135.13 3dos s ILE 219 Ca 0.51 0.40 -0.18 0.00 0.00 0.00 0.00 60.65 61.38 3dos s ILE 219 Cb -0.10 -3.61 0.27 0.00 0.01 0.00 0.00 42.46 39.03 3dos s ILE 219 CO 0.35 0.24 1.10 0.54 0.00 0.00 0.00 174.94 177.18 3dos s ASN 220 N 1.42 1.20 0.20 3.58 2.20 -0.10 -4.67 114.94 118.78 3dos s ASN 220 Ca 0.12 0.74 0.17 0.00 -0.94 0.00 0.00 52.86 52.95 3dos s ASN 220 Cb -0.15 -1.07 0.82 0.00 -2.00 0.00 0.00 41.25 38.85 3dos s ASN 220 CO 0.08 -3.96 1.52 0.47 -2.94 0.00 0.00 177.10 172.27 3dos n ASP 221 N -4.67 0.41 -0.74 3.54 8.00 -1.26 -1.31 116.55 120.52 3dos n ASP 221 Ca 0.11 0.65 0.09 0.00 0.71 0.00 0.00 54.79 56.35 3dos n ASP 221 Cb 0.59 -0.72 0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3dos n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dos n GLN 222 N -2.01 1.62 -0.23 -1.24 3.00 -1.26 -4.81 117.38 112.45 3dos n GLN 222 Ca 0.00 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 3dos n GLN 222 Cb 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 28.99 3dos n GLN 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dos n GLY 223 N 0.99 0.73 3.91 1.08 0.00 -0.43 -4.81 105.19 106.66 3dos n GLY 223 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3dos n GLY 223 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dos s GLY 224 N -1.55 2.11 -0.07 -0.02 0.00 -1.26 -4.79 107.32 101.74 3dos s GLY 224 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 3dos s GLY 224 CO 0.00 -0.56 1.52 1.08 0.00 0.00 0.00 173.10 175.14 3dos s LEU 225 N -2.86 4.28 0.00 0.66 1.43 -1.26 -0.92 118.68 120.02 3dos s LEU 225 Ca 0.40 2.08 -0.14 0.00 -1.03 0.00 0.00 54.13 55.44 3dos s LEU 225 Cb -0.12 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.76 3dos s LEU 225 CO 0.26 -0.85 1.06 -0.67 0.23 0.00 0.00 176.35 176.38 3dos n ASP 226 N 6.73 -0.16 -4.76 2.29 2.03 0.80 -4.92 116.55 118.56 3dos n ASP 226 Ca 0.16 -1.35 -0.31 0.00 0.52 0.00 0.00 54.79 53.81 3dos n ASP 226 Cb 0.43 -0.83 0.10 0.00 -0.72 0.00 0.00 41.12 40.10 3dos n ASP 226 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dos s ARG 227 N -5.33 2.18 -0.10 -0.67 1.70 -1.26 -4.67 118.95 110.79 3dos s ARG 227 Ca 0.61 1.22 -0.27 0.00 -0.47 0.00 0.00 55.73 56.82 3dos s ARG 227 Cb -0.02 -1.88 -0.02 0.00 -0.57 0.00 0.00 34.95 32.45 3dos s ARG 227 CO 0.43 -1.71 0.89 -1.17 -1.08 0.00 0.00 175.30 172.66 3dos s LEU 228 N -5.91 4.25 0.17 -1.89 2.96 -1.26 -4.44 118.68 112.57 3dos s LEU 228 Ca 0.62 1.36 0.07 0.00 -0.22 0.00 0.00 54.13 55.96 3dos s LEU 228 Cb -0.18 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3dos s LEU 228 CO 0.55 -0.34 0.05 -0.31 -1.32 0.00 0.00 176.35 174.98 3dos s TYR 229 N 1.69 2.95 -0.09 5.38 1.51 0.41 -4.96 117.35 124.25 3dos s TYR 229 Ca 0.43 -0.09 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 3dos s TYR 229 Cb -0.18 -1.42 0.04 0.00 -0.11 0.00 0.00 41.96 40.28 3dos s TYR 229 CO 0.18 0.52 0.22 -1.12 -1.11 0.00 0.00 175.55 174.24 3dos s SER 230 N -3.02 -0.23 0.09 2.29 0.01 -1.26 -1.36 113.70 110.21 3dos s SER 230 Ca 0.29 0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.88 3dos s SER 230 Cb -0.09 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.55 3dos s SER 230 CO 0.20 -0.13 0.32 -0.54 0.41 0.00 0.00 173.24 173.50 3dos s LYS 231 N 0.79 0.92 -0.13 12.44 1.02 -0.31 -5.01 119.74 129.47 3dos s LYS 231 Ca -0.06 -0.69 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 3dos s LYS 231 Cb -0.07 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 3dos s LYS 231 CO -0.05 -0.32 0.41 -0.80 -0.92 0.00 0.00 175.35 173.67 3dos s ASN 232 N -2.55 6.61 0.00 2.83 -0.87 -1.26 -0.36 114.94 119.34 3dos s ASN 232 Ca 0.01 0.72 0.00 0.00 -1.57 0.00 0.00 52.86 52.02 3dos s ASN 232 Cb 0.02 -2.25 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 3dos s ASN 232 CO -0.09 0.05 0.23 0.52 -2.57 0.00 0.00 177.10 175.24