#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfy s ILE 4 N 0.00 3.20 -0.03 0.55 1.01 -0.58 -1.41 121.20 123.95 3dfy s ILE 4 Ca 0.00 0.73 0.10 0.00 0.00 0.00 0.00 60.65 61.48 3dfy s ILE 4 Cb 0.00 -3.47 -0.16 0.00 0.01 0.00 0.00 42.46 38.84 3dfy s ILE 4 CO 0.00 0.02 0.21 1.33 0.00 0.00 0.00 174.94 176.49 3dfy n VAL 5 N 4.44 0.09 -3.64 2.92 0.24 0.62 -0.56 118.33 122.44 3dfy n VAL 5 Ca 0.14 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 3dfy n VAL 5 Cb 0.41 0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 3dfy n VAL 5 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dfy s ASN 6 N -3.35 -0.40 -0.02 -1.34 2.47 -1.04 -4.93 114.94 106.32 3dfy s ASN 6 Ca -0.04 0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.58 3dfy s ASN 6 Cb 0.06 0.43 0.03 0.00 -1.45 0.00 0.00 41.25 40.31 3dfy s ASN 6 CO 0.44 -0.55 0.02 -0.69 -3.72 0.00 0.00 177.10 172.59 3dfy s VAL 7 N -1.46 0.03 -0.03 -5.21 1.01 -1.26 -0.94 120.40 112.54 3dfy s VAL 7 Ca -0.11 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3dfy s VAL 7 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.22 3dfy s VAL 7 CO 0.06 0.10 -0.10 -0.75 0.00 0.00 0.00 175.10 174.40 3dfy s LYS 8 N 0.95 1.07 -0.12 2.72 2.20 0.57 -4.86 119.74 122.27 3dfy s LYS 8 Ca -0.08 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.17 3dfy s LYS 8 Cb -0.12 -0.99 -0.02 0.00 -1.51 0.00 0.00 37.83 35.19 3dfy s LYS 8 CO -0.02 0.14 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.50 3dfy s LEU 9 N 0.14 2.92 -0.02 5.43 1.02 -1.26 -0.66 118.68 126.25 3dfy s LEU 9 Ca -0.03 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 53.91 3dfy s LEU 9 Cb -0.09 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.48 3dfy s LEU 9 CO 0.01 0.21 -0.03 -0.44 0.02 0.00 0.00 176.35 176.12 3dfy s SER 10 N 0.07 0.63 0.18 2.29 0.01 -0.14 -4.94 113.70 111.79 3dfy s SER 10 Ca -0.04 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 3dfy s SER 10 Cb -0.14 -0.22 -0.08 0.00 0.21 0.00 0.00 66.02 65.79 3dfy s SER 10 CO 0.04 -0.02 1.13 -0.22 0.41 0.00 0.00 173.24 174.58 3dfy s LEU 11 N 0.48 4.47 -0.05 2.44 2.96 -1.26 -0.22 118.68 127.50 3dfy s LEU 11 Ca -0.05 2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 3dfy s LEU 11 Cb -0.09 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.03 3dfy s LEU 11 CO -0.00 -0.27 0.09 -0.54 -1.32 0.00 0.00 176.35 174.30 3dfy s LYS 12 N -0.32 -0.02 0.00 1.98 1.02 0.09 -4.92 119.74 117.57 3dfy s LYS 12 Ca 0.50 0.39 -0.04 0.00 0.02 0.00 0.00 55.97 56.84 3dfy s LYS 12 Cb -0.30 -0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 3dfy s LYS 12 CO 0.35 -0.27 0.22 1.03 -0.92 0.00 0.00 175.35 175.76 3dfy s ARG 13 N 1.85 3.49 -0.02 1.68 0.52 -1.26 -1.10 118.95 124.11 3dfy s ARG 13 Ca -0.00 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 3dfy s ARG 13 Cb -0.12 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.28 3dfy s ARG 13 CO -0.04 0.66 -0.02 0.71 0.02 0.00 0.00 175.30 176.63 3dfy s TYR 14 N -1.33 0.37 0.06 -0.53 2.02 -0.68 -4.97 117.35 112.30 3dfy s TYR 14 Ca 0.28 -0.05 -0.20 0.00 -0.37 0.00 0.00 57.07 56.73 3dfy s TYR 14 Cb -0.13 -0.37 -0.06 0.00 -0.40 0.00 0.00 41.96 41.00 3dfy s TYR 14 CO 0.18 -0.09 0.59 -1.21 -1.57 0.00 0.00 175.55 173.45 3dfy s GLU 15 N 0.62 4.27 0.00 -0.62 0.41 -1.26 -0.89 118.70 121.22 3dfy s GLU 15 Ca -0.06 0.77 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 3dfy s GLU 15 Cb -0.10 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 3dfy s GLU 15 CO -0.01 0.55 0.00 0.66 -0.49 0.00 0.00 175.26 175.98 3dfy n TYR 16 N 2.00 -1.81 -0.01 1.61 4.02 -0.70 -0.30 117.16 121.98 3dfy n TYR 16 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.80 3dfy n TYR 16 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.82 3dfy n TYR 16 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3dfy n GLU 17 N -0.46 3.60 -3.80 -0.72 4.07 -1.17 -4.65 120.64 117.50 3dfy n GLU 17 Ca 0.00 -0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 3dfy n GLU 17 Cb 0.00 -1.03 -0.14 0.00 -0.06 0.00 0.00 31.44 30.22 3dfy n GLU 17 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3dfy s LYS 18 N -2.03 0.10 0.09 5.31 -0.14 -1.26 -5.13 119.74 116.68 3dfy s LYS 18 Ca -0.01 0.22 -0.33 0.00 -1.36 0.00 0.00 55.97 54.49 3dfy s LYS 18 Cb 0.00 -0.04 -0.12 0.00 -1.68 0.00 0.00 37.83 36.00 3dfy s LYS 18 CO 0.04 -0.07 1.78 -2.30 -0.76 0.00 0.00 175.35 174.04 3dfy n PRO 19 N 3.47 2.49 0.08 -1.68 -0.02 -1.26 -5.03 135.00 133.04 3dfy n PRO 19 Ca -0.18 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3dfy n PRO 19 Cb 0.56 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3dfy n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dfy n SER 28 N 5.29 -0.86 -3.88 2.55 3.41 -1.26 -5.13 113.62 113.74 3dfy n SER 28 Ca 0.19 0.28 -0.10 0.00 -0.26 0.00 0.00 58.87 58.97 3dfy n SER 28 Cb 0.33 1.00 -0.09 0.00 -0.26 0.00 0.00 64.21 65.19 3dfy n SER 28 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dfy s GLU 29 N -2.00 0.65 -0.18 4.33 2.12 -1.26 -1.72 118.70 120.63 3dfy s GLU 29 Ca 0.00 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.66 3dfy s GLU 29 Cb 0.00 0.26 0.04 0.00 0.26 0.00 0.00 34.13 34.70 3dfy s GLU 29 CO 0.00 -0.18 -0.08 0.45 -0.54 0.00 0.00 175.26 174.92 3dfy s SER 30 N -2.09 3.13 -0.47 -1.70 0.15 -0.07 -4.96 113.70 107.69 3dfy s SER 30 Ca -0.05 -0.79 -0.15 0.00 0.70 0.00 0.00 55.95 55.67 3dfy s SER 30 Cb -0.01 -1.07 0.08 0.00 -1.71 0.00 0.00 66.02 63.31 3dfy s SER 30 CO -0.04 -0.17 0.39 -0.13 1.20 0.00 0.00 173.24 174.49 3dfy s ARG 31 N 1.51 2.92 0.36 5.44 0.52 -1.26 -1.68 118.95 126.76 3dfy s ARG 31 Ca -0.00 -1.42 0.08 0.00 -0.52 0.00 0.00 55.73 53.87 3dfy s ARG 31 Cb -0.16 -4.10 -0.03 0.00 0.52 0.00 0.00 34.95 31.19 3dfy s ARG 31 CO -0.08 -1.06 0.30 -0.80 0.02 0.00 0.00 175.30 173.69 3dfy s ASN 32 N 2.66 5.18 -0.21 0.23 0.01 -0.26 -4.64 114.94 117.90 3dfy s ASN 32 Ca 0.04 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 3dfy s ASN 32 Cb -0.25 -0.84 0.03 0.00 0.41 0.00 0.00 41.25 40.59 3dfy s ASN 32 CO 0.05 -0.43 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.38 3dfy s VAL 33 N -2.36 2.37 0.02 1.60 1.01 0.09 -0.73 120.40 122.40 3dfy s VAL 33 Ca 0.43 -1.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 3dfy s VAL 33 Cb -0.05 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 3dfy s VAL 33 CO 0.27 0.35 0.54 -0.70 0.00 0.00 0.00 175.10 175.56 3dfy s GLU 34 N 1.28 4.21 -0.19 2.72 2.12 0.69 0.07 118.70 129.60 3dfy s GLU 34 Ca 0.02 0.65 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 3dfy s GLU 34 Cb -0.15 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3dfy s GLU 34 CO -0.09 0.51 -0.04 0.08 -0.54 0.00 0.00 175.26 175.19 3dfy s VAL 35 N -0.64 3.64 -0.11 3.70 1.01 0.18 -0.97 120.40 127.21 3dfy s VAL 35 Ca 0.28 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3dfy s VAL 35 Cb -0.18 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3dfy s VAL 35 CO 0.17 0.45 -0.23 -0.70 0.00 0.00 0.00 175.10 174.79 3dfy s GLU 36 N 0.90 3.05 -0.07 2.72 2.12 0.16 -0.40 118.70 127.18 3dfy s GLU 36 Ca -0.00 -0.87 0.05 0.00 0.36 0.00 0.00 54.97 54.51 3dfy s GLU 36 Cb -0.15 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.87 3dfy s GLU 36 CO 0.01 0.12 -0.21 0.42 -0.54 0.00 0.00 175.26 175.06 3dfy s ILE 37 N 0.50 2.44 -0.08 -3.70 1.01 0.30 -0.31 121.20 121.36 3dfy s ILE 37 Ca -0.15 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.62 3dfy s ILE 37 Cb -0.17 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 3dfy s ILE 37 CO 0.05 0.57 -0.22 -0.69 0.00 0.00 0.00 174.94 174.65 3dfy s VAL 38 N -0.22 1.90 0.27 2.92 1.01 -0.12 -0.53 120.40 125.63 3dfy s VAL 38 Ca -0.01 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.08 3dfy s VAL 38 Cb -0.13 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3dfy s VAL 38 CO 0.03 0.53 0.34 -0.76 0.00 0.00 0.00 175.10 175.23 3dfy s LEU 39 N 0.20 4.07 0.51 3.92 1.02 -0.18 -0.27 118.68 127.94 3dfy s LEU 39 Ca -0.13 -0.11 0.18 0.00 0.02 0.00 0.00 54.13 54.10 3dfy s LEU 39 Cb -0.16 -2.66 1.27 0.00 0.02 0.00 0.00 46.19 44.66 3dfy s LEU 39 CO 0.06 -0.16 2.09 1.05 0.02 0.00 0.00 176.35 179.41 3dfy h GLU 40 N 1.20 0.05 0.00 1.70 4.11 -1.56 0.25 114.58 120.34 3dfy h GLU 40 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3dfy h GLU 40 Cb 1.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3dfy h GLU 40 CO 0.59 0.04 0.00 0.66 0.07 0.00 0.00 179.01 180.37 3dfy h SER 41 N 0.06 0.00 0.00 3.06 4.64 -1.94 -3.46 113.55 115.91 3dfy h SER 41 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3dfy h SER 41 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3dfy h SER 41 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3dfy n GLY 42 N -0.41 0.74 3.77 -0.77 0.00 0.90 -5.06 105.19 104.35 3dfy n GLY 42 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dfy n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfy s VAL 43 N -2.17 2.93 -0.06 1.61 1.01 -1.26 -4.74 120.40 117.71 3dfy s VAL 43 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.75 3dfy s VAL 43 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3dfy s VAL 43 CO 0.00 0.03 -0.16 -0.54 0.00 0.00 0.00 175.10 174.43 3dfy s LYS 44 N -2.53 1.96 0.02 2.72 1.02 -1.26 -1.01 119.74 120.65 3dfy s LYS 44 Ca 0.61 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 56.08 3dfy s LYS 44 Cb -0.32 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 3dfy s LYS 44 CO 0.40 0.13 -0.08 0.20 -0.92 0.00 0.00 175.35 175.08 3dfy s GLY 45 N 0.38 1.75 -0.01 -3.33 0.00 0.31 -4.63 107.32 101.79 3dfy s GLY 45 Ca -0.11 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.60 3dfy s GLY 45 CO 0.04 -0.94 -0.17 -0.19 0.00 0.00 0.00 173.10 171.85 3dfy s TYR 46 N -1.02 1.50 0.16 1.90 2.02 -1.26 -0.54 117.35 120.11 3dfy s TYR 46 Ca 0.18 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3dfy s TYR 46 Cb -0.11 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 3dfy s TYR 46 CO 0.08 -0.03 0.01 0.20 -1.57 0.00 0.00 175.55 174.24 3dfy s GLY 47 N -0.36 1.13 -0.03 0.71 0.00 0.46 -4.05 107.32 105.17 3dfy s GLY 47 Ca 0.06 -1.54 -0.00 0.00 0.00 0.00 0.00 44.72 43.23 3dfy s GLY 47 CO -0.00 -1.48 0.02 1.85 0.00 0.00 0.00 173.10 173.48 3dfy s GLU 48 N -3.94 0.14 -0.27 2.90 2.12 -1.26 0.50 118.70 118.89 3dfy s GLU 48 Ca 0.23 0.17 -0.10 0.00 0.36 0.00 0.00 54.97 55.62 3dfy s GLU 48 Cb 0.06 -0.44 -0.05 0.00 0.26 0.00 0.00 34.13 33.97 3dfy s GLU 48 CO 0.03 -0.19 0.17 0.00 -0.54 0.00 0.00 175.26 174.72 3dfy s ALA 49 N 1.30 3.50 -0.64 6.30 0.00 0.11 -4.49 121.76 127.83 3dfy s ALA 49 Ca -0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3dfy s ALA 49 Cb -0.13 -2.39 0.16 0.00 0.00 0.00 0.00 23.12 20.76 3dfy s ALA 49 CO -0.03 -0.46 0.45 0.45 0.00 0.00 0.00 175.76 176.18 3dfy s SER 50 N 1.58 5.13 0.86 0.00 0.15 -1.26 -0.73 113.70 119.43 3dfy s SER 50 Ca 0.07 -3.05 -0.11 0.00 0.70 0.00 0.00 55.95 53.56 3dfy s SER 50 Cb -0.15 -1.81 0.11 0.00 -1.71 0.00 0.00 66.02 62.46 3dfy s SER 50 CO 0.09 -0.30 1.16 -2.16 1.20 0.00 0.00 173.24 173.23 3dfy s PRO 51 N -0.35 1.39 -0.10 5.44 0.04 -1.26 -4.53 135.00 135.64 3dfy s PRO 51 Ca 0.19 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 3dfy s PRO 51 Cb -0.19 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.63 3dfy s PRO 51 CO -0.04 -2.37 0.11 0.45 0.04 0.00 0.00 177.00 175.19 3dfy s SER 52 N -2.53 1.38 0.05 6.66 0.15 -1.26 -4.85 113.70 113.30 3dfy s SER 52 Ca 0.69 -0.06 -0.18 0.00 0.70 0.00 0.00 55.95 57.09 3dfy s SER 52 Cb -0.24 -0.01 -0.15 0.00 -1.71 0.00 0.00 66.02 63.91 3dfy s SER 52 CO 0.54 -0.28 1.31 0.15 1.20 0.00 0.00 173.24 176.16 3dfy h PHE 53 N 8.40 0.64 -0.61 3.44 3.57 -1.85 0.18 116.94 130.72 3dfy h PHE 53 Ca -0.14 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 3dfy h PHE 53 Cb 1.13 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3dfy h PHE 53 CO 0.35 0.96 0.21 -0.09 -2.23 0.00 0.00 178.31 177.50 3dfy h ARG 54 N 0.14 0.93 0.03 1.11 2.43 -1.94 -0.43 114.38 116.65 3dfy h ARG 54 Ca 0.01 -0.19 -0.29 0.00 -0.81 0.00 0.00 59.98 58.70 3dfy h ARG 54 Cb 0.92 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3dfy h ARG 54 CO 0.07 0.82 -1.58 0.28 -1.51 0.00 0.00 179.97 178.05 3dfy n VAL 55 N -4.41 1.59 0.77 0.20 0.31 -1.24 -4.63 118.33 110.92 3dfy n VAL 55 Ca 0.04 -0.22 0.09 0.00 -0.01 0.00 0.00 64.34 64.23 3dfy n VAL 55 Cb 0.20 -1.94 -0.11 0.00 -0.91 0.00 0.00 33.84 31.08 3dfy n VAL 55 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dfy n ASN 56 N -4.17 0.84 -0.00 4.52 3.02 -0.04 -4.98 115.26 114.46 3dfy n ASN 56 Ca -0.34 -0.84 -0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3dfy n ASN 56 Cb 0.79 1.08 -0.00 0.00 -0.61 0.00 0.00 39.78 41.04 3dfy n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dfy n GLY 57 N 1.42 0.48 3.88 7.41 0.00 -0.17 -4.96 105.19 113.25 3dfy n GLY 57 Ca 0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3dfy n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfy s GLU 58 N -0.10 3.72 -0.03 1.61 2.02 -1.02 -4.85 118.70 120.05 3dfy s GLU 58 Ca 0.00 0.51 0.01 0.00 0.02 0.00 0.00 54.97 55.52 3dfy s GLU 58 Cb 0.00 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.94 3dfy s GLU 58 CO 0.00 -0.19 -0.04 1.03 0.02 0.00 0.00 175.26 176.08 3dfy s ARG 59 N -4.29 0.64 0.39 1.61 0.52 -1.26 -2.81 118.95 113.76 3dfy s ARG 59 Ca 0.52 -0.10 0.14 0.00 -0.52 0.00 0.00 55.73 55.76 3dfy s ARG 59 Cb -0.10 -0.67 0.97 0.00 0.52 0.00 0.00 34.95 35.67 3dfy s ARG 59 CO 0.38 -0.03 1.86 -0.24 0.02 0.00 0.00 175.30 177.29 3dfy h VAL 60 N 5.86 0.74 -0.38 3.52 3.04 -1.94 0.66 116.25 127.75 3dfy h VAL 60 Ca -0.37 -0.18 -0.05 0.00 -1.01 0.00 0.00 66.70 65.10 3dfy h VAL 60 Cb 1.16 0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 3dfy h VAL 60 CO 0.48 0.10 0.04 -0.33 -1.01 0.00 0.00 177.57 176.85 3dfy h GLU 61 N 0.52 0.57 -0.39 4.17 3.07 -1.97 -2.20 114.58 118.36 3dfy h GLU 61 Ca 0.46 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 59.10 3dfy h GLU 61 Cb 0.97 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 3dfy h GLU 61 CO -0.20 0.57 -0.17 0.00 -1.40 0.00 0.00 179.01 177.81 3dfy h ALA 62 N 1.50 0.54 0.00 3.43 0.00 -1.30 -2.39 119.26 121.04 3dfy h ALA 62 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dfy h ALA 62 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dfy h ALA 62 CO 0.01 0.48 -0.00 -0.07 0.00 0.00 0.00 179.25 179.66 3dfy h LEU 63 N 0.61 -0.00 -1.37 0.00 4.07 -1.13 -2.75 115.31 114.73 3dfy h LEU 63 Ca 0.09 -0.06 0.12 0.00 0.08 0.00 0.00 57.88 58.11 3dfy h LEU 63 Cb 0.72 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.40 3dfy h LEU 63 CO 0.05 0.06 0.53 -0.07 -1.08 0.00 0.00 178.44 177.94 3dfy h LEU 64 N -0.07 0.61 -1.71 1.67 3.38 -1.37 -2.35 115.31 115.46 3dfy h LEU 64 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3dfy h LEU 64 Cb 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3dfy h LEU 64 CO 0.00 0.34 -0.10 0.00 0.09 0.00 0.00 178.44 178.77 3dfy h ALA 65 N 1.61 1.10 -0.74 1.53 0.00 -1.12 -3.13 119.26 118.52 3dfy h ALA 65 Ca 0.39 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 3dfy h ALA 65 Cb 0.61 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 65 CO -0.16 0.13 0.26 0.44 0.00 0.00 0.00 179.25 179.92 3dfy n ILE 66 N -3.36 2.95 -0.11 0.00 -5.35 -0.88 -4.62 119.36 107.99 3dfy n ILE 66 Ca -0.01 -1.62 -0.05 0.00 -0.27 0.00 0.00 62.75 60.80 3dfy n ILE 66 Cb 0.29 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 37.86 3dfy n ILE 66 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3dfy h GLU 67 N 2.80 0.19 -0.93 6.28 4.81 -1.68 -1.91 114.58 124.16 3dfy h GLU 67 Ca 0.25 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3dfy h GLU 67 Cb 2.34 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 31.63 3dfy h GLU 67 CO 0.74 0.13 0.56 -0.91 -0.73 0.00 0.00 179.01 178.80 3dfy h ASN 68 N 0.20 1.11 -0.36 1.04 2.35 -1.89 -0.95 115.58 117.08 3dfy h ASN 68 Ca 0.18 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3dfy h ASN 68 Cb 0.21 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3dfy h ASN 68 CO -0.24 0.85 0.23 0.00 -1.65 0.00 0.00 177.43 176.62 3dfy h ALA 69 N 1.34 0.46 -0.43 -0.83 0.00 -1.73 -0.55 119.26 117.52 3dfy h ALA 69 Ca 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3dfy h ALA 69 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dfy h ALA 69 CO -0.06 -0.07 0.20 0.28 0.00 0.00 0.00 179.25 179.61 3dfy h VAL 70 N 0.48 1.18 -0.39 0.00 2.07 -0.99 -0.58 116.25 118.03 3dfy h VAL 70 Ca 0.13 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.20 3dfy h VAL 70 Cb -0.03 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 3dfy h VAL 70 CO -0.03 0.20 0.03 -0.09 0.02 0.00 0.00 177.57 177.70 3dfy h ARG 71 N 0.56 0.14 -0.60 1.57 2.43 -0.88 -2.07 114.38 115.52 3dfy h ARG 71 Ca 0.15 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3dfy h ARG 71 Cb 0.13 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3dfy h ARG 71 CO -0.02 0.09 0.22 1.49 -1.51 0.00 0.00 179.97 180.25 3dfy h GLU 72 N 0.14 0.88 -0.62 0.20 4.22 -0.74 -0.93 114.58 117.73 3dfy h GLU 72 Ca 0.19 -0.14 -0.07 0.00 0.08 0.00 0.00 59.36 59.42 3dfy h GLU 72 Cb 0.25 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3dfy h GLU 72 CO -0.29 0.73 0.11 0.52 -2.18 0.00 0.00 179.01 177.90 3dfy h MET 73 N 0.86 0.99 0.00 1.92 2.86 -0.40 -3.37 114.93 117.80 3dfy h MET 73 Ca 0.20 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3dfy h MET 73 Cb 0.19 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3dfy h MET 73 CO -0.02 0.91 -0.75 0.44 1.06 0.00 0.00 176.91 178.55 3dfy n ILE 74 N -4.23 0.00 -1.71 -1.22 -5.35 -1.05 -5.00 119.36 100.80 3dfy n ILE 74 Ca 0.04 -0.25 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 3dfy n ILE 74 Cb 0.27 0.69 -0.02 0.00 -1.74 0.00 0.00 39.64 38.84 3dfy n ILE 74 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3dfy n THR 75 N -1.41 1.10 0.00 7.28 -1.04 -0.36 -2.09 114.28 117.76 3dfy n THR 75 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3dfy n THR 75 Cb 0.12 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 66.89 3dfy n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dfy n GLY 76 N 2.00 1.12 3.79 3.41 0.00 0.28 -4.98 105.19 110.82 3dfy n GLY 76 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3dfy n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 77 N -2.31 4.95 0.12 -0.61 1.01 -0.89 -4.68 121.20 118.79 3dfy s ILE 77 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 3dfy s ILE 77 Cb 0.00 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 3dfy s ILE 77 CO 0.00 0.49 1.09 -0.62 0.00 0.00 0.00 174.94 175.91 3dfy s ASP 78 N -0.60 7.26 0.36 3.58 -1.08 -1.26 -1.52 116.67 123.41 3dfy s ASP 78 Ca 0.27 1.99 0.26 0.00 -0.52 0.00 0.00 52.55 54.55 3dfy s ASP 78 Cb -0.18 -2.59 1.26 0.00 -1.46 0.00 0.00 42.92 39.95 3dfy s ASP 78 CO 0.15 -0.26 1.80 -0.37 0.52 0.00 0.00 175.17 177.01 3dfy h VAL 79 N 4.05 0.00 0.00 1.11 -1.51 -1.94 -0.65 116.25 117.32 3dfy h VAL 79 Ca -0.43 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3dfy h VAL 79 Cb 1.21 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3dfy h VAL 79 CO 0.75 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.98 3dfy n ARG 80 N -2.44 0.13 -1.81 5.19 1.85 -1.26 -1.64 116.66 116.69 3dfy n ARG 80 Ca -0.00 0.31 -0.33 0.00 -1.00 0.00 0.00 57.85 56.83 3dfy n ARG 80 Cb 0.14 -1.72 0.04 0.00 -1.05 0.00 0.00 32.46 29.88 3dfy n ARG 80 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dfy n ASN 81 N -1.96 6.61 0.08 2.89 3.02 -0.25 -4.79 115.26 120.86 3dfy n ASN 81 Ca 0.03 -3.78 0.19 0.00 -0.03 0.00 0.00 54.58 50.99 3dfy n ASN 81 Cb 0.24 -0.78 0.73 0.00 -0.61 0.00 0.00 39.78 39.36 3dfy n ASN 81 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3dfy h TYR 82 N 2.38 0.00 0.00 3.10 -0.00 -1.45 0.43 116.97 121.44 3dfy h TYR 82 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.21 3dfy h TYR 82 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.51 3dfy h TYR 82 CO 1.15 0.00 -0.08 0.00 -0.00 0.00 0.00 178.16 179.23 3dfy h ALA 83 N 1.72 1.62 -0.14 0.10 0.00 -1.88 0.17 119.26 120.85 3dfy h ALA 83 Ca 0.19 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 3dfy h ALA 83 Cb 0.84 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3dfy h ALA 83 CO -0.00 0.11 -0.75 0.00 0.00 0.00 0.00 179.25 178.60 3dfy h ARG 84 N 0.00 0.75 -0.67 0.00 3.08 -1.30 -1.97 114.38 114.28 3dfy h ARG 84 Ca -0.00 -0.63 -0.08 0.00 0.07 0.00 0.00 59.98 59.34 3dfy h ARG 84 Cb 0.18 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3dfy h ARG 84 CO 0.01 1.23 0.11 0.82 -1.07 0.00 0.00 179.97 181.08 3dfy h ILE 85 N 0.47 1.26 -0.60 2.04 2.04 -1.26 -1.83 117.51 119.63 3dfy h ILE 85 Ca -0.06 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 3dfy h ILE 85 Cb 1.39 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3dfy h ILE 85 CO 0.16 0.39 0.34 -0.26 0.00 0.00 0.00 178.15 178.77 3dfy h PHE 86 N 1.04 0.82 -0.38 1.37 -1.00 -0.65 0.08 116.94 118.22 3dfy h PHE 86 Ca 0.21 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.90 3dfy h PHE 86 Cb 0.44 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 3dfy h PHE 86 CO 0.03 0.58 -0.02 1.49 -1.61 0.00 0.00 178.31 178.78 3dfy h GLU 87 N 0.82 0.68 -0.43 1.51 4.81 -1.14 -1.66 114.58 119.16 3dfy h GLU 87 Ca 0.21 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3dfy h GLU 87 Cb 0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3dfy h GLU 87 CO -0.04 0.80 0.16 0.82 -0.73 0.00 0.00 179.01 180.02 3dfy h ILE 88 N 0.50 1.21 0.00 2.32 2.04 -1.16 -2.77 117.51 119.65 3dfy h ILE 88 Ca 0.10 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3dfy h ILE 88 Cb 0.50 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3dfy h ILE 88 CO 0.02 0.24 0.00 0.71 0.00 0.00 0.00 178.15 179.12 3dfy h THR 89 N 0.56 0.00 0.00 -0.27 1.35 -0.88 -2.17 112.91 111.50 3dfy h THR 89 Ca 0.14 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3dfy h THR 89 Cb 0.22 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3dfy h THR 89 CO -0.01 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.70 3dfy h ASP 90 N 0.00 0.00 0.64 5.36 3.32 -0.99 -0.86 116.42 123.89 3dfy h ASP 90 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dfy h ASP 90 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3dfy h ASP 90 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3dfy n ARG 91 N -2.75 0.07 -1.00 3.56 1.74 -0.82 -2.92 116.66 114.54 3dfy n ARG 91 Ca -0.00 0.28 -0.19 0.00 -0.77 0.00 0.00 57.85 57.17 3dfy n ARG 91 Cb 0.20 -1.62 0.02 0.00 -1.02 0.00 0.00 32.46 30.04 3dfy n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dfy n LEU 92 N -1.75 6.51 0.17 0.55 4.77 -0.33 -4.53 117.00 122.39 3dfy n LEU 92 Ca 0.03 -3.45 0.13 0.00 -0.03 0.00 0.00 56.01 52.69 3dfy n LEU 92 Cb 0.21 -1.08 0.60 0.00 -2.33 0.00 0.00 43.42 40.82 3dfy n LEU 92 CO 0.17 1.31 0.88 2.19 -1.33 0.00 0.00 177.39 180.61 3dfy h PHE 93 N 1.73 0.00 0.00 -1.77 -5.15 -1.76 0.16 116.94 110.15 3dfy h PHE 93 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 3dfy h PHE 93 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.05 3dfy h PHE 93 CO 0.93 0.00 -0.41 0.41 -2.00 0.00 0.00 178.31 177.25 3dfy n GLY 94 N -0.68 -1.45 2.54 6.09 0.00 -1.26 -4.06 105.19 106.37 3dfy n GLY 94 Ca -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 3dfy n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dfy n PHE 95 N -1.96 1.98 -0.22 1.61 3.72 0.03 -4.74 117.46 117.88 3dfy n PHE 95 Ca 0.05 -3.77 0.18 0.00 -0.05 0.00 0.00 57.45 53.86 3dfy n PHE 95 Cb 0.41 -0.42 0.51 0.00 -0.94 0.00 0.00 39.48 39.04 3dfy n PHE 95 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dfy h PRO 96 N 2.97 0.39 -0.36 -1.08 0.13 -1.68 -0.37 132.00 132.00 3dfy h PRO 96 Ca 0.11 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 3dfy h PRO 96 Cb 0.80 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 3dfy h PRO 96 CO 0.65 0.26 -0.10 0.66 -0.23 0.00 0.00 178.00 179.23 3dfy h SER 97 N 0.40 0.61 0.56 1.44 4.64 -1.81 -0.96 113.55 118.42 3dfy h SER 97 Ca 0.45 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.38 3dfy h SER 97 Cb 1.11 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3dfy h SER 97 CO -0.16 0.75 -0.97 0.25 -0.87 0.00 0.00 176.83 175.83 3dfy h LEU 98 N 0.57 0.34 -0.54 5.97 5.85 -1.47 -2.25 115.31 123.79 3dfy h LEU 98 Ca 0.10 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3dfy h LEU 98 Cb 0.52 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3dfy h LEU 98 CO 0.03 1.13 0.34 0.50 -0.34 0.00 0.00 178.44 180.10 3dfy h LYS 99 N 0.13 0.67 0.06 1.25 3.64 -0.67 -0.82 116.57 120.82 3dfy h LYS 99 Ca -0.07 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3dfy h LYS 99 Cb 1.63 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3dfy h LYS 99 CO 0.15 0.44 -0.03 0.00 -2.27 0.00 0.00 179.45 177.75 3dfy h ALA 100 N 1.21 -0.08 -0.68 5.00 0.00 -1.14 -1.54 119.26 122.04 3dfy h ALA 100 Ca 0.21 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3dfy h ALA 100 Cb -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3dfy h ALA 100 CO -0.07 -0.49 0.40 0.00 0.00 0.00 0.00 179.25 179.09 3dfy h ALA 101 N 0.74 0.90 -0.35 0.00 0.00 -1.08 0.36 119.26 119.83 3dfy h ALA 101 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3dfy h ALA 101 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dfy h ALA 101 CO 0.01 0.11 -0.11 0.28 0.00 0.00 0.00 179.25 179.54 3dfy h VAL 102 N 0.75 1.28 -0.46 0.00 2.07 -1.09 0.08 116.25 118.89 3dfy h VAL 102 Ca 0.29 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3dfy h VAL 102 Cb 0.12 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3dfy h VAL 102 CO -0.15 0.39 0.16 1.56 0.02 0.00 0.00 177.57 179.54 3dfy h GLN 103 N 0.48 0.70 -0.31 1.57 4.20 -0.91 -1.29 115.11 119.55 3dfy h GLN 103 Ca 0.09 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 3dfy h GLN 103 Cb 0.63 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3dfy h GLN 103 CO 0.04 0.66 -0.37 0.35 -0.67 0.00 0.00 178.83 178.85 3dfy h PHE 104 N 0.60 0.96 -0.98 2.96 3.57 -0.92 -2.64 116.94 120.49 3dfy h PHE 104 Ca 0.15 -0.30 0.16 0.00 3.53 0.00 0.00 57.97 61.50 3dfy h PHE 104 Cb 0.24 -0.20 -0.10 0.00 2.79 0.00 0.00 35.95 38.69 3dfy h PHE 104 CO 0.01 1.09 0.59 0.00 -2.23 0.00 0.00 178.31 177.77 3dfy h ALA 105 N 0.71 1.55 -0.79 2.41 0.00 -0.79 0.22 119.26 122.57 3dfy h ALA 105 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dfy h ALA 105 Cb 0.96 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3dfy h ALA 105 CO 0.09 0.05 0.42 1.15 0.00 0.00 0.00 179.25 180.95 3dfy h THR 106 N 0.83 1.24 -0.01 0.00 2.02 -1.00 -1.18 112.91 114.81 3dfy h THR 106 Ca 0.53 -0.63 -0.18 0.00 0.77 0.00 0.00 66.41 66.90 3dfy h THR 106 Cb 0.71 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3dfy h THR 106 CO -0.34 0.27 -0.80 -0.07 0.37 0.00 0.00 175.52 174.96 3dfy h LEU 107 N 1.10 0.24 -0.29 2.58 3.38 -0.69 -0.72 115.31 120.92 3dfy h LEU 107 Ca 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dfy h LEU 107 Cb 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dfy h LEU 107 CO -0.04 0.94 0.15 -0.78 0.09 0.00 0.00 178.44 178.81 3dfy h ASP 108 N 0.12 0.36 -0.34 -0.43 3.58 -0.29 0.21 116.42 119.62 3dfy h ASP 108 Ca -0.03 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 3dfy h ASP 108 Cb 1.40 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 3dfy h ASP 108 CO 0.12 0.35 -0.05 0.00 -2.88 0.00 0.00 179.24 176.78 3dfy h ALA 109 N 1.03 0.46 -0.47 -0.78 0.00 -1.15 -2.89 119.26 115.46 3dfy h ALA 109 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3dfy h ALA 109 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dfy h ALA 109 CO -0.02 0.28 0.19 1.25 0.00 0.00 0.00 179.25 180.95 3dfy h LEU 110 N 0.43 0.65 -1.45 0.00 5.85 -0.90 -2.57 115.31 117.31 3dfy h LEU 110 Ca 0.09 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3dfy h LEU 110 Cb 0.54 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3dfy h LEU 110 CO 0.03 0.64 0.35 0.77 -0.34 0.00 0.00 178.44 179.88 3dfy h SER 111 N 0.62 0.62 -0.43 1.25 4.64 -0.58 -0.93 113.55 118.75 3dfy h SER 111 Ca 0.16 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 3dfy h SER 111 Cb 0.19 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3dfy h SER 111 CO -0.01 0.46 -0.07 1.56 -0.87 0.00 0.00 176.83 177.90 3dfy h GLN 112 N 0.73 0.81 0.00 4.77 4.20 -1.27 0.17 115.11 124.52 3dfy h GLN 112 Ca 0.20 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3dfy h GLN 112 Cb -0.07 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3dfy h GLN 112 CO -0.04 0.91 -0.10 0.93 -0.67 0.00 0.00 178.83 179.86 3dfy h GLU 113 N 0.64 0.00 -0.01 1.46 5.08 -1.01 -2.20 114.58 118.53 3dfy h GLU 113 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3dfy h GLU 113 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3dfy h GLU 113 CO 0.04 0.10 -0.35 1.28 -1.00 0.00 0.00 179.01 179.09 3dfy n LEU 114 N -3.26 1.01 -0.20 1.33 4.77 -0.41 -4.95 117.00 115.29 3dfy n LEU 114 Ca 0.00 -0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 55.70 3dfy n LEU 114 Cb 0.36 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3dfy n LEU 114 CO 0.30 0.20 -0.02 0.61 -1.33 0.00 0.00 177.39 177.14 3dfy n GLY 115 N 1.38 0.37 0.00 -0.72 0.00 -0.48 -5.03 105.19 100.72 3dfy n GLY 115 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3dfy n GLY 115 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dfy n THR 116 N -3.63 0.00 -4.41 2.61 5.66 0.49 -5.02 114.28 109.98 3dfy n THR 116 Ca -0.02 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.76 3dfy n THR 116 Cb 0.36 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.04 3dfy n THR 116 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3dfy s GLN 117 N 1.08 1.50 0.21 1.09 -0.21 -1.26 -4.11 119.66 117.97 3dfy s GLN 117 Ca 0.00 -1.65 -0.09 0.00 0.02 0.00 0.00 55.36 53.65 3dfy s GLN 117 Cb 0.00 -1.51 0.26 0.00 1.00 0.00 0.00 33.01 32.76 3dfy s GLN 117 CO 0.00 0.28 1.80 0.28 -2.12 0.00 0.00 175.29 175.53 3dfy h VAL 118 N 2.56 0.93 -0.79 1.09 2.07 -1.92 -2.52 116.25 117.67 3dfy h VAL 118 Ca -0.40 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.00 3dfy h VAL 118 Cb 1.24 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 3dfy h VAL 118 CO 0.59 0.12 0.43 0.00 0.02 0.00 0.00 177.57 178.72 3dfy h TYR 120 N 0.70 0.81 -0.36 0.00 0.05 -1.80 -0.78 116.97 115.59 3dfy h TYR 120 Ca 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 3dfy h TYR 120 Cb 0.42 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3dfy h TYR 120 CO -0.08 0.91 0.16 1.25 -1.05 0.00 0.00 178.16 179.35 3dfy h LEU 121 N 0.61 0.44 -0.60 3.88 5.85 -0.89 -1.55 115.31 123.05 3dfy h LEU 121 Ca 0.08 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3dfy h LEU 121 Cb 0.78 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3dfy h LEU 121 CO 0.06 0.39 0.00 0.18 -0.34 0.00 0.00 178.44 178.73 3dfy n LEU 122 N -4.41 0.93 0.00 2.25 4.77 -0.33 -4.90 117.00 115.31 3dfy n LEU 122 Ca 0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3dfy n LEU 122 Cb 0.12 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3dfy n LEU 122 CO 0.36 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3dfy n GLY 123 N 1.10 1.24 3.40 -0.72 0.00 -0.58 -3.80 105.19 105.82 3dfy n GLY 123 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3dfy n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfy n GLY 124 N 0.00 -0.50 0.17 -0.02 0.00 -0.36 -4.87 105.19 99.62 3dfy n GLY 124 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3dfy n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dfy h LYS 125 N -1.34 0.52 -5.85 1.61 1.63 -1.08 -3.45 116.57 108.60 3dfy h LYS 125 Ca -0.49 -0.09 -0.51 0.00 -0.85 0.00 0.00 60.65 58.71 3dfy h LYS 125 Cb 1.33 -0.08 -0.16 0.00 -0.60 0.00 0.00 32.23 32.71 3dfy h LYS 125 CO 0.57 0.51 -0.77 1.03 -3.45 0.00 0.00 179.45 177.35 3dfy s ARG 126 N -5.55 1.33 -0.01 1.90 0.52 -0.27 -4.97 118.95 111.89 3dfy s ARG 126 Ca -0.13 -1.49 0.15 0.00 -0.52 0.00 0.00 55.73 53.74 3dfy s ARG 126 Cb 0.09 -1.31 -0.20 0.00 0.52 0.00 0.00 34.95 34.05 3dfy s ARG 126 CO 0.74 0.25 0.51 -0.25 0.02 0.00 0.00 175.30 176.57 3dfy n ASP 127 N 0.02 1.04 -3.71 0.23 8.00 -1.26 -4.60 116.55 116.27 3dfy n ASP 127 Ca -0.11 -0.46 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 3dfy n ASP 127 Cb 0.58 1.33 -0.09 0.00 -0.02 0.00 0.00 41.12 42.93 3dfy n ASP 127 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dfy s GLU 128 N -2.74 0.64 0.13 -1.24 2.12 -1.26 -3.97 118.70 112.39 3dfy s GLU 128 Ca 0.00 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.57 3dfy s GLU 128 Cb 0.11 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 3dfy s GLU 128 CO 0.64 -0.15 -0.02 0.96 -0.54 0.00 0.00 175.26 176.15 3dfy s ILE 129 N -0.61 0.60 -0.07 -3.70 -4.36 -0.62 -4.97 121.20 107.47 3dfy s ILE 129 Ca -0.07 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 3dfy s ILE 129 Cb -0.04 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.76 3dfy s ILE 129 CO 0.03 -0.65 -0.17 -0.70 0.24 0.00 0.00 174.94 173.69 3dfy s GLU 130 N -3.90 2.19 0.26 0.37 2.12 -1.26 -1.04 118.70 117.44 3dfy s GLU 130 Ca 0.19 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.95 3dfy s GLU 130 Cb 0.06 -1.75 -0.03 0.00 0.26 0.00 0.00 34.13 32.67 3dfy s GLU 130 CO -0.00 0.13 0.32 -0.08 -0.54 0.00 0.00 175.26 175.09 3dfy s THR 131 N 0.42 4.87 0.53 -1.70 -1.32 -0.21 -3.86 115.64 114.37 3dfy s THR 131 Ca -0.14 -1.12 0.01 0.00 -1.21 0.00 0.00 61.69 59.24 3dfy s THR 131 Cb -0.16 -3.67 0.10 0.00 -1.51 0.00 0.00 72.50 67.27 3dfy s THR 131 CO 0.05 -0.31 0.73 -0.90 -2.21 0.00 0.00 174.62 171.98 3dfy n ASP 132 N -1.37 1.11 -4.12 8.08 5.68 -0.35 -4.73 116.55 120.85 3dfy n ASP 132 Ca -0.08 -1.90 -0.18 0.00 -0.50 0.00 0.00 54.79 52.13 3dfy n ASP 132 Cb 0.57 -0.46 -0.13 0.00 -1.14 0.00 0.00 41.12 39.96 3dfy n ASP 132 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3dfy s LYS 133 N -4.37 0.79 -0.14 0.11 -0.14 -1.05 -4.51 119.74 110.42 3dfy s LYS 133 Ca 0.49 -0.74 -0.08 0.00 -1.36 0.00 0.00 55.97 54.28 3dfy s LYS 133 Cb -0.03 -0.75 -0.04 0.00 -1.68 0.00 0.00 37.83 35.33 3dfy s LYS 133 CO 0.33 0.18 0.15 0.99 -0.76 0.00 0.00 175.35 176.23 3dfy s THR 134 N -0.96 5.47 -0.43 2.17 2.01 -1.26 -0.68 115.64 121.95 3dfy s THR 134 Ca -0.01 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 3dfy s THR 134 Cb -0.08 -3.43 0.10 0.00 0.01 0.00 0.00 72.50 69.10 3dfy s THR 134 CO 0.01 0.57 0.27 -0.69 -0.69 0.00 0.00 174.62 174.09 3dfy s VAL 135 N -0.67 3.87 1.08 3.82 1.01 0.45 -4.95 120.40 125.00 3dfy s VAL 135 Ca 0.14 -1.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.21 3dfy s VAL 135 Cb -0.12 -3.52 0.23 0.00 0.00 0.00 0.00 36.38 32.97 3dfy s VAL 135 CO 0.03 -0.66 1.08 -0.83 0.00 0.00 0.00 175.10 174.72 3dfy s GLY 136 N 2.22 1.56 0.22 4.51 0.00 -1.26 -2.10 107.32 112.47 3dfy s GLY 136 Ca 0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 3dfy s GLY 136 CO -0.01 0.21 1.19 -0.42 0.00 0.00 0.00 173.10 174.07 3dfy s ILE 137 N -2.90 3.43 0.00 0.90 1.01 -1.26 -4.76 121.20 117.61 3dfy s ILE 137 Ca 0.67 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.59 3dfy s ILE 137 Cb -0.17 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3dfy s ILE 137 CO 0.58 0.24 0.00 -0.67 0.00 0.00 0.00 174.94 175.09 3dfy n ASP 138 N 2.02 0.00 -4.82 3.58 -0.08 -1.26 -5.05 116.55 110.93 3dfy n ASP 138 Ca 0.03 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.96 3dfy n ASP 138 Cb 0.44 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.84 3dfy n ASP 138 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3dfy s THR 139 N -1.39 4.50 0.24 5.18 2.01 -1.26 -4.83 115.64 120.09 3dfy s THR 139 Ca 0.00 1.33 -0.06 0.00 0.31 0.00 0.00 61.69 63.27 3dfy s THR 139 Cb 0.00 -3.75 0.24 0.00 0.01 0.00 0.00 72.50 69.00 3dfy s THR 139 CO 0.00 -0.04 1.67 0.58 -0.69 0.00 0.00 174.62 176.14 3dfy h VAL 140 N 2.30 0.47 -0.04 3.82 2.07 -1.98 0.86 116.25 123.74 3dfy h VAL 140 Ca -0.48 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3dfy h VAL 140 Cb 1.18 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3dfy h VAL 140 CO 0.64 0.04 -0.01 -0.33 0.02 0.00 0.00 177.57 177.93 3dfy h GLU 141 N 0.21 -0.00 -0.78 1.57 5.08 -1.99 -0.29 114.58 118.38 3dfy h GLU 141 Ca 0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.72 3dfy h GLU 141 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 3dfy h GLU 141 CO -0.55 -0.00 0.30 -0.91 -1.00 0.00 0.00 179.01 176.85 3dfy h ASN 142 N -0.00 1.08 -0.16 1.42 2.35 -1.39 -0.06 115.58 118.83 3dfy h ASN 142 Ca 0.02 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3dfy h ASN 142 Cb 0.03 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3dfy h ASN 142 CO -0.04 0.97 0.04 0.03 -1.65 0.00 0.00 177.43 176.78 3dfy h ARG 143 N 1.14 0.11 -0.28 0.81 3.08 0.10 -0.21 114.38 119.13 3dfy h ARG 143 Ca 0.26 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 3dfy h ARG 143 Cb 0.23 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3dfy h ARG 143 CO -0.02 0.07 -0.05 0.28 -1.07 0.00 0.00 179.97 179.19 3dfy h VAL 144 N 0.11 1.19 -0.15 2.04 2.07 -0.75 -0.99 116.25 119.77 3dfy h VAL 144 Ca 0.07 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3dfy h VAL 144 Cb 0.05 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3dfy h VAL 144 CO -0.08 0.26 0.06 0.50 0.02 0.00 0.00 177.57 178.33 3dfy h LYS 145 N 0.42 0.23 0.04 1.57 1.63 -0.21 -0.98 116.57 119.27 3dfy h LYS 145 Ca 0.09 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3dfy h LYS 145 Cb 0.35 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 3dfy h LYS 145 CO 0.01 0.33 -0.12 0.93 -3.45 0.00 0.00 179.45 177.16 3dfy h GLU 146 N 0.09 -0.21 -0.30 1.90 5.08 -0.64 -1.90 114.58 118.60 3dfy h GLU 146 Ca 0.05 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3dfy h GLU 146 Cb 0.19 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 3dfy h GLU 146 CO -0.00 -0.14 -0.31 0.00 -1.00 0.00 0.00 179.01 177.55 3dfy h ALA 147 N 0.71 -0.23 -0.60 3.43 0.00 -1.04 0.13 119.26 121.66 3dfy h ALA 147 Ca 0.03 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3dfy h ALA 147 Cb 0.25 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3dfy h ALA 147 CO -0.08 -0.74 0.30 0.87 0.00 0.00 0.00 179.25 179.59 3dfy h LYS 148 N -0.29 0.53 -0.19 0.00 1.57 -0.98 0.14 116.57 117.34 3dfy h LYS 148 Ca 0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3dfy h LYS 148 Cb 0.53 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3dfy h LYS 148 CO -0.46 0.35 0.11 -0.22 -0.57 0.00 0.00 179.45 178.66 3dfy h LYS 149 N 0.55 0.27 -0.17 3.15 3.64 -0.48 0.59 116.57 124.11 3dfy h LYS 149 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3dfy h LYS 149 Cb 0.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3dfy h LYS 149 CO -0.21 0.25 0.11 0.82 -2.27 0.00 0.00 179.45 178.16 3dfy h ILE 150 N 0.21 1.04 -0.80 2.00 2.04 -0.24 -0.24 117.51 121.52 3dfy h ILE 150 Ca 0.07 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3dfy h ILE 150 Cb 0.06 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3dfy h ILE 150 CO -0.01 0.04 0.53 0.15 0.00 0.00 0.00 178.15 178.86 3dfy h PHE 151 N 0.23 0.99 -0.42 1.37 3.57 -0.63 -1.44 116.94 120.61 3dfy h PHE 151 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3dfy h PHE 151 Cb -0.02 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 3dfy h PHE 151 CO -0.07 0.61 0.21 1.49 -2.23 0.00 0.00 178.31 178.32 3dfy h GLU 152 N 1.06 0.58 0.00 1.11 4.81 -0.34 -1.29 114.58 120.51 3dfy h GLU 152 Ca 0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3dfy h GLU 152 Cb -0.09 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.17 3dfy h GLU 152 CO -0.08 0.45 0.00 0.39 -0.73 0.00 0.00 179.01 179.04 3dfy n GLU 153 N -4.41 0.28 0.00 1.92 1.02 -0.15 -4.87 120.64 114.44 3dfy n GLU 153 Ca 0.03 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3dfy n GLU 153 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3dfy n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dfy n GLY 154 N 0.43 0.57 3.71 0.62 0.00 -0.49 -4.80 105.19 105.24 3dfy n GLY 154 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3dfy n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfy s PHE 155 N -2.00 3.19 -0.95 1.61 0.08 -1.13 -4.81 117.98 113.97 3dfy s PHE 155 Ca 0.00 0.97 0.10 0.00 0.12 0.00 0.00 56.93 58.12 3dfy s PHE 155 Cb 0.00 -3.64 0.25 0.00 -0.57 0.00 0.00 43.02 39.06 3dfy s PHE 155 CO 0.00 -2.24 1.16 0.54 -0.10 0.00 0.00 175.22 174.58 3dfy n ARG 156 N 4.26 2.41 -3.89 0.44 5.12 -1.26 -4.41 116.66 119.33 3dfy n ARG 156 Ca 0.11 -1.84 -0.24 0.00 -1.93 0.00 0.00 57.85 53.95 3dfy n ARG 156 Cb 0.43 -1.24 -0.17 0.00 -1.16 0.00 0.00 32.46 30.32 3dfy n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dfy s VAL 157 N -0.97 0.67 -0.14 1.55 1.01 -1.26 -0.55 120.40 120.71 3dfy s VAL 157 Ca 0.20 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3dfy s VAL 157 Cb 0.11 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3dfy s VAL 157 CO 0.14 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.73 3dfy s ILE 158 N 1.72 1.82 -0.19 2.22 1.01 -0.37 -2.54 121.20 124.87 3dfy s ILE 158 Ca 0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 3dfy s ILE 158 Cb -0.13 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3dfy s ILE 158 CO -0.06 0.50 0.50 -0.75 0.00 0.00 0.00 174.94 175.14 3dfy s LYS 159 N 1.01 4.21 -0.23 2.79 2.20 0.15 -1.78 119.74 128.09 3dfy s LYS 159 Ca -0.04 0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.92 3dfy s LYS 159 Cb -0.15 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.63 3dfy s LYS 159 CO -0.04 -0.09 -0.03 0.42 -0.36 0.00 0.00 175.35 175.25 3dfy s ILE 160 N 1.45 3.38 0.12 5.43 1.01 0.86 -0.42 121.20 133.03 3dfy s ILE 160 Ca 0.24 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 60.03 3dfy s ILE 160 Cb -0.15 -2.59 -0.07 0.00 0.01 0.00 0.00 42.46 39.66 3dfy s ILE 160 CO 0.09 0.35 0.84 -0.54 0.00 0.00 0.00 174.94 175.69 3dfy s LYS 161 N 1.46 4.61 0.07 2.79 1.02 -0.89 -1.96 119.74 126.84 3dfy s LYS 161 Ca 0.05 1.24 -0.00 0.00 0.02 0.00 0.00 55.97 57.28 3dfy s LYS 161 Cb -0.15 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 3dfy s LYS 161 CO -0.03 0.37 0.09 1.33 -0.92 0.00 0.00 175.35 176.19 3dfy n VAL 162 N 2.33 0.00 0.00 3.17 0.24 -0.72 -4.45 118.33 118.90 3dfy n VAL 162 Ca -0.02 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3dfy n VAL 162 Cb 0.49 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 3dfy n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dfy n GLY 163 N -0.11 1.80 0.11 7.63 0.00 -1.26 -4.17 105.19 109.18 3dfy n GLY 163 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3dfy n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dfy n GLU 164 N 0.00 0.68 -3.51 1.61 1.02 -1.26 -4.37 120.64 114.81 3dfy n GLU 164 Ca 0.00 0.17 -0.27 0.00 -0.02 0.00 0.00 57.16 57.04 3dfy n GLU 164 Cb 0.00 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.64 3dfy n GLU 164 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dfy s ASN 165 N -6.16 3.15 0.16 1.62 3.84 -1.26 -5.04 114.94 111.24 3dfy s ASN 165 Ca -0.16 -1.17 -0.24 0.00 0.21 0.00 0.00 52.86 51.51 3dfy s ASN 165 Cb 0.07 -0.18 0.04 0.00 -0.55 0.00 0.00 41.25 40.63 3dfy s ASN 165 CO 0.77 -0.43 1.60 0.25 -2.79 0.00 0.00 177.10 176.50 3dfy h LEU 166 N 8.38 -1.08 -0.27 3.21 5.85 -1.98 0.54 115.31 129.97 3dfy h LEU 166 Ca -0.19 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3dfy h LEU 166 Cb 1.03 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 3dfy h LEU 166 CO 0.42 -0.33 0.04 0.11 -0.34 0.00 0.00 178.44 178.34 3dfy h LYS 167 N -0.29 0.13 -0.44 1.25 1.57 -2.00 -1.14 116.57 115.66 3dfy h LYS 167 Ca 0.15 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3dfy h LYS 167 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3dfy h LYS 167 CO -0.50 0.09 -0.26 0.93 -0.57 0.00 0.00 179.45 179.14 3dfy h GLU 168 N 0.13 0.93 -0.99 3.15 5.08 -1.89 -2.16 114.58 118.84 3dfy h GLU 168 Ca 0.13 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3dfy h GLU 168 Cb 0.14 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3dfy h GLU 168 CO -0.18 1.08 0.65 -0.44 -1.00 0.00 0.00 179.01 179.12 3dfy h ASP 169 N 0.80 1.07 -0.58 1.42 3.32 0.41 0.71 116.42 123.57 3dfy h ASP 169 Ca 0.09 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3dfy h ASP 169 Cb 0.83 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3dfy h ASP 169 CO 0.07 0.73 -0.01 0.40 -1.72 0.00 0.00 179.24 178.70 3dfy h ILE 170 N 1.24 1.27 -0.20 0.35 2.04 -1.07 -1.56 117.51 119.58 3dfy h ILE 170 Ca 0.40 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3dfy h ILE 170 Cb 0.03 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3dfy h ILE 170 CO -0.13 0.42 -0.04 -0.08 0.00 0.00 0.00 178.15 178.32 3dfy h GLU 171 N 0.93 0.39 -0.18 2.37 4.81 -0.55 -2.52 114.58 119.83 3dfy h GLU 171 Ca 0.16 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3dfy h GLU 171 Cb 0.57 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 3dfy h GLU 171 CO 0.03 0.62 -0.06 0.00 -0.73 0.00 0.00 179.01 178.88 3dfy h ALA 172 N 0.75 0.10 -0.28 2.92 0.00 0.53 -0.35 119.26 122.94 3dfy h ALA 172 Ca 0.05 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dfy h ALA 172 Cb 0.47 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3dfy h ALA 172 CO 0.02 -0.49 0.06 0.28 0.00 0.00 0.00 179.25 179.12 3dfy h VAL 173 N -0.02 0.88 -0.08 0.00 2.07 -1.28 0.17 116.25 117.99 3dfy h VAL 173 Ca 0.09 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3dfy h VAL 173 Cb 0.16 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3dfy h VAL 173 CO -0.20 0.03 -0.09 -0.08 0.02 0.00 0.00 177.57 177.25 3dfy h GLU 174 N 0.16 -0.11 -0.52 1.57 4.81 -1.03 0.28 114.58 119.75 3dfy h GLU 174 Ca 0.13 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3dfy h GLU 174 Cb 0.13 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3dfy h GLU 174 CO -0.16 -0.08 0.18 0.93 -0.73 0.00 0.00 179.01 179.15 3dfy h GLU 175 N -0.12 0.75 -0.42 1.92 4.39 -0.70 -2.09 114.58 118.31 3dfy h GLU 175 Ca 0.06 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 3dfy h GLU 175 Cb 0.20 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3dfy h GLU 175 CO -0.15 0.64 -0.22 0.82 -1.16 0.00 0.00 179.01 178.94 3dfy h ILE 176 N 0.74 1.27 -0.78 3.13 2.04 -0.21 -3.04 117.51 120.66 3dfy h ILE 176 Ca 0.17 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 3dfy h ILE 176 Cb 0.19 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3dfy h ILE 176 CO -0.01 0.46 0.38 0.00 0.00 0.00 0.00 178.15 178.98 3dfy h ALA 177 N 0.99 1.00 -0.89 1.87 0.00 -0.37 -2.87 119.26 119.00 3dfy h ALA 177 Ca 0.10 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3dfy h ALA 177 Cb 0.76 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3dfy h ALA 177 CO 0.06 0.56 0.58 0.87 0.00 0.00 0.00 179.25 181.32 3dfy h LYS 178 N 1.09 0.98 -0.64 0.00 1.57 -1.28 -2.69 116.57 115.60 3dfy h LYS 178 Ca 0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3dfy h LYS 178 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3dfy h LYS 178 CO -0.04 0.65 0.00 1.33 -0.57 0.00 0.00 179.45 180.82 3dfy n VAL 179 N -4.49 0.85 -2.49 0.50 0.24 -1.12 -4.33 118.33 107.49 3dfy n VAL 179 Ca 0.13 -0.87 0.01 0.00 -2.04 0.00 0.00 64.34 61.57 3dfy n VAL 179 Cb 0.20 0.47 0.05 0.00 -1.47 0.00 0.00 33.84 33.09 3dfy n VAL 179 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3dfy n THR 180 N 1.43 0.81 -1.61 3.34 -2.24 -1.02 -4.71 114.28 110.28 3dfy n THR 180 Ca 0.22 -2.08 -0.47 0.00 -2.27 0.00 0.00 64.05 59.45 3dfy n THR 180 Cb 0.56 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 3dfy n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dfy n ARG 181 N -0.11 1.49 0.00 -0.78 1.74 -1.19 -1.74 116.66 116.07 3dfy n ARG 181 Ca 0.10 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3dfy n ARG 181 Cb 0.98 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3dfy n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dfy n GLY 182 N 2.02 0.40 3.94 -0.13 0.00 -1.26 -5.08 105.19 105.08 3dfy n GLY 182 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3dfy n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy s ALA 183 N -2.07 3.95 0.15 4.61 0.00 -0.71 -5.00 121.76 122.69 3dfy s ALA 183 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 3dfy s ALA 183 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3dfy s ALA 183 CO 0.00 0.54 0.32 0.15 0.00 0.00 0.00 175.76 176.77 3dfy s LYS 184 N -3.21 3.50 -0.01 0.00 1.02 0.29 -4.98 119.74 116.35 3dfy s LYS 184 Ca 0.35 -0.39 0.07 0.00 0.02 0.00 0.00 55.97 56.02 3dfy s LYS 184 Cb -0.11 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 3dfy s LYS 184 CO 0.29 0.49 -0.22 0.71 -0.92 0.00 0.00 175.35 175.69 3dfy s TYR 185 N -1.72 2.00 -0.14 3.18 2.02 -1.26 -1.24 117.35 120.19 3dfy s TYR 185 Ca 0.37 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 3dfy s TYR 185 Cb -0.12 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 3dfy s TYR 185 CO 0.28 -0.02 -0.19 0.42 -1.57 0.00 0.00 175.55 174.47 3dfy s ILE 186 N -0.55 1.88 -0.18 2.71 1.01 -0.73 -0.12 121.20 125.21 3dfy s ILE 186 Ca 0.09 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 3dfy s ILE 186 Cb -0.09 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3dfy s ILE 186 CO -0.01 0.51 -0.04 -0.69 0.00 0.00 0.00 174.94 174.72 3dfy s VAL 187 N 0.98 3.73 -0.30 2.92 1.01 0.28 -0.10 120.40 128.92 3dfy s VAL 187 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3dfy s VAL 187 Cb -0.15 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.64 3dfy s VAL 187 CO -0.04 0.46 -0.02 -0.62 0.00 0.00 0.00 175.10 174.88 3dfy s ASP 188 N 0.78 4.76 0.00 3.32 -1.08 -0.83 0.77 116.67 124.38 3dfy s ASP 188 Ca -0.01 -1.43 0.29 0.00 -0.52 0.00 0.00 52.55 50.88 3dfy s ASP 188 Cb -0.14 -1.66 1.22 0.00 -1.46 0.00 0.00 42.92 40.87 3dfy s ASP 188 CO 0.02 -0.26 1.87 0.00 0.52 0.00 0.00 175.17 177.31 3dfy n ALA 189 N 4.53 2.69 -4.13 3.66 0.00 -0.98 -1.76 120.51 124.52 3dfy n ALA 189 Ca -0.11 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 3dfy n ALA 189 Cb 0.43 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 3dfy n ALA 189 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dfy n ASN 190 N -1.22 -0.61 -1.78 0.00 4.13 -1.20 -1.54 115.26 113.04 3dfy n ASN 190 Ca 0.12 -1.19 -0.20 0.00 1.68 0.00 0.00 54.58 54.99 3dfy n ASN 190 Cb 0.29 -2.14 -0.07 0.00 -1.54 0.00 0.00 39.78 36.32 3dfy n ASN 190 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3dfy n MET 191 N -4.59 -1.51 0.10 3.52 2.81 0.66 -4.90 117.12 113.21 3dfy n MET 191 Ca -0.28 1.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.85 3dfy n MET 191 Cb 0.67 -5.56 0.17 0.00 -0.71 0.00 0.00 33.22 27.79 3dfy n MET 191 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3dfy h GLY 192 N 0.00 0.00 -3.39 3.03 0.00 -1.21 -3.35 103.07 98.15 3dfy h GLY 192 Ca -0.42 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.43 3dfy h GLY 192 CO 0.58 0.00 -0.44 -0.19 0.00 0.00 0.00 176.54 176.49 3dfy s TYR 193 N -3.21 3.44 0.76 5.60 2.02 -0.44 -4.86 117.35 120.67 3dfy s TYR 193 Ca 0.05 0.01 -0.07 0.00 -0.37 0.00 0.00 57.07 56.69 3dfy s TYR 193 Cb 0.11 -1.59 0.11 0.00 -0.40 0.00 0.00 41.96 40.20 3dfy s TYR 193 CO 0.71 0.46 1.07 0.95 -1.57 0.00 0.00 175.55 177.17 3dfy s THR 194 N -1.93 2.19 0.18 -0.71 -4.23 -1.26 -4.23 115.64 105.65 3dfy s THR 194 Ca 0.34 -0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 3dfy s THR 194 Cb -0.09 -2.88 0.08 0.00 1.34 0.00 0.00 72.50 70.95 3dfy s THR 194 CO 0.29 0.00 1.83 1.56 -0.54 0.00 0.00 174.62 177.76 3dfy h GLN 195 N -0.79 0.68 -0.55 3.99 4.20 -1.93 -0.86 115.11 119.85 3dfy h GLN 195 Ca -0.42 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.14 3dfy h GLN 195 Cb 1.28 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3dfy h GLN 195 CO 0.49 0.45 -0.08 0.87 -0.67 0.00 0.00 178.83 179.89 3dfy h LYS 196 N 0.70 1.02 -0.53 1.46 1.79 -1.98 -2.31 116.57 116.72 3dfy h LYS 196 Ca 0.21 -0.36 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 3dfy h LYS 196 Cb -0.04 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 3dfy h LYS 196 CO -0.07 1.04 0.00 0.93 -1.08 0.00 0.00 179.45 180.28 3dfy h GLU 197 N 0.91 0.93 -0.68 3.15 5.08 -1.87 -1.07 114.58 121.03 3dfy h GLU 197 Ca 0.15 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3dfy h GLU 197 Cb 0.64 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3dfy h GLU 197 CO 0.04 0.95 0.43 0.00 -1.00 0.00 0.00 179.01 179.43 3dfy h ALA 198 N 0.95 0.88 -0.27 3.43 0.00 -1.03 0.15 119.26 123.36 3dfy h ALA 198 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 198 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dfy h ALA 198 CO 0.03 0.21 -0.05 0.28 0.00 0.00 0.00 179.25 179.71 3dfy h VAL 199 N 0.84 1.28 -0.51 0.00 2.07 -1.25 -2.41 116.25 116.26 3dfy h VAL 199 Ca 0.27 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3dfy h VAL 199 Cb -0.00 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3dfy h VAL 199 CO -0.10 0.33 0.25 -0.08 0.02 0.00 0.00 177.57 177.99 3dfy h GLU 200 N 0.27 0.46 -0.45 1.57 4.57 -0.68 0.15 114.58 120.47 3dfy h GLU 200 Ca 0.07 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.29 3dfy h GLU 200 Cb 0.51 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 3dfy h GLU 200 CO 0.02 0.31 0.12 0.35 -1.18 0.00 0.00 179.01 178.63 3dfy h PHE 201 N 0.48 0.20 -0.27 0.92 3.57 -0.59 0.85 116.94 122.11 3dfy h PHE 201 Ca 0.23 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3dfy h PHE 201 Cb 0.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3dfy h PHE 201 CO -0.11 0.04 0.15 0.00 -2.23 0.00 0.00 178.31 176.17 3dfy h ALA 202 N 1.33 0.35 -0.50 2.41 0.00 -0.82 -2.49 119.26 119.53 3dfy h ALA 202 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3dfy h ALA 202 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dfy h ALA 202 CO -0.26 -0.13 0.17 0.00 0.00 0.00 0.00 179.25 179.02 3dfy h ARG 203 N 0.33 0.77 -0.20 0.00 3.08 -0.48 -1.68 114.38 116.20 3dfy h ARG 203 Ca 0.10 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3dfy h ARG 203 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3dfy h ARG 203 CO -0.02 0.71 0.11 0.00 -1.07 0.00 0.00 179.97 179.71 3dfy h ALA 204 N 1.02 0.26 -0.82 0.04 0.00 -0.80 -0.86 119.26 118.11 3dfy h ALA 204 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 204 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3dfy h ALA 204 CO -0.01 -0.21 0.40 0.28 0.00 0.00 0.00 179.25 179.72 3dfy h VAL 205 N 0.22 1.25 -0.42 0.00 2.07 -1.41 -2.79 116.25 115.18 3dfy h VAL 205 Ca 0.07 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3dfy h VAL 205 Cb 0.08 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3dfy h VAL 205 CO -0.01 0.30 0.24 0.22 0.02 0.00 0.00 177.57 178.34 3dfy h TYR 206 N 1.16 0.56 0.00 1.57 3.20 -0.95 -2.17 116.97 120.34 3dfy h TYR 206 Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3dfy h TYR 206 Cb 0.10 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3dfy h TYR 206 CO 0.01 0.40 -0.09 1.96 -1.64 0.00 0.00 178.16 178.81 3dfy h GLN 207 N 0.54 0.00 -0.00 1.82 1.08 -0.97 0.84 115.11 118.42 3dfy h GLN 207 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3dfy h GLN 207 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3dfy h GLN 207 CO -0.03 0.09 0.00 1.63 -0.95 0.00 0.00 178.83 179.57 3dfy n LYS 208 N -3.85 1.01 -1.16 1.46 5.02 -0.84 -4.86 118.16 114.92 3dfy n LYS 208 Ca -0.02 -0.01 -0.06 0.00 -2.02 0.00 0.00 58.31 56.20 3dfy n LYS 208 Cb 0.18 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 3dfy n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfy n GLY 209 N 0.64 0.78 3.86 0.72 0.00 0.29 -5.01 105.19 106.47 3dfy n GLY 209 Ca 0.06 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3dfy n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfy s ILE 210 N -2.05 5.12 -0.12 -0.61 1.01 -1.04 -5.04 121.20 118.47 3dfy s ILE 210 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 3dfy s ILE 210 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3dfy s ILE 210 CO 0.00 0.39 -0.06 -0.62 0.00 0.00 0.00 174.94 174.65 3dfy s ASP 211 N -1.55 4.67 -0.26 3.58 2.15 -1.26 -4.22 116.67 119.79 3dfy s ASP 211 Ca 0.29 -0.11 -0.04 0.00 0.43 0.00 0.00 52.55 53.12 3dfy s ASP 211 Cb -0.14 -1.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.93 3dfy s ASP 211 CO 0.16 0.24 0.00 -0.63 -0.17 0.00 0.00 175.17 174.77 3dfy s ILE 212 N -0.06 3.48 0.09 4.11 1.01 -1.26 -4.34 121.20 124.23 3dfy s ILE 212 Ca 0.01 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 3dfy s ILE 212 Cb -0.13 -2.72 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 3dfy s ILE 212 CO 0.03 0.22 1.62 0.00 0.00 0.00 0.00 174.94 176.81 3dfy h ALA 213 N 8.13 0.23 -3.45 9.38 0.00 -0.91 -3.39 119.26 129.24 3dfy h ALA 213 Ca -0.35 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 3dfy h ALA 213 Cb 1.13 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.50 3dfy h ALA 213 CO 0.59 -0.18 -0.73 0.08 0.00 0.00 0.00 179.25 179.01 3dfy s VAL 214 N -5.52 -0.06 -0.54 0.00 1.01 -1.20 -4.30 120.40 109.79 3dfy s VAL 214 Ca -0.14 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 3dfy s VAL 214 Cb 0.07 -0.12 0.14 0.00 0.00 0.00 0.00 36.38 36.47 3dfy s VAL 214 CO 0.70 0.12 0.42 -0.47 0.00 0.00 0.00 175.10 175.88 3dfy s TYR 215 N 1.40 3.46 0.04 5.22 5.04 0.96 -0.56 117.35 132.92 3dfy s TYR 215 Ca -0.05 -2.00 -0.27 0.00 -2.44 0.00 0.00 57.07 52.31 3dfy s TYR 215 Cb -0.13 -3.51 -0.05 0.00 0.35 0.00 0.00 41.96 38.62 3dfy s TYR 215 CO -0.03 -0.97 0.86 -2.00 -1.34 0.00 0.00 175.55 172.07 3dfy s GLU 216 N 1.00 4.56 -0.03 4.97 2.12 0.23 -1.29 118.70 130.26 3dfy s GLU 216 Ca 0.09 1.23 -0.00 0.00 0.36 0.00 0.00 54.97 56.65 3dfy s GLU 216 Cb -0.23 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3dfy s GLU 216 CO -0.02 0.16 0.02 0.94 -0.54 0.00 0.00 175.26 175.82 3dfy n GLN 217 N 3.16 -0.06 0.19 4.30 -0.06 0.02 -2.31 117.38 122.61 3dfy n GLN 217 Ca 0.01 0.03 0.06 0.00 -2.00 0.00 0.00 57.00 55.10 3dfy n GLN 217 Cb 0.50 -0.08 0.32 0.00 -4.06 0.00 0.00 30.24 26.92 3dfy n GLN 217 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3dfy h PRO 218 N 0.84 0.00 -5.96 3.69 0.13 -1.84 0.19 132.00 129.06 3dfy h PRO 218 Ca -0.02 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.56 3dfy h PRO 218 Cb 0.05 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.11 3dfy h PRO 218 CO 0.01 0.35 -0.47 0.14 -0.23 0.00 0.00 178.00 177.80 3dfy s VAL 219 N -3.51 2.39 0.65 1.56 -7.23 -1.26 -1.33 120.40 111.68 3dfy s VAL 219 Ca 0.01 -1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 58.38 3dfy s VAL 219 Cb 0.10 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 3dfy s VAL 219 CO 0.68 -0.00 0.72 0.54 -0.31 0.00 0.00 175.10 176.73 3dfy n ARG 220 N -1.30 0.56 0.07 4.82 1.74 -1.26 -4.21 116.66 117.08 3dfy n ARG 220 Ca -0.00 0.23 0.07 0.00 -0.77 0.00 0.00 57.85 57.38 3dfy n ARG 220 Cb 0.64 -1.95 0.52 0.00 -1.02 0.00 0.00 32.46 30.64 3dfy n ARG 220 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3dfy h ARG 221 N 0.05 0.33 -0.00 5.56 0.11 -1.92 -2.19 114.38 116.32 3dfy h ARG 221 Ca -0.47 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3dfy h ARG 221 Cb 1.37 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3dfy h ARG 221 CO 0.47 0.22 -0.21 0.39 0.10 0.00 0.00 179.97 180.93 3dfy n GLU 222 N -4.49 0.35 -2.24 0.08 -0.58 -1.26 -4.45 120.64 108.05 3dfy n GLU 222 Ca 0.03 -0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.20 3dfy n GLU 222 Cb 0.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3dfy n GLU 222 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3dfy n ASP 223 N -1.20 5.10 -0.23 1.62 2.03 -0.82 -4.71 116.55 118.33 3dfy n ASP 223 Ca 0.10 -3.08 -0.07 0.00 0.52 0.00 0.00 54.79 52.27 3dfy n ASP 223 Cb 0.31 -1.49 0.07 0.00 -0.72 0.00 0.00 41.12 39.29 3dfy n ASP 223 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dfy h ILE 224 N 3.71 1.26 -0.33 5.18 1.08 -1.83 -1.33 117.51 125.24 3dfy h ILE 224 Ca 0.43 -0.97 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 3dfy h ILE 224 Cb 0.61 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 3dfy h ILE 224 CO 1.66 0.37 0.09 -0.33 -0.69 0.00 0.00 178.15 179.24 3dfy h GLU 225 N 1.02 0.47 -0.42 2.37 4.39 -1.98 -1.68 114.58 118.75 3dfy h GLU 225 Ca 0.21 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.70 3dfy h GLU 225 Cb 0.38 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3dfy h GLU 225 CO 0.00 0.43 -0.29 0.78 -1.16 0.00 0.00 179.01 178.78 3dfy h GLY 226 N 0.68 1.01 0.99 -3.84 0.00 -1.70 -0.41 103.07 99.80 3dfy h GLY 226 Ca 0.11 -0.97 0.01 0.00 0.00 0.00 0.00 47.33 46.48 3dfy h GLY 226 CO -0.01 0.88 0.38 1.41 0.00 0.00 0.00 176.54 179.20 3dfy h LEU 227 N 0.76 0.65 -0.87 3.11 3.38 -0.72 0.31 115.31 121.94 3dfy h LEU 227 Ca 0.08 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3dfy h LEU 227 Cb 0.87 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3dfy h LEU 227 CO 0.08 0.47 -0.01 0.50 0.09 0.00 0.00 178.44 179.56 3dfy h LYS 228 N 0.77 0.83 0.02 1.13 3.64 -1.14 0.10 116.57 121.92 3dfy h LYS 228 Ca 0.21 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3dfy h LYS 228 Cb -0.07 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3dfy h LYS 228 CO -0.05 0.84 -0.01 0.35 -2.27 0.00 0.00 179.45 178.31 3dfy h PHE 229 N 0.77 -0.02 -0.88 1.91 3.57 -0.38 -1.58 116.94 120.33 3dfy h PHE 229 Ca 0.15 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3dfy h PHE 229 Cb 0.48 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 3dfy h PHE 229 CO 0.03 0.17 0.48 0.28 -2.23 0.00 0.00 178.31 177.03 3dfy h VAL 230 N -0.21 1.26 -0.76 1.41 2.07 -0.73 -2.33 116.25 116.96 3dfy h VAL 230 Ca -0.00 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3dfy h VAL 230 Cb 0.20 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 3dfy h VAL 230 CO 0.00 0.29 0.47 -0.09 0.02 0.00 0.00 177.57 178.27 3dfy h ARG 231 N 1.24 0.87 -0.30 1.57 2.43 -0.61 0.31 114.38 119.89 3dfy h ARG 231 Ca 0.31 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3dfy h ARG 231 Cb 0.04 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3dfy h ARG 231 CO -0.05 0.58 0.12 0.35 -1.51 0.00 0.00 179.97 179.46 3dfy h PHE 232 N 0.90 0.46 0.00 2.20 3.57 -0.75 -3.26 116.94 120.05 3dfy h PHE 232 Ca 0.31 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.59 3dfy h PHE 232 Cb 0.07 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3dfy h PHE 232 CO -0.04 0.45 -1.16 0.45 -2.23 0.00 0.00 178.31 175.78 3dfy h HIS 233 N 0.33 0.00 -3.46 0.41 3.86 -1.30 -3.46 115.15 111.53 3dfy h HIS 233 Ca 0.10 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.79 3dfy h HIS 233 Cb 0.18 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.68 3dfy h HIS 233 CO -0.01 0.75 0.60 0.45 0.86 0.00 0.00 177.93 180.59 3dfy s SER 234 N -6.23 6.99 0.11 2.45 0.15 0.11 -4.91 113.70 112.36 3dfy s SER 234 Ca -0.01 2.33 0.27 0.00 0.70 0.00 0.00 55.95 59.25 3dfy s SER 234 Cb 0.09 -2.61 0.88 0.00 -1.71 0.00 0.00 66.02 62.66 3dfy s SER 234 CO 0.80 -0.45 1.75 -0.81 1.20 0.00 0.00 173.24 175.73 3dfy n PRO 235 N 2.46 0.16 -4.05 5.44 -0.04 -1.26 -4.82 135.00 132.88 3dfy n PRO 235 Ca 0.05 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 3dfy n PRO 235 Cb 0.44 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 3dfy n PRO 235 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dfy s PHE 236 N -3.07 3.23 0.15 0.54 0.08 -1.26 -5.04 117.98 112.61 3dfy s PHE 236 Ca 0.11 0.03 -0.31 0.00 0.12 0.00 0.00 56.93 56.88 3dfy s PHE 236 Cb 0.15 -1.56 -0.09 0.00 -0.57 0.00 0.00 43.02 40.95 3dfy s PHE 236 CO 0.60 0.52 1.52 -2.14 -0.10 0.00 0.00 175.22 175.62 3dfy s PRO 237 N -3.02 4.24 -0.16 0.24 0.02 -1.26 -4.85 135.00 130.21 3dfy s PRO 237 Ca 0.32 2.28 -0.08 0.00 0.02 0.00 0.00 61.00 63.54 3dfy s PRO 237 Cb -0.11 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3dfy s PRO 237 CO 0.24 -0.56 0.11 0.08 -0.33 0.00 0.00 177.00 176.54 3dfy s VAL 238 N 1.13 5.22 0.11 3.83 1.01 -1.26 -0.03 120.40 130.42 3dfy s VAL 238 Ca 0.68 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.87 3dfy s VAL 238 Cb -0.42 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3dfy s VAL 238 CO 0.31 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.72 3dfy s ALA 239 N -0.28 2.55 -0.18 5.51 0.00 -0.41 -0.43 121.76 128.51 3dfy s ALA 239 Ca 0.10 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 3dfy s ALA 239 Cb -0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3dfy s ALA 239 CO 0.01 0.57 0.11 0.00 0.00 0.00 0.00 175.76 176.45 3dfy s ALA 240 N -1.09 3.63 0.00 0.00 0.00 -0.43 -0.80 121.76 123.07 3dfy s ALA 240 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3dfy s ALA 240 Cb -0.10 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.96 3dfy s ALA 240 CO 0.08 0.24 0.00 -3.47 0.00 0.00 0.00 175.76 172.61 3dfy n ASP 241 N 3.28 0.00 0.27 0.00 -0.08 -1.26 -0.50 116.55 118.25 3dfy n ASP 241 Ca -0.17 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.23 3dfy n ASP 241 Cb 0.52 0.00 0.78 0.00 2.34 0.00 0.00 41.12 44.77 3dfy n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3dfy h GLU 242 N 0.00 0.00 -0.00 -0.67 3.07 -1.93 0.63 114.58 115.67 3dfy h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dfy h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3dfy h GLU 242 CO 0.00 0.00 -0.01 0.43 -1.40 0.00 0.00 179.01 178.03 3dfy n SER 243 N -4.18 0.02 -3.80 1.42 7.64 -1.26 -4.43 113.62 109.04 3dfy n SER 243 Ca -0.02 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 3dfy n SER 243 Cb 0.11 -0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 62.82 3dfy n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dfy s ALA 244 N -2.77 2.93 -0.23 -0.43 0.00 0.21 -4.73 121.76 116.74 3dfy s ALA 244 Ca 0.22 -3.19 -0.01 0.00 0.00 0.00 0.00 51.96 48.97 3dfy s ALA 244 Cb 0.20 -2.02 -0.14 0.00 0.00 0.00 0.00 23.12 21.16 3dfy s ALA 244 CO 0.50 -2.05 -0.23 0.54 0.00 0.00 0.00 175.76 174.52 3dfy n ARG 245 N 2.79 0.56 -4.10 0.00 1.74 -1.26 -4.82 116.66 111.56 3dfy n ARG 245 Ca 0.14 0.15 -0.24 0.00 -0.77 0.00 0.00 57.85 57.13 3dfy n ARG 245 Cb 0.36 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 30.29 3dfy n ARG 245 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3dfy s THR 246 N -2.45 2.41 0.42 0.55 -4.23 -1.26 -3.28 115.64 107.79 3dfy s THR 246 Ca -0.32 -1.69 0.21 0.00 -1.18 0.00 0.00 61.69 58.71 3dfy s THR 246 Cb 0.09 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 71.17 3dfy s THR 246 CO 0.50 -0.03 2.01 0.07 -0.54 0.00 0.00 174.62 176.64 3dfy h LYS 247 N 1.43 0.00 -0.13 3.99 2.10 -1.94 -1.77 116.57 120.24 3dfy h LYS 247 Ca -0.43 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.04 3dfy h LYS 247 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3dfy h LYS 247 CO 0.68 0.17 -0.68 0.74 -2.00 0.00 0.00 179.45 178.37 3dfy h PHE 248 N 0.00 0.70 -0.68 0.07 0.04 -1.96 -1.64 116.94 113.46 3dfy h PHE 248 Ca -0.00 -0.29 -0.03 0.00 2.80 0.00 0.00 57.97 60.45 3dfy h PHE 248 Cb 0.37 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3dfy h PHE 248 CO 0.00 1.05 0.32 -0.44 -0.60 0.00 0.00 178.31 178.64 3dfy h ASP 249 N 0.38 0.91 -0.19 2.17 3.32 -1.67 -2.32 116.42 119.02 3dfy h ASP 249 Ca -0.02 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.75 3dfy h ASP 249 Cb 1.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3dfy h ASP 249 CO 0.12 0.79 -0.35 0.58 -1.72 0.00 0.00 179.24 178.67 3dfy h VAL 250 N 0.96 1.28 -0.54 -1.35 2.07 -1.33 -1.21 116.25 116.13 3dfy h VAL 250 Ca 0.23 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 3dfy h VAL 250 Cb 0.14 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3dfy h VAL 250 CO -0.03 0.49 0.17 -0.03 0.02 0.00 0.00 177.57 178.19 3dfy h MET 251 N 0.59 0.80 -0.40 1.57 1.85 -1.10 -0.53 114.93 117.71 3dfy h MET 251 Ca 0.06 -0.14 -0.10 0.00 -0.61 0.00 0.00 59.70 58.91 3dfy h MET 251 Cb 0.87 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.76 3dfy h MET 251 CO 0.08 0.69 -0.13 -0.09 -0.40 0.00 0.00 176.91 177.05 3dfy h ARG 252 N 0.78 0.80 -0.92 0.39 2.43 -1.09 -0.99 114.38 115.78 3dfy h ARG 252 Ca 0.18 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3dfy h ARG 252 Cb 0.22 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3dfy h ARG 252 CO -0.01 0.94 0.53 -0.07 -1.51 0.00 0.00 179.97 179.85 3dfy h LEU 253 N 0.61 1.12 -0.18 3.80 3.38 -0.67 -0.86 115.31 122.51 3dfy h LEU 253 Ca 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3dfy h LEU 253 Cb 0.67 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3dfy h LEU 253 CO 0.05 0.88 0.02 0.58 0.09 0.00 0.00 178.44 180.06 3dfy h VAL 254 N 1.27 1.23 -0.24 1.22 2.07 -0.93 -0.15 116.25 120.72 3dfy h VAL 254 Ca 0.33 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3dfy h VAL 254 Cb -0.01 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3dfy h VAL 254 CO -0.06 0.23 0.08 0.11 0.02 0.00 0.00 177.57 177.95 3dfy h LYS 255 N 0.07 0.34 -0.01 1.57 1.57 -0.91 -1.59 116.57 117.62 3dfy h LYS 255 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dfy h LYS 255 Cb 0.33 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3dfy h LYS 255 CO 0.01 0.30 -0.20 0.39 -0.57 0.00 0.00 179.45 179.37 3dfy n GLU 256 N -4.42 0.99 -3.79 3.15 -0.58 -0.35 -4.94 120.64 110.69 3dfy n GLU 256 Ca 0.01 -0.57 -0.24 0.00 -0.42 0.00 0.00 57.16 55.94 3dfy n GLU 256 Cb 0.14 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 3dfy n GLU 256 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dfy n GLU 257 N -0.51 -4.60 0.02 3.49 1.02 -0.16 -4.91 120.64 115.00 3dfy n GLU 257 Ca 0.14 0.56 -0.14 0.00 -0.02 0.00 0.00 57.16 57.70 3dfy n GLU 257 Cb 0.35 -5.07 -0.14 0.00 -0.02 0.00 0.00 31.44 26.56 3dfy n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dfy h ALA 258 N 0.87 0.48 -2.30 0.62 0.00 -1.58 -3.45 119.26 113.90 3dfy h ALA 258 Ca -0.61 -1.26 -0.33 0.00 0.00 0.00 0.00 54.91 52.71 3dfy h ALA 258 Cb 1.36 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 19.39 3dfy h ALA 258 CO 0.59 1.33 -0.64 0.14 0.00 0.00 0.00 179.25 180.68 3dfy s VAL 259 N -2.61 0.65 -0.16 0.00 -7.23 -1.26 -3.24 120.40 106.55 3dfy s VAL 259 Ca -0.09 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.26 3dfy s VAL 259 Cb 0.07 -2.40 -0.25 0.00 0.56 0.00 0.00 36.38 34.36 3dfy s VAL 259 CO 0.83 -0.22 0.24 0.47 -0.31 0.00 0.00 175.10 176.11 3dfy n ASP 260 N -0.37 0.21 -4.24 4.85 8.00 0.42 -4.97 116.55 120.45 3dfy n ASP 260 Ca -0.03 0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 3dfy n ASP 260 Cb 0.65 0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 42.45 3dfy n ASP 260 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dfy s TYR 261 N -2.58 1.20 -0.07 1.24 1.51 -0.29 -1.69 117.35 116.66 3dfy s TYR 261 Ca -0.09 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.19 3dfy s TYR 261 Cb 0.07 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.32 3dfy s TYR 261 CO 0.83 0.04 -0.06 0.08 -1.11 0.00 0.00 175.55 175.33 3dfy s VAL 262 N -3.38 0.75 -0.48 0.71 1.01 -0.97 -1.31 120.40 116.72 3dfy s VAL 262 Ca 0.16 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 3dfy s VAL 262 Cb 0.03 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.68 3dfy s VAL 262 CO -0.00 0.30 0.61 0.21 0.00 0.00 0.00 175.10 176.22 3dfy s ASN 263 N 1.33 6.24 0.07 3.32 2.47 0.35 -2.53 114.94 126.20 3dfy s ASN 263 Ca -0.04 -0.76 -0.24 0.00 0.42 0.00 0.00 52.86 52.24 3dfy s ASN 263 Cb -0.14 -2.29 -0.06 0.00 -1.45 0.00 0.00 41.25 37.31 3dfy s ASN 263 CO -0.03 -0.84 0.74 -0.63 -3.72 0.00 0.00 177.10 172.62 3dfy s ILE 264 N 2.64 4.65 -0.06 -5.21 1.01 -0.22 -4.65 121.20 119.37 3dfy s ILE 264 Ca 0.17 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.41 3dfy s ILE 264 Cb -0.18 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.22 3dfy s ILE 264 CO 0.14 0.42 -0.05 -0.54 0.00 0.00 0.00 174.94 174.91 3dfy s LYS 265 N -0.41 0.96 0.54 2.79 1.02 -1.26 -0.49 119.74 122.88 3dfy s LYS 265 Ca 0.37 -0.11 0.23 0.00 0.02 0.00 0.00 55.97 56.48 3dfy s LYS 265 Cb -0.21 -1.03 1.48 0.00 -0.52 0.00 0.00 37.83 37.55 3dfy s LYS 265 CO 0.23 -0.15 2.16 -0.07 -0.92 0.00 0.00 175.35 176.60 3dfy h LEU 266 N 7.57 0.00 -1.16 3.17 3.38 -1.87 -0.36 115.31 126.05 3dfy h LEU 266 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3dfy h LEU 266 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dfy h LEU 266 CO 0.41 0.05 0.00 0.24 0.09 0.00 0.00 178.44 179.23 3dfy h MET 267 N 0.00 0.00 0.02 1.13 2.86 -1.91 0.21 114.93 117.25 3dfy h MET 267 Ca -0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.25 3dfy h MET 267 Cb 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 3dfy h MET 267 CO 0.01 0.00 -2.23 1.63 1.06 0.00 0.00 176.91 177.38 3dfy n LYS 268 N -2.70 0.64 -0.04 1.72 5.02 -0.24 -2.80 118.16 119.76 3dfy n LYS 268 Ca 0.01 0.27 0.03 0.00 -2.02 0.00 0.00 58.31 56.60 3dfy n LYS 268 Cb 0.26 -1.58 -0.16 0.00 -0.02 0.00 0.00 35.03 33.53 3dfy n LYS 268 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dfy n SER 269 N -3.78 0.11 -0.10 4.39 7.64 -0.65 -4.71 113.62 116.52 3dfy n SER 269 Ca -0.44 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.45 3dfy n SER 269 Cb 0.92 1.61 -0.00 0.00 -1.01 0.00 0.00 64.21 65.73 3dfy n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dfy n GLY 270 N 1.47 -1.74 0.26 0.23 0.00 0.75 -3.26 105.19 102.89 3dfy n GLY 270 Ca -0.14 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 3dfy n GLY 270 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dfy h ILE 271 N -0.09 1.27 0.42 -0.61 1.08 -1.83 -2.73 117.51 115.02 3dfy h ILE 271 Ca -0.00 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.09 3dfy h ILE 271 Cb 0.09 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3dfy h ILE 271 CO 0.00 0.46 -0.41 0.77 -0.69 0.00 0.00 178.15 178.29 3dfy h SER 272 N 0.75 -1.12 -0.39 1.72 4.64 -1.94 -1.01 113.55 116.21 3dfy h SER 272 Ca 0.10 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 3dfy h SER 272 Cb 0.78 0.37 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3dfy h SER 272 CO 0.06 -0.54 0.19 0.44 -0.87 0.00 0.00 176.83 176.11 3dfy h ASP 273 N -0.82 0.54 -0.13 4.97 5.19 -1.66 -2.25 116.42 122.26 3dfy h ASP 273 Ca -0.05 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3dfy h ASP 273 Cb 0.71 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3dfy h ASP 273 CO -0.04 0.47 0.07 0.00 -3.12 0.00 0.00 179.24 176.62 3dfy h ALA 274 N 1.61 0.16 -0.93 3.45 0.00 -1.23 0.27 119.26 122.59 3dfy h ALA 274 Ca 0.15 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3dfy h ALA 274 Cb 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3dfy h ALA 274 CO -0.02 -0.37 0.61 -0.07 0.00 0.00 0.00 179.25 179.41 3dfy h LEU 275 N 0.16 1.02 -0.45 0.00 3.38 -0.81 -0.80 115.31 117.80 3dfy h LEU 275 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3dfy h LEU 275 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3dfy h LEU 275 CO -0.02 0.71 0.10 0.00 0.09 0.00 0.00 178.44 179.31 3dfy h ALA 276 N 1.45 0.59 -0.81 1.53 0.00 -0.81 -2.61 119.26 118.61 3dfy h ALA 276 Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dfy h ALA 276 Cb -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3dfy h ALA 276 CO -0.10 0.29 0.40 0.82 0.00 0.00 0.00 179.25 180.65 3dfy h ILE 277 N 0.60 1.25 -0.22 0.00 2.04 0.41 -0.88 117.51 120.71 3dfy h ILE 277 Ca 0.14 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3dfy h ILE 277 Cb 0.34 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3dfy h ILE 277 CO 0.00 0.29 0.13 0.58 0.00 0.00 0.00 178.15 179.16 3dfy h VAL 278 N 1.15 1.03 -0.45 1.67 2.07 -1.00 0.20 116.25 120.91 3dfy h VAL 278 Ca 0.28 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3dfy h VAL 278 Cb 0.10 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3dfy h VAL 278 CO -0.04 0.05 0.18 -0.33 0.02 0.00 0.00 177.57 177.46 3dfy h GLU 279 N 0.27 0.67 -0.09 1.57 4.39 -1.07 -1.76 114.58 118.55 3dfy h GLU 279 Ca 0.08 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.69 3dfy h GLU 279 Cb -0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3dfy h GLU 279 CO -0.03 0.60 -0.03 0.82 -1.16 0.00 0.00 179.01 179.21 3dfy h ILE 280 N 0.58 0.88 -0.03 3.13 2.04 -0.92 -2.11 117.51 121.09 3dfy h ILE 280 Ca 0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 3dfy h ILE 280 Cb 0.18 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3dfy h ILE 280 CO -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 178.15 178.00 3dfy h ALA 281 N 1.07 -0.14 0.00 1.87 0.00 -0.80 -1.33 119.26 119.94 3dfy h ALA 281 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dfy h ALA 281 Cb 0.09 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dfy h ALA 281 CO -0.10 -0.62 0.00 0.39 0.00 0.00 0.00 179.25 178.91 3dfy n GLU 282 N -5.27 0.13 -0.02 0.00 1.02 -0.68 -1.58 120.64 114.24 3dfy n GLU 282 Ca -0.05 0.20 0.07 0.00 -0.02 0.00 0.00 57.16 57.37 3dfy n GLU 282 Cb 0.19 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 3dfy n GLU 282 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dfy n SER 283 N -1.34 2.30 -0.18 1.62 7.64 -0.56 -4.61 113.62 118.49 3dfy n SER 283 Ca 0.05 -1.64 0.01 0.00 1.01 0.00 0.00 58.87 58.30 3dfy n SER 283 Cb 0.10 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 3dfy n SER 283 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dfy n SER 284 N 0.83 0.53 -0.33 6.43 3.41 -0.61 -5.01 113.62 118.87 3dfy n SER 284 Ca 0.09 -1.71 -0.04 0.00 -0.26 0.00 0.00 58.87 56.95 3dfy n SER 284 Cb 0.38 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3dfy n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 285 N -0.23 0.72 3.82 5.00 0.00 -1.07 -5.02 105.19 108.41 3dfy n GLY 285 Ca 0.02 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 3dfy n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dfy s LEU 286 N -0.99 4.50 0.24 0.99 2.96 -0.85 -5.02 118.68 120.51 3dfy s LEU 286 Ca 0.00 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 3dfy s LEU 286 Cb 0.00 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 3dfy s LEU 286 CO 0.00 0.30 0.40 -0.54 -1.32 0.00 0.00 176.35 175.19 3dfy s LYS 287 N -1.08 3.47 0.06 1.98 -0.14 -0.68 -4.41 119.74 118.93 3dfy s LYS 287 Ca 0.26 -0.55 0.03 0.00 -1.36 0.00 0.00 55.97 54.35 3dfy s LYS 287 Cb -0.18 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.10 3dfy s LYS 287 CO 0.16 0.38 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.52 3dfy s LEU 288 N -3.79 2.31 0.08 3.17 1.43 -1.26 -2.30 118.68 118.32 3dfy s LEU 288 Ca 0.36 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3dfy s LEU 288 Cb -0.10 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 3dfy s LEU 288 CO 0.30 -0.22 -0.06 0.00 0.23 0.00 0.00 176.35 176.61 3dfy s MET 289 N -2.05 0.73 -0.05 1.70 0.23 -1.05 -0.84 119.30 117.97 3dfy s MET 289 Ca -0.04 -1.22 0.05 0.00 -1.03 0.00 0.00 55.69 53.45 3dfy s MET 289 Cb -0.07 -0.10 -0.00 0.00 -1.53 0.00 0.00 34.83 33.13 3dfy s MET 289 CO 0.00 -0.04 -0.19 -1.50 -2.03 0.00 0.00 175.02 171.27 3dfy s ILE 290 N -3.38 1.56 0.00 3.16 2.07 -0.87 -1.05 121.20 122.69 3dfy s ILE 290 Ca 0.07 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 3dfy s ILE 290 Cb 0.04 -1.34 0.00 0.00 0.13 0.00 0.00 42.46 41.29 3dfy s ILE 290 CO -0.05 0.45 0.00 0.61 -1.91 0.00 0.00 174.94 174.03 3dfy n GLY 291 N 3.13 7.73 3.77 1.50 0.00 0.36 -0.27 105.19 121.41 3dfy n GLY 291 Ca -0.18 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 3dfy n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n MET 293 N -0.52 0.00 -1.76 0.00 2.81 -1.26 -4.99 117.12 111.40 3dfy n MET 293 Ca -0.06 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.78 3dfy n MET 293 Cb 0.60 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.19 3dfy n MET 293 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dfy n GLY 294 N 4.50 3.82 3.75 3.03 0.00 -1.26 -4.79 105.19 114.24 3dfy n GLY 294 Ca 0.00 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 3dfy n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfy s GLU 295 N -2.80 3.23 0.76 1.61 8.01 -1.26 -4.90 118.70 123.34 3dfy s GLU 295 Ca 0.38 2.30 -0.03 0.00 0.01 0.00 0.00 54.97 57.63 3dfy s GLU 295 Cb 0.37 -2.33 0.16 0.00 -4.31 0.00 0.00 34.13 28.02 3dfy s GLU 295 CO -0.05 -1.14 1.04 -1.13 0.01 0.00 0.00 175.26 173.99 3dfy n SER 296 N -0.88 1.12 -0.35 -0.19 3.41 -1.26 -2.88 113.62 112.59 3dfy n SER 296 Ca 0.09 -2.01 0.13 0.00 -0.26 0.00 0.00 58.87 56.82 3dfy n SER 296 Cb 0.44 -0.70 0.32 0.00 -0.26 0.00 0.00 64.21 64.01 3dfy n SER 296 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dfy h SER 297 N -0.79 0.76 0.63 4.04 4.64 -1.93 0.28 113.55 121.18 3dfy h SER 297 Ca -0.34 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.01 3dfy h SER 297 Cb 1.20 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3dfy h SER 297 CO 0.34 0.26 -0.31 0.25 -0.87 0.00 0.00 176.83 176.50 3dfy h LEU 298 N 0.74 0.00 0.22 5.97 6.46 -1.94 -2.39 115.31 124.37 3dfy h LEU 298 Ca 0.58 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 58.01 3dfy h LEU 298 Cb 0.91 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.87 3dfy h LEU 298 CO -0.39 0.31 -1.53 1.23 -0.62 0.00 0.00 178.44 177.44 3dfy h GLY 299 N 1.57 0.53 2.00 3.75 0.00 -0.87 -3.26 103.07 106.79 3dfy h GLY 299 Ca -0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 47.33 45.93 3dfy h GLY 299 CO 0.04 1.18 -0.23 1.19 0.00 0.00 0.00 176.54 178.72 3dfy h ILE 300 N 0.13 0.79 -0.96 2.60 6.09 -0.94 -2.04 117.51 123.18 3dfy h ILE 300 Ca -0.27 -0.93 0.15 0.00 -1.37 0.00 0.00 64.86 62.45 3dfy h ILE 300 Cb 2.13 1.56 -0.08 0.00 0.47 0.00 0.00 36.82 40.89 3dfy h ILE 300 CO 0.24 0.23 0.61 -1.13 -3.07 0.00 0.00 178.15 175.02 3dfy h ASN 301 N 0.00 0.77 -0.52 2.19 -1.24 -1.46 0.57 115.58 115.89 3dfy h ASN 301 Ca -0.00 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.11 3dfy h ASN 301 Cb 0.54 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.46 3dfy h ASN 301 CO 0.03 0.37 0.27 1.56 -1.29 0.00 0.00 177.43 178.36 3dfy h GLN 302 N 0.80 0.51 -0.05 6.67 4.20 -1.49 -1.60 115.11 124.16 3dfy h GLN 302 Ca 0.50 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.98 3dfy h GLN 302 Cb 0.71 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3dfy h GLN 302 CO -0.27 0.34 -0.81 0.77 -0.67 0.00 0.00 178.83 178.19 3dfy h SER 303 N 0.53 0.51 -0.10 1.46 0.02 -1.22 -2.56 113.55 112.19 3dfy h SER 303 Ca 0.22 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3dfy h SER 303 Cb 0.12 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3dfy h SER 303 CO -0.15 1.13 0.03 0.58 -1.14 0.00 0.00 176.83 177.28 3dfy h VAL 304 N 0.26 0.98 -0.61 2.27 2.07 -0.58 0.29 116.25 120.93 3dfy h VAL 304 Ca -0.05 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3dfy h VAL 304 Cb 1.41 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3dfy h VAL 304 CO 0.14 0.02 0.10 0.45 0.02 0.00 0.00 177.57 178.29 3dfy h HIS 305 N 0.08 1.06 -0.16 1.57 -0.00 -1.36 0.17 115.15 116.51 3dfy h HIS 305 Ca 0.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 3dfy h HIS 305 Cb 0.02 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 3dfy h HIS 305 CO -0.10 0.90 0.07 0.35 -0.00 0.00 0.00 177.93 179.14 3dfy h PHE 306 N 0.94 0.24 -0.46 2.45 3.57 -1.01 0.39 116.94 123.06 3dfy h PHE 306 Ca 0.19 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3dfy h PHE 306 Cb 0.41 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3dfy h PHE 306 CO 0.03 0.30 0.10 0.00 -2.23 0.00 0.00 178.31 176.51 3dfy h ALA 307 N 0.91 0.60 0.14 2.41 0.00 -0.27 -1.54 119.26 121.51 3dfy h ALA 307 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3dfy h ALA 307 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dfy h ALA 307 CO -0.00 0.30 -0.07 -0.07 0.00 0.00 0.00 179.25 179.41 3dfy h LEU 308 N 0.61 -0.16 0.20 0.00 3.38 -0.90 0.17 115.31 118.62 3dfy h LEU 308 Ca 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dfy h LEU 308 Cb 0.34 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3dfy h LEU 308 CO 0.00 0.10 -0.24 1.23 0.09 0.00 0.00 178.44 179.63 3dfy h GLY 309 N -0.42 -0.50 1.58 0.83 0.00 -0.88 -0.69 103.07 102.99 3dfy h GLY 309 Ca -0.02 0.28 -0.23 0.00 0.00 0.00 0.00 47.33 47.36 3dfy h GLY 309 CO 0.03 -0.22 -0.97 -0.91 0.00 0.00 0.00 176.54 174.47 3dfy h THR 310 N -0.49 1.42 -2.72 4.70 1.35 -1.37 -0.78 112.91 115.02 3dfy h THR 310 Ca 0.01 -2.54 -0.41 0.00 -0.55 0.00 0.00 66.41 62.91 3dfy h THR 310 Cb 0.47 2.49 -0.04 0.00 -1.73 0.00 0.00 68.15 69.34 3dfy h THR 310 CO -0.08 0.75 -0.50 0.61 -0.25 0.00 0.00 175.52 176.05 3dfy n GLY 311 N 1.01 -0.10 0.05 5.82 0.00 0.60 -4.76 105.19 107.80 3dfy n GLY 311 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3dfy n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfy n ALA 312 N -1.49 3.03 -2.77 4.61 0.00 -1.26 -4.93 120.51 117.71 3dfy n ALA 312 Ca -0.24 -0.27 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 3dfy n ALA 312 Cb 0.68 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 3dfy n ALA 312 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dfy s PHE 313 N -2.85 3.33 0.05 0.00 0.08 -1.26 -4.41 117.98 112.92 3dfy s PHE 313 Ca 0.16 0.31 -0.06 0.00 0.12 0.00 0.00 56.93 57.46 3dfy s PHE 313 Cb 0.19 -1.86 -0.30 0.00 -0.57 0.00 0.00 43.02 40.47 3dfy s PHE 313 CO 0.59 0.55 1.06 0.93 -0.10 0.00 0.00 175.22 178.25 3dfy h GLU 314 N 5.20 0.32 -4.91 0.44 4.39 -1.35 -3.47 114.58 115.20 3dfy h GLU 314 Ca -0.51 -0.55 -0.35 0.00 0.34 0.00 0.00 59.36 58.29 3dfy h GLU 314 Cb 1.20 0.20 -0.23 0.00 -0.10 0.00 0.00 28.75 29.83 3dfy h GLU 314 CO 0.57 1.25 -0.76 -0.06 -1.16 0.00 0.00 179.01 178.84 3dfy s PHE 315 N -2.64 0.91 -0.12 4.33 0.08 -1.25 -5.06 117.98 114.24 3dfy s PHE 315 Ca -0.06 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.57 3dfy s PHE 315 Cb 0.06 -0.54 0.02 0.00 -0.57 0.00 0.00 43.02 42.00 3dfy s PHE 315 CO 0.89 -0.01 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.86 3dfy s HIS 316 N -1.13 1.88 -0.82 0.36 3.76 -1.25 -2.05 115.29 116.04 3dfy s HIS 316 Ca -0.04 -0.97 0.02 0.00 -0.15 0.00 0.00 55.06 53.92 3dfy s HIS 316 Cb -0.09 -1.42 0.25 0.00 1.11 0.00 0.00 32.58 32.43 3dfy s HIS 316 CO 0.01 -0.55 0.89 -3.47 -0.85 0.00 0.00 174.74 170.77 3dfy n ASP 317 N 4.60 4.39 -3.32 1.40 2.03 0.63 -1.21 116.55 125.07 3dfy n ASP 317 Ca -0.17 -3.33 -0.28 0.00 0.52 0.00 0.00 54.79 51.54 3dfy n ASP 317 Cb 0.50 -0.92 -0.06 0.00 -0.72 0.00 0.00 41.12 39.92 3dfy n ASP 317 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dfy n LEU 318 N 1.48 4.18 -0.33 -2.67 4.77 -1.26 -3.29 117.00 119.87 3dfy n LEU 318 Ca 0.26 -5.51 0.04 0.00 -0.03 0.00 0.00 56.01 50.77 3dfy n LEU 318 Cb 0.37 -0.68 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3dfy n LEU 318 CO 0.45 2.13 0.41 -0.90 -1.33 0.00 0.00 177.39 178.14 3dfy n ASP 319 N 0.54 1.80 -0.34 -1.43 5.75 -1.26 -4.71 116.55 116.89 3dfy n ASP 319 Ca 0.30 -1.43 0.14 0.00 -0.01 0.00 0.00 54.79 53.79 3dfy n ASP 319 Cb 0.40 -0.03 0.34 0.00 -1.03 0.00 0.00 41.12 40.81 3dfy n ASP 319 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3dfy h SER 320 N 1.50 0.75 0.79 -1.12 4.64 -1.87 0.10 113.55 118.34 3dfy h SER 320 Ca 0.00 0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3dfy h SER 320 Cb 0.38 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3dfy h SER 320 CO 0.00 0.25 -0.33 1.12 -0.87 0.00 0.00 176.83 177.00 3dfy h HIS 321 N 0.72 0.00 0.00 4.77 2.07 -1.81 -2.53 115.15 118.37 3dfy h HIS 321 Ca 0.58 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.10 3dfy h HIS 321 Cb 0.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.94 3dfy h HIS 321 CO -0.00 0.33 0.00 1.28 -3.07 0.00 0.00 177.93 176.47 3dfy n LEU 322 N -3.56 0.12 0.05 6.12 4.77 0.33 -2.96 117.00 121.88 3dfy n LEU 322 Ca -0.00 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 3dfy n LEU 322 Cb 0.47 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3dfy n LEU 322 CO 0.36 -0.05 -0.25 0.23 -1.33 0.00 0.00 177.39 176.35 3dfy n MET 323 N -1.61 0.58 -2.86 3.23 2.81 -0.96 -4.96 117.12 113.34 3dfy n MET 323 Ca 0.06 -0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.76 3dfy n MET 323 Cb 0.34 -1.69 0.03 0.00 -0.71 0.00 0.00 33.22 31.18 3dfy n MET 323 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3dfy s LEU 324 N -4.87 3.46 -0.20 4.03 1.43 -1.15 -3.06 118.68 118.32 3dfy s LEU 324 Ca -0.02 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3dfy s LEU 324 Cb 0.12 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3dfy s LEU 324 CO 0.83 -0.98 0.03 -0.54 0.23 0.00 0.00 176.35 175.93 3dfy s LYS 325 N -4.55 3.77 -0.10 1.70 1.02 0.59 -4.95 119.74 117.22 3dfy s LYS 325 Ca 0.57 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 56.07 3dfy s LYS 325 Cb -0.10 -3.16 0.05 0.00 -0.52 0.00 0.00 37.83 34.10 3dfy s LYS 325 CO 0.36 0.09 0.20 -1.21 -0.92 0.00 0.00 175.35 173.87 3dfy s GLU 326 N 0.82 0.10 0.05 1.68 2.02 -1.26 -4.42 118.70 117.70 3dfy s GLU 326 Ca 0.02 0.58 -0.31 0.00 0.02 0.00 0.00 54.97 55.28 3dfy s GLU 326 Cb -0.14 -0.16 -0.18 0.00 0.10 0.00 0.00 34.13 33.75 3dfy s GLU 326 CO 0.02 -0.25 1.52 1.05 0.02 0.00 0.00 175.26 177.62 3dfy h GLU 327 N 7.95 -0.77 -5.61 1.61 4.11 -2.04 -3.42 114.58 116.41 3dfy h GLU 327 Ca -0.23 0.05 -0.66 0.00 0.07 0.00 0.00 59.36 58.59 3dfy h GLU 327 Cb 1.13 0.18 -0.22 0.00 0.50 0.00 0.00 28.75 30.33 3dfy h GLU 327 CO 0.23 -0.48 -0.70 0.54 0.07 0.00 0.00 179.01 178.67 3dfy s VAL 328 N -5.70 3.65 0.28 -1.06 0.11 -1.26 -5.09 120.40 111.33 3dfy s VAL 328 Ca -0.17 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.13 3dfy s VAL 328 Cb 0.03 -2.55 -0.10 0.00 -1.53 0.00 0.00 36.38 32.23 3dfy s VAL 328 CO 0.59 0.54 1.38 0.12 -3.33 0.00 0.00 175.10 174.39 3dfy s PHE 329 N -0.06 3.05 -0.07 1.54 5.36 -1.26 -4.94 117.98 121.60 3dfy s PHE 329 Ca 0.00 1.20 0.10 0.00 -0.96 0.00 0.00 56.93 57.27 3dfy s PHE 329 Cb -0.13 -3.75 0.15 0.00 -0.34 0.00 0.00 43.02 38.95 3dfy s PHE 329 CO 0.03 -2.28 1.05 0.54 -1.46 0.00 0.00 175.22 173.10 3dfy n ARG 330 N 1.77 1.49 -3.36 10.12 1.74 -1.26 -5.06 116.66 122.10 3dfy n ARG 330 Ca 0.04 -1.94 -0.29 0.00 -0.77 0.00 0.00 57.85 54.89 3dfy n ARG 330 Cb 0.41 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.65 3dfy n ARG 330 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dfy s GLY 331 N -1.93 1.90 -0.78 -0.13 0.00 -1.26 -4.03 107.32 101.10 3dfy s GLY 331 Ca 0.17 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 3dfy s GLY 331 CO 0.02 -0.43 2.30 0.28 0.00 0.00 0.00 173.10 175.27 3dfy n LYS 332 N -0.83 3.15 -3.72 2.90 5.02 -1.26 -4.90 118.16 118.53 3dfy n LYS 332 Ca -0.02 -3.24 -0.09 0.00 -2.02 0.00 0.00 58.31 52.94 3dfy n LYS 332 Cb 0.54 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 3dfy n LYS 332 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3dfy s PHE 333 N -2.99 -0.24 -0.15 2.13 -0.12 -1.26 -4.84 117.98 110.51 3dfy s PHE 333 Ca 0.53 -0.12 -0.12 0.00 -0.05 0.00 0.00 56.93 57.17 3dfy s PHE 333 Cb 0.36 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 43.27 3dfy s PHE 333 CO -0.28 -1.04 0.24 0.42 -0.05 0.00 0.00 175.22 174.51 3dfy s ILE 334 N -3.87 5.33 -0.34 -4.49 1.01 0.20 -4.96 121.20 114.08 3dfy s ILE 334 Ca 0.08 0.44 -0.06 0.00 0.00 0.00 0.00 60.65 61.11 3dfy s ILE 334 Cb -0.03 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.91 3dfy s ILE 334 CO -0.01 0.44 0.11 -1.58 0.00 0.00 0.00 174.94 173.90 3dfy s GLN 335 N 0.15 2.62 -0.50 2.79 2.00 -1.26 -1.55 119.66 123.91 3dfy s GLN 335 Ca 0.15 -1.19 0.04 0.00 -2.00 0.00 0.00 55.36 52.36 3dfy s GLN 335 Cb -0.13 -3.47 0.13 0.00 0.80 0.00 0.00 33.01 30.34 3dfy s GLN 335 CO 0.03 -0.67 0.23 0.34 -0.50 0.00 0.00 175.29 174.72 3dfy s ASP 336 N 1.42 4.42 1.68 6.67 3.68 0.46 -5.02 116.67 129.99 3dfy s ASP 336 Ca -0.02 -2.88 0.00 0.00 2.13 0.00 0.00 52.55 51.79 3dfy s ASP 336 Cb -0.20 -1.65 0.00 0.00 -1.45 0.00 0.00 42.92 39.63 3dfy s ASP 336 CO 0.03 -0.26 0.00 0.61 0.13 0.00 0.00 175.17 175.68 3dfy n GLY 337 N 3.30 3.02 0.11 2.66 0.00 -1.26 -1.28 105.19 111.74 3dfy n GLY 337 Ca 0.05 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3dfy n GLY 337 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dfy n PRO 338 N 13.69 0.24 -3.20 1.61 -0.02 -1.26 -4.86 135.00 141.19 3dfy n PRO 338 Ca 0.00 0.28 -0.28 0.00 -2.02 0.00 0.00 63.50 61.48 3dfy n PRO 338 Cb 0.00 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3dfy n PRO 338 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dfy s ARG 339 N -3.17 3.63 -0.01 -0.52 0.52 -0.40 -1.04 118.95 117.95 3dfy s ARG 339 Ca 0.08 0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.35 3dfy s ARG 339 Cb 0.11 -2.58 0.01 0.00 0.52 0.00 0.00 34.95 33.01 3dfy s ARG 339 CO 0.53 0.13 0.03 -1.64 0.02 0.00 0.00 175.30 174.36 3dfy s MET 340 N -3.80 0.01 0.29 3.54 -1.94 -0.21 -0.40 119.30 116.79 3dfy s MET 340 Ca 0.45 0.08 -0.01 0.00 -1.71 0.00 0.00 55.69 54.50 3dfy s MET 340 Cb -0.10 -0.06 -0.02 0.00 2.01 0.00 0.00 34.83 36.66 3dfy s MET 340 CO 0.32 -0.05 0.34 1.03 -0.01 0.00 0.00 175.02 176.65 3dfy s ARG 341 N 0.32 1.65 0.18 2.03 0.52 -0.59 -1.58 118.95 121.47 3dfy s ARG 341 Ca -0.03 -1.73 0.07 0.00 -0.52 0.00 0.00 55.73 53.52 3dfy s ARG 341 Cb -0.04 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 3dfy s ARG 341 CO -0.01 -0.63 0.02 0.54 0.02 0.00 0.00 175.30 175.24 3dfy s VAL 342 N -3.56 3.84 -2.80 3.52 0.11 -1.25 0.59 120.40 120.83 3dfy s VAL 342 Ca 0.34 -1.40 0.26 0.00 -2.93 0.00 0.00 61.98 58.24 3dfy s VAL 342 Cb 0.02 -2.95 0.33 0.00 -1.53 0.00 0.00 36.38 32.26 3dfy s VAL 342 CO 0.19 -0.13 1.45 1.17 -3.33 0.00 0.00 175.10 174.44