#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 3.57 -0.15 0.55 1.01 -0.48 -1.41 121.20 124.29 3dfy s ILE 4 Ca 0.00 1.15 0.12 0.00 0.00 0.00 0.00 60.65 61.92 3dfy s ILE 4 Cb 0.00 -3.74 -0.17 0.00 0.01 0.00 0.00 42.46 38.56 3dfy s ILE 4 CO 0.00 0.11 0.04 1.33 0.00 0.00 0.00 174.94 176.41 3dfy n VAL 5 N 3.70 0.99 -3.63 2.92 0.24 0.18 -0.04 118.33 122.69 3dfy n VAL 5 Ca 0.09 -0.60 -0.14 0.00 -2.04 0.00 0.00 64.34 61.65 3dfy n VAL 5 Cb 0.44 -0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 32.10 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 -4.84 -0.38 -0.01 -1.34 2.47 -1.11 -4.86 114.94 104.87 3dfy s ASN 6 Ca -0.08 0.21 0.03 0.00 0.42 0.00 0.00 52.86 53.43 3dfy s ASN 6 Cb 0.04 0.44 -0.00 0.00 -1.45 0.00 0.00 41.25 40.28 3dfy s ASN 6 CO 0.58 -0.62 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.57 3dfy s VAL 7 N -1.95 0.68 -0.01 -5.21 1.01 -1.26 -0.81 120.40 112.85 3dfy s VAL 7 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3dfy s VAL 7 Cb -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3dfy s VAL 7 CO 0.02 0.20 -0.00 -0.75 0.00 0.00 0.00 175.10 174.56 3dfy s LYS 8 N -0.12 0.13 -0.08 2.72 2.20 0.53 -4.85 119.74 120.27 3dfy s LYS 8 Ca 0.02 0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.64 3dfy s LYS 8 Cb -0.04 -0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.03 3dfy s LYS 8 CO -0.00 -0.04 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.41 3dfy s LEU 9 N 0.39 3.41 -0.04 5.43 1.02 -1.26 -0.68 118.68 126.95 3dfy s LEU 9 Ca -0.03 0.07 -0.02 0.00 0.02 0.00 0.00 54.13 54.17 3dfy s LEU 9 Cb -0.06 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.41 3dfy s LEU 9 CO -0.01 0.37 0.09 -0.44 0.02 0.00 0.00 176.35 176.38 3dfy s SER 10 N -0.88 -0.04 0.05 2.29 0.01 -0.35 -4.96 113.70 109.82 3dfy s SER 10 Ca 0.13 0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.25 3dfy s SER 10 Cb -0.11 0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 3dfy s SER 10 CO 0.02 -0.10 1.28 -0.22 0.41 0.00 0.00 173.24 174.63 3dfy s LEU 11 N 0.76 4.35 -0.14 2.44 2.96 -1.26 -0.71 118.68 127.07 3dfy s LEU 11 Ca -0.06 2.09 -0.00 0.00 -0.22 0.00 0.00 54.13 55.94 3dfy s LEU 11 Cb -0.08 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.06 3dfy s LEU 11 CO -0.03 -0.57 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.81 3dfy s LYS 12 N 1.40 1.71 -0.16 1.98 -0.14 0.39 -4.93 119.74 119.99 3dfy s LYS 12 Ca 0.61 -0.45 -0.12 0.00 -1.36 0.00 0.00 55.97 54.65 3dfy s LYS 12 Cb -0.31 -1.90 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 3dfy s LYS 12 CO 0.28 -0.33 0.23 1.03 -0.76 0.00 0.00 175.35 175.81 3dfy s ARG 13 N 1.61 4.11 -0.12 1.68 1.81 -1.26 -1.01 118.95 125.78 3dfy s ARG 13 Ca 0.03 -0.01 0.01 0.00 -1.72 0.00 0.00 55.73 54.04 3dfy s ARG 13 Cb -0.14 -3.38 0.02 0.00 -0.45 0.00 0.00 34.95 31.00 3dfy s ARG 13 CO -0.09 0.36 -0.13 0.71 -0.68 0.00 0.00 175.30 175.47 3dfy s TYR 14 N 0.14 1.85 0.09 -0.53 2.02 0.33 -4.99 117.35 116.26 3dfy s TYR 14 Ca 0.14 -0.92 -0.28 0.00 -0.37 0.00 0.00 57.07 55.65 3dfy s TYR 14 Cb -0.12 -1.38 -0.06 0.00 -0.40 0.00 0.00 41.96 39.99 3dfy s TYR 14 CO 0.03 -0.52 0.88 -2.00 -1.57 0.00 0.00 175.55 172.37 3dfy s GLU 15 N 1.27 4.62 0.00 -0.62 2.56 -1.26 0.47 118.70 125.74 3dfy s GLU 15 Ca -0.01 1.30 0.00 0.00 0.00 0.00 0.00 54.97 56.25 3dfy s GLU 15 Cb -0.14 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.63 3dfy s GLU 15 CO -0.05 0.27 0.00 0.66 -0.56 0.00 0.00 175.26 175.57 3dfy n TYR 16 N 2.69 -2.75 -2.32 5.30 4.01 -1.26 -1.39 117.16 121.45 3dfy n TYR 16 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3dfy n TYR 16 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 3dfy n TYR 16 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3dfy n GLU 17 N -0.71 0.18 0.00 -0.72 0.00 -1.13 -4.67 120.64 113.59 3dfy n GLU 17 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 57.16 55.54 3dfy n GLU 17 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 31.44 31.58 3dfy n GLU 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3dfy n GLU 29 N 0.11 0.00 -4.08 5.31 -0.58 0.18 -5.17 120.64 116.40 3dfy n GLU 29 Ca -0.10 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.32 3dfy n GLU 29 Cb 0.92 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.64 3dfy n GLU 29 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3dfy s SER 30 N -2.00 4.02 -0.39 1.62 0.15 0.75 -4.98 113.70 112.87 3dfy s SER 30 Ca 0.00 -1.14 -0.11 0.00 0.70 0.00 0.00 55.95 55.39 3dfy s SER 30 Cb 0.00 -1.53 0.04 0.00 -1.71 0.00 0.00 66.02 62.82 3dfy s SER 30 CO 0.00 -0.13 0.24 -0.13 1.20 0.00 0.00 173.24 174.42 3dfy s ARG 31 N 1.17 2.81 0.41 5.44 0.52 -1.26 -0.52 118.95 127.52 3dfy s ARG 31 Ca -0.04 -1.14 0.07 0.00 -0.52 0.00 0.00 55.73 54.10 3dfy s ARG 31 Cb -0.18 -3.79 -0.06 0.00 0.52 0.00 0.00 34.95 31.44 3dfy s ARG 31 CO -0.08 -0.76 0.13 -0.80 0.02 0.00 0.00 175.30 173.81 3dfy s ASN 32 N 1.70 4.28 -0.19 0.23 0.01 -0.18 -4.61 114.94 116.18 3dfy s ASN 32 Ca 0.02 -1.14 0.01 0.00 -0.71 0.00 0.00 52.86 51.05 3dfy s ASN 32 Cb -0.20 -0.47 0.03 0.00 0.41 0.00 0.00 41.25 41.02 3dfy s ASN 32 CO 0.06 -0.50 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.31 3dfy s VAL 33 N -2.62 1.89 0.03 1.60 1.01 0.41 -0.46 120.40 122.25 3dfy s VAL 33 Ca 0.39 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 3dfy s VAL 33 Cb 0.05 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 3dfy s VAL 33 CO 0.21 0.36 0.50 -0.70 0.00 0.00 0.00 175.10 175.47 3dfy s GLU 34 N 1.32 4.11 -0.14 2.72 2.12 0.11 0.26 118.70 129.20 3dfy s GLU 34 Ca 0.02 0.59 -0.02 0.00 0.36 0.00 0.00 54.97 55.92 3dfy s GLU 34 Cb -0.15 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 3dfy s GLU 34 CO -0.10 0.60 -0.09 0.08 -0.54 0.00 0.00 175.26 175.21 3dfy s VAL 35 N -0.90 3.45 -0.12 3.70 1.01 0.13 -1.22 120.40 126.45 3dfy s VAL 35 Ca 0.27 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3dfy s VAL 35 Cb -0.18 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.74 3dfy s VAL 35 CO 0.16 0.51 -0.20 -0.70 0.00 0.00 0.00 175.10 174.87 3dfy s GLU 36 N 0.29 2.77 -0.09 2.72 2.12 0.14 -0.90 118.70 125.75 3dfy s GLU 36 Ca -0.07 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.52 3dfy s GLU 36 Cb -0.15 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 3dfy s GLU 36 CO 0.04 0.00 -0.17 0.42 -0.54 0.00 0.00 175.26 175.01 3dfy s ILE 37 N 0.79 2.72 -0.11 -3.70 1.01 -0.20 -0.35 121.20 121.37 3dfy s ILE 37 Ca -0.09 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3dfy s ILE 37 Cb -0.16 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 3dfy s ILE 37 CO -0.00 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.61 3dfy s VAL 38 N 0.00 2.50 0.29 2.92 1.01 0.01 -1.04 120.40 126.10 3dfy s VAL 38 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3dfy s VAL 38 Cb -0.15 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3dfy s VAL 38 CO 0.05 0.54 0.45 -0.76 0.00 0.00 0.00 175.10 175.38 3dfy s LEU 39 N 0.35 4.16 0.34 3.92 1.02 -0.70 0.52 118.68 128.28 3dfy s LEU 39 Ca -0.15 0.18 0.07 0.00 0.02 0.00 0.00 54.13 54.25 3dfy s LEU 39 Cb -0.17 -3.01 0.76 0.00 0.02 0.00 0.00 46.19 43.79 3dfy s LEU 39 CO 0.07 -0.21 1.86 -0.33 0.02 0.00 0.00 176.35 177.77 3dfy h GLU 40 N 0.97 0.73 0.00 1.70 5.08 -1.57 0.17 114.58 121.67 3dfy h GLU 40 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3dfy h GLU 40 Cb 1.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3dfy h GLU 40 CO 0.60 0.49 0.00 -1.13 -1.00 0.00 0.00 179.01 177.97 3dfy n SER 41 N -4.58 0.50 0.00 1.42 3.41 -1.26 -4.85 113.62 108.26 3dfy n SER 41 Ca 0.18 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 3dfy n SER 41 Cb 0.44 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3dfy n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfy n GLY 42 N -0.59 3.15 3.72 5.00 0.00 0.05 -5.05 105.19 111.47 3dfy n GLY 42 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dfy n GLY 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dfy n VAL 43 N -1.34 2.29 -5.04 1.61 0.31 -1.26 -4.73 118.33 110.17 3dfy n VAL 43 Ca 0.00 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 3dfy n VAL 43 Cb 0.00 -1.69 -0.17 0.00 -0.91 0.00 0.00 33.84 31.07 3dfy n VAL 43 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3dfy s LYS 44 N -2.11 2.51 -0.01 5.55 1.02 -1.26 -1.73 119.74 123.71 3dfy s LYS 44 Ca 0.57 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.85 3dfy s LYS 44 Cb -0.51 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 3dfy s LYS 44 CO 0.61 0.19 -0.08 0.20 -0.92 0.00 0.00 175.35 175.35 3dfy s GLY 45 N 0.29 1.72 0.03 -3.33 0.00 -0.20 -4.67 107.32 101.16 3dfy s GLY 45 Ca -0.14 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 43.65 3dfy s GLY 45 CO 0.06 -0.84 -0.17 -0.19 0.00 0.00 0.00 173.10 171.96 3dfy s TYR 46 N -0.94 1.52 0.18 1.90 2.02 -1.26 -1.03 117.35 119.74 3dfy s TYR 46 Ca 0.16 -0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 3dfy s TYR 46 Cb -0.11 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3dfy s TYR 46 CO 0.06 0.05 0.23 0.20 -1.57 0.00 0.00 175.55 174.51 3dfy s GLY 47 N -1.02 0.81 -0.02 0.71 0.00 -0.08 -4.00 107.32 103.71 3dfy s GLY 47 Ca 0.05 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 3dfy s GLY 47 CO 0.01 -1.05 0.03 1.85 0.00 0.00 0.00 173.10 173.95 3dfy s GLU 48 N -4.03 -0.04 -0.28 2.90 2.12 -1.26 0.22 118.70 118.33 3dfy s GLU 48 Ca 0.24 0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.68 3dfy s GLU 48 Cb 0.04 -0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 3dfy s GLU 48 CO 0.04 -0.17 0.13 0.00 -0.54 0.00 0.00 175.26 174.72 3dfy s ALA 49 N 1.11 3.30 -0.64 6.30 0.00 0.14 -4.40 121.76 127.57 3dfy s ALA 49 Ca -0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 3dfy s ALA 49 Cb -0.13 -2.28 0.16 0.00 0.00 0.00 0.00 23.12 20.87 3dfy s ALA 49 CO -0.03 -0.63 0.46 0.45 0.00 0.00 0.00 175.76 176.01 3dfy s SER 50 N 1.66 5.21 0.83 0.00 0.15 -1.26 -0.45 113.70 119.83 3dfy s SER 50 Ca 0.06 -2.96 -0.12 0.00 0.70 0.00 0.00 55.95 53.62 3dfy s SER 50 Cb -0.16 -1.84 0.09 0.00 -1.71 0.00 0.00 66.02 62.41 3dfy s SER 50 CO 0.07 -0.34 1.19 -2.16 1.20 0.00 0.00 173.24 173.19 3dfy s PRO 51 N -0.22 1.55 -0.07 5.44 0.04 -1.26 -4.58 135.00 135.89 3dfy s PRO 51 Ca 0.18 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 3dfy s PRO 51 Cb -0.20 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.61 3dfy s PRO 51 CO -0.04 -2.27 0.06 0.45 0.04 0.00 0.00 177.00 175.25 3dfy s SER 52 N -2.33 1.43 -0.07 6.66 0.15 -1.26 -4.89 113.70 113.39 3dfy s SER 52 Ca 0.71 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 57.01 3dfy s SER 52 Cb -0.27 -0.19 -0.23 0.00 -1.71 0.00 0.00 66.02 63.63 3dfy s SER 52 CO 0.52 -0.27 1.07 0.15 1.20 0.00 0.00 173.24 175.91 3dfy h PHE 53 N 8.42 0.01 -0.30 3.44 3.57 -1.85 0.41 116.94 130.65 3dfy h PHE 53 Ca -0.13 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.41 3dfy h PHE 53 Cb 1.13 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 3dfy h PHE 53 CO 0.41 0.70 0.04 -0.09 -2.23 0.00 0.00 178.31 177.15 3dfy h ARG 54 N -0.68 0.14 0.03 1.11 2.43 -1.94 0.23 114.38 115.70 3dfy h ARG 54 Ca -0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 3dfy h ARG 54 Cb 0.70 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3dfy h ARG 54 CO 0.00 0.09 -0.78 0.28 -1.51 0.00 0.00 179.97 178.06 3dfy h VAL 55 N 0.14 1.31 -0.00 0.20 2.07 -1.98 -3.40 116.25 114.59 3dfy h VAL 55 Ca 0.14 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.36 3dfy h VAL 55 Cb 0.16 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3dfy h VAL 55 CO -0.20 0.52 -0.78 0.59 0.02 0.00 0.00 177.57 177.72 3dfy n ASN 56 N -4.39 0.88 -0.08 0.57 3.02 -0.01 -4.98 115.26 110.27 3dfy n ASN 56 Ca -0.21 -0.94 -0.01 0.00 -0.03 0.00 0.00 54.58 53.38 3dfy n ASN 56 Cb 0.65 0.96 -0.00 0.00 -0.61 0.00 0.00 39.78 40.78 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 1.39 0.48 3.87 7.41 0.00 0.81 -4.94 105.19 114.21 3dfy n GLY 57 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.89 3.77 -0.05 1.61 2.02 -0.89 -4.84 118.70 119.43 3dfy s GLU 58 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.55 3dfy s GLU 58 Cb 0.00 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.93 3dfy s GLU 58 CO 0.00 -0.14 -0.04 1.03 0.02 0.00 0.00 175.26 176.14 3dfy s ARG 59 N -4.08 0.83 0.44 1.61 0.52 -1.26 -2.86 118.95 114.15 3dfy s ARG 59 Ca 0.53 -0.07 0.23 0.00 -0.52 0.00 0.00 55.73 55.89 3dfy s ARG 59 Cb -0.10 -0.91 1.21 0.00 0.52 0.00 0.00 34.95 35.67 3dfy s ARG 59 CO 0.34 -0.13 1.79 -0.24 0.02 0.00 0.00 175.30 177.08 3dfy h VAL 60 N 6.18 0.51 -0.08 3.52 3.04 -1.94 0.44 116.25 127.92 3dfy h VAL 60 Ca -0.34 -0.10 -0.10 0.00 -1.01 0.00 0.00 66.70 65.16 3dfy h VAL 60 Cb 1.15 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 3dfy h VAL 60 CO 0.42 0.05 -0.39 -0.33 -1.01 0.00 0.00 177.57 176.31 3dfy h GLU 61 N 0.29 0.17 -0.32 4.17 3.07 -1.98 -2.09 114.58 117.89 3dfy h GLU 61 Ca 0.57 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 59.22 3dfy h GLU 61 Cb 1.64 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.54 3dfy h GLU 61 CO -0.22 0.54 -0.35 0.00 -1.40 0.00 0.00 179.01 177.59 3dfy h ALA 62 N 1.46 0.47 -0.20 3.43 0.00 -0.56 -2.23 119.26 121.62 3dfy h ALA 62 Ca 0.01 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3dfy h ALA 62 Cb 0.76 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3dfy h ALA 62 CO 0.06 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 3dfy h LEU 63 N 0.56 -0.08 -1.46 0.00 4.07 -1.10 -2.60 115.31 114.72 3dfy h LEU 63 Ca 0.05 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3dfy h LEU 63 Cb 0.93 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 3dfy h LEU 63 CO 0.08 -0.01 0.29 -0.07 -1.08 0.00 0.00 178.44 177.65 3dfy h LEU 64 N 0.07 0.58 -1.47 1.67 3.38 -1.29 -2.80 115.31 115.44 3dfy h LEU 64 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dfy h LEU 64 Cb 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dfy h LEU 64 CO -0.16 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.82 3dfy h ALA 65 N 1.65 1.00 -0.69 1.53 0.00 -0.99 -3.07 119.26 118.70 3dfy h ALA 65 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 3dfy h ALA 65 Cb -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.61 3dfy h ALA 65 CO -0.03 0.00 0.28 0.44 0.00 0.00 0.00 179.25 179.94 3dfy n ILE 66 N -2.84 2.88 -0.04 0.00 -5.35 -1.05 -4.64 119.36 108.31 3dfy n ILE 66 Ca 0.00 -1.97 -0.08 0.00 -0.27 0.00 0.00 62.75 60.43 3dfy n ILE 66 Cb 0.25 -0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 37.75 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 1.79 0.04 -0.97 6.28 4.81 -1.69 -2.27 114.58 122.57 3dfy h GLU 67 Ca 0.34 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3dfy h GLU 67 Cb 2.27 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.59 3dfy h GLU 67 CO 0.72 0.03 0.63 -0.91 -0.73 0.00 0.00 179.01 178.75 3dfy h ASN 68 N 0.04 1.12 -0.50 1.04 2.35 -1.88 -1.92 115.58 115.82 3dfy h ASN 68 Ca 0.10 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3dfy h ASN 68 Cb 0.13 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3dfy h ASN 68 CO -0.18 0.82 0.14 0.00 -1.65 0.00 0.00 177.43 176.56 3dfy h ALA 69 N 1.38 0.66 -0.46 -0.83 0.00 -1.82 -0.74 119.26 117.45 3dfy h ALA 69 Ca 0.35 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 69 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3dfy h ALA 69 CO -0.07 0.34 -0.04 -0.39 0.00 0.00 0.00 179.25 179.08 3dfy h VAL 70 N 0.69 1.27 -0.44 0.00 -1.51 -1.10 -0.42 116.25 114.73 3dfy h VAL 70 Ca 0.16 -1.12 0.01 0.00 -1.23 0.00 0.00 66.70 64.52 3dfy h VAL 70 Cb 0.31 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 3dfy h VAL 70 CO -0.00 0.39 0.29 -0.09 -1.23 0.00 0.00 177.57 176.92 3dfy h ARG 71 N 0.68 0.57 -0.42 5.19 2.43 -1.26 -1.96 114.38 119.61 3dfy h ARG 71 Ca 0.12 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3dfy h ARG 71 Cb 0.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3dfy h ARG 71 CO 0.03 0.38 0.17 1.49 -1.51 0.00 0.00 179.97 180.52 3dfy h GLU 72 N 0.58 0.59 -0.35 0.20 4.22 -0.85 -0.63 114.58 118.33 3dfy h GLU 72 Ca 0.17 -0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.46 3dfy h GLU 72 Cb -0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3dfy h GLU 72 CO -0.05 0.49 -0.08 0.52 -2.18 0.00 0.00 179.01 177.71 3dfy h MET 73 N 0.59 0.59 0.00 1.92 2.86 -0.29 -3.36 114.93 117.24 3dfy h MET 73 Ca 0.14 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3dfy h MET 73 Cb 0.12 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3dfy h MET 73 CO -0.01 0.67 -0.12 0.44 1.06 0.00 0.00 176.91 178.94 3dfy n ILE 74 N -4.21 0.00 -1.71 -1.22 -5.35 -1.08 -5.01 119.36 100.78 3dfy n ILE 74 Ca 0.01 -0.44 -0.43 0.00 -0.27 0.00 0.00 62.75 61.62 3dfy n ILE 74 Cb 0.31 0.99 -0.02 0.00 -1.74 0.00 0.00 39.64 39.19 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 -1.06 1.21 -0.08 7.28 -1.04 -0.26 -1.98 114.28 118.35 3dfy n THR 75 Ca 0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3dfy n THR 75 Cb 0.04 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 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 1.84 1.36 3.76 3.41 0.00 0.94 -4.96 105.19 111.54 3dfy n GLY 76 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.57 4.91 0.10 -0.61 1.01 -0.84 -4.65 121.20 118.57 3dfy s ILE 77 Ca 0.00 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 3dfy s ILE 77 Cb 0.00 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 3dfy s ILE 77 CO 0.00 0.41 1.11 -0.62 0.00 0.00 0.00 174.94 175.84 3dfy s ASP 78 N -0.16 7.23 0.15 3.58 -1.08 -1.26 -1.38 116.67 123.74 3dfy s ASP 78 Ca 0.31 1.98 0.15 0.00 -0.52 0.00 0.00 52.55 54.47 3dfy s ASP 78 Cb -0.18 -2.59 0.69 0.00 -1.46 0.00 0.00 42.92 39.38 3dfy s ASP 78 CO 0.17 -0.31 1.45 1.33 0.52 0.00 0.00 175.17 178.34 3dfy n VAL 79 N 3.20 1.23 0.41 1.11 0.24 -1.26 -0.96 118.33 122.30 3dfy n VAL 79 Ca 0.05 0.44 0.13 0.00 -2.04 0.00 0.00 64.34 62.93 3dfy n VAL 79 Cb 0.47 -1.37 0.45 0.00 -1.47 0.00 0.00 33.84 31.92 3dfy n VAL 79 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3dfy h ARG 80 N 0.00 0.00 -1.45 7.34 0.11 -1.96 -2.43 114.38 115.99 3dfy h ARG 80 Ca 0.00 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.39 3dfy h ARG 80 Cb 0.14 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 30.90 3dfy h ARG 80 CO 0.00 0.00 0.50 0.09 0.10 0.00 0.00 179.97 180.66 3dfy n ASN 81 N -2.59 6.85 0.25 0.08 3.02 -0.13 -4.77 115.26 117.96 3dfy n ASN 81 Ca 0.03 -3.79 0.16 0.00 -0.03 0.00 0.00 54.58 50.95 3dfy n ASN 81 Cb 0.36 -0.86 0.87 0.00 -0.61 0.00 0.00 39.78 39.55 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 2.51 0.00 -0.20 3.10 -0.00 -1.56 -1.13 116.97 119.69 3dfy h TYR 82 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.25 3dfy h TYR 82 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.32 3dfy h TYR 82 CO 1.17 0.00 0.13 0.00 -0.00 0.00 0.00 178.16 179.45 3dfy h ALA 83 N 1.87 1.85 -0.22 0.10 0.00 -1.88 0.14 119.26 121.12 3dfy h ALA 83 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3dfy h ALA 83 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dfy h ALA 83 CO -0.00 0.13 -0.46 0.00 0.00 0.00 0.00 179.25 178.92 3dfy h ARG 84 N 0.27 0.70 -0.82 0.00 3.08 -1.60 -1.13 114.38 114.88 3dfy h ARG 84 Ca 0.07 -0.46 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 3dfy h ARG 84 Cb -0.02 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3dfy h ARG 84 CO -0.01 1.08 0.36 0.82 -1.07 0.00 0.00 179.97 181.15 3dfy h ILE 85 N 0.42 1.26 -0.36 2.04 2.04 -1.28 -1.09 117.51 120.53 3dfy h ILE 85 Ca 0.00 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3dfy h ILE 85 Cb 1.07 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3dfy h ILE 85 CO 0.10 0.32 0.16 -0.26 0.00 0.00 0.00 178.15 178.47 3dfy h PHE 86 N 1.17 0.53 -0.49 1.37 -1.00 -0.66 -0.46 116.94 117.41 3dfy h PHE 86 Ca 0.28 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.00 3dfy h PHE 86 Cb 0.16 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 3dfy h PHE 86 CO 0.02 0.47 0.20 1.49 -1.61 0.00 0.00 178.31 178.88 3dfy h GLU 87 N 0.44 0.72 -0.17 1.51 4.81 -0.81 -1.86 114.58 119.21 3dfy h GLU 87 Ca 0.12 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3dfy h GLU 87 Cb 0.15 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3dfy h GLU 87 CO -0.01 0.64 0.08 0.82 -0.73 0.00 0.00 179.01 179.81 3dfy h ILE 88 N 0.64 1.12 0.00 2.32 2.04 -1.06 -2.73 117.51 119.85 3dfy h ILE 88 Ca 0.16 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3dfy h ILE 88 Cb 0.18 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3dfy h ILE 88 CO -0.02 0.12 0.00 0.71 0.00 0.00 0.00 178.15 178.96 3dfy h THR 89 N 0.15 0.00 0.00 -0.27 1.35 -0.99 -2.26 112.91 110.89 3dfy h THR 89 Ca 0.06 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3dfy h THR 89 Cb 0.11 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 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 0.68 5.36 3.32 -1.00 -0.27 116.42 124.51 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 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3dfy h ASP 90 CO 0.00 0.00 0.00 0.03 -1.72 0.00 0.00 179.24 177.55 3dfy h ARG 91 N 0.00 0.00 -1.73 3.56 3.08 -1.53 -3.08 114.38 114.69 3dfy h ARG 91 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 3dfy h ARG 91 Cb 0.12 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.06 3dfy h ARG 91 CO 0.00 0.00 0.27 1.28 -1.07 0.00 0.00 179.97 180.45 3dfy n LEU 92 N -2.42 6.16 0.01 3.04 4.77 -0.11 -4.54 117.00 123.90 3dfy n LEU 92 Ca 0.01 -3.23 0.06 0.00 -0.03 0.00 0.00 56.01 52.82 3dfy n LEU 92 Cb 0.22 -1.13 0.26 0.00 -2.33 0.00 0.00 43.42 40.44 3dfy n LEU 92 CO 0.20 1.30 0.69 2.22 -1.33 0.00 0.00 177.39 180.47 3dfy n PHE 93 N 0.83 0.08 1.09 -1.77 1.16 -1.16 -0.75 117.46 116.94 3dfy n PHE 93 Ca 0.28 0.04 0.12 0.00 -1.87 0.00 0.00 57.45 56.01 3dfy n PHE 93 Cb 0.58 -0.56 0.19 0.00 -1.61 0.00 0.00 39.48 38.09 3dfy n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dfy n GLY 94 N -0.37 -0.77 2.50 4.97 0.00 -1.26 -4.17 105.19 106.09 3dfy n GLY 94 Ca 0.02 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.95 1.53 -0.35 1.61 3.72 0.07 -4.74 117.46 118.35 3dfy n PHE 95 Ca 0.08 -3.44 0.12 0.00 -0.05 0.00 0.00 57.45 54.16 3dfy n PHE 95 Cb 0.36 -0.38 0.30 0.00 -0.94 0.00 0.00 39.48 38.83 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 2.94 0.78 -0.56 -1.08 0.13 -1.69 -0.40 132.00 132.12 3dfy h PRO 96 Ca 0.07 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 3dfy h PRO 96 Cb 0.95 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 3dfy h PRO 96 CO 0.60 0.51 0.15 0.66 -0.23 0.00 0.00 178.00 179.69 3dfy h SER 97 N 0.80 0.80 0.25 1.44 4.64 -1.79 0.15 113.55 119.84 3dfy h SER 97 Ca 0.56 -0.14 -0.16 0.00 -0.47 0.00 0.00 61.79 61.58 3dfy h SER 97 Cb 0.81 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3dfy h SER 97 CO -0.36 0.77 -0.62 0.25 -0.87 0.00 0.00 176.83 176.00 3dfy h LEU 98 N 0.83 0.42 -0.25 5.97 5.85 -1.56 -1.30 115.31 125.27 3dfy h LEU 98 Ca 0.18 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3dfy h LEU 98 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3dfy h LEU 98 CO -0.00 0.94 0.16 0.50 -0.34 0.00 0.00 178.44 179.69 3dfy h LYS 99 N 0.27 0.33 0.11 1.25 3.64 -0.28 -0.59 116.57 121.30 3dfy h LYS 99 Ca -0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3dfy h LYS 99 Cb 1.16 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3dfy h LYS 99 CO 0.10 0.24 -0.15 0.00 -2.27 0.00 0.00 179.45 177.37 3dfy h ALA 100 N 1.07 -0.26 -0.68 5.00 0.00 -0.46 -1.39 119.26 122.54 3dfy h ALA 100 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dfy h ALA 100 Cb -0.01 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3dfy h ALA 100 CO -0.02 -0.67 0.42 0.00 0.00 0.00 0.00 179.25 178.98 3dfy h ALA 101 N 0.55 0.89 -0.29 0.00 0.00 -1.01 -0.61 119.26 118.77 3dfy h ALA 101 Ca 0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3dfy h ALA 101 Cb 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dfy h ALA 101 CO -0.07 0.19 -0.48 0.28 0.00 0.00 0.00 179.25 179.17 3dfy h VAL 102 N 0.82 1.28 -0.52 0.00 2.07 -0.99 -1.29 116.25 117.63 3dfy h VAL 102 Ca 0.27 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.01 3dfy h VAL 102 Cb 0.03 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3dfy h VAL 102 CO -0.11 0.54 -0.08 1.56 0.02 0.00 0.00 177.57 179.50 3dfy h GLN 103 N 0.63 0.97 -0.27 1.57 4.20 -1.01 -2.09 115.11 119.11 3dfy h GLN 103 Ca 0.03 -0.35 -0.15 0.00 0.06 0.00 0.00 58.65 58.24 3dfy h GLN 103 Cb 1.06 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 3dfy h GLN 103 CO 0.11 1.02 -0.41 0.35 -0.67 0.00 0.00 178.83 179.23 3dfy h PHE 104 N 0.84 0.93 -0.54 2.96 3.57 -1.08 -2.67 116.94 120.94 3dfy h PHE 104 Ca 0.14 -0.31 0.06 0.00 3.53 0.00 0.00 57.97 61.38 3dfy h PHE 104 Cb 0.64 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3dfy h PHE 104 CO 0.05 1.10 0.36 0.00 -2.23 0.00 0.00 178.31 177.59 3dfy h ALA 105 N 0.67 1.85 -0.37 2.41 0.00 -1.18 0.24 119.26 122.88 3dfy h ALA 105 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dfy h ALA 105 Cb 1.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3dfy h ALA 105 CO 0.09 0.06 0.16 1.15 0.00 0.00 0.00 179.25 180.72 3dfy h THR 106 N 0.52 1.18 -0.23 0.00 2.02 -1.10 -0.94 112.91 114.36 3dfy h THR 106 Ca 0.23 -0.55 -0.16 0.00 0.77 0.00 0.00 66.41 66.71 3dfy h THR 106 Cb 0.27 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3dfy h THR 106 CO -0.06 0.20 -0.51 -0.07 0.37 0.00 0.00 175.52 175.44 3dfy h LEU 107 N 0.46 0.72 -0.57 2.58 3.38 -0.87 -0.83 115.31 120.18 3dfy h LEU 107 Ca 0.13 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3dfy h LEU 107 Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3dfy h LEU 107 CO -0.01 1.10 0.34 -0.78 0.09 0.00 0.00 178.44 179.18 3dfy h ASP 108 N 0.51 0.54 -0.09 -0.43 3.58 -0.42 0.28 116.42 120.40 3dfy h ASP 108 Ca 0.02 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 3dfy h ASP 108 Cb 1.07 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 3dfy h ASP 108 CO 0.10 0.38 -0.01 0.00 -2.88 0.00 0.00 179.24 176.83 3dfy h ALA 109 N 1.26 0.12 -0.39 -0.78 0.00 -1.04 -2.86 119.26 115.57 3dfy h ALA 109 Ca 0.24 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dfy h ALA 109 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3dfy h ALA 109 CO -0.11 -0.17 0.21 1.25 0.00 0.00 0.00 179.25 180.43 3dfy h LEU 110 N -0.14 0.33 -1.79 0.00 5.85 -0.77 -1.88 115.31 116.92 3dfy h LEU 110 Ca 0.02 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3dfy h LEU 110 Cb 0.39 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3dfy h LEU 110 CO 0.01 0.24 0.18 0.77 -0.34 0.00 0.00 178.44 179.29 3dfy h SER 111 N 0.44 0.25 -0.28 1.25 4.64 -0.45 0.44 113.55 119.82 3dfy h SER 111 Ca 0.16 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.36 3dfy h SER 111 Cb 0.04 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3dfy h SER 111 CO -0.09 0.17 -0.29 1.56 -0.87 0.00 0.00 176.83 177.31 3dfy h GLN 112 N 0.29 0.69 0.00 4.77 4.20 -1.12 0.11 115.11 124.05 3dfy h GLN 112 Ca 0.10 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3dfy h GLN 112 Cb 0.07 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3dfy h GLN 112 CO -0.02 0.98 0.00 0.93 -0.67 0.00 0.00 178.83 180.05 3dfy h GLU 113 N 0.43 0.00 -0.01 1.46 5.08 -0.66 -2.20 114.58 118.68 3dfy h GLU 113 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3dfy h GLU 113 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3dfy h GLU 113 CO 0.07 0.00 -0.28 1.28 -1.00 0.00 0.00 179.01 179.08 3dfy n LEU 114 N -2.99 1.58 -0.89 1.33 4.77 0.05 -4.96 117.00 115.88 3dfy n LEU 114 Ca 0.01 -0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 55.39 3dfy n LEU 114 Cb 0.28 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3dfy n LEU 114 CO 0.26 0.29 -0.10 0.61 -1.33 0.00 0.00 177.39 177.11 3dfy n GLY 115 N 1.35 0.20 0.00 -0.72 0.00 -0.31 -5.01 105.19 100.69 3dfy n GLY 115 Ca 0.12 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.79 0.00 -4.27 2.61 5.66 0.24 -5.03 114.28 109.70 3dfy n THR 116 Ca -0.10 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.67 3dfy n THR 116 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 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 -1.86 2.27 0.18 1.09 -0.21 -1.26 -4.02 119.66 115.84 3dfy s GLN 117 Ca 0.00 -1.49 -0.13 0.00 0.02 0.00 0.00 55.36 53.76 3dfy s GLN 117 Cb 0.00 -2.13 0.13 0.00 1.00 0.00 0.00 33.01 32.01 3dfy s GLN 117 CO 0.00 0.29 1.79 0.28 -2.12 0.00 0.00 175.29 175.52 3dfy h VAL 118 N 1.82 0.96 -0.68 1.09 2.07 -1.92 -2.01 116.25 117.59 3dfy h VAL 118 Ca -0.44 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.01 3dfy h VAL 118 Cb 1.25 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 3dfy h VAL 118 CO 0.62 0.09 0.29 0.00 0.02 0.00 0.00 177.57 178.59 3dfy h TYR 120 N 0.50 0.60 -0.09 0.00 0.05 -1.81 -0.85 116.97 115.36 3dfy h TYR 120 Ca 0.34 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 3dfy h TYR 120 Cb 0.41 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 3dfy h TYR 120 CO -0.14 0.82 0.03 1.25 -1.05 0.00 0.00 178.16 179.07 3dfy h LEU 121 N 0.42 0.10 -1.12 3.88 5.85 -0.48 -0.88 115.31 123.08 3dfy h LEU 121 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3dfy h LEU 121 Cb 0.87 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3dfy h LEU 121 CO 0.07 0.10 0.00 0.18 -0.34 0.00 0.00 178.44 178.45 3dfy n LEU 122 N -4.50 1.68 0.00 2.25 4.77 -0.32 -4.91 117.00 115.97 3dfy n LEU 122 Ca -0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 3dfy n LEU 122 Cb 0.10 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3dfy n LEU 122 CO 0.35 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3dfy n GLY 123 N 1.11 1.65 4.02 -0.72 0.00 -0.34 -3.92 105.19 106.99 3dfy n GLY 123 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.40 0.18 -0.02 0.00 -0.40 -4.87 105.19 99.68 3dfy n GLY 124 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.80 0.57 -5.83 1.61 1.63 -0.91 -3.45 116.57 108.38 3dfy h LYS 125 Ca -0.60 -0.08 -0.50 0.00 -0.85 0.00 0.00 60.65 58.62 3dfy h LYS 125 Cb 1.38 -0.10 -0.17 0.00 -0.60 0.00 0.00 32.23 32.73 3dfy h LYS 125 CO 0.69 0.49 -0.77 1.03 -3.45 0.00 0.00 179.45 177.45 3dfy s ARG 126 N -5.74 1.28 -0.01 1.90 0.52 -0.18 -4.97 118.95 111.75 3dfy s ARG 126 Ca -0.13 -1.45 0.17 0.00 -0.52 0.00 0.00 55.73 53.80 3dfy s ARG 126 Cb 0.10 -1.27 -0.22 0.00 0.52 0.00 0.00 34.95 34.08 3dfy s ARG 126 CO 0.74 0.25 0.58 -0.25 0.02 0.00 0.00 175.30 176.64 3dfy n ASP 127 N 0.14 0.89 -3.76 0.23 8.00 -1.26 -4.61 116.55 116.17 3dfy n ASP 127 Ca -0.12 -0.53 -0.13 0.00 0.71 0.00 0.00 54.79 54.72 3dfy n ASP 127 Cb 0.58 1.33 -0.09 0.00 -0.02 0.00 0.00 41.12 42.92 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 -2.85 0.64 0.06 -1.24 2.12 -1.26 -3.51 118.70 112.67 3dfy s GLU 128 Ca 0.01 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 3dfy s GLU 128 Cb 0.12 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 3dfy s GLU 128 CO 0.71 -0.17 0.00 0.96 -0.54 0.00 0.00 175.26 176.22 3dfy s ILE 129 N -1.22 0.20 -0.05 -3.70 -4.36 -0.88 -5.01 121.20 106.18 3dfy s ILE 129 Ca -0.13 -1.75 0.05 0.00 -0.26 0.00 0.00 60.65 58.56 3dfy s ILE 129 Cb -0.05 -1.56 -0.01 0.00 1.25 0.00 0.00 42.46 42.09 3dfy s ILE 129 CO 0.04 -0.90 -0.20 -0.70 0.24 0.00 0.00 174.94 173.42 3dfy s GLU 130 N -3.93 2.11 0.24 0.37 2.12 -1.26 -1.56 118.70 116.79 3dfy s GLU 130 Ca 0.09 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.76 3dfy s GLU 130 Cb 0.08 -1.80 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 3dfy s GLU 130 CO -0.09 0.29 0.18 -0.08 -0.54 0.00 0.00 175.26 175.02 3dfy s THR 131 N -0.02 4.41 0.40 -1.70 -1.32 0.23 -3.80 115.64 113.84 3dfy s THR 131 Ca -0.04 -1.38 0.03 0.00 -1.21 0.00 0.00 61.69 59.08 3dfy s THR 131 Cb -0.13 -3.37 0.07 0.00 -1.51 0.00 0.00 72.50 67.57 3dfy s THR 131 CO 0.03 -0.32 0.55 -0.90 -2.21 0.00 0.00 174.62 171.77 3dfy n ASP 132 N -1.06 1.02 -3.96 8.08 5.68 -0.43 -4.73 116.55 121.15 3dfy n ASP 132 Ca -0.08 -1.80 -0.10 0.00 -0.50 0.00 0.00 54.79 52.32 3dfy n ASP 132 Cb 0.58 -0.33 -0.12 0.00 -1.14 0.00 0.00 41.12 40.11 3dfy n ASP 132 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3dfy s LYS 133 N -3.82 0.25 -0.10 0.11 2.20 -1.16 -4.49 119.74 112.74 3dfy s LYS 133 Ca 0.38 -0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.38 3dfy s LYS 133 Cb -0.03 0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 3dfy s LYS 133 CO 0.25 -0.04 0.32 0.99 -0.36 0.00 0.00 175.35 176.51 3dfy s THR 134 N -1.14 5.24 -0.45 3.43 2.01 -1.26 -1.57 115.64 121.90 3dfy s THR 134 Ca -0.12 0.62 -0.13 0.00 0.31 0.00 0.00 61.69 62.36 3dfy s THR 134 Cb -0.08 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 68.87 3dfy s THR 134 CO -0.01 0.48 0.34 -0.69 -0.69 0.00 0.00 174.62 174.06 3dfy s VAL 135 N -0.26 4.84 1.08 3.82 1.01 0.58 -4.96 120.40 126.50 3dfy s VAL 135 Ca 0.19 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 3dfy s VAL 135 Cb -0.14 -3.92 0.25 0.00 0.00 0.00 0.00 36.38 32.57 3dfy s VAL 135 CO 0.07 -0.56 1.26 -0.83 0.00 0.00 0.00 175.10 175.05 3dfy s GLY 136 N 2.43 1.73 0.13 4.51 0.00 -1.26 -2.01 107.32 112.86 3dfy s GLY 136 Ca 0.04 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.25 3dfy s GLY 136 CO 0.05 -0.35 1.13 -0.42 0.00 0.00 0.00 173.10 173.51 3dfy s ILE 137 N -3.60 3.94 0.00 0.90 1.01 -1.26 -4.74 121.20 117.45 3dfy s ILE 137 Ca 0.74 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.96 3dfy s ILE 137 Cb -0.05 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3dfy s ILE 137 CO 0.54 0.22 0.00 -0.67 0.00 0.00 0.00 174.94 175.03 3dfy n ASP 138 N 2.92 0.00 -4.77 3.58 -0.08 -1.26 -5.06 116.55 111.89 3dfy n ASP 138 Ca 0.05 -0.71 -0.34 0.00 -1.51 0.00 0.00 54.79 52.28 3dfy n ASP 138 Cb 0.46 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.96 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 -2.44 3.21 0.35 5.18 2.01 -1.26 -4.77 115.64 117.91 3dfy s THR 139 Ca 0.00 0.61 0.08 0.00 0.31 0.00 0.00 61.69 62.69 3dfy s THR 139 Cb 0.00 -3.15 0.32 0.00 0.01 0.00 0.00 72.50 69.68 3dfy s THR 139 CO 0.00 -0.30 1.86 0.58 -0.69 0.00 0.00 174.62 176.07 3dfy h VAL 140 N 0.34 0.83 0.68 3.82 2.07 -1.99 0.11 116.25 122.10 3dfy h VAL 140 Ca -0.48 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3dfy h VAL 140 Cb 1.25 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3dfy h VAL 140 CO 0.55 0.13 -0.33 -0.33 0.02 0.00 0.00 177.57 177.61 3dfy h GLU 141 N 0.71 -0.88 -0.46 1.57 5.08 -2.00 -1.41 114.58 117.19 3dfy h GLU 141 Ca 0.46 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3dfy h GLU 141 Cb 0.73 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3dfy h GLU 141 CO -0.22 -0.57 0.30 -0.91 -1.00 0.00 0.00 179.01 176.61 3dfy h ASN 142 N -0.95 0.53 0.28 1.42 2.35 -1.76 -1.43 115.58 116.02 3dfy h ASN 142 Ca -0.09 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3dfy h ASN 142 Cb 0.71 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3dfy h ASN 142 CO 0.15 0.39 -0.28 -0.09 -1.65 0.00 0.00 177.43 175.95 3dfy h ARG 143 N 0.62 -0.57 -0.42 0.81 9.65 -0.53 -0.66 114.38 123.30 3dfy h ARG 143 Ca 0.17 0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3dfy h ARG 143 Cb -0.07 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3dfy h ARG 143 CO -0.04 -0.38 0.25 0.28 2.80 0.00 0.00 179.97 182.89 3dfy h VAL 144 N -0.59 1.13 -0.21 0.20 2.07 -0.80 0.58 116.25 118.63 3dfy h VAL 144 Ca -0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3dfy h VAL 144 Cb 0.54 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3dfy h VAL 144 CO -0.06 0.13 0.05 0.07 0.02 0.00 0.00 177.57 177.78 3dfy h LYS 145 N 0.55 0.29 -0.09 1.57 2.10 -1.11 0.20 116.57 120.09 3dfy h LYS 145 Ca 0.15 -0.04 -0.12 0.00 -2.00 0.00 0.00 60.65 58.64 3dfy h LYS 145 Cb -0.01 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.27 3dfy h LYS 145 CO -0.03 0.28 -0.42 1.49 -2.00 0.00 0.00 179.45 178.77 3dfy h GLU 146 N 0.29 0.45 -0.80 0.07 4.81 -0.55 -1.77 114.58 117.08 3dfy h GLU 146 Ca 0.07 -0.36 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 3dfy h GLU 146 Cb 0.12 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3dfy h GLU 146 CO -0.00 0.99 0.52 0.00 -0.73 0.00 0.00 179.01 179.79 3dfy h ALA 147 N 0.46 1.03 -0.33 2.92 0.00 -0.17 -0.48 119.26 122.70 3dfy h ALA 147 Ca -0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3dfy h ALA 147 Cb 1.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3dfy h ALA 147 CO 0.09 0.38 -0.22 -0.22 0.00 0.00 0.00 179.25 179.28 3dfy h LYS 148 N 1.04 0.63 0.20 0.00 3.64 -0.61 -1.08 116.57 120.39 3dfy h LYS 148 Ca 0.31 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3dfy h LYS 148 Cb -0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3dfy h LYS 148 CO -0.09 0.80 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.58 3dfy h LYS 149 N 0.56 -0.26 -0.74 1.90 3.64 -0.65 -1.87 116.57 119.14 3dfy h LYS 149 Ca 0.08 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3dfy h LYS 149 Cb 0.68 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 3dfy h LYS 149 CO 0.05 0.03 0.38 0.82 -2.27 0.00 0.00 179.45 178.45 3dfy h ILE 150 N -0.53 0.84 -0.10 2.00 2.04 -1.02 -0.99 117.51 119.75 3dfy h ILE 150 Ca -0.03 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3dfy h ILE 150 Cb 0.40 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3dfy h ILE 150 CO 0.04 0.11 0.03 0.15 0.00 0.00 0.00 178.15 178.49 3dfy h PHE 151 N 0.63 0.05 -0.31 1.37 3.57 -1.10 -1.94 116.94 119.21 3dfy h PHE 151 Ca 0.37 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.91 3dfy h PHE 151 Cb 0.40 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3dfy h PHE 151 CO -0.10 0.03 0.21 1.49 -2.23 0.00 0.00 178.31 177.71 3dfy h GLU 152 N 0.08 0.25 0.00 1.11 4.81 -0.46 -0.33 114.58 120.04 3dfy h GLU 152 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3dfy h GLU 152 Cb 0.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3dfy h GLU 152 CO -0.04 0.17 0.00 0.39 -0.73 0.00 0.00 179.01 178.79 3dfy n GLU 153 N -4.49 0.31 0.00 1.92 1.02 -0.46 -4.86 120.64 114.08 3dfy n GLU 153 Ca 0.03 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3dfy n GLU 153 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.29 0.62 3.71 0.62 0.00 -0.13 -4.71 105.19 105.58 3dfy n GLY 154 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 3.52 -0.89 1.61 0.08 -1.10 -4.72 117.98 114.49 3dfy s PHE 155 Ca 0.00 1.49 0.08 0.00 0.12 0.00 0.00 56.93 58.62 3dfy s PHE 155 Cb 0.00 -3.27 0.15 0.00 -0.57 0.00 0.00 43.02 39.33 3dfy s PHE 155 CO 0.00 -0.66 0.98 0.54 -0.10 0.00 0.00 175.22 175.98 3dfy n ARG 156 N 4.05 1.53 -3.84 0.44 5.12 -1.26 -4.44 116.66 118.26 3dfy n ARG 156 Ca 0.08 -1.46 -0.26 0.00 -1.93 0.00 0.00 57.85 54.27 3dfy n ARG 156 Cb 0.49 -1.19 -0.17 0.00 -1.16 0.00 0.00 32.46 30.43 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 -0.85 0.82 -0.17 1.55 1.01 -1.26 -0.04 120.40 121.45 3dfy s VAL 157 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 3dfy s VAL 157 Cb 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3dfy s VAL 157 CO 0.11 0.19 -0.14 -0.63 0.00 0.00 0.00 175.10 174.63 3dfy s ILE 158 N 1.77 2.69 -0.22 2.22 1.01 0.10 -2.96 121.20 125.82 3dfy s ILE 158 Ca 0.03 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 3dfy s ILE 158 Cb -0.14 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3dfy s ILE 158 CO -0.07 0.50 0.52 -0.75 0.00 0.00 0.00 174.94 175.14 3dfy s LYS 159 N 1.01 4.16 -0.19 2.79 2.20 -0.61 -1.66 119.74 127.43 3dfy s LYS 159 Ca -0.02 0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.94 3dfy s LYS 159 Cb -0.15 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 3dfy s LYS 159 CO -0.03 -0.20 -0.02 0.42 -0.36 0.00 0.00 175.35 175.16 3dfy s ILE 160 N 1.82 3.78 -0.04 5.43 1.01 0.11 -0.31 121.20 132.99 3dfy s ILE 160 Ca 0.23 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 3dfy s ILE 160 Cb -0.15 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3dfy s ILE 160 CO 0.09 0.44 0.56 -0.54 0.00 0.00 0.00 174.94 175.50 3dfy s LYS 161 N 0.95 4.32 0.00 2.79 1.02 -0.85 -1.27 119.74 126.69 3dfy s LYS 161 Ca 0.01 0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.65 3dfy s LYS 161 Cb -0.14 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 3dfy s LYS 161 CO 0.01 0.29 0.00 1.33 -0.92 0.00 0.00 175.35 176.06 3dfy n VAL 162 N 3.08 0.00 0.00 3.17 0.24 -0.68 -4.48 118.33 119.65 3dfy n VAL 162 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3dfy n VAL 162 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 0.00 1.32 0.09 7.63 0.00 -1.26 -4.23 105.19 108.74 3dfy n GLY 163 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.59 0.67 -3.43 1.61 1.02 -1.26 -4.34 120.64 114.32 3dfy n GLU 164 Ca 0.00 0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.97 3dfy n GLU 164 Cb 0.00 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 29.72 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 -5.54 2.16 0.17 1.62 3.84 -1.26 -5.04 114.94 110.89 3dfy s ASN 165 Ca -0.08 -1.32 -0.27 0.00 0.21 0.00 0.00 52.86 51.39 3dfy s ASN 165 Cb 0.07 0.19 0.02 0.00 -0.55 0.00 0.00 41.25 40.98 3dfy s ASN 165 CO 0.83 -0.35 1.56 0.25 -2.79 0.00 0.00 177.10 176.60 3dfy h LEU 166 N 7.77 -1.65 -0.29 3.21 5.85 -1.98 0.46 115.31 128.67 3dfy h LEU 166 Ca -0.07 0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.98 3dfy h LEU 166 Cb 1.04 0.74 -0.06 0.00 0.37 0.00 0.00 40.66 42.76 3dfy h LEU 166 CO 0.31 -0.33 -0.08 0.50 -0.34 0.00 0.00 178.44 178.51 3dfy h LYS 167 N -0.20 -0.01 -0.02 1.25 3.64 -2.00 -1.55 116.57 117.68 3dfy h LYS 167 Ca 0.18 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3dfy h LYS 167 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3dfy h LYS 167 CO -0.74 -0.00 -0.54 0.93 -2.27 0.00 0.00 179.45 176.83 3dfy h GLU 168 N -0.01 0.04 -0.52 1.90 5.08 -1.80 -2.86 114.58 116.41 3dfy h GLU 168 Ca 0.14 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3dfy h GLU 168 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3dfy h GLU 168 CO -0.30 0.57 0.18 -0.44 -1.00 0.00 0.00 179.01 178.02 3dfy h ASP 169 N 0.03 0.74 -0.64 1.42 3.32 0.52 0.16 116.42 121.97 3dfy h ASP 169 Ca -0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3dfy h ASP 169 Cb 0.96 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 3dfy h ASP 169 CO 0.07 0.74 0.35 0.40 -1.72 0.00 0.00 179.24 179.08 3dfy h ILE 170 N 0.71 1.20 -0.37 0.35 2.04 -1.23 -1.73 117.51 118.48 3dfy h ILE 170 Ca 0.17 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3dfy h ILE 170 Cb 0.25 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3dfy h ILE 170 CO -0.01 0.22 0.14 -0.08 0.00 0.00 0.00 178.15 178.42 3dfy h GLU 171 N 0.88 0.56 -0.47 2.37 4.81 -1.25 -2.47 114.58 119.00 3dfy h GLU 171 Ca 0.23 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3dfy h GLU 171 Cb 0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3dfy h GLU 171 CO -0.04 0.55 0.29 0.00 -0.73 0.00 0.00 179.01 179.09 3dfy h ALA 172 N 0.98 0.60 -0.35 2.92 0.00 -0.36 -1.23 119.26 121.82 3dfy h ALA 172 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dfy h ALA 172 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dfy h ALA 172 CO -0.01 -0.00 0.16 0.28 0.00 0.00 0.00 179.25 179.68 3dfy h VAL 173 N 0.59 1.17 -0.31 0.00 2.07 -1.25 -0.54 116.25 117.98 3dfy h VAL 173 Ca 0.18 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3dfy h VAL 173 Cb -0.01 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3dfy h VAL 173 CO -0.07 0.18 0.16 -0.08 0.02 0.00 0.00 177.57 177.79 3dfy h GLU 174 N 0.42 0.33 -0.43 1.57 4.81 -1.14 0.40 114.58 120.54 3dfy h GLU 174 Ca 0.12 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3dfy h GLU 174 Cb 0.14 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3dfy h GLU 174 CO -0.01 0.22 0.05 0.93 -0.73 0.00 0.00 179.01 179.47 3dfy h GLU 175 N 0.34 0.67 -0.21 1.92 4.39 -1.07 -1.85 114.58 118.77 3dfy h GLU 175 Ca 0.13 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 3dfy h GLU 175 Cb 0.03 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3dfy h GLU 175 CO -0.08 0.65 -0.45 0.82 -1.16 0.00 0.00 179.01 178.80 3dfy h ILE 176 N 0.65 1.31 -0.39 3.13 2.04 -0.56 -3.00 117.51 120.69 3dfy h ILE 176 Ca 0.14 -1.64 -0.09 0.00 1.00 0.00 0.00 64.86 64.27 3dfy h ILE 176 Cb 0.32 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3dfy h ILE 176 CO 0.01 0.51 -0.14 0.00 0.00 0.00 0.00 178.15 178.53 3dfy h ALA 177 N 1.09 1.03 -0.65 1.87 0.00 -0.41 -2.92 119.26 119.26 3dfy h ALA 177 Ca 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3dfy h ALA 177 Cb 0.95 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3dfy h ALA 177 CO 0.08 0.59 0.35 0.87 0.00 0.00 0.00 179.25 181.14 3dfy h LYS 178 N 0.64 0.63 -0.65 0.00 1.57 -1.20 -2.91 116.57 114.64 3dfy h LYS 178 Ca 0.11 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3dfy h LYS 178 Cb 0.60 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 3dfy h LYS 178 CO 0.04 0.42 0.13 1.33 -0.57 0.00 0.00 179.45 180.80 3dfy n VAL 179 N -4.81 2.86 -2.25 0.50 0.24 -1.17 -4.32 118.33 109.38 3dfy n VAL 179 Ca 0.08 -1.54 0.01 0.00 -2.04 0.00 0.00 64.34 60.85 3dfy n VAL 179 Cb 0.17 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 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 0.22 0.00 -1.64 3.34 -2.24 -1.11 -4.64 114.28 108.21 3dfy n THR 180 Ca 0.34 -0.50 -0.51 0.00 -2.27 0.00 0.00 64.05 61.12 3dfy n THR 180 Cb 1.29 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 70.18 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 0.25 1.54 0.00 -0.78 1.74 -1.19 -1.66 116.66 116.57 3dfy n ARG 181 Ca -0.00 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 3dfy n ARG 181 Cb 0.91 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 3.21 1.22 3.96 -0.13 0.00 -1.26 -5.10 105.19 107.10 3dfy n GLY 182 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 3.91 0.16 4.61 0.00 -0.66 -4.97 121.76 122.74 3dfy s ALA 183 Ca 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.84 3dfy s ALA 183 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3dfy s ALA 183 CO 0.00 0.26 0.19 0.15 0.00 0.00 0.00 175.76 176.36 3dfy s LYS 184 N -3.90 3.10 -0.03 0.00 1.02 0.94 -4.97 119.74 115.90 3dfy s LYS 184 Ca 0.35 -0.78 0.06 0.00 0.02 0.00 0.00 55.97 55.62 3dfy s LYS 184 Cb -0.09 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3dfy s LYS 184 CO 0.30 0.49 -0.21 0.71 -0.92 0.00 0.00 175.35 175.72 3dfy s TYR 185 N -1.77 1.94 -0.19 3.18 2.02 -1.26 -0.72 117.35 120.55 3dfy s TYR 185 Ca 0.32 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3dfy s TYR 185 Cb -0.10 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 3dfy s TYR 185 CO 0.25 -0.09 -0.16 0.42 -1.57 0.00 0.00 175.55 174.41 3dfy s ILE 186 N -0.34 2.37 -0.22 2.71 1.01 -0.66 -0.39 121.20 125.68 3dfy s ILE 186 Ca 0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 3dfy s ILE 186 Cb -0.10 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 3dfy s ILE 186 CO 0.00 0.49 0.03 -0.69 0.00 0.00 0.00 174.94 174.77 3dfy s VAL 187 N 1.33 4.09 -0.34 2.92 1.01 -0.18 0.04 120.40 129.26 3dfy s VAL 187 Ca 0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3dfy s VAL 187 Cb -0.14 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.41 3dfy s VAL 187 CO -0.10 0.39 0.11 -0.62 0.00 0.00 0.00 175.10 174.88 3dfy s ASP 188 N 1.29 5.31 0.00 3.32 -1.08 -0.40 0.27 116.67 125.38 3dfy s ASP 188 Ca 0.04 -1.20 0.29 0.00 -0.52 0.00 0.00 52.55 51.16 3dfy s ASP 188 Cb -0.15 -1.87 1.26 0.00 -1.46 0.00 0.00 42.92 40.71 3dfy s ASP 188 CO 0.02 -0.34 1.87 0.00 0.52 0.00 0.00 175.17 177.23 3dfy n ALA 189 N 4.80 2.72 -4.19 3.66 0.00 -0.91 -1.69 120.51 124.90 3dfy n ALA 189 Ca -0.12 -0.32 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 3dfy n ALA 189 Cb 0.44 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.57 -0.45 -1.39 0.00 4.13 -1.18 -1.47 115.26 114.32 3dfy n ASN 190 Ca 0.18 -1.23 -0.18 0.00 1.68 0.00 0.00 54.58 55.02 3dfy n ASN 190 Cb 0.28 -1.90 -0.08 0.00 -1.54 0.00 0.00 39.78 36.53 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 -4.64 -1.52 0.14 3.52 2.81 -0.03 -4.89 117.12 112.51 3dfy n MET 191 Ca -0.28 1.14 0.12 0.00 -1.81 0.00 0.00 57.70 56.88 3dfy n MET 191 Cb 0.67 -5.54 0.22 0.00 -0.71 0.00 0.00 33.22 27.86 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 -4.05 3.03 0.00 -1.17 -3.37 103.07 97.52 3dfy h GLY 192 Ca -0.37 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.38 3dfy h GLY 192 CO 0.54 0.00 -0.54 -0.19 0.00 0.00 0.00 176.54 176.36 3dfy s TYR 193 N -3.19 3.27 0.73 5.60 2.02 -0.30 -4.84 117.35 120.64 3dfy s TYR 193 Ca 0.07 0.05 -0.11 0.00 -0.37 0.00 0.00 57.07 56.70 3dfy s TYR 193 Cb 0.09 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 3dfy s TYR 193 CO 0.67 0.52 1.10 0.95 -1.57 0.00 0.00 175.55 177.23 3dfy s THR 194 N -1.69 3.32 0.36 -0.71 -4.23 -1.26 -4.15 115.64 107.28 3dfy s THR 194 Ca 0.32 0.43 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 3dfy s THR 194 Cb -0.11 -3.38 0.19 0.00 1.34 0.00 0.00 72.50 70.54 3dfy s THR 194 CO 0.25 -0.56 1.93 0.06 -0.54 0.00 0.00 174.62 175.76 3dfy h GLN 195 N -0.76 0.51 -0.63 3.99 3.07 -1.93 -0.58 115.11 118.79 3dfy h GLN 195 Ca -0.45 -0.09 -0.09 0.00 0.09 0.00 0.00 58.65 58.11 3dfy h GLN 195 Cb 1.26 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 28.71 3dfy h GLN 195 CO 0.63 0.49 0.05 0.87 0.09 0.00 0.00 178.83 180.96 3dfy h LYS 196 N 0.50 1.08 -0.43 0.06 1.79 -1.97 -1.98 116.57 115.62 3dfy h LYS 196 Ca 0.12 -0.32 -0.11 0.00 -2.18 0.00 0.00 60.65 58.16 3dfy h LYS 196 Cb 0.22 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3dfy h LYS 196 CO -0.00 1.03 -0.15 0.93 -1.08 0.00 0.00 179.45 180.18 3dfy h GLU 197 N 0.99 0.87 -0.96 3.15 5.08 -1.79 -1.87 114.58 120.04 3dfy h GLU 197 Ca 0.18 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3dfy h GLU 197 Cb 0.51 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3dfy h GLU 197 CO 0.02 0.99 0.62 0.00 -1.00 0.00 0.00 179.01 179.65 3dfy h ALA 198 N 0.85 1.28 -0.24 3.43 0.00 -0.94 0.99 119.26 124.62 3dfy h ALA 198 Ca 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 198 Cb 0.70 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3dfy h ALA 198 CO 0.05 0.65 -0.04 0.28 0.00 0.00 0.00 179.25 180.19 3dfy h VAL 199 N 1.31 1.28 -0.97 0.00 2.07 -1.22 -2.70 116.25 116.02 3dfy h VAL 199 Ca 0.35 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3dfy h VAL 199 Cb -0.12 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3dfy h VAL 199 CO -0.07 0.31 0.64 -0.08 0.02 0.00 0.00 177.57 178.40 3dfy h GLU 200 N 0.20 1.28 -0.04 1.57 4.57 -0.83 -1.21 114.58 120.11 3dfy h GLU 200 Ca 0.06 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3dfy h GLU 200 Cb 0.49 -0.29 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3dfy h GLU 200 CO 0.02 0.84 -0.07 0.35 -1.18 0.00 0.00 179.01 178.97 3dfy h PHE 201 N 1.31 -0.18 -0.54 0.92 3.57 -0.71 -0.48 116.94 120.83 3dfy h PHE 201 Ca 0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3dfy h PHE 201 Cb -0.15 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3dfy h PHE 201 CO -0.00 -0.12 0.31 0.00 -2.23 0.00 0.00 178.31 176.27 3dfy h ALA 202 N 0.92 0.69 -0.64 2.41 0.00 -1.13 -2.16 119.26 119.35 3dfy h ALA 202 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3dfy h ALA 202 Cb 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3dfy h ALA 202 CO -0.11 0.19 0.19 0.00 0.00 0.00 0.00 179.25 179.53 3dfy h ARG 203 N 0.72 0.99 -0.34 0.00 3.08 -1.02 -0.19 114.38 117.63 3dfy h ARG 203 Ca 0.19 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3dfy h ARG 203 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3dfy h ARG 203 CO -0.03 0.88 0.15 0.00 -1.07 0.00 0.00 179.97 179.89 3dfy h ALA 204 N 1.07 0.44 -0.74 0.04 0.00 -0.93 -0.14 119.26 118.99 3dfy h ALA 204 Ca 0.20 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dfy h ALA 204 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3dfy h ALA 204 CO -0.01 0.02 0.21 0.28 0.00 0.00 0.00 179.25 179.76 3dfy h VAL 205 N 0.40 1.26 -0.68 0.00 2.07 -1.27 -2.81 116.25 115.22 3dfy h VAL 205 Ca 0.11 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3dfy h VAL 205 Cb 0.15 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3dfy h VAL 205 CO -0.01 0.37 0.23 0.22 0.02 0.00 0.00 177.57 178.39 3dfy h TYR 206 N 1.10 1.08 0.00 1.57 3.20 -0.70 -2.09 116.97 121.14 3dfy h TYR 206 Ca 0.24 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3dfy h TYR 206 Cb 0.33 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3dfy h TYR 206 CO 0.03 0.86 0.00 1.04 -1.64 0.00 0.00 178.16 178.45 3dfy n GLN 207 N -4.34 0.15 -0.28 1.82 1.13 -0.10 -1.39 117.38 114.38 3dfy n GLN 207 Ca 0.05 0.46 0.08 0.00 -1.94 0.00 0.00 57.00 55.65 3dfy n GLN 207 Cb 0.21 -1.84 0.23 0.00 0.11 0.00 0.00 30.24 28.95 3dfy n GLN 207 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3dfy n LYS 208 N -2.13 2.27 -0.96 -1.09 5.02 -0.81 -4.90 118.16 115.56 3dfy n LYS 208 Ca 0.01 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 3dfy n LYS 208 Cb 0.17 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.29 0.50 3.78 0.72 0.00 -0.48 -5.00 105.19 105.99 3dfy n GLY 209 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.22 4.78 -0.13 -0.61 1.01 -1.07 -5.04 121.20 117.92 3dfy s ILE 210 Ca 0.00 1.32 -0.03 0.00 0.00 0.00 0.00 60.65 61.94 3dfy s ILE 210 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3dfy s ILE 210 CO 0.00 0.47 -0.03 -0.62 0.00 0.00 0.00 174.94 174.76 3dfy s ASP 211 N -0.58 4.91 -0.25 3.58 3.68 -1.26 -4.09 116.67 122.65 3dfy s ASP 211 Ca 0.31 -0.04 -0.04 0.00 2.13 0.00 0.00 52.55 54.92 3dfy s ASP 211 Cb -0.19 -1.61 0.01 0.00 -1.45 0.00 0.00 42.92 39.67 3dfy s ASP 211 CO 0.19 0.25 -0.02 -0.63 0.13 0.00 0.00 175.17 175.10 3dfy s ILE 212 N -0.13 3.33 0.22 4.11 1.01 -1.26 -4.36 121.20 124.12 3dfy s ILE 212 Ca 0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3dfy s ILE 212 Cb -0.13 -2.64 0.13 0.00 0.01 0.00 0.00 42.46 39.84 3dfy s ILE 212 CO 0.02 0.25 1.75 0.00 0.00 0.00 0.00 174.94 176.96 3dfy h ALA 213 N 8.10 1.02 -2.89 9.38 0.00 -1.10 -3.39 119.26 130.40 3dfy h ALA 213 Ca -0.36 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 3dfy h ALA 213 Cb 1.13 -0.26 -0.30 0.00 0.00 0.00 0.00 17.79 18.36 3dfy h ALA 213 CO 0.59 0.64 -0.47 0.08 0.00 0.00 0.00 179.25 180.09 3dfy s VAL 214 N -5.30 -0.20 -0.47 0.00 1.01 -1.22 -4.37 120.40 109.84 3dfy s VAL 214 Ca -0.11 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 3dfy s VAL 214 Cb 0.15 -0.45 0.12 0.00 0.00 0.00 0.00 36.38 36.20 3dfy s VAL 214 CO 0.84 0.08 0.36 -0.47 0.00 0.00 0.00 175.10 175.90 3dfy s TYR 215 N 1.76 3.39 -0.02 5.22 5.04 0.76 -1.01 117.35 132.50 3dfy s TYR 215 Ca -0.05 -1.75 -0.25 0.00 -2.44 0.00 0.00 57.07 52.58 3dfy s TYR 215 Cb -0.11 -3.48 -0.04 0.00 0.35 0.00 0.00 41.96 38.68 3dfy s TYR 215 CO -0.09 -0.98 0.78 -2.00 -1.34 0.00 0.00 175.55 171.91 3dfy s GLU 216 N 1.40 4.48 -0.04 4.97 2.12 0.14 -0.38 118.70 131.39 3dfy s GLU 216 Ca 0.05 1.05 -0.01 0.00 0.36 0.00 0.00 54.97 56.42 3dfy s GLU 216 Cb -0.26 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3dfy s GLU 216 CO 0.00 0.12 0.03 0.94 -0.54 0.00 0.00 175.26 175.81 3dfy n GLN 217 N 3.47 -0.09 0.16 4.30 -0.06 0.67 -2.14 117.38 123.69 3dfy n GLN 217 Ca -0.00 0.05 0.03 0.00 -2.00 0.00 0.00 57.00 55.08 3dfy n GLN 217 Cb 0.51 -0.11 0.18 0.00 -4.06 0.00 0.00 30.24 26.76 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 0.66 0.00 -5.96 3.69 0.13 -1.84 -0.01 132.00 128.66 3dfy h PRO 218 Ca -0.03 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.52 3dfy h PRO 218 Cb 0.08 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.16 3dfy h PRO 218 CO 0.02 0.49 -0.32 0.14 -0.23 0.00 0.00 178.00 178.10 3dfy s VAL 219 N -3.31 1.78 0.69 1.56 -7.23 -1.26 -1.15 120.40 111.49 3dfy s VAL 219 Ca 0.01 -1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 3dfy s VAL 219 Cb 0.10 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.79 3dfy s VAL 219 CO 0.72 0.00 1.26 -0.13 -0.31 0.00 0.00 175.10 176.64 3dfy s ARG 220 N -4.25 2.30 0.41 4.82 0.52 -1.26 -4.06 118.95 117.44 3dfy s ARG 220 Ca 0.36 1.94 0.12 0.00 -0.52 0.00 0.00 55.73 57.63 3dfy s ARG 220 Cb -0.02 -1.83 0.96 0.00 0.52 0.00 0.00 34.95 34.58 3dfy s ARG 220 CO 0.22 -1.76 1.97 0.07 0.02 0.00 0.00 175.30 175.82 3dfy h ARG 221 N 0.12 0.48 -0.00 3.54 0.11 -1.93 -1.48 114.38 115.21 3dfy h ARG 221 Ca -0.49 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3dfy h ARG 221 Cb 1.32 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3dfy h ARG 221 CO 0.51 0.32 -0.24 0.39 0.10 0.00 0.00 179.97 181.05 3dfy n GLU 222 N -4.48 0.49 -2.12 0.08 -0.58 -1.26 -4.46 120.64 108.31 3dfy n GLU 222 Ca 0.11 -0.23 -0.42 0.00 -0.42 0.00 0.00 57.16 56.20 3dfy n GLU 222 Cb 0.36 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 -1.06 5.13 -0.03 1.62 2.03 -0.56 -4.70 116.55 118.99 3dfy n ASP 223 Ca 0.11 -3.03 -0.02 0.00 0.52 0.00 0.00 54.79 52.37 3dfy n ASP 223 Cb 0.32 -1.52 0.24 0.00 -0.72 0.00 0.00 41.12 39.44 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 3.69 1.23 -0.56 5.18 1.08 -1.82 -1.95 117.51 124.36 3dfy h ILE 224 Ca 0.48 -0.96 -0.08 0.00 -0.39 0.00 0.00 64.86 63.91 3dfy h ILE 224 Cb 0.59 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 3dfy h ILE 224 CO 1.69 0.32 0.04 -0.33 -0.69 0.00 0.00 178.15 179.18 3dfy h GLU 225 N 0.55 0.92 -0.58 2.37 4.39 -1.98 -2.23 114.58 118.02 3dfy h GLU 225 Ca 0.11 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 3dfy h GLU 225 Cb 0.45 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3dfy h GLU 225 CO 0.02 0.89 -0.02 0.78 -1.16 0.00 0.00 179.01 179.52 3dfy h GLY 226 N 1.00 1.13 0.96 -3.84 0.00 -1.81 -0.38 103.07 100.14 3dfy h GLY 226 Ca 0.17 -0.85 0.01 0.00 0.00 0.00 0.00 47.33 46.65 3dfy h GLY 226 CO 0.02 0.78 0.14 1.41 0.00 0.00 0.00 176.54 178.89 3dfy h LEU 227 N 0.94 0.23 -1.13 3.11 3.38 -1.14 0.07 115.31 120.78 3dfy h LEU 227 Ca 0.16 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3dfy h LEU 227 Cb 0.58 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3dfy h LEU 227 CO 0.03 0.17 0.34 0.50 0.09 0.00 0.00 178.44 179.57 3dfy h LYS 228 N 0.29 0.95 -0.38 1.13 3.64 -1.18 0.20 116.57 121.22 3dfy h LYS 228 Ca 0.09 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3dfy h LYS 228 Cb -0.01 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3dfy h LYS 228 CO -0.04 0.72 0.07 0.35 -2.27 0.00 0.00 179.45 178.28 3dfy h PHE 229 N 0.95 0.66 -0.37 1.91 3.57 -0.49 -1.79 116.94 121.38 3dfy h PHE 229 Ca 0.24 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3dfy h PHE 229 Cb 0.08 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3dfy h PHE 229 CO 0.01 0.66 -0.01 0.28 -2.23 0.00 0.00 178.31 177.02 3dfy h VAL 230 N 0.47 1.26 -0.96 1.41 2.07 -0.47 -2.73 116.25 117.31 3dfy h VAL 230 Ca 0.12 -1.01 0.12 0.00 0.82 0.00 0.00 66.70 66.74 3dfy h VAL 230 Cb 0.35 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 3dfy h VAL 230 CO 0.01 0.34 0.58 -0.09 0.02 0.00 0.00 177.57 178.43 3dfy h ARG 231 N 0.47 0.89 -0.36 1.57 2.43 -0.49 0.27 114.38 119.16 3dfy h ARG 231 Ca 0.10 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3dfy h ARG 231 Cb 0.48 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3dfy h ARG 231 CO 0.02 0.59 0.00 0.35 -1.51 0.00 0.00 179.97 179.43 3dfy h PHE 232 N 0.92 0.70 0.00 2.20 3.57 -1.08 -3.30 116.94 119.94 3dfy h PHE 232 Ca 0.48 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 3dfy h PHE 232 Cb 0.49 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3dfy h PHE 232 CO -0.02 0.74 -1.20 0.45 -2.23 0.00 0.00 178.31 176.04 3dfy h HIS 233 N 0.46 0.00 -3.51 0.41 3.86 -1.18 -3.47 115.15 111.72 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 0.46 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.94 3dfy h HIS 233 CO 0.04 0.36 0.55 0.45 0.86 0.00 0.00 177.93 180.19 3dfy s SER 234 N -5.67 7.10 0.00 2.45 0.15 0.92 -4.91 113.70 113.74 3dfy s SER 234 Ca -0.02 2.23 0.28 0.00 0.70 0.00 0.00 55.95 59.15 3dfy s SER 234 Cb 0.09 -2.61 1.13 0.00 -1.71 0.00 0.00 66.02 62.92 3dfy s SER 234 CO 0.80 -0.36 1.82 -0.81 1.20 0.00 0.00 173.24 175.89 3dfy n PRO 235 N 2.41 0.43 -4.11 5.44 -0.04 -1.26 -4.82 135.00 133.06 3dfy n PRO 235 Ca 0.04 -0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 3dfy n PRO 235 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.67 3.06 0.11 0.54 0.08 -1.26 -5.03 117.98 112.82 3dfy s PHE 236 Ca 0.23 -0.02 -0.31 0.00 0.12 0.00 0.00 56.93 56.96 3dfy s PHE 236 Cb 0.19 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 41.03 3dfy s PHE 236 CO 0.52 0.51 1.62 -2.14 -0.10 0.00 0.00 175.22 175.63 3dfy s PRO 237 N -2.66 4.20 -0.08 0.24 0.02 -1.26 -4.84 135.00 130.61 3dfy s PRO 237 Ca 0.28 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.52 3dfy s PRO 237 Cb -0.11 -3.41 -0.05 0.00 0.02 0.00 0.00 34.50 30.95 3dfy s PRO 237 CO 0.21 -0.68 0.33 0.08 -0.33 0.00 0.00 177.00 176.61 3dfy s VAL 238 N 2.02 5.21 0.12 3.83 1.01 -1.26 -0.17 120.40 131.16 3dfy s VAL 238 Ca 0.72 0.65 0.10 0.00 0.00 0.00 0.00 61.98 63.46 3dfy s VAL 238 Cb -0.42 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3dfy s VAL 238 CO 0.32 0.50 -0.25 0.00 0.00 0.00 0.00 175.10 175.67 3dfy s ALA 239 N -0.41 2.44 -0.15 5.51 0.00 0.48 -0.41 121.76 129.22 3dfy s ALA 239 Ca 0.20 -1.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 3dfy s ALA 239 Cb -0.15 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3dfy s ALA 239 CO 0.08 0.55 0.05 0.00 0.00 0.00 0.00 175.76 176.45 3dfy s ALA 240 N -1.06 3.42 0.00 0.00 0.00 -0.02 -0.24 121.76 123.86 3dfy s ALA 240 Ca 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3dfy s ALA 240 Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3dfy s ALA 240 CO 0.07 0.33 0.00 -3.47 0.00 0.00 0.00 175.76 172.69 3dfy n ASP 241 N 3.02 0.00 0.31 0.00 -0.08 -1.26 -0.26 116.55 118.29 3dfy n ASP 241 Ca -0.18 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.30 3dfy n ASP 241 Cb 0.53 0.00 1.06 0.00 2.34 0.00 0.00 41.12 45.05 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 -1.94 0.19 114.58 115.23 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 -0.11 0.43 -1.40 0.00 0.00 179.01 177.93 3dfy n SER 243 N -3.42 0.24 -3.97 1.42 7.64 -1.26 -4.46 113.62 109.81 3dfy n SER 243 Ca -0.03 0.37 -0.31 0.00 1.01 0.00 0.00 58.87 59.92 3dfy n SER 243 Cb 0.11 -0.39 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.02 3.57 -0.21 -0.43 0.00 0.68 -4.72 121.76 117.62 3dfy s ALA 244 Ca 0.13 -3.48 -0.06 0.00 0.00 0.00 0.00 51.96 48.55 3dfy s ALA 244 Cb 0.17 -2.30 -0.11 0.00 0.00 0.00 0.00 23.12 20.89 3dfy s ALA 244 CO 0.58 -2.07 -0.24 0.54 0.00 0.00 0.00 175.76 174.57 3dfy n ARG 245 N 2.78 0.48 -4.25 0.00 1.74 -1.26 -4.85 116.66 111.31 3dfy n ARG 245 Ca 0.11 0.17 -0.24 0.00 -0.77 0.00 0.00 57.85 57.11 3dfy n ARG 245 Cb 0.34 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 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 -2.40 2.66 0.55 0.55 -4.23 -1.26 -3.42 115.64 108.09 3dfy s THR 246 Ca -0.29 -1.86 0.27 0.00 -1.18 0.00 0.00 61.69 58.63 3dfy s THR 246 Cb 0.10 -2.88 0.33 0.00 1.34 0.00 0.00 72.50 71.38 3dfy s THR 246 CO 0.42 -0.16 2.21 0.07 -0.54 0.00 0.00 174.62 176.63 3dfy h LYS 247 N 1.68 0.00 -0.16 3.99 2.10 -1.94 -1.03 116.57 121.20 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 0.67 0.02 -0.64 0.74 -2.00 0.00 0.00 179.45 178.24 3dfy h PHE 248 N 0.00 0.78 -0.70 0.07 0.04 -1.96 -1.89 116.94 113.27 3dfy h PHE 248 Ca -0.00 -0.31 -0.06 0.00 2.80 0.00 0.00 57.97 60.40 3dfy h PHE 248 Cb 0.05 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3dfy h PHE 248 CO 0.00 1.08 0.20 -0.44 -0.60 0.00 0.00 178.31 178.56 3dfy h ASP 249 N 0.44 1.04 -0.43 2.17 3.32 -1.53 -2.23 116.42 119.20 3dfy h ASP 249 Ca -0.01 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 3dfy h ASP 249 Cb 1.22 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3dfy h ASP 249 CO 0.12 0.98 -0.12 0.58 -1.72 0.00 0.00 179.24 179.09 3dfy h VAL 250 N 1.05 1.26 -0.57 -1.35 2.07 -1.32 -0.69 116.25 116.69 3dfy h VAL 250 Ca 0.23 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3dfy h VAL 250 Cb 0.33 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3dfy h VAL 250 CO -0.00 0.43 0.20 -0.03 0.02 0.00 0.00 177.57 178.18 3dfy h MET 251 N 0.80 0.84 -0.20 1.57 1.85 -1.17 0.24 114.93 118.87 3dfy h MET 251 Ca 0.13 -0.14 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 3dfy h MET 251 Cb 0.65 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 3dfy h MET 251 CO 0.04 0.72 -0.02 -0.09 -0.40 0.00 0.00 176.91 177.16 3dfy h ARG 252 N 0.83 0.37 -0.79 0.39 2.43 -1.00 -0.86 114.38 115.75 3dfy h ARG 252 Ca 0.19 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3dfy h ARG 252 Cb 0.21 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 3dfy h ARG 252 CO -0.01 0.58 0.48 -0.07 -1.51 0.00 0.00 179.97 179.44 3dfy h LEU 253 N 0.11 0.73 -0.48 3.80 3.38 -0.59 -0.16 115.31 122.10 3dfy h LEU 253 Ca 0.06 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3dfy h LEU 253 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dfy h LEU 253 CO 0.01 0.47 -0.13 0.58 0.09 0.00 0.00 178.44 179.46 3dfy h VAL 254 N 0.86 1.27 -0.03 1.22 2.07 -0.82 -0.94 116.25 119.88 3dfy h VAL 254 Ca 0.35 -1.27 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 3dfy h VAL 254 Cb 0.19 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3dfy h VAL 254 CO -0.18 0.44 -0.32 0.11 0.02 0.00 0.00 177.57 177.64 3dfy h LYS 255 N 0.80 0.06 -0.06 1.57 1.57 -0.55 -2.36 116.57 117.60 3dfy h LYS 255 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3dfy h LYS 255 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3dfy h LYS 255 CO 0.05 0.38 0.00 0.39 -0.57 0.00 0.00 179.45 179.70 3dfy n GLU 256 N -4.14 1.91 -3.89 3.15 -0.58 -0.13 -4.95 120.64 112.02 3dfy n GLU 256 Ca -0.02 -1.33 -0.26 0.00 -0.42 0.00 0.00 57.16 55.14 3dfy n GLU 256 Cb 0.38 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.60 -3.27 0.03 3.49 1.02 -0.44 -4.91 120.64 117.15 3dfy n GLU 257 Ca 0.17 0.44 -0.16 0.00 -0.02 0.00 0.00 57.16 57.59 3dfy n GLU 257 Cb 0.44 -4.56 -0.14 0.00 -0.02 0.00 0.00 31.44 27.16 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 0.85 0.43 -2.27 0.62 0.00 -1.61 -3.45 119.26 113.83 3dfy h ALA 258 Ca -0.63 -1.27 -0.37 0.00 0.00 0.00 0.00 54.91 52.65 3dfy h ALA 258 Cb 1.37 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 19.45 3dfy h ALA 258 CO 0.60 1.29 -0.62 0.14 0.00 0.00 0.00 179.25 180.66 3dfy s VAL 259 N -2.60 0.72 -0.15 0.00 -7.23 -1.26 -3.22 120.40 106.66 3dfy s VAL 259 Ca -0.11 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.19 3dfy s VAL 259 Cb 0.07 -2.58 -0.24 0.00 0.56 0.00 0.00 36.38 34.19 3dfy s VAL 259 CO 0.82 -0.08 0.27 0.47 -0.31 0.00 0.00 175.10 176.27 3dfy n ASP 260 N -0.47 0.57 -4.21 4.85 8.00 0.45 -4.98 116.55 120.76 3dfy n ASP 260 Ca -0.01 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 3dfy n ASP 260 Cb 0.66 0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.53 1.14 -0.07 1.24 1.51 -0.14 -1.53 117.35 116.97 3dfy s TYR 261 Ca -0.11 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.27 3dfy s TYR 261 Cb 0.07 -0.61 0.01 0.00 -0.11 0.00 0.00 41.96 41.32 3dfy s TYR 261 CO 0.81 0.02 -0.14 0.08 -1.11 0.00 0.00 175.55 175.21 3dfy s VAL 262 N -2.86 1.25 -0.44 0.71 1.01 -1.02 -0.84 120.40 118.21 3dfy s VAL 262 Ca 0.10 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 3dfy s VAL 262 Cb -0.00 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.30 3dfy s VAL 262 CO -0.00 0.38 0.38 0.21 0.00 0.00 0.00 175.10 176.06 3dfy s ASN 263 N 0.57 6.14 0.17 3.32 2.47 0.64 -2.56 114.94 125.69 3dfy s ASN 263 Ca -0.14 -1.02 -0.27 0.00 0.42 0.00 0.00 52.86 51.85 3dfy s ASN 263 Cb -0.15 -2.19 -0.08 0.00 -1.45 0.00 0.00 41.25 37.38 3dfy s ASN 263 CO 0.04 -0.57 0.84 -0.63 -3.72 0.00 0.00 177.10 173.06 3dfy s ILE 264 N 1.80 4.35 -0.06 -5.21 1.01 -0.13 -4.68 121.20 118.28 3dfy s ILE 264 Ca 0.06 1.83 -0.01 0.00 0.00 0.00 0.00 60.65 62.54 3dfy s ILE 264 Cb -0.21 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.09 3dfy s ILE 264 CO 0.09 0.48 -0.01 -0.54 0.00 0.00 0.00 174.94 174.96 3dfy s LYS 265 N -0.91 0.63 0.52 2.79 1.02 -1.26 -0.30 119.74 122.22 3dfy s LYS 265 Ca 0.39 0.05 0.16 0.00 0.02 0.00 0.00 55.97 56.58 3dfy s LYS 265 Cb -0.24 -0.88 1.25 0.00 -0.52 0.00 0.00 37.83 37.44 3dfy s LYS 265 CO 0.28 -0.23 2.15 -0.07 -0.92 0.00 0.00 175.35 176.55 3dfy h LEU 266 N 7.93 0.02 -1.99 3.17 3.38 -1.88 -0.50 115.31 125.45 3dfy h LEU 266 Ca -0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3dfy h LEU 266 Cb 1.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3dfy h LEU 266 CO 0.33 0.02 0.00 0.24 0.09 0.00 0.00 178.44 179.12 3dfy h MET 267 N 0.03 0.00 0.05 1.13 2.86 -1.91 0.34 114.93 117.42 3dfy h MET 267 Ca 0.01 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.28 3dfy h MET 267 Cb -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3dfy h MET 267 CO -0.00 0.00 -2.11 1.63 1.06 0.00 0.00 176.91 177.49 3dfy n LYS 268 N -3.01 0.67 -0.01 1.72 5.02 -0.27 -2.57 118.16 119.71 3dfy n LYS 268 Ca -0.01 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.64 3dfy n LYS 268 Cb 0.20 -1.63 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 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 -3.66 0.89 -0.31 4.39 7.64 -0.74 -4.72 113.62 117.10 3dfy n SER 269 Ca -0.39 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.53 3dfy n SER 269 Cb 0.95 1.76 -0.01 0.00 -1.01 0.00 0.00 64.21 65.90 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 1.51 -1.80 0.14 0.23 0.00 0.12 -3.21 105.19 102.19 3dfy n GLY 270 Ca -0.05 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.29 1.28 0.06 -0.61 1.08 -1.83 -2.66 117.51 114.54 3dfy h ILE 271 Ca -0.01 -1.01 0.01 0.00 -0.39 0.00 0.00 64.86 63.47 3dfy h ILE 271 Cb 0.29 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 3dfy h ILE 271 CO 0.01 0.31 -0.46 0.77 -0.69 0.00 0.00 178.15 178.09 3dfy h SER 272 N 0.13 -1.39 -0.10 1.72 4.64 -1.94 -1.02 113.55 115.57 3dfy h SER 272 Ca 0.05 0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 3dfy h SER 272 Cb 0.48 0.52 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3dfy h SER 272 CO 0.02 -0.47 -0.10 0.44 -0.87 0.00 0.00 176.83 175.85 3dfy h ASP 273 N -0.62 0.40 -0.60 4.97 5.19 -1.65 -2.74 116.42 121.38 3dfy h ASP 273 Ca 0.00 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 3dfy h ASP 273 Cb 0.64 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3dfy h ASP 273 CO -0.27 0.55 0.35 0.00 -3.12 0.00 0.00 179.24 176.74 3dfy h ALA 274 N 1.50 0.76 -0.43 3.45 0.00 -1.09 0.16 119.26 123.61 3dfy h ALA 274 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dfy h ALA 274 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3dfy h ALA 274 CO 0.02 0.25 0.02 -0.07 0.00 0.00 0.00 179.25 179.48 3dfy h LEU 275 N 0.81 0.64 -0.38 0.00 3.38 -0.92 -1.78 115.31 117.06 3dfy h LEU 275 Ca 0.21 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3dfy h LEU 275 Cb -0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3dfy h LEU 275 CO -0.04 0.70 -0.41 0.00 0.09 0.00 0.00 178.44 178.78 3dfy h ALA 276 N 1.38 0.56 -0.49 1.53 0.00 -1.11 -2.69 119.26 118.43 3dfy h ALA 276 Ca 0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3dfy h ALA 276 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3dfy h ALA 276 CO 0.01 0.68 0.20 0.82 0.00 0.00 0.00 179.25 180.96 3dfy h ILE 277 N 0.75 1.18 0.05 0.00 2.04 -0.33 -0.56 117.51 120.64 3dfy h ILE 277 Ca 0.05 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3dfy h ILE 277 Cb 1.01 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3dfy h ILE 277 CO 0.10 0.22 -0.02 0.58 0.00 0.00 0.00 178.15 179.03 3dfy h VAL 278 N 0.70 1.08 -0.71 1.67 2.07 -1.15 -0.82 116.25 119.09 3dfy h VAL 278 Ca 0.17 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3dfy h VAL 278 Cb 0.13 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3dfy h VAL 278 CO -0.02 0.11 0.46 -0.33 0.02 0.00 0.00 177.57 177.81 3dfy h GLU 279 N -0.26 0.89 -0.36 1.57 4.39 -1.13 -0.93 114.58 118.75 3dfy h GLU 279 Ca -0.01 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3dfy h GLU 279 Cb 0.23 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3dfy h GLU 279 CO 0.01 0.59 0.14 0.82 -1.16 0.00 0.00 179.01 179.41 3dfy h ILE 280 N 0.92 1.19 -0.02 3.13 2.04 -1.05 -2.29 117.51 121.43 3dfy h ILE 280 Ca 0.27 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3dfy h ILE 280 Cb -0.05 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3dfy h ILE 280 CO -0.08 0.21 0.01 0.00 0.00 0.00 0.00 178.15 178.29 3dfy h ALA 281 N 0.98 0.02 0.00 1.87 0.00 -0.76 -1.77 119.26 119.61 3dfy h ALA 281 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dfy h ALA 281 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dfy h ALA 281 CO -0.01 -0.46 0.00 0.39 0.00 0.00 0.00 179.25 179.17 3dfy n GLU 282 N -5.06 0.25 -0.01 0.00 1.02 -0.39 -1.72 120.64 114.73 3dfy n GLU 282 Ca -0.07 0.13 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 3dfy n GLU 282 Cb 0.05 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.26 2.34 -0.39 1.62 7.64 -0.73 -4.59 113.62 118.26 3dfy n SER 283 Ca 0.08 -1.67 0.01 0.00 1.01 0.00 0.00 58.87 58.31 3dfy n SER 283 Cb 0.12 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.88 0.33 -0.93 6.43 3.41 -0.70 -5.01 113.62 118.03 3dfy n SER 284 Ca 0.09 -2.04 -0.11 0.00 -0.26 0.00 0.00 58.87 56.56 3dfy n SER 284 Cb 0.40 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.19 0.93 3.85 5.00 0.00 -1.10 -5.01 105.19 108.68 3dfy n GLY 285 Ca 0.02 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.63 4.44 0.31 0.99 2.96 -0.84 -5.02 118.68 118.90 3dfy s LEU 286 Ca 0.00 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 3dfy s LEU 286 Cb 0.00 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 3dfy s LEU 286 CO 0.00 0.35 0.50 -0.54 -1.32 0.00 0.00 176.35 175.33 3dfy s LYS 287 N -1.10 3.49 0.07 1.98 -0.14 -0.58 -4.40 119.74 119.05 3dfy s LYS 287 Ca 0.21 -0.40 0.05 0.00 -1.36 0.00 0.00 55.97 54.48 3dfy s LYS 287 Cb -0.15 -2.72 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 3dfy s LYS 287 CO 0.11 0.23 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.26 3dfy s LEU 288 N -4.13 2.25 0.08 3.17 1.43 -1.26 -2.42 118.68 117.80 3dfy s LEU 288 Ca 0.39 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3dfy s LEU 288 Cb -0.10 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 3dfy s LEU 288 CO 0.34 -0.03 -0.06 0.00 0.23 0.00 0.00 176.35 176.83 3dfy s MET 289 N -1.62 0.73 -0.04 1.70 0.23 -1.06 -0.58 119.30 118.66 3dfy s MET 289 Ca -0.00 -1.21 0.04 0.00 -1.03 0.00 0.00 55.69 53.49 3dfy s MET 289 Cb -0.09 -0.11 -0.00 0.00 -1.53 0.00 0.00 34.83 33.09 3dfy s MET 289 CO 0.02 -0.03 -0.16 -1.50 -2.03 0.00 0.00 175.02 171.33 3dfy s ILE 290 N -3.33 1.31 0.00 3.16 2.07 -1.01 -0.95 121.20 122.46 3dfy s ILE 290 Ca 0.07 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 3dfy s ILE 290 Cb 0.03 -1.14 0.00 0.00 0.13 0.00 0.00 42.46 41.48 3dfy s ILE 290 CO -0.05 0.38 0.00 0.61 -1.91 0.00 0.00 174.94 173.97 3dfy n GLY 291 N 3.24 6.57 3.68 1.50 0.00 0.59 0.13 105.19 120.89 3dfy n GLY 291 Ca -0.19 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.05 0.00 2.81 -1.26 -4.99 117.12 111.11 3dfy n MET 293 Ca -0.04 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.78 3dfy n MET 293 Cb 0.61 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.17 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 4.53 3.83 3.75 3.03 0.00 -1.26 -4.77 105.19 114.29 3dfy n GLY 294 Ca 0.00 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.14 2.99 0.41 1.61 8.01 -1.26 -4.91 118.70 122.41 3dfy s GLU 295 Ca 0.38 2.13 -0.01 0.00 0.01 0.00 0.00 54.97 57.48 3dfy s GLU 295 Cb 0.37 -2.12 0.08 0.00 -4.31 0.00 0.00 34.13 28.16 3dfy s GLU 295 CO -0.03 -1.28 0.57 -1.13 0.01 0.00 0.00 175.26 173.40 3dfy n SER 296 N -1.30 0.67 -0.21 -0.19 3.41 -1.26 -2.87 113.62 111.86 3dfy n SER 296 Ca 0.12 -1.58 0.01 0.00 -0.26 0.00 0.00 58.87 57.16 3dfy n SER 296 Cb 0.46 -0.38 0.13 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.40 0.19 0.27 4.04 4.64 -1.93 0.57 113.55 120.93 3dfy h SER 297 Ca -0.19 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3dfy h SER 297 Cb 0.67 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3dfy h SER 297 CO 0.19 0.10 -0.20 0.25 -0.87 0.00 0.00 176.83 176.30 3dfy h LEU 298 N 0.38 0.00 0.20 5.97 6.46 -1.94 -2.14 115.31 124.24 3dfy h LEU 298 Ca 0.33 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.77 3dfy h LEU 298 Cb 0.45 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3dfy h LEU 298 CO -0.35 0.20 -1.50 1.23 -0.62 0.00 0.00 178.44 177.41 3dfy h GLY 299 N 0.75 0.49 2.00 3.75 0.00 -1.43 -3.24 103.07 105.40 3dfy h GLY 299 Ca -0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 47.33 46.03 3dfy h GLY 299 CO 0.03 1.10 -0.18 1.19 0.00 0.00 0.00 176.54 178.68 3dfy h ILE 300 N 0.12 0.63 -1.00 2.60 6.09 -0.81 -2.21 117.51 122.92 3dfy h ILE 300 Ca -0.25 -0.80 0.14 0.00 -1.37 0.00 0.00 64.86 62.58 3dfy h ILE 300 Cb 2.10 1.51 -0.09 0.00 0.47 0.00 0.00 36.82 40.82 3dfy h ILE 300 CO 0.23 0.18 0.63 -1.13 -3.07 0.00 0.00 178.15 174.99 3dfy h ASN 301 N 0.00 0.88 -0.59 2.19 -1.24 -1.41 -0.13 115.58 115.28 3dfy h ASN 301 Ca -0.00 0.06 0.06 0.00 0.71 0.00 0.00 56.30 57.13 3dfy h ASN 301 Cb 0.50 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 3dfy h ASN 301 CO 0.02 0.42 0.30 1.56 -1.29 0.00 0.00 177.43 178.44 3dfy h GLN 302 N 0.91 0.54 -0.09 6.67 4.20 -1.53 -1.62 115.11 124.20 3dfy h GLN 302 Ca 0.52 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 59.02 3dfy h GLN 302 Cb 0.63 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3dfy h GLN 302 CO -0.30 0.36 -0.71 0.77 -0.67 0.00 0.00 178.83 178.27 3dfy h SER 303 N 0.55 0.51 -0.05 1.46 0.02 -1.21 -2.49 113.55 112.34 3dfy h SER 303 Ca 0.27 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3dfy h SER 303 Cb 0.21 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3dfy h SER 303 CO -0.20 1.06 0.02 0.58 -1.14 0.00 0.00 176.83 177.16 3dfy h VAL 304 N 0.30 1.12 -0.44 2.27 2.07 -0.72 0.15 116.25 121.00 3dfy h VAL 304 Ca -0.03 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3dfy h VAL 304 Cb 1.29 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3dfy h VAL 304 CO 0.12 0.10 0.10 0.45 0.02 0.00 0.00 177.57 178.36 3dfy h HIS 305 N -0.05 0.67 -0.33 1.57 -0.00 -1.35 0.17 115.15 115.83 3dfy h HIS 305 Ca 0.02 -0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.25 3dfy h HIS 305 Cb 0.14 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 3dfy h HIS 305 CO -0.03 0.58 -0.13 0.35 -0.00 0.00 0.00 177.93 178.71 3dfy h PHE 306 N 0.64 0.77 -0.25 2.45 3.57 -1.12 -0.36 116.94 122.63 3dfy h PHE 306 Ca 0.14 -0.18 -0.16 0.00 3.53 0.00 0.00 57.97 61.31 3dfy h PHE 306 Cb 0.26 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3dfy h PHE 306 CO 0.01 0.87 -0.48 0.00 -2.23 0.00 0.00 178.31 176.48 3dfy h ALA 307 N 0.79 0.69 -0.04 2.41 0.00 -0.32 -2.08 119.26 120.71 3dfy h ALA 307 Ca 0.08 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3dfy h ALA 307 Cb 0.65 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3dfy h ALA 307 CO 0.04 0.67 -0.05 -0.07 0.00 0.00 0.00 179.25 179.85 3dfy h LEU 308 N 0.53 0.10 0.24 0.00 3.38 -0.64 -0.49 115.31 118.43 3dfy h LEU 308 Ca 0.03 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3dfy h LEU 308 Cb 1.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3dfy h LEU 308 CO 0.10 0.60 -0.11 1.23 0.09 0.00 0.00 178.44 180.34 3dfy h GLY 309 N -0.39 -0.33 1.71 0.83 0.00 -1.10 -0.44 103.07 103.35 3dfy h GLY 309 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 3dfy h GLY 309 CO 0.01 -0.12 -0.92 -0.91 0.00 0.00 0.00 176.54 174.60 3dfy h THR 310 N -0.45 1.47 -2.02 4.70 1.35 -1.49 -0.02 112.91 116.45 3dfy h THR 310 Ca -0.03 -2.62 -0.40 0.00 -0.55 0.00 0.00 66.41 62.81 3dfy h THR 310 Cb 0.34 2.50 -0.09 0.00 -1.73 0.00 0.00 68.15 69.16 3dfy h THR 310 CO 0.05 0.77 -0.43 0.61 -0.25 0.00 0.00 175.52 176.27 3dfy n GLY 311 N 0.95 0.78 0.02 5.82 0.00 -0.19 -4.75 105.19 107.82 3dfy n GLY 311 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.28 2.56 -2.81 4.61 0.00 -1.26 -4.91 120.51 118.42 3dfy n ALA 312 Ca -0.21 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 3dfy n ALA 312 Cb 0.66 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.64 3.43 0.06 0.00 0.08 -1.26 -4.37 117.98 113.29 3dfy s PHE 313 Ca 0.26 0.36 -0.14 0.00 0.12 0.00 0.00 56.93 57.52 3dfy s PHE 313 Cb 0.20 -1.98 -0.27 0.00 -0.57 0.00 0.00 43.02 40.40 3dfy s PHE 313 CO 0.48 0.51 1.13 0.93 -0.10 0.00 0.00 175.22 178.17 3dfy h GLU 314 N 5.61 0.64 -4.99 0.44 4.39 -1.19 -3.46 114.58 116.01 3dfy h GLU 314 Ca -0.49 -0.81 -0.33 0.00 0.34 0.00 0.00 59.36 58.07 3dfy h GLU 314 Cb 1.20 0.26 -0.19 0.00 -0.10 0.00 0.00 28.75 29.92 3dfy h GLU 314 CO 0.63 1.36 -0.74 -0.06 -1.16 0.00 0.00 179.01 179.04 3dfy s PHE 315 N -3.07 1.04 -0.10 4.33 0.08 -1.25 -5.05 117.98 113.96 3dfy s PHE 315 Ca -0.09 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.37 3dfy s PHE 315 Cb 0.06 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.95 3dfy s PHE 315 CO 0.93 0.00 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.94 3dfy s HIS 316 N -2.05 1.63 -0.76 0.36 3.76 -1.25 -2.40 115.29 114.59 3dfy s HIS 316 Ca 0.02 -0.77 0.03 0.00 -0.15 0.00 0.00 55.06 54.19 3dfy s HIS 316 Cb -0.05 -1.26 0.24 0.00 1.11 0.00 0.00 32.58 32.62 3dfy s HIS 316 CO 0.01 -0.46 0.82 -3.47 -0.85 0.00 0.00 174.74 170.78 3dfy n ASP 317 N 4.50 4.10 -3.27 1.40 2.03 0.12 -1.32 116.55 124.11 3dfy n ASP 317 Ca -0.17 -3.35 -0.27 0.00 0.52 0.00 0.00 54.79 51.52 3dfy n ASP 317 Cb 0.51 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 40.01 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 1.33 3.98 -0.34 -2.67 4.77 -1.26 -3.07 117.00 119.75 3dfy n LEU 318 Ca 0.26 -5.52 0.04 0.00 -0.03 0.00 0.00 56.01 50.76 3dfy n LEU 318 Cb 0.38 -0.63 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 3dfy n LEU 318 CO 0.42 2.15 0.44 -0.90 -1.33 0.00 0.00 177.39 178.18 3dfy n ASP 319 N 0.51 1.95 -0.22 -1.43 5.75 -1.26 -4.71 116.55 117.14 3dfy n ASP 319 Ca 0.30 -1.54 0.05 0.00 -0.01 0.00 0.00 54.79 53.60 3dfy n ASP 319 Cb 0.40 -0.05 0.31 0.00 -1.03 0.00 0.00 41.12 40.76 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 1.41 0.75 0.65 -1.12 4.64 -1.86 -0.71 113.55 117.31 3dfy h SER 320 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3dfy h SER 320 Cb 0.42 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3dfy h SER 320 CO 0.00 0.49 -0.11 1.12 -0.87 0.00 0.00 176.83 177.45 3dfy h HIS 321 N 0.85 0.00 -0.00 4.77 2.07 -1.81 -2.08 115.15 118.96 3dfy h HIS 321 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 3dfy h HIS 321 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 3dfy h HIS 321 CO -0.00 0.11 -0.06 1.28 -3.07 0.00 0.00 177.93 176.19 3dfy n LEU 322 N -3.39 0.11 -0.00 6.12 4.77 -0.28 -2.99 117.00 121.35 3dfy n LEU 322 Ca -0.01 0.31 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 3dfy n LEU 322 Cb 0.30 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 40.90 3dfy n LEU 322 CO 0.29 0.02 -0.25 0.23 -1.33 0.00 0.00 177.39 176.35 3dfy n MET 323 N -1.34 0.38 -3.92 3.23 2.81 -0.79 -4.97 117.12 112.53 3dfy n MET 323 Ca 0.11 -0.06 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 3dfy n MET 323 Cb 0.29 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.31 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 -3.40 4.16 -0.23 4.03 1.43 -1.16 -2.84 118.68 120.67 3dfy s LEU 324 Ca 0.03 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3dfy s LEU 324 Cb 0.15 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 3dfy s LEU 324 CO 0.85 -0.13 -0.00 -0.54 0.23 0.00 0.00 176.35 176.76 3dfy s LYS 325 N -3.98 3.45 -0.09 1.70 1.02 -0.49 -4.97 119.74 116.38 3dfy s LYS 325 Ca 0.36 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.78 3dfy s LYS 325 Cb -0.09 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3dfy s LYS 325 CO 0.28 -0.21 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.14 3dfy s GLU 326 N 1.52 2.19 0.22 1.68 2.02 -1.26 -4.52 118.70 120.55 3dfy s GLU 326 Ca 0.06 -0.57 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 3dfy s GLU 326 Cb -0.15 -1.79 0.22 0.00 0.10 0.00 0.00 34.13 32.52 3dfy s GLU 326 CO -0.01 0.02 1.58 0.93 0.02 0.00 0.00 175.26 177.80 3dfy h GLU 327 N 7.11 -0.07 -4.29 1.61 5.08 -2.03 -3.41 114.58 118.57 3dfy h GLU 327 Ca -0.28 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.87 3dfy h GLU 327 Cb 1.19 0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.26 3dfy h GLU 327 CO 0.48 -0.05 -0.71 0.54 -1.00 0.00 0.00 179.01 178.27 3dfy s VAL 328 N -6.06 0.34 0.17 3.13 0.11 -1.26 -5.13 120.40 111.70 3dfy s VAL 328 Ca -0.14 -1.17 -0.31 0.00 -2.93 0.00 0.00 61.98 57.43 3dfy s VAL 328 Cb 0.19 -0.66 -0.09 0.00 -1.53 0.00 0.00 36.38 34.29 3dfy s VAL 328 CO 0.72 -0.54 1.40 0.12 -3.33 0.00 0.00 175.10 173.47 3dfy s PHE 329 N -1.89 3.18 -0.06 1.54 5.36 -1.26 -4.92 117.98 119.92 3dfy s PHE 329 Ca -0.09 1.00 0.09 0.00 -0.96 0.00 0.00 56.93 56.97 3dfy s PHE 329 Cb -0.07 -3.72 0.14 0.00 -0.34 0.00 0.00 43.02 39.03 3dfy s PHE 329 CO -0.02 -2.44 1.06 0.54 -1.46 0.00 0.00 175.22 172.90 3dfy n ARG 330 N 3.25 2.07 -3.25 10.12 1.74 -1.26 -5.04 116.66 124.29 3dfy n ARG 330 Ca 0.09 -1.98 -0.29 0.00 -0.77 0.00 0.00 57.85 54.90 3dfy n ARG 330 Cb 0.41 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.86 1.92 -0.90 -0.13 0.00 -1.26 -3.95 107.32 101.13 3dfy s GLY 331 Ca 0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3dfy s GLY 331 CO 0.01 -0.33 1.94 0.28 0.00 0.00 0.00 173.10 175.00 3dfy n LYS 332 N -0.91 3.69 -3.88 2.90 5.02 -1.26 -4.92 118.16 118.80 3dfy n LYS 332 Ca -0.01 -3.94 -0.11 0.00 -2.02 0.00 0.00 58.31 52.23 3dfy n LYS 332 Cb 0.54 -2.34 0.01 0.00 -0.02 0.00 0.00 35.03 33.21 3dfy n LYS 332 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3dfy n PHE 333 N -0.37 -2.02 -3.97 2.13 1.16 -1.26 -4.84 117.46 108.28 3dfy n PHE 333 Ca 0.51 -2.08 -0.34 0.00 -1.87 0.00 0.00 57.45 53.67 3dfy n PHE 333 Cb 0.25 0.79 -0.15 0.00 -1.61 0.00 0.00 39.48 38.76 3dfy n PHE 333 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3dfy s ILE 334 N -2.39 2.93 -0.33 1.97 1.01 0.79 -4.96 121.20 120.23 3dfy s ILE 334 Ca 0.21 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 3dfy s ILE 334 Cb -0.03 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3dfy s ILE 334 CO 0.16 0.40 0.57 -1.58 0.00 0.00 0.00 174.94 174.48 3dfy s GLN 335 N 1.40 3.76 -0.49 2.79 2.00 -1.26 -1.40 119.66 126.46 3dfy s GLN 335 Ca 0.04 0.06 0.03 0.00 -2.00 0.00 0.00 55.36 53.49 3dfy s GLN 335 Cb -0.14 -3.77 0.14 0.00 0.80 0.00 0.00 33.01 30.04 3dfy s GLN 335 CO -0.06 -0.61 0.27 0.34 -0.50 0.00 0.00 175.29 174.74 3dfy s ASP 336 N 1.71 3.89 0.97 6.67 2.15 0.25 -4.99 116.67 127.31 3dfy s ASP 336 Ca 0.22 -2.88 0.00 0.00 0.43 0.00 0.00 52.55 50.32 3dfy s ASP 336 Cb -0.15 -1.26 0.00 0.00 -0.30 0.00 0.00 42.92 41.21 3dfy s ASP 336 CO 0.13 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 3dfy n GLY 337 N 3.23 2.50 0.48 2.66 0.00 -1.26 -1.23 105.19 111.57 3dfy n GLY 337 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3dfy n GLY 337 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dfy n PRO 338 N 13.55 0.93 -4.32 1.61 -0.04 -1.26 -4.82 135.00 140.65 3dfy n PRO 338 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 3dfy n PRO 338 Cb 0.00 -1.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.89 3dfy n PRO 338 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3dfy s ARG 339 N -1.03 1.22 -0.02 0.54 0.52 -0.37 -0.60 118.95 119.20 3dfy s ARG 339 Ca 0.00 -1.23 0.04 0.00 -0.52 0.00 0.00 55.73 54.02 3dfy s ARG 339 Cb 0.00 -1.54 -0.01 0.00 0.52 0.00 0.00 34.95 33.92 3dfy s ARG 339 CO 0.00 0.36 -0.15 -1.64 0.02 0.00 0.00 175.30 173.89 3dfy s MET 340 N -2.01 1.36 0.13 3.54 -1.94 -0.60 0.85 119.30 120.63 3dfy s MET 340 Ca 0.09 -0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 53.53 3dfy s MET 340 Cb -0.10 -1.26 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 3dfy s MET 340 CO 0.05 0.27 0.06 1.03 -0.01 0.00 0.00 175.02 176.42 3dfy s ARG 341 N -0.15 0.93 0.46 2.03 0.52 -0.49 -2.08 118.95 120.16 3dfy s ARG 341 Ca 0.02 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 3dfy s ARG 341 Cb -0.08 0.25 -0.00 0.00 0.52 0.00 0.00 34.95 35.64 3dfy s ARG 341 CO 0.00 -0.26 0.68 0.54 0.02 0.00 0.00 175.30 176.28 3dfy s VAL 342 N -4.04 3.92 0.00 3.52 0.11 -1.23 -0.15 120.40 122.53 3dfy s VAL 342 Ca 0.23 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 3dfy s VAL 342 Cb 0.07 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 3dfy s VAL 342 CO 0.01 -0.32 0.30 1.17 -3.33 0.00 0.00 175.10 172.94