#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 3.98 -0.12 0.55 1.01 -0.33 -1.30 121.20 124.99 3dfy s ILE 4 Ca 0.00 1.36 0.13 0.00 0.00 0.00 0.00 60.65 62.13 3dfy s ILE 4 Cb 0.00 -3.87 -0.18 0.00 0.01 0.00 0.00 42.46 38.42 3dfy s ILE 4 CO 0.00 0.02 0.09 1.33 0.00 0.00 0.00 174.94 176.38 3dfy n VAL 5 N 4.48 0.82 -3.77 2.92 0.24 0.78 -0.54 118.33 123.25 3dfy n VAL 5 Ca 0.11 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 3dfy n VAL 5 Cb 0.45 -0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 32.22 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 -4.56 -0.11 -0.03 -1.34 2.47 -0.95 -4.91 114.94 105.50 3dfy s ASN 6 Ca -0.07 -0.18 -0.01 0.00 0.42 0.00 0.00 52.86 53.02 3dfy s ASN 6 Cb 0.05 0.34 0.03 0.00 -1.45 0.00 0.00 41.25 40.22 3dfy s ASN 6 CO 0.57 -0.58 0.07 -0.69 -3.72 0.00 0.00 177.10 172.74 3dfy s VAL 7 N -2.39 -0.05 -0.02 -5.21 1.01 -1.26 -0.81 120.40 111.66 3dfy s VAL 7 Ca -0.06 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3dfy s VAL 7 Cb -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.24 3dfy s VAL 7 CO -0.02 0.08 -0.07 -0.75 0.00 0.00 0.00 175.10 174.33 3dfy s LYS 8 N 1.01 0.75 -0.15 2.72 2.20 0.59 -4.87 119.74 121.99 3dfy s LYS 8 Ca -0.08 -0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.28 3dfy s LYS 8 Cb -0.11 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.46 3dfy s LYS 8 CO -0.04 0.07 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.45 3dfy s LEU 9 N 0.25 3.08 -0.05 5.43 1.02 -1.26 -0.53 118.68 126.62 3dfy s LEU 9 Ca -0.03 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 53.94 3dfy s LEU 9 Cb -0.08 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.42 3dfy s LEU 9 CO 0.00 0.16 -0.09 -0.44 0.02 0.00 0.00 176.35 176.00 3dfy s SER 10 N 0.42 1.35 0.03 2.29 0.01 0.06 -4.94 113.70 112.93 3dfy s SER 10 Ca -0.06 -0.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 3dfy s SER 10 Cb -0.15 -0.61 -0.06 0.00 0.21 0.00 0.00 66.02 65.41 3dfy s SER 10 CO 0.03 -0.00 1.32 -0.22 0.41 0.00 0.00 173.24 174.78 3dfy s LEU 11 N 0.72 4.34 -0.06 2.44 2.96 -1.26 -0.30 118.68 127.51 3dfy s LEU 11 Ca -0.12 2.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.89 3dfy s LEU 11 Cb -0.15 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.99 3dfy s LEU 11 CO 0.02 -0.62 -0.09 -0.54 -1.32 0.00 0.00 176.35 173.80 3dfy s LYS 12 N 1.77 1.40 -0.04 1.98 -0.14 0.51 -4.93 119.74 120.27 3dfy s LYS 12 Ca 0.62 -0.29 0.04 0.00 -1.36 0.00 0.00 55.97 54.97 3dfy s LYS 12 Cb -0.31 -1.25 -0.03 0.00 -1.68 0.00 0.00 37.83 34.57 3dfy s LYS 12 CO 0.27 -0.05 -0.15 -0.98 -0.76 0.00 0.00 175.35 173.69 3dfy s ARG 13 N 0.89 2.47 -0.01 1.68 1.70 -1.26 -0.47 118.95 123.94 3dfy s ARG 13 Ca -0.11 -0.72 0.04 0.00 -0.47 0.00 0.00 55.73 54.48 3dfy s ARG 13 Cb -0.15 -2.36 -0.01 0.00 -0.57 0.00 0.00 34.95 31.86 3dfy s ARG 13 CO 0.01 0.62 -0.14 0.71 -1.08 0.00 0.00 175.30 175.42 3dfy s TYR 14 N -0.74 1.30 0.05 5.89 2.02 -0.68 -4.95 117.35 120.24 3dfy s TYR 14 Ca 0.12 -0.25 -0.20 0.00 -0.37 0.00 0.00 57.07 56.37 3dfy s TYR 14 Cb -0.11 -0.84 -0.06 0.00 -0.40 0.00 0.00 41.96 40.55 3dfy s TYR 14 CO 0.01 -0.03 0.58 -1.21 -1.57 0.00 0.00 175.55 173.33 3dfy s GLU 15 N -0.31 4.24 0.92 -0.62 0.41 -1.26 -0.76 118.70 121.31 3dfy s GLU 15 Ca 0.05 0.74 -0.14 0.00 -0.41 0.00 0.00 54.97 55.21 3dfy s GLU 15 Cb -0.06 -3.27 0.17 0.00 -1.78 0.00 0.00 34.13 29.19 3dfy s GLU 15 CO -0.00 0.57 1.28 0.71 -0.49 0.00 0.00 175.26 177.32 3dfy s TYR 16 N -0.87 1.93 -1.34 1.61 2.02 -1.26 -1.37 117.35 118.07 3dfy s TYR 16 Ca 0.30 0.40 0.17 0.00 -0.37 0.00 0.00 57.07 57.57 3dfy s TYR 16 Cb -0.19 -3.93 0.65 0.00 -0.40 0.00 0.00 41.96 38.08 3dfy s TYR 16 CO 0.19 -2.40 1.54 -1.91 -1.57 0.00 0.00 175.55 171.39 3dfy n GLU 17 N -3.62 3.32 -0.06 -0.62 4.07 -0.95 -4.80 120.64 117.96 3dfy n GLU 17 Ca 0.13 -2.57 -0.03 0.00 -0.06 0.00 0.00 57.16 54.63 3dfy n GLU 17 Cb 0.60 -1.78 -0.15 0.00 -0.06 0.00 0.00 31.44 30.05 3dfy n GLU 17 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3dfy n SER 28 N 1.11 0.53 -4.06 4.31 3.41 -1.26 -5.11 113.62 112.55 3dfy n SER 28 Ca 0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.76 3dfy n SER 28 Cb 0.78 1.24 -0.09 0.00 -0.26 0.00 0.00 64.21 65.87 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 -2.72 0.86 -0.28 4.33 2.12 -1.26 -4.71 118.70 117.04 3dfy s GLU 29 Ca -0.08 -1.27 -0.00 0.00 0.36 0.00 0.00 54.97 53.98 3dfy s GLU 29 Cb 0.08 0.27 0.08 0.00 0.26 0.00 0.00 34.13 34.82 3dfy s GLU 29 CO 0.76 -0.24 0.05 0.45 -0.54 0.00 0.00 175.26 175.74 3dfy s SER 30 N -2.97 3.85 -0.47 -1.70 0.15 0.06 -4.94 113.70 107.68 3dfy s SER 30 Ca 0.15 -1.44 -0.19 0.00 0.70 0.00 0.00 55.95 55.17 3dfy s SER 30 Cb 0.07 -0.95 0.04 0.00 -1.71 0.00 0.00 66.02 63.47 3dfy s SER 30 CO -0.04 -0.36 0.59 -0.13 1.20 0.00 0.00 173.24 174.51 3dfy s ARG 31 N 1.55 3.15 0.31 5.44 0.52 -1.26 -1.69 118.95 126.97 3dfy s ARG 31 Ca 0.05 -0.75 0.09 0.00 -0.52 0.00 0.00 55.73 54.60 3dfy s ARG 31 Cb -0.18 -4.04 -0.05 0.00 0.52 0.00 0.00 34.95 31.21 3dfy s ARG 31 CO -0.16 -1.10 0.04 -0.80 0.02 0.00 0.00 175.30 173.29 3dfy s ASN 32 N 2.36 4.46 -0.29 0.23 0.01 0.38 -4.64 114.94 117.46 3dfy s ASN 32 Ca 0.16 -0.79 -0.01 0.00 -0.71 0.00 0.00 52.86 51.52 3dfy s ASN 32 Cb -0.18 -0.71 0.05 0.00 0.41 0.00 0.00 41.25 40.82 3dfy s ASN 32 CO 0.14 -0.15 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.86 3dfy s VAL 33 N -2.41 2.77 0.16 1.60 1.01 0.05 -0.37 120.40 123.21 3dfy s VAL 33 Ca 0.34 -1.43 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 3dfy s VAL 33 Cb -0.04 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 3dfy s VAL 33 CO 0.20 -0.07 0.79 -0.70 0.00 0.00 0.00 175.10 175.32 3dfy s GLU 34 N 1.22 4.59 -0.20 2.72 2.12 0.59 -0.62 118.70 129.12 3dfy s GLU 34 Ca -0.06 1.18 -0.03 0.00 0.36 0.00 0.00 54.97 56.42 3dfy s GLU 34 Cb -0.20 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 3dfy s GLU 34 CO -0.02 0.54 -0.07 0.08 -0.54 0.00 0.00 175.26 175.26 3dfy s VAL 35 N -1.06 3.26 -0.15 3.70 1.01 0.26 -0.76 120.40 126.67 3dfy s VAL 35 Ca 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3dfy s VAL 35 Cb -0.23 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 3dfy s VAL 35 CO 0.26 0.45 -0.16 -0.70 0.00 0.00 0.00 175.10 174.96 3dfy s GLU 36 N 1.24 3.23 -0.11 2.72 2.12 0.31 -0.56 118.70 127.64 3dfy s GLU 36 Ca 0.03 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.62 3dfy s GLU 36 Cb -0.14 -2.60 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 3dfy s GLU 36 CO -0.02 0.06 -0.16 0.42 -0.54 0.00 0.00 175.26 175.01 3dfy s ILE 37 N 0.71 2.81 -0.11 -3.70 1.01 0.38 -0.30 121.20 122.00 3dfy s ILE 37 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3dfy s ILE 37 Cb -0.16 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 3dfy s ILE 37 CO 0.01 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.63 3dfy s VAL 38 N 0.21 2.64 0.27 2.92 1.01 0.01 -0.53 120.40 126.94 3dfy s VAL 38 Ca -0.10 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3dfy s VAL 38 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3dfy s VAL 38 CO 0.06 0.54 0.36 -0.76 0.00 0.00 0.00 175.10 175.30 3dfy s LEU 39 N 0.26 4.10 0.50 3.92 1.02 -0.26 -0.16 118.68 128.05 3dfy s LEU 39 Ca -0.12 -0.09 0.33 0.00 0.02 0.00 0.00 54.13 54.28 3dfy s LEU 39 Cb -0.16 -2.70 1.67 0.00 0.02 0.00 0.00 46.19 45.01 3dfy s LEU 39 CO 0.06 -0.18 2.01 1.05 0.02 0.00 0.00 176.35 179.32 3dfy h GLU 40 N 1.16 0.00 0.00 1.70 4.11 -1.52 -0.02 114.58 120.01 3dfy h GLU 40 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3dfy h GLU 40 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3dfy h GLU 40 CO 0.59 0.00 -0.07 0.66 0.07 0.00 0.00 179.01 180.26 3dfy h SER 41 N 0.00 0.00 0.00 3.06 4.64 -1.94 -3.47 113.55 115.84 3dfy h SER 41 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3dfy h SER 41 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3dfy h SER 41 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3dfy n GLY 42 N 1.27 0.87 3.77 -0.77 0.00 -0.02 -5.07 105.19 105.24 3dfy n GLY 42 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.15 2.84 -0.08 1.61 1.01 -1.26 -4.76 120.40 117.60 3dfy s VAL 43 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.68 3dfy s VAL 43 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3dfy s VAL 43 CO 0.00 0.05 -0.11 -0.54 0.00 0.00 0.00 175.10 174.49 3dfy s LYS 44 N -2.47 1.70 -0.04 2.72 1.02 -1.26 -1.11 119.74 120.30 3dfy s LYS 44 Ca 0.61 -0.39 -0.00 0.00 0.02 0.00 0.00 55.97 56.21 3dfy s LYS 44 Cb -0.34 -1.47 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3dfy s LYS 44 CO 0.42 -0.04 0.00 0.20 -0.92 0.00 0.00 175.35 175.01 3dfy s GLY 45 N 0.90 1.86 0.03 -3.33 0.00 0.31 -4.68 107.32 102.42 3dfy s GLY 45 Ca -0.10 -0.88 0.08 0.00 0.00 0.00 0.00 44.72 43.82 3dfy s GLY 45 CO 0.01 -0.70 -0.23 -0.19 0.00 0.00 0.00 173.10 171.99 3dfy s TYR 46 N -0.99 2.04 0.11 1.90 2.02 -1.26 -0.47 117.35 120.70 3dfy s TYR 46 Ca 0.17 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 3dfy s TYR 46 Cb -0.11 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 3dfy s TYR 46 CO 0.07 0.07 0.11 0.20 -1.57 0.00 0.00 175.55 174.43 3dfy s GLY 47 N -1.04 0.58 -0.02 0.71 0.00 0.28 -3.95 107.32 103.88 3dfy s GLY 47 Ca 0.09 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3dfy s GLY 47 CO 0.01 -1.14 0.00 1.85 0.00 0.00 0.00 173.10 173.83 3dfy s GLU 48 N -3.96 0.24 -0.27 2.90 2.12 -1.26 0.92 118.70 119.38 3dfy s GLU 48 Ca 0.15 0.08 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 3dfy s GLU 48 Cb 0.06 -0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.02 3dfy s GLU 48 CO -0.04 -0.12 0.10 0.00 -0.54 0.00 0.00 175.26 174.66 3dfy s ALA 49 N 0.91 3.20 -0.70 6.30 0.00 0.21 -4.42 121.76 127.26 3dfy s ALA 49 Ca -0.09 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 3dfy s ALA 49 Cb -0.12 -2.19 0.18 0.00 0.00 0.00 0.00 23.12 20.99 3dfy s ALA 49 CO -0.02 -0.65 0.53 0.45 0.00 0.00 0.00 175.76 176.08 3dfy s SER 50 N 1.61 5.44 0.84 0.00 0.15 -1.26 -0.77 113.70 119.70 3dfy s SER 50 Ca 0.05 -3.10 -0.12 0.00 0.70 0.00 0.00 55.95 53.49 3dfy s SER 50 Cb -0.16 -1.87 0.10 0.00 -1.71 0.00 0.00 66.02 62.38 3dfy s SER 50 CO 0.05 -0.32 1.16 -2.16 1.20 0.00 0.00 173.24 173.17 3dfy s PRO 51 N -0.43 1.53 -0.07 5.44 0.04 -1.26 -4.54 135.00 135.71 3dfy s PRO 51 Ca 0.20 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 3dfy s PRO 51 Cb -0.16 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.63 3dfy s PRO 51 CO -0.06 -2.26 0.03 0.45 0.04 0.00 0.00 177.00 175.20 3dfy s SER 52 N -2.57 1.52 0.07 6.66 0.15 -1.26 -4.87 113.70 113.40 3dfy s SER 52 Ca 0.68 -0.09 -0.14 0.00 0.70 0.00 0.00 55.95 57.10 3dfy s SER 52 Cb -0.24 -0.32 -0.20 0.00 -1.71 0.00 0.00 66.02 63.55 3dfy s SER 52 CO 0.54 -0.23 1.23 0.15 1.20 0.00 0.00 173.24 176.13 3dfy h PHE 53 N 8.37 0.99 -0.47 3.44 3.57 -1.84 -0.53 116.94 130.47 3dfy h PHE 53 Ca -0.16 -0.49 -0.08 0.00 3.53 0.00 0.00 57.97 60.77 3dfy h PHE 53 Cb 1.12 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3dfy h PHE 53 CO 0.45 1.32 -0.02 -0.09 -2.23 0.00 0.00 178.31 177.74 3dfy h ARG 54 N 0.38 0.83 0.04 1.11 2.43 -1.94 -0.98 114.38 116.25 3dfy h ARG 54 Ca -0.09 -0.27 -0.29 0.00 -0.81 0.00 0.00 59.98 58.52 3dfy h ARG 54 Cb 1.50 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.94 3dfy h ARG 54 CO 0.17 0.89 -1.59 0.28 -1.51 0.00 0.00 179.97 178.21 3dfy n VAL 55 N -4.34 1.61 0.80 0.20 0.31 -1.25 -4.58 118.33 111.08 3dfy n VAL 55 Ca 0.00 -0.25 0.08 0.00 -0.01 0.00 0.00 64.34 64.17 3dfy n VAL 55 Cb 0.32 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.25 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 -4.12 1.03 -0.17 4.52 3.02 -0.30 -4.97 115.26 114.28 3dfy n ASN 56 Ca -0.34 -1.01 -0.02 0.00 -0.03 0.00 0.00 54.58 53.17 3dfy n ASN 56 Cb 0.81 0.87 -0.01 0.00 -0.61 0.00 0.00 39.78 40.84 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 1.36 0.55 3.88 7.41 0.00 -0.37 -4.96 105.19 113.06 3dfy n GLY 57 Ca 0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.37 3.71 -0.03 1.61 2.02 -0.81 -4.85 118.70 118.99 3dfy s GLU 58 Ca 0.00 0.48 0.01 0.00 0.02 0.00 0.00 54.97 55.48 3dfy s GLU 58 Cb 0.00 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.92 3dfy s GLU 58 CO 0.00 -0.16 -0.02 1.03 0.02 0.00 0.00 175.26 176.12 3dfy s ARG 59 N -4.25 0.53 0.41 1.61 0.52 -1.26 -2.73 118.95 113.78 3dfy s ARG 59 Ca 0.51 -0.03 0.19 0.00 -0.52 0.00 0.00 55.73 55.88 3dfy s ARG 59 Cb -0.10 -0.60 1.11 0.00 0.52 0.00 0.00 34.95 35.87 3dfy s ARG 59 CO 0.37 -0.08 1.82 -0.24 0.02 0.00 0.00 175.30 177.20 3dfy h VAL 60 N 6.03 0.61 -0.08 3.52 3.04 -1.94 -0.21 116.25 127.22 3dfy h VAL 60 Ca -0.39 -0.13 -0.12 0.00 -1.01 0.00 0.00 66.70 65.04 3dfy h VAL 60 Cb 1.15 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 3dfy h VAL 60 CO 0.48 0.07 -0.49 -0.33 -1.01 0.00 0.00 177.57 176.29 3dfy h GLU 61 N 0.39 0.21 -0.30 4.17 3.07 -1.98 -2.62 114.58 117.53 3dfy h GLU 61 Ca 0.52 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 59.13 3dfy h GLU 61 Cb 1.34 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 3dfy h GLU 61 CO -0.21 0.66 -0.36 0.00 -1.40 0.00 0.00 179.01 177.69 3dfy h ALA 62 N 1.32 0.80 -0.03 3.43 0.00 -1.47 -2.05 119.26 121.26 3dfy h ALA 62 Ca 0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3dfy h ALA 62 Cb 0.93 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3dfy h ALA 62 CO 0.07 0.65 0.01 -0.07 0.00 0.00 0.00 179.25 179.91 3dfy h LEU 63 N 0.57 0.05 -1.13 0.00 4.07 -1.29 -3.01 115.31 114.56 3dfy h LEU 63 Ca 0.05 -0.21 0.06 0.00 0.08 0.00 0.00 57.88 57.87 3dfy h LEU 63 Cb 0.89 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.56 3dfy h LEU 63 CO 0.08 0.24 0.59 -0.07 -1.08 0.00 0.00 178.44 178.20 3dfy h LEU 64 N -0.15 0.93 -2.47 1.67 3.38 -1.41 -2.46 115.31 114.80 3dfy h LEU 64 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dfy h LEU 64 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dfy h LEU 64 CO -0.00 0.60 -0.02 0.00 0.09 0.00 0.00 178.44 179.11 3dfy h ALA 65 N 1.50 1.08 -0.58 1.53 0.00 -1.23 -2.95 119.26 118.61 3dfy h ALA 65 Ca 0.39 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3dfy h ALA 65 Cb 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3dfy h ALA 65 CO -0.14 0.02 0.07 0.44 0.00 0.00 0.00 179.25 179.63 3dfy n ILE 66 N -3.22 2.76 -0.14 0.00 -5.35 -0.93 -4.63 119.36 107.85 3dfy n ILE 66 Ca -0.02 -1.55 -0.03 0.00 -0.27 0.00 0.00 62.75 60.88 3dfy n ILE 66 Cb 0.15 -0.30 0.05 0.00 -1.74 0.00 0.00 39.64 37.80 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 3.36 0.18 -0.99 6.28 4.81 -1.66 -1.63 114.58 124.93 3dfy h GLU 67 Ca 0.07 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3dfy h GLU 67 Cb 2.01 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.30 3dfy h GLU 67 CO 0.52 0.12 0.66 -0.91 -0.73 0.00 0.00 179.01 178.67 3dfy h ASN 68 N 0.18 1.14 -0.41 1.04 2.35 -1.88 -1.16 115.58 116.84 3dfy h ASN 68 Ca 0.23 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dfy h ASN 68 Cb 0.31 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3dfy h ASN 68 CO -0.33 0.83 0.24 0.00 -1.65 0.00 0.00 177.43 176.53 3dfy h ALA 69 N 1.38 0.53 -0.46 -0.83 0.00 -1.67 -0.46 119.26 117.75 3dfy h ALA 69 Ca 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3dfy h ALA 69 Cb -0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3dfy h ALA 69 CO -0.08 0.02 0.21 0.28 0.00 0.00 0.00 179.25 179.69 3dfy h VAL 70 N 0.54 1.19 -0.29 0.00 2.07 -0.98 -0.74 116.25 118.04 3dfy h VAL 70 Ca 0.15 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3dfy h VAL 70 Cb 0.01 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3dfy h VAL 70 CO -0.03 0.21 0.05 -0.09 0.02 0.00 0.00 177.57 177.73 3dfy h ARG 71 N 0.60 0.15 -0.25 1.57 2.43 -0.97 -1.98 114.38 115.93 3dfy h ARG 71 Ca 0.16 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3dfy h ARG 71 Cb 0.14 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3dfy h ARG 71 CO -0.02 0.10 0.00 1.49 -1.51 0.00 0.00 179.97 180.03 3dfy h GLU 72 N 0.15 0.36 -0.50 0.20 4.22 -0.81 -0.80 114.58 117.41 3dfy h GLU 72 Ca 0.14 -0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.39 3dfy h GLU 72 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3dfy h GLU 72 CO -0.19 0.39 -0.17 0.52 -2.18 0.00 0.00 179.01 177.38 3dfy h MET 73 N 0.36 1.00 -0.00 1.92 2.86 -0.38 -3.37 114.93 117.31 3dfy h MET 73 Ca 0.08 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3dfy h MET 73 Cb 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3dfy h MET 73 CO 0.01 1.09 -0.11 0.44 1.06 0.00 0.00 176.91 179.39 3dfy n ILE 74 N -4.14 0.00 -1.94 -1.22 -5.35 -1.02 -5.00 119.36 100.69 3dfy n ILE 74 Ca 0.00 -0.45 -0.41 0.00 -0.27 0.00 0.00 62.75 61.63 3dfy n ILE 74 Cb 0.43 1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 3dfy n ILE 74 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3dfy s THR 75 N -0.97 2.43 0.00 7.28 2.01 -0.32 -2.43 115.64 123.64 3dfy s THR 75 Ca 0.03 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.41 3dfy s THR 75 Cb 0.03 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.29 3dfy s THR 75 CO 0.11 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 3dfy n GLY 76 N 1.62 0.87 3.79 4.40 0.00 0.30 -4.97 105.19 111.20 3dfy n GLY 76 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.33 5.03 0.13 -0.61 1.01 -1.02 -4.68 121.20 118.74 3dfy s ILE 77 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 3dfy s ILE 77 Cb 0.00 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 3dfy s ILE 77 CO 0.00 0.48 1.11 -0.62 0.00 0.00 0.00 174.94 175.91 3dfy s ASP 78 N -0.44 7.23 0.22 3.58 -1.08 -1.26 -1.19 116.67 123.72 3dfy s ASP 78 Ca 0.25 2.03 0.19 0.00 -0.52 0.00 0.00 52.55 54.50 3dfy s ASP 78 Cb -0.17 -2.59 0.89 0.00 -1.46 0.00 0.00 42.92 39.59 3dfy s ASP 78 CO 0.13 -0.29 1.58 1.33 0.52 0.00 0.00 175.17 178.45 3dfy n VAL 79 N 2.91 1.05 0.83 1.11 0.24 -1.26 -1.04 118.33 122.17 3dfy n VAL 79 Ca 0.05 0.42 0.11 0.00 -2.04 0.00 0.00 64.34 62.88 3dfy n VAL 79 Cb 0.47 -1.36 0.51 0.00 -1.47 0.00 0.00 33.84 31.98 3dfy n VAL 79 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3dfy n ARG 80 N -2.07 0.03 -1.74 7.34 1.85 -1.26 -1.95 116.66 118.88 3dfy n ARG 80 Ca 0.01 0.10 -0.30 0.00 -1.00 0.00 0.00 57.85 56.65 3dfy n ARG 80 Cb 0.13 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.48 6.34 -0.01 2.89 3.02 -0.21 -4.80 115.26 121.01 3dfy n ASN 81 Ca 0.06 -3.77 0.22 0.00 -0.03 0.00 0.00 54.58 51.06 3dfy n ASN 81 Cb 0.26 -0.68 0.72 0.00 -0.61 0.00 0.00 39.78 39.47 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 2.18 0.00 0.00 3.10 -0.00 -1.53 0.12 116.97 120.84 3dfy h TYR 82 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.21 3dfy h TYR 82 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.80 3dfy h TYR 82 CO 1.13 0.00 -0.04 0.00 -0.00 0.00 0.00 178.16 179.25 3dfy h ALA 83 N 1.65 1.75 -0.12 0.10 0.00 -1.88 0.16 119.26 120.92 3dfy h ALA 83 Ca 0.27 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 3dfy h ALA 83 Cb 1.14 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3dfy h ALA 83 CO -0.00 0.05 -0.53 0.00 0.00 0.00 0.00 179.25 178.77 3dfy h ARG 84 N 0.00 0.57 -0.74 0.00 3.08 -1.15 -1.49 114.38 114.65 3dfy h ARG 84 Ca -0.00 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 3dfy h ARG 84 Cb 0.08 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3dfy h ARG 84 CO 0.01 1.08 0.35 0.82 -1.07 0.00 0.00 179.97 181.16 3dfy h ILE 85 N 0.20 1.24 -0.39 2.04 2.04 -1.27 -1.36 117.51 120.01 3dfy h ILE 85 Ca -0.03 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3dfy h ILE 85 Cb 1.17 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3dfy h ILE 85 CO 0.11 0.28 0.13 -0.26 0.00 0.00 0.00 178.15 178.42 3dfy h PHE 86 N 1.06 0.61 -0.54 1.37 -1.00 -0.65 -0.46 116.94 117.33 3dfy h PHE 86 Ca 0.26 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.94 3dfy h PHE 86 Cb 0.12 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 3dfy h PHE 86 CO 0.01 0.57 0.16 1.49 -1.61 0.00 0.00 178.31 178.93 3dfy h GLU 87 N 0.48 0.84 -0.23 1.51 4.81 -0.86 -1.83 114.58 119.31 3dfy h GLU 87 Ca 0.13 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3dfy h GLU 87 Cb 0.23 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3dfy h GLU 87 CO -0.01 0.77 0.04 0.82 -0.73 0.00 0.00 179.01 179.91 3dfy h ILE 88 N 0.75 1.22 0.00 2.32 2.04 -1.15 -2.85 117.51 119.84 3dfy h ILE 88 Ca 0.17 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3dfy h ILE 88 Cb 0.29 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3dfy h ILE 88 CO -0.00 0.23 0.00 0.35 0.00 0.00 0.00 178.15 178.73 3dfy n THR 89 N -4.72 0.86 0.31 -0.27 -2.24 -0.19 -1.70 114.28 106.33 3dfy n THR 89 Ca -0.04 0.21 0.16 0.00 -2.27 0.00 0.00 64.05 62.12 3dfy n THR 89 Cb 0.19 -1.08 0.69 0.00 -2.10 0.00 0.00 70.33 68.03 3dfy n THR 89 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dfy h ASP 90 N 0.00 0.00 0.64 3.42 3.32 -1.08 -1.23 116.42 121.49 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 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 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 -2.80 0.10 -1.21 3.56 1.74 -0.69 -2.98 116.66 114.38 3dfy n ARG 91 Ca 0.01 0.32 -0.23 0.00 -0.77 0.00 0.00 57.85 57.18 3dfy n ARG 91 Cb 0.24 -1.68 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.86 6.53 0.09 0.55 4.77 -0.47 -4.57 117.00 122.04 3dfy n LEU 92 Ca 0.03 -3.72 0.10 0.00 -0.03 0.00 0.00 56.01 52.38 3dfy n LEU 92 Cb 0.21 -1.14 0.42 0.00 -2.33 0.00 0.00 43.42 40.57 3dfy n LEU 92 CO 0.17 1.49 0.79 2.22 -1.33 0.00 0.00 177.39 180.73 3dfy n PHE 93 N 0.55 0.51 0.72 -1.77 1.16 -1.16 -1.21 117.46 116.27 3dfy n PHE 93 Ca 0.41 0.21 0.12 0.00 -1.87 0.00 0.00 57.45 56.32 3dfy n PHE 93 Cb 0.57 -0.84 0.23 0.00 -1.61 0.00 0.00 39.48 37.83 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 -0.22 -1.38 2.60 4.97 0.00 -1.26 -4.07 105.19 105.83 3dfy n GLY 94 Ca 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.90 2.42 -0.22 1.61 3.72 -0.35 -4.75 117.46 118.00 3dfy n PHE 95 Ca 0.04 -3.62 0.16 0.00 -0.05 0.00 0.00 57.45 53.98 3dfy n PHE 95 Cb 0.40 -0.38 0.47 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 2.91 0.47 -0.54 -1.08 0.13 -1.68 -0.59 132.00 131.62 3dfy h PRO 96 Ca 0.12 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 3dfy h PRO 96 Cb 0.81 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 3dfy h PRO 96 CO 0.69 0.31 0.08 0.66 -0.23 0.00 0.00 178.00 179.50 3dfy h SER 97 N 0.48 0.82 0.33 1.44 4.64 -1.81 -0.68 113.55 118.76 3dfy h SER 97 Ca 0.42 -0.17 -0.21 0.00 -0.47 0.00 0.00 61.79 61.35 3dfy h SER 97 Cb 0.92 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3dfy h SER 97 CO -0.16 0.84 -0.89 0.25 -0.87 0.00 0.00 176.83 176.00 3dfy h LEU 98 N 0.82 0.51 -0.45 5.97 5.85 -1.56 -2.01 115.31 124.44 3dfy h LEU 98 Ca 0.17 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3dfy h LEU 98 Cb 0.38 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3dfy h LEU 98 CO 0.01 1.18 0.20 0.50 -0.34 0.00 0.00 178.44 179.99 3dfy h LYS 99 N 0.24 0.39 0.13 1.25 3.64 -0.73 -0.17 116.57 121.31 3dfy h LYS 99 Ca -0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3dfy h LYS 99 Cb 1.51 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3dfy h LYS 99 CO 0.15 0.25 -0.06 0.00 -2.27 0.00 0.00 179.45 177.53 3dfy h ALA 100 N 1.26 -0.17 -0.92 5.00 0.00 -1.06 -1.70 119.26 121.67 3dfy h ALA 100 Ca 0.20 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3dfy h ALA 100 Cb 0.15 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3dfy h ALA 100 CO -0.17 -0.55 0.59 0.00 0.00 0.00 0.00 179.25 179.12 3dfy h ALA 101 N 0.60 1.24 -0.30 0.00 0.00 -0.97 -0.55 119.26 119.28 3dfy h ALA 101 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3dfy h ALA 101 Cb 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dfy h ALA 101 CO 0.03 0.42 -0.44 0.28 0.00 0.00 0.00 179.25 179.53 3dfy h VAL 102 N 1.12 1.29 -0.49 0.00 2.07 -0.96 -1.21 116.25 118.07 3dfy h VAL 102 Ca 0.38 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 3dfy h VAL 102 Cb 0.07 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3dfy h VAL 102 CO -0.14 0.53 0.05 1.56 0.02 0.00 0.00 177.57 179.58 3dfy h GLN 103 N 0.59 0.83 -0.18 1.57 4.20 -0.98 -1.68 115.11 119.47 3dfy h GLN 103 Ca 0.03 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 3dfy h GLN 103 Cb 1.04 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 3dfy h GLN 103 CO 0.10 0.85 -0.13 0.35 -0.67 0.00 0.00 178.83 179.33 3dfy h PHE 104 N 0.69 0.48 -1.00 2.96 3.57 -1.13 -2.48 116.94 120.03 3dfy h PHE 104 Ca 0.14 -0.13 0.21 0.00 3.53 0.00 0.00 57.97 61.72 3dfy h PHE 104 Cb 0.44 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 38.97 3dfy h PHE 104 CO 0.03 0.75 0.61 0.00 -2.23 0.00 0.00 178.31 177.47 3dfy h ALA 105 N 0.66 1.73 -0.49 2.41 0.00 -1.13 0.38 119.26 122.81 3dfy h ALA 105 Ca 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3dfy h ALA 105 Cb 0.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3dfy h ALA 105 CO 0.03 -0.14 0.27 1.15 0.00 0.00 0.00 179.25 180.57 3dfy h THR 106 N 0.69 1.17 -0.03 0.00 2.02 -1.03 -1.35 112.91 114.38 3dfy h THR 106 Ca 0.60 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 3dfy h THR 106 Cb 1.02 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3dfy h THR 106 CO -0.41 0.18 -0.58 -0.07 0.37 0.00 0.00 175.52 175.01 3dfy h LEU 107 N 0.65 0.10 -0.32 2.58 3.38 -0.25 -1.23 115.31 120.23 3dfy h LEU 107 Ca 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3dfy h LEU 107 Cb 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3dfy h LEU 107 CO -0.03 0.66 0.13 -0.78 0.09 0.00 0.00 178.44 178.51 3dfy h ASP 108 N 0.07 0.44 -0.11 -0.43 3.58 -0.02 0.16 116.42 120.11 3dfy h ASP 108 Ca -0.00 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 3dfy h ASP 108 Cb 1.04 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 3dfy h ASP 108 CO 0.08 0.48 -0.03 0.00 -2.88 0.00 0.00 179.24 176.90 3dfy h ALA 109 N 0.97 0.15 -0.61 -0.78 0.00 -1.15 -2.85 119.26 114.99 3dfy h ALA 109 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dfy h ALA 109 Cb 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3dfy h ALA 109 CO -0.01 -0.11 0.38 1.25 0.00 0.00 0.00 179.25 180.77 3dfy h LEU 110 N -0.11 0.63 -0.94 0.00 5.85 -1.10 -2.02 115.31 117.62 3dfy h LEU 110 Ca 0.03 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3dfy h LEU 110 Cb 0.45 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3dfy h LEU 110 CO 0.01 0.45 0.62 0.77 -0.34 0.00 0.00 178.44 179.95 3dfy h SER 111 N 0.76 1.06 -0.80 1.25 4.64 -0.69 -0.12 113.55 119.66 3dfy h SER 111 Ca 0.24 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 3dfy h SER 111 Cb -0.01 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.79 3dfy h SER 111 CO -0.09 0.76 0.35 1.56 -0.87 0.00 0.00 176.83 178.55 3dfy h GLN 112 N 1.25 1.16 0.00 4.77 4.20 -1.20 0.14 115.11 125.44 3dfy h GLN 112 Ca 0.35 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3dfy h GLN 112 Cb -0.12 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.46 3dfy h GLN 112 CO -0.08 0.92 0.00 0.93 -0.67 0.00 0.00 178.83 179.93 3dfy h GLU 113 N 1.14 0.00 -0.01 1.46 5.08 -0.58 -2.30 114.58 119.36 3dfy h GLU 113 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3dfy h GLU 113 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3dfy h GLU 113 CO -0.03 0.00 -0.25 1.28 -1.00 0.00 0.00 179.01 179.01 3dfy n LEU 114 N -3.00 1.58 -0.27 1.33 4.77 -0.15 -4.94 117.00 116.32 3dfy n LEU 114 Ca 0.02 -0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 55.45 3dfy n LEU 114 Cb 0.36 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3dfy n LEU 114 CO 0.28 0.28 -0.03 0.61 -1.33 0.00 0.00 177.39 177.21 3dfy n GLY 115 N 1.33 0.49 0.00 -0.72 0.00 -0.46 -5.02 105.19 100.82 3dfy n GLY 115 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.26 0.00 -4.48 2.61 5.66 0.37 -5.01 114.28 110.16 3dfy n THR 116 Ca -0.03 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.73 3dfy n THR 116 Cb 0.24 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.92 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 0.65 1.70 0.19 1.09 -0.21 -1.26 -3.94 119.66 117.87 3dfy s GLN 117 Ca 0.00 -1.80 -0.12 0.00 0.02 0.00 0.00 55.36 53.45 3dfy s GLN 117 Cb 0.00 -1.74 0.11 0.00 1.00 0.00 0.00 33.01 32.38 3dfy s GLN 117 CO 0.00 0.28 1.85 0.28 -2.12 0.00 0.00 175.29 175.59 3dfy h VAL 118 N 2.22 1.15 -0.84 1.09 2.07 -1.93 -2.37 116.25 117.64 3dfy h VAL 118 Ca -0.40 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 66.94 3dfy h VAL 118 Cb 1.26 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 3dfy h VAL 118 CO 0.62 0.15 0.47 0.00 0.02 0.00 0.00 177.57 178.84 3dfy h TYR 120 N 0.75 0.69 0.00 0.00 0.05 -1.84 -0.03 116.97 116.60 3dfy h TYR 120 Ca 0.42 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 3dfy h TYR 120 Cb 0.46 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 3dfy h TYR 120 CO -0.07 0.95 -0.07 1.25 -1.05 0.00 0.00 178.16 179.17 3dfy h LEU 121 N 0.44 0.00 -1.15 3.88 5.85 -0.73 -1.18 115.31 122.42 3dfy h LEU 121 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3dfy h LEU 121 Cb 1.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3dfy h LEU 121 CO 0.10 0.07 0.00 0.18 -0.34 0.00 0.00 178.44 178.45 3dfy n LEU 122 N -4.36 1.77 0.00 2.25 4.77 -0.36 -4.92 117.00 116.15 3dfy n LEU 122 Ca -0.03 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3dfy n LEU 122 Cb 0.15 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3dfy n LEU 122 CO 0.34 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3dfy n GLY 123 N 1.20 1.52 4.14 -0.72 0.00 -0.45 -3.96 105.19 106.92 3dfy n GLY 123 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.44 0.22 -0.02 0.00 -0.07 -4.86 105.19 100.02 3dfy n GLY 124 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.65 0.71 -5.81 1.61 1.63 -0.98 -3.45 116.57 108.62 3dfy h LYS 125 Ca -0.59 -0.13 -0.50 0.00 -0.85 0.00 0.00 60.65 58.58 3dfy h LYS 125 Cb 1.38 -0.11 -0.16 0.00 -0.60 0.00 0.00 32.23 32.74 3dfy h LYS 125 CO 0.75 0.64 -0.76 1.03 -3.45 0.00 0.00 179.45 177.66 3dfy s ARG 126 N -5.54 1.34 -0.00 1.90 0.52 -0.42 -4.97 118.95 111.78 3dfy s ARG 126 Ca -0.13 -1.52 0.15 0.00 -0.52 0.00 0.00 55.73 53.72 3dfy s ARG 126 Cb 0.11 -1.29 -0.18 0.00 0.52 0.00 0.00 34.95 34.11 3dfy s ARG 126 CO 0.77 0.24 0.61 -0.25 0.02 0.00 0.00 175.30 176.69 3dfy n ASP 127 N -0.07 0.82 -3.66 0.23 8.00 -1.26 -4.61 116.55 116.01 3dfy n ASP 127 Ca -0.10 -0.74 -0.15 0.00 0.71 0.00 0.00 54.79 54.51 3dfy n ASP 127 Cb 0.59 1.11 -0.08 0.00 -0.02 0.00 0.00 41.12 42.72 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 -2.56 0.76 0.14 -1.24 2.12 -1.26 -3.85 118.70 112.81 3dfy s GLU 128 Ca 0.04 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.67 3dfy s GLU 128 Cb 0.11 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.82 3dfy s GLU 128 CO 0.64 -0.19 -0.04 0.96 -0.54 0.00 0.00 175.26 176.10 3dfy s ILE 129 N -0.70 0.74 -0.09 -3.70 -4.36 -0.30 -4.98 121.20 107.82 3dfy s ILE 129 Ca -0.08 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.37 3dfy s ILE 129 Cb -0.03 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.77 3dfy s ILE 129 CO 0.05 -0.66 -0.17 -0.70 0.24 0.00 0.00 174.94 173.69 3dfy s GLU 130 N -3.86 2.33 0.25 0.37 2.12 -1.26 -1.14 118.70 117.50 3dfy s GLU 130 Ca 0.18 -0.63 0.05 0.00 0.36 0.00 0.00 54.97 54.94 3dfy s GLU 130 Cb 0.05 -1.85 -0.03 0.00 0.26 0.00 0.00 34.13 32.56 3dfy s GLU 130 CO 0.00 0.07 0.34 -0.08 -0.54 0.00 0.00 175.26 175.06 3dfy s THR 131 N 0.60 5.06 0.41 -1.70 -1.32 0.21 -3.79 115.64 115.11 3dfy s THR 131 Ca -0.15 -1.05 0.04 0.00 -1.21 0.00 0.00 61.69 59.32 3dfy s THR 131 Cb -0.16 -3.76 0.08 0.00 -1.51 0.00 0.00 72.50 67.14 3dfy s THR 131 CO 0.05 -0.32 0.57 -0.90 -2.21 0.00 0.00 174.62 171.81 3dfy n ASP 132 N -1.39 1.16 -3.95 8.08 5.68 -0.31 -4.73 116.55 121.09 3dfy n ASP 132 Ca -0.08 -1.89 -0.11 0.00 -0.50 0.00 0.00 54.79 52.21 3dfy n ASP 132 Cb 0.57 -0.33 -0.12 0.00 -1.14 0.00 0.00 41.12 40.10 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 -3.88 0.22 0.02 0.11 2.20 -1.12 -4.48 119.74 112.82 3dfy s LYS 133 Ca 0.41 -0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.50 3dfy s LYS 133 Cb -0.03 0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.25 3dfy s LYS 133 CO 0.26 -0.02 0.41 0.99 -0.36 0.00 0.00 175.35 176.64 3dfy s THR 134 N -0.87 5.03 -0.43 3.43 2.01 -1.26 -1.50 115.64 122.05 3dfy s THR 134 Ca -0.09 0.77 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 3dfy s THR 134 Cb -0.06 -3.70 0.12 0.00 0.01 0.00 0.00 72.50 68.86 3dfy s THR 134 CO -0.01 0.51 0.24 -0.69 -0.69 0.00 0.00 174.62 173.98 3dfy s VAL 135 N -1.16 3.39 1.17 3.82 1.01 0.10 -4.96 120.40 123.78 3dfy s VAL 135 Ca 0.26 -2.13 -0.18 0.00 0.00 0.00 0.00 61.98 59.94 3dfy s VAL 135 Cb -0.16 -3.31 0.27 0.00 0.00 0.00 0.00 36.38 33.19 3dfy s VAL 135 CO 0.15 -0.72 1.10 -0.83 0.00 0.00 0.00 175.10 174.80 3dfy s GLY 136 N 1.77 1.57 0.28 4.51 0.00 -1.26 -2.07 107.32 112.12 3dfy s GLY 136 Ca 0.09 -0.81 -0.29 0.00 0.00 0.00 0.00 44.72 43.70 3dfy s GLY 136 CO -0.04 0.02 1.14 -0.42 0.00 0.00 0.00 173.10 173.81 3dfy s ILE 137 N -2.95 3.34 0.00 0.90 1.01 -1.26 -4.74 121.20 117.50 3dfy s ILE 137 Ca 0.70 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.68 3dfy s ILE 137 Cb -0.12 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3dfy s ILE 137 CO 0.57 0.31 0.00 -0.67 0.00 0.00 0.00 174.94 175.15 3dfy n ASP 138 N 1.19 0.00 -4.80 3.58 -0.08 -1.26 -5.05 116.55 110.13 3dfy n ASP 138 Ca -0.01 -0.66 -0.33 0.00 -1.51 0.00 0.00 54.79 52.28 3dfy n ASP 138 Cb 0.44 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.89 3dfy n ASP 138 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dfy s THR 139 N -2.46 3.83 0.26 5.18 -4.23 -1.26 -4.81 115.64 112.15 3dfy s THR 139 Ca 0.00 0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 61.47 3dfy s THR 139 Cb 0.00 -3.42 0.26 0.00 1.34 0.00 0.00 72.50 70.67 3dfy s THR 139 CO 0.00 -0.41 1.70 0.58 -0.54 0.00 0.00 174.62 175.94 3dfy h VAL 140 N 0.88 0.52 -0.40 2.29 2.07 -1.99 -0.29 116.25 119.33 3dfy h VAL 140 Ca -0.48 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3dfy h VAL 140 Cb 1.22 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3dfy h VAL 140 CO 0.58 0.06 0.18 -0.33 0.02 0.00 0.00 177.57 178.08 3dfy h GLU 141 N 0.36 0.35 -0.14 1.57 5.08 -2.00 -0.28 114.58 119.52 3dfy h GLU 141 Ca 0.48 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.72 3dfy h GLU 141 Cb 0.85 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3dfy h GLU 141 CO -0.51 0.23 -0.34 -0.91 -1.00 0.00 0.00 179.01 176.49 3dfy h ASN 142 N 0.36 0.29 -0.18 1.42 2.35 -1.57 -1.70 115.58 116.55 3dfy h ASN 142 Ca 0.18 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3dfy h ASN 142 Cb 0.12 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3dfy h ASN 142 CO -0.15 0.62 0.06 0.03 -1.65 0.00 0.00 177.43 176.33 3dfy h ARG 143 N 0.25 0.28 -0.18 0.81 3.08 -0.23 -0.20 114.38 118.18 3dfy h ARG 143 Ca 0.03 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3dfy h ARG 143 Cb 0.72 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3dfy h ARG 143 CO 0.06 0.39 -0.20 0.28 -1.07 0.00 0.00 179.97 179.43 3dfy h VAL 144 N 0.12 1.23 -0.43 2.04 2.07 -0.96 -0.50 116.25 119.82 3dfy h VAL 144 Ca 0.06 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 3dfy h VAL 144 Cb 0.22 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3dfy h VAL 144 CO -0.00 0.32 -0.11 0.50 0.02 0.00 0.00 177.57 178.30 3dfy h LYS 145 N 0.29 0.84 -0.13 1.57 1.63 -0.98 -1.30 116.57 118.50 3dfy h LYS 145 Ca 0.05 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 3dfy h LYS 145 Cb 0.52 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3dfy h LYS 145 CO 0.03 0.96 0.03 0.93 -3.45 0.00 0.00 179.45 177.95 3dfy h GLU 146 N 0.67 0.20 -0.61 1.90 5.08 -0.71 -2.25 114.58 118.86 3dfy h GLU 146 Ca 0.11 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 3dfy h GLU 146 Cb 0.65 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.79 3dfy h GLU 146 CO 0.04 0.38 0.12 0.00 -1.00 0.00 0.00 179.01 178.55 3dfy h ALA 147 N 0.82 0.72 0.14 3.43 0.00 -0.97 0.12 119.26 123.51 3dfy h ALA 147 Ca 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dfy h ALA 147 Cb 0.27 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dfy h ALA 147 CO 0.00 -0.32 -0.07 0.87 0.00 0.00 0.00 179.25 179.73 3dfy h LYS 148 N 0.24 -0.18 -0.96 0.00 1.57 -1.11 0.17 116.57 116.30 3dfy h LYS 148 Ca 0.33 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 3dfy h LYS 148 Cb 0.50 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 3dfy h LYS 148 CO -0.43 -0.05 0.63 -0.22 -0.57 0.00 0.00 179.45 178.82 3dfy h LYS 149 N -0.28 1.18 -0.07 3.15 3.11 -0.82 0.36 116.57 123.20 3dfy h LYS 149 Ca -0.02 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 3dfy h LYS 149 Cb 0.22 -0.27 -0.00 0.00 -1.00 0.00 0.00 32.23 31.18 3dfy h LYS 149 CO 0.03 0.78 -0.02 0.82 -2.81 0.00 0.00 179.45 178.26 3dfy h ILE 150 N 1.21 1.29 -0.79 2.00 2.04 -0.56 -1.82 117.51 120.89 3dfy h ILE 150 Ca 0.38 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3dfy h ILE 150 Cb 0.01 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3dfy h ILE 150 CO -0.12 0.25 0.52 0.15 0.00 0.00 0.00 178.15 178.95 3dfy h PHE 151 N -0.20 0.99 0.00 1.37 3.57 -0.24 -1.70 116.94 120.73 3dfy h PHE 151 Ca 0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3dfy h PHE 151 Cb 0.41 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 3dfy h PHE 151 CO 0.05 0.63 -0.16 1.49 -2.23 0.00 0.00 178.31 178.09 3dfy h GLU 152 N 1.07 0.00 0.00 1.11 4.81 -0.21 -1.77 114.58 119.59 3dfy h GLU 152 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3dfy h GLU 152 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3dfy h GLU 152 CO -0.06 0.16 0.00 0.39 -0.73 0.00 0.00 179.01 178.77 3dfy n GLU 153 N -4.31 0.43 0.00 1.92 1.02 -0.65 -4.89 120.64 114.17 3dfy n GLU 153 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3dfy n GLU 153 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.83 0.66 3.71 0.62 0.00 -0.67 -4.79 105.19 105.57 3dfy n GLY 154 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.05 -0.97 1.61 0.08 -1.17 -4.81 117.98 113.77 3dfy s PHE 155 Ca 0.00 0.82 0.10 0.00 0.12 0.00 0.00 56.93 57.96 3dfy s PHE 155 Cb 0.00 -3.74 0.22 0.00 -0.57 0.00 0.00 43.02 38.93 3dfy s PHE 155 CO 0.00 -2.68 1.11 0.54 -0.10 0.00 0.00 175.22 174.09 3dfy n ARG 156 N 4.42 2.16 -3.84 0.44 5.12 -1.26 -4.45 116.66 119.25 3dfy n ARG 156 Ca 0.13 -1.74 -0.26 0.00 -1.93 0.00 0.00 57.85 54.05 3dfy n ARG 156 Cb 0.42 -1.23 -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 -0.95 0.77 -0.18 1.55 1.01 -1.26 0.28 120.40 121.62 3dfy s VAL 157 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3dfy s VAL 157 Cb 0.10 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3dfy s VAL 157 CO 0.14 0.23 -0.18 -0.63 0.00 0.00 0.00 175.10 174.66 3dfy s ILE 158 N 1.80 2.23 -0.17 2.22 1.01 -0.18 -2.77 121.20 125.34 3dfy s ILE 158 Ca 0.04 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 3dfy s ILE 158 Cb -0.13 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3dfy s ILE 158 CO -0.07 0.53 0.67 -0.75 0.00 0.00 0.00 174.94 175.32 3dfy s LYS 159 N 1.27 4.27 -0.22 2.79 2.20 -0.56 -2.16 119.74 127.33 3dfy s LYS 159 Ca 0.04 0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 56.34 3dfy s LYS 159 Cb -0.13 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3dfy s LYS 159 CO -0.11 -0.20 -0.03 0.42 -0.36 0.00 0.00 175.35 175.07 3dfy s ILE 160 N 1.74 3.43 -0.01 5.43 1.01 0.12 -0.72 121.20 132.20 3dfy s ILE 160 Ca 0.32 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.22 3dfy s ILE 160 Cb -0.16 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3dfy s ILE 160 CO 0.12 0.41 0.80 -0.54 0.00 0.00 0.00 174.94 175.73 3dfy s LYS 161 N 1.49 4.50 0.00 2.79 1.02 -0.88 -1.78 119.74 126.87 3dfy s LYS 161 Ca 0.06 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.15 3dfy s LYS 161 Cb -0.14 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 3dfy s LYS 161 CO -0.03 0.10 0.00 1.33 -0.92 0.00 0.00 175.35 175.83 3dfy n VAL 162 N 3.51 0.00 0.00 3.17 0.24 -0.76 -4.34 118.33 120.15 3dfy n VAL 162 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 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 0.89 0.00 7.63 0.00 -1.26 -4.19 105.19 108.27 3dfy n GLY 163 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3dfy n GLY 163 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dfy n GLU 164 N 0.00 0.05 -3.24 1.61 0.28 -1.26 -4.22 120.64 113.86 3dfy n GLU 164 Ca 0.00 -0.01 -0.11 0.00 -0.16 0.00 0.00 57.16 56.87 3dfy n GLU 164 Cb 0.00 -1.51 -0.05 0.00 1.43 0.00 0.00 31.44 31.32 3dfy n GLU 164 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3dfy s ASN 165 N -3.13 0.12 0.21 -1.84 3.84 -1.26 -5.05 114.94 107.84 3dfy s ASN 165 Ca 0.07 -1.55 -0.19 0.00 0.21 0.00 0.00 52.86 51.40 3dfy s ASN 165 Cb 0.16 1.02 0.19 0.00 -0.55 0.00 0.00 41.25 42.07 3dfy s ASN 165 CO 0.84 -0.20 1.56 0.25 -2.79 0.00 0.00 177.10 176.77 3dfy h LEU 166 N 6.61 -1.37 -0.28 3.21 5.85 -1.99 0.35 115.31 127.69 3dfy h LEU 166 Ca 0.07 0.29 0.04 0.00 0.84 0.00 0.00 57.88 59.12 3dfy h LEU 166 Cb 1.08 0.71 -0.04 0.00 0.37 0.00 0.00 40.66 42.78 3dfy h LEU 166 CO 0.16 -0.29 0.05 0.50 -0.34 0.00 0.00 178.44 178.52 3dfy h LYS 167 N -0.06 0.14 -0.31 1.25 3.64 -2.00 -1.81 116.57 117.43 3dfy h LYS 167 Ca 0.30 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.50 3dfy h LYS 167 Cb 0.58 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3dfy h LYS 167 CO -0.89 0.10 -0.51 0.93 -2.27 0.00 0.00 179.45 176.81 3dfy h GLU 168 N 0.15 0.89 -0.74 1.90 5.08 -1.74 -2.84 114.58 117.28 3dfy h GLU 168 Ca 0.13 -0.54 0.09 0.00 -1.00 0.00 0.00 59.36 58.04 3dfy h GLU 168 Cb 0.14 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 3dfy h GLU 168 CO -0.18 1.18 0.39 -0.44 -1.00 0.00 0.00 179.01 178.97 3dfy h ASP 169 N 0.69 0.55 -0.70 1.42 3.32 -0.06 0.91 116.42 122.54 3dfy h ASP 169 Ca 0.03 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3dfy h ASP 169 Cb 1.12 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3dfy h ASP 169 CO 0.12 0.32 0.25 0.40 -1.72 0.00 0.00 179.24 178.61 3dfy h ILE 170 N 0.68 1.25 -0.06 0.35 2.04 -1.33 -0.92 117.51 119.52 3dfy h ILE 170 Ca 0.35 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3dfy h ILE 170 Cb 0.32 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3dfy h ILE 170 CO -0.24 0.33 0.00 -0.08 0.00 0.00 0.00 178.15 178.16 3dfy h GLU 171 N 1.06 0.10 -0.32 2.37 4.81 -0.69 -2.57 114.58 119.34 3dfy h GLU 171 Ca 0.24 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3dfy h GLU 171 Cb 0.26 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3dfy h GLU 171 CO -0.01 0.37 -0.04 0.00 -0.73 0.00 0.00 179.01 178.59 3dfy h ALA 172 N 0.73 0.25 -0.56 2.92 0.00 0.11 -0.97 119.26 121.73 3dfy h ALA 172 Ca 0.02 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dfy h ALA 172 Cb 0.32 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3dfy h ALA 172 CO 0.00 -0.44 0.35 0.28 0.00 0.00 0.00 179.25 179.45 3dfy h VAL 173 N 0.04 1.10 -0.12 0.00 2.07 -1.17 0.15 116.25 118.33 3dfy h VAL 173 Ca 0.15 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3dfy h VAL 173 Cb 0.22 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3dfy h VAL 173 CO -0.29 0.13 0.07 -0.08 0.02 0.00 0.00 177.57 177.42 3dfy h GLU 174 N 0.71 0.17 -0.79 1.57 4.81 -1.02 0.28 114.58 120.31 3dfy h GLU 174 Ca 0.21 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3dfy h GLU 174 Cb -0.03 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3dfy h GLU 174 CO -0.07 0.16 0.34 0.93 -0.73 0.00 0.00 179.01 179.65 3dfy h GLU 175 N 0.13 1.16 -0.70 1.92 4.39 -0.93 -1.72 114.58 118.83 3dfy h GLU 175 Ca 0.04 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 3dfy h GLU 175 Cb 0.04 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 3dfy h GLU 175 CO -0.01 0.92 0.17 0.82 -1.16 0.00 0.00 179.01 179.75 3dfy h ILE 176 N 1.13 1.26 -0.14 3.13 2.04 -0.47 -3.03 117.51 121.43 3dfy h ILE 176 Ca 0.27 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3dfy h ILE 176 Cb 0.17 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3dfy h ILE 176 CO -0.03 0.37 0.08 0.00 0.00 0.00 0.00 178.15 178.57 3dfy h ALA 177 N 1.13 0.18 -0.90 1.87 0.00 -0.43 -2.97 119.26 118.12 3dfy h ALA 177 Ca 0.22 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.30 3dfy h ALA 177 Cb 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3dfy h ALA 177 CO 0.00 -0.31 0.60 0.87 0.00 0.00 0.00 179.25 180.41 3dfy h LYS 178 N 0.15 0.39 -0.64 0.00 1.57 -1.20 -1.60 116.57 115.23 3dfy h LYS 178 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3dfy h LYS 178 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3dfy h LYS 178 CO -0.01 0.26 0.00 1.33 -0.57 0.00 0.00 179.45 180.46 3dfy n VAL 179 N -4.51 1.54 -2.48 0.50 0.24 -1.14 -4.38 118.33 108.11 3dfy n VAL 179 Ca 0.19 -1.15 0.03 0.00 -2.04 0.00 0.00 64.34 61.37 3dfy n VAL 179 Cb 0.70 0.25 0.04 0.00 -1.47 0.00 0.00 33.84 33.36 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 1.17 0.35 -1.61 3.34 -2.24 -0.61 -4.77 114.28 109.91 3dfy n THR 180 Ca 0.24 -1.44 -0.49 0.00 -2.27 0.00 0.00 64.05 60.08 3dfy n THR 180 Cb 0.78 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.23 1.46 0.00 -0.78 1.74 -1.16 -1.79 116.66 116.35 3dfy n ARG 181 Ca 0.07 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3dfy n ARG 181 Cb 1.07 -2.17 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 2.61 0.53 3.89 -0.13 0.00 -1.26 -5.09 105.19 105.74 3dfy n GLY 182 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 3.78 0.10 4.61 0.00 -0.74 -4.99 121.76 122.52 3dfy s ALA 183 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.74 3dfy s ALA 183 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3dfy s ALA 183 CO 0.00 0.35 0.21 0.15 0.00 0.00 0.00 175.76 176.48 3dfy s LYS 184 N -3.62 3.33 -0.02 0.00 1.02 0.14 -4.97 119.74 115.62 3dfy s LYS 184 Ca 0.33 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.84 3dfy s LYS 184 Cb -0.09 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 3dfy s LYS 184 CO 0.27 0.57 -0.22 0.71 -0.92 0.00 0.00 175.35 175.75 3dfy s TYR 185 N -1.58 2.00 -0.14 3.18 2.02 -1.26 -1.01 117.35 120.56 3dfy s TYR 185 Ca 0.34 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 3dfy s TYR 185 Cb -0.12 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3dfy s TYR 185 CO 0.27 -0.05 -0.19 0.42 -1.57 0.00 0.00 175.55 174.43 3dfy s ILE 186 N -0.49 1.87 -0.18 2.71 1.01 -0.92 0.57 121.20 125.78 3dfy s ILE 186 Ca 0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 3dfy s ILE 186 Cb -0.09 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3dfy s ILE 186 CO -0.01 0.51 -0.02 -0.69 0.00 0.00 0.00 174.94 174.73 3dfy s VAL 187 N 1.03 3.86 -0.30 2.92 1.01 -0.05 0.10 120.40 128.97 3dfy s VAL 187 Ca -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3dfy s VAL 187 Cb -0.15 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.58 3dfy s VAL 187 CO -0.05 0.46 -0.02 -0.62 0.00 0.00 0.00 175.10 174.87 3dfy s ASP 188 N 0.77 4.71 0.00 3.32 -1.08 -0.74 0.26 116.67 123.91 3dfy s ASP 188 Ca -0.01 -1.58 0.29 0.00 -0.52 0.00 0.00 52.55 50.74 3dfy s ASP 188 Cb -0.14 -1.64 1.35 0.00 -1.46 0.00 0.00 42.92 41.03 3dfy s ASP 188 CO 0.02 -0.28 1.93 0.00 0.52 0.00 0.00 175.17 177.36 3dfy n ALA 189 N 4.46 2.70 -4.17 3.66 0.00 -1.06 -1.82 120.51 124.28 3dfy n ALA 189 Ca -0.09 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3dfy n ALA 189 Cb 0.42 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.87 -2.33 -1.70 0.00 4.13 -1.21 -0.97 115.26 112.32 3dfy n ASN 190 Ca 0.17 -1.30 -0.18 0.00 1.68 0.00 0.00 54.58 54.94 3dfy n ASN 190 Cb 0.25 -1.61 -0.06 0.00 -1.54 0.00 0.00 39.78 36.82 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 -4.92 -1.49 0.16 3.52 2.81 0.19 -4.89 117.12 112.50 3dfy n MET 191 Ca -0.19 1.03 0.07 0.00 -1.81 0.00 0.00 57.70 56.80 3dfy n MET 191 Cb 0.61 -5.42 0.07 0.00 -0.71 0.00 0.00 33.22 27.77 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 -3.05 3.03 0.00 -1.00 -3.36 103.07 98.69 3dfy h GLY 192 Ca -0.38 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.49 3dfy h GLY 192 CO 0.53 0.00 -0.42 -0.19 0.00 0.00 0.00 176.54 176.46 3dfy s TYR 193 N -3.11 3.32 0.57 5.60 2.02 -0.36 -4.82 117.35 120.56 3dfy s TYR 193 Ca 0.04 -0.08 -0.03 0.00 -0.37 0.00 0.00 57.07 56.62 3dfy s TYR 193 Cb 0.07 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 3dfy s TYR 193 CO 0.73 0.34 0.84 0.95 -1.57 0.00 0.00 175.55 176.84 3dfy s THR 194 N -2.05 3.35 0.18 -0.71 -4.23 -1.26 -4.19 115.64 106.73 3dfy s THR 194 Ca 0.37 -0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 60.44 3dfy s THR 194 Cb -0.09 -3.31 0.13 0.00 1.34 0.00 0.00 72.50 70.57 3dfy s THR 194 CO 0.29 -0.28 1.65 1.56 -0.54 0.00 0.00 174.62 177.30 3dfy h GLN 195 N -0.06 -0.03 -0.73 3.99 4.20 -1.93 0.41 115.11 120.97 3dfy h GLN 195 Ca -0.45 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.22 3dfy h GLN 195 Cb 1.27 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 3dfy h GLN 195 CO 0.58 -0.02 0.28 0.87 -0.67 0.00 0.00 178.83 179.87 3dfy h LYS 196 N -0.03 1.10 -0.46 1.46 1.79 -1.98 -2.13 116.57 116.33 3dfy h LYS 196 Ca 0.22 -0.20 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 3dfy h LYS 196 Cb 0.36 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3dfy h LYS 196 CO -0.48 0.91 -0.16 0.93 -1.08 0.00 0.00 179.45 179.57 3dfy h GLU 197 N 1.07 0.91 -1.00 3.15 5.08 -1.76 -0.99 114.58 121.04 3dfy h GLU 197 Ca 0.24 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3dfy h GLU 197 Cb 0.23 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 3dfy h GLU 197 CO -0.02 1.03 0.65 0.00 -1.00 0.00 0.00 179.01 179.67 3dfy h ALA 198 N 0.86 1.32 -0.21 3.43 0.00 -0.71 0.15 119.26 124.10 3dfy h ALA 198 Ca 0.11 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3dfy h ALA 198 Cb 0.72 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dfy h ALA 198 CO 0.05 0.56 -0.35 0.28 0.00 0.00 0.00 179.25 179.79 3dfy h VAL 199 N 1.27 1.33 -0.68 0.00 2.07 -1.23 -2.76 116.25 116.26 3dfy h VAL 199 Ca 0.39 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.36 3dfy h VAL 199 Cb -0.02 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3dfy h VAL 199 CO -0.12 0.49 0.43 -0.08 0.02 0.00 0.00 177.57 178.31 3dfy h GLU 200 N 0.29 0.84 -0.29 1.57 4.57 -0.58 -0.92 114.58 120.06 3dfy h GLU 200 Ca 0.01 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 3dfy h GLU 200 Cb 0.95 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 3dfy h GLU 200 CO 0.08 0.55 0.02 0.35 -1.18 0.00 0.00 179.01 178.84 3dfy h PHE 201 N 0.86 0.02 -0.64 0.92 3.57 -0.67 0.77 116.94 121.77 3dfy h PHE 201 Ca 0.26 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3dfy h PHE 201 Cb -0.03 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3dfy h PHE 201 CO -0.04 -0.02 0.21 0.00 -2.23 0.00 0.00 178.31 176.23 3dfy h ALA 202 N 1.23 0.84 -0.56 2.41 0.00 -1.14 -2.24 119.26 119.80 3dfy h ALA 202 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3dfy h ALA 202 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dfy h ALA 202 CO -0.21 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.47 3dfy h ARG 203 N 0.92 1.03 -0.12 0.00 3.08 -0.80 -0.99 114.38 117.51 3dfy h ARG 203 Ca 0.21 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3dfy h ARG 203 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3dfy h ARG 203 CO -0.01 1.06 0.06 0.00 -1.07 0.00 0.00 179.97 180.00 3dfy h ALA 204 N 0.94 0.15 -0.63 0.04 0.00 -0.74 -0.83 119.26 118.19 3dfy h ALA 204 Ca 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3dfy h ALA 204 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3dfy h ALA 204 CO 0.04 -0.29 0.20 0.28 0.00 0.00 0.00 179.25 179.48 3dfy h VAL 205 N 0.06 1.24 -0.05 0.00 2.07 -1.36 -2.88 116.25 115.34 3dfy h VAL 205 Ca 0.04 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3dfy h VAL 205 Cb 0.12 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3dfy h VAL 205 CO -0.01 0.31 0.02 0.22 0.02 0.00 0.00 177.57 178.14 3dfy h TYR 206 N 0.93 0.07 0.00 1.57 3.20 -0.85 -2.42 116.97 119.48 3dfy h TYR 206 Ca 0.21 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3dfy h TYR 206 Cb 0.26 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3dfy h TYR 206 CO 0.02 0.17 -0.00 1.96 -1.64 0.00 0.00 178.16 178.66 3dfy h GLN 207 N -0.05 0.00 -0.14 1.82 1.08 -1.03 0.13 115.11 116.92 3dfy h GLN 207 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3dfy h GLN 207 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3dfy h GLN 207 CO -0.00 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.51 3dfy n LYS 208 N -3.13 1.40 -1.04 1.46 5.02 -0.94 -4.88 118.16 116.05 3dfy n LYS 208 Ca -0.02 -0.61 -0.01 0.00 -2.02 0.00 0.00 58.31 55.64 3dfy n LYS 208 Cb 0.11 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.86 0.45 3.84 0.72 0.00 0.46 -5.01 105.19 106.51 3dfy n GLY 209 Ca 0.10 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.77 4.95 -0.13 -0.61 1.01 -1.00 -5.04 121.20 118.61 3dfy s ILE 210 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 3dfy s ILE 210 Cb 0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3dfy s ILE 210 CO 0.00 0.39 -0.09 -0.62 0.00 0.00 0.00 174.94 174.62 3dfy s ASP 211 N -1.47 4.39 -0.25 3.58 2.15 -1.26 -4.19 116.67 119.62 3dfy s ASP 211 Ca 0.31 -0.20 -0.06 0.00 0.43 0.00 0.00 52.55 53.03 3dfy s ASP 211 Cb -0.16 -1.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.88 3dfy s ASP 211 CO 0.17 0.21 0.04 -0.63 -0.17 0.00 0.00 175.17 174.79 3dfy s ILE 212 N 0.13 4.00 0.08 4.11 1.01 -1.26 -4.32 121.20 124.94 3dfy s ILE 212 Ca -0.04 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 3dfy s ILE 212 Cb -0.14 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.33 3dfy s ILE 212 CO 0.04 0.31 1.55 0.00 0.00 0.00 0.00 174.94 176.84 3dfy h ALA 213 N 8.21 0.27 -3.37 9.38 0.00 -0.26 -3.40 119.26 130.09 3dfy h ALA 213 Ca -0.38 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.06 3dfy h ALA 213 Cb 1.16 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.53 3dfy h ALA 213 CO 0.59 -0.06 -0.69 0.08 0.00 0.00 0.00 179.25 179.16 3dfy s VAL 214 N -5.18 -0.09 -0.58 0.00 1.01 -1.18 -4.33 120.40 110.05 3dfy s VAL 214 Ca -0.14 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 3dfy s VAL 214 Cb 0.07 -0.15 0.15 0.00 0.00 0.00 0.00 36.38 36.45 3dfy s VAL 214 CO 0.72 0.11 0.45 -0.47 0.00 0.00 0.00 175.10 175.92 3dfy s TYR 215 N 1.47 3.49 0.06 5.22 5.04 0.11 -0.87 117.35 131.87 3dfy s TYR 215 Ca -0.05 -2.11 -0.30 0.00 -2.44 0.00 0.00 57.07 52.17 3dfy s TYR 215 Cb -0.12 -3.49 -0.05 0.00 0.35 0.00 0.00 41.96 38.65 3dfy s TYR 215 CO -0.04 -0.96 1.01 -2.00 -1.34 0.00 0.00 175.55 172.22 3dfy s GLU 216 N 0.77 4.59 -0.05 4.97 2.12 0.14 -1.20 118.70 130.05 3dfy s GLU 216 Ca 0.11 1.49 -0.01 0.00 0.36 0.00 0.00 54.97 56.92 3dfy s GLU 216 Cb -0.22 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3dfy s GLU 216 CO -0.03 0.02 0.04 0.94 -0.54 0.00 0.00 175.26 175.69 3dfy n GLN 217 N 3.43 -0.11 0.19 4.30 -0.06 0.36 -2.58 117.38 122.91 3dfy n GLN 217 Ca 0.05 0.06 0.07 0.00 -2.00 0.00 0.00 57.00 55.17 3dfy n GLN 217 Cb 0.50 -0.15 0.29 0.00 -4.06 0.00 0.00 30.24 26.82 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 0.74 0.00 -5.85 3.69 0.13 -1.83 0.58 132.00 129.47 3dfy h PRO 218 Ca -0.04 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.51 3dfy h PRO 218 Cb 0.10 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.15 3dfy h PRO 218 CO 0.02 0.34 -0.45 0.14 -0.23 0.00 0.00 178.00 177.82 3dfy s VAL 219 N -3.44 2.08 0.66 1.56 -7.23 -1.26 -1.22 120.40 111.55 3dfy s VAL 219 Ca 0.01 -1.67 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 3dfy s VAL 219 Cb 0.10 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 3dfy s VAL 219 CO 0.68 0.00 0.93 0.54 -0.31 0.00 0.00 175.10 176.94 3dfy n ARG 220 N -1.36 0.69 0.05 4.82 1.74 -1.26 -4.16 116.66 117.19 3dfy n ARG 220 Ca -0.03 0.28 0.08 0.00 -0.77 0.00 0.00 57.85 57.42 3dfy n ARG 220 Cb 0.65 -2.16 0.52 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.12 0.32 -0.00 5.56 0.11 -1.93 -2.05 114.38 116.52 3dfy h ARG 221 Ca -0.48 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3dfy h ARG 221 Cb 1.35 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3dfy h ARG 221 CO 0.49 0.21 -0.23 0.39 0.10 0.00 0.00 179.97 180.93 3dfy n GLU 222 N -4.48 0.37 -2.27 0.08 -0.58 -1.26 -4.44 120.64 108.07 3dfy n GLU 222 Ca 0.04 -0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.19 3dfy n GLU 222 Cb 0.19 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 -1.17 5.20 -0.06 1.62 2.03 -0.77 -4.74 116.55 118.67 3dfy n ASP 223 Ca 0.10 -3.09 -0.04 0.00 0.52 0.00 0.00 54.79 52.27 3dfy n ASP 223 Cb 0.32 -1.48 0.18 0.00 -0.72 0.00 0.00 41.12 39.41 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 3.68 1.25 -0.90 5.18 1.08 -1.83 -1.98 117.51 123.98 3dfy h ILE 224 Ca 0.43 -1.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 3dfy h ILE 224 Cb 0.61 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 3dfy h ILE 224 CO 1.64 0.37 0.50 -0.33 -0.69 0.00 0.00 178.15 179.64 3dfy h GLU 225 N 0.61 1.26 -0.41 2.37 4.39 -1.98 -1.96 114.58 118.86 3dfy h GLU 225 Ca 0.11 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 3dfy h GLU 225 Cb 0.55 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3dfy h GLU 225 CO 0.03 0.92 -0.19 0.78 -1.16 0.00 0.00 179.01 179.40 3dfy h GLY 226 N 1.27 0.86 1.00 -3.84 0.00 -1.84 -0.09 103.07 100.42 3dfy h GLY 226 Ca 0.32 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3dfy h GLY 226 CO -0.05 0.65 0.35 1.41 0.00 0.00 0.00 176.54 178.89 3dfy h LEU 227 N 0.70 0.79 -0.66 3.11 3.38 -0.95 0.11 115.31 121.78 3dfy h LEU 227 Ca 0.10 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3dfy h LEU 227 Cb 0.69 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3dfy h LEU 227 CO 0.05 0.65 -0.14 0.50 0.09 0.00 0.00 178.44 179.60 3dfy h LYS 228 N 0.86 0.90 -0.11 1.13 3.64 -1.09 0.13 116.57 122.02 3dfy h LYS 228 Ca 0.22 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3dfy h LYS 228 Cb 0.04 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3dfy h LYS 228 CO -0.04 0.98 0.04 0.35 -2.27 0.00 0.00 179.45 178.51 3dfy h PHE 229 N 0.80 0.18 -0.84 1.91 3.57 -0.57 -0.52 116.94 121.48 3dfy h PHE 229 Ca 0.12 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3dfy h PHE 229 Cb 0.67 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3dfy h PHE 229 CO 0.04 0.30 0.44 0.28 -2.23 0.00 0.00 178.31 177.14 3dfy h VAL 230 N 0.01 1.25 -0.86 1.41 2.07 -0.61 -2.19 116.25 117.32 3dfy h VAL 230 Ca 0.04 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3dfy h VAL 230 Cb 0.20 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3dfy h VAL 230 CO -0.00 0.29 0.55 -0.09 0.02 0.00 0.00 177.57 178.33 3dfy h ARG 231 N 1.17 1.00 -0.50 1.57 2.43 -0.39 0.37 114.38 120.03 3dfy h ARG 231 Ca 0.29 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3dfy h ARG 231 Cb 0.06 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3dfy h ARG 231 CO -0.04 0.66 0.16 0.35 -1.51 0.00 0.00 179.97 179.58 3dfy h PHE 232 N 1.03 0.80 0.00 2.20 3.57 -0.48 -3.27 116.94 120.79 3dfy h PHE 232 Ca 0.36 -0.08 -0.23 0.00 3.53 0.00 0.00 57.97 61.55 3dfy h PHE 232 Cb 0.09 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3dfy h PHE 232 CO -0.03 0.70 -1.43 0.45 -2.23 0.00 0.00 178.31 175.77 3dfy h HIS 233 N 0.67 0.00 -2.94 0.41 3.86 -1.22 -3.47 115.15 112.47 3dfy h HIS 233 Ca 0.16 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.84 3dfy h HIS 233 Cb 0.27 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.77 3dfy h HIS 233 CO 0.01 0.82 0.78 0.45 0.86 0.00 0.00 177.93 180.86 3dfy s SER 234 N -6.09 6.78 0.05 2.45 0.15 0.13 -4.88 113.70 112.29 3dfy s SER 234 Ca -0.03 2.35 0.26 0.00 0.70 0.00 0.00 55.95 59.23 3dfy s SER 234 Cb 0.08 -2.58 1.05 0.00 -1.71 0.00 0.00 66.02 62.86 3dfy s SER 234 CO 0.81 -0.70 1.81 -0.81 1.20 0.00 0.00 173.24 175.56 3dfy n PRO 235 N 4.23 0.05 -4.06 5.44 -0.04 -1.26 -4.77 135.00 134.59 3dfy n PRO 235 Ca 0.12 0.10 -0.29 0.00 -0.04 0.00 0.00 63.50 63.39 3dfy n PRO 235 Cb 0.42 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.03 3.17 0.15 0.54 0.08 -1.26 -5.05 117.98 112.58 3dfy s PHE 236 Ca 0.12 0.05 -0.31 0.00 0.12 0.00 0.00 56.93 56.91 3dfy s PHE 236 Cb 0.16 -1.59 -0.10 0.00 -0.57 0.00 0.00 43.02 40.92 3dfy s PHE 236 CO 0.49 0.52 1.59 -2.14 -0.10 0.00 0.00 175.22 175.58 3dfy s PRO 237 N -2.55 4.21 -0.17 0.24 0.02 -1.26 -4.83 135.00 130.66 3dfy s PRO 237 Ca 0.30 2.36 -0.10 0.00 0.02 0.00 0.00 61.00 63.58 3dfy s PRO 237 Cb -0.12 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 3dfy s PRO 237 CO 0.22 -0.63 0.15 0.08 -0.33 0.00 0.00 177.00 176.49 3dfy s VAL 238 N 1.42 5.42 0.12 3.83 1.01 -1.26 0.09 120.40 131.03 3dfy s VAL 238 Ca 0.71 0.24 0.09 0.00 0.00 0.00 0.00 61.98 63.02 3dfy s VAL 238 Cb -0.43 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3dfy s VAL 238 CO 0.31 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.75 3dfy s ALA 239 N -0.07 2.76 -0.16 5.51 0.00 -0.34 -0.84 121.76 128.62 3dfy s ALA 239 Ca 0.11 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 3dfy s ALA 239 Cb -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3dfy s ALA 239 CO 0.01 0.60 0.10 0.00 0.00 0.00 0.00 175.76 176.47 3dfy s ALA 240 N -1.18 3.63 0.00 0.00 0.00 -0.50 -0.49 121.76 123.21 3dfy s ALA 240 Ca 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3dfy s ALA 240 Cb -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.03 3dfy s ALA 240 CO 0.11 0.33 0.00 -3.47 0.00 0.00 0.00 175.76 172.73 3dfy n ASP 241 N 2.97 0.00 0.26 0.00 -0.08 -1.26 -0.46 116.55 117.98 3dfy n ASP 241 Ca -0.18 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.19 3dfy n ASP 241 Cb 0.53 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.62 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 -0.04 114.58 115.00 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 0.03 0.00 0.43 -1.40 0.00 0.00 179.01 178.07 3dfy n SER 243 N -4.44 0.00 -3.85 1.42 7.64 -1.26 -4.37 113.62 108.75 3dfy n SER 243 Ca -0.03 0.28 -0.29 0.00 1.01 0.00 0.00 58.87 59.84 3dfy n SER 243 Cb 0.12 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.84 3.27 -0.21 -0.43 0.00 -0.03 -4.72 121.76 116.79 3dfy s ALA 244 Ca 0.17 -3.41 -0.02 0.00 0.00 0.00 0.00 51.96 48.70 3dfy s ALA 244 Cb 0.17 -2.09 -0.12 0.00 0.00 0.00 0.00 23.12 21.08 3dfy s ALA 244 CO 0.45 -2.06 -0.22 0.54 0.00 0.00 0.00 175.76 174.47 3dfy n ARG 245 N 2.58 0.51 -3.95 0.00 1.74 -1.26 -4.83 116.66 111.44 3dfy n ARG 245 Ca 0.15 0.15 -0.23 0.00 -0.77 0.00 0.00 57.85 57.14 3dfy n ARG 245 Cb 0.35 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.41 2.50 0.36 0.55 -4.23 -1.26 -3.38 115.64 107.76 3dfy s THR 246 Ca -0.29 -1.59 0.17 0.00 -1.18 0.00 0.00 61.69 58.80 3dfy s THR 246 Cb 0.09 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 71.08 3dfy s THR 246 CO 0.45 -0.02 1.88 0.07 -0.54 0.00 0.00 174.62 176.46 3dfy h LYS 247 N 1.32 0.00 -0.23 3.99 2.10 -1.95 -1.90 116.57 119.90 3dfy h LYS 247 Ca -0.42 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.07 3dfy h LYS 247 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3dfy h LYS 247 CO 0.65 0.30 -0.51 0.74 -2.00 0.00 0.00 179.45 178.64 3dfy h PHE 248 N 0.00 0.80 -0.53 0.07 0.04 -1.96 -0.81 116.94 114.54 3dfy h PHE 248 Ca -0.00 -0.27 -0.02 0.00 2.80 0.00 0.00 57.97 60.48 3dfy h PHE 248 Cb 0.60 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3dfy h PHE 248 CO 0.00 1.02 0.25 -0.44 -0.60 0.00 0.00 178.31 178.54 3dfy h ASP 249 N 0.51 0.71 -0.55 2.17 3.32 -1.70 -2.37 116.42 118.51 3dfy h ASP 249 Ca 0.02 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 3dfy h ASP 249 Cb 1.06 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3dfy h ASP 249 CO 0.10 0.65 -0.09 0.58 -1.72 0.00 0.00 179.24 178.76 3dfy h VAL 250 N 0.72 1.27 -0.88 -1.35 2.07 -1.18 -1.30 116.25 115.58 3dfy h VAL 250 Ca 0.18 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.48 3dfy h VAL 250 Cb 0.13 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3dfy h VAL 250 CO -0.02 0.44 0.57 -0.03 0.02 0.00 0.00 177.57 178.55 3dfy h MET 251 N 0.92 1.08 -0.55 1.57 1.85 -1.01 -0.09 114.93 118.70 3dfy h MET 251 Ca 0.15 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.12 3dfy h MET 251 Cb 0.66 -0.24 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 3dfy h MET 251 CO 0.05 0.71 0.15 -0.09 -0.40 0.00 0.00 176.91 177.33 3dfy h ARG 252 N 1.11 0.87 -1.00 0.39 2.43 -1.14 0.68 114.38 117.72 3dfy h ARG 252 Ca 0.35 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3dfy h ARG 252 Cb -0.01 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 3dfy h ARG 252 CO -0.11 0.81 0.65 -0.07 -1.51 0.00 0.00 179.97 179.73 3dfy h LEU 253 N 0.77 1.16 -0.07 3.80 3.38 -0.51 -0.71 115.31 123.13 3dfy h LEU 253 Ca 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dfy h LEU 253 Cb 0.32 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dfy h LEU 253 CO -0.00 0.85 -0.00 0.58 0.09 0.00 0.00 178.44 179.96 3dfy h VAL 254 N 1.36 1.26 -0.51 1.22 2.07 -0.59 0.08 116.25 121.13 3dfy h VAL 254 Ca 0.36 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3dfy h VAL 254 Cb -0.14 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3dfy h VAL 254 CO -0.08 0.22 0.34 0.11 0.02 0.00 0.00 177.57 178.19 3dfy h LYS 255 N -0.16 0.49 -0.01 1.57 1.57 -0.54 -0.98 116.57 118.51 3dfy h LYS 255 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dfy h LYS 255 Cb 0.35 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3dfy h LYS 255 CO 0.00 0.32 -0.18 0.39 -0.57 0.00 0.00 179.45 179.42 3dfy n GLU 256 N -4.47 1.20 -3.82 3.15 -0.58 -0.30 -4.95 120.64 110.86 3dfy n GLU 256 Ca 0.07 -0.74 -0.24 0.00 -0.42 0.00 0.00 57.16 55.82 3dfy n GLU 256 Cb 0.21 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.60 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 -0.25 -4.36 0.02 3.49 1.02 -0.09 -4.90 120.64 115.57 3dfy n GLU 257 Ca 0.14 0.54 -0.08 0.00 -0.02 0.00 0.00 57.16 57.74 3dfy n GLU 257 Cb 0.37 -4.98 -0.13 0.00 -0.02 0.00 0.00 31.44 26.68 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 0.54 -2.44 0.62 0.00 -1.53 -3.46 119.26 113.87 3dfy h ALA 258 Ca -0.61 -1.16 -0.22 0.00 0.00 0.00 0.00 54.91 52.91 3dfy h ALA 258 Cb 1.37 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 3dfy h ALA 258 CO 0.60 1.40 -0.64 0.14 0.00 0.00 0.00 179.25 180.75 3dfy s VAL 259 N -2.66 0.18 -0.12 0.00 -7.23 -1.26 -3.14 120.40 106.16 3dfy s VAL 259 Ca -0.02 -1.95 0.14 0.00 -1.81 0.00 0.00 61.98 58.35 3dfy s VAL 259 Cb 0.09 -2.20 -0.24 0.00 0.56 0.00 0.00 36.38 34.59 3dfy s VAL 259 CO 0.82 -0.32 0.37 0.47 -0.31 0.00 0.00 175.10 176.13 3dfy n ASP 260 N -0.18 0.54 -4.23 4.85 8.00 -0.02 -4.98 116.55 120.53 3dfy n ASP 260 Ca -0.03 0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.54 3dfy n ASP 260 Cb 0.64 0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 42.03 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 -2.55 1.20 -0.05 1.24 1.51 -0.55 -2.02 117.35 116.13 3dfy s TYR 261 Ca -0.08 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 3dfy s TYR 261 Cb 0.07 -0.62 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 3dfy s TYR 261 CO 0.82 0.04 -0.11 0.08 -1.11 0.00 0.00 175.55 175.28 3dfy s VAL 262 N -3.34 0.96 -0.43 0.71 1.01 -0.92 -1.41 120.40 116.98 3dfy s VAL 262 Ca 0.15 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 3dfy s VAL 262 Cb 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3dfy s VAL 262 CO -0.00 0.31 0.32 0.21 0.00 0.00 0.00 175.10 175.94 3dfy s ASN 263 N 0.48 6.11 0.04 3.32 2.47 0.40 -2.27 114.94 125.50 3dfy s ASN 263 Ca -0.09 -1.01 -0.24 0.00 0.42 0.00 0.00 52.86 51.93 3dfy s ASN 263 Cb -0.13 -2.16 -0.06 0.00 -1.45 0.00 0.00 41.25 37.45 3dfy s ASN 263 CO 0.02 -0.50 0.75 -0.63 -3.72 0.00 0.00 177.10 173.02 3dfy s ILE 264 N 1.67 4.74 -0.07 -5.21 1.01 -0.16 -4.68 121.20 118.50 3dfy s ILE 264 Ca 0.05 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.29 3dfy s ILE 264 Cb -0.20 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.19 3dfy s ILE 264 CO 0.09 0.37 -0.07 -0.54 0.00 0.00 0.00 174.94 174.79 3dfy s LYS 265 N -0.10 1.25 0.53 2.79 1.02 -1.26 -0.07 119.74 123.89 3dfy s LYS 265 Ca 0.38 -0.21 0.24 0.00 0.02 0.00 0.00 55.97 56.39 3dfy s LYS 265 Cb -0.20 -1.21 1.45 0.00 -0.52 0.00 0.00 37.83 37.35 3dfy s LYS 265 CO 0.22 -0.11 2.12 -0.07 -0.92 0.00 0.00 175.35 176.59 3dfy h LEU 266 N 7.47 0.00 -1.16 3.17 3.38 -1.87 -1.21 115.31 125.09 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 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dfy h LEU 266 CO 0.43 0.08 0.00 0.24 0.09 0.00 0.00 178.44 179.28 3dfy h MET 267 N 0.00 0.00 0.04 1.13 2.86 -1.91 0.17 114.93 117.22 3dfy h MET 267 Ca -0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 3dfy h MET 267 Cb 0.18 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 3dfy h MET 267 CO 0.01 0.00 -2.25 1.63 1.06 0.00 0.00 176.91 177.36 3dfy n LYS 268 N -2.79 0.67 -0.04 1.72 5.02 -0.53 -2.74 118.16 119.48 3dfy n LYS 268 Ca 0.01 0.23 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 3dfy n LYS 268 Cb 0.28 -1.59 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.56 0.56 -0.11 4.39 7.64 -0.79 -4.71 113.62 117.05 3dfy n SER 269 Ca -0.42 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.47 3dfy n SER 269 Cb 0.97 1.57 -0.00 0.00 -1.01 0.00 0.00 64.21 65.74 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 1.56 -1.58 0.21 0.23 0.00 0.59 -3.33 105.19 102.87 3dfy n GLY 270 Ca -0.12 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.10 1.29 0.47 -0.61 1.08 -1.83 -2.76 117.51 115.06 3dfy h ILE 271 Ca -0.00 -1.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.15 3dfy h ILE 271 Cb 0.10 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 3dfy h ILE 271 CO 0.00 0.42 -0.46 0.77 -0.69 0.00 0.00 178.15 178.20 3dfy h SER 272 N 0.44 -1.25 -0.03 1.72 4.64 -1.95 -0.99 113.55 116.13 3dfy h SER 272 Ca 0.07 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3dfy h SER 272 Cb 0.72 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3dfy h SER 272 CO 0.05 -0.60 -0.08 0.44 -0.87 0.00 0.00 176.83 175.77 3dfy h ASP 273 N -0.92 0.23 -0.22 4.97 5.19 -1.68 -2.23 116.42 121.76 3dfy h ASP 273 Ca -0.06 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3dfy h ASP 273 Cb 0.79 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 3dfy h ASP 273 CO -0.05 0.34 0.13 0.00 -3.12 0.00 0.00 179.24 176.55 3dfy h ALA 274 N 1.69 0.28 -0.81 3.45 0.00 -1.17 0.17 119.26 122.87 3dfy h ALA 274 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dfy h ALA 274 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3dfy h ALA 274 CO 0.01 -0.22 0.37 -0.07 0.00 0.00 0.00 179.25 179.34 3dfy h LEU 275 N 0.27 1.08 -0.67 0.00 3.38 -0.90 -1.22 115.31 117.26 3dfy h LEU 275 Ca 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3dfy h LEU 275 Cb 0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3dfy h LEU 275 CO -0.02 0.93 0.30 0.00 0.09 0.00 0.00 178.44 179.75 3dfy h ALA 276 N 1.23 0.86 -0.38 1.53 0.00 -0.91 -2.47 119.26 119.12 3dfy h ALA 276 Ca 0.28 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3dfy h ALA 276 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dfy h ALA 276 CO -0.03 0.44 -0.08 0.82 0.00 0.00 0.00 179.25 180.40 3dfy h ILE 277 N 0.93 1.24 -0.12 0.00 2.04 -0.06 -1.28 117.51 120.26 3dfy h ILE 277 Ca 0.23 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3dfy h ILE 277 Cb 0.15 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3dfy h ILE 277 CO -0.03 0.35 0.08 0.58 0.00 0.00 0.00 178.15 179.14 3dfy h VAL 278 N 0.60 1.04 -0.56 1.67 2.07 -0.87 0.06 116.25 120.27 3dfy h VAL 278 Ca 0.11 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3dfy h VAL 278 Cb 0.50 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3dfy h VAL 278 CO 0.03 0.04 0.20 -0.33 0.02 0.00 0.00 177.57 177.53 3dfy h GLU 279 N 0.15 0.85 0.09 1.57 4.39 -1.19 -1.58 114.58 118.86 3dfy h GLU 279 Ca 0.04 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3dfy h GLU 279 Cb -0.00 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3dfy h GLU 279 CO -0.01 0.75 -0.06 0.82 -1.16 0.00 0.00 179.01 179.35 3dfy h ILE 280 N 0.77 0.86 -0.21 3.13 2.04 -1.05 -1.85 117.51 121.20 3dfy h ILE 280 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 3dfy h ILE 280 Cb 0.24 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3dfy h ILE 280 CO -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.06 3dfy h ALA 281 N 0.75 0.10 0.00 1.87 0.00 -0.84 -1.18 119.26 119.96 3dfy h ALA 281 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dfy h ALA 281 Cb 0.14 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dfy h ALA 281 CO 0.00 -0.50 0.00 0.39 0.00 0.00 0.00 179.25 179.14 3dfy n GLU 282 N -5.24 0.01 -0.07 0.00 1.02 -0.61 -1.45 120.64 114.30 3dfy n GLU 282 Ca -0.02 0.29 0.09 0.00 -0.02 0.00 0.00 57.16 57.50 3dfy n GLU 282 Cb 0.16 -1.52 0.12 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 -1.53 2.77 -0.05 1.62 7.64 -0.52 -4.56 113.62 119.00 3dfy n SER 283 Ca 0.03 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.09 3dfy n SER 283 Cb 0.15 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 1.06 0.54 -0.16 6.43 3.41 -0.53 -5.00 113.62 119.38 3dfy n SER 284 Ca 0.13 -1.39 -0.02 0.00 -0.26 0.00 0.00 58.87 57.33 3dfy n SER 284 Cb 0.48 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.16 0.55 3.76 5.00 0.00 -0.98 -5.02 105.19 108.34 3dfy n GLY 285 Ca 0.01 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.47 4.40 0.24 0.99 2.96 -0.69 -5.01 118.68 121.09 3dfy s LEU 286 Ca 0.00 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.98 3dfy s LEU 286 Cb 0.00 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 3dfy s LEU 286 CO 0.00 0.11 0.41 -0.54 -1.32 0.00 0.00 176.35 175.01 3dfy s LYS 287 N -0.14 3.49 0.13 1.98 1.02 -0.86 -4.35 119.74 121.01 3dfy s LYS 287 Ca 0.29 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 55.91 3dfy s LYS 287 Cb -0.17 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3dfy s LYS 287 CO 0.15 0.36 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.28 3dfy s LEU 288 N -3.66 2.40 0.07 3.17 1.43 -1.26 -2.16 118.68 118.66 3dfy s LEU 288 Ca 0.38 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 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 0.30 -0.13 -0.05 0.00 0.23 0.00 0.00 176.35 176.70 3dfy s MET 289 N -2.66 0.66 -0.03 1.70 0.23 -0.96 -0.86 119.30 117.39 3dfy s MET 289 Ca 0.09 -1.15 0.06 0.00 -1.03 0.00 0.00 55.69 53.66 3dfy s MET 289 Cb -0.05 -0.04 -0.01 0.00 -1.53 0.00 0.00 34.83 33.20 3dfy s MET 289 CO 0.03 -0.05 -0.21 -1.50 -2.03 0.00 0.00 175.02 171.26 3dfy s ILE 290 N -3.23 1.72 0.00 3.16 2.07 -0.82 -0.99 121.20 123.10 3dfy s ILE 290 Ca 0.05 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 3dfy s ILE 290 Cb 0.03 -1.44 0.00 0.00 0.13 0.00 0.00 42.46 41.17 3dfy s ILE 290 CO -0.06 0.49 0.00 0.61 -1.91 0.00 0.00 174.94 174.07 3dfy n GLY 291 N 2.78 7.04 3.78 1.50 0.00 0.90 -0.16 105.19 121.02 3dfy n GLY 291 Ca -0.16 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.53 0.00 -0.66 0.00 2.81 -1.26 -4.99 117.12 112.49 3dfy n MET 293 Ca -0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.88 3dfy n MET 293 Cb 0.60 0.00 0.17 0.00 -0.71 0.00 0.00 33.22 33.28 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 4.76 4.46 3.62 3.03 0.00 -1.26 -4.78 105.19 115.02 3dfy n GLY 294 Ca 0.00 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 3dfy n GLY 294 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dfy n GLU 295 N -0.91 1.26 -2.65 1.61 4.71 -1.26 -4.90 120.64 118.49 3dfy n GLU 295 Ca 0.16 0.46 -0.23 0.00 -0.01 0.00 0.00 57.16 57.54 3dfy n GLU 295 Cb 0.75 -2.12 0.10 0.00 -1.01 0.00 0.00 31.44 29.16 3dfy n GLU 295 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3dfy s SER 296 N -0.89 4.47 0.28 1.62 1.04 -1.26 -2.87 113.70 116.09 3dfy s SER 296 Ca 0.67 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 3dfy s SER 296 Cb -0.50 0.00 0.63 0.00 0.10 0.00 0.00 66.02 66.25 3dfy s SER 296 CO 0.54 -1.77 1.64 0.77 0.98 0.00 0.00 173.24 175.39 3dfy h SER 297 N -0.42 -0.13 0.39 7.02 4.64 -1.94 0.61 113.55 123.73 3dfy h SER 297 Ca -0.36 0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 3dfy h SER 297 Cb 1.27 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 3dfy h SER 297 CO 0.41 -0.17 -0.28 0.25 -0.87 0.00 0.00 176.83 176.16 3dfy h LEU 298 N 0.17 0.00 0.12 5.97 6.46 -1.94 -2.19 115.31 123.89 3dfy h LEU 298 Ca 0.51 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 58.00 3dfy h LEU 298 Cb 1.00 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.95 3dfy h LEU 298 CO -0.67 0.28 -1.13 1.23 -0.62 0.00 0.00 178.44 177.53 3dfy h GLY 299 N 1.07 0.62 1.75 3.75 0.00 -0.25 -3.24 103.07 106.78 3dfy h GLY 299 Ca -0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 47.33 45.97 3dfy h GLY 299 CO 0.04 1.17 0.01 -2.22 0.00 0.00 0.00 176.54 175.53 3dfy h ILE 300 N 0.13 1.14 -1.01 2.60 1.08 -0.66 -2.11 117.51 118.68 3dfy h ILE 300 Ca -0.17 -0.52 0.23 0.00 -0.39 0.00 0.00 64.86 64.01 3dfy h ILE 300 Cb 1.83 0.96 -0.11 0.00 -3.07 0.00 0.00 36.82 36.42 3dfy h ILE 300 CO 0.22 0.18 0.61 -1.13 -0.69 0.00 0.00 178.15 177.33 3dfy h ASN 301 N 0.32 0.68 -0.32 1.72 -1.24 -1.42 0.11 115.58 115.43 3dfy h ASN 301 Ca 0.08 0.12 0.03 0.00 0.71 0.00 0.00 56.30 57.23 3dfy h ASN 301 Cb 0.20 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 3dfy h ASN 301 CO 0.00 0.16 0.14 1.56 -1.29 0.00 0.00 177.43 178.00 3dfy h GLN 302 N 0.62 0.29 -0.07 6.67 4.20 -1.50 -1.21 115.11 124.10 3dfy h GLN 302 Ca 0.62 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 59.13 3dfy h GLN 302 Cb 1.16 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3dfy h GLN 302 CO -0.42 0.19 -0.71 0.77 -0.67 0.00 0.00 178.83 177.99 3dfy h SER 303 N 0.30 0.43 -0.09 1.46 0.02 -1.11 -2.42 113.55 112.14 3dfy h SER 303 Ca 0.14 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3dfy h SER 303 Cb 0.08 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3dfy h SER 303 CO -0.12 1.00 0.05 0.58 -1.14 0.00 0.00 176.83 177.21 3dfy h VAL 304 N 0.25 1.05 -0.46 2.27 2.07 -0.55 0.26 116.25 121.14 3dfy h VAL 304 Ca -0.03 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3dfy h VAL 304 Cb 1.27 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3dfy h VAL 304 CO 0.12 0.04 -0.00 0.45 0.02 0.00 0.00 177.57 178.20 3dfy h HIS 305 N 0.09 0.80 -0.07 1.57 -0.00 -1.26 -0.17 115.15 116.12 3dfy h HIS 305 Ca 0.03 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 3dfy h HIS 305 Cb 0.03 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 3dfy h HIS 305 CO -0.06 0.75 0.02 0.35 -0.00 0.00 0.00 177.93 178.99 3dfy h PHE 306 N 0.71 0.11 -0.20 2.45 3.57 -0.96 0.07 116.94 122.68 3dfy h PHE 306 Ca 0.14 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3dfy h PHE 306 Cb 0.44 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3dfy h PHE 306 CO 0.02 0.27 0.10 0.00 -2.23 0.00 0.00 178.31 176.47 3dfy h ALA 307 N 0.82 0.26 0.05 2.41 0.00 -0.32 -1.64 119.26 120.85 3dfy h ALA 307 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dfy h ALA 307 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dfy h ALA 307 CO -0.00 -0.17 -0.02 -0.07 0.00 0.00 0.00 179.25 178.98 3dfy h LEU 308 N 0.19 -0.06 0.48 0.00 3.38 -1.01 0.29 115.31 118.59 3dfy h LEU 308 Ca 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3dfy h LEU 308 Cb 0.13 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dfy h LEU 308 CO -0.01 0.01 -0.23 1.23 0.09 0.00 0.00 178.44 179.53 3dfy h GLY 309 N -0.12 -0.67 1.71 0.83 0.00 -0.92 -1.08 103.07 102.81 3dfy h GLY 309 Ca -0.01 0.25 -0.20 0.00 0.00 0.00 0.00 47.33 47.37 3dfy h GLY 309 CO 0.01 -0.24 -0.88 -0.91 0.00 0.00 0.00 176.54 174.51 3dfy h THR 310 N -0.65 1.46 -1.70 4.70 1.35 -1.37 -0.28 112.91 116.42 3dfy h THR 310 Ca -0.07 -2.54 -0.41 0.00 -0.55 0.00 0.00 66.41 62.84 3dfy h THR 310 Cb 0.50 2.43 -0.12 0.00 -1.73 0.00 0.00 68.15 69.23 3dfy h THR 310 CO 0.11 0.75 -0.42 0.61 -0.25 0.00 0.00 175.52 176.32 3dfy n GLY 311 N 0.87 1.14 0.01 5.82 0.00 0.10 -4.76 105.19 108.37 3dfy n GLY 311 Ca -0.04 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 0.22 2.46 -2.79 4.61 0.00 -1.26 -4.89 120.51 118.86 3dfy n ALA 312 Ca -0.21 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.74 3dfy n ALA 312 Cb 0.66 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.83 3.37 0.08 0.00 0.08 -1.26 -4.34 117.98 113.08 3dfy s PHE 313 Ca 0.20 0.33 0.03 0.00 0.12 0.00 0.00 56.93 57.60 3dfy s PHE 313 Cb 0.19 -1.90 -0.24 0.00 -0.57 0.00 0.00 43.02 40.50 3dfy s PHE 313 CO 0.51 0.54 1.14 0.93 -0.10 0.00 0.00 175.22 178.25 3dfy h GLU 314 N 5.30 0.12 -4.55 0.44 4.39 -1.34 -3.46 114.58 115.47 3dfy h GLU 314 Ca -0.51 -0.20 -0.29 0.00 0.34 0.00 0.00 59.36 58.71 3dfy h GLU 314 Cb 1.20 0.07 -0.22 0.00 -0.10 0.00 0.00 28.75 29.70 3dfy h GLU 314 CO 0.58 1.05 -0.74 -0.06 -1.16 0.00 0.00 179.01 178.68 3dfy s PHE 315 N -2.67 0.65 -0.15 4.33 0.08 -1.24 -5.06 117.98 113.92 3dfy s PHE 315 Ca -0.02 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.60 3dfy s PHE 315 Cb 0.09 -0.39 0.02 0.00 -0.57 0.00 0.00 43.02 42.16 3dfy s PHE 315 CO 0.84 -0.07 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.74 3dfy s HIS 316 N -1.17 2.18 -0.83 0.36 3.76 -1.25 -1.95 115.29 116.40 3dfy s HIS 316 Ca -0.08 -1.21 0.01 0.00 -0.15 0.00 0.00 55.06 53.63 3dfy s HIS 316 Cb -0.09 -1.60 0.24 0.00 1.11 0.00 0.00 32.58 32.25 3dfy s HIS 316 CO 0.00 -0.66 0.86 -3.47 -0.85 0.00 0.00 174.74 170.62 3dfy n ASP 317 N 4.73 4.31 -3.36 1.40 2.03 0.77 -1.16 116.55 125.27 3dfy n ASP 317 Ca -0.17 -3.29 -0.27 0.00 0.52 0.00 0.00 54.79 51.58 3dfy n ASP 317 Cb 0.50 -0.93 -0.08 0.00 -0.72 0.00 0.00 41.12 39.89 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 1.62 3.51 -0.25 -2.67 4.77 -1.26 -3.26 117.00 119.45 3dfy n LEU 318 Ca 0.25 -5.40 0.03 0.00 -0.03 0.00 0.00 56.01 50.86 3dfy n LEU 318 Cb 0.37 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 3dfy n LEU 318 CO 0.43 2.09 0.40 -0.90 -1.33 0.00 0.00 177.39 178.08 3dfy n ASP 319 N 0.79 1.74 -0.35 -1.43 5.75 -1.26 -4.72 116.55 117.06 3dfy n ASP 319 Ca 0.29 -1.44 0.05 0.00 -0.01 0.00 0.00 54.79 53.68 3dfy n ASP 319 Cb 0.42 -0.03 0.21 0.00 -1.03 0.00 0.00 41.12 40.68 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 1.09 0.93 0.46 -1.12 4.64 -1.86 -0.57 113.55 117.12 3dfy h SER 320 Ca 0.00 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3dfy h SER 320 Cb 0.34 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3dfy h SER 320 CO 0.00 0.54 -0.28 1.12 -0.87 0.00 0.00 176.83 177.34 3dfy h HIS 321 N 1.03 0.00 0.00 4.77 2.07 -1.81 -1.70 115.15 119.51 3dfy h HIS 321 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 3dfy h HIS 321 Cb 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 3dfy h HIS 321 CO -0.01 0.28 0.00 1.28 -3.07 0.00 0.00 177.93 176.41 3dfy n LEU 322 N -3.85 0.47 0.03 6.12 4.77 -0.26 -2.91 117.00 121.37 3dfy n LEU 322 Ca -0.02 0.56 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 3dfy n LEU 322 Cb 0.36 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 3dfy n LEU 322 CO 0.35 -0.19 -0.28 0.24 -1.33 0.00 0.00 177.39 176.18 3dfy h MET 323 N 0.00 0.00 -6.93 3.23 2.86 -0.91 -3.48 114.93 109.71 3dfy h MET 323 Ca 0.00 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.18 3dfy h MET 323 Cb 0.57 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.29 3dfy h MET 323 CO 0.00 0.35 0.01 -0.51 1.06 0.00 0.00 176.91 177.82 3dfy s LEU 324 N -5.89 3.13 -0.12 1.22 1.43 -1.09 -2.25 118.68 115.11 3dfy s LEU 324 Ca -0.03 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3dfy s LEU 324 Cb 0.09 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 44.00 3dfy s LEU 324 CO 0.81 -1.48 -0.18 -1.59 0.23 0.00 0.00 176.35 174.14 3dfy s LYS 325 N -4.91 2.50 -0.04 1.70 -2.85 -0.47 -4.89 119.74 110.79 3dfy s LYS 325 Ca 0.62 -0.67 0.01 0.00 -1.00 0.00 0.00 55.97 54.93 3dfy s LYS 325 Cb -0.07 -2.07 0.02 0.00 -2.06 0.00 0.00 37.83 33.64 3dfy s LYS 325 CO 0.41 -0.03 -0.06 -1.21 0.10 0.00 0.00 175.35 174.57 3dfy s GLU 326 N 0.88 0.82 0.13 1.78 2.02 -1.26 -4.49 118.70 118.59 3dfy s GLU 326 Ca -0.08 -0.16 -0.16 0.00 0.02 0.00 0.00 54.97 54.60 3dfy s GLU 326 Cb -0.15 -0.81 -0.00 0.00 0.10 0.00 0.00 34.13 33.27 3dfy s GLU 326 CO -0.01 -0.02 1.68 1.05 0.02 0.00 0.00 175.26 177.98 3dfy h GLU 327 N 6.90 0.61 -5.43 1.61 4.11 -2.04 -3.42 114.58 116.92 3dfy h GLU 327 Ca -0.36 -0.11 -0.68 0.00 0.07 0.00 0.00 59.36 58.28 3dfy h GLU 327 Cb 1.16 -0.10 -0.32 0.00 0.50 0.00 0.00 28.75 29.99 3dfy h GLU 327 CO 0.48 0.57 -0.86 0.54 0.07 0.00 0.00 179.01 179.81 3dfy s VAL 328 N -5.55 2.23 0.32 -1.06 0.11 -1.26 -5.10 120.40 110.08 3dfy s VAL 328 Ca -0.13 -0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 57.66 3dfy s VAL 328 Cb 0.10 -1.86 -0.10 0.00 -1.53 0.00 0.00 36.38 32.99 3dfy s VAL 328 CO 0.75 0.56 1.39 0.12 -3.33 0.00 0.00 175.10 174.59 3dfy s PHE 329 N 0.27 2.93 -0.04 1.54 5.36 -1.26 -4.92 117.98 121.86 3dfy s PHE 329 Ca -0.16 1.23 0.06 0.00 -0.96 0.00 0.00 56.93 57.11 3dfy s PHE 329 Cb -0.17 -3.80 0.09 0.00 -0.34 0.00 0.00 43.02 38.79 3dfy s PHE 329 CO 0.08 -2.38 0.96 0.54 -1.46 0.00 0.00 175.22 172.96 3dfy n ARG 330 N 1.21 1.55 -3.24 10.12 1.74 -1.26 -5.06 116.66 121.73 3dfy n ARG 330 Ca 0.02 -1.59 -0.30 0.00 -0.77 0.00 0.00 57.85 55.22 3dfy n ARG 330 Cb 0.41 -1.00 -0.04 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.40 1.96 -0.82 -0.13 0.00 -1.26 -4.08 107.32 101.60 3dfy s GLY 331 Ca 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 3dfy s GLY 331 CO 0.01 -0.28 2.20 0.28 0.00 0.00 0.00 173.10 175.31 3dfy n LYS 332 N -0.86 3.27 -3.88 2.90 5.02 -1.26 -4.90 118.16 118.45 3dfy n LYS 332 Ca -0.00 -3.43 -0.08 0.00 -2.02 0.00 0.00 58.31 52.78 3dfy n LYS 332 Cb 0.54 -2.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 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 -3.33 -0.06 -0.14 2.13 -0.12 -1.26 -4.85 117.98 110.35 3dfy s PHE 333 Ca 0.52 -0.37 -0.06 0.00 -0.05 0.00 0.00 56.93 56.96 3dfy s PHE 333 Cb 0.36 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.28 3dfy s PHE 333 CO -0.30 -1.17 0.08 0.42 -0.05 0.00 0.00 175.22 174.21 3dfy s ILE 334 N -3.94 5.02 -0.30 -4.49 1.01 0.20 -4.97 121.20 113.72 3dfy s ILE 334 Ca 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 3dfy s ILE 334 Cb -0.04 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.25 3dfy s ILE 334 CO 0.07 0.54 0.03 -1.58 0.00 0.00 0.00 174.94 174.00 3dfy s GLN 335 N -0.36 2.68 -0.61 2.79 2.00 -1.26 -1.63 119.66 123.27 3dfy s GLN 335 Ca 0.10 -1.12 0.04 0.00 -2.00 0.00 0.00 55.36 52.39 3dfy s GLN 335 Cb -0.12 -3.26 0.15 0.00 0.80 0.00 0.00 33.01 30.58 3dfy s GLN 335 CO 0.02 -0.56 0.38 0.34 -0.50 0.00 0.00 175.29 174.96 3dfy s ASP 336 N 1.35 4.50 1.53 6.67 2.15 0.95 -5.01 116.67 128.82 3dfy s ASP 336 Ca -0.02 -3.42 0.00 0.00 0.43 0.00 0.00 52.55 49.54 3dfy s ASP 336 Cb -0.19 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 3dfy s ASP 336 CO 0.00 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 3dfy n GLY 337 N 2.55 2.16 0.03 2.66 0.00 -1.26 -1.92 105.19 109.42 3dfy n GLY 337 Ca 0.13 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 13.07 0.07 -3.72 1.61 -0.02 -1.26 -4.86 135.00 139.88 3dfy n PRO 338 Ca 0.00 0.11 -0.28 0.00 -2.02 0.00 0.00 63.50 61.31 3dfy n PRO 338 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 -3.04 3.52 -0.00 -0.52 0.52 -0.81 -0.62 118.95 118.00 3dfy s ARG 339 Ca 0.12 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 3dfy s ARG 339 Cb 0.16 -2.85 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 3dfy s ARG 339 CO 0.50 0.42 -0.02 -1.64 0.02 0.00 0.00 175.30 174.58 3dfy s MET 340 N -3.25 0.13 0.23 3.54 -1.94 -0.30 -0.03 119.30 117.67 3dfy s MET 340 Ca 0.38 -0.06 -0.14 0.00 -1.71 0.00 0.00 55.69 54.16 3dfy s MET 340 Cb -0.11 -0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.61 3dfy s MET 340 CO 0.29 0.03 0.47 -0.98 -0.01 0.00 0.00 175.02 174.82 3dfy s ARG 341 N -0.05 1.47 0.26 2.03 1.70 -0.64 -1.15 118.95 122.57 3dfy s ARG 341 Ca 0.00 -1.14 0.06 0.00 -0.47 0.00 0.00 55.73 54.18 3dfy s ARG 341 Cb -0.01 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 3dfy s ARG 341 CO -0.00 -0.61 0.33 0.54 -1.08 0.00 0.00 175.30 174.48 3dfy s VAL 342 N -3.97 4.78 -1.84 4.99 0.11 -1.25 0.60 120.40 123.82 3dfy s VAL 342 Ca 0.18 -1.12 0.15 0.00 -2.93 0.00 0.00 61.98 58.26 3dfy s VAL 342 Cb -0.00 -3.64 0.12 0.00 -1.53 0.00 0.00 36.38 31.32 3dfy s VAL 342 CO 0.05 -0.30 0.97 1.17 -3.33 0.00 0.00 175.10 173.66