#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f1d s ARG 11 N 0.00 3.34 -0.03 1.61 0.52 -1.26 -5.05 118.95 118.08 2f1d s ARG 11 Ca 0.00 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.54 2f1d s ARG 11 Cb 0.00 -3.52 -0.00 0.00 0.52 0.00 0.00 34.95 31.95 2f1d s ARG 11 CO 0.00 -0.40 -0.14 0.42 0.02 0.00 0.00 175.30 175.21 2f1d s ILE 12 N 1.60 1.13 -0.17 1.52 1.01 -1.26 -1.26 121.20 123.76 2f1d s ILE 12 Ca 0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2f1d s ILE 12 Cb -0.17 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 2f1d s ILE 12 CO 0.06 0.33 -0.10 -0.83 0.00 0.00 0.00 174.94 174.40 2f1d s GLY 13 N 0.02 1.55 -0.04 6.18 0.00 -0.28 -4.09 107.32 110.66 2f1d s GLY 13 Ca -0.02 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.74 2f1d s GLY 13 CO 0.01 0.11 -0.24 1.85 0.00 0.00 0.00 173.10 174.82 2f1d s GLU 14 N 0.89 2.25 -0.10 2.90 2.12 -1.26 -1.60 118.70 123.90 2f1d s GLU 14 Ca -0.03 -0.87 -0.07 0.00 0.36 0.00 0.00 54.97 54.36 2f1d s GLU 14 Cb -0.15 -2.01 0.03 0.00 0.26 0.00 0.00 34.13 32.26 2f1d s GLU 14 CO 0.00 0.43 0.24 0.08 -0.54 0.00 0.00 175.26 175.48 2f1d s VAL 15 N -0.32 -0.01 -0.20 3.70 1.01 -0.97 -4.83 120.40 118.78 2f1d s VAL 15 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2f1d s VAL 15 Cb -0.12 -0.36 0.05 0.00 0.00 0.00 0.00 36.38 35.95 2f1d s VAL 15 CO 0.02 0.02 -0.07 -1.59 0.00 0.00 0.00 175.10 173.48 2f1d s LYS 16 N 0.51 1.69 -0.09 2.72 -2.85 -1.26 -2.02 119.74 118.44 2f1d s LYS 16 Ca -0.03 -0.77 0.01 0.00 -1.00 0.00 0.00 55.97 54.18 2f1d s LYS 16 Cb -0.05 -2.33 0.02 0.00 -2.06 0.00 0.00 37.83 33.41 2f1d s LYS 16 CO -0.03 -0.48 -0.11 0.50 0.10 0.00 0.00 175.35 175.33 2f1d s ARG 17 N 1.48 1.71 -0.18 1.78 3.52 -0.99 -5.05 118.95 121.22 2f1d s ARG 17 Ca -0.02 -0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2f1d s ARG 17 Cb -0.17 -1.55 0.06 0.00 -1.56 0.00 0.00 34.95 31.73 2f1d s ARG 17 CO -0.07 -0.11 0.02 0.08 -0.81 0.00 0.00 175.30 174.41 2f1d s VAL 18 N 1.14 0.60 0.02 7.11 1.01 -1.26 -2.50 120.40 126.51 2f1d s VAL 18 Ca -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2f1d s VAL 18 Cb -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2f1d s VAL 18 CO -0.02 -0.14 0.02 0.35 0.00 0.00 0.00 175.10 175.31 2f1d n THR 19 N 5.03 0.00 0.21 3.92 -2.24 -0.96 -5.01 114.28 115.23 2f1d n THR 19 Ca -0.09 -0.09 0.06 0.00 -2.27 0.00 0.00 64.05 61.66 2f1d n THR 19 Cb 0.47 -0.62 0.56 0.00 -2.10 0.00 0.00 70.33 68.65 2f1d n THR 19 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2f1d h LYS 20 N 0.00 0.08 0.00 -0.78 -0.00 -2.03 -3.33 116.57 110.51 2f1d h LYS 20 Ca -0.01 -0.01 -0.24 0.00 -0.00 0.00 0.00 60.65 60.38 2f1d h LYS 20 Cb 0.05 -0.02 -0.05 0.00 -0.00 0.00 0.00 32.23 32.22 2f1d h LYS 20 CO 0.02 0.12 -1.92 0.39 -0.00 0.00 0.00 179.45 178.06 2f1d n GLU 21 N -4.46 1.53 -4.24 0.07 4.71 -1.26 -5.07 120.64 111.93 2f1d n GLU 21 Ca -0.02 0.02 -0.14 0.00 -0.01 0.00 0.00 57.16 57.00 2f1d n GLU 21 Cb 0.14 -1.34 -0.10 0.00 -1.01 0.00 0.00 31.44 29.13 2f1d n GLU 21 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2f1d s THR 22 N -2.32 1.15 -0.41 2.62 -4.23 -1.25 -3.51 115.64 107.68 2f1d s THR 22 Ca -0.10 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2f1d s THR 22 Cb 0.04 -1.74 0.15 0.00 1.34 0.00 0.00 72.50 72.29 2f1d s THR 22 CO 0.51 -0.69 0.27 0.21 -0.54 0.00 0.00 174.62 174.37 2f1d s ASN 23 N -2.99 2.90 0.01 3.99 3.84 -0.19 -2.25 114.94 120.25 2f1d s ASN 23 Ca 0.14 -2.62 -0.01 0.00 0.21 0.00 0.00 52.86 50.58 2f1d s ASN 23 Cb 0.01 -0.66 -0.04 0.00 -0.55 0.00 0.00 41.25 40.01 2f1d s ASN 23 CO 0.01 -0.25 0.13 -0.69 -2.79 0.00 0.00 177.10 173.51 2f1d s VAL 24 N 0.47 5.02 -0.10 -5.21 1.01 -1.04 -2.46 120.40 118.09 2f1d s VAL 24 Ca 0.22 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2f1d s VAL 24 Cb -0.16 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2f1d s VAL 24 CO -0.05 0.29 0.26 -0.55 0.00 0.00 0.00 175.10 175.05 2f1d s SER 25 N -1.98 -0.28 -0.02 3.32 0.15 -0.35 -2.35 113.70 112.19 2f1d s SER 25 Ca 0.27 0.55 -0.10 0.00 0.70 0.00 0.00 55.95 57.36 2f1d s SER 25 Cb -0.12 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2f1d s SER 25 CO 0.18 -0.12 0.21 -0.69 1.20 0.00 0.00 173.24 174.02 2f1d s VAL 26 N 0.62 0.06 -0.28 4.45 1.01 -0.86 -1.31 120.40 124.09 2f1d s VAL 26 Ca -0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 2f1d s VAL 26 Cb -0.05 -0.47 0.13 0.00 0.00 0.00 0.00 36.38 35.98 2f1d s VAL 26 CO -0.04 -0.28 0.60 -0.54 0.00 0.00 0.00 175.10 174.84 2f1d s LYS 27 N -1.12 0.52 -0.07 2.72 1.02 -0.05 -2.28 119.74 120.48 2f1d s LYS 27 Ca -0.12 1.32 0.02 0.00 0.02 0.00 0.00 55.97 57.21 2f1d s LYS 27 Cb -0.06 0.72 0.01 0.00 -0.52 0.00 0.00 37.83 37.98 2f1d s LYS 27 CO 0.02 -0.26 -0.12 0.42 -0.92 0.00 0.00 175.35 174.50 2f1d s ILE 28 N 2.83 1.14 -0.30 2.17 1.01 -0.63 -0.99 121.20 126.43 2f1d s ILE 28 Ca -0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 2f1d s ILE 28 Cb -0.12 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2f1d s ILE 28 CO -0.18 0.36 0.10 0.21 0.00 0.00 0.00 174.94 175.43 2f1d s ASN 29 N 0.79 5.21 0.20 3.58 3.84 -0.86 -1.13 114.94 126.57 2f1d s ASN 29 Ca -0.12 -0.73 0.24 0.00 0.21 0.00 0.00 52.86 52.46 2f1d s ASN 29 Cb -0.15 -1.90 0.91 0.00 -0.55 0.00 0.00 41.25 39.56 2f1d s ASN 29 CO 0.02 -0.21 1.72 0.18 -2.79 0.00 0.00 177.10 176.02 2f1d n LEU 30 N 4.88 0.60 -3.09 3.21 4.77 -0.39 -2.47 117.00 124.51 2f1d n LEU 30 Ca -0.14 0.61 -0.26 0.00 -0.03 0.00 0.00 56.01 56.19 2f1d n LEU 30 Cb 0.48 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2f1d n LEU 30 CO 0.32 -0.38 0.08 0.47 -1.33 0.00 0.00 177.39 176.55 2f1d n ASP 31 N -2.12 3.79 -1.26 -1.43 8.00 -1.26 -4.87 116.55 117.40 2f1d n ASP 31 Ca 0.04 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 52.01 2f1d n ASP 31 Cb 0.29 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2f1d n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f1d n GLY 32 N 0.13 2.45 0.04 0.44 0.00 -1.14 -4.88 105.19 102.23 2f1d n GLY 32 Ca 0.30 -2.10 0.04 0.00 0.00 0.00 0.00 46.02 44.25 2f1d n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f1d n THR 33 N -0.54 1.26 -1.44 2.61 -2.24 -1.25 -4.72 114.28 107.96 2f1d n THR 33 Ca 0.00 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 2f1d n THR 33 Cb 0.00 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2f1d n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f1d n GLY 34 N -0.80 0.49 3.73 3.38 0.00 -1.22 -4.91 105.19 105.86 2f1d n GLY 34 Ca 0.06 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2f1d n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f1d s VAL 35 N -2.48 5.11 -0.36 1.61 1.01 -1.21 -4.54 120.40 119.54 2f1d s VAL 35 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 2f1d s VAL 35 Cb 0.00 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.57 2f1d s VAL 35 CO 0.00 0.34 0.13 0.00 0.00 0.00 0.00 175.10 175.58 2f1d s ALA 36 N 0.42 3.07 -0.48 5.51 0.00 -1.26 -1.50 121.76 127.52 2f1d s ALA 36 Ca 0.29 -1.92 0.07 0.00 0.00 0.00 0.00 51.96 50.40 2f1d s ALA 36 Cb -0.16 -2.32 0.26 0.00 0.00 0.00 0.00 23.12 20.90 2f1d s ALA 36 CO 0.13 -1.44 0.62 -3.47 0.00 0.00 0.00 175.76 171.60 2f1d n ASP 37 N 4.78 1.56 -3.99 0.00 4.64 -0.32 -5.04 116.55 118.18 2f1d n ASP 37 Ca -0.11 -2.99 -0.30 0.00 -1.38 0.00 0.00 54.79 50.01 2f1d n ASP 37 Cb 0.44 -0.65 -0.16 0.00 -1.04 0.00 0.00 41.12 39.71 2f1d n ASP 37 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2f1d s SER 38 N -1.76 3.18 -0.19 1.67 0.01 -1.26 -1.68 113.70 113.68 2f1d s SER 38 Ca 0.37 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 2f1d s SER 38 Cb 0.18 -1.19 0.05 0.00 0.21 0.00 0.00 66.02 65.27 2f1d s SER 38 CO -0.08 -0.13 -0.03 -0.55 0.41 0.00 0.00 173.24 172.87 2f1d s SER 39 N 1.44 3.07 -0.00 2.44 0.15 -1.22 -4.87 113.70 114.72 2f1d s SER 39 Ca 0.00 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 55.84 2f1d s SER 39 Cb -0.15 -0.88 -0.01 0.00 -1.71 0.00 0.00 66.02 63.27 2f1d s SER 39 CO -0.09 -0.23 0.02 -1.54 1.20 0.00 0.00 173.24 172.61 2f1d n SER 40 N 4.88 1.22 0.00 5.45 3.41 -1.26 -3.03 113.62 124.29 2f1d n SER 40 Ca -0.11 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2f1d n SER 40 Cb 0.47 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 2f1d n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f1d n GLY 41 N 1.37 1.67 2.94 5.00 0.00 -1.26 -4.39 105.19 110.52 2f1d n GLY 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2f1d n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f1d s ILE 42 N -2.35 1.89 0.49 -0.61 1.01 -1.26 -5.01 121.20 115.36 2f1d s ILE 42 Ca 0.00 -2.08 0.15 0.00 0.00 0.00 0.00 60.65 58.72 2f1d s ILE 42 Cb 0.00 -2.40 0.25 0.00 0.01 0.00 0.00 42.46 40.32 2f1d s ILE 42 CO 0.00 -0.61 2.10 -0.65 0.00 0.00 0.00 174.94 175.78 2f1d h PRO 43 N 7.74 0.06 0.02 2.79 0.11 -1.99 -1.10 132.00 139.64 2f1d h PRO 43 Ca -0.07 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.82 2f1d h PRO 43 Cb 1.02 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2f1d h PRO 43 CO 0.51 0.08 -0.96 0.35 -0.21 0.00 0.00 178.00 177.77 2f1d h PHE 44 N 0.06 0.34 -0.02 0.65 3.57 -1.95 -2.96 116.94 116.63 2f1d h PHE 44 Ca 0.02 -0.20 -0.14 0.00 3.53 0.00 0.00 57.97 61.18 2f1d h PHE 44 Cb 0.07 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2f1d h PHE 44 CO 0.00 1.05 -0.62 1.25 -2.23 0.00 0.00 178.31 177.76 2f1d h LEU 45 N 0.11 0.09 0.10 0.59 5.85 -1.86 -2.77 115.31 117.41 2f1d h LEU 45 Ca -0.06 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2f1d h LEU 45 Cb 1.62 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2f1d h LEU 45 CO 0.15 0.68 -0.05 0.44 -0.34 0.00 0.00 178.44 179.33 2f1d h ASP 46 N 0.06 -0.11 -0.52 1.25 3.32 -1.23 -2.34 116.42 116.85 2f1d h ASP 46 Ca -0.01 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.10 2f1d h ASP 46 Cb 1.10 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2f1d h ASP 46 CO 0.09 -0.05 0.35 -0.74 -1.72 0.00 0.00 179.24 177.17 2f1d h HIS 47 N -0.16 0.39 0.01 4.55 2.76 -1.33 -0.72 115.15 120.64 2f1d h HIS 47 Ca -0.01 0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 57.95 2f1d h HIS 47 Cb 0.13 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2f1d h HIS 47 CO -0.06 0.20 -0.92 0.52 -1.30 0.00 0.00 177.93 176.37 2f1d h MET 48 N 0.38 0.29 -0.05 5.26 2.86 -1.23 -2.69 114.93 119.74 2f1d h MET 48 Ca 0.23 -0.32 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 2f1d h MET 48 Cb 0.44 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2f1d h MET 48 CO -0.06 1.03 -0.49 -0.07 1.06 0.00 0.00 176.91 178.39 2f1d h LEU 49 N 0.16 0.14 -0.95 1.22 3.38 -0.67 0.36 115.31 118.95 2f1d h LEU 49 Ca -0.06 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2f1d h LEU 49 Cb 1.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2f1d h LEU 49 CO 0.15 0.61 -0.36 0.44 0.09 0.00 0.00 178.44 179.36 2f1d h ASP 50 N 0.11 0.32 -0.15 -0.43 3.32 -1.16 -2.09 116.42 116.34 2f1d h ASP 50 Ca 0.00 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 56.72 2f1d h ASP 50 Cb 0.90 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.37 2f1d h ASP 50 CO 0.07 0.67 -0.74 1.56 -1.72 0.00 0.00 179.24 179.08 2f1d h GLN 51 N 0.27 0.76 -0.83 3.56 1.08 -1.12 -2.62 115.11 116.21 2f1d h GLN 51 Ca 0.03 -0.62 0.07 0.00 -1.45 0.00 0.00 58.65 56.68 2f1d h GLN 51 Cb 0.77 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 28.27 2f1d h GLN 51 CO 0.06 1.23 0.54 1.25 -0.95 0.00 0.00 178.83 180.96 2f1d h LEU 52 N 0.49 0.78 -0.13 1.46 5.85 -0.70 -0.99 115.31 122.06 2f1d h LEU 52 Ca -0.05 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 2f1d h LEU 52 Cb 1.37 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2f1d h LEU 52 CO 0.15 0.49 -0.26 0.00 -0.34 0.00 0.00 178.44 178.49 2f1d h ALA 53 N 1.56 0.21 -0.24 1.25 0.00 -1.38 -3.01 119.26 117.65 2f1d h ALA 53 Ca 0.37 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2f1d h ALA 53 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2f1d h ALA 53 CO -0.14 0.20 -0.05 1.03 0.00 0.00 0.00 179.25 180.29 2f1d h SER 54 N 0.01 0.46 0.64 0.00 0.87 -1.06 -0.17 113.55 114.30 2f1d h SER 54 Ca 0.01 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2f1d h SER 54 Cb 0.85 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2f1d h SER 54 CO 0.06 0.71 -0.69 1.41 -0.53 0.00 0.00 176.83 177.79 2f1d n HIS 55 N -4.58 0.31 0.41 2.24 8.25 -0.42 -3.66 115.22 117.77 2f1d n HIS 55 Ca -0.04 0.09 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 2f1d n HIS 55 Cb 0.29 -0.47 -0.10 0.00 1.12 0.00 0.00 29.99 30.83 2f1d n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f1d n GLY 56 N 1.40 -0.53 3.59 -1.41 0.00 -1.14 -4.06 105.19 103.03 2f1d n GLY 56 Ca 0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 2f1d n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f1d n LEU 57 N -1.64 -3.51 -4.92 0.99 4.77 -0.13 -4.72 117.00 107.85 2f1d n LEU 57 Ca 0.00 -0.63 -0.30 0.00 -0.03 0.00 0.00 56.01 55.05 2f1d n LEU 57 Cb 0.30 -2.97 -0.04 0.00 -2.33 0.00 0.00 43.42 38.38 2f1d n LEU 57 CO 0.31 0.50 -0.05 -0.36 -1.33 0.00 0.00 177.39 176.46 2f1d s PHE 58 N -3.38 3.49 -0.39 -1.77 0.40 -0.88 -2.86 117.98 112.59 2f1d s PHE 58 Ca 0.30 0.35 -0.16 0.00 -0.60 0.00 0.00 56.93 56.82 2f1d s PHE 58 Cb -0.14 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.55 2f1d s PHE 58 CO 0.75 0.48 0.37 -0.51 0.70 0.00 0.00 175.22 177.02 2f1d s ASP 59 N -2.73 6.17 -0.24 1.36 1.01 -1.03 -3.34 116.67 117.87 2f1d s ASP 59 Ca 0.38 -0.54 -0.07 0.00 0.71 0.00 0.00 52.55 53.03 2f1d s ASP 59 Cb -0.12 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 2f1d s ASP 59 CO 0.27 -0.45 0.05 -0.69 0.21 0.00 0.00 175.17 174.56 2f1d s VAL 60 N 1.99 4.15 -0.28 -1.27 1.01 -0.56 -2.03 120.40 123.40 2f1d s VAL 60 Ca 0.10 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2f1d s VAL 60 Cb -0.17 -2.93 0.07 0.00 0.00 0.00 0.00 36.38 33.35 2f1d s VAL 60 CO 0.12 0.36 -0.06 -2.28 0.00 0.00 0.00 175.10 173.24 2f1d s HIS 61 N 1.55 3.30 0.15 5.22 5.04 -0.16 -1.18 115.29 129.21 2f1d s HIS 61 Ca 0.06 -2.46 0.09 0.00 -1.54 0.00 0.00 55.06 51.21 2f1d s HIS 61 Cb -0.15 -2.18 -0.04 0.00 0.04 0.00 0.00 32.58 30.25 2f1d s HIS 61 CO 0.02 -0.89 -0.14 0.08 -2.34 0.00 0.00 174.74 171.48 2f1d s VAL 62 N 1.08 3.02 -0.30 0.89 1.01 -0.68 -0.87 120.40 124.56 2f1d s VAL 62 Ca -0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.32 2f1d s VAL 62 Cb -0.20 -2.45 0.19 0.00 0.00 0.00 0.00 36.38 33.92 2f1d s VAL 62 CO -0.06 -0.03 0.76 -0.60 0.00 0.00 0.00 175.10 175.17 2f1d s ARG 63 N -2.55 0.42 0.07 2.72 3.52 -0.43 -3.39 118.95 119.31 2f1d s ARG 63 Ca 0.22 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 56.40 2f1d s ARG 63 Cb -0.09 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 2f1d s ARG 63 CO 0.13 -0.63 -0.06 0.00 -0.81 0.00 0.00 175.30 173.93 2f1d s ALA 64 N 2.88 0.73 -0.07 6.12 0.00 -1.17 -1.21 121.76 129.05 2f1d s ALA 64 Ca 0.14 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2f1d s ALA 64 Cb -0.10 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2f1d s ALA 64 CO -0.21 -0.18 0.17 0.99 0.00 0.00 0.00 175.76 176.53 2f1d s THR 65 N -2.80 -0.02 0.33 0.00 2.01 -1.03 -4.45 115.64 109.68 2f1d s THR 65 Ca 0.02 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 2f1d s THR 65 Cb -0.00 -0.26 0.06 0.00 0.01 0.00 0.00 72.50 72.31 2f1d s THR 65 CO -0.04 0.02 0.87 -0.83 -0.69 0.00 0.00 174.62 173.96 2f1d s GLY 66 N 0.47 0.31 -0.50 4.40 0.00 -1.26 -1.02 107.32 109.72 2f1d s GLY 66 Ca -0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 2f1d s GLY 66 CO -0.02 0.58 1.88 1.22 0.00 0.00 0.00 173.10 176.76 2f1d n ASP 67 N -1.39 3.41 0.24 1.64 10.43 -1.23 -4.60 116.55 125.05 2f1d n ASP 67 Ca -0.07 -2.15 0.11 0.00 2.57 0.00 0.00 54.79 55.25 2f1d n ASP 67 Cb 0.60 -0.87 0.54 0.00 1.84 0.00 0.00 41.12 43.23 2f1d n ASP 67 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 2f1d h VAL 68 N 3.25 0.52 0.00 2.53 2.07 -1.95 0.02 116.25 122.69 2f1d h VAL 68 Ca 0.30 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2f1d h VAL 68 Cb 0.29 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2f1d h VAL 68 CO 1.05 0.18 0.00 1.12 0.02 0.00 0.00 177.57 179.95 2f1d h HIS 69 N 0.00 0.00 0.00 1.57 2.07 -2.01 -3.24 115.15 113.54 2f1d h HIS 69 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2f1d h HIS 69 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 2f1d h HIS 69 CO 0.00 0.00 -0.31 0.82 -3.07 0.00 0.00 177.93 175.37 2f1d h ILE 70 N 0.00 0.00 -2.18 6.12 2.04 -1.38 -3.51 117.51 118.60 2f1d h ILE 70 Ca 0.00 -0.70 0.09 0.00 1.00 0.00 0.00 64.86 65.25 2f1d h ILE 70 Cb 0.16 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.08 2f1d h ILE 70 CO 0.00 0.00 0.47 -0.62 0.00 0.00 0.00 178.15 178.00 2f1d s ASP 71 N -5.02 -0.39 0.00 1.72 -1.08 -1.05 -5.03 116.67 105.81 2f1d s ASP 71 Ca -0.09 0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.29 2f1d s ASP 71 Cb 0.01 0.39 0.94 0.00 -1.46 0.00 0.00 42.92 42.80 2f1d s ASP 71 CO 0.13 -0.59 1.67 0.47 0.52 0.00 0.00 175.17 177.37 2f1d n ASP 72 N -0.02 1.52 0.26 -0.34 8.00 -1.26 -3.87 116.55 120.83 2f1d n ASP 72 Ca -0.10 -1.58 -0.16 0.00 0.71 0.00 0.00 54.79 53.66 2f1d n ASP 72 Cb 0.61 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.58 2f1d n ASP 72 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2f1d h HIS 73 N 2.20 -0.86 -0.78 1.24 2.76 -1.96 -0.23 115.15 117.52 2f1d h HIS 73 Ca 0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2f1d h HIS 73 Cb 0.47 0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.72 2f1d h HIS 73 CO 0.05 -0.48 0.35 0.45 -1.30 0.00 0.00 177.93 177.00 2f1d h HIS 74 N -0.75 1.16 -0.15 5.26 3.86 -1.94 -1.25 115.15 121.35 2f1d h HIS 74 Ca -0.04 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 58.96 2f1d h HIS 74 Cb 0.64 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 2f1d h HIS 74 CO -0.14 0.86 -0.52 1.15 0.86 0.00 0.00 177.93 180.14 2f1d h THR 75 N 1.12 1.33 -0.07 2.45 2.02 -1.83 -0.38 112.91 117.55 2f1d h THR 75 Ca 0.27 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.67 2f1d h THR 75 Cb 0.16 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2f1d h THR 75 CO -0.03 0.54 -0.02 -1.13 0.37 0.00 0.00 175.52 175.25 2f1d h ASN 76 N 0.32 0.14 -0.52 4.18 -0.73 -0.85 -2.65 115.58 115.46 2f1d h ASN 76 Ca 0.01 -0.37 -0.09 0.00 1.87 0.00 0.00 56.30 57.72 2f1d h ASN 76 Cb 1.02 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.55 2f1d h ASN 76 CO 0.09 0.48 -0.01 -0.08 -0.37 0.00 0.00 177.43 177.54 2f1d h GLU 77 N -0.20 0.97 0.00 6.67 4.81 -1.14 -2.62 114.58 123.07 2f1d h GLU 77 Ca 0.02 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 2f1d h GLU 77 Cb 0.42 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2f1d h GLU 77 CO 0.01 0.96 -0.61 -0.44 -0.73 0.00 0.00 179.01 178.19 2f1d h ASP 78 N 0.89 0.00 0.10 1.04 3.32 -1.12 -2.43 116.42 118.22 2f1d h ASP 78 Ca 0.16 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.00 2f1d h ASP 78 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2f1d h ASP 78 CO 0.03 0.61 -0.79 0.40 -1.72 0.00 0.00 179.24 177.77 2f1d h ILE 79 N 0.00 1.34 -0.15 0.35 2.04 -1.34 -2.45 117.51 117.30 2f1d h ILE 79 Ca -0.01 -2.12 -0.18 0.00 1.00 0.00 0.00 64.86 63.55 2f1d h ILE 79 Cb 1.21 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2f1d h ILE 79 CO 0.08 0.65 -0.65 0.00 0.00 0.00 0.00 178.15 178.23 2f1d h ALA 80 N 0.74 0.58 -0.35 1.87 0.00 -1.46 0.10 119.26 120.74 2f1d h ALA 80 Ca -0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 2f1d h ALA 80 Cb 1.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2f1d h ALA 80 CO 0.15 0.71 -0.03 -0.07 0.00 0.00 0.00 179.25 180.01 2f1d h LEU 81 N 0.41 0.63 -0.68 0.00 3.38 -1.48 -1.91 115.31 115.67 2f1d h LEU 81 Ca -0.02 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.64 2f1d h LEU 81 Cb 1.23 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2f1d h LEU 81 CO 0.12 0.81 0.44 0.00 0.09 0.00 0.00 178.44 179.90 2f1d h ALA 82 N 0.85 0.86 -0.58 1.53 0.00 -1.34 -2.09 119.26 118.49 2f1d h ALA 82 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2f1d h ALA 82 Cb 0.50 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2f1d h ALA 82 CO 0.02 0.26 0.15 0.82 0.00 0.00 0.00 179.25 180.50 2f1d h ILE 83 N 0.89 1.23 0.02 0.00 2.04 -0.57 -0.83 117.51 120.29 2f1d h ILE 83 Ca 0.25 -0.84 -0.22 0.00 1.00 0.00 0.00 64.86 65.05 2f1d h ILE 83 Cb -0.08 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2f1d h ILE 83 CO -0.07 0.32 -0.96 1.23 0.00 0.00 0.00 178.15 178.67 2f1d h GLY 84 N 1.00 0.37 0.87 5.37 0.00 -1.16 -1.73 103.07 107.81 2f1d h GLY 84 Ca 0.19 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2f1d h GLY 84 CO -0.00 0.61 0.06 -0.84 0.00 0.00 0.00 176.54 176.37 2f1d h THR 85 N 0.18 1.17 -0.84 4.70 2.02 -1.25 -2.44 112.91 116.44 2f1d h THR 85 Ca -0.08 -0.52 0.09 0.00 0.77 0.00 0.00 66.41 66.67 2f1d h THR 85 Cb 1.60 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 69.13 2f1d h THR 85 CO 0.16 0.16 0.50 0.00 0.37 0.00 0.00 175.52 176.71 2f1d h ALA 86 N 0.90 1.20 -0.65 6.16 0.00 -1.10 -1.70 119.26 124.07 2f1d h ALA 86 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2f1d h ALA 86 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2f1d h ALA 86 CO -0.00 0.16 0.27 1.25 0.00 0.00 0.00 179.25 180.92 2f1d h LEU 87 N 0.85 0.87 -0.36 0.00 5.85 -1.20 -2.08 115.31 119.23 2f1d h LEU 87 Ca 0.40 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.88 2f1d h LEU 87 Cb 0.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2f1d h LEU 87 CO -0.23 0.77 -0.27 0.25 -0.34 0.00 0.00 178.44 178.62 2f1d h LEU 88 N 0.94 0.87 -0.45 2.25 5.85 -0.84 -2.58 115.31 121.34 2f1d h LEU 88 Ca 0.22 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2f1d h LEU 88 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2f1d h LEU 88 CO -0.02 1.12 0.21 0.11 -0.34 0.00 0.00 178.44 179.52 2f1d h LYS 89 N 0.62 0.66 0.00 1.25 1.57 -1.16 -3.15 116.57 116.35 2f1d h LYS 89 Ca 0.07 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2f1d h LYS 89 Cb 0.84 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2f1d h LYS 89 CO 0.07 0.57 -0.42 0.00 -0.57 0.00 0.00 179.45 179.11 2f1d h ALA 90 N 1.05 1.10 -0.04 3.86 0.00 -1.33 -3.01 119.26 120.89 2f1d h ALA 90 Ca 0.15 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2f1d h ALA 90 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2f1d h ALA 90 CO -0.02 0.52 -0.67 -0.07 0.00 0.00 0.00 179.25 179.02 2f1d h LEU 91 N 0.00 0.22 0.00 0.00 3.38 -1.45 -3.41 115.31 114.05 2f1d h LEU 91 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2f1d h LEU 91 Cb 0.85 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2f1d h LEU 91 CO 0.05 0.82 0.00 0.61 0.09 0.00 0.00 178.44 180.01 2f1d n GLY 92 N 0.40 1.04 0.49 0.83 0.00 -1.14 -2.07 105.19 104.74 2f1d n GLY 92 Ca -0.02 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.41 2f1d n GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2f1d n GLU 93 N 12.47 1.62 -2.07 1.61 -0.00 -1.26 -4.94 120.64 128.08 2f1d n GLU 93 Ca 0.00 -0.86 -0.14 0.00 -0.00 0.00 0.00 57.16 56.16 2f1d n GLU 93 Cb 0.00 -1.25 -0.02 0.00 -0.00 0.00 0.00 31.44 30.17 2f1d n GLU 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2f1d n ARG 94 N 0.18 -1.11 -3.02 3.44 1.74 -0.88 -4.95 116.66 112.06 2f1d n ARG 94 Ca 0.08 0.77 -0.40 0.00 -0.77 0.00 0.00 57.85 57.54 2f1d n ARG 94 Cb 0.24 -5.03 -0.06 0.00 -1.02 0.00 0.00 32.46 26.59 2f1d n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2f1d s LYS 95 N -4.36 4.49 0.00 5.56 -0.14 -1.26 -3.96 119.74 120.07 2f1d s LYS 95 Ca 0.00 1.06 0.00 0.00 -1.36 0.00 0.00 55.97 55.67 2f1d s LYS 95 Cb 0.00 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 2f1d s LYS 95 CO 0.00 0.44 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 2f1d n GLY 96 N 2.00 0.78 3.87 -3.33 0.00 -1.26 -4.98 105.19 102.27 2f1d n GLY 96 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2f1d n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f1d s ILE 97 N -2.44 4.75 0.19 -0.61 -4.36 -1.25 -1.17 121.20 116.30 2f1d s ILE 97 Ca 0.00 0.71 -0.11 0.00 -0.26 0.00 0.00 60.65 60.99 2f1d s ILE 97 Cb 0.00 -3.74 0.11 0.00 1.25 0.00 0.00 42.46 40.08 2f1d s ILE 97 CO 0.00 -0.58 1.78 0.78 0.24 0.00 0.00 174.94 177.16 2f1d h ASN 98 N 1.11 0.89 0.00 4.36 2.35 -0.33 -3.45 115.58 120.51 2f1d h ASN 98 Ca -0.47 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 2f1d h ASN 98 Cb 1.19 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2f1d h ASN 98 CO 0.63 0.77 0.00 -1.14 -1.65 0.00 0.00 177.43 176.05 2f1d n ARG 99 N -4.45 0.00 -3.88 0.81 0.63 -0.64 -4.91 116.66 104.22 2f1d n ARG 99 Ca 0.05 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.63 2f1d n ARG 99 Cb 0.13 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.94 2f1d n ARG 99 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2f1d s PHE 100 N -0.04 3.24 -0.01 -0.14 0.40 -1.26 -2.26 117.98 117.92 2f1d s PHE 100 Ca 0.00 0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 2f1d s PHE 100 Cb 0.00 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 2f1d s PHE 100 CO 0.00 0.06 -0.16 0.20 0.70 0.00 0.00 175.22 176.01 2f1d s GLY 101 N 0.73 1.53 -0.27 4.36 0.00 -1.19 -4.37 107.32 108.11 2f1d s GLY 101 Ca 0.05 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.66 2f1d s GLY 101 CO 0.02 -0.90 0.12 -0.35 0.00 0.00 0.00 173.10 171.99 2f1d s ASP 102 N -1.00 3.34 -0.02 1.64 2.15 -1.26 -2.24 116.67 119.29 2f1d s ASP 102 Ca 0.13 -1.18 -0.01 0.00 0.43 0.00 0.00 52.55 51.92 2f1d s ASP 102 Cb -0.11 -0.36 0.02 0.00 -0.30 0.00 0.00 42.92 42.17 2f1d s ASP 102 CO 0.02 -0.42 0.04 0.12 -0.17 0.00 0.00 175.17 174.76 2f1d s PHE 103 N 2.08 -0.01 -0.25 -5.34 5.36 -0.99 -4.96 117.98 113.87 2f1d s PHE 103 Ca 0.08 0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 56.15 2f1d s PHE 103 Cb -0.16 -0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.43 2f1d s PHE 103 CO -0.31 -0.06 -0.05 0.99 -1.46 0.00 0.00 175.22 174.33 2f1d s THR 104 N 0.57 3.01 -0.09 0.12 2.01 -1.26 -2.07 115.64 117.94 2f1d s THR 104 Ca -0.05 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2f1d s THR 104 Cb -0.07 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2f1d s THR 104 CO -0.02 0.21 -0.13 0.00 -0.69 0.00 0.00 174.62 173.99 2f1d s ALA 105 N 1.36 2.65 0.24 7.40 0.00 -0.73 -4.96 121.76 127.72 2f1d s ALA 105 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2f1d s ALA 105 Cb -0.16 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2f1d s ALA 105 CO -0.04 0.41 0.41 -1.25 0.00 0.00 0.00 175.76 175.29 2f1d s PRO 106 N -0.23 3.48 -0.37 0.00 0.04 -1.26 -2.08 135.00 134.59 2f1d s PRO 106 Ca 0.01 -0.49 0.01 0.00 0.04 0.00 0.00 61.00 60.57 2f1d s PRO 106 Cb -0.13 -2.83 0.15 0.00 0.04 0.00 0.00 34.50 31.73 2f1d s PRO 106 CO 0.03 0.37 0.27 -1.17 0.04 0.00 0.00 177.00 176.53 2f1d s LEU 107 N -3.74 0.85 0.00 -3.56 2.96 -0.09 -4.95 118.68 110.16 2f1d s LEU 107 Ca 0.37 -2.26 0.00 0.00 -0.22 0.00 0.00 54.13 52.02 2f1d s LEU 107 Cb -0.10 -0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.37 2f1d s LEU 107 CO 0.31 -0.27 0.00 0.47 -1.32 0.00 0.00 176.35 175.54 2f1d n ASP 108 N 3.81 0.00 0.15 3.68 8.00 -1.26 -2.90 116.55 128.04 2f1d n ASP 108 Ca 0.16 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.78 2f1d n ASP 108 Cb 0.41 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.80 2f1d n ASP 108 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2f1d h GLU 109 N 0.00 0.00 -6.61 -1.24 9.09 -1.97 -3.45 114.58 110.40 2f1d h GLU 109 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 2f1d h GLU 109 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 2f1d h GLU 109 CO 0.00 0.00 0.12 0.00 0.05 0.00 0.00 179.01 179.18 2f1d s ALA 110 N -3.15 3.39 -0.26 1.06 0.00 -1.14 -3.72 121.76 117.93 2f1d s ALA 110 Ca 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 2f1d s ALA 110 Cb 0.09 -2.84 0.13 0.00 0.00 0.00 0.00 23.12 20.51 2f1d s ALA 110 CO 0.64 0.32 0.34 -1.17 0.00 0.00 0.00 175.76 175.89 2f1d s LEU 111 N -2.07 -0.50 -0.02 0.00 2.96 -1.01 -0.91 118.68 117.13 2f1d s LEU 111 Ca 0.44 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 2f1d s LEU 111 Cb -0.16 0.86 -0.03 0.00 0.50 0.00 0.00 46.19 47.36 2f1d s LEU 111 CO 0.21 -0.34 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.10 2f1d s ILE 112 N 2.47 2.83 -0.18 6.68 -1.09 -0.88 -1.31 121.20 129.72 2f1d s ILE 112 Ca 0.10 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 2f1d s ILE 112 Cb -0.14 -2.12 0.02 0.00 -1.58 0.00 0.00 42.46 38.64 2f1d s ILE 112 CO -0.22 0.51 -0.19 -2.28 -1.23 0.00 0.00 174.94 171.53 2f1d s HIS 113 N -0.78 2.69 -0.23 3.97 5.65 0.12 -1.77 115.29 124.94 2f1d s HIS 113 Ca 0.12 -1.59 -0.01 0.00 0.25 0.00 0.00 55.06 53.83 2f1d s HIS 113 Cb -0.10 -1.87 0.02 0.00 -1.18 0.00 0.00 32.58 29.44 2f1d s HIS 113 CO 0.02 -0.79 -0.08 0.08 -0.65 0.00 0.00 174.74 173.32 2f1d s VAL 114 N 1.31 2.80 -0.03 0.89 1.01 -0.88 -0.66 120.40 124.84 2f1d s VAL 114 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2f1d s VAL 114 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2f1d s VAL 114 CO -0.13 0.28 -0.09 -0.55 0.00 0.00 0.00 175.10 174.62 2f1d s SER 115 N 1.34 4.49 0.23 3.32 0.15 -0.88 -2.36 113.70 119.99 2f1d s SER 115 Ca 0.02 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 2f1d s SER 115 Cb -0.16 -1.05 -0.01 0.00 -1.71 0.00 0.00 66.02 63.10 2f1d s SER 115 CO -0.06 0.32 0.43 -1.48 1.20 0.00 0.00 173.24 173.65 2f1d s LEU 116 N -1.10 0.45 -0.27 3.45 0.05 -0.95 -1.17 118.68 119.13 2f1d s LEU 116 Ca 0.14 -0.93 -0.05 0.00 0.05 0.00 0.00 54.13 53.35 2f1d s LEU 116 Cb -0.11 1.61 0.15 0.00 -2.05 0.00 0.00 46.19 45.79 2f1d s LEU 116 CO 0.04 -1.08 0.54 -0.62 -0.55 0.00 0.00 176.35 174.68 2f1d s ASP 117 N -3.01 -0.84 -1.14 1.48 -1.08 -0.28 -3.18 116.67 108.61 2f1d s ASP 117 Ca 0.22 0.98 -0.21 0.00 -0.52 0.00 0.00 52.55 53.03 2f1d s ASP 117 Cb 0.00 1.89 0.06 0.00 -1.46 0.00 0.00 42.92 43.41 2f1d s ASP 117 CO 0.07 -0.25 1.58 -0.76 0.52 0.00 0.00 175.17 176.34 2f1d s LEU 118 N 2.77 3.64 -0.12 -1.34 1.43 -0.96 -0.82 118.68 123.28 2f1d s LEU 118 Ca 0.08 -1.86 0.17 0.00 -1.03 0.00 0.00 54.13 51.48 2f1d s LEU 118 Cb -0.14 -2.57 -0.25 0.00 0.03 0.00 0.00 46.19 43.26 2f1d s LEU 118 CO -0.18 -1.40 0.19 -1.54 0.23 0.00 0.00 176.35 173.65 2f1d n SER 119 N 8.80 0.64 0.00 2.29 3.41 -1.14 -4.98 113.62 122.64 2f1d n SER 119 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2f1d n SER 119 Cb 0.49 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 2f1d n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f1d n GLY 120 N 1.74 2.92 3.54 5.00 0.00 0.58 -5.05 105.19 113.91 2f1d n GLY 120 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2f1d n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f1d s ARG 121 N -0.91 3.63 -0.07 1.61 0.52 -1.18 -4.77 118.95 117.77 2f1d s ARG 121 Ca 0.00 -0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 54.45 2f1d s ARG 121 Cb 0.00 -2.93 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 2f1d s ARG 121 CO 0.00 0.30 0.89 -1.25 0.02 0.00 0.00 175.30 175.26 2f1d s PRO 122 N 0.21 4.45 -0.01 3.54 0.04 -1.26 -3.54 135.00 138.43 2f1d s PRO 122 Ca -0.01 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.17 2f1d s PRO 122 Cb -0.14 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2f1d s PRO 122 CO 0.02 -0.14 0.13 -0.47 0.04 0.00 0.00 177.00 176.58 2f1d s TYR 123 N 1.42 0.01 -0.18 0.56 5.04 -0.95 -4.96 117.35 118.29 2f1d s TYR 123 Ca 0.45 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.03 2f1d s TYR 123 Cb -0.19 -0.03 0.05 0.00 0.35 0.00 0.00 41.96 42.14 2f1d s TYR 123 CO 0.20 -0.23 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.97 2f1d s LEU 124 N -1.05 1.66 -0.51 6.97 2.96 -1.26 -2.08 118.68 125.38 2f1d s LEU 124 Ca -0.11 -0.75 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 2f1d s LEU 124 Cb -0.06 -0.89 0.05 0.00 0.50 0.00 0.00 46.19 45.79 2f1d s LEU 124 CO 0.01 -0.21 0.70 -0.83 -1.32 0.00 0.00 176.35 174.69 2f1d s GLY 125 N 1.64 1.68 -0.32 7.98 0.00 0.05 -5.00 107.32 113.36 2f1d s GLY 125 Ca -0.01 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.17 2f1d s GLY 125 CO -0.07 1.61 0.01 -0.47 0.00 0.00 0.00 173.10 174.18 2f1d s TYR 126 N 2.95 3.44 -0.68 1.90 5.04 -1.26 -0.61 117.35 128.12 2f1d s TYR 126 Ca 0.19 -2.37 0.05 0.00 -2.44 0.00 0.00 57.07 52.51 2f1d s TYR 126 Cb -0.17 -2.43 0.22 0.00 0.35 0.00 0.00 41.96 39.92 2f1d s TYR 126 CO 0.14 -0.89 0.65 0.09 -1.34 0.00 0.00 175.55 174.21 2f1d n ASN 127 N 4.47 3.49 -4.26 4.32 4.13 -0.85 -5.03 115.26 121.54 2f1d n ASN 127 Ca -0.08 -3.35 -0.31 0.00 1.68 0.00 0.00 54.58 52.53 2f1d n ASN 127 Cb 0.42 -0.72 -0.16 0.00 -1.54 0.00 0.00 39.78 37.78 2f1d n ASN 127 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2f1d s LEU 128 N -2.06 2.06 -0.44 3.41 2.96 -1.26 -2.41 118.68 120.95 2f1d s LEU 128 Ca 0.33 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2f1d s LEU 128 Cb 0.07 -1.34 0.12 0.00 0.50 0.00 0.00 46.19 45.53 2f1d s LEU 128 CO -0.08 0.23 0.18 -1.83 -1.32 0.00 0.00 176.35 173.53 2f1d s GLU 129 N -0.12 1.64 -0.46 1.98 -1.05 -1.26 -5.08 118.70 114.35 2f1d s GLU 129 Ca -0.04 -2.20 -0.21 0.00 -0.15 0.00 0.00 54.97 52.37 2f1d s GLU 129 Cb -0.14 -3.07 0.03 0.00 -0.44 0.00 0.00 34.13 30.51 2f1d s GLU 129 CO 0.04 -1.05 0.69 0.42 0.95 0.00 0.00 175.26 176.31 2f1d s ILE 130 N 0.31 4.77 -1.87 1.83 1.01 -1.26 -4.95 121.20 121.04 2f1d s ILE 130 Ca 0.15 0.09 0.21 0.00 0.00 0.00 0.00 60.65 61.09 2f1d s ILE 130 Cb -0.23 -4.27 0.54 0.00 0.01 0.00 0.00 42.46 38.52 2f1d s ILE 130 CO -0.04 -0.69 1.65 -0.81 0.00 0.00 0.00 174.94 175.04 2f1d n PRO 131 N 6.42 0.58 -4.46 2.79 -0.04 -1.26 -4.70 135.00 134.32 2f1d n PRO 131 Ca -0.01 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.24 2f1d n PRO 131 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2f1d n PRO 131 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2f1d s THR 132 N -2.13 1.95 -0.25 0.52 -4.23 -1.26 -5.06 115.64 105.18 2f1d s THR 132 Ca 0.29 -2.20 0.22 0.00 -1.18 0.00 0.00 61.69 58.82 2f1d s THR 132 Cb 0.14 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.58 2f1d s THR 132 CO 0.26 -0.33 1.09 1.56 -0.54 0.00 0.00 174.62 176.66 2f1d h GLN 133 N 2.24 0.00 -3.35 3.99 4.20 -1.96 -3.44 115.11 116.78 2f1d h GLN 133 Ca -0.40 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.10 2f1d h GLN 133 Cb 1.24 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.74 2f1d h GLN 133 CO 0.66 0.01 -0.56 0.50 -0.67 0.00 0.00 178.83 178.77 2f1d s ARG 134 N -3.34 0.15 -0.28 1.46 3.52 -1.26 -1.71 118.95 117.49 2f1d s ARG 134 Ca 0.00 0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 2f1d s ARG 134 Cb 0.09 0.01 0.07 0.00 -1.56 0.00 0.00 34.95 33.56 2f1d s ARG 134 CO 0.78 -0.06 -0.06 0.14 -0.81 0.00 0.00 175.30 175.29 2f1d s VAL 135 N 0.38 2.31 0.00 7.11 -7.23 -1.05 -4.95 120.40 116.97 2f1d s VAL 135 Ca -0.02 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2f1d s VAL 135 Cb -0.04 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2f1d s VAL 135 CO -0.02 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2f1d n GLY 136 N 4.43 3.81 1.24 2.32 0.00 -1.26 -2.15 105.19 113.58 2f1d n GLY 136 Ca -0.11 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.94 2f1d n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f1d n THR 137 N 0.00 2.50 -3.79 2.61 -2.24 -1.26 -4.98 114.28 107.12 2f1d n THR 137 Ca 0.00 -1.92 -0.36 0.00 -2.27 0.00 0.00 64.05 59.50 2f1d n THR 137 Cb 0.00 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 2f1d n THR 137 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2f1d s TYR 138 N -2.92 3.06 0.08 4.78 5.04 -0.91 -4.99 117.35 121.49 2f1d s TYR 138 Ca 0.46 -0.51 -0.31 0.00 -2.44 0.00 0.00 57.07 54.27 2f1d s TYR 138 Cb 0.38 -2.21 -0.09 0.00 0.35 0.00 0.00 41.96 40.38 2f1d s TYR 138 CO 0.09 -0.39 1.79 0.34 -1.34 0.00 0.00 175.55 176.04 2f1d s ASP 139 N 1.57 6.49 0.44 4.32 -1.08 -1.26 -2.54 116.67 124.61 2f1d s ASP 139 Ca 0.06 2.64 0.10 0.00 -0.52 0.00 0.00 52.55 54.83 2f1d s ASP 139 Cb -0.15 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 39.73 2f1d s ASP 139 CO 0.02 -0.97 2.08 0.74 0.52 0.00 0.00 175.17 177.56 2f1d h THR 140 N 4.92 1.08 0.00 1.71 2.02 -1.63 -2.00 112.91 119.00 2f1d h THR 140 Ca -0.45 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 2f1d h THR 140 Cb 1.21 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2f1d h THR 140 CO 0.94 0.08 -0.20 1.56 0.37 0.00 0.00 175.52 178.27 2f1d h GLN 141 N 0.39 0.00 0.00 6.66 4.20 -1.90 -3.06 115.11 121.40 2f1d h GLN 141 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2f1d h GLN 141 Cb -0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2f1d h GLN 141 CO -0.02 0.20 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.25 2f1d h LEU 142 N 0.00 0.00 -0.19 1.46 4.07 -1.75 -2.80 115.31 116.09 2f1d h LEU 142 Ca -0.00 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.99 2f1d h LEU 142 Cb 0.42 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 2f1d h LEU 142 CO 0.03 0.01 -0.03 0.58 -1.08 0.00 0.00 178.44 177.95 2f1d h VAL 143 N 0.00 0.82 -0.80 1.22 2.07 -1.71 0.28 116.25 118.14 2f1d h VAL 143 Ca -0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2f1d h VAL 143 Cb 0.33 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2f1d h VAL 143 CO 0.00 0.00 0.52 -0.08 0.02 0.00 0.00 177.57 178.04 2f1d h GLU 144 N 0.02 1.02 -0.26 1.57 4.81 -1.72 -2.69 114.58 117.32 2f1d h GLU 144 Ca 0.09 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2f1d h GLU 144 Cb 0.13 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2f1d h GLU 144 CO -0.19 0.68 -0.25 1.25 -0.73 0.00 0.00 179.01 179.77 2f1d h HIS 145 N 1.05 0.57 0.59 0.92 2.76 -1.41 0.00 115.15 119.62 2f1d h HIS 145 Ca 0.30 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2f1d h HIS 145 Cb -0.08 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 28.74 2f1d h HIS 145 CO -0.02 0.71 -0.28 0.35 -1.30 0.00 0.00 177.93 177.39 2f1d h PHE 146 N 0.45 -0.73 -0.68 5.26 3.57 -0.63 0.83 116.94 125.01 2f1d h PHE 146 Ca 0.07 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2f1d h PHE 146 Cb 0.67 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2f1d h PHE 146 CO 0.02 -0.42 0.27 0.74 -2.23 0.00 0.00 178.31 176.69 2f1d h PHE 147 N -0.87 1.04 -0.22 0.41 -1.00 -1.41 0.90 116.94 115.80 2f1d h PHE 147 Ca -0.08 -0.08 0.05 0.00 2.81 0.00 0.00 57.97 60.67 2f1d h PHE 147 Cb 0.63 -0.31 -0.05 0.00 3.61 0.00 0.00 35.95 39.83 2f1d h PHE 147 CO -0.02 0.81 -0.10 0.37 -1.61 0.00 0.00 178.31 177.76 2f1d h GLN 148 N 0.97 -0.07 -0.33 1.51 5.75 -0.89 0.25 115.11 122.30 2f1d h GLN 148 Ca 0.23 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2f1d h GLN 148 Cb 0.21 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2f1d h GLN 148 CO -0.02 -0.05 -0.00 0.77 -2.65 0.00 0.00 178.83 176.88 2f1d h SER 149 N -0.07 0.58 -0.31 -0.69 0.02 -0.52 -1.90 113.55 110.66 2f1d h SER 149 Ca 0.12 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2f1d h SER 149 Cb 0.25 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2f1d h SER 149 CO -0.27 0.74 0.13 0.25 -1.14 0.00 0.00 176.83 176.55 2f1d h LEU 150 N 0.39 0.47 -0.46 5.07 6.46 -0.59 -2.36 115.31 124.29 2f1d h LEU 150 Ca 0.09 -0.05 -0.16 0.00 -0.12 0.00 0.00 57.88 57.64 2f1d h LEU 150 Cb 0.45 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2f1d h LEU 150 CO 0.02 0.45 -0.77 0.58 -0.62 0.00 0.00 178.44 178.09 2f1d h VAL 151 N 0.52 1.53 0.47 1.05 2.07 -0.21 -2.45 116.25 119.24 2f1d h VAL 151 Ca 0.13 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 2f1d h VAL 151 Cb 0.13 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2f1d h VAL 151 CO -0.01 0.74 -0.22 0.78 0.02 0.00 0.00 177.57 178.87 2f1d h ASN 152 N 0.02 -0.53 0.69 0.57 2.35 -0.80 -2.73 115.58 115.16 2f1d h ASN 152 Ca -0.01 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2f1d h ASN 152 Cb 1.36 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.85 2f1d h ASN 152 CO 0.10 -0.31 -0.34 0.71 -1.65 0.00 0.00 177.43 175.95 2f1d h THR 153 N -0.77 0.90 -0.29 2.81 1.35 -1.68 -3.25 112.91 111.98 2f1d h THR 153 Ca -0.06 -1.34 -0.17 0.00 -0.55 0.00 0.00 66.41 64.29 2f1d h THR 153 Cb 0.48 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2f1d h THR 153 CO 0.11 0.33 -0.48 -1.28 -0.25 0.00 0.00 175.52 173.94 2f1d h SER 154 N 0.00 0.88 -0.98 5.36 0.87 -1.50 -3.39 113.55 114.79 2f1d h SER 154 Ca -0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2f1d h SER 154 Cb 0.78 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2f1d h SER 154 CO 0.04 1.21 0.00 0.61 -0.53 0.00 0.00 176.83 178.16 2f1d n GLY 155 N 0.23 0.95 3.42 5.77 0.00 -1.03 -4.71 105.19 109.83 2f1d n GLY 155 Ca -0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2f1d n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2f1d s MET 156 N -4.76 1.71 -0.13 1.61 -2.45 -1.24 -0.31 119.30 113.73 2f1d s MET 156 Ca 0.00 -1.19 -0.17 0.00 -1.25 0.00 0.00 55.69 53.09 2f1d s MET 156 Cb 0.00 -2.03 -0.04 0.00 1.25 0.00 0.00 34.83 34.01 2f1d s MET 156 CO 0.00 0.49 0.42 0.99 1.05 0.00 0.00 175.02 177.97 2f1d s THR 157 N -1.01 5.23 -0.22 10.11 2.01 0.00 -2.24 115.64 129.52 2f1d s THR 157 Ca 0.15 0.82 -0.04 0.00 0.31 0.00 0.00 61.69 62.93 2f1d s THR 157 Cb -0.10 -3.76 0.09 0.00 0.01 0.00 0.00 72.50 68.74 2f1d s THR 157 CO 0.06 0.34 0.19 -0.22 -0.69 0.00 0.00 174.62 174.31 2f1d s LEU 158 N 0.59 0.03 0.05 4.42 2.96 -0.88 -1.13 118.68 124.72 2f1d s LEU 158 Ca 0.23 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 2f1d s LEU 158 Cb -0.14 0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.69 2f1d s LEU 158 CO 0.08 -0.35 0.34 -1.00 -1.32 0.00 0.00 176.35 174.10 2f1d s HIS 159 N 2.27 3.58 -0.22 5.38 3.76 -0.32 -0.77 115.29 128.98 2f1d s HIS 159 Ca 0.06 0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 55.62 2f1d s HIS 159 Cb -0.16 -2.08 0.07 0.00 1.11 0.00 0.00 32.58 31.52 2f1d s HIS 159 CO -0.16 0.56 0.10 0.42 -0.85 0.00 0.00 174.74 174.81 2f1d s ILE 160 N -1.35 -0.01 -0.17 0.60 1.01 0.22 -2.08 121.20 119.42 2f1d s ILE 160 Ca 0.30 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 2f1d s ILE 160 Cb -0.14 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 2f1d s ILE 160 CO 0.17 -0.44 -0.04 -0.13 0.00 0.00 0.00 174.94 174.50 2f1d s ARG 161 N 2.09 3.58 -0.40 2.79 0.52 0.16 -2.01 118.95 125.69 2f1d s ARG 161 Ca 0.04 -0.56 -0.24 0.00 -0.52 0.00 0.00 55.73 54.46 2f1d s ARG 161 Cb -0.16 -2.93 0.02 0.00 0.52 0.00 0.00 34.95 32.40 2f1d s ARG 161 CO -0.19 0.13 0.85 -1.14 0.02 0.00 0.00 175.30 174.97 2f1d s GLN 162 N 0.66 3.68 0.03 3.54 0.74 -1.01 -0.70 119.66 126.59 2f1d s GLN 162 Ca -0.02 0.29 0.22 0.00 0.05 0.00 0.00 55.36 55.90 2f1d s GLN 162 Cb -0.14 -3.85 -0.26 0.00 1.10 0.00 0.00 33.01 29.86 2f1d s GLN 162 CO 0.02 -0.99 0.62 1.28 -0.55 0.00 0.00 175.29 175.67 2f1d n LEU 163 N 6.71 0.21 -3.53 3.68 4.77 -0.43 -5.01 117.00 123.41 2f1d n LEU 163 Ca 0.05 0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 2f1d n LEU 163 Cb 0.48 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2f1d n LEU 163 CO 0.58 -0.04 0.58 0.00 -1.33 0.00 0.00 177.39 177.18 2f1d s ALA 164 N -3.48 -1.83 0.00 -1.18 0.00 -1.14 -4.93 121.76 109.21 2f1d s ALA 164 Ca -0.06 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2f1d s ALA 164 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2f1d s ALA 164 CO 0.88 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.65 2f1d n GLY 165 N 0.67 3.05 1.11 0.00 0.00 -1.24 -2.41 105.19 106.36 2f1d n GLY 165 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2f1d n GLY 165 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f1d n GLU 166 N -0.53 0.00 -3.44 1.61 1.02 -1.26 -5.01 120.64 113.03 2f1d n GLU 166 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2f1d n GLU 166 Cb 0.00 -0.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.94 2f1d n GLU 166 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2f1d s ASN 167 N -4.67 6.35 0.08 1.62 3.84 -1.26 -4.70 114.94 116.20 2f1d s ASN 167 Ca 0.00 0.41 -0.32 0.00 0.21 0.00 0.00 52.86 53.16 2f1d s ASN 167 Cb 0.00 -2.21 -0.16 0.00 -0.55 0.00 0.00 41.25 38.33 2f1d s ASN 167 CO 0.00 -0.07 1.63 0.28 -2.79 0.00 0.00 177.10 176.15 2f1d h SER 168 N 7.52 -0.81 -0.83 -4.21 0.02 -1.98 -1.39 113.55 111.87 2f1d h SER 168 Ca -0.36 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 60.82 2f1d h SER 168 Cb 1.16 0.24 -0.15 0.00 0.14 0.00 0.00 62.40 63.79 2f1d h SER 168 CO 0.70 -0.50 -0.12 -0.74 -1.14 0.00 0.00 176.83 175.03 2f1d h HIS 169 N -0.79 -0.28 -0.63 3.45 6.17 -1.96 -0.35 115.15 120.76 2f1d h HIS 169 Ca -0.06 0.07 -0.09 0.00 0.71 0.00 0.00 60.37 61.01 2f1d h HIS 169 Cb 0.65 0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.81 2f1d h HIS 169 CO -0.11 -0.33 0.05 0.45 0.71 0.00 0.00 177.93 178.70 2f1d h HIS 170 N 0.03 1.15 -0.12 5.26 3.86 -1.82 -1.24 115.15 122.28 2f1d h HIS 170 Ca 0.43 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2f1d h HIS 170 Cb 0.72 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 2f1d h HIS 170 CO -0.57 0.99 -0.05 0.82 0.86 0.00 0.00 177.93 179.98 2f1d h ILE 171 N 0.99 1.31 -0.57 2.45 2.04 -0.01 -0.51 117.51 123.22 2f1d h ILE 171 Ca 0.19 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 2f1d h ILE 171 Cb 0.49 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2f1d h ILE 171 CO 0.02 0.31 0.06 0.40 0.00 0.00 0.00 178.15 178.94 2f1d h ILE 172 N -0.10 1.25 -0.16 -0.67 2.04 -1.17 -2.29 117.51 116.41 2f1d h ILE 172 Ca 0.03 -1.00 -0.20 0.00 1.00 0.00 0.00 64.86 64.69 2f1d h ILE 172 Cb 0.51 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2f1d h ILE 172 CO 0.02 0.37 -0.70 -0.08 0.00 0.00 0.00 178.15 177.76 2f1d h GLU 173 N 0.88 0.66 0.00 2.37 4.81 -1.11 -2.46 114.58 119.73 2f1d h GLU 173 Ca 0.17 -0.50 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2f1d h GLU 173 Cb 0.43 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2f1d h GLU 173 CO 0.01 1.12 -0.37 0.00 -0.73 0.00 0.00 179.01 179.04 2f1d h ALA 174 N 0.75 1.19 -0.38 2.92 0.00 -1.08 -1.57 119.26 121.09 2f1d h ALA 174 Ca -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2f1d h ALA 174 Cb 1.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2f1d h ALA 174 CO 0.14 0.47 0.07 1.15 0.00 0.00 0.00 179.25 181.08 2f1d h THR 175 N 0.00 1.23 0.00 0.00 2.02 -0.96 -1.36 112.91 113.84 2f1d h THR 175 Ca -0.00 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 2f1d h THR 175 Cb 0.75 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2f1d h THR 175 CO 0.05 0.28 -0.46 -0.26 0.37 0.00 0.00 175.52 175.50 2f1d h PHE 176 N 0.47 0.00 -0.07 3.16 -1.00 -1.24 -0.40 116.94 117.86 2f1d h PHE 176 Ca 0.12 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.71 2f1d h PHE 176 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 2f1d h PHE 176 CO 0.02 0.46 -0.75 0.87 -1.61 0.00 0.00 178.31 177.31 2f1d h LYS 177 N 0.00 0.38 0.09 1.51 1.57 -1.12 -1.64 116.57 117.37 2f1d h LYS 177 Ca -0.00 -0.32 -0.27 0.00 -1.87 0.00 0.00 60.65 58.18 2f1d h LYS 177 Cb 1.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2f1d h LYS 177 CO 0.06 0.97 -1.29 0.00 -0.57 0.00 0.00 179.45 178.61 2f1d h ALA 178 N 0.94 0.24 -0.22 3.86 0.00 -1.18 -2.89 119.26 120.01 2f1d h ALA 178 Ca -0.03 -0.99 -0.06 0.00 0.00 0.00 0.00 54.91 53.83 2f1d h ALA 178 Cb 1.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2f1d h ALA 178 CO 0.13 1.12 -0.11 0.35 0.00 0.00 0.00 179.25 180.73 2f1d h PHE 179 N 0.05 0.37 -0.04 0.00 3.57 -1.03 -2.39 116.94 117.47 2f1d h PHE 179 Ca -0.14 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 2f1d h PHE 179 Cb 1.94 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.58 2f1d h PHE 179 CO 0.04 0.47 -0.18 0.00 -2.23 0.00 0.00 178.31 176.41 2f1d h ALA 180 N 1.55 0.08 0.00 2.41 0.00 -1.34 -2.08 119.26 119.87 2f1d h ALA 180 Ca 0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2f1d h ALA 180 Cb 0.41 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2f1d h ALA 180 CO 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 179.25 179.23 2f1d h ARG 181 N -0.37 0.00 0.15 0.00 3.08 -1.42 -1.10 114.38 114.72 2f1d h ARG 181 Ca -0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 2f1d h ARG 181 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2f1d h ARG 181 CO 0.04 0.07 -1.72 0.00 -1.07 0.00 0.00 179.97 177.29 2f1d h ALA 182 N 1.93 0.27 -0.55 0.04 0.00 -1.50 -3.09 119.26 116.35 2f1d h ALA 182 Ca -0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 2f1d h ALA 182 Cb 0.62 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2f1d h ALA 182 CO 0.01 1.14 0.31 1.25 0.00 0.00 0.00 179.25 181.96 2f1d h LEU 183 N 0.08 0.68 -0.44 0.00 6.46 -1.09 -1.45 115.31 119.55 2f1d h LEU 183 Ca -0.32 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.38 2f1d h LEU 183 Cb 2.06 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.79 2f1d h LEU 183 CO 0.15 0.56 0.26 -0.09 -0.62 0.00 0.00 178.44 178.71 2f1d h ARG 184 N 0.74 0.51 -0.72 1.25 2.43 -1.34 -1.28 114.38 115.98 2f1d h ARG 184 Ca 0.20 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2f1d h ARG 184 Cb 0.02 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 2f1d h ARG 184 CO -0.03 0.34 0.48 0.37 -1.51 0.00 0.00 179.97 179.62 2f1d h GLN 185 N 0.53 0.95 -0.05 0.20 4.15 -1.33 -2.12 115.11 117.44 2f1d h GLN 185 Ca 0.18 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 2f1d h GLN 185 Cb 0.01 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.49 2f1d h GLN 185 CO -0.08 0.63 -0.28 0.00 -1.93 0.00 0.00 178.83 177.17 2f1d h ALA 186 N 1.55 0.10 0.00 3.38 0.00 -0.74 -3.26 119.26 120.29 2f1d h ALA 186 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2f1d h ALA 186 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2f1d h ALA 186 CO -0.06 0.14 0.00 1.79 0.00 0.00 0.00 179.25 181.12 2f1d h THR 187 N -0.26 0.00 -4.10 0.00 1.35 -1.09 -1.52 112.91 107.29 2f1d h THR 187 Ca -0.02 -0.46 -0.51 0.00 -0.55 0.00 0.00 66.41 64.87 2f1d h THR 187 Cb 0.95 1.45 0.08 0.00 -1.73 0.00 0.00 68.15 68.90 2f1d h THR 187 CO 0.06 0.00 0.43 -1.61 -0.25 0.00 0.00 175.52 174.15 2f1d s GLU 188 N -3.69 3.22 0.37 4.72 2.02 -0.81 -4.70 118.70 119.83 2f1d s GLU 188 Ca 0.01 1.63 -0.20 0.00 0.02 0.00 0.00 54.97 56.43 2f1d s GLU 188 Cb 0.09 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.24 2f1d s GLU 188 CO 0.53 -0.96 0.87 0.95 0.02 0.00 0.00 175.26 176.67 2f1d s THR 189 N -1.80 4.45 -0.26 3.63 -4.23 -1.26 -1.02 115.64 115.15 2f1d s THR 189 Ca 0.73 1.39 0.02 0.00 -1.18 0.00 0.00 61.69 62.64 2f1d s THR 189 Cb -0.25 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 69.95 2f1d s THR 189 CO 0.30 -0.17 -0.09 -0.62 -0.54 0.00 0.00 174.62 173.50 2f1d s ASP 190 N -2.07 4.40 -0.86 3.99 2.15 -0.32 -4.82 116.67 119.14 2f1d s ASP 190 Ca 0.56 -1.26 -0.21 0.00 0.43 0.00 0.00 52.55 52.08 2f1d s ASP 190 Cb -0.12 -1.58 -0.22 0.00 -0.30 0.00 0.00 42.92 40.70 2f1d s ASP 190 CO 0.17 -0.18 2.37 -2.65 -0.17 0.00 0.00 175.17 174.71 2f1d n PRO 191 N 4.51 0.33 0.00 4.34 -0.02 -1.26 -4.89 135.00 138.00 2f1d n PRO 191 Ca -0.15 -0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.21 2f1d n PRO 191 Cb 0.43 -2.29 0.56 0.00 -0.02 0.00 0.00 33.50 32.19 2f1d n PRO 191 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02