#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 3.05 -0.04 1.61 0.52 -1.26 -5.05 118.95 117.77 2f1d s ARG 11 Ca 0.00 -1.05 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 2f1d s ARG 11 Cb 0.00 -4.07 -0.01 0.00 0.52 0.00 0.00 34.95 31.39 2f1d s ARG 11 CO 0.00 -1.01 -0.23 0.42 0.02 0.00 0.00 175.30 174.50 2f1d s ILE 12 N 2.04 1.86 -0.14 1.52 1.01 -1.26 -1.02 121.20 125.20 2f1d s ILE 12 Ca 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2f1d s ILE 12 Cb -0.21 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.70 2f1d s ILE 12 CO 0.10 0.52 -0.21 -0.83 0.00 0.00 0.00 174.94 174.53 2f1d s GLY 13 N -0.21 1.38 -0.11 6.18 0.00 0.13 -4.41 107.32 110.28 2f1d s GLY 13 Ca -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.67 2f1d s GLY 13 CO 0.02 -0.07 -0.14 -0.54 0.00 0.00 0.00 173.10 172.37 2f1d s GLU 14 N 0.73 2.12 -0.02 2.90 2.02 -1.26 -0.81 118.70 124.39 2f1d s GLU 14 Ca -0.09 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.41 2f1d s GLU 14 Cb -0.16 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2f1d s GLU 14 CO 0.00 -0.10 -0.08 0.08 0.02 0.00 0.00 175.26 175.18 2f1d s VAL 15 N 1.10 0.72 -0.21 2.63 1.01 -0.67 -4.91 120.40 120.06 2f1d s VAL 15 Ca -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2f1d s VAL 15 Cb -0.14 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.66 2f1d s VAL 15 CO -0.03 0.22 -0.04 -1.59 0.00 0.00 0.00 175.10 173.66 2f1d s LYS 16 N 0.10 1.43 -0.05 2.72 -2.85 -1.26 -1.64 119.74 118.20 2f1d s LYS 16 Ca -0.01 -0.78 0.03 0.00 -1.00 0.00 0.00 55.97 54.21 2f1d s LYS 16 Cb -0.07 -2.37 -0.03 0.00 -2.06 0.00 0.00 37.83 33.30 2f1d s LYS 16 CO 0.00 -0.56 -0.12 0.50 0.10 0.00 0.00 175.35 175.27 2f1d s ARG 17 N 1.53 2.55 -0.27 1.78 3.52 -0.65 -5.03 118.95 122.38 2f1d s ARG 17 Ca -0.03 -0.67 -0.02 0.00 -0.13 0.00 0.00 55.73 54.87 2f1d s ARG 17 Cb -0.18 -2.44 0.09 0.00 -1.56 0.00 0.00 34.95 30.87 2f1d s ARG 17 CO -0.07 0.63 0.09 0.08 -0.81 0.00 0.00 175.30 175.22 2f1d s VAL 18 N -0.79 0.49 0.50 7.11 1.01 -1.26 -1.66 120.40 125.79 2f1d s VAL 18 Ca 0.12 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2f1d s VAL 18 Cb -0.11 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.04 2f1d s VAL 18 CO 0.02 -0.56 0.68 0.42 0.00 0.00 0.00 175.10 175.66 2f1d s THR 19 N 1.83 2.65 0.23 3.92 -4.23 -0.94 -5.00 115.64 114.10 2f1d s THR 19 Ca 0.07 -0.95 -0.06 0.00 -1.18 0.00 0.00 61.69 59.57 2f1d s THR 19 Cb -0.17 -2.70 0.19 0.00 1.34 0.00 0.00 72.50 71.16 2f1d s THR 19 CO -0.24 0.00 1.82 0.07 -0.54 0.00 0.00 174.62 175.73 2f1d h LYS 20 N 0.37 0.78 0.00 3.99 -0.00 -2.03 -3.07 116.57 116.61 2f1d h LYS 20 Ca -0.37 -0.05 -0.22 0.00 -0.00 0.00 0.00 60.65 60.01 2f1d h LYS 20 Cb 1.28 -0.18 -0.03 0.00 -0.00 0.00 0.00 32.23 33.30 2f1d h LYS 20 CO 0.44 0.52 -1.14 0.93 -0.00 0.00 0.00 179.45 180.19 2f1d h GLU 21 N 0.81 0.00 -4.49 0.07 5.08 -1.98 -3.49 114.58 110.58 2f1d h GLU 21 Ca 0.36 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.51 2f1d h GLU 21 Cb 0.24 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.35 2f1d h GLU 21 CO -0.20 0.87 -0.62 0.95 -1.00 0.00 0.00 179.01 179.01 2f1d s THR 22 N -2.69 0.05 -0.16 1.13 -4.23 -1.16 -3.17 115.64 105.40 2f1d s THR 22 Ca -0.00 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2f1d s THR 22 Cb 0.09 -2.27 0.06 0.00 1.34 0.00 0.00 72.50 71.72 2f1d s THR 22 CO 0.82 -0.22 0.09 0.21 -0.54 0.00 0.00 174.62 174.98 2f1d s ASN 23 N -3.10 2.28 -0.09 3.99 3.84 -1.04 -2.21 114.94 118.60 2f1d s ASN 23 Ca 0.31 -0.57 0.02 0.00 0.21 0.00 0.00 52.86 52.83 2f1d s ASN 23 Cb 0.07 -0.24 0.02 0.00 -0.55 0.00 0.00 41.25 40.55 2f1d s ASN 23 CO 0.07 -0.34 -0.13 -0.69 -2.79 0.00 0.00 177.10 173.21 2f1d s VAL 24 N 2.14 1.31 -0.11 -5.21 1.01 -0.67 -1.82 120.40 117.05 2f1d s VAL 24 Ca 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2f1d s VAL 24 Cb -0.16 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2f1d s VAL 24 CO -0.09 0.40 -0.16 -0.55 0.00 0.00 0.00 175.10 174.70 2f1d s SER 25 N 0.95 2.46 -0.05 3.32 0.15 -0.41 -1.63 113.70 118.50 2f1d s SER 25 Ca -0.08 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.10 2f1d s SER 25 Cb -0.15 -1.11 0.02 0.00 -1.71 0.00 0.00 66.02 63.07 2f1d s SER 25 CO -0.00 0.03 0.12 -0.69 1.20 0.00 0.00 173.24 173.90 2f1d s VAL 26 N 0.89 -0.03 -0.19 4.45 1.01 -0.65 -1.42 120.40 124.48 2f1d s VAL 26 Ca -0.08 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 2f1d s VAL 26 Cb -0.15 -0.19 0.07 0.00 0.00 0.00 0.00 36.38 36.11 2f1d s VAL 26 CO -0.00 0.04 0.14 -0.54 0.00 0.00 0.00 175.10 174.74 2f1d s LYS 27 N 0.64 0.11 -0.16 2.72 1.02 -0.49 -1.67 119.74 121.91 2f1d s LYS 27 Ca -0.05 0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.94 2f1d s LYS 27 Cb -0.07 -1.59 -0.01 0.00 -0.52 0.00 0.00 37.83 35.64 2f1d s LYS 27 CO -0.03 -0.68 -0.12 0.42 -0.92 0.00 0.00 175.35 174.03 2f1d s ILE 28 N 2.21 3.03 -0.34 2.17 1.01 0.01 -1.50 121.20 127.78 2f1d s ILE 28 Ca 0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 2f1d s ILE 28 Cb -0.16 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2f1d s ILE 28 CO -0.11 0.50 0.32 0.21 0.00 0.00 0.00 174.94 175.86 2f1d s ASN 29 N 0.73 6.14 0.24 3.58 3.84 -0.74 0.21 114.94 128.94 2f1d s ASN 29 Ca -0.05 -0.29 -0.04 0.00 0.21 0.00 0.00 52.86 52.69 2f1d s ASN 29 Cb -0.15 -2.18 0.28 0.00 -0.55 0.00 0.00 41.25 38.65 2f1d s ASN 29 CO 0.02 -0.30 1.76 -0.07 -2.79 0.00 0.00 177.10 175.72 2f1d h LEU 30 N 8.65 0.88 -5.62 3.21 3.38 -1.38 -1.50 115.31 122.94 2f1d h LEU 30 Ca -0.30 -0.19 -0.78 0.00 0.09 0.00 0.00 57.88 56.70 2f1d h LEU 30 Cb 1.15 -0.23 -0.28 0.00 0.09 0.00 0.00 40.66 41.39 2f1d h LEU 30 CO 0.67 0.88 0.95 0.47 0.09 0.00 0.00 178.44 181.50 2f1d n ASP 31 N -4.24 7.28 -1.97 -0.43 8.00 -1.26 -4.55 116.55 119.38 2f1d n ASP 31 Ca 0.04 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.78 2f1d n ASP 31 Cb 0.27 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 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 -0.29 0.36 0.00 0.44 0.00 -0.98 -4.76 105.19 99.95 2f1d n GLY 32 Ca 0.49 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2f1d n GLY 32 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2f1d n THR 33 N -1.43 0.72 -0.40 2.61 5.66 -1.23 -4.78 114.28 115.43 2f1d n THR 33 Ca 0.00 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.19 2f1d n THR 33 Cb 0.00 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 2f1d n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2f1d n GLY 34 N -0.36 0.78 3.60 1.09 0.00 -1.22 -4.91 105.19 104.18 2f1d n GLY 34 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.83 5.10 -0.30 1.61 1.01 -1.19 -4.40 120.40 120.41 2f1d s VAL 35 Ca 0.00 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 2f1d s VAL 35 Cb 0.00 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2f1d s VAL 35 CO 0.00 0.06 0.08 0.00 0.00 0.00 0.00 175.10 175.24 2f1d s ALA 36 N 2.23 3.05 -0.43 5.51 0.00 -1.26 -1.65 121.76 129.19 2f1d s ALA 36 Ca 0.18 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.70 2f1d s ALA 36 Cb -0.16 -2.15 0.18 0.00 0.00 0.00 0.00 23.12 21.00 2f1d s ALA 36 CO 0.10 -0.97 0.45 -3.47 0.00 0.00 0.00 175.76 171.87 2f1d n ASP 37 N 4.85 -1.14 -4.28 0.00 -0.08 -0.95 -5.05 116.55 109.91 2f1d n ASP 37 Ca -0.14 -2.53 -0.31 0.00 -1.51 0.00 0.00 54.79 50.29 2f1d n ASP 37 Cb 0.47 -0.01 -0.16 0.00 2.34 0.00 0.00 41.12 43.76 2f1d n ASP 37 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2f1d s SER 38 N 0.10 3.08 -0.35 1.67 0.01 -1.26 -2.07 113.70 114.88 2f1d s SER 38 Ca 0.32 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2f1d s SER 38 Cb 0.05 -0.69 0.15 0.00 0.21 0.00 0.00 66.02 65.74 2f1d s SER 38 CO -0.16 0.27 0.35 -0.55 0.41 0.00 0.00 173.24 173.55 2f1d s SER 39 N -0.31 1.41 0.00 2.44 0.15 -0.49 -4.93 113.70 111.97 2f1d s SER 39 Ca 0.01 -1.47 0.22 0.00 0.70 0.00 0.00 55.95 55.41 2f1d s SER 39 Cb -0.13 0.47 -0.17 0.00 -1.71 0.00 0.00 66.02 64.49 2f1d s SER 39 CO 0.02 -0.29 0.87 -1.54 1.20 0.00 0.00 173.24 173.51 2f1d n SER 40 N 4.44 0.75 0.00 5.45 3.41 -1.26 -1.81 113.62 124.59 2f1d n SER 40 Ca 0.09 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2f1d n SER 40 Cb 0.45 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 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 1.44 0.72 2.87 5.00 0.00 -1.26 -4.47 105.19 109.48 2f1d n GLY 41 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.65 2.31 0.35 -0.61 1.01 -1.26 -5.02 121.20 115.33 2f1d s ILE 42 Ca 0.00 -3.31 0.14 0.00 0.00 0.00 0.00 60.65 57.47 2f1d s ILE 42 Cb 0.00 -2.59 0.37 0.00 0.01 0.00 0.00 42.46 40.25 2f1d s ILE 42 CO 0.00 -0.87 1.58 -0.65 0.00 0.00 0.00 174.94 175.00 2f1d h PRO 43 N 6.31 0.02 0.11 2.79 0.11 -2.00 -1.48 132.00 137.87 2f1d h PRO 43 Ca -0.01 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.83 2f1d h PRO 43 Cb 0.87 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2f1d h PRO 43 CO 0.64 0.02 -1.21 0.35 -0.21 0.00 0.00 178.00 177.58 2f1d h PHE 44 N 0.03 0.43 -0.39 0.65 3.57 -1.95 -3.06 116.94 116.22 2f1d h PHE 44 Ca 0.75 -0.32 -0.10 0.00 3.53 0.00 0.00 57.97 61.83 2f1d h PHE 44 Cb 1.85 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.55 2f1d h PHE 44 CO -0.18 1.25 -0.17 1.25 -2.23 0.00 0.00 178.31 178.22 2f1d h LEU 45 N 0.07 0.72 -0.31 0.59 5.85 -1.71 -2.34 115.31 118.18 2f1d h LEU 45 Ca -0.12 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.39 2f1d h LEU 45 Cb 1.95 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 2f1d h LEU 45 CO 0.20 0.90 0.16 0.44 -0.34 0.00 0.00 178.44 179.79 2f1d h ASP 46 N 0.65 0.24 -0.58 1.25 3.32 -1.49 -1.18 116.42 118.63 2f1d h ASP 46 Ca 0.10 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.25 2f1d h ASP 46 Cb 0.65 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2f1d h ASP 46 CO 0.05 0.18 0.39 -0.74 -1.72 0.00 0.00 179.24 177.39 2f1d h HIS 47 N 0.33 0.47 0.06 4.55 2.76 -1.39 0.23 115.15 122.17 2f1d h HIS 47 Ca 0.13 0.01 -0.28 0.00 -2.20 0.00 0.00 60.37 58.03 2f1d h HIS 47 Cb 0.04 -0.15 0.02 0.00 1.55 0.00 0.00 27.41 28.87 2f1d h HIS 47 CO -0.09 0.23 -1.15 0.52 -1.30 0.00 0.00 177.93 176.14 2f1d h MET 48 N 0.45 0.64 0.00 5.26 2.86 -0.95 -2.93 114.93 120.27 2f1d h MET 48 Ca 0.26 -0.78 -0.06 0.00 -2.06 0.00 0.00 59.70 57.06 2f1d h MET 48 Cb 0.44 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2f1d h MET 48 CO -0.07 1.34 -0.31 -0.07 1.06 0.00 0.00 176.91 178.86 2f1d h LEU 49 N 0.32 0.00 -0.80 1.22 3.38 -0.55 -1.62 115.31 117.26 2f1d h LEU 49 Ca -0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2f1d h LEU 49 Cb 1.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2f1d h LEU 49 CO 0.22 0.31 -0.57 0.44 0.09 0.00 0.00 178.44 178.93 2f1d h ASP 50 N 0.00 0.00 -0.05 -0.43 3.32 -0.58 -2.53 116.42 116.15 2f1d h ASP 50 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2f1d h ASP 50 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2f1d h ASP 50 CO 0.04 0.57 -0.58 1.56 -1.72 0.00 0.00 179.24 179.11 2f1d h GLN 51 N 0.00 0.65 -0.94 3.56 1.08 -1.25 -2.24 115.11 115.97 2f1d h GLN 51 Ca -0.01 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 56.78 2f1d h GLN 51 Cb 1.05 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.49 2f1d h GLN 51 CO 0.07 1.05 0.62 1.25 -0.95 0.00 0.00 178.83 180.88 2f1d h LEU 52 N 0.49 1.07 -0.06 1.46 5.85 -0.96 -1.66 115.31 121.50 2f1d h LEU 52 Ca 0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2f1d h LEU 52 Cb 1.15 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2f1d h LEU 52 CO 0.12 0.77 -0.13 0.00 -0.34 0.00 0.00 178.44 178.85 2f1d h ALA 53 N 1.36 0.10 -0.27 1.25 0.00 -1.44 -2.98 119.26 117.28 2f1d h ALA 53 Ca 0.35 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2f1d h ALA 53 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2f1d h ALA 53 CO -0.09 -0.01 -0.10 1.03 0.00 0.00 0.00 179.25 180.09 2f1d h SER 54 N -0.30 0.41 0.01 0.00 0.87 -1.11 -0.38 113.55 113.04 2f1d h SER 54 Ca 0.00 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 2f1d h SER 54 Cb 0.73 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2f1d h SER 54 CO 0.03 0.55 -2.07 1.41 -0.53 0.00 0.00 176.83 176.22 2f1d n HIS 55 N -4.24 0.01 -0.68 2.24 -0.00 -0.65 -4.03 115.22 107.86 2f1d n HIS 55 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.80 2f1d n HIS 55 Cb 0.29 -0.60 0.16 0.00 -0.00 0.00 0.00 29.99 29.85 2f1d n HIS 55 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2f1d n GLY 56 N 1.35 3.82 4.21 -1.41 0.00 -1.12 -4.30 105.19 107.74 2f1d n GLY 56 Ca -0.10 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.53 -0.77 -4.88 0.99 4.77 -0.18 -4.79 117.00 111.62 2f1d n LEU 57 Ca 0.14 -1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 2f1d n LEU 57 Cb 0.63 -1.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 2f1d n LEU 57 CO 0.08 0.16 0.39 -0.36 -1.33 0.00 0.00 177.39 176.32 2f1d s PHE 58 N -3.26 3.46 -0.16 -1.77 0.40 -1.03 -2.32 117.98 113.30 2f1d s PHE 58 Ca 0.60 0.99 -0.10 0.00 -0.60 0.00 0.00 56.93 57.82 2f1d s PHE 58 Cb -0.35 -2.39 -0.05 0.00 0.51 0.00 0.00 43.02 40.75 2f1d s PHE 58 CO 0.91 -0.02 0.16 -0.51 0.70 0.00 0.00 175.22 176.46 2f1d s ASP 59 N -3.03 6.31 -0.14 1.36 1.01 -0.56 -3.18 116.67 118.44 2f1d s ASP 59 Ca 0.50 0.36 -0.01 0.00 0.71 0.00 0.00 52.55 54.11 2f1d s ASP 59 Cb -0.10 -2.10 0.04 0.00 1.01 0.00 0.00 42.92 41.76 2f1d s ASP 59 CO 0.29 0.25 -0.04 -0.69 0.21 0.00 0.00 175.17 175.19 2f1d s VAL 60 N -0.12 0.91 -0.32 -1.27 1.01 -0.66 -1.78 120.40 118.18 2f1d s VAL 60 Ca 0.12 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2f1d s VAL 60 Cb -0.12 -1.08 0.09 0.00 0.00 0.00 0.00 36.38 35.27 2f1d s VAL 60 CO 0.01 0.18 0.01 -2.28 0.00 0.00 0.00 175.10 173.02 2f1d s HIS 61 N 1.73 3.51 -0.01 5.22 5.04 -0.56 -2.24 115.29 127.98 2f1d s HIS 61 Ca 0.02 -2.75 0.05 0.00 -1.54 0.00 0.00 55.06 50.85 2f1d s HIS 61 Cb -0.14 -2.59 -0.03 0.00 0.04 0.00 0.00 32.58 29.86 2f1d s HIS 61 CO -0.07 -0.92 -0.17 0.08 -2.34 0.00 0.00 174.74 171.32 2f1d s VAL 62 N 1.00 2.87 -0.26 0.89 1.01 -0.88 -1.40 120.40 123.63 2f1d s VAL 62 Ca 0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2f1d s VAL 62 Cb -0.19 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.18 2f1d s VAL 62 CO -0.08 0.49 0.40 -0.60 0.00 0.00 0.00 175.10 175.31 2f1d s ARG 63 N -1.00 0.38 0.06 2.72 6.06 -0.50 -1.39 118.95 125.27 2f1d s ARG 63 Ca 0.13 0.50 0.00 0.00 -2.50 0.00 0.00 55.73 53.86 2f1d s ARG 63 Cb -0.11 -0.37 -0.04 0.00 0.06 0.00 0.00 34.95 34.50 2f1d s ARG 63 CO 0.02 -0.71 -0.04 0.00 -2.50 0.00 0.00 175.30 172.07 2f1d s ALA 64 N 2.57 0.56 -0.20 6.12 0.00 -0.75 -1.28 121.76 128.77 2f1d s ALA 64 Ca 0.13 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 2f1d s ALA 64 Cb -0.15 0.20 0.10 0.00 0.00 0.00 0.00 23.12 23.28 2f1d s ALA 64 CO -0.19 -0.27 0.33 0.99 0.00 0.00 0.00 175.76 176.62 2f1d s THR 65 N -3.21 -0.52 0.00 0.00 2.01 -0.76 -4.38 115.64 108.78 2f1d s THR 65 Ca 0.03 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2f1d s THR 65 Cb 0.03 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.86 2f1d s THR 65 CO -0.06 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 2f1d n GLY 66 N 5.36 4.21 0.15 4.40 0.00 -1.26 -2.51 105.19 115.53 2f1d n GLY 66 Ca -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2f1d n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f1d n ASP 67 N -2.48 0.00 -0.45 1.61 8.00 -1.19 -4.55 116.55 117.49 2f1d n ASP 67 Ca 0.00 0.00 0.38 0.00 0.71 0.00 0.00 54.79 55.88 2f1d n ASP 67 Cb 0.00 0.00 0.58 0.00 -0.02 0.00 0.00 41.12 41.68 2f1d n ASP 67 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2f1d n VAL 68 N -0.18 0.00 -0.18 2.53 0.31 -1.25 0.13 118.33 119.69 2f1d n VAL 68 Ca 0.00 1.23 -0.01 0.00 -0.01 0.00 0.00 64.34 65.55 2f1d n VAL 68 Cb 0.00 -2.11 0.23 0.00 -0.91 0.00 0.00 33.84 31.05 2f1d n VAL 68 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 2f1d h HIS 69 N 0.00 0.90 0.19 3.52 2.07 -2.01 -3.32 115.15 116.50 2f1d h HIS 69 Ca 0.67 -0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 58.16 2f1d h HIS 69 Cb 3.03 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 32.73 2f1d h HIS 69 CO 0.00 0.64 -0.09 0.82 -3.07 0.00 0.00 177.93 176.23 2f1d h ILE 70 N 0.92 0.00 -2.94 6.12 2.04 0.70 -3.50 117.51 120.85 2f1d h ILE 70 Ca 0.23 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 2f1d h ILE 70 Cb 0.04 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 2f1d h ILE 70 CO -0.04 0.00 -0.00 -0.67 0.00 0.00 0.00 178.15 177.44 2f1d n ASP 71 N -3.01 -0.96 -0.41 1.72 -0.08 -1.22 -5.04 116.55 107.55 2f1d n ASP 71 Ca -0.03 -2.02 0.10 0.00 -1.51 0.00 0.00 54.79 51.34 2f1d n ASP 71 Cb 0.10 1.70 -0.02 0.00 2.34 0.00 0.00 41.12 45.24 2f1d n ASP 71 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2f1d n ASP 72 N -1.65 1.83 -0.14 1.67 8.00 -1.26 -3.85 116.55 121.14 2f1d n ASP 72 Ca -0.02 -1.41 -0.06 0.00 0.71 0.00 0.00 54.79 54.02 2f1d n ASP 72 Cb 0.33 0.55 0.03 0.00 -0.02 0.00 0.00 41.12 42.01 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 2.01 0.40 -0.24 1.24 2.76 -1.96 -1.72 115.15 117.65 2f1d h HIS 73 Ca 0.00 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 2f1d h HIS 73 Cb 0.69 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 2f1d h HIS 73 CO 0.00 0.20 -0.16 0.45 -1.30 0.00 0.00 177.93 177.12 2f1d h HIS 74 N 0.44 0.63 -0.06 5.26 3.86 -1.96 -2.71 115.15 120.61 2f1d h HIS 74 Ca 0.19 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2f1d h HIS 74 Cb 0.10 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 2f1d h HIS 74 CO -0.10 0.83 -0.05 1.15 0.86 0.00 0.00 177.93 180.62 2f1d h THR 75 N 0.24 1.37 -0.90 2.45 2.02 -1.89 -2.32 112.91 113.88 2f1d h THR 75 Ca 0.05 -1.18 0.25 0.00 0.77 0.00 0.00 66.41 66.30 2f1d h THR 75 Cb 0.69 2.03 -0.15 0.00 -1.74 0.00 0.00 68.15 68.98 2f1d h THR 75 CO 0.04 0.32 0.22 -1.13 0.37 0.00 0.00 175.52 175.35 2f1d h ASN 76 N -0.30 -0.05 0.03 4.18 -0.73 -1.38 -2.41 115.58 114.91 2f1d h ASN 76 Ca 0.01 0.21 -0.10 0.00 1.87 0.00 0.00 56.30 58.29 2f1d h ASN 76 Cb 0.54 0.30 0.01 0.00 0.27 0.00 0.00 38.32 39.44 2f1d h ASN 76 CO 0.01 -0.20 -0.42 -0.08 -0.37 0.00 0.00 177.43 176.37 2f1d h GLU 77 N 0.17 0.24 0.00 6.67 4.81 -1.28 -2.68 114.58 122.51 2f1d h GLU 77 Ca 0.57 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 2f1d h GLU 77 Cb 1.19 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2f1d h GLU 77 CO -0.70 1.04 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.95 2f1d h ASP 78 N -0.42 0.00 -0.17 1.04 3.32 -1.35 0.34 116.42 119.19 2f1d h ASP 78 Ca -0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 2f1d h ASP 78 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2f1d h ASP 78 CO 0.08 0.23 -0.30 0.40 -1.72 0.00 0.00 179.24 177.93 2f1d h ILE 79 N 0.00 1.35 -0.69 0.35 2.04 -1.53 -2.32 117.51 116.71 2f1d h ILE 79 Ca -0.00 -1.54 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 2f1d h ILE 79 Cb 0.99 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.98 2f1d h ILE 79 CO 0.03 0.47 0.25 0.00 0.00 0.00 0.00 178.15 178.89 2f1d h ALA 80 N 0.58 0.90 -0.10 1.87 0.00 -1.08 -0.10 119.26 121.32 2f1d h ALA 80 Ca 0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2f1d h ALA 80 Cb 0.89 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2f1d h ALA 80 CO 0.07 0.55 -0.48 -0.07 0.00 0.00 0.00 179.25 179.32 2f1d h LEU 81 N 1.00 0.27 -0.23 0.00 3.38 -1.03 -2.97 115.31 115.74 2f1d h LEU 81 Ca 0.23 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2f1d h LEU 81 Cb 0.25 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2f1d h LEU 81 CO -0.01 0.71 -0.20 0.00 0.09 0.00 0.00 178.44 179.03 2f1d h ALA 82 N 1.30 0.33 -0.33 1.53 0.00 -0.91 -2.90 119.26 118.27 2f1d h ALA 82 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2f1d h ALA 82 Cb 0.92 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2f1d h ALA 82 CO 0.07 0.26 0.17 0.82 0.00 0.00 0.00 179.25 180.57 2f1d h ILE 83 N 0.23 1.11 -0.05 0.00 2.04 -0.94 -0.97 117.51 118.94 2f1d h ILE 83 Ca 0.04 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 65.38 2f1d h ILE 83 Cb 0.74 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2f1d h ILE 83 CO 0.05 0.13 -0.85 1.23 0.00 0.00 0.00 178.15 178.70 2f1d h GLY 84 N 0.55 0.53 1.30 5.37 0.00 -1.48 -1.54 103.07 107.80 2f1d h GLY 84 Ca 0.12 -0.84 -0.16 0.00 0.00 0.00 0.00 47.33 46.45 2f1d h GLY 84 CO -0.02 0.74 -0.45 -0.84 0.00 0.00 0.00 176.54 175.97 2f1d h THR 85 N 0.30 1.29 -0.26 4.70 2.02 -1.20 -1.96 112.91 117.79 2f1d h THR 85 Ca -0.06 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 2f1d h THR 85 Cb 1.47 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 2f1d h THR 85 CO 0.15 0.53 0.02 0.00 0.37 0.00 0.00 175.52 176.60 2f1d h ALA 86 N 0.88 1.56 -0.09 6.16 0.00 -1.17 -2.47 119.26 124.13 2f1d h ALA 86 Ca 0.04 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2f1d h ALA 86 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2f1d h ALA 86 CO 0.10 0.33 -0.63 1.25 0.00 0.00 0.00 179.25 180.30 2f1d h LEU 87 N 0.38 0.39 0.01 0.00 5.85 -0.84 -2.62 115.31 118.48 2f1d h LEU 87 Ca 0.09 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2f1d h LEU 87 Cb 0.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2f1d h LEU 87 CO 0.00 0.91 -0.01 0.25 -0.34 0.00 0.00 178.44 179.26 2f1d h LEU 88 N 0.25 -0.01 -1.45 2.25 5.85 -1.07 -2.76 115.31 118.37 2f1d h LEU 88 Ca -0.01 -0.61 0.14 0.00 0.84 0.00 0.00 57.88 58.24 2f1d h LEU 88 Cb 1.16 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 2f1d h LEU 88 CO 0.10 0.61 0.53 0.11 -0.34 0.00 0.00 178.44 179.45 2f1d h LYS 89 N -0.64 0.54 -0.02 1.25 1.57 -1.53 -2.78 116.57 114.97 2f1d h LYS 89 Ca -0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 2f1d h LYS 89 Cb 0.62 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2f1d h LYS 89 CO 0.00 0.36 -0.69 0.00 -0.57 0.00 0.00 179.45 178.56 2f1d h ALA 90 N 1.62 0.82 0.00 3.86 0.00 -1.39 -3.13 119.26 121.04 2f1d h ALA 90 Ca 0.39 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2f1d h ALA 90 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2f1d h ALA 90 CO -0.15 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.20 2f1d n LEU 91 N -3.77 0.64 0.00 0.00 4.77 -1.05 -4.61 117.00 112.99 2f1d n LEU 91 Ca -0.02 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2f1d n LEU 91 Cb 0.67 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2f1d n LEU 91 CO 0.44 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2f1d n GLY 92 N 1.04 2.99 0.28 -0.72 0.00 -1.18 -1.68 105.19 105.92 2f1d n GLY 92 Ca 0.05 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 14.00 1.36 -3.15 1.61 -0.00 -1.26 -4.93 120.64 128.28 2f1d n GLU 93 Ca 0.00 -0.55 -0.14 0.00 -0.00 0.00 0.00 57.16 56.46 2f1d n GLU 93 Cb 0.00 -1.21 0.05 0.00 -0.00 0.00 0.00 31.44 30.28 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 -0.12 -4.88 -2.42 3.44 1.74 -0.68 -4.92 116.66 108.82 2f1d n ARG 94 Ca 0.09 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 2f1d n ARG 94 Cb 0.16 -4.62 -0.02 0.00 -1.02 0.00 0.00 32.46 26.96 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 -5.69 3.47 -0.40 5.56 3.01 -1.26 -4.08 119.74 120.35 2f1d s LYS 95 Ca 0.32 0.62 0.00 0.00 -1.01 0.00 0.00 55.97 55.90 2f1d s LYS 95 Cb -0.14 -4.05 0.00 0.00 -1.01 0.00 0.00 37.83 32.63 2f1d s LYS 95 CO 0.46 -1.71 0.00 0.41 0.51 0.00 0.00 175.35 175.02 2f1d n GLY 96 N 5.12 0.57 3.77 -3.33 0.00 -1.26 -4.98 105.19 105.09 2f1d n GLY 96 Ca 0.13 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.79 3.29 0.16 -0.61 -4.36 -1.26 -1.48 121.20 115.16 2f1d s ILE 97 Ca 0.00 0.65 -0.17 0.00 -0.26 0.00 0.00 60.65 60.86 2f1d s ILE 97 Cb 0.00 -3.18 0.07 0.00 1.25 0.00 0.00 42.46 40.61 2f1d s ILE 97 CO 0.00 -0.33 1.68 0.78 0.24 0.00 0.00 174.94 177.31 2f1d h ASN 98 N 0.34 -0.30 0.00 4.36 2.35 -1.31 -3.42 115.58 117.60 2f1d h ASN 98 Ca -0.47 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2f1d h ASN 98 Cb 1.25 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.83 2f1d h ASN 98 CO 0.55 -0.10 0.00 -1.14 -1.65 0.00 0.00 177.43 175.09 2f1d n ARG 99 N -5.27 0.00 -4.06 0.81 0.63 -0.80 -4.97 116.66 103.01 2f1d n ARG 99 Ca 0.02 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.69 2f1d n ARG 99 Cb 0.20 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.06 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 -1.07 3.21 -0.24 -0.14 0.40 -1.26 -1.04 117.98 117.84 2f1d s PHE 100 Ca 0.00 0.01 -0.21 0.00 -0.60 0.00 0.00 56.93 56.13 2f1d s PHE 100 Cb 0.00 -1.54 0.06 0.00 0.51 0.00 0.00 43.02 42.05 2f1d s PHE 100 CO 0.00 0.52 0.63 0.20 0.70 0.00 0.00 175.22 177.27 2f1d s GLY 101 N -3.13 -0.48 -0.22 4.36 0.00 -0.91 -3.59 107.32 103.34 2f1d s GLY 101 Ca 0.32 1.82 -0.03 0.00 0.00 0.00 0.00 44.72 46.82 2f1d s GLY 101 CO 0.24 1.60 0.31 -0.35 0.00 0.00 0.00 173.10 174.91 2f1d s ASP 102 N 0.46 0.70 -0.01 1.64 2.15 -1.26 -1.14 116.67 119.21 2f1d s ASP 102 Ca -0.01 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2f1d s ASP 102 Cb -0.05 0.81 0.01 0.00 -0.30 0.00 0.00 42.92 43.39 2f1d s ASP 102 CO -0.01 -0.31 -0.01 0.12 -0.17 0.00 0.00 175.17 174.79 2f1d s PHE 103 N 2.45 0.14 -0.31 -5.34 5.36 -0.41 -4.94 117.98 114.92 2f1d s PHE 103 Ca 0.10 -0.00 -0.07 0.00 -0.96 0.00 0.00 56.93 56.00 2f1d s PHE 103 Cb -0.15 -0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.41 2f1d s PHE 103 CO -0.14 -0.03 0.09 0.99 -1.46 0.00 0.00 175.22 174.68 2f1d s THR 104 N 0.22 3.93 -0.07 0.12 2.01 -1.26 -2.10 115.64 118.49 2f1d s THR 104 Ca -0.02 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2f1d s THR 104 Cb -0.04 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2f1d s THR 104 CO -0.01 -0.02 -0.14 0.00 -0.69 0.00 0.00 174.62 173.76 2f1d s ALA 105 N 1.47 2.65 0.19 7.40 0.00 -0.72 -4.95 121.76 127.79 2f1d s ALA 105 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.06 2f1d s ALA 105 Cb -0.18 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2f1d s ALA 105 CO 0.03 0.48 0.20 -1.25 0.00 0.00 0.00 175.76 175.22 2f1d s PRO 106 N -0.47 3.07 -0.36 0.00 0.04 -1.26 -1.39 135.00 134.63 2f1d s PRO 106 Ca 0.06 -0.85 0.01 0.00 0.04 0.00 0.00 61.00 60.26 2f1d s PRO 106 Cb -0.12 -2.72 0.11 0.00 0.04 0.00 0.00 34.50 31.82 2f1d s PRO 106 CO 0.02 0.47 0.14 -1.17 0.04 0.00 0.00 177.00 176.50 2f1d s LEU 107 N -3.39 2.61 0.00 -3.56 2.96 -0.88 -4.96 118.68 111.46 2f1d s LEU 107 Ca 0.32 -2.05 0.00 0.00 -0.22 0.00 0.00 54.13 52.19 2f1d s LEU 107 Cb -0.10 -0.99 0.00 0.00 0.50 0.00 0.00 46.19 45.61 2f1d s LEU 107 CO 0.25 -0.36 0.00 0.47 -1.32 0.00 0.00 176.35 175.40 2f1d n ASP 108 N 4.32 0.00 0.20 3.68 8.00 -1.26 -1.90 116.55 129.58 2f1d n ASP 108 Ca 0.03 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.65 2f1d n ASP 108 Cb 0.39 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.76 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 -7.08 -1.24 9.09 -1.97 -3.45 114.58 109.93 2f1d h GLU 109 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 59.36 58.95 2f1d h GLU 109 Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.11 2f1d h GLU 109 CO 0.00 0.00 0.37 0.00 0.05 0.00 0.00 179.01 179.43 2f1d s ALA 110 N -3.24 2.93 -0.27 1.06 0.00 -0.80 -3.17 121.76 118.26 2f1d s ALA 110 Ca 0.07 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 2f1d s ALA 110 Cb 0.07 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 20.14 2f1d s ALA 110 CO 0.64 -0.20 0.51 -1.17 0.00 0.00 0.00 175.76 175.54 2f1d s LEU 111 N -3.49 -1.06 -0.02 0.00 2.96 -1.05 -2.07 118.68 113.95 2f1d s LEU 111 Ca 0.65 0.70 0.08 0.00 -0.22 0.00 0.00 54.13 55.34 2f1d s LEU 111 Cb -0.14 1.76 -0.02 0.00 0.50 0.00 0.00 46.19 48.29 2f1d s LEU 111 CO 0.19 -0.27 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.07 2f1d s ILE 112 N 2.74 2.14 -0.17 6.68 -1.09 -0.48 -1.81 121.20 129.21 2f1d s ILE 112 Ca 0.15 -1.08 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 2f1d s ILE 112 Cb -0.15 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 39.00 2f1d s ILE 112 CO -0.19 0.57 -0.20 -2.28 -1.23 0.00 0.00 174.94 171.62 2f1d s HIS 113 N -0.63 2.75 -0.19 3.97 5.65 0.32 -1.76 115.29 125.41 2f1d s HIS 113 Ca 0.10 -1.49 0.01 0.00 0.25 0.00 0.00 55.06 53.93 2f1d s HIS 113 Cb -0.10 -1.89 0.03 0.00 -1.18 0.00 0.00 32.58 29.43 2f1d s HIS 113 CO -0.01 -0.72 -0.18 0.08 -0.65 0.00 0.00 174.74 173.27 2f1d s VAL 114 N 1.12 2.00 -0.03 0.89 1.01 -0.89 -0.46 120.40 124.04 2f1d s VAL 114 Ca 0.01 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.05 2f1d s VAL 114 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2f1d s VAL 114 CO -0.08 0.45 -0.16 -0.55 0.00 0.00 0.00 175.10 174.76 2f1d s SER 115 N 1.30 3.92 0.32 3.32 0.15 -0.97 -1.29 113.70 120.44 2f1d s SER 115 Ca 0.03 -0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 2f1d s SER 115 Cb -0.14 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2f1d s SER 115 CO -0.12 0.32 0.46 -1.48 1.20 0.00 0.00 173.24 173.63 2f1d s LEU 116 N -0.89 0.89 -0.30 3.45 0.05 -0.29 -1.55 118.68 120.04 2f1d s LEU 116 Ca 0.12 -1.39 -0.11 0.00 0.05 0.00 0.00 54.13 52.81 2f1d s LEU 116 Cb -0.11 1.48 0.15 0.00 -2.05 0.00 0.00 46.19 45.66 2f1d s LEU 116 CO 0.02 -1.25 0.78 -0.62 -0.55 0.00 0.00 176.35 174.73 2f1d s ASP 117 N -3.20 -0.94 -1.22 1.48 2.15 -0.79 -2.15 116.67 112.01 2f1d s ASP 117 Ca 0.29 1.13 -0.19 0.00 0.43 0.00 0.00 52.55 54.22 2f1d s ASP 117 Cb -0.00 2.01 0.07 0.00 -0.30 0.00 0.00 42.92 44.70 2f1d s ASP 117 CO 0.18 -0.18 1.64 -0.76 -0.17 0.00 0.00 175.17 175.88 2f1d s LEU 118 N 2.75 3.82 -0.16 -1.34 1.43 -0.21 -2.21 118.68 122.76 2f1d s LEU 118 Ca -0.01 -2.20 -0.06 0.00 -1.03 0.00 0.00 54.13 50.83 2f1d s LEU 118 Cb -0.10 -2.57 -0.23 0.00 0.03 0.00 0.00 46.19 43.32 2f1d s LEU 118 CO -0.18 -1.24 0.21 -1.54 0.23 0.00 0.00 176.35 173.83 2f1d n SER 119 N 8.39 2.08 0.00 2.29 3.41 -1.20 -4.99 113.62 123.59 2f1d n SER 119 Ca 0.44 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2f1d n SER 119 Cb 0.47 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.99 1.69 3.16 5.00 0.00 0.22 -5.06 105.19 112.20 2f1d n GLY 120 Ca -0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.62 2.59 0.14 1.61 0.52 -1.23 -4.76 118.95 117.19 2f1d s ARG 121 Ca 0.00 -1.14 -0.30 0.00 -0.52 0.00 0.00 55.73 53.77 2f1d s ARG 121 Cb 0.00 -3.01 -0.07 0.00 0.52 0.00 0.00 34.95 32.39 2f1d s ARG 121 CO 0.00 -0.50 1.20 -1.25 0.02 0.00 0.00 175.30 174.77 2f1d s PRO 122 N 1.25 4.47 -0.23 3.54 0.04 -1.26 -3.59 135.00 139.22 2f1d s PRO 122 Ca -0.03 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 2f1d s PRO 122 Cb -0.18 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 31.15 2f1d s PRO 122 CO -0.04 -0.15 0.56 -0.47 0.04 0.00 0.00 177.00 176.94 2f1d s TYR 123 N 0.39 -0.87 -0.34 0.56 5.04 -1.20 -4.93 117.35 116.00 2f1d s TYR 123 Ca 0.55 1.76 -0.01 0.00 -2.44 0.00 0.00 57.07 56.93 2f1d s TYR 123 Cb -0.31 0.47 0.08 0.00 0.35 0.00 0.00 41.96 42.55 2f1d s TYR 123 CO 0.33 -0.45 0.08 -1.17 -1.34 0.00 0.00 175.55 173.00 2f1d s LEU 124 N 1.61 4.52 -0.37 6.97 2.96 -1.26 -0.59 118.68 132.52 2f1d s LEU 124 Ca -0.09 -1.70 -0.26 0.00 -0.22 0.00 0.00 54.13 51.85 2f1d s LEU 124 Cb -0.07 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.90 2f1d s LEU 124 CO -0.17 -0.38 0.96 -0.83 -1.32 0.00 0.00 176.35 174.62 2f1d s GLY 125 N 1.40 1.55 -0.23 7.98 0.00 -0.49 -5.02 107.32 112.51 2f1d s GLY 125 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.36 2f1d s GLY 125 CO -0.04 2.08 -0.10 -0.47 0.00 0.00 0.00 173.10 174.58 2f1d s TYR 126 N 3.58 2.73 -0.53 1.90 5.04 -1.26 -1.12 117.35 127.70 2f1d s TYR 126 Ca 0.40 -1.90 0.04 0.00 -2.44 0.00 0.00 57.07 53.17 2f1d s TYR 126 Cb -0.12 -1.74 0.16 0.00 0.35 0.00 0.00 41.96 40.61 2f1d s TYR 126 CO 0.19 -0.80 0.37 -0.80 -1.34 0.00 0.00 175.55 173.17 2f1d s ASN 127 N 1.29 3.25 -0.36 4.32 -0.87 -1.06 -5.04 114.94 116.47 2f1d s ASN 127 Ca -0.05 -3.23 0.04 0.00 -1.57 0.00 0.00 52.86 48.04 2f1d s ASN 127 Cb -0.18 -1.03 0.16 0.00 -0.02 0.00 0.00 41.25 40.18 2f1d s ASN 127 CO -0.07 -0.16 0.42 -0.22 -2.57 0.00 0.00 177.10 174.49 2f1d s LEU 128 N -0.41 -0.40 -0.42 0.60 2.96 -1.26 -2.38 118.68 117.37 2f1d s LEU 128 Ca 0.26 -1.24 -0.22 0.00 -0.22 0.00 0.00 54.13 52.70 2f1d s LEU 128 Cb -0.07 0.85 0.02 0.00 0.50 0.00 0.00 46.19 47.50 2f1d s LEU 128 CO -0.13 -0.27 0.74 -1.83 -1.32 0.00 0.00 176.35 173.54 2f1d s GLU 129 N 1.70 3.47 -0.35 1.98 -1.05 -1.26 -5.03 118.70 118.17 2f1d s GLU 129 Ca 0.15 -0.07 -0.11 0.00 -0.15 0.00 0.00 54.97 54.79 2f1d s GLU 129 Cb -0.13 -3.90 0.01 0.00 -0.44 0.00 0.00 34.13 29.66 2f1d s GLU 129 CO -0.09 -1.01 0.21 0.42 0.95 0.00 0.00 175.26 175.74 2f1d s ILE 130 N 3.10 4.82 -0.73 1.83 1.01 -1.26 -5.01 121.20 124.96 2f1d s ILE 130 Ca 0.28 -0.57 0.20 0.00 0.00 0.00 0.00 60.65 60.56 2f1d s ILE 130 Cb -0.13 -3.58 0.20 0.00 0.01 0.00 0.00 42.46 38.96 2f1d s ILE 130 CO 0.20 -0.11 1.62 -0.81 0.00 0.00 0.00 174.94 175.84 2f1d n PRO 131 N 5.04 0.11 -4.45 2.79 -0.04 -1.26 -4.71 135.00 132.47 2f1d n PRO 131 Ca -0.12 0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 2f1d n PRO 131 Cb 0.48 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.16 2.43 -1.39 0.52 -4.23 -1.26 -5.04 115.64 103.51 2f1d s THR 132 Ca 0.06 -1.61 0.28 0.00 -1.18 0.00 0.00 61.69 59.24 2f1d s THR 132 Cb 0.10 -2.07 0.33 0.00 1.34 0.00 0.00 72.50 72.20 2f1d s THR 132 CO 0.35 0.14 1.80 0.00 -0.54 0.00 0.00 174.62 176.38 2f1d n GLN 133 N 1.03 0.42 -3.64 3.99 6.02 -1.26 -4.74 117.38 119.20 2f1d n GLN 133 Ca -0.17 -0.14 -0.06 0.00 -0.01 0.00 0.00 57.00 56.62 2f1d n GLN 133 Cb 0.53 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 2f1d n GLN 133 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2f1d s ARG 134 N -2.68 0.67 -0.29 -1.09 0.52 -1.26 -2.55 118.95 112.28 2f1d s ARG 134 Ca 0.23 1.27 -0.05 0.00 -0.52 0.00 0.00 55.73 56.66 2f1d s ARG 134 Cb 0.19 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.98 2f1d s ARG 134 CO 0.52 -0.16 0.03 0.14 0.02 0.00 0.00 175.30 175.86 2f1d s VAL 135 N 1.90 3.51 0.00 3.52 -7.23 -1.06 -4.91 120.40 116.14 2f1d s VAL 135 Ca -0.09 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2f1d s VAL 135 Cb -0.07 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 34.02 2f1d s VAL 135 CO -0.20 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2f1d n GLY 136 N 4.77 3.77 0.88 2.32 0.00 -1.26 -2.04 105.19 113.63 2f1d n GLY 136 Ca -0.15 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.39 -2.71 2.61 -2.24 -1.26 -4.97 114.28 106.10 2f1d n THR 137 Ca 0.00 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 2f1d n THR 137 Cb 0.00 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.34 2.78 0.02 4.78 5.04 -0.87 -4.99 117.35 122.77 2f1d s TYR 138 Ca 0.29 0.36 -0.37 0.00 -2.44 0.00 0.00 57.07 54.90 2f1d s TYR 138 Cb 0.17 -4.24 -0.17 0.00 0.35 0.00 0.00 41.96 38.08 2f1d s TYR 138 CO 0.25 -1.33 1.40 -3.47 -1.34 0.00 0.00 175.55 171.05 2f1d n ASP 139 N 7.73 1.72 0.00 4.32 -0.08 -1.26 -2.57 116.55 126.42 2f1d n ASP 139 Ca 0.07 1.11 0.13 0.00 -1.51 0.00 0.00 54.79 54.59 2f1d n ASP 139 Cb 0.48 -1.17 0.36 0.00 2.34 0.00 0.00 41.12 43.13 2f1d n ASP 139 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2f1d n THR 140 N 2.84 0.01 0.53 5.18 -1.04 -1.06 -2.85 114.28 117.89 2f1d n THR 140 Ca 0.20 -0.01 0.11 0.00 -2.04 0.00 0.00 64.05 62.31 2f1d n THR 140 Cb 0.18 0.01 0.45 0.00 -1.82 0.00 0.00 70.33 69.14 2f1d n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f1d n GLN 141 N -1.52 0.15 0.18 -2.82 6.02 -1.26 -3.75 117.38 114.37 2f1d n GLN 141 Ca 0.06 0.30 0.06 0.00 -0.01 0.00 0.00 57.00 57.41 2f1d n GLN 141 Cb 0.34 -1.74 0.19 0.00 1.02 0.00 0.00 30.24 30.06 2f1d n GLN 141 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2f1d h LEU 142 N 0.00 0.00 -0.48 1.08 4.07 -1.91 -3.19 115.31 114.88 2f1d h LEU 142 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 2f1d h LEU 142 Cb 0.43 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 2f1d h LEU 142 CO 0.00 0.34 0.31 0.58 -1.08 0.00 0.00 178.44 178.58 2f1d h VAL 143 N 0.00 1.09 -0.35 1.22 2.07 -1.79 0.73 116.25 119.22 2f1d h VAL 143 Ca -0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2f1d h VAL 143 Cb 1.11 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2f1d h VAL 143 CO 0.04 0.11 0.22 -0.08 0.02 0.00 0.00 177.57 177.88 2f1d h GLU 144 N 0.62 0.47 -0.61 1.57 4.81 -1.80 -2.67 114.58 116.97 2f1d h GLU 144 Ca 0.18 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2f1d h GLU 144 Cb -0.04 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2f1d h GLU 144 CO -0.06 0.35 0.30 1.25 -0.73 0.00 0.00 179.01 180.12 2f1d h HIS 145 N 0.46 0.88 -0.00 0.92 2.76 -1.29 -1.22 115.15 117.65 2f1d h HIS 145 Ca 0.13 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2f1d h HIS 145 Cb -0.00 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.65 2f1d h HIS 145 CO -0.04 0.66 -0.32 0.35 -1.30 0.00 0.00 177.93 177.27 2f1d h PHE 146 N 0.84 -0.95 -0.23 5.26 3.57 0.59 -1.25 116.94 124.77 2f1d h PHE 146 Ca 0.21 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2f1d h PHE 146 Cb 0.10 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2f1d h PHE 146 CO -0.00 -0.35 0.15 0.74 -2.23 0.00 0.00 178.31 176.63 2f1d h PHE 147 N -0.40 0.22 0.07 0.41 -1.00 -1.35 -1.34 116.94 113.54 2f1d h PHE 147 Ca 0.01 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 2f1d h PHE 147 Cb 0.43 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2f1d h PHE 147 CO -0.46 0.13 -0.03 0.37 -1.61 0.00 0.00 178.31 176.71 2f1d h GLN 148 N 0.23 -0.09 -0.59 1.51 5.75 -0.87 -2.06 115.11 119.00 2f1d h GLN 148 Ca 0.09 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2f1d h GLN 148 Cb 0.08 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2f1d h GLN 148 CO -0.02 0.20 0.18 0.77 -2.65 0.00 0.00 178.83 177.31 2f1d h SER 149 N -0.38 0.86 -0.18 -0.69 0.02 -0.58 -1.51 113.55 111.09 2f1d h SER 149 Ca -0.01 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 2f1d h SER 149 Cb 0.33 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2f1d h SER 149 CO 0.02 0.84 0.07 0.25 -1.14 0.00 0.00 176.83 176.87 2f1d h LEU 150 N 0.83 0.31 -0.14 5.07 6.46 -1.28 -2.61 115.31 123.95 2f1d h LEU 150 Ca 0.19 -0.03 -0.23 0.00 -0.12 0.00 0.00 57.88 57.69 2f1d h LEU 150 Cb 0.30 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2f1d h LEU 150 CO -0.00 0.31 -0.98 0.58 -0.62 0.00 0.00 178.44 177.73 2f1d h VAL 151 N 0.34 1.46 -0.03 1.05 2.07 -0.92 -2.73 116.25 117.51 2f1d h VAL 151 Ca 0.09 -2.66 -0.11 0.00 0.82 0.00 0.00 66.70 64.83 2f1d h VAL 151 Cb 0.12 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2f1d h VAL 151 CO -0.01 0.78 -0.49 0.78 0.02 0.00 0.00 177.57 178.65 2f1d h ASN 152 N 0.15 0.07 0.13 0.57 2.35 -0.89 -1.89 115.58 116.07 2f1d h ASN 152 Ca -0.08 -0.03 -0.35 0.00 -0.55 0.00 0.00 56.30 55.29 2f1d h ASN 152 Cb 1.64 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.92 2f1d h ASN 152 CO 0.16 0.56 -2.21 0.35 -1.65 0.00 0.00 177.43 174.63 2f1d n THR 153 N -3.95 1.46 0.08 2.81 -2.24 -1.20 -4.33 114.28 106.92 2f1d n THR 153 Ca -0.02 -0.83 -0.01 0.00 -2.27 0.00 0.00 64.05 60.93 2f1d n THR 153 Cb 0.52 -0.68 0.26 0.00 -2.10 0.00 0.00 70.33 68.33 2f1d n THR 153 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2f1d h SER 154 N 0.00 0.29 -3.67 3.42 0.87 -1.46 -3.41 113.55 109.59 2f1d h SER 154 Ca -0.48 -0.10 -0.18 0.00 -1.23 0.00 0.00 61.79 59.80 2f1d h SER 154 Cb 2.17 -0.08 0.08 0.00 -0.44 0.00 0.00 62.40 64.13 2f1d h SER 154 CO 0.04 0.59 -0.37 0.61 -0.53 0.00 0.00 176.83 177.17 2f1d n GLY 155 N -0.41 0.10 3.29 5.77 0.00 -0.72 -4.77 105.19 108.45 2f1d n GLY 155 Ca -0.01 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.05 3.31 -0.11 1.61 -2.45 -1.16 -0.61 119.30 114.84 2f1d s MET 156 Ca 0.11 -0.67 -0.30 0.00 -1.25 0.00 0.00 55.69 53.58 2f1d s MET 156 Cb -0.05 -2.86 -0.01 0.00 1.25 0.00 0.00 34.83 33.16 2f1d s MET 156 CO 0.36 -0.12 1.04 0.99 1.05 0.00 0.00 175.02 178.34 2f1d s THR 157 N 1.22 4.70 -0.14 10.11 2.01 -0.94 -3.23 115.64 129.37 2f1d s THR 157 Ca 0.02 1.97 -0.04 0.00 0.31 0.00 0.00 61.69 63.96 2f1d s THR 157 Cb -0.14 -4.27 0.07 0.00 0.01 0.00 0.00 72.50 68.16 2f1d s THR 157 CO -0.03 -0.01 0.18 -0.22 -0.69 0.00 0.00 174.62 173.84 2f1d s LEU 158 N 2.12 -0.03 -0.11 4.42 2.96 0.24 -1.88 118.68 126.39 2f1d s LEU 158 Ca 0.49 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.34 2f1d s LEU 158 Cb -0.19 0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 2f1d s LEU 158 CO 0.18 -0.29 0.03 -1.00 -1.32 0.00 0.00 176.35 173.95 2f1d s HIS 159 N 2.28 3.25 -0.06 5.38 3.76 -0.60 -1.40 115.29 127.90 2f1d s HIS 159 Ca 0.04 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.18 2f1d s HIS 159 Cb -0.14 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.69 2f1d s HIS 159 CO -0.09 0.43 -0.12 0.42 -0.85 0.00 0.00 174.74 174.53 2f1d s ILE 160 N -0.62 1.12 -0.02 0.60 1.01 -0.27 -2.30 121.20 120.72 2f1d s ILE 160 Ca 0.11 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.30 2f1d s ILE 160 Cb -0.12 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2f1d s ILE 160 CO 0.02 0.35 -0.07 -0.13 0.00 0.00 0.00 174.94 175.11 2f1d s ARG 161 N 0.60 0.74 -0.28 2.79 0.52 0.39 -2.56 118.95 121.15 2f1d s ARG 161 Ca -0.13 -0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.75 2f1d s ARG 161 Cb -0.15 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.56 2f1d s ARG 161 CO 0.03 0.08 0.17 -1.14 0.02 0.00 0.00 175.30 174.47 2f1d s GLN 162 N 0.21 3.89 -0.17 3.54 0.74 -1.00 -0.52 119.66 126.35 2f1d s GLN 162 Ca -0.03 -0.35 0.18 0.00 0.05 0.00 0.00 55.36 55.21 2f1d s GLN 162 Cb -0.07 -3.61 -0.26 0.00 1.10 0.00 0.00 33.01 30.17 2f1d s GLN 162 CO 0.00 -0.19 0.15 1.28 -0.55 0.00 0.00 175.29 175.98 2f1d n LEU 163 N 5.04 0.04 -3.59 3.68 4.77 -0.75 -5.01 117.00 121.18 2f1d n LEU 163 Ca -0.14 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.75 2f1d n LEU 163 Cb 0.52 0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 2f1d n LEU 163 CO 0.33 0.43 0.38 0.00 -1.33 0.00 0.00 177.39 177.20 2f1d s ALA 164 N -2.62 -1.35 0.00 -1.18 0.00 -1.14 -4.95 121.76 110.52 2f1d s ALA 164 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2f1d s ALA 164 Cb 0.07 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2f1d s ALA 164 CO 0.84 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2f1d n GLY 165 N -0.38 4.21 0.43 0.00 0.00 -1.19 -2.52 105.19 105.74 2f1d n GLY 165 Ca -0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.38 0.36 -2.34 1.61 1.02 -1.26 -4.97 120.64 114.68 2f1d n GLU 166 Ca 0.00 0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 2f1d n GLU 166 Cb 0.00 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 -6.22 6.97 0.24 1.62 3.84 -1.26 -4.66 114.94 115.46 2f1d s ASN 167 Ca -0.21 2.02 0.04 0.00 0.21 0.00 0.00 52.86 54.92 2f1d s ASN 167 Cb 0.05 -2.57 0.26 0.00 -0.55 0.00 0.00 41.25 38.45 2f1d s ASN 167 CO 0.29 -0.60 1.57 0.28 -2.79 0.00 0.00 177.10 175.85 2f1d h SER 168 N 7.34 0.29 0.13 -4.21 0.02 -1.97 -1.95 113.55 113.19 2f1d h SER 168 Ca -0.38 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 2f1d h SER 168 Cb 1.19 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2f1d h SER 168 CO 0.87 0.80 -0.06 -0.74 -1.14 0.00 0.00 176.83 176.56 2f1d h HIS 169 N 0.19 -0.16 -0.82 3.45 -0.00 -1.99 -2.84 115.15 112.99 2f1d h HIS 169 Ca -0.00 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.43 2f1d h HIS 169 Cb 1.08 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.48 2f1d h HIS 169 CO 0.02 -0.01 0.54 0.45 -0.00 0.00 0.00 177.93 178.92 2f1d h HIS 170 N -0.26 0.90 -0.15 5.26 3.86 -1.89 -2.18 115.15 120.69 2f1d h HIS 170 Ca -0.02 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 2f1d h HIS 170 Cb 0.21 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 2f1d h HIS 170 CO -0.04 0.46 -0.21 0.82 0.86 0.00 0.00 177.93 179.83 2f1d h ILE 171 N 0.88 1.36 -0.09 2.45 2.04 -1.23 0.96 117.51 123.88 2f1d h ILE 171 Ca 0.36 -1.42 -0.18 0.00 1.00 0.00 0.00 64.86 64.62 2f1d h ILE 171 Cb 0.27 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2f1d h ILE 171 CO -0.13 0.42 -0.70 0.40 0.00 0.00 0.00 178.15 178.14 2f1d h ILE 172 N 0.02 1.37 -0.32 -0.67 2.04 -1.50 -2.26 117.51 116.20 2f1d h ILE 172 Ca 0.02 -2.09 -0.08 0.00 1.00 0.00 0.00 64.86 63.70 2f1d h ILE 172 Cb 0.77 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2f1d h ILE 172 CO 0.05 0.63 -0.13 -0.08 0.00 0.00 0.00 178.15 178.62 2f1d h GLU 173 N 0.28 0.65 -0.03 2.37 4.81 -1.25 -2.15 114.58 119.26 2f1d h GLU 173 Ca -0.02 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2f1d h GLU 173 Cb 1.26 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2f1d h GLU 173 CO 0.12 0.86 -0.36 0.00 -0.73 0.00 0.00 179.01 178.90 2f1d h ALA 174 N 0.78 1.35 -0.19 2.92 0.00 -0.81 -1.29 119.26 122.02 2f1d h ALA 174 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2f1d h ALA 174 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2f1d h ALA 174 CO 0.04 0.48 0.01 1.15 0.00 0.00 0.00 179.25 180.93 2f1d h THR 175 N 0.05 1.25 0.00 0.00 2.02 -1.24 -1.32 112.91 113.67 2f1d h THR 175 Ca 0.00 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 2f1d h THR 175 Cb 0.66 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2f1d h THR 175 CO 0.05 0.25 -0.38 -0.26 0.37 0.00 0.00 175.52 175.55 2f1d h PHE 176 N 0.09 0.00 -0.37 3.16 -1.00 -1.13 0.14 116.94 117.83 2f1d h PHE 176 Ca 0.05 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.69 2f1d h PHE 176 Cb 0.37 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 2f1d h PHE 176 CO 0.03 0.38 -0.35 0.87 -1.61 0.00 0.00 178.31 177.64 2f1d h LYS 177 N 0.00 0.85 0.00 1.51 1.57 -1.13 -2.09 116.57 117.28 2f1d h LYS 177 Ca -0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2f1d h LYS 177 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2f1d h LYS 177 CO 0.05 1.06 -0.58 0.00 -0.57 0.00 0.00 179.45 179.41 2f1d h ALA 178 N 0.89 0.67 0.18 3.86 0.00 -0.46 -3.03 119.26 121.38 2f1d h ALA 178 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 2f1d h ALA 178 Cb 0.91 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.72 2f1d h ALA 178 CO 0.08 0.00 -1.37 0.35 0.00 0.00 0.00 179.25 178.31 2f1d h PHE 179 N 0.00 0.68 -0.11 0.00 3.57 -0.72 -3.16 116.94 117.20 2f1d h PHE 179 Ca 0.00 -0.50 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 2f1d h PHE 179 Cb 0.88 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2f1d h PHE 179 CO 0.00 1.41 -0.02 0.00 -2.23 0.00 0.00 178.31 177.47 2f1d h ALA 180 N 0.40 0.15 -0.17 2.41 0.00 -1.41 -1.03 119.26 119.62 2f1d h ALA 180 Ca -0.19 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 2f1d h ALA 180 Cb 2.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2f1d h ALA 180 CO 0.23 -0.13 -0.33 0.00 0.00 0.00 0.00 179.25 179.02 2f1d h ARG 181 N -0.10 0.34 -0.10 0.00 3.08 -1.67 -1.16 114.38 114.77 2f1d h ARG 181 Ca 0.03 -0.14 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 2f1d h ARG 181 Cb 0.41 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2f1d h ARG 181 CO 0.01 0.64 -0.71 0.00 -1.07 0.00 0.00 179.97 178.83 2f1d h ALA 182 N 1.36 0.57 -0.25 0.04 0.00 -1.57 -2.89 119.26 116.53 2f1d h ALA 182 Ca 0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 2f1d h ALA 182 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2f1d h ALA 182 CO 0.06 0.74 -0.41 1.25 0.00 0.00 0.00 179.25 180.88 2f1d h LEU 183 N 0.34 0.63 0.07 0.00 6.46 -0.46 -2.62 115.31 119.73 2f1d h LEU 183 Ca -0.03 -0.29 -0.00 0.00 -0.12 0.00 0.00 57.88 57.44 2f1d h LEU 183 Cb 1.29 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2f1d h LEU 183 CO 0.13 0.97 -0.04 -0.09 -0.62 0.00 0.00 178.44 178.79 2f1d h ARG 184 N 0.49 -0.09 -1.04 1.25 2.43 -1.29 -0.79 114.38 115.33 2f1d h ARG 184 Ca 0.04 0.01 0.33 0.00 -0.81 0.00 0.00 59.98 59.55 2f1d h ARG 184 Cb 0.93 0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 30.36 2f1d h ARG 184 CO 0.08 0.25 0.61 0.37 -1.51 0.00 0.00 179.97 179.77 2f1d h GLN 185 N -0.45 0.29 0.17 0.20 4.15 -1.42 0.16 115.11 118.22 2f1d h GLN 185 Ca -0.01 -0.02 -0.32 0.00 0.77 0.00 0.00 58.65 59.08 2f1d h GLN 185 Cb 0.38 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.02 2f1d h GLN 185 CO 0.02 0.19 -1.50 0.00 -1.93 0.00 0.00 178.83 175.61 2f1d h ALA 186 N 1.81 0.09 0.00 3.38 0.00 -1.24 -3.32 119.26 119.98 2f1d h ALA 186 Ca 0.74 -1.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2f1d h ALA 186 Cb 1.77 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2f1d h ALA 186 CO -0.57 0.96 -0.10 1.79 0.00 0.00 0.00 179.25 181.33 2f1d h THR 187 N 0.10 0.22 -4.29 0.00 1.35 0.22 -2.11 112.91 108.40 2f1d h THR 187 Ca -0.24 -0.96 -0.51 0.00 -0.55 0.00 0.00 66.41 64.15 2f1d h THR 187 Cb 2.07 1.80 0.13 0.00 -1.73 0.00 0.00 68.15 70.41 2f1d h THR 187 CO 0.21 0.10 0.32 -1.61 -0.25 0.00 0.00 175.52 174.29 2f1d s GLU 188 N -3.47 2.23 -0.22 4.72 2.02 0.41 -4.79 118.70 119.60 2f1d s GLU 188 Ca 0.03 1.09 -0.19 0.00 0.02 0.00 0.00 54.97 55.92 2f1d s GLU 188 Cb 0.08 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2f1d s GLU 188 CO 0.62 -1.64 0.55 0.95 0.02 0.00 0.00 175.26 175.77 2f1d s THR 189 N -2.93 5.06 0.03 3.63 -4.23 -1.26 -1.65 115.64 114.29 2f1d s THR 189 Ca 0.61 1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 61.82 2f1d s THR 189 Cb -0.17 -3.87 -0.06 0.00 1.34 0.00 0.00 72.50 69.75 2f1d s THR 189 CO 0.56 0.12 1.30 -0.62 -0.54 0.00 0.00 174.62 175.44 2f1d s ASP 190 N 1.30 6.95 -0.89 3.99 -1.08 -0.55 -4.83 116.67 121.57 2f1d s ASP 190 Ca 0.24 2.06 -0.24 0.00 -0.52 0.00 0.00 52.55 54.10 2f1d s ASP 190 Cb -0.16 -2.57 -0.16 0.00 -1.46 0.00 0.00 42.92 38.57 2f1d s ASP 190 CO 0.09 -0.60 1.91 -0.81 0.52 0.00 0.00 175.17 176.28 2f1d n PRO 191 N 4.63 1.25 0.00 4.34 -0.04 -1.26 -4.82 135.00 139.10 2f1d n PRO 191 Ca 0.11 -2.00 0.15 0.00 -0.04 0.00 0.00 63.50 61.72 2f1d n PRO 191 Cb 0.45 -3.31 0.88 0.00 -0.04 0.00 0.00 33.50 31.48 2f1d n PRO 191 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00