#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mss s LYS 3 N 0.00 2.20 0.67 4.33 1.02 -1.26 -5.01 119.74 121.69 1mss s LYS 3 Ca 0.00 1.79 -0.11 0.00 0.02 0.00 0.00 55.97 57.67 1mss s LYS 3 Cb 0.00 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1mss s LYS 3 CO 0.00 -1.80 1.07 -2.14 -0.92 0.00 0.00 175.35 171.56 1mss s PRO 4 N -3.85 3.12 0.07 -1.68 0.02 -1.26 -4.95 135.00 126.47 1mss s PRO 4 Ca 0.75 0.56 -0.35 0.00 0.02 0.00 0.00 61.00 61.98 1mss s PRO 4 Cb -0.30 -2.04 -0.14 0.00 0.02 0.00 0.00 34.50 32.03 1mss s PRO 4 CO 0.44 -0.87 1.58 0.94 -0.33 0.00 0.00 177.00 178.77 1mss n GLN 5 N -2.91 1.82 -1.43 5.54 7.27 -1.26 -4.93 117.38 121.48 1mss n GLN 5 Ca 0.07 0.66 -0.30 0.00 0.07 0.00 0.00 57.00 57.50 1mss n GLN 5 Cb 0.56 -2.40 0.12 0.00 2.41 0.00 0.00 30.24 30.93 1mss n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1mss s PRO 6 N 1.54 1.53 -0.01 3.69 0.04 -1.26 -4.91 135.00 135.63 1mss s PRO 6 Ca 0.84 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1mss s PRO 6 Cb -0.78 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 31.92 1mss s PRO 6 CO 0.45 -2.00 0.01 0.42 0.04 0.00 0.00 177.00 175.92 1mss s ILE 7 N -3.11 -0.01 -0.35 0.56 1.01 -0.86 -1.79 121.20 116.66 1mss s ILE 7 Ca 0.62 0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.42 1mss s ILE 7 Cb -0.16 -0.06 0.10 0.00 0.01 0.00 0.00 42.46 42.35 1mss s ILE 7 CO 0.55 0.05 0.07 0.00 0.00 0.00 0.00 174.94 175.61 1mss s ALA 8 N 0.57 2.81 -0.19 9.38 0.00 0.64 -1.33 121.76 133.64 1mss s ALA 8 Ca -0.05 -2.52 -0.06 0.00 0.00 0.00 0.00 51.96 49.33 1mss s ALA 8 Cb -0.07 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 1mss s ALA 8 CO -0.02 -1.71 0.03 0.00 0.00 0.00 0.00 175.76 174.06 1mss s ALA 9 N 0.87 3.25 -0.28 0.00 0.00 0.28 -1.33 121.76 124.56 1mss s ALA 9 Ca 0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1mss s ALA 9 Cb -0.19 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1mss s ALA 9 CO -0.09 0.08 0.15 0.00 0.00 0.00 0.00 175.76 175.91 1mss s ALA 10 N 0.57 3.40 -0.72 0.00 0.00 0.92 -0.40 121.76 125.53 1mss s ALA 10 Ca 0.01 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1mss s ALA 10 Cb -0.13 -2.36 0.19 0.00 0.00 0.00 0.00 23.12 20.81 1mss s ALA 10 CO 0.02 -0.58 0.63 1.21 0.00 0.00 0.00 175.76 177.04 1mss s ASN 11 N 1.71 6.26 0.12 0.00 2.47 0.12 -0.56 114.94 125.05 1mss s ASN 11 Ca 0.07 -2.57 -0.26 0.00 0.42 0.00 0.00 52.86 50.51 1mss s ASN 11 Cb -0.16 -2.11 -0.07 0.00 -1.45 0.00 0.00 41.25 37.46 1mss s ASN 11 CO 0.08 -0.57 0.81 0.86 -3.72 0.00 0.00 177.10 174.57 1mss s TRP 12 N 0.36 3.84 0.08 0.43 -0.00 0.18 -4.40 118.94 119.43 1mss s TRP 12 Ca 0.15 1.62 0.07 0.00 -0.00 0.00 0.00 56.10 57.94 1mss s TRP 12 Cb -0.16 -2.85 -0.03 0.00 -0.00 0.00 0.00 33.47 30.43 1mss s TRP 12 CO -0.06 0.37 -0.18 0.15 -0.00 0.00 0.00 176.95 177.24 1mss s LYS 13 N -0.57 1.05 0.51 5.86 1.02 -1.26 -3.31 119.74 123.04 1mss s LYS 13 Ca 0.39 -1.03 0.24 0.00 0.02 0.00 0.00 55.97 55.60 1mss s LYS 13 Cb -0.22 -1.19 1.35 0.00 -0.52 0.00 0.00 37.83 37.24 1mss s LYS 13 CO 0.26 0.28 1.97 0.00 -0.92 0.00 0.00 175.35 176.94 1mss n ASN 15 N -4.38 3.13 0.00 0.00 5.15 -1.26 -4.28 115.26 113.62 1mss n ASN 15 Ca 0.11 -2.71 0.00 0.00 -0.60 0.00 0.00 54.58 51.38 1mss n ASN 15 Cb 0.63 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 1mss n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mss n GLY 16 N 5.50 2.11 3.57 8.20 0.00 -1.26 -5.16 105.19 118.15 1mss n GLY 16 Ca 0.46 0.36 -0.31 0.00 0.00 0.00 0.00 46.02 46.53 1mss n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mss n SER 17 N 0.00 -0.57 0.29 1.61 3.41 -1.26 -4.87 113.62 112.22 1mss n SER 17 Ca 0.00 0.30 0.16 0.00 -0.26 0.00 0.00 58.87 59.07 1mss n SER 17 Cb 0.00 -1.37 0.88 0.00 -0.26 0.00 0.00 64.21 63.46 1mss n SER 17 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1mss h GLN 18 N -1.95 0.00 0.11 4.33 3.07 -1.99 -2.25 115.11 116.43 1mss h GLN 18 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.28 1mss h GLN 18 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.84 1mss h GLN 18 CO 0.41 0.05 -0.08 1.96 0.09 0.00 0.00 178.83 181.26 1mss h GLN 19 N 0.00 -0.18 -0.78 0.06 7.50 -1.98 1.52 115.11 121.24 1mss h GLN 19 Ca -0.00 0.01 0.11 0.00 0.50 0.00 0.00 58.65 59.27 1mss h GLN 19 Cb 0.21 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.73 1mss h GLN 19 CO 0.01 -0.12 0.51 0.77 -1.50 0.00 0.00 178.83 178.50 1mss h SER 20 N -0.19 0.61 -0.01 1.46 0.02 -1.75 0.35 113.55 114.04 1mss h SER 20 Ca -0.01 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1mss h SER 20 Cb 0.17 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1mss h SER 20 CO 0.00 0.35 -0.01 0.25 -1.14 0.00 0.00 176.83 176.28 1mss h LEU 21 N 0.67 0.02 -0.03 5.07 6.46 -1.09 -2.04 115.31 124.37 1mss h LEU 21 Ca 0.37 -0.52 0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1mss h LEU 21 Cb 0.52 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1mss h LEU 21 CO -0.14 0.54 -0.31 -1.28 -0.62 0.00 0.00 178.44 176.63 1mss h SER 22 N -0.50 -0.92 -0.82 1.25 0.87 0.31 0.48 113.55 114.23 1mss h SER 22 Ca 0.00 0.12 0.16 0.00 -1.23 0.00 0.00 61.79 60.85 1mss h SER 22 Cb 0.53 0.38 -0.10 0.00 -0.44 0.00 0.00 62.40 62.77 1mss h SER 22 CO 0.00 -0.36 0.36 -0.33 -0.53 0.00 0.00 176.83 175.97 1mss h GLU 23 N -0.44 0.48 -0.32 2.24 5.08 -0.39 -1.11 114.58 120.11 1mss h GLU 23 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1mss h GLU 23 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1mss h GLU 23 CO -0.28 0.32 0.16 -0.07 -1.00 0.00 0.00 179.01 178.14 1mss h LEU 24 N 0.49 0.42 -0.60 1.33 3.38 -0.47 -2.29 115.31 117.58 1mss h LEU 24 Ca 0.46 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.38 1mss h LEU 24 Cb 0.73 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1mss h LEU 24 CO -0.42 0.43 0.27 0.40 0.09 0.00 0.00 178.44 179.21 1mss h ILE 25 N 0.39 0.87 -0.21 1.22 1.08 0.27 -0.34 117.51 120.80 1mss h ILE 25 Ca 0.11 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1mss h ILE 25 Cb 0.12 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1mss h ILE 25 CO -0.01 0.09 -0.07 0.44 -0.69 0.00 0.00 178.15 177.91 1mss h ASP 26 N 0.50 -0.24 -0.16 1.72 3.32 -1.13 0.27 116.42 120.70 1mss h ASP 26 Ca 0.28 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.45 1mss h ASP 26 Cb 0.27 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 1mss h ASP 26 CO -0.23 -0.09 -0.34 0.25 -1.72 0.00 0.00 179.24 177.11 1mss h LEU 27 N -0.02 -1.07 -0.66 1.55 6.46 -0.78 -0.15 115.31 120.63 1mss h LEU 27 Ca 0.10 0.16 0.05 0.00 -0.12 0.00 0.00 57.88 58.07 1mss h LEU 27 Cb 0.18 0.46 -0.05 0.00 -0.73 0.00 0.00 40.66 40.52 1mss h LEU 27 CO -0.23 -0.37 0.39 -0.26 -0.62 0.00 0.00 178.44 177.35 1mss h PHE 28 N -0.40 0.72 -0.17 1.25 0.04 -0.46 -0.73 116.94 117.20 1mss h PHE 28 Ca 0.10 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 1mss h PHE 28 Cb 0.56 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1mss h PHE 28 CO -0.44 0.37 -0.10 -0.91 -0.60 0.00 0.00 178.31 176.63 1mss h ASN 29 N 0.73 0.24 1.31 2.17 2.35 0.08 -2.75 115.58 119.72 1mss h ASN 29 Ca 0.28 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.84 1mss h ASN 29 Cb 0.12 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1mss h ASN 29 CO -0.15 0.38 -0.69 0.28 -1.65 0.00 0.00 177.43 175.60 1mss h SER 30 N 0.25 0.00 -4.11 5.81 0.02 -0.06 -3.46 113.55 111.99 1mss h SER 30 Ca 0.05 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.47 1mss h SER 30 Cb 0.34 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.00 1mss h SER 30 CO 0.02 0.69 0.46 -0.89 -1.14 0.00 0.00 176.83 175.97 1mss s THR 31 N -2.87 2.60 -0.28 -2.27 2.01 -0.38 -5.02 115.64 109.43 1mss s THR 31 Ca 0.03 0.36 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 1mss s THR 31 Cb 0.08 -3.10 0.04 0.00 0.01 0.00 0.00 72.50 69.53 1mss s THR 31 CO 0.77 -0.10 -0.01 -0.55 -0.69 0.00 0.00 174.62 174.05 1mss s SER 32 N -1.69 4.73 -0.27 3.53 0.15 -1.26 -5.02 113.70 113.88 1mss s SER 32 Ca 0.77 -1.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 1mss s SER 32 Cb -0.30 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1mss s SER 32 CO 0.35 -0.21 0.03 -0.63 1.20 0.00 0.00 173.24 173.98 1mss s ILE 33 N 1.32 3.71 -1.98 6.45 1.01 -1.26 -4.98 121.20 125.47 1mss s ILE 33 Ca -0.02 -0.64 0.22 0.00 0.00 0.00 0.00 60.65 60.21 1mss s ILE 33 Cb -0.18 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1mss s ILE 33 CO -0.02 0.20 1.08 -0.46 0.00 0.00 0.00 174.94 175.74 1mss n ASN 34 N 4.83 1.98 -4.77 3.58 0.23 -1.26 -4.99 115.26 114.85 1mss n ASN 34 Ca -0.16 -1.49 -0.23 0.00 -0.53 0.00 0.00 54.58 52.18 1mss n ASN 34 Cb 0.49 0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 38.64 1mss n ASN 34 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1mss s HIS 35 N -2.51 2.72 -0.87 -2.53 -3.43 -1.26 -5.04 115.29 102.37 1mss s HIS 35 Ca 0.18 -0.41 -0.25 0.00 -0.80 0.00 0.00 55.06 53.78 1mss s HIS 35 Cb 0.18 -1.79 0.01 0.00 -1.43 0.00 0.00 32.58 29.56 1mss s HIS 35 CO 0.59 0.23 1.58 0.34 -2.00 0.00 0.00 174.74 175.48 1mss s ASP 36 N -3.92 5.93 -0.02 7.38 2.15 -1.26 -4.93 116.67 122.01 1mss s ASP 36 Ca 0.40 -0.78 -0.07 0.00 0.43 0.00 0.00 52.55 52.54 1mss s ASP 36 Cb -0.02 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1mss s ASP 36 CO 0.24 -1.99 0.15 0.54 -0.17 0.00 0.00 175.17 173.94 1mss s VAL 37 N 6.91 0.05 -0.34 1.11 0.11 -1.26 -4.40 120.40 122.58 1mss s VAL 37 Ca 0.52 -0.45 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1mss s VAL 37 Cb -0.05 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1mss s VAL 37 CO 0.03 -0.25 0.21 -1.58 -3.33 0.00 0.00 175.10 170.17 1mss s GLN 38 N -0.88 3.24 0.06 1.54 2.00 -0.74 -4.93 119.66 119.95 1mss s GLN 38 Ca -0.10 -0.81 -0.05 0.00 -2.00 0.00 0.00 55.36 52.41 1mss s GLN 38 Cb -0.05 -3.72 -0.05 0.00 0.80 0.00 0.00 33.01 29.99 1mss s GLN 38 CO 0.01 -0.52 0.29 0.00 -0.50 0.00 0.00 175.29 174.58 1mss s VAL 40 N -1.46 -0.00 -0.39 0.00 1.01 -0.44 -2.32 120.40 116.80 1mss s VAL 40 Ca 0.34 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1mss s VAL 40 Cb -0.13 -0.27 0.11 0.00 0.00 0.00 0.00 36.38 36.09 1mss s VAL 40 CO 0.21 0.01 0.14 -0.69 0.00 0.00 0.00 175.10 174.76 1mss s VAL 41 N 0.19 1.92 -0.06 2.92 1.01 -0.27 -0.05 120.40 126.06 1mss s VAL 41 Ca -0.01 -2.40 -0.20 0.00 0.00 0.00 0.00 61.98 59.37 1mss s VAL 41 Cb -0.02 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1mss s VAL 41 CO -0.00 -0.71 0.57 0.00 0.00 0.00 0.00 175.10 174.96 1mss s ALA 42 N 0.70 3.46 0.05 5.51 0.00 0.28 -2.49 121.76 129.26 1mss s ALA 42 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 1mss s ALA 42 Cb -0.21 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1mss s ALA 42 CO -0.09 0.06 -0.01 -1.54 0.00 0.00 0.00 175.76 174.18 1mss s SER 43 N 0.26 0.42 0.89 0.00 1.04 -0.85 0.51 113.70 115.97 1mss s SER 43 Ca 0.30 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.75 1mss s SER 43 Cb -0.17 0.19 0.13 0.00 0.10 0.00 0.00 66.02 66.27 1mss s SER 43 CO 0.15 -0.55 1.10 0.42 0.98 0.00 0.00 173.24 175.34 1mss s THR 44 N -3.43 2.65 0.06 2.02 -4.23 -1.21 -4.21 115.64 107.29 1mss s THR 44 Ca 0.02 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 1mss s THR 44 Cb 0.04 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1mss s THR 44 CO -0.08 -0.28 1.11 -1.20 -0.54 0.00 0.00 174.62 173.63 1mss n SER 45 N -3.97 -0.39 -0.35 3.99 7.64 -1.26 -3.03 113.62 116.25 1mss n SER 45 Ca 0.08 1.20 -0.08 0.00 1.01 0.00 0.00 58.87 61.07 1mss n SER 45 Cb 0.54 -0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 1mss n SER 45 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1mss n SER 46 N -3.81 -0.85 -0.08 6.43 7.64 -1.26 -0.86 113.62 120.83 1mss n SER 46 Ca 0.01 1.49 0.14 0.00 1.01 0.00 0.00 58.87 61.52 1mss n SER 46 Cb 0.10 -0.21 0.78 0.00 -1.01 0.00 0.00 64.21 63.86 1mss n SER 46 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1mss n HIS 47 N -5.07 0.01 -0.29 1.43 -0.00 -1.17 -3.99 115.22 106.14 1mss n HIS 47 Ca 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1mss n HIS 47 Cb 0.23 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.35 1mss n HIS 47 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1mss h LEU 48 N 0.37 0.76 0.34 2.41 3.38 -0.93 -0.93 115.31 120.72 1mss h LEU 48 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1mss h LEU 48 Cb 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1mss h LEU 48 CO 0.00 0.49 -0.16 0.00 0.09 0.00 0.00 178.44 178.85 1mss h ALA 49 N 1.39 -0.46 0.00 1.53 0.00 -1.75 -2.32 119.26 117.65 1mss h ALA 49 Ca 0.36 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1mss h ALA 49 Cb 0.18 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1mss h ALA 49 CO -0.18 -0.69 -0.13 1.98 0.00 0.00 0.00 179.25 180.23 1mss h MET 50 N -0.58 -0.21 -0.91 0.00 1.85 -1.77 -0.83 114.93 112.48 1mss h MET 50 Ca -0.05 0.01 0.17 0.00 -0.61 0.00 0.00 59.70 59.23 1mss h MET 50 Cb 0.43 0.05 -0.10 0.00 0.43 0.00 0.00 31.60 32.40 1mss h MET 50 CO 0.08 -0.14 0.50 1.15 -0.40 0.00 0.00 176.91 178.09 1mss h THR 51 N -0.22 0.69 -0.07 -0.77 2.02 -1.18 0.27 112.91 113.64 1mss h THR 51 Ca 0.04 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 1mss h THR 51 Cb 0.27 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1mss h THR 51 CO -0.13 0.12 -0.48 0.50 0.37 0.00 0.00 175.52 175.90 1mss h LYS 52 N 0.65 0.17 0.00 6.66 3.64 -0.88 -0.77 116.57 126.04 1mss h LYS 52 Ca 0.52 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.74 1mss h LYS 52 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1mss h LYS 52 CO -0.39 0.62 -0.48 1.49 -2.27 0.00 0.00 179.45 178.42 1mss h GLU 53 N 0.14 0.00 0.00 1.90 4.81 0.81 -3.38 114.58 118.86 1mss h GLU 53 Ca 0.01 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 1mss h GLU 53 Cb 0.91 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1mss h GLU 53 CO 0.07 0.27 -1.98 0.54 -0.73 0.00 0.00 179.01 177.18 1mss n ARG 54 N -3.10 1.26 -1.93 1.92 1.74 0.49 -4.98 116.66 112.06 1mss n ARG 54 Ca 0.01 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1mss n ARG 54 Cb 0.66 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 1mss n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1mss s LEU 55 N -5.39 4.37 0.00 0.55 0.20 -0.30 -4.88 118.68 113.22 1mss s LEU 55 Ca -0.13 2.52 0.00 0.00 0.69 0.00 0.00 54.13 57.21 1mss s LEU 55 Cb 0.05 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.24 1mss s LEU 55 CO 0.52 -0.86 0.14 -1.54 -0.29 0.00 0.00 176.35 174.31 1mss n SER 56 N 5.11 0.28 -4.70 3.68 3.41 -1.26 -4.92 113.62 115.21 1mss n SER 56 Ca 0.15 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 1mss n SER 56 Cb 0.40 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1mss n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1mss s HIS 57 N -0.01 3.03 0.54 7.33 5.04 -1.26 -4.92 115.29 125.04 1mss s HIS 57 Ca 0.00 0.88 0.20 0.00 -1.54 0.00 0.00 55.06 54.61 1mss s HIS 57 Cb 0.00 -3.67 1.44 0.00 0.04 0.00 0.00 32.58 30.39 1mss s HIS 57 CO 0.00 -2.40 2.17 -1.00 -2.34 0.00 0.00 174.74 171.18 1mss h PRO 58 N 7.38 0.00 -0.11 2.88 0.13 -1.97 -1.98 132.00 138.32 1mss h PRO 58 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1mss h PRO 58 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1mss h PRO 58 CO 0.88 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.28 1mss n LYS 59 N -4.33 1.47 -4.18 0.86 4.76 -1.26 -4.89 118.16 110.59 1mss n LYS 59 Ca -0.02 -0.71 -0.23 0.00 -2.87 0.00 0.00 58.31 54.48 1mss n LYS 59 Cb 0.11 -1.35 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 1mss n LYS 59 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mss s PHE 60 N -1.86 2.80 -0.04 2.13 0.40 -0.75 -1.18 117.98 119.48 1mss s PHE 60 Ca 0.30 -0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.21 1mss s PHE 60 Cb 0.15 -1.38 0.03 0.00 0.51 0.00 0.00 43.02 42.33 1mss s PHE 60 CO 0.24 0.51 0.39 0.14 0.70 0.00 0.00 175.22 177.19 1mss s VAL 61 N -2.31 0.04 0.37 -0.44 -7.23 -0.98 -4.94 120.40 104.91 1mss s VAL 61 Ca 0.34 -0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 1mss s VAL 61 Cb -0.06 -0.67 -0.06 0.00 0.56 0.00 0.00 36.38 36.16 1mss s VAL 61 CO 0.22 -0.18 0.70 -0.63 -0.31 0.00 0.00 175.10 174.90 1mss s ILE 62 N -1.07 4.88 -0.12 -0.62 -1.09 -1.26 -1.11 121.20 120.80 1mss s ILE 62 Ca -0.11 0.37 -0.10 0.00 -2.23 0.00 0.00 60.65 58.58 1mss s ILE 62 Cb -0.04 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1mss s ILE 62 CO 0.05 -0.49 0.31 0.00 -1.23 0.00 0.00 174.94 173.58 1mss s ALA 63 N -2.32 -0.76 1.01 9.38 0.00 -1.04 -3.78 121.76 124.25 1mss s ALA 63 Ca 0.48 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 1mss s ALA 63 Cb -0.10 -0.58 0.07 0.00 0.00 0.00 0.00 23.12 22.51 1mss s ALA 63 CO 0.32 -0.17 0.42 0.00 0.00 0.00 0.00 175.76 176.33 1mss n ALA 64 N 3.31 -0.54 -1.03 0.00 0.00 -0.60 -2.01 120.51 119.64 1mss n ALA 64 Ca -0.16 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1mss n ALA 64 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1mss n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mss n GLN 65 N -1.96 0.11 -3.61 0.00 6.02 -1.26 -1.99 117.38 114.68 1mss n GLN 65 Ca 0.05 -0.57 -0.04 0.00 -0.01 0.00 0.00 57.00 56.44 1mss n GLN 65 Cb 0.19 -0.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.91 1mss n GLN 65 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1mss s ASN 66 N -0.10 -0.18 0.00 1.08 0.01 -1.26 -4.73 114.94 109.76 1mss s ASN 66 Ca 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1mss s ASN 66 Cb 0.00 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.94 1mss s ASN 66 CO 0.00 -0.48 0.00 0.00 -1.51 0.00 0.00 177.10 175.11 1mss n ALA 67 N -0.31 0.00 -1.23 0.60 0.00 -1.26 -4.95 120.51 113.35 1mss n ALA 67 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1mss n ALA 67 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1mss n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mss n GLY 68 N -0.25 1.00 3.64 0.00 0.00 -1.26 -4.82 105.19 103.50 1mss n GLY 68 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1mss n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mss n ASN 69 N 0.00 3.73 -0.50 1.61 3.02 -1.26 -4.81 115.26 117.05 1mss n ASN 69 Ca 0.00 0.75 0.41 0.00 -0.03 0.00 0.00 54.58 55.71 1mss n ASN 69 Cb 0.17 -1.49 0.71 0.00 -0.61 0.00 0.00 39.78 38.57 1mss n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mss h ALA 70 N 11.35 3.11 0.11 5.41 0.00 -1.98 0.56 119.26 137.82 1mss h ALA 70 Ca -0.47 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1mss h ALA 70 Cb 1.25 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1mss h ALA 70 CO 0.95 -1.68 -0.05 -0.44 0.00 0.00 0.00 179.25 178.03 1mss h ASP 71 N 0.06 -0.13 -0.15 0.00 3.32 -1.99 -0.38 116.42 117.15 1mss h ASP 71 Ca 0.82 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 57.56 1mss h ASP 71 Cb 2.86 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 42.41 1mss h ASP 71 CO -0.24 0.30 -0.09 0.00 -1.72 0.00 0.00 179.24 177.49 1mss h ALA 72 N 0.21 0.04 -0.19 3.45 0.00 -0.35 0.98 119.26 123.41 1mss h ALA 72 Ca -0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1mss h ALA 72 Cb 0.47 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1mss h ALA 72 CO 0.03 -0.53 -0.01 -0.07 0.00 0.00 0.00 179.25 178.66 1mss h LEU 80 N -0.09 -0.10 -0.20 0.00 3.38 -1.02 -0.53 115.31 116.75 1mss h LEU 80 Ca 0.09 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1mss h LEU 80 Cb 0.22 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1mss h LEU 80 CO -0.21 -0.02 -0.16 0.00 0.09 0.00 0.00 178.44 178.14 1mss h ALA 81 N 1.17 -0.02 0.36 1.53 0.00 -0.55 0.18 119.26 121.91 1mss h ALA 81 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mss h ALA 81 Cb 0.12 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1mss h ALA 81 CO -0.16 -0.59 -0.46 0.77 0.00 0.00 0.00 179.25 178.81 1mss h SER 82 N -0.17 -1.29 -0.40 0.00 0.02 -0.49 -0.91 113.55 110.31 1mss h SER 82 Ca 0.12 0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 1mss h SER 82 Cb 0.34 0.44 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 1mss h SER 82 CO -0.30 -0.59 -0.25 -0.07 -1.14 0.00 0.00 176.83 174.49 1mss h LEU 83 N -0.86 -0.84 -0.76 5.07 3.38 -0.81 0.54 115.31 121.04 1mss h LEU 83 Ca -0.03 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1mss h LEU 83 Cb 0.78 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 1mss h LEU 83 CO -0.12 -0.27 0.31 0.50 0.09 0.00 0.00 178.44 178.94 1mss h LYS 84 N -0.18 0.44 -0.05 1.13 1.63 -0.38 -0.15 116.57 119.01 1mss h LYS 84 Ca 0.19 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.82 1mss h LYS 84 Cb 0.48 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1mss h LYS 84 CO -0.51 0.29 -0.64 0.22 -3.45 0.00 0.00 179.45 175.36 1mss h ASP 85 N 0.45 0.21 0.83 4.20 3.58 0.39 -3.00 116.42 123.08 1mss h ASP 85 Ca 0.42 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1mss h ASP 85 Cb 0.63 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1mss h ASP 85 CO -0.40 0.80 0.00 0.15 -2.88 0.00 0.00 179.24 176.91 1mss h PHE 86 N 0.13 0.00 0.00 0.28 3.57 0.18 -3.46 116.94 117.64 1mss h PHE 86 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1mss h PHE 86 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1mss h PHE 86 CO 0.02 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.51 1mss n GLY 87 N -0.07 1.36 3.44 2.40 0.00 -0.72 -5.06 105.19 106.54 1mss n GLY 87 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1mss n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mss s VAL 88 N -2.00 4.10 -0.29 1.61 1.01 -0.66 -4.89 120.40 119.28 1mss s VAL 88 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1mss s VAL 88 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1mss s VAL 88 CO 0.00 0.39 0.34 0.59 0.00 0.00 0.00 175.10 176.42 1mss n ASN 89 N 4.58 0.65 -4.54 3.32 5.03 -1.26 -3.78 115.26 119.26 1mss n ASN 89 Ca -0.17 -0.82 -0.30 0.00 0.87 0.00 0.00 54.58 54.16 1mss n ASN 89 Cb 0.51 0.58 -0.11 0.00 -1.02 0.00 0.00 39.78 39.74 1mss n ASN 89 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1mss s TRP 90 N -0.89 2.67 -0.09 3.10 0.52 -1.25 -0.03 118.94 122.97 1mss s TRP 90 Ca 0.03 -0.19 -0.10 0.00 0.02 0.00 0.00 56.10 55.85 1mss s TRP 90 Cb 0.03 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1mss s TRP 90 CO 0.10 0.39 0.28 -1.50 0.02 0.00 0.00 176.95 176.24 1mss s ILE 91 N -1.15 0.01 -0.23 2.03 2.07 0.30 -1.55 121.20 122.68 1mss s ILE 91 Ca 0.19 -0.08 -0.06 0.00 -1.41 0.00 0.00 60.65 59.29 1mss s ILE 91 Cb -0.11 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 1mss s ILE 91 CO 0.11 -0.04 0.04 -0.69 -1.91 0.00 0.00 174.94 172.45 1mss s VAL 92 N -0.07 4.13 0.10 4.00 1.01 -0.84 -0.83 120.40 127.89 1mss s VAL 92 Ca -0.02 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1mss s VAL 92 Cb -0.03 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1mss s VAL 92 CO 0.01 0.38 -0.12 -0.76 0.00 0.00 0.00 175.10 174.60 1mss s LEU 93 N 1.39 2.37 0.00 3.92 1.43 0.18 -4.08 118.68 123.89 1mss s LEU 93 Ca 0.05 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1mss s LEU 93 Cb -0.15 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1mss s LEU 93 CO 0.02 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1mss n GLY 94 N 0.75 0.69 3.65 -3.19 0.00 -1.26 -0.58 105.19 105.26 1mss n GLY 94 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1mss n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1mss n HIS 95 N -2.56 1.83 -0.31 1.61 -0.00 -1.26 -4.43 115.22 110.10 1mss n HIS 95 Ca 0.00 0.62 0.16 0.00 0.46 0.00 0.00 57.72 58.96 1mss n HIS 95 Cb 0.00 -2.34 0.34 0.00 -0.12 0.00 0.00 29.99 27.87 1mss n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1mss h SER 96 N 2.31 0.23 -0.47 0.26 4.64 -1.96 0.32 113.55 118.89 1mss h SER 96 Ca -0.43 0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1mss h SER 96 Cb 1.31 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.57 1mss h SER 96 CO 0.62 -0.10 0.31 -0.08 -0.87 0.00 0.00 176.83 176.71 1mss h GLU 97 N 0.30 0.59 0.29 4.77 4.81 -1.99 -1.76 114.58 121.59 1mss h GLU 97 Ca 0.60 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.78 1mss h GLU 97 Cb 1.23 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1mss h GLU 97 CO -0.60 0.39 -0.14 0.00 -0.73 0.00 0.00 179.01 177.93 1mss h ARG 98 N 0.61 -0.38 -0.62 1.92 2.47 -0.71 -1.42 114.38 116.25 1mss h ARG 98 Ca 0.18 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 59.06 1mss h ARG 98 Cb -0.02 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1mss h ARG 98 CO -0.04 -0.09 0.42 0.00 0.56 0.00 0.00 179.97 180.82 1mss h ARG 99 N -1.00 0.22 0.00 0.04 3.08 -1.33 0.23 114.38 115.62 1mss h ARG 99 Ca -0.04 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1mss h ARG 99 Cb 0.46 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1mss h ARG 99 CO 0.07 0.15 -0.70 0.00 -1.07 0.00 0.00 179.97 178.42 1mss h ALA 100 N 1.70 0.13 0.00 0.04 0.00 -1.38 -3.16 119.26 116.59 1mss h ALA 100 Ca 0.30 -0.80 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1mss h ALA 100 Cb 0.85 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1mss h ALA 100 CO -0.06 0.43 -1.42 1.88 0.00 0.00 0.00 179.25 180.07 1mss h TYR 101 N -1.00 0.00 -0.40 0.00 -1.99 -1.23 -3.38 116.97 108.97 1mss h TYR 101 Ca -0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.56 1mss h TYR 101 Cb 0.97 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1mss h TYR 101 CO 0.08 0.62 0.00 0.66 -0.00 0.00 0.00 178.16 179.52 1mss n TYR 102 N -2.91 0.53 -3.37 4.88 4.02 0.06 -4.99 117.16 115.37 1mss n TYR 102 Ca -0.10 -0.46 -0.16 0.00 -0.01 0.00 0.00 57.90 57.17 1mss n TYR 102 Cb 0.86 -0.02 0.09 0.00 -0.02 0.00 0.00 39.34 40.24 1mss n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mss n GLY 103 N 0.76 -0.47 3.38 2.72 0.00 -1.15 -4.95 105.19 105.47 1mss n GLY 103 Ca 0.14 0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 1mss n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mss s GLU 104 N -5.18 2.99 0.98 1.61 2.02 -1.19 -4.99 118.70 114.94 1mss s GLU 104 Ca 0.07 -1.39 -0.15 0.00 0.02 0.00 0.00 54.97 53.52 1mss s GLU 104 Cb -0.01 -4.16 0.19 0.00 0.10 0.00 0.00 34.13 30.25 1mss s GLU 104 CO 0.72 -1.10 1.21 0.95 0.02 0.00 0.00 175.26 177.06 1mss s THR 105 N 1.71 1.91 0.49 3.63 -4.23 -1.26 -4.27 115.64 113.62 1mss s THR 105 Ca 0.05 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1mss s THR 105 Cb -0.25 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.00 1mss s THR 105 CO 0.06 0.00 2.08 0.78 -0.54 0.00 0.00 174.62 177.00 1mss h ASN 106 N -1.74 0.00 0.05 3.99 4.21 -1.97 -2.22 115.58 117.90 1mss h ASN 106 Ca -0.46 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 56.94 1mss h ASN 106 Cb 1.28 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.50 1mss h ASN 106 CO 0.47 0.08 -0.46 -0.33 -1.29 0.00 0.00 177.43 175.90 1mss h GLU 107 N 0.00 0.22 -0.25 0.81 3.07 -1.95 -2.30 114.58 114.18 1mss h GLU 107 Ca -0.00 -0.31 0.06 0.00 -0.50 0.00 0.00 59.36 58.61 1mss h GLU 107 Cb 0.15 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 1mss h GLU 107 CO 0.01 1.08 -0.12 0.82 -1.40 0.00 0.00 179.01 179.40 1mss h ILE 108 N -0.49 0.62 -0.21 3.13 1.08 -1.87 0.48 117.51 120.26 1mss h ILE 108 Ca -0.07 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1mss h ILE 108 Cb 1.28 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 1mss h ILE 108 CO 0.09 0.00 0.06 0.58 -0.69 0.00 0.00 178.15 178.19 1mss h VAL 109 N -0.09 0.94 -0.96 1.67 2.07 -1.51 -1.57 116.25 116.80 1mss h VAL 109 Ca 0.13 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1mss h VAL 109 Cb 0.29 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 1mss h VAL 109 CO -0.30 0.03 0.60 0.00 0.02 0.00 0.00 177.57 177.92 1mss h ALA 110 N 1.13 1.40 0.48 1.67 0.00 -0.80 -0.90 119.26 122.24 1mss h ALA 110 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mss h ALA 110 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1mss h ALA 110 CO -0.10 0.28 -0.23 -0.44 0.00 0.00 0.00 179.25 178.76 1mss h ASP 111 N 1.02 -0.55 -0.29 0.00 3.32 -0.40 -2.01 116.42 117.51 1mss h ASP 111 Ca 0.45 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.52 1mss h ASP 111 Cb 0.34 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.95 1mss h ASP 111 CO -0.23 -0.28 -0.30 0.11 -1.72 0.00 0.00 179.24 176.81 1mss h LYS 112 N -0.79 -0.28 -0.86 3.56 1.57 -0.95 0.17 116.57 118.99 1mss h LYS 112 Ca -0.07 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.92 1mss h LYS 112 Cb 0.56 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.82 1mss h LYS 112 CO 0.11 -0.19 0.38 0.28 -0.57 0.00 0.00 179.45 179.46 1mss h VAL 113 N -0.29 0.57 -0.53 0.50 2.07 -1.16 0.63 116.25 118.04 1mss h VAL 113 Ca 0.14 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1mss h VAL 113 Cb 0.52 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1mss h VAL 113 CO -0.45 0.08 0.01 0.00 0.02 0.00 0.00 177.57 177.23 1mss h ALA 114 N 1.64 1.02 0.70 1.67 0.00 -0.26 -1.96 119.26 122.07 1mss h ALA 114 Ca 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1mss h ALA 114 Cb 0.88 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1mss h ALA 114 CO -0.47 0.61 -0.34 0.00 0.00 0.00 0.00 179.25 179.05 1mss h ALA 115 N 1.18 -0.94 -0.56 0.00 0.00 0.83 -2.41 119.26 117.36 1mss h ALA 115 Ca 0.16 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1mss h ALA 115 Cb 0.47 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1mss h ALA 115 CO 0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 179.25 178.29 1mss h ALA 116 N -0.90 0.50 -0.91 0.00 0.00 -1.08 0.16 119.26 117.03 1mss h ALA 116 Ca -0.10 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1mss h ALA 116 Cb 0.75 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1mss h ALA 116 CO 0.16 -0.40 0.60 0.28 0.00 0.00 0.00 179.25 179.88 1mss h VAL 117 N 0.09 1.12 -0.01 0.00 2.07 -1.36 -0.17 116.25 117.99 1mss h VAL 117 Ca 0.28 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1mss h VAL 117 Cb 0.44 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1mss h VAL 117 CO -0.49 0.20 -0.50 0.00 0.02 0.00 0.00 177.57 176.80 1mss h ALA 118 N 1.48 1.16 -0.03 1.67 0.00 -0.51 -2.20 119.26 120.84 1mss h ALA 118 Ca 0.37 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mss h ALA 118 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mss h ALA 118 CO -0.13 0.63 0.00 0.43 0.00 0.00 0.00 179.25 180.18 1mss n SER 119 N -3.94 0.33 -0.36 0.00 7.64 -0.20 -4.89 113.62 112.20 1mss n SER 119 Ca -0.02 -1.39 -0.01 0.00 1.01 0.00 0.00 58.87 58.46 1mss n SER 119 Cb 0.52 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1mss n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mss n GLY 120 N 0.90 0.53 3.95 0.23 0.00 -0.82 -5.03 105.19 104.94 1mss n GLY 120 Ca 0.16 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 1mss n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mss s PHE 121 N -2.43 3.48 -0.22 1.61 0.40 -0.20 -4.99 117.98 115.64 1mss s PHE 121 Ca 0.01 0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.32 1mss s PHE 121 Cb -0.01 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1mss s PHE 121 CO 0.02 0.47 0.39 -1.64 0.70 0.00 0.00 175.22 175.15 1mss s MET 122 N -3.45 4.14 -0.07 0.44 -1.94 0.95 -4.35 119.30 115.03 1mss s MET 122 Ca 0.35 0.15 0.01 0.00 -1.71 0.00 0.00 55.69 54.49 1mss s MET 122 Cb -0.11 -3.56 -0.03 0.00 2.01 0.00 0.00 34.83 33.14 1mss s MET 122 CO 0.29 -0.08 -0.07 0.08 -0.01 0.00 0.00 175.02 175.23 1mss s VAL 123 N 1.46 3.70 -0.38 -6.03 1.01 -0.23 -0.54 120.40 119.40 1mss s VAL 123 Ca 0.18 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1mss s VAL 123 Cb -0.15 -2.52 0.10 0.00 0.00 0.00 0.00 36.38 33.81 1mss s VAL 123 CO 0.08 0.59 0.15 -0.63 0.00 0.00 0.00 175.10 175.29 1mss s ILE 124 N -0.82 3.12 -0.18 2.22 1.01 -0.01 -1.05 121.20 125.49 1mss s ILE 124 Ca 0.13 -1.97 -0.14 0.00 0.00 0.00 0.00 60.65 58.66 1mss s ILE 124 Cb -0.11 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1mss s ILE 124 CO 0.02 -0.58 0.32 0.00 0.00 0.00 0.00 174.94 174.69 1mss s ALA 125 N 1.13 3.58 -0.17 9.38 0.00 0.36 -0.64 121.76 135.39 1mss s ALA 125 Ca 0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 1mss s ALA 125 Cb -0.22 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1mss s ALA 125 CO -0.04 -0.04 0.20 0.00 0.00 0.00 0.00 175.76 175.88 1mss s ILE 127 N 0.21 0.56 0.00 0.00 -4.36 -0.81 -4.60 121.20 112.19 1mss s ILE 127 Ca 0.12 -1.29 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 1mss s ILE 127 Cb -0.12 -0.87 0.00 0.00 1.25 0.00 0.00 42.46 42.72 1mss s ILE 127 CO 0.01 -0.51 0.00 0.61 0.24 0.00 0.00 174.94 175.29 1mss n GLY 128 N 1.09 2.42 3.89 6.27 0.00 -1.26 -0.53 105.19 117.07 1mss n GLY 128 Ca -0.20 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1mss n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mss s GLU 129 N -2.00 3.01 0.54 1.61 1.03 -1.25 -4.86 118.70 116.78 1mss s GLU 129 Ca 0.00 -1.05 0.04 0.00 0.03 0.00 0.00 54.97 53.99 1mss s GLU 129 Cb 0.00 -2.65 0.04 0.00 -0.80 0.00 0.00 34.13 30.72 1mss s GLU 129 CO 0.00 0.27 0.75 0.95 -1.33 0.00 0.00 175.26 175.90 1mss s THR 130 N -2.15 2.64 0.13 1.83 -4.23 -1.26 -2.02 115.64 110.58 1mss s THR 130 Ca 0.37 -0.78 -0.20 0.00 -1.18 0.00 0.00 61.69 59.90 1mss s THR 130 Cb -0.08 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1mss s THR 130 CO 0.27 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.29 1mss h LEU 131 N 0.16 -0.28 -0.57 4.79 5.85 -1.81 0.10 115.31 123.55 1mss h LEU 131 Ca -0.40 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1mss h LEU 131 Cb 1.29 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 1mss h LEU 131 CO 0.48 -0.11 0.28 -0.61 -0.34 0.00 0.00 178.44 178.14 1mss h GLN 132 N -0.06 0.52 -0.38 1.25 5.75 -1.96 0.38 115.11 120.61 1mss h GLN 132 Ca 0.10 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1mss h GLN 132 Cb 0.21 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1mss h GLN 132 CO -0.23 0.34 0.17 0.93 -2.65 0.00 0.00 178.83 177.39 1mss h GLU 133 N 0.53 0.56 -0.18 1.69 5.08 -1.80 -0.79 114.58 119.66 1mss h GLU 133 Ca 0.26 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1mss h GLU 133 Cb 0.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1mss h GLU 133 CO -0.20 0.51 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.20 1mss h ARG 134 N 0.48 0.34 0.00 2.33 2.43 -0.58 0.53 114.38 119.91 1mss h ARG 134 Ca 0.13 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mss h ARG 134 Cb 0.14 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1mss h ARG 134 CO -0.01 0.59 -0.01 1.49 -1.51 0.00 0.00 179.97 180.52 1mss h GLU 135 N 0.07 0.00 -0.15 0.20 4.81 -0.16 -0.08 114.58 119.28 1mss h GLU 135 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1mss h GLU 135 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1mss h GLU 135 CO 0.02 0.01 0.00 0.43 -0.73 0.00 0.00 179.01 178.74 1mss n SER 136 N -3.67 2.38 -0.59 1.04 7.64 -0.31 -4.93 113.62 115.18 1mss n SER 136 Ca -0.03 -1.80 -0.07 0.00 1.01 0.00 0.00 58.87 57.98 1mss n SER 136 Cb 0.09 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1mss n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mss n GLY 137 N 1.28 0.75 0.08 0.23 0.00 -0.04 -4.92 105.19 102.58 1mss n GLY 137 Ca 0.17 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.62 1mss n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mss n ARG 138 N -2.57 0.32 -0.32 1.61 1.74 0.18 -4.58 116.66 113.04 1mss n ARG 138 Ca -0.07 -0.17 -0.06 0.00 -0.77 0.00 0.00 57.85 56.78 1mss n ARG 138 Cb 0.30 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1mss n ARG 138 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1mss n THR 139 N -1.19 -0.50 -0.14 0.55 -1.04 -1.21 -0.39 114.28 110.36 1mss n THR 139 Ca 0.09 1.89 -0.10 0.00 -2.04 0.00 0.00 64.05 63.89 1mss n THR 139 Cb 0.33 -2.38 -0.01 0.00 -1.82 0.00 0.00 70.33 66.45 1mss n THR 139 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mss h ALA 140 N 0.61 0.54 -0.63 2.41 0.00 -1.95 -2.39 119.26 117.85 1mss h ALA 140 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1mss h ALA 140 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1mss h ALA 140 CO -0.75 0.29 0.36 0.28 0.00 0.00 0.00 179.25 179.42 1mss h VAL 141 N 0.54 1.20 0.20 0.00 2.07 -1.42 -1.73 116.25 117.11 1mss h VAL 141 Ca 0.12 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1mss h VAL 141 Cb 0.42 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1mss h VAL 141 CO 0.01 0.21 -0.10 0.58 0.02 0.00 0.00 177.57 178.30 1mss h VAL 142 N 0.86 0.00 -0.87 2.57 2.07 -0.66 -1.99 116.25 118.24 1mss h VAL 142 Ca 0.22 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.78 1mss h VAL 142 Cb 0.03 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.71 1mss h VAL 142 CO -0.04 0.00 0.50 -0.37 0.02 0.00 0.00 177.57 177.68 1mss h VAL 143 N -0.35 0.85 -0.59 2.57 -1.51 -1.52 -0.02 116.25 115.69 1mss h VAL 143 Ca -0.03 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 65.14 1mss h VAL 143 Cb 0.20 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.34 1mss h VAL 143 CO 0.04 0.14 0.22 -0.07 -1.23 0.00 0.00 177.57 176.67 1mss h LEU 144 N 0.78 0.80 -0.02 4.19 3.38 -1.40 -1.63 115.31 121.41 1mss h LEU 144 Ca 0.44 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1mss h LEU 144 Cb 0.49 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1mss h LEU 144 CO -0.29 0.74 0.00 0.74 0.09 0.00 0.00 178.44 179.72 1mss h THR 145 N 0.86 1.24 -0.25 0.22 2.02 -0.33 -0.91 112.91 115.76 1mss h THR 145 Ca 0.20 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.74 1mss h THR 145 Cb 0.20 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 1mss h THR 145 CO -0.01 0.19 -0.21 1.56 0.37 0.00 0.00 175.52 177.42 1mss h GLN 146 N -0.25 -0.20 -0.27 6.66 4.20 -0.74 -1.52 115.11 122.99 1mss h GLN 146 Ca 0.01 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1mss h GLN 146 Cb 0.30 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1mss h GLN 146 CO 0.00 -0.13 -0.23 0.97 -0.67 0.00 0.00 178.83 178.77 1mss h ILE 147 N -0.20 1.26 -0.66 2.54 2.10 -1.30 -2.70 117.51 118.56 1mss h ILE 147 Ca 0.14 -1.25 -0.02 0.00 1.08 0.00 0.00 64.86 64.81 1mss h ILE 147 Cb 0.41 1.31 -0.03 0.00 -1.09 0.00 0.00 36.82 37.43 1mss h ILE 147 CO -0.37 0.40 0.34 0.00 -1.08 0.00 0.00 178.15 177.44 1mss h ALA 148 N 1.29 1.36 -0.40 0.18 0.00 -0.48 -0.52 119.26 120.70 1mss h ALA 148 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1mss h ALA 148 Cb 0.66 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1mss h ALA 148 CO 0.05 0.52 0.23 0.00 0.00 0.00 0.00 179.25 180.04 1mss h ALA 149 N 1.45 0.51 -0.24 0.00 0.00 -0.97 -1.47 119.26 118.54 1mss h ALA 149 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1mss h ALA 149 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1mss h ALA 149 CO -0.03 0.02 0.05 0.82 0.00 0.00 0.00 179.25 180.10 1mss h ILE 150 N 0.52 1.22 -0.78 0.00 2.04 -1.32 -3.15 117.51 116.04 1mss h ILE 150 Ca 0.14 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1mss h ILE 150 Cb 0.03 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1mss h ILE 150 CO -0.02 0.23 0.51 0.00 0.00 0.00 0.00 178.15 178.86 1mss h ALA 151 N 0.86 1.50 0.00 1.87 0.00 -0.89 -2.83 119.26 119.77 1mss h ALA 151 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1mss h ALA 151 Cb 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mss h ALA 151 CO 0.00 0.44 -0.06 1.57 0.00 0.00 0.00 179.25 181.21 1mss h LYS 152 N 1.00 0.00 -0.65 0.00 2.10 -1.22 -2.08 116.57 115.71 1mss h LYS 152 Ca 0.30 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.82 1mss h LYS 152 Cb -0.03 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.22 1mss h LYS 152 CO -0.08 0.06 0.16 1.63 -2.00 0.00 0.00 179.45 179.22 1mss n LYS 153 N -3.67 4.10 -4.26 0.07 5.02 -1.07 -4.95 118.16 113.40 1mss n LYS 153 Ca -0.02 -3.12 -0.14 0.00 -2.02 0.00 0.00 58.31 53.01 1mss n LYS 153 Cb 0.16 -2.22 -0.10 0.00 -0.02 0.00 0.00 35.03 32.85 1mss n LYS 153 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mss s LEU 154 N -2.92 2.34 0.30 -0.35 1.43 -0.78 -4.82 118.68 113.88 1mss s LEU 154 Ca 0.54 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1mss s LEU 154 Cb 0.43 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 46.39 1mss s LEU 154 CO 0.14 -0.45 0.12 -0.54 0.23 0.00 0.00 176.35 175.85 1mss s LYS 155 N -3.83 2.49 0.54 1.70 1.02 -1.26 -5.00 119.74 115.39 1mss s LYS 155 Ca 0.21 -1.39 0.30 0.00 0.02 0.00 0.00 55.97 55.11 1mss s LYS 155 Cb 0.05 -2.27 1.46 0.00 -0.52 0.00 0.00 37.83 36.55 1mss s LYS 155 CO 0.03 0.25 1.91 -0.22 -0.92 0.00 0.00 175.35 176.40 1mss h LYS 156 N 1.62 0.00 -0.01 1.68 3.64 -1.97 -0.86 116.57 120.67 1mss h LYS 156 Ca -0.45 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.73 1mss h LYS 156 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1mss h LYS 156 CO 0.61 0.00 -0.85 0.00 -2.27 0.00 0.00 179.45 176.94 1mss h ALA 157 N 1.58 0.53 -0.24 5.00 0.00 -2.03 -3.26 119.26 120.84 1mss h ALA 157 Ca 0.36 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1mss h ALA 157 Cb 1.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1mss h ALA 157 CO -0.00 0.87 -0.00 -0.44 0.00 0.00 0.00 179.25 179.67 1mss h ASP 158 N 0.15 0.33 -0.35 0.00 3.32 -1.54 -3.02 116.42 115.30 1mss h ASP 158 Ca -0.05 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.06 1mss h ASP 158 Cb 1.47 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1mss h ASP 158 CO 0.13 0.39 0.52 -0.50 -1.72 0.00 0.00 179.24 178.07 1mss h TRP 159 N 0.35 0.00 0.00 4.55 4.06 -1.60 0.21 115.95 123.52 1mss h TRP 159 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1mss h TRP 159 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1mss h TRP 159 CO 0.01 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.89 1mss h ALA 160 N 1.28 1.00 -0.35 1.49 0.00 -1.76 -1.32 119.26 119.59 1mss h ALA 160 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mss h ALA 160 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1mss h ALA 160 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1mss n LYS 161 N -2.59 3.04 -4.69 0.00 4.76 0.72 -4.98 118.16 114.42 1mss n LYS 161 Ca 0.00 -2.51 -0.33 0.00 -2.87 0.00 0.00 58.31 52.61 1mss n LYS 161 Cb 0.19 -1.61 -0.12 0.00 -1.84 0.00 0.00 35.03 31.65 1mss n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1mss s VAL 162 N -1.90 3.37 -0.04 -0.18 1.01 -0.50 -1.06 120.40 121.10 1mss s VAL 162 Ca 0.35 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1mss s VAL 162 Cb 0.24 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1mss s VAL 162 CO 0.14 0.53 0.04 -0.69 0.00 0.00 0.00 175.10 175.11 1mss s VAL 163 N -0.83 0.02 -0.17 2.92 1.01 -0.22 -4.56 120.40 118.58 1mss s VAL 163 Ca 0.13 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 1mss s VAL 163 Cb -0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 1mss s VAL 163 CO 0.03 0.17 0.29 -0.63 0.00 0.00 0.00 175.10 174.96 1mss s ILE 164 N 1.76 5.31 -0.24 2.22 -1.09 -0.32 -0.49 121.20 128.35 1mss s ILE 164 Ca 0.00 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1mss s ILE 164 Cb -0.12 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1mss s ILE 164 CO -0.03 0.38 -0.11 0.00 -1.23 0.00 0.00 174.94 173.95 1mss s ALA 165 N 0.53 2.56 -0.21 9.38 0.00 0.35 0.77 121.76 135.14 1mss s ALA 165 Ca 0.16 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 1mss s ALA 165 Cb -0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 1mss s ALA 165 CO 0.04 -0.89 0.73 -0.47 0.00 0.00 0.00 175.76 175.16 1mss s TYR 166 N 1.22 3.36 -0.32 0.00 5.04 0.21 -1.93 117.35 124.92 1mss s TYR 166 Ca -0.03 1.05 -0.08 0.00 -2.44 0.00 0.00 57.07 55.56 1mss s TYR 166 Cb -0.17 -2.92 0.01 0.00 0.35 0.00 0.00 41.96 39.23 1mss s TYR 166 CO -0.07 -0.27 0.13 -2.00 -1.34 0.00 0.00 175.55 172.01 1mss s GLU 167 N 2.28 3.01 -1.24 4.97 2.12 0.31 0.69 118.70 130.84 1mss s GLU 167 Ca 0.32 -0.93 -0.13 0.00 0.36 0.00 0.00 54.97 54.59 1mss s GLU 167 Cb -0.16 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 1mss s GLU 167 CO 0.10 -0.53 2.32 -0.35 -0.54 0.00 0.00 175.26 176.26 1mss n PRO 168 N 4.92 2.61 -0.35 4.30 -0.04 -1.26 -3.90 135.00 141.28 1mss n PRO 168 Ca -0.13 -2.11 0.25 0.00 -0.04 0.00 0.00 63.50 61.47 1mss n PRO 168 Cb 0.47 -2.92 0.51 0.00 -0.04 0.00 0.00 33.50 31.52 1mss n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mss h VAL 169 N 3.75 0.42 0.00 0.52 2.07 -1.85 0.65 116.25 121.80 1mss h VAL 169 Ca 0.60 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 68.00 1mss h VAL 169 Cb 0.46 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1mss h VAL 169 CO 1.80 0.07 0.00 4.11 0.02 0.00 0.00 177.57 183.56 1mss h TRP 170 N 0.36 0.00 0.00 1.57 5.08 -1.65 -2.10 115.95 119.21 1mss h TRP 170 Ca 0.66 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.63 1mss h TRP 170 Cb 1.68 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.84 1mss h TRP 170 CO -0.00 0.00 -1.04 0.00 -1.28 0.00 0.00 178.44 176.11 1mss n ALA 171 N -1.95 4.18 -2.57 0.11 0.00 0.23 -4.60 120.51 115.90 1mss n ALA 171 Ca -0.01 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 1mss n ALA 171 Cb 0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1mss n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mss s ILE 172 N -3.09 4.29 -1.30 0.00 1.01 -0.79 -4.11 121.20 117.20 1mss s ILE 172 Ca 0.06 1.41 -0.15 0.00 0.00 0.00 0.00 60.65 61.97 1mss s ILE 172 Cb 0.16 -4.44 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1mss s ILE 172 CO 0.84 -0.71 0.53 0.61 0.00 0.00 0.00 174.94 176.20 1mss n GLY 173 N 4.41 -0.58 0.00 6.18 0.00 -1.26 -4.86 105.19 109.08 1mss n GLY 173 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1mss n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mss n THR 174 N -4.54 0.00 0.00 2.61 -2.24 -1.26 -5.00 114.28 103.85 1mss n THR 174 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1mss n THR 174 Cb 0.63 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1mss n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mss n GLY 175 N 1.52 2.97 3.80 3.38 0.00 -1.26 -5.06 105.19 110.54 1mss n GLY 175 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1mss n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mss s LYS 176 N -0.57 3.61 -0.12 1.61 -0.14 -1.26 -5.05 119.74 117.81 1mss s LYS 176 Ca 0.00 1.32 -0.01 0.00 -1.36 0.00 0.00 55.97 55.92 1mss s LYS 176 Cb 0.00 -2.07 0.04 0.00 -1.68 0.00 0.00 37.83 34.12 1mss s LYS 176 CO 0.00 -0.58 -0.01 0.08 -0.76 0.00 0.00 175.35 174.07 1mss s VAL 177 N -2.12 0.66 0.24 3.17 1.01 -1.26 -4.73 120.40 117.36 1mss s VAL 177 Ca 0.66 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1mss s VAL 177 Cb -0.17 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 1mss s VAL 177 CO 0.26 0.15 0.92 0.00 0.00 0.00 0.00 175.10 176.43 1mss s ALA 178 N 1.84 3.34 0.21 5.51 0.00 -1.26 -5.06 121.76 126.34 1mss s ALA 178 Ca 0.03 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.61 1mss s ALA 178 Cb -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1mss s ALA 178 CO -0.07 0.22 0.29 0.95 0.00 0.00 0.00 175.76 177.15 1mss s THR 179 N -1.21 5.06 0.60 0.00 -4.23 -1.26 -4.97 115.64 109.62 1mss s THR 179 Ca 0.41 -0.98 0.30 0.00 -1.18 0.00 0.00 61.69 60.24 1mss s THR 179 Cb -0.25 -3.69 0.36 0.00 1.34 0.00 0.00 72.50 70.26 1mss s THR 179 CO 0.31 -0.24 2.13 -0.65 -0.54 0.00 0.00 174.62 175.62 1mss h PRO 180 N 1.64 0.00 0.10 3.99 0.11 -1.96 -0.38 132.00 135.50 1mss h PRO 180 Ca -0.50 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.34 1mss h PRO 180 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1mss h PRO 180 CO 0.63 0.00 -1.18 1.96 -0.21 0.00 0.00 178.00 179.20 1mss h GLN 181 N 0.00 0.40 0.00 1.05 7.50 -1.96 -2.13 115.11 119.97 1mss h GLN 181 Ca 0.07 -0.57 -0.08 0.00 0.50 0.00 0.00 58.65 58.57 1mss h GLN 181 Cb 0.41 0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.12 1mss h GLN 181 CO -0.00 1.24 -0.36 1.96 -1.50 0.00 0.00 178.83 180.17 1mss h GLN 182 N 0.16 0.00 0.20 1.46 4.20 -1.49 -2.29 115.11 117.36 1mss h GLN 182 Ca -0.14 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1mss h GLN 182 Cb 1.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.65 1mss h GLN 182 CO 0.21 0.36 -0.10 0.00 -0.67 0.00 0.00 178.83 178.63 1mss h ALA 183 N 1.64 -0.27 -0.76 3.87 0.00 -1.26 -2.82 119.26 119.66 1mss h ALA 183 Ca -0.00 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 54.90 1mss h ALA 183 Cb 0.68 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1mss h ALA 183 CO 0.05 -0.36 0.54 0.37 0.00 0.00 0.00 179.25 179.84 1mss h GLN 184 N -0.85 0.09 -0.29 0.00 5.75 -1.34 0.38 115.11 118.85 1mss h GLN 184 Ca -0.03 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1mss h GLN 184 Cb 0.51 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1mss h GLN 184 CO 0.05 0.06 0.05 1.49 -2.65 0.00 0.00 178.83 177.82 1mss h GLU 185 N 0.10 0.47 -0.18 1.69 4.81 -1.38 0.19 114.58 120.27 1mss h GLU 185 Ca 0.37 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1mss h GLU 185 Cb 1.32 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1mss h GLU 185 CO -0.04 0.58 -0.08 0.00 -0.73 0.00 0.00 179.01 178.74 1mss h ALA 186 N 0.87 0.26 -0.94 2.92 0.00 -0.17 -2.43 119.26 119.78 1mss h ALA 186 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1mss h ALA 186 Cb 0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1mss h ALA 186 CO 0.01 0.07 0.57 0.45 0.00 0.00 0.00 179.25 180.35 1mss h HIS 187 N 0.07 1.23 -0.71 0.00 3.86 -0.59 -2.10 115.15 116.91 1mss h HIS 187 Ca 0.04 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1mss h HIS 187 Cb 0.56 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1mss h HIS 187 CO 0.06 0.81 0.27 0.00 0.86 0.00 0.00 177.93 179.93 1mss h ALA 188 N 1.31 1.12 -0.31 2.45 0.00 -0.89 -1.61 119.26 121.34 1mss h ALA 188 Ca 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1mss h ALA 188 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1mss h ALA 188 CO -0.06 0.62 0.05 1.25 0.00 0.00 0.00 179.25 181.11 1mss h LEU 189 N 1.04 0.49 0.17 0.00 5.85 -1.03 -2.02 115.31 119.81 1mss h LEU 189 Ca 0.24 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1mss h LEU 189 Cb 0.23 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1mss h LEU 189 CO -0.02 0.62 -0.10 0.40 -0.34 0.00 0.00 178.44 179.00 1mss h ILE 190 N 0.34 0.78 -0.96 4.05 2.04 -1.18 -2.67 117.51 119.92 1mss h ILE 190 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1mss h ILE 190 Cb 0.33 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1mss h ILE 190 CO 0.01 0.00 0.63 -0.09 0.00 0.00 0.00 178.15 178.70 1mss h ARG 191 N -0.26 1.19 0.16 2.37 2.43 -1.29 -2.51 114.38 116.48 1mss h ARG 191 Ca -0.01 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1mss h ARG 191 Cb 0.22 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1mss h ARG 191 CO 0.01 0.79 -0.22 1.03 -1.51 0.00 0.00 179.97 180.07 1mss h SER 192 N 1.22 -0.59 -0.49 -3.80 0.87 -1.13 0.18 113.55 109.81 1mss h SER 192 Ca 0.38 0.06 0.10 0.00 -1.23 0.00 0.00 61.79 61.10 1mss h SER 192 Cb -0.02 0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 1mss h SER 192 CO -0.11 -0.31 -0.02 -0.25 -0.53 0.00 0.00 176.83 175.61 1mss h TRP 193 N -0.44 -0.06 -0.59 2.24 7.01 -1.26 -0.12 115.95 122.73 1mss h TRP 193 Ca 0.01 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.08 1mss h TRP 193 Cb 0.43 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 1mss h TRP 193 CO -0.18 -0.13 0.39 0.28 -2.79 0.00 0.00 178.44 176.01 1mss h VAL 194 N 0.10 1.09 -0.29 2.65 2.07 -1.01 0.86 116.25 121.71 1mss h VAL 194 Ca 0.25 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1mss h VAL 194 Cb 0.37 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1mss h VAL 194 CO -0.43 0.13 -0.15 -1.28 0.02 0.00 0.00 177.57 175.86 1mss h SER 195 N 0.71 0.64 0.83 0.57 0.87 0.81 0.17 113.55 118.16 1mss h SER 195 Ca 0.23 -0.42 -0.18 0.00 -1.23 0.00 0.00 61.79 60.20 1mss h SER 195 Cb 0.06 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1mss h SER 195 CO -0.06 0.92 -1.26 0.77 -0.53 0.00 0.00 176.83 176.66 1mss h SER 196 N 0.37 0.00 0.07 6.23 4.64 -0.83 -2.78 113.55 121.25 1mss h SER 196 Ca 0.06 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 1mss h SER 196 Cb 0.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1mss h SER 196 CO 0.05 0.65 -1.26 0.11 -0.87 0.00 0.00 176.83 175.51 1mss h LYS 197 N 0.00 0.16 0.00 4.77 1.79 0.68 -3.43 116.57 120.54 1mss h LYS 197 Ca -0.14 -0.27 -0.42 0.00 -2.18 0.00 0.00 60.65 57.64 1mss h LYS 197 Cb 1.62 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 32.30 1mss h LYS 197 CO 0.06 1.13 -2.41 -0.89 -1.08 0.00 0.00 179.45 176.26 1mss n ILE 198 N -4.10 1.38 0.00 1.86 5.41 -0.19 -5.04 119.36 118.68 1mss n ILE 198 Ca -0.26 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.13 1mss n ILE 198 Cb 0.81 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 1mss n ILE 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mss n GLY 199 N 1.48 4.21 0.27 7.39 0.00 -0.13 -4.92 105.19 113.48 1mss n GLY 199 Ca -0.49 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 44.69 1mss n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mss h ALA 200 N 0.00 1.00 0.03 4.61 0.00 -1.78 -0.38 119.26 122.73 1mss h ALA 200 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1mss h ALA 200 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1mss h ALA 200 CO 0.00 -0.10 -0.48 0.38 0.00 0.00 0.00 179.25 179.05 1mss h ASP 201 N 0.55 -1.47 -0.18 0.00 3.04 -1.93 0.99 116.42 117.42 1mss h ASP 201 Ca 0.37 0.16 0.05 0.00 -3.24 0.00 0.00 57.03 54.37 1mss h ASP 201 Cb 0.45 0.55 -0.06 0.00 -1.04 0.00 0.00 39.33 39.23 1mss h ASP 201 CO -0.31 -0.48 -0.21 0.58 -2.04 0.00 0.00 179.24 176.78 1mss h VAL 202 N -0.62 0.46 -1.00 4.15 2.07 -1.83 -1.36 116.25 118.13 1mss h VAL 202 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1mss h VAL 202 Cb 0.66 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1mss h VAL 202 CO -0.30 0.00 0.63 0.00 0.02 0.00 0.00 177.57 177.92 1mss h ALA 203 N 0.78 1.52 -0.76 1.67 0.00 -0.51 0.12 119.26 122.08 1mss h ALA 203 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1mss h ALA 203 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1mss h ALA 203 CO -0.32 0.25 0.27 0.78 0.00 0.00 0.00 179.25 180.23 1mss h GLY 204 N 1.01 1.25 1.10 0.00 0.00 0.21 -3.09 103.07 103.56 1mss h GLY 204 Ca 0.49 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1mss h GLY 204 CO -0.25 0.66 -0.80 0.83 0.00 0.00 0.00 176.54 176.99 1mss h GLU 205 N 1.12 0.00 -6.66 4.80 5.08 -0.61 -3.43 114.58 114.89 1mss h GLU 205 Ca 0.25 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.09 1mss h GLU 205 Cb 0.26 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.57 1mss h GLU 205 CO -0.01 0.00 0.99 -1.17 -1.00 0.00 0.00 179.01 177.82 1mss s LEU 206 N -4.89 4.37 -0.14 1.33 2.96 0.36 -4.86 118.68 117.80 1mss s LEU 206 Ca 0.03 2.85 -0.16 0.00 -0.22 0.00 0.00 54.13 56.63 1mss s LEU 206 Cb 0.11 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 1mss s LEU 206 CO 0.76 -0.96 0.39 -0.13 -1.32 0.00 0.00 176.35 175.09 1mss s ARG 207 N 1.06 4.30 -0.23 1.98 3.00 -1.26 -4.92 118.95 122.88 1mss s ARG 207 Ca 0.74 0.29 0.01 0.00 0.00 0.00 0.00 55.73 56.76 1mss s ARG 207 Cb -0.49 -3.43 0.06 0.00 0.00 0.00 0.00 34.95 31.08 1mss s ARG 207 CO 0.33 0.19 -0.06 0.42 0.00 0.00 0.00 175.30 176.17 1mss s ILE 208 N 0.58 1.58 -0.07 1.52 1.01 -1.25 -1.17 121.20 123.39 1mss s ILE 208 Ca 0.22 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 1mss s ILE 208 Cb -0.14 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1mss s ILE 208 CO 0.07 -0.06 0.28 -0.76 0.00 0.00 0.00 174.94 174.47 1mss s LEU 209 N 1.38 4.41 -0.28 2.97 1.43 0.23 -0.78 118.68 128.04 1mss s LEU 209 Ca -0.05 0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 53.49 1mss s LEU 209 Cb -0.19 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1mss s LEU 209 CO -0.06 0.34 0.88 -0.47 0.23 0.00 0.00 176.35 177.27 1mss s TYR 210 N -0.90 3.23 -0.52 0.29 5.04 -1.03 0.68 117.35 124.15 1mss s TYR 210 Ca 0.19 1.04 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1mss s TYR 210 Cb -0.14 -3.27 0.42 0.00 0.35 0.00 0.00 41.96 39.32 1mss s TYR 210 CO 0.08 -0.55 1.49 0.41 -1.34 0.00 0.00 175.55 175.64 1mss n GLY 211 N 3.93 6.01 2.04 8.97 0.00 0.22 -2.17 105.19 124.19 1mss n GLY 211 Ca 0.07 -2.60 -0.18 0.00 0.00 0.00 0.00 46.02 43.31 1mss n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mss n GLY 212 N -0.64 3.83 3.68 -0.02 0.00 -1.26 -4.42 105.19 106.35 1mss n GLY 212 Ca 0.48 -2.29 -0.49 0.00 0.00 0.00 0.00 46.02 43.72 1mss n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mss n SER 213 N -1.21 3.11 -3.84 1.61 2.88 -1.26 -4.91 113.62 110.01 1mss n SER 213 Ca -0.11 1.02 -0.11 0.00 -1.33 0.00 0.00 58.87 58.34 1mss n SER 213 Cb 0.36 -1.34 -0.09 0.00 -0.75 0.00 0.00 64.21 62.40 1mss n SER 213 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1mss s VAL 214 N 3.14 0.10 0.00 2.46 0.11 -1.26 -5.05 120.40 119.90 1mss s VAL 214 Ca 0.90 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1mss s VAL 214 Cb -0.76 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1mss s VAL 214 CO 0.51 -0.45 0.00 -0.46 -3.33 0.00 0.00 175.10 171.37 1mss n ASN 215 N 0.86 0.00 0.23 3.54 0.23 -1.26 -4.82 115.26 114.03 1mss n ASN 215 Ca -0.20 -0.71 0.15 0.00 -0.53 0.00 0.00 54.58 53.29 1mss n ASN 215 Cb 0.58 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.77 1mss n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1mss h GLY 216 N 0.00 0.00 1.06 4.83 0.00 -1.93 -1.55 103.07 105.47 1mss h GLY 216 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1mss h GLY 216 CO 0.00 0.00 -1.66 0.50 0.00 0.00 0.00 176.54 175.38 1mss h LYS 217 N 0.00 0.07 0.00 4.80 1.57 -1.98 -3.39 116.57 117.63 1mss h LYS 217 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1mss h LYS 217 Cb 0.65 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1mss h LYS 217 CO 0.00 0.71 -1.15 0.27 -0.57 0.00 0.00 179.45 178.71 1mss n ASN 218 N -3.18 1.02 -0.07 0.86 6.94 -1.22 -4.63 115.26 114.98 1mss n ASN 218 Ca -0.17 -0.49 -0.08 0.00 -0.02 0.00 0.00 54.58 53.82 1mss n ASN 218 Cb 1.04 1.31 -0.01 0.00 -2.36 0.00 0.00 39.78 39.76 1mss n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mss h ALA 219 N 1.84 -0.12 -0.58 -2.53 0.00 -1.47 -0.29 119.26 116.10 1mss h ALA 219 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1mss h ALA 219 Cb 0.51 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1mss h ALA 219 CO 0.00 -0.67 0.34 -0.09 0.00 0.00 0.00 179.25 178.83 1mss h ARG 220 N -0.24 0.63 -0.17 0.00 9.65 -1.82 0.31 114.38 122.74 1mss h ARG 220 Ca 0.15 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.00 1mss h ARG 220 Cb 0.48 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1mss h ARG 220 CO -0.43 0.42 0.08 1.15 2.80 0.00 0.00 179.97 184.00 1mss h THR 221 N 0.65 1.00 -0.22 0.20 2.02 -1.70 0.14 112.91 114.99 1mss h THR 221 Ca 0.24 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.39 1mss h THR 221 Cb 0.08 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1mss h THR 221 CO -0.13 0.03 0.05 -0.07 0.37 0.00 0.00 175.52 175.77 1mss h LEU 222 N 0.18 0.02 -2.11 2.58 3.38 -0.66 -0.63 115.31 118.06 1mss h LEU 222 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1mss h LEU 222 Cb 0.01 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1mss h LEU 222 CO -0.05 0.04 -0.01 0.22 0.09 0.00 0.00 178.44 178.74 1mss h TYR 223 N 0.14 0.00 0.00 1.13 3.20 -0.60 -1.90 116.97 118.93 1mss h TYR 223 Ca 0.10 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1mss h TYR 223 Cb 0.10 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1mss h TYR 223 CO -0.15 0.01 -0.18 0.37 -1.64 0.00 0.00 178.16 176.57 1mss h GLN 224 N 0.00 0.00 -7.01 1.82 5.75 0.90 -3.44 115.11 113.13 1mss h GLN 224 Ca -0.00 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.94 1mss h GLN 224 Cb 0.29 0.00 0.15 0.00 1.07 0.00 0.00 27.48 29.00 1mss h GLN 224 CO 0.00 0.18 0.47 1.04 -2.65 0.00 0.00 178.83 177.87 1mss n GLN 225 N -4.06 1.32 0.15 1.69 1.13 -0.72 -4.92 117.38 111.98 1mss n GLN 225 Ca -0.02 0.50 0.13 0.00 -1.94 0.00 0.00 57.00 55.67 1mss n GLN 225 Cb 0.26 -2.47 0.39 0.00 0.11 0.00 0.00 30.24 28.53 1mss n GLN 225 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1mss h ARG 226 N 0.92 0.00 -0.23 -1.09 0.11 -1.89 -3.23 114.38 108.98 1mss h ARG 226 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1mss h ARG 226 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1mss h ARG 226 CO 0.54 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.36 1mss n ASP 227 N -2.54 2.79 -4.55 0.08 8.00 -1.26 -4.95 116.55 114.12 1mss n ASP 227 Ca 0.04 -2.19 -0.38 0.00 0.71 0.00 0.00 54.79 52.97 1mss n ASP 227 Cb 0.41 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 41.17 1mss n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1mss s VAL 228 N -1.33 5.08 -0.77 2.53 1.01 -1.22 -4.67 120.40 121.02 1mss s VAL 228 Ca 0.20 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1mss s VAL 228 Cb 0.13 -3.43 0.21 0.00 0.00 0.00 0.00 36.38 33.28 1mss s VAL 228 CO 0.10 0.24 1.13 0.59 0.00 0.00 0.00 175.10 177.17 1mss n ASN 229 N 5.03 2.56 0.00 3.32 4.13 0.04 -4.85 115.26 125.50 1mss n ASN 229 Ca -0.14 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.22 1mss n ASN 229 Cb 0.52 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1mss n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mss n GLY 230 N 0.31 -0.47 3.19 7.41 0.00 -1.25 -2.02 105.19 112.36 1mss n GLY 230 Ca 0.08 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1mss n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mss s PHE 231 N -3.27 -0.05 -0.66 1.61 0.08 -0.44 -2.48 117.98 112.77 1mss s PHE 231 Ca 0.00 -0.00 0.05 0.00 0.12 0.00 0.00 56.93 57.09 1mss s PHE 231 Cb 0.00 0.02 0.17 0.00 -0.57 0.00 0.00 43.02 42.65 1mss s PHE 231 CO 0.00 -0.38 0.48 -0.11 -0.10 0.00 0.00 175.22 175.11 1mss n LEU 232 N 1.13 2.49 -4.69 -0.37 7.94 -0.92 -0.56 117.00 122.02 1mss n LEU 232 Ca -0.21 -5.09 -0.42 0.00 -1.11 0.00 0.00 56.01 49.18 1mss n LEU 232 Cb 0.57 -0.55 -0.03 0.00 0.53 0.00 0.00 43.42 43.94 1mss n LEU 232 CO 0.22 1.78 0.75 -0.69 -1.11 0.00 0.00 177.39 178.34 1mss s VAL 233 N -1.26 4.81 0.35 1.96 1.01 0.47 -4.56 120.40 123.18 1mss s VAL 233 Ca 0.27 2.02 -0.09 0.00 0.00 0.00 0.00 61.98 64.18 1mss s VAL 233 Cb -0.02 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1mss s VAL 233 CO -0.17 0.04 0.60 -0.83 0.00 0.00 0.00 175.10 174.74 1mss s GLY 234 N 1.08 0.95 0.00 4.51 0.00 -1.26 0.11 107.32 112.71 1mss s GLY 234 Ca 0.48 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1mss s GLY 234 CO 0.20 -0.68 0.00 0.61 0.00 0.00 0.00 173.10 173.22 1mss n GLY 235 N -0.54 2.51 0.19 0.20 0.00 -1.26 -2.53 105.19 103.76 1mss n GLY 235 Ca -0.03 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.65 1mss n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mss h ALA 236 N -0.73 1.12 0.00 4.61 0.00 -2.00 -2.79 119.26 119.48 1mss h ALA 236 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1mss h ALA 236 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mss h ALA 236 CO 0.00 0.48 0.00 0.43 0.00 0.00 0.00 179.25 180.16 1mss n SER 237 N -3.73 0.04 -4.50 0.00 7.64 -1.05 -4.32 113.62 107.69 1mss n SER 237 Ca -0.01 0.51 -0.43 0.00 1.01 0.00 0.00 58.87 59.95 1mss n SER 237 Cb 0.47 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 1mss n SER 237 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1mss s LEU 238 N -3.10 4.42 0.43 -3.43 0.20 -1.05 -4.78 118.68 111.36 1mss s LEU 238 Ca 0.04 -2.11 0.04 0.00 0.69 0.00 0.00 54.13 52.79 1mss s LEU 238 Cb 0.06 -2.48 -0.05 0.00 -0.43 0.00 0.00 46.19 43.30 1mss s LEU 238 CO 0.18 -1.15 0.04 -0.54 -0.29 0.00 0.00 176.35 174.59 1mss s LYS 239 N 3.37 1.97 0.49 1.98 1.02 -1.26 -4.97 119.74 122.34 1mss s LYS 239 Ca 0.42 -2.18 0.33 0.00 0.02 0.00 0.00 55.97 54.55 1mss s LYS 239 Cb -0.02 -1.28 1.77 0.00 -0.52 0.00 0.00 37.83 37.78 1mss s LYS 239 CO -0.05 -0.25 2.00 -1.35 -0.92 0.00 0.00 175.35 174.78 1mss h PRO 240 N 1.70 0.00 0.00 -1.68 0.11 -1.98 -1.02 132.00 129.13 1mss h PRO 240 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1mss h PRO 240 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1mss h PRO 240 CO 0.73 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.67 1mss n GLU 241 N -2.65 0.66 0.13 1.05 0.28 -1.26 -3.05 120.64 115.80 1mss n GLU 241 Ca -0.02 0.00 0.19 0.00 -0.16 0.00 0.00 57.16 57.17 1mss n GLU 241 Cb 0.06 -1.34 0.77 0.00 1.43 0.00 0.00 31.44 32.35 1mss n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1mss h PHE 242 N 0.00 0.00 -0.75 -1.84 3.57 -1.51 0.35 116.94 116.77 1mss h PHE 242 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1mss h PHE 242 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1mss h PHE 242 CO 0.00 0.00 0.43 0.28 -2.23 0.00 0.00 178.31 176.79 1mss h VAL 243 N 0.00 1.22 -0.59 1.41 2.07 -1.81 -2.00 116.25 116.54 1mss h VAL 243 Ca 0.16 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1mss h VAL 243 Cb 0.92 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1mss h VAL 243 CO -0.00 0.24 0.19 0.44 0.02 0.00 0.00 177.57 178.46 1mss h ASP 244 N 1.03 0.82 -0.87 0.57 3.32 -0.57 -2.48 116.42 118.24 1mss h ASP 244 Ca 0.26 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1mss h ASP 244 Cb 0.01 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1mss h ASP 244 CO -0.05 0.77 0.48 0.40 -1.72 0.00 0.00 179.24 179.12 1mss h ILE 245 N 0.87 1.25 -0.73 0.35 2.04 -1.21 -1.88 117.51 118.19 1mss h ILE 245 Ca 0.20 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1mss h ILE 245 Cb 0.24 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1mss h ILE 245 CO -0.01 0.28 0.48 0.40 0.00 0.00 0.00 178.15 179.30 1mss h ILE 246 N 1.21 1.19 -0.12 -0.67 2.04 -0.95 -2.35 117.51 117.87 1mss h ILE 246 Ca 0.31 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1mss h ILE 246 Cb 0.02 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1mss h ILE 246 CO -0.05 0.19 -0.31 0.11 0.00 0.00 0.00 178.15 178.09 1mss h LYS 247 N 1.00 0.23 0.00 2.37 1.79 -1.22 -2.47 116.57 118.26 1mss h LYS 247 Ca 0.27 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1mss h LYS 247 Cb -0.10 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1mss h LYS 247 CO -0.06 0.52 0.00 0.00 -1.08 0.00 0.00 179.45 178.84 1mss n ALA 248 N -2.48 1.13 0.83 3.86 0.00 -0.75 -0.62 120.51 122.48 1mss n ALA 248 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1mss n ALA 248 Cb 0.40 -1.06 0.28 0.00 0.00 0.00 0.00 19.45 19.06 1mss n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mss n THR 249 N -1.54 0.28 0.33 0.00 -2.24 -0.93 -4.62 114.28 105.55 1mss n THR 249 Ca 0.01 -0.53 0.03 0.00 -2.27 0.00 0.00 64.05 61.28 1mss n THR 249 Cb 0.03 0.82 0.16 0.00 -2.10 0.00 0.00 70.33 69.24 1mss n THR 249 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17