#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grk s PHE 9 N 0.00 3.63 -0.02 7.33 0.40 -1.26 -2.35 117.98 125.71 2grk s PHE 9 Ca 0.00 1.21 -0.14 0.00 -0.60 0.00 0.00 56.93 57.40 2grk s PHE 9 Cb 0.00 -2.48 0.02 0.00 0.51 0.00 0.00 43.02 41.07 2grk s PHE 9 CO 0.00 0.40 0.30 0.00 0.70 0.00 0.00 175.22 176.62 2grk s ALA 10 N -1.47 -0.76 -0.23 5.36 0.00 -1.19 -4.95 121.76 118.50 2grk s ALA 10 Ca 0.40 0.36 0.14 0.00 0.00 0.00 0.00 51.96 52.85 2grk s ALA 10 Cb -0.16 0.02 0.73 0.00 0.00 0.00 0.00 23.12 23.72 2grk s ALA 10 CO 0.20 -0.25 1.66 -1.13 0.00 0.00 0.00 175.76 176.24 2grk n SER 11 N 1.42 5.12 -3.66 0.00 3.41 -1.26 -2.58 113.62 116.08 2grk n SER 11 Ca -0.21 -3.00 -0.09 0.00 -0.26 0.00 0.00 58.87 55.31 2grk n SER 11 Cb 0.56 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 2grk n SER 11 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2grk s SER 12 N -1.16 0.05 -0.31 4.04 1.04 -1.24 -4.03 113.70 112.07 2grk s SER 12 Ca 0.51 -0.98 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 2grk s SER 12 Cb 0.40 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 67.17 2grk s SER 12 CO 0.14 -1.31 0.24 0.00 0.98 0.00 0.00 173.24 173.28 2grk s THR 14 N 1.78 2.37 -0.39 0.00 -4.23 -1.26 -5.10 115.64 108.81 2grk s THR 14 Ca 0.07 -2.06 -0.22 0.00 -1.18 0.00 0.00 61.69 58.30 2grk s THR 14 Cb -0.17 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 70.92 2grk s THR 14 CO 0.11 -0.17 0.73 -1.83 -0.54 0.00 0.00 174.62 172.92 2grk s GLU 15 N -3.68 3.58 -0.28 3.99 -1.05 -1.26 -5.02 118.70 114.98 2grk s GLU 15 Ca 0.34 0.05 -0.18 0.00 -0.15 0.00 0.00 54.97 55.03 2grk s GLU 15 Cb 0.02 -3.86 0.10 0.00 -0.44 0.00 0.00 34.13 29.96 2grk s GLU 15 CO 0.18 -0.91 0.83 -1.21 0.95 0.00 0.00 175.26 175.10 2grk s GLU 16 N 3.01 0.60 0.48 -4.83 2.02 -1.26 -5.16 118.70 113.57 2grk s GLU 16 Ca 0.28 0.94 -0.18 0.00 0.02 0.00 0.00 54.97 56.03 2grk s GLU 16 Cb -0.13 0.17 -0.09 0.00 0.10 0.00 0.00 34.13 34.18 2grk s GLU 16 CO 0.18 -0.11 0.98 -1.83 0.02 0.00 0.00 175.26 174.50 2grk s GLU 17 N 1.19 4.03 -1.53 1.61 -1.05 -1.26 -3.68 118.70 118.01 2grk s GLU 17 Ca -0.07 1.04 -0.14 0.00 -0.15 0.00 0.00 54.97 55.65 2grk s GLU 17 Cb -0.05 -2.15 0.10 0.00 -0.44 0.00 0.00 34.13 31.60 2grk s GLU 17 CO -0.14 -0.20 0.80 -1.71 0.95 0.00 0.00 175.26 174.97 2grk n ASN 18 N -1.21 -4.17 -3.36 0.83 5.15 -1.26 -4.91 115.26 106.34 2grk n ASN 18 Ca 0.07 -0.74 -0.18 0.00 -0.60 0.00 0.00 54.58 53.13 2grk n ASN 18 Cb 0.54 -3.38 -0.08 0.00 -0.53 0.00 0.00 39.78 36.34 2grk n ASN 18 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2grk s ASN 19 N -3.14 1.25 -0.08 1.20 3.84 -1.24 -3.81 114.94 112.96 2grk s ASN 19 Ca 0.62 -1.68 0.01 0.00 0.21 0.00 0.00 52.86 52.03 2grk s ASN 19 Cb -0.32 0.49 -0.03 0.00 -0.55 0.00 0.00 41.25 40.84 2grk s ASN 19 CO 0.77 -0.25 -0.10 -1.00 -2.79 0.00 0.00 177.10 173.73 2grk s HIS 20 N 1.34 2.86 -1.02 0.43 3.76 0.13 -4.79 115.29 117.99 2grk s HIS 20 Ca 0.18 -0.14 -0.16 0.00 -0.15 0.00 0.00 55.06 54.79 2grk s HIS 20 Cb -0.15 -1.73 0.17 0.00 1.11 0.00 0.00 32.58 31.98 2grk s HIS 20 CO -0.02 0.19 1.18 -1.01 -0.85 0.00 0.00 174.74 174.23 2grk s HIS 21 N -0.53 3.44 0.22 1.40 3.76 -1.26 0.11 115.29 122.42 2grk s HIS 21 Ca 0.08 -1.84 -0.30 0.00 -0.15 0.00 0.00 55.06 52.85 2grk s HIS 21 Cb -0.12 -4.19 -0.08 0.00 1.11 0.00 0.00 32.58 29.30 2grk s HIS 21 CO 0.02 -1.34 0.98 -1.64 -0.85 0.00 0.00 174.74 171.91 2grk s MET 22 N 1.63 4.77 0.25 1.40 -1.94 -1.26 -0.83 119.30 123.32 2grk s MET 22 Ca 0.34 1.55 0.02 0.00 -1.71 0.00 0.00 55.69 55.89 2grk s MET 22 Cb -0.05 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 2grk s MET 22 CO -0.06 0.38 0.17 0.20 -0.01 0.00 0.00 175.02 175.69 2grk s GLY 23 N -0.83 1.77 0.01 -0.03 0.00 -0.32 -4.84 107.32 103.08 2grk s GLY 23 Ca 0.43 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 43.36 2grk s GLY 23 CO 0.33 -1.45 -0.06 -1.50 0.00 0.00 0.00 173.10 170.42 2grk s ILE 24 N -3.88 0.46 -0.13 0.90 2.07 -1.26 -2.57 121.20 116.79 2grk s ILE 24 Ca 0.39 -0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 2grk s ILE 24 Cb 0.06 -0.43 0.05 0.00 0.13 0.00 0.00 42.46 42.26 2grk s ILE 24 CO 0.17 -0.01 0.07 -0.62 -1.91 0.00 0.00 174.94 172.64 2grk s ASP 25 N -0.51 2.00 -0.19 4.50 -1.08 -0.63 0.24 116.67 121.01 2grk s ASP 25 Ca -0.01 -0.40 -0.05 0.00 -0.52 0.00 0.00 52.55 51.57 2grk s ASP 25 Cb -0.04 -0.26 -0.03 0.00 -1.46 0.00 0.00 42.92 41.13 2grk s ASP 25 CO -0.00 -0.31 0.01 -0.69 0.52 0.00 0.00 175.17 174.70 2grk s VAL 26 N 2.11 4.11 -0.01 1.11 1.01 0.92 -2.33 120.40 127.32 2grk s VAL 26 Ca 0.03 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2grk s VAL 26 Cb -0.15 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2grk s VAL 26 CO -0.07 0.44 -0.24 -0.63 0.00 0.00 0.00 175.10 174.61 2grk s ILE 27 N 0.76 2.25 -0.13 2.22 1.01 -1.02 0.54 121.20 126.83 2grk s ILE 27 Ca 0.01 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 2grk s ILE 27 Cb -0.14 -1.82 0.04 0.00 0.01 0.00 0.00 42.46 40.55 2grk s ILE 27 CO 0.02 0.52 0.33 -0.51 0.00 0.00 0.00 174.94 175.31 2grk s ILE 28 N -0.69 -0.01 -0.19 2.92 2.07 -0.04 -2.41 121.20 122.86 2grk s ILE 28 Ca 0.11 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2grk s ILE 28 Cb -0.10 -0.48 0.04 0.00 0.13 0.00 0.00 42.46 42.05 2grk s ILE 28 CO 0.00 0.02 -0.09 -0.75 -1.91 0.00 0.00 174.94 172.21 2grk s LYS 29 N 0.68 1.87 -0.16 3.50 2.20 -0.48 -1.18 119.74 126.18 2grk s LYS 29 Ca -0.04 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.80 2grk s LYS 29 Cb -0.05 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 33.96 2grk s LYS 29 CO -0.04 -0.42 -0.02 0.08 -0.36 0.00 0.00 175.35 174.59 2grk s VAL 30 N 1.47 4.03 -0.44 4.02 1.01 0.21 -1.38 120.40 129.33 2grk s VAL 30 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2grk s VAL 30 Cb -0.16 -2.77 0.09 0.00 0.00 0.00 0.00 36.38 33.54 2grk s VAL 30 CO -0.08 0.49 0.30 -0.89 0.00 0.00 0.00 175.10 174.92 2grk s THR 31 N 0.33 4.38 0.83 3.92 2.01 -0.57 -0.64 115.64 125.91 2grk s THR 31 Ca -0.03 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.44 2grk s THR 31 Cb -0.14 -3.71 0.09 0.00 0.01 0.00 0.00 72.50 68.75 2grk s THR 31 CO 0.03 -0.57 1.10 -0.54 -0.69 0.00 0.00 174.62 173.94 2grk s LYS 32 N 1.45 1.79 0.44 4.92 1.02 0.21 -1.04 119.74 128.53 2grk s LYS 32 Ca 0.04 1.20 -0.23 0.00 0.02 0.00 0.00 55.97 57.00 2grk s LYS 32 Cb -0.24 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 2grk s LYS 32 CO 0.02 -1.98 1.14 -0.65 -0.92 0.00 0.00 175.35 172.95 2grk s GLN 33 N -4.84 3.89 0.14 1.68 -1.52 0.15 -4.56 119.66 114.60 2grk s GLN 33 Ca 0.63 1.71 -0.20 0.00 -1.95 0.00 0.00 55.36 55.55 2grk s GLN 33 Cb -0.19 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 2grk s GLN 33 CO 0.57 -0.42 1.68 -0.44 -0.25 0.00 0.00 175.29 176.42 2grk h ASP 34 N 2.22 -0.39 0.00 5.90 3.32 -1.93 -2.04 116.42 123.51 2grk h ASP 34 Ca -0.49 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2grk h ASP 34 Cb 1.24 0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2grk h ASP 34 CO 0.61 -0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 2grk n GLN 35 N -5.28 0.26 -4.32 3.56 0.00 -1.26 -4.71 117.38 105.63 2grk n GLN 35 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 57.00 56.64 2grk n GLN 35 Cb 0.19 -1.21 -0.09 0.00 0.00 0.00 0.00 30.24 29.13 2grk n GLN 35 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2grk s THR 36 N -0.39 4.35 0.58 -0.39 -4.23 -0.77 -5.06 115.64 109.74 2grk s THR 36 Ca 0.00 -0.31 -0.20 0.00 -1.18 0.00 0.00 61.69 60.00 2grk s THR 36 Cb 0.00 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 2grk s THR 36 CO 0.00 0.55 1.29 -2.65 -0.54 0.00 0.00 174.62 173.27 2grk n PRO 37 N 1.93 1.43 -2.02 3.99 -0.02 -1.26 -4.94 135.00 134.11 2grk n PRO 37 Ca -0.17 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.44 2grk n PRO 37 Cb 0.53 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 2grk n PRO 37 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2grk s THR 38 N -1.34 2.53 -0.31 3.45 2.01 -1.26 -4.94 115.64 115.78 2grk s THR 38 Ca 0.75 0.49 -0.08 0.00 0.31 0.00 0.00 61.69 63.17 2grk s THR 38 Cb -0.41 -3.30 0.19 0.00 0.01 0.00 0.00 72.50 68.99 2grk s THR 38 CO 0.47 0.09 0.98 0.21 -0.69 0.00 0.00 174.62 175.67 2grk s ASN 39 N -0.61 -0.58 0.00 3.53 3.84 -1.26 -4.94 114.94 114.91 2grk s ASN 39 Ca 0.55 -0.06 0.18 0.00 0.21 0.00 0.00 52.86 53.74 2grk s ASN 39 Cb -0.40 1.13 0.35 0.00 -0.55 0.00 0.00 41.25 41.78 2grk s ASN 39 CO 0.52 -0.09 1.27 0.47 -2.79 0.00 0.00 177.10 176.48 2grk n ASP 40 N 4.66 3.10 -4.57 -4.21 8.00 -1.26 -3.57 116.55 118.70 2grk n ASP 40 Ca 0.08 -1.90 -0.30 0.00 0.71 0.00 0.00 54.79 53.39 2grk n ASP 40 Cb 0.59 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 2grk n ASP 40 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2grk s LYS 41 N -1.25 2.70 0.53 -1.24 1.02 -1.26 -4.65 119.74 115.58 2grk s LYS 41 Ca 0.31 -0.94 -0.10 0.00 0.02 0.00 0.00 55.97 55.25 2grk s LYS 41 Cb 0.18 -5.21 -0.05 0.00 -0.52 0.00 0.00 37.83 32.23 2grk s LYS 41 CO 0.25 -3.54 0.92 0.96 -0.92 0.00 0.00 175.35 173.01 2grk s ILE 42 N 9.81 4.74 -1.31 2.17 -4.36 -1.26 -2.01 121.20 128.98 2grk s ILE 42 Ca 0.66 0.73 -0.09 0.00 -0.26 0.00 0.00 60.65 61.70 2grk s ILE 42 Cb -0.02 -3.82 0.01 0.00 1.25 0.00 0.00 42.46 39.88 2grk s ILE 42 CO 0.07 -0.88 1.14 0.00 0.24 0.00 0.00 174.94 175.51 2grk h GLN 44 N -2.61 0.68 -1.51 0.00 4.20 -0.64 0.21 115.11 115.44 2grk h GLN 44 Ca -0.55 -0.19 0.09 0.00 0.06 0.00 0.00 58.65 58.06 2grk h GLN 44 Cb 1.36 -0.07 -0.24 0.00 0.30 0.00 0.00 27.48 28.82 2grk h GLN 44 CO 0.54 0.74 0.58 -1.54 -0.67 0.00 0.00 178.83 178.48 2grk s SER 45 N -6.70 -0.34 -0.11 1.46 1.04 -0.97 -4.53 113.70 103.54 2grk s SER 45 Ca -0.09 0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 2grk s SER 45 Cb 0.15 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2grk s SER 45 CO 0.80 -0.29 0.12 -0.69 0.98 0.00 0.00 173.24 174.16 2grk s VAL 46 N -0.95 -0.18 0.11 5.02 1.01 -1.25 -0.42 120.40 123.73 2grk s VAL 46 Ca -0.00 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.26 2grk s VAL 46 Cb -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2grk s VAL 46 CO -0.00 -0.00 -0.26 0.42 0.00 0.00 0.00 175.10 175.25 2grk s THR 47 N 2.22 2.27 0.06 3.92 -4.23 -0.85 -0.96 115.64 118.06 2grk s THR 47 Ca 0.04 -1.66 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 2grk s THR 47 Cb -0.14 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 2grk s THR 47 CO -0.07 0.16 -0.19 -0.70 -0.54 0.00 0.00 174.62 173.28 2grk s GLU 48 N -1.87 1.99 -0.28 3.99 2.12 -1.26 -2.18 118.70 121.21 2grk s GLU 48 Ca 0.14 -1.03 -0.22 0.00 0.36 0.00 0.00 54.97 54.22 2grk s GLU 48 Cb -0.10 -2.15 0.09 0.00 0.26 0.00 0.00 34.13 32.23 2grk s GLU 48 CO 0.05 0.53 0.81 0.54 -0.54 0.00 0.00 175.26 176.65 2grk s VAL 49 N -0.95 0.00 -0.20 3.70 0.11 -0.93 -4.99 120.40 117.14 2grk s VAL 49 Ca 0.15 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 2grk s VAL 49 Cb -0.10 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2grk s VAL 49 CO 0.06 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.81 2grk s THR 50 N 0.79 1.80 -0.12 5.04 2.01 -1.26 0.86 115.64 124.76 2grk s THR 50 Ca -0.03 -1.04 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 2grk s THR 50 Cb -0.05 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.70 2grk s THR 50 CO -0.08 0.26 0.32 -1.61 -0.69 0.00 0.00 174.62 172.81 2grk s GLU 51 N 1.34 0.36 -0.53 4.92 2.02 -0.57 -4.89 118.70 121.36 2grk s GLU 51 Ca -0.00 0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.46 2grk s GLU 51 Cb -0.16 0.16 0.49 0.00 0.10 0.00 0.00 34.13 34.73 2grk s GLU 51 CO -0.09 -0.05 1.82 -1.13 0.02 0.00 0.00 175.26 175.83 2grk n SER 52 N 3.03 6.09 -1.03 -0.19 3.41 -1.26 -2.56 113.62 121.12 2grk n SER 52 Ca -0.14 -3.75 -0.13 0.00 -0.26 0.00 0.00 58.87 54.58 2grk n SER 52 Cb 0.57 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 2grk n SER 52 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2grk n GLU 53 N -0.94 -1.35 0.25 4.33 1.02 -1.26 -4.40 120.64 118.29 2grk n GLU 53 Ca 0.57 0.95 0.15 0.00 -0.02 0.00 0.00 57.16 58.81 2grk n GLU 53 Cb 0.92 -5.21 0.52 0.00 -0.02 0.00 0.00 31.44 27.65 2grk n GLU 53 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2grk h ASP 54 N 0.00 0.00 -3.43 1.62 2.03 -1.86 -3.43 116.42 111.35 2grk h ASP 54 Ca -0.27 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.57 2grk h ASP 54 Cb 1.08 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 39.65 2grk h ASP 54 CO 0.40 0.04 0.16 -1.81 -1.03 0.00 0.00 179.24 177.00 2grk s ASP 55 N -5.90 4.95 0.00 4.15 1.01 -1.26 -4.86 116.67 114.77 2grk s ASP 55 Ca 0.03 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.62 2grk s ASP 55 Cb 0.08 -1.05 0.00 0.00 1.01 0.00 0.00 42.92 42.96 2grk s ASP 55 CO 0.59 -1.47 0.00 0.61 0.21 0.00 0.00 175.17 175.11 2grk n GLY 56 N -2.76 0.00 3.19 0.21 0.00 -1.26 -2.48 105.19 102.08 2grk n GLY 56 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2grk n GLY 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2grk n VAL 57 N 0.00 0.00 -3.54 1.61 0.31 -1.26 -4.91 118.33 110.53 2grk n VAL 57 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 2grk n VAL 57 Cb 0.00 -0.02 -0.10 0.00 -0.91 0.00 0.00 33.84 32.81 2grk n VAL 57 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2grk n SER 58 N 0.00 1.65 -4.85 4.52 3.41 -1.04 -5.09 113.62 112.23 2grk n SER 58 Ca 0.00 -2.92 -0.37 0.00 -0.26 0.00 0.00 58.87 55.32 2grk n SER 58 Cb 0.00 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 2grk n SER 58 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2grk s GLU 59 N -1.15 3.53 0.06 4.33 2.56 -1.26 -4.56 118.70 122.21 2grk s GLU 59 Ca 0.32 -0.16 -0.08 0.00 0.00 0.00 0.00 54.97 55.05 2grk s GLU 59 Cb 0.05 -3.21 -0.00 0.00 2.00 0.00 0.00 34.13 32.97 2grk s GLU 59 CO -0.14 0.70 0.17 -1.21 -0.56 0.00 0.00 175.26 174.22 2grk s GLU 60 N -0.81 0.74 0.05 4.30 0.41 -1.26 -5.05 118.70 117.07 2grk s GLU 60 Ca 0.14 -0.82 -0.22 0.00 -0.41 0.00 0.00 54.97 53.66 2grk s GLU 60 Cb -0.12 0.30 -0.14 0.00 -1.78 0.00 0.00 34.13 32.39 2grk s GLU 60 CO 0.03 -0.22 1.52 0.28 -0.49 0.00 0.00 175.26 176.38 2grk h VAL 61 N 3.16 1.21 -3.67 2.63 2.07 -2.06 -3.40 116.25 116.20 2grk h VAL 61 Ca -0.33 -0.67 -0.69 0.00 0.82 0.00 0.00 66.70 65.84 2grk h VAL 61 Cb 1.19 1.48 -0.30 0.00 -1.52 0.00 0.00 31.29 32.14 2grk h VAL 61 CO 0.53 0.19 -0.66 -0.69 0.02 0.00 0.00 177.57 176.96 2grk s VAL 62 N -5.17 3.43 0.19 2.57 1.01 -1.26 -5.09 120.40 116.08 2grk s VAL 62 Ca -0.14 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 2grk s VAL 62 Cb 0.05 -2.90 -0.08 0.00 0.00 0.00 0.00 36.38 33.45 2grk s VAL 62 CO 0.69 -0.07 1.00 -0.54 0.00 0.00 0.00 175.10 176.18 2grk s LYS 63 N 1.36 4.73 0.97 2.72 1.02 -1.26 -5.05 119.74 124.23 2grk s LYS 63 Ca -0.02 1.56 -0.16 0.00 0.02 0.00 0.00 55.97 57.37 2grk s LYS 63 Cb -0.19 -3.30 0.21 0.00 -0.52 0.00 0.00 37.83 34.04 2grk s LYS 63 CO 0.01 0.31 1.33 0.20 -0.92 0.00 0.00 175.35 176.27 2grk s GLY 64 N -0.59 1.80 0.31 -3.33 0.00 -1.26 -4.99 107.32 99.26 2grk s GLY 64 Ca 0.45 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 2grk s GLY 64 CO 0.33 -0.49 1.52 1.22 0.00 0.00 0.00 173.10 175.68 2grk n ASP 65 N -3.79 3.59 -4.77 1.64 8.00 -1.26 -4.86 116.55 115.11 2grk n ASP 65 Ca 0.16 1.17 -0.33 0.00 0.71 0.00 0.00 54.79 56.50 2grk n ASP 65 Cb 0.59 -1.57 0.05 0.00 -0.02 0.00 0.00 41.12 40.18 2grk n ASP 65 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2grk s PRO 66 N -0.99 2.72 -0.03 -0.24 0.04 -1.26 -4.63 135.00 130.61 2grk s PRO 66 Ca 0.61 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2grk s PRO 66 Cb -0.52 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.11 2grk s PRO 66 CO 0.53 -1.32 0.04 0.99 0.04 0.00 0.00 177.00 177.29 2grk s THR 67 N -2.33 -0.08 -0.09 1.26 2.01 -1.06 -4.40 115.64 110.95 2grk s THR 67 Ca 0.67 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.76 2grk s THR 67 Cb -0.21 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2grk s THR 67 CO 0.42 0.13 0.62 -0.89 -0.69 0.00 0.00 174.62 174.21 2grk s THR 68 N 1.51 5.10 -0.06 -0.82 2.01 -0.54 -1.51 115.64 121.33 2grk s THR 68 Ca -0.03 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.26 2grk s THR 68 Cb -0.13 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2grk s THR 68 CO -0.03 0.28 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.75 2grk s TYR 69 N 0.76 2.79 -0.12 4.92 1.51 0.25 -0.80 117.35 126.66 2grk s TYR 69 Ca 0.33 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 2grk s TYR 69 Cb -0.17 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2grk s TYR 69 CO 0.15 0.20 -0.22 0.71 -1.11 0.00 0.00 175.55 175.29 2grk s TYR 70 N -0.65 2.53 -0.20 2.71 2.02 -0.29 -2.20 117.35 121.27 2grk s TYR 70 Ca 0.10 -1.18 -0.02 0.00 -0.37 0.00 0.00 57.07 55.60 2grk s TYR 70 Cb -0.11 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 2grk s TYR 70 CO 0.01 -0.52 -0.09 0.99 -1.57 0.00 0.00 175.55 174.37 2grk s THR 71 N 0.66 3.00 -0.30 -0.71 2.01 -0.93 -0.91 115.64 118.46 2grk s THR 71 Ca -0.12 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 2grk s THR 71 Cb -0.16 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.06 2grk s THR 71 CO 0.02 0.47 0.01 -0.69 -0.69 0.00 0.00 174.62 173.74 2grk s VAL 72 N 1.27 3.07 -0.26 3.82 1.01 0.11 -2.01 120.40 127.41 2grk s VAL 72 Ca 0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.58 2grk s VAL 72 Cb -0.14 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2grk s VAL 72 CO -0.04 -0.09 0.17 -0.69 0.00 0.00 0.00 175.10 174.44 2grk s VAL 73 N 1.28 5.31 0.00 2.92 1.01 0.43 -1.04 120.40 130.31 2grk s VAL 73 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2grk s VAL 73 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2grk s VAL 73 CO -0.01 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2grk n GLY 74 N 4.61 1.68 2.41 4.51 0.00 -0.39 -0.05 105.19 117.96 2grk n GLY 74 Ca -0.15 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2grk n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2grk n GLY 75 N -0.56 0.22 2.19 -0.02 0.00 -0.85 -1.29 105.19 104.88 2grk n GLY 75 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2grk n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2grk n GLY 76 N -0.76 0.47 3.06 -0.02 0.00 -1.23 -4.78 105.19 101.93 2grk n GLY 76 Ca -0.21 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2grk n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2grk s LEU 77 N -2.13 1.95 -0.35 0.99 1.43 -0.41 -2.13 118.68 118.04 2grk s LEU 77 Ca 0.00 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2grk s LEU 77 Cb 0.00 0.40 0.09 0.00 0.03 0.00 0.00 46.19 46.71 2grk s LEU 77 CO 0.00 -0.40 0.08 -0.13 0.23 0.00 0.00 176.35 176.14 2grk s ARG 78 N -1.92 2.01 -0.26 1.70 0.52 0.17 -1.26 118.95 119.91 2grk s ARG 78 Ca -0.11 -1.64 -0.11 0.00 -0.52 0.00 0.00 55.73 53.34 2grk s ARG 78 Cb -0.06 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 2grk s ARG 78 CO -0.02 -0.87 0.21 -1.64 0.02 0.00 0.00 175.30 173.00 2grk s MET 79 N 1.11 4.02 -0.12 3.54 -1.94 -0.20 -1.16 119.30 124.55 2grk s MET 79 Ca 0.04 -0.23 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 2grk s MET 79 Cb -0.21 -3.60 -0.01 0.00 2.01 0.00 0.00 34.83 33.02 2grk s MET 79 CO -0.04 -0.08 -0.17 1.21 -0.01 0.00 0.00 175.02 175.93 2grk s ASN 80 N 1.40 3.71 -0.08 3.03 3.84 0.10 0.05 114.94 126.99 2grk s ASN 80 Ca 0.09 -0.41 0.03 0.00 0.21 0.00 0.00 52.86 52.78 2grk s ASN 80 Cb -0.15 -1.55 0.01 0.00 -0.55 0.00 0.00 41.25 39.01 2grk s ASN 80 CO 0.08 0.16 -0.18 -0.36 -2.79 0.00 0.00 177.10 174.01 2grk s PHE 81 N 0.38 2.00 -0.24 0.43 0.40 -0.09 -1.04 117.98 119.83 2grk s PHE 81 Ca -0.13 -0.79 -0.04 0.00 -0.60 0.00 0.00 56.93 55.37 2grk s PHE 81 Cb -0.17 -1.39 -0.00 0.00 0.51 0.00 0.00 43.02 41.98 2grk s PHE 81 CO 0.06 -0.35 -0.03 0.20 0.70 0.00 0.00 175.22 175.81 2grk s GLY 82 N 0.50 1.64 -0.16 4.36 0.00 -0.16 -1.14 107.32 112.35 2grk s GLY 82 Ca -0.17 -1.25 -0.04 0.00 0.00 0.00 0.00 44.72 43.26 2grk s GLY 82 CO 0.06 0.48 -0.02 -1.36 0.00 0.00 0.00 173.10 172.26 2grk s PHE 83 N 1.46 3.06 -0.17 1.90 0.40 0.02 0.44 117.98 125.10 2grk s PHE 83 Ca 0.05 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 2grk s PHE 83 Cb -0.15 -1.99 0.03 0.00 0.51 0.00 0.00 43.02 41.42 2grk s PHE 83 CO -0.03 -0.03 -0.11 0.99 0.70 0.00 0.00 175.22 176.74 2grk s THR 84 N 0.44 1.49 -1.12 0.64 2.01 -0.66 -1.47 115.64 116.96 2grk s THR 84 Ca -0.02 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 2grk s THR 84 Cb -0.14 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2grk s THR 84 CO 0.02 0.30 0.88 0.29 -0.69 0.00 0.00 174.62 175.42 2grk n LYS 85 N 4.77 -2.91 -4.15 4.92 5.02 -1.26 -2.10 118.16 122.44 2grk n LYS 85 Ca -0.15 0.75 -0.13 0.00 -2.02 0.00 0.00 58.31 56.76 2grk n LYS 85 Cb 0.48 -5.39 -0.11 0.00 -0.02 0.00 0.00 35.03 29.99 2grk n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2grk n PRO 87 N 0.55 0.48 -2.05 0.00 -0.02 -1.26 -4.84 135.00 127.86 2grk n PRO 87 Ca -0.16 0.19 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 2grk n PRO 87 Cb 0.58 -1.65 0.03 0.00 -0.02 0.00 0.00 33.50 32.44 2grk n PRO 87 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2grk s GLN 88 N -1.99 3.05 -0.25 -0.52 0.74 -1.26 -4.75 119.66 114.68 2grk s GLN 88 Ca 0.68 1.81 -0.11 0.00 0.05 0.00 0.00 55.36 57.78 2grk s GLN 88 Cb -0.46 -1.96 -0.05 0.00 1.10 0.00 0.00 33.01 31.65 2grk s GLN 88 CO 0.55 -1.14 0.20 0.42 -0.55 0.00 0.00 175.29 174.78 2grk s ILE 89 N -1.61 5.32 -0.04 -2.34 -1.09 -1.26 -3.98 121.20 116.20 2grk s ILE 89 Ca 0.76 0.25 0.01 0.00 -2.23 0.00 0.00 60.65 59.44 2grk s ILE 89 Cb -0.30 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2grk s ILE 89 CO 0.32 0.30 0.04 0.29 -1.23 0.00 0.00 174.94 174.66 2grk n LYS 90 N 4.61 5.39 -4.29 2.79 5.02 -0.28 -4.96 118.16 126.44 2grk n LYS 90 Ca -0.14 -0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.96 2grk n LYS 90 Cb 0.52 -0.64 -0.15 0.00 -0.02 0.00 0.00 35.03 34.74 2grk n LYS 90 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2grk s SER 91 N -1.29 1.01 -0.12 4.39 0.15 -0.84 -4.97 113.70 112.04 2grk s SER 91 Ca 0.00 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 2grk s SER 91 Cb 0.01 -0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.05 2grk s SER 91 CO 0.04 0.03 0.05 -0.63 1.20 0.00 0.00 173.24 173.94 2grk s ILE 92 N 0.33 0.11 0.34 6.45 1.01 -1.26 -1.64 121.20 126.54 2grk s ILE 92 Ca -0.05 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.66 2grk s ILE 92 Cb -0.09 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.78 2grk s ILE 92 CO 0.00 -0.03 -0.03 -0.94 0.00 0.00 0.00 174.94 173.94 2grk s SER 93 N 2.06 3.22 0.29 3.58 1.04 -0.34 -0.82 113.70 122.74 2grk s SER 93 Ca 0.03 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.05 2grk s SER 93 Cb -0.14 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.73 2grk s SER 93 CO -0.06 -0.38 0.58 -0.70 0.98 0.00 0.00 173.24 173.66 2grk s GLU 94 N -3.72 1.76 -0.19 4.02 2.12 -0.06 -1.42 118.70 121.21 2grk s GLU 94 Ca 0.33 -1.29 -0.31 0.00 0.36 0.00 0.00 54.97 54.05 2grk s GLU 94 Cb 0.06 0.52 0.15 0.00 0.26 0.00 0.00 34.13 35.12 2grk s GLU 94 CO 0.15 -0.77 1.15 -1.54 -0.54 0.00 0.00 175.26 173.72 2grk s SER 95 N -3.03 -0.21 0.23 -1.70 1.04 -0.19 0.14 113.70 109.98 2grk s SER 95 Ca 0.20 0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.69 2grk s SER 95 Cb -0.03 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2grk s SER 95 CO 0.11 -0.25 0.33 0.00 0.98 0.00 0.00 173.24 174.41 2grk s ALA 96 N -1.66 0.33 0.00 5.32 0.00 -1.26 -0.58 121.76 123.91 2grk s ALA 96 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2grk s ALA 96 Cb -0.01 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.31 2grk s ALA 96 CO -0.04 -0.74 0.00 -3.47 0.00 0.00 0.00 175.76 171.51 2grk n ASP 97 N -0.33 0.00 0.00 0.00 2.03 -0.99 -5.03 116.55 112.23 2grk n ASP 97 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2grk n ASP 97 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 2grk n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2grk n GLY 98 N -0.38 2.31 0.82 0.27 0.00 -1.26 -2.13 105.19 104.82 2grk n GLY 98 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.71 2grk n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2grk n ASN 99 N 4.82 3.26 -4.80 1.61 3.02 -1.26 -4.89 115.26 117.02 2grk n ASN 99 Ca 0.00 -2.11 -0.33 0.00 -0.03 0.00 0.00 54.58 52.11 2grk n ASN 99 Cb 0.00 -0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 2grk n ASN 99 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2grk s THR 100 N -1.20 4.84 -0.06 3.41 -4.23 -0.91 0.67 115.64 118.16 2grk s THR 100 Ca 0.30 -0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2grk s THR 100 Cb 0.17 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.81 2grk s THR 100 CO 0.18 0.34 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.89 2grk s VAL 101 N -1.22 0.47 0.09 2.29 1.01 0.19 -2.35 120.40 120.88 2grk s VAL 101 Ca 0.24 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2grk s VAL 101 Cb -0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2grk s VAL 101 CO 0.15 0.24 -0.11 0.20 0.00 0.00 0.00 175.10 175.58 2grk s ASN 102 N 1.40 4.34 0.00 3.32 0.01 0.26 -0.62 114.94 123.65 2grk s ASN 102 Ca -0.04 -0.37 -0.07 0.00 -0.71 0.00 0.00 52.86 51.67 2grk s ASN 102 Cb -0.13 -0.83 0.00 0.00 0.41 0.00 0.00 41.25 40.70 2grk s ASN 102 CO -0.03 0.20 0.14 0.00 -1.51 0.00 0.00 177.10 175.90 2grk s ALA 103 N -1.16 -0.33 -0.04 0.60 0.00 -0.33 -1.02 121.76 119.48 2grk s ALA 103 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2grk s ALA 103 Cb -0.11 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2grk s ALA 103 CO 0.12 -0.21 0.06 0.50 0.00 0.00 0.00 175.76 176.23 2grk s ARG 104 N -1.40 -0.04 -0.11 0.00 3.52 -0.51 -0.86 118.95 119.56 2grk s ARG 104 Ca -0.15 0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 2grk s ARG 104 Cb -0.08 -0.54 -0.01 0.00 -1.56 0.00 0.00 34.95 32.77 2grk s ARG 104 CO 0.02 -0.33 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.48 2grk s LEU 105 N 2.16 2.38 0.34 -0.88 1.02 0.19 -1.20 118.68 122.68 2grk s LEU 105 Ca 0.05 -0.45 -0.16 0.00 0.02 0.00 0.00 54.13 53.59 2grk s LEU 105 Cb -0.12 -1.50 0.04 0.00 0.02 0.00 0.00 46.19 44.63 2grk s LEU 105 CO -0.03 0.17 0.72 -0.94 0.02 0.00 0.00 176.35 176.29 2grk s SER 106 N 0.29 -0.01 0.80 2.29 1.04 -0.65 0.31 113.70 117.77 2grk s SER 106 Ca -0.14 -0.99 -0.07 0.00 0.48 0.00 0.00 55.95 55.23 2grk s SER 106 Cb -0.17 0.78 0.14 0.00 0.10 0.00 0.00 66.02 66.87 2grk s SER 106 CO 0.07 -1.51 1.11 -0.44 0.98 0.00 0.00 173.24 173.45 2grk s SER 107 N -3.03 4.03 -0.12 7.02 0.01 0.14 -1.13 113.70 120.62 2grk s SER 107 Ca 0.16 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.48 2grk s SER 107 Cb -0.05 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.83 2grk s SER 107 CO 0.11 -2.10 -0.19 -0.69 0.41 0.00 0.00 173.24 170.77 2grk s VAL 108 N -3.42 1.80 0.42 3.43 1.01 -1.26 -2.96 120.40 119.42 2grk s VAL 108 Ca 0.68 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 2grk s VAL 108 Cb -0.06 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 2grk s VAL 108 CO 0.47 0.50 1.17 -0.55 0.00 0.00 0.00 175.10 176.70 2grk s SER 109 N 0.77 6.39 0.00 3.32 0.15 -0.60 -4.80 113.70 118.93 2grk s SER 109 Ca -0.10 2.34 0.03 0.00 0.70 0.00 0.00 55.95 58.92 2grk s SER 109 Cb -0.16 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 61.67 2grk s SER 109 CO 0.01 -0.77 1.09 -2.65 1.20 0.00 0.00 173.24 172.12 2grk n PRO 110 N -0.13 0.00 0.22 5.44 -0.02 -1.24 -1.23 135.00 138.03 2grk n PRO 110 Ca 0.05 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2grk n PRO 110 Cb 0.47 -1.51 0.49 0.00 -0.02 0.00 0.00 33.50 32.93 2grk n PRO 110 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2grk h MET 111 N 0.00 0.00 -0.00 -0.52 2.86 -1.83 -1.25 114.93 114.18 2grk h MET 111 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2grk h MET 111 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2grk h MET 111 CO 0.00 0.27 -0.22 0.66 1.06 0.00 0.00 176.91 178.68 2grk n TYR 112 N -3.83 0.00 -0.05 -0.22 4.02 -0.37 -4.90 117.16 111.82 2grk n TYR 112 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2grk n TYR 112 Cb 0.36 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2grk n TYR 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2grk n GLY 113 N 1.37 0.84 3.84 2.72 0.00 -0.47 -5.08 105.19 108.41 2grk n GLY 113 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2grk n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2grk s ILE 114 N -2.03 4.94 0.18 -0.61 1.09 -1.25 -4.83 121.20 118.69 2grk s ILE 114 Ca 0.00 0.87 -0.14 0.00 -1.10 0.00 0.00 60.65 60.28 2grk s ILE 114 Cb 0.00 -3.75 -0.07 0.00 -1.06 0.00 0.00 42.46 37.58 2grk s ILE 114 CO 0.00 0.48 0.58 -1.83 -0.10 0.00 0.00 174.94 174.08 2grk s GLU 115 N -1.33 3.99 0.11 2.79 -1.05 -1.26 -3.71 118.70 118.23 2grk s GLU 115 Ca 0.28 0.51 -0.12 0.00 -0.15 0.00 0.00 54.97 55.50 2grk s GLU 115 Cb -0.17 -2.85 0.01 0.00 -0.44 0.00 0.00 34.13 30.68 2grk s GLU 115 CO 0.16 0.42 0.28 -1.54 0.95 0.00 0.00 175.26 175.54 2grk s SER 116 N -1.84 -0.03 0.43 0.83 1.04 -1.06 -4.92 113.70 108.15 2grk s SER 116 Ca 0.41 -0.52 -0.24 0.00 0.48 0.00 0.00 55.95 56.08 2grk s SER 116 Cb -0.14 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.30 2grk s SER 116 CO 0.20 -0.79 1.13 -2.84 0.98 0.00 0.00 173.24 171.92 2grk s PRO 117 N -3.84 3.92 -0.18 4.02 0.02 -1.26 -3.20 135.00 134.49 2grk s PRO 117 Ca 0.04 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 62.76 2grk s PRO 117 Cb 0.04 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 32.07 2grk s PRO 117 CO -0.11 -0.40 -0.13 0.00 -0.33 0.00 0.00 177.00 176.03 2grk s ALA 118 N -1.56 2.56 0.24 -1.55 0.00 -0.99 -4.10 121.76 116.35 2grk s ALA 118 Ca 0.61 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 51.56 2grk s ALA 118 Cb -0.27 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2grk s ALA 118 CO 0.33 -0.19 -0.12 0.96 0.00 0.00 0.00 175.76 176.74 2grk s ILE 119 N 1.07 2.97 1.12 0.00 -4.36 0.30 -4.57 121.20 117.72 2grk s ILE 119 Ca -0.00 -1.99 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 2grk s ILE 119 Cb -0.15 -2.52 0.26 0.00 1.25 0.00 0.00 42.46 41.30 2grk s ILE 119 CO -0.03 -0.27 1.05 0.42 0.24 0.00 0.00 174.94 176.35 2grk s THR 120 N -2.11 2.02 0.36 8.37 -4.23 -1.25 0.17 115.64 118.98 2grk s THR 120 Ca 0.28 0.01 0.11 0.00 -1.18 0.00 0.00 61.69 60.90 2grk s THR 120 Cb -0.07 -2.02 0.10 0.00 1.34 0.00 0.00 72.50 71.85 2grk s THR 120 CO 0.16 -0.01 1.84 -0.74 -0.54 0.00 0.00 174.62 175.33 2grk h HIS 121 N -2.50 0.13 0.06 3.99 2.76 -1.95 -1.44 115.15 116.20 2grk h HIS 121 Ca -0.57 -0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 57.43 2grk h HIS 121 Cb 1.32 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 30.26 2grk h HIS 121 CO 0.32 0.41 -0.60 1.49 -1.30 0.00 0.00 177.93 178.25 2grk h GLU 122 N 0.10 0.30 -0.21 5.26 4.57 -1.94 -2.69 114.58 119.97 2grk h GLU 122 Ca 0.01 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 2grk h GLU 122 Cb 0.59 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 2grk h GLU 122 CO 0.04 1.13 0.04 0.93 -1.18 0.00 0.00 179.01 179.97 2grk h GLU 123 N -0.34 0.30 -0.10 1.92 5.08 -1.88 -2.13 114.58 117.43 2grk h GLU 123 Ca -0.09 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 2grk h GLU 123 Cb 1.39 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2grk h GLU 123 CO 0.12 0.30 -0.68 0.00 -1.00 0.00 0.00 179.01 177.74 2grk h ALA 124 N 1.75 0.64 -0.18 3.43 0.00 -1.28 -2.32 119.26 121.29 2grk h ALA 124 Ca 0.07 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2grk h ALA 124 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2grk h ALA 124 CO -0.00 0.74 -0.35 -0.07 0.00 0.00 0.00 179.25 179.57 2grk h LEU 125 N 0.29 0.40 -0.13 0.00 3.38 -1.05 -1.23 115.31 116.97 2grk h LEU 125 Ca -0.02 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 2grk h LEU 125 Cb 1.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2grk h LEU 125 CO 0.12 0.72 -0.29 0.00 0.09 0.00 0.00 178.44 179.08 2grk h ALA 126 N 1.30 0.21 -0.45 1.53 0.00 -1.39 -2.37 119.26 118.08 2grk h ALA 126 Ca 0.04 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.60 2grk h ALA 126 Cb 0.78 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2grk h ALA 126 CO 0.06 0.22 0.15 1.98 0.00 0.00 0.00 179.25 181.67 2grk h MET 127 N 0.01 0.31 -0.51 0.00 1.85 -1.32 0.25 114.93 115.52 2grk h MET 127 Ca 0.00 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.16 2grk h MET 127 Cb 0.89 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.82 2grk h MET 127 CO 0.06 0.20 0.35 0.82 -0.40 0.00 0.00 176.91 177.95 2grk h ILE 128 N 0.32 0.91 0.16 1.77 2.04 -1.14 0.41 117.51 121.96 2grk h ILE 128 Ca 0.21 -0.12 -0.29 0.00 1.00 0.00 0.00 64.86 65.67 2grk h ILE 128 Cb 0.22 0.54 0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2grk h ILE 128 CO -0.23 0.06 -1.29 -1.13 0.00 0.00 0.00 178.15 175.57 2grk h ASN 129 N 0.34 0.58 0.13 1.72 -1.24 -0.22 -3.38 115.58 113.51 2grk h ASN 129 Ca 0.23 -0.60 -0.27 0.00 0.71 0.00 0.00 56.30 56.37 2grk h ASN 129 Cb 0.48 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2grk h ASN 129 CO -0.06 1.46 -1.37 0.44 -1.29 0.00 0.00 177.43 176.61 2grk h ASP 130 N 0.12 0.42 -1.42 1.15 3.32 0.09 -3.47 116.42 116.62 2grk h ASP 130 Ca -0.17 -0.87 -0.73 0.00 0.02 0.00 0.00 57.03 55.28 2grk h ASP 130 Cb 2.00 -0.14 0.04 0.00 0.22 0.00 0.00 39.33 41.46 2grk h ASP 130 CO 0.22 1.61 0.41 0.00 -1.72 0.00 0.00 179.24 179.76 2grk s ALA 132 N 0.90 -0.30 -0.14 0.00 0.00 -0.89 -4.70 121.76 116.63 2grk s ALA 132 Ca 0.90 0.43 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2grk s ALA 132 Cb -1.10 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2grk s ALA 132 CO 0.55 -0.08 -0.14 0.08 0.00 0.00 0.00 175.76 176.16 2grk s VAL 133 N 0.34 2.85 0.08 0.00 1.01 -0.94 -1.66 120.40 122.08 2grk s VAL 133 Ca -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2grk s VAL 133 Cb -0.04 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2grk s VAL 133 CO -0.01 0.52 0.10 -0.94 0.00 0.00 0.00 175.10 174.76 2grk s SER 134 N 0.62 5.66 -0.10 3.32 1.04 0.17 -0.57 113.70 123.84 2grk s SER 134 Ca -0.08 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.39 2grk s SER 134 Cb -0.16 -1.56 0.02 0.00 0.10 0.00 0.00 66.02 64.42 2grk s SER 134 CO 0.03 0.17 -0.11 -0.63 0.98 0.00 0.00 173.24 173.67 2grk s ILE 135 N -1.42 1.20 -0.08 -1.02 1.01 -0.16 -0.99 121.20 119.74 2grk s ILE 135 Ca 0.30 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 2grk s ILE 135 Cb -0.12 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.24 2grk s ILE 135 CO 0.23 0.38 -0.04 0.21 0.00 0.00 0.00 174.94 175.73 2grk s ASN 136 N 1.16 1.68 -0.19 3.58 3.04 -0.20 0.13 114.94 124.13 2grk s ASN 136 Ca -0.05 -0.17 -0.00 0.00 0.04 0.00 0.00 52.86 52.68 2grk s ASN 136 Cb -0.14 -0.58 0.05 0.00 -1.54 0.00 0.00 41.25 39.03 2grk s ASN 136 CO -0.03 -0.14 -0.05 -0.63 -3.04 0.00 0.00 177.10 173.22 2grk s ILE 137 N 1.67 1.20 0.32 -5.21 1.01 0.66 0.01 121.20 120.86 2grk s ILE 137 Ca 0.02 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.93 2grk s ILE 137 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2grk s ILE 137 CO -0.05 0.02 0.08 -0.54 0.00 0.00 0.00 174.94 174.45 2grk s LYS 138 N 1.57 2.29 0.45 2.79 1.02 -0.31 -1.10 119.74 126.45 2grk s LYS 138 Ca -0.02 -1.56 -0.19 0.00 0.02 0.00 0.00 55.97 54.22 2grk s LYS 138 Cb -0.17 -2.12 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 2grk s LYS 138 CO -0.07 0.18 0.94 0.00 -0.92 0.00 0.00 175.35 175.48 2grk s SER 140 N -2.44 0.98 0.00 0.00 0.15 -0.90 -4.51 113.70 106.98 2grk s SER 140 Ca 0.61 -0.20 0.16 0.00 0.70 0.00 0.00 55.95 57.21 2grk s SER 140 Cb -0.09 -0.09 -0.15 0.00 -1.71 0.00 0.00 66.02 63.97 2grk s SER 140 CO 0.18 0.07 0.70 -0.62 1.20 0.00 0.00 173.24 174.77 2grk n GLU 141 N 2.69 1.72 -1.46 5.44 -0.58 -1.26 -4.37 120.64 122.83 2grk n GLU 141 Ca -0.14 -0.10 -0.57 0.00 -0.42 0.00 0.00 57.16 55.93 2grk n GLU 141 Cb 0.57 -1.26 -0.08 0.00 -0.57 0.00 0.00 31.44 30.10 2grk n GLU 141 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2grk n GLU 142 N -1.23 0.00 0.00 3.49 4.07 -1.26 -4.90 120.64 120.81 2grk n GLU 142 Ca 0.03 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.15 2grk n GLU 142 Cb 0.26 -1.39 0.01 0.00 -0.06 0.00 0.00 31.44 30.26 2grk n GLU 142 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2grk n GLU 143 N 2.08 0.05 -0.51 5.31 -0.58 -1.26 -4.82 120.64 120.91 2grk n GLU 143 Ca 0.22 -0.65 -0.29 0.00 -0.42 0.00 0.00 57.16 56.01 2grk n GLU 143 Cb 0.04 -1.03 0.23 0.00 -0.57 0.00 0.00 31.44 30.10 2grk n GLU 143 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2grk n LYS 144 N 0.09 -2.58 -2.46 3.49 2.85 -1.26 -4.97 118.16 113.31 2grk n LYS 144 Ca 0.02 -0.74 -0.33 0.00 -1.05 0.00 0.00 58.31 56.21 2grk n LYS 144 Cb 0.09 -1.90 -0.04 0.00 -0.65 0.00 0.00 35.03 32.53 2grk n LYS 144 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2grk s ASP 145 N -2.24 6.53 0.32 -5.58 1.11 -1.26 -4.94 116.67 110.61 2grk s ASP 145 Ca 0.61 1.68 -0.29 0.00 0.18 0.00 0.00 52.55 54.73 2grk s ASP 145 Cb -0.17 -2.53 -0.11 0.00 1.07 0.00 0.00 42.92 41.18 2grk s ASP 145 CO 0.62 -0.65 1.50 -0.44 1.18 0.00 0.00 175.17 177.39 2grk s SER 146 N -2.68 6.43 -0.81 0.27 0.01 -1.26 -4.61 113.70 111.06 2grk s SER 146 Ca 0.61 2.93 0.02 0.00 1.31 0.00 0.00 55.95 60.83 2grk s SER 146 Cb -0.11 -2.65 0.28 0.00 0.21 0.00 0.00 66.02 63.75 2grk s SER 146 CO 0.26 -0.84 1.08 -3.20 0.41 0.00 0.00 173.24 170.96 2grk n ASN 147 N 1.38 4.95 -4.78 2.44 4.05 0.72 -4.95 115.26 119.08 2grk n ASN 147 Ca 0.04 -3.47 -0.37 0.00 0.45 0.00 0.00 54.58 51.23 2grk n ASN 147 Cb 0.39 -0.90 -0.05 0.00 1.23 0.00 0.00 39.78 40.45 2grk n ASN 147 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2grk s ILE 148 N -2.85 3.82 0.74 -1.44 1.01 -1.26 -2.25 121.20 118.97 2grk s ILE 148 Ca 0.37 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.41 2grk s ILE 148 Cb 0.13 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2grk s ILE 148 CO 0.02 0.11 1.07 -0.54 0.00 0.00 0.00 174.94 175.60 2grk s LYS 149 N -2.18 2.58 0.06 2.79 1.02 0.71 -4.85 119.74 119.87 2grk s LYS 149 Ca 0.53 0.87 0.07 0.00 0.02 0.00 0.00 55.97 57.46 2grk s LYS 149 Cb -0.23 -1.96 -0.23 0.00 -0.52 0.00 0.00 37.83 34.90 2grk s LYS 149 CO 0.29 -1.33 1.04 1.15 -0.92 0.00 0.00 175.35 175.58 2grk h THR 150 N -0.88 1.39 -3.17 2.17 2.02 -1.97 -3.45 112.91 109.00 2grk h THR 150 Ca -0.45 -3.13 -0.50 0.00 0.77 0.00 0.00 66.41 63.11 2grk h THR 150 Cb 1.23 2.72 0.01 0.00 -1.74 0.00 0.00 68.15 70.36 2grk h THR 150 CO 0.57 0.81 -0.09 -1.00 0.37 0.00 0.00 175.52 176.18 2grk s HIS 151 N -2.66 3.50 0.98 3.16 3.76 -1.26 -5.08 115.29 117.69 2grk s HIS 151 Ca -0.02 0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 55.38 2grk s HIS 151 Cb 0.09 -2.09 0.18 0.00 1.11 0.00 0.00 32.58 31.87 2grk s HIS 151 CO 0.83 0.04 1.10 -2.14 -0.85 0.00 0.00 174.74 173.72 2grk s PRO 152 N -4.08 0.50 0.04 8.40 0.02 -1.26 -4.72 135.00 133.90 2grk s PRO 152 Ca 0.44 1.25 -0.30 0.00 0.02 0.00 0.00 61.00 62.40 2grk s PRO 152 Cb -0.10 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.68 2grk s PRO 152 CO 0.35 -2.89 1.20 0.08 -0.33 0.00 0.00 177.00 175.41 2grk s VAL 153 N -2.63 4.07 0.27 3.83 1.01 -1.26 -4.94 120.40 120.75 2grk s VAL 153 Ca 0.67 1.48 -0.08 0.00 0.00 0.00 0.00 61.98 64.04 2grk s VAL 153 Cb -0.23 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 2grk s VAL 153 CO 0.60 0.10 0.57 -0.76 0.00 0.00 0.00 175.10 175.60 2grk s LEU 154 N 1.24 4.10 0.45 3.92 1.43 -1.26 -5.09 118.68 123.46 2grk s LEU 154 Ca 0.58 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 54.59 2grk s LEU 154 Cb -0.29 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 2grk s LEU 154 CO 0.28 -0.15 0.08 -0.83 0.23 0.00 0.00 176.35 175.97 2grk s GLY 155 N -2.76 2.59 0.22 -3.19 0.00 -1.26 -4.89 107.32 98.04 2grk s GLY 155 Ca 0.46 -1.67 0.23 0.00 0.00 0.00 0.00 44.72 43.74 2grk s GLY 155 CO 0.26 -2.06 1.19 1.48 0.00 0.00 0.00 173.10 173.96 2grk h SER 156 N 1.49 0.00 -0.31 1.64 4.64 -1.90 -1.59 113.55 117.53 2grk h SER 156 Ca -0.43 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 2grk h SER 156 Cb 1.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 2grk h SER 156 CO 0.74 0.02 -0.12 -3.20 -0.87 0.00 0.00 176.83 173.41 2grk n ASN 157 N -2.63 -3.86 -4.36 4.97 5.15 -1.26 -3.98 115.26 109.29 2grk n ASN 157 Ca 0.01 0.16 -0.34 0.00 -0.60 0.00 0.00 54.58 53.82 2grk n ASN 157 Cb 0.52 -1.93 -0.14 0.00 -0.53 0.00 0.00 39.78 37.71 2grk n ASN 157 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2grk s ILE 158 N -2.21 3.22 0.23 -1.44 1.01 -1.26 -4.86 121.20 115.89 2grk s ILE 158 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 2grk s ILE 158 Cb 0.00 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 2grk s ILE 158 CO 0.00 0.49 0.47 -0.94 0.00 0.00 0.00 174.94 174.96 2grk s SER 159 N 0.69 6.44 -0.89 3.58 1.04 -1.26 -5.00 113.70 118.30 2grk s SER 159 Ca -0.05 0.60 -0.04 0.00 0.48 0.00 0.00 55.95 56.94 2grk s SER 159 Cb -0.15 -2.09 0.12 0.00 0.10 0.00 0.00 66.02 63.99 2grk s SER 159 CO 0.02 -0.10 2.51 1.41 0.98 0.00 0.00 173.24 178.07 2grk n HIS 160 N -0.63 2.17 -2.44 5.02 8.25 -1.26 -4.95 115.22 121.37 2grk n HIS 160 Ca -0.03 -2.38 -0.28 0.00 -0.26 0.00 0.00 57.72 54.77 2grk n HIS 160 Cb 0.53 -1.56 0.01 0.00 1.12 0.00 0.00 29.99 30.09 2grk n HIS 160 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2grk s LYS 161 N -1.75 3.43 0.06 -0.41 1.02 -1.26 0.78 119.74 121.61 2grk s LYS 161 Ca 0.55 0.27 -0.31 0.00 0.02 0.00 0.00 55.97 56.50 2grk s LYS 161 Cb 0.29 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 35.23 2grk s LYS 161 CO -0.17 -0.37 1.37 0.21 -0.92 0.00 0.00 175.35 175.46 2grk s LYS 162 N -4.88 4.32 0.32 1.68 2.20 -1.26 -4.75 119.74 117.38 2grk s LYS 162 Ca 0.50 1.99 -0.01 0.00 -0.36 0.00 0.00 55.97 58.09 2grk s LYS 162 Cb -0.10 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2grk s LYS 162 CO 0.47 -0.47 0.43 1.33 -0.36 0.00 0.00 175.35 176.75 2grk n VAL 163 N 4.22 0.00 -1.54 4.02 0.24 -1.26 -4.96 118.33 119.05 2grk n VAL 163 Ca 0.12 -1.69 -0.51 0.00 -2.04 0.00 0.00 64.34 60.22 2grk n VAL 163 Cb 0.43 1.02 -0.05 0.00 -1.47 0.00 0.00 33.84 33.77 2grk n VAL 163 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2grk n ARG 164 N -0.54 0.74 -2.63 7.34 1.74 -1.24 -4.59 116.66 117.47 2grk n ARG 164 Ca 0.01 0.27 -0.37 0.00 -0.77 0.00 0.00 57.85 56.98 2grk n ARG 164 Cb 0.54 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 2grk n ARG 164 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2grk s TYR 165 N -0.19 3.50 -0.14 -1.55 5.04 -1.26 -1.16 117.35 121.58 2grk s TYR 165 Ca 0.77 1.72 -0.06 0.00 -2.44 0.00 0.00 57.07 57.06 2grk s TYR 165 Cb -0.97 -3.06 0.07 0.00 0.35 0.00 0.00 41.96 38.35 2grk s TYR 165 CO 0.53 -0.25 0.30 -2.00 -1.34 0.00 0.00 175.55 172.80 2grk s GLU 166 N -2.13 0.21 -0.59 4.97 2.56 -0.79 -4.79 118.70 118.13 2grk s GLU 166 Ca 0.52 0.79 -0.26 0.00 0.00 0.00 0.00 54.97 56.02 2grk s GLU 166 Cb -0.22 0.03 -0.07 0.00 2.00 0.00 0.00 34.13 35.87 2grk s GLU 166 CO 0.28 -0.25 2.29 0.34 -0.56 0.00 0.00 175.26 177.36 2grk s ASP 167 N 2.23 4.50 -0.06 -1.70 2.15 -1.26 -4.31 116.67 118.21 2grk s ASP 167 Ca -0.02 0.65 -0.05 0.00 0.43 0.00 0.00 52.55 53.57 2grk s ASP 167 Cb -0.12 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 2grk s ASP 167 CO -0.10 -3.00 -0.11 -0.38 -0.17 0.00 0.00 175.17 171.42 2grk n ILE 168 N 8.02 0.68 -1.86 4.11 5.41 -1.26 -4.96 119.36 129.50 2grk n ILE 168 Ca 0.36 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.68 2grk n ILE 168 Cb 0.52 -1.67 -0.03 0.00 -0.71 0.00 0.00 39.64 37.75 2grk n ILE 168 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2grk s ILE 169 N -2.19 2.57 0.00 1.39 1.01 -1.26 -2.23 121.20 120.50 2grk s ILE 169 Ca -0.11 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2grk s ILE 169 Cb 0.04 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2grk s ILE 169 CO 0.15 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2grk n GLY 170 N 3.92 1.15 3.74 6.18 0.00 0.26 -4.89 105.19 115.55 2grk n GLY 170 Ca 0.15 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2grk n GLY 170 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2grk s SER 171 N -0.73 6.49 -0.35 1.61 1.04 -1.26 -4.84 113.70 115.66 2grk s SER 171 Ca 0.00 2.80 0.03 0.00 0.48 0.00 0.00 55.95 59.26 2grk s SER 171 Cb 0.00 -2.62 0.10 0.00 0.10 0.00 0.00 66.02 63.60 2grk s SER 171 CO 0.00 -0.84 0.08 -0.89 0.98 0.00 0.00 173.24 172.57 2grk s THR 172 N 0.27 1.96 -0.14 2.02 2.01 -1.26 -0.99 115.64 119.52 2grk s THR 172 Ca 0.64 -2.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.41 2grk s THR 172 Cb -0.46 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 2grk s THR 172 CO 0.42 -0.64 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.01 2grk s ILE 173 N 0.96 3.58 -0.00 1.82 1.01 0.12 -5.01 121.20 123.67 2grk s ILE 173 Ca 0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2grk s ILE 173 Cb -0.19 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 2grk s ILE 173 CO -0.11 0.51 0.05 0.68 0.00 0.00 0.00 174.94 176.08 2grk s VAL 174 N 0.24 0.06 -0.74 2.92 -7.23 -1.26 -0.25 120.40 114.15 2grk s VAL 174 Ca -0.05 -0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 2grk s VAL 174 Cb -0.14 -0.24 0.05 0.00 0.56 0.00 0.00 36.38 36.61 2grk s VAL 174 CO 0.04 -0.27 1.17 -0.62 -0.31 0.00 0.00 175.10 175.11 2grk s ASP 175 N -0.83 6.21 0.60 4.85 -1.08 -0.26 -4.87 116.67 121.29 2grk s ASP 175 Ca -0.09 -0.79 0.25 0.00 -0.52 0.00 0.00 52.55 51.40 2grk s ASP 175 Cb -0.06 -2.50 1.35 0.00 -1.46 0.00 0.00 42.92 40.25 2grk s ASP 175 CO 0.00 -1.64 1.74 0.16 0.52 0.00 0.00 175.17 175.95 2grk h ILE 176 N 6.06 0.00 0.44 4.11 3.07 -1.90 -1.73 117.51 127.56 2grk h ILE 176 Ca -0.23 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.17 2grk h ILE 176 Cb 1.05 0.55 -0.02 0.00 -0.27 0.00 0.00 36.82 38.14 2grk h ILE 176 CO 1.25 0.00 -0.35 0.11 -1.05 0.00 0.00 178.15 178.11 2grk h LYS 177 N 0.00 -0.76 0.00 0.16 1.57 -1.99 -3.29 116.57 112.26 2grk h LYS 177 Ca 0.00 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2grk h LYS 177 Cb 0.74 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 2grk h LYS 177 CO 0.00 -0.51 -1.52 0.00 -0.57 0.00 0.00 179.45 176.85 2grk s VAL 179 N -3.42 5.23 -0.00 0.00 1.01 -0.69 -0.67 120.40 121.85 2grk s VAL 179 Ca -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2grk s VAL 179 Cb 0.12 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 2grk s VAL 179 CO 0.85 -0.17 -0.01 0.50 0.00 0.00 0.00 175.10 176.27 2grk h LYS 180 N 8.56 0.00 -6.23 2.72 3.64 -1.33 -3.40 116.57 120.53 2grk h LYS 180 Ca -0.29 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.52 2grk h LYS 180 Cb 1.14 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.86 2grk h LYS 180 CO 0.70 0.00 -0.66 -0.51 -2.27 0.00 0.00 179.45 176.71 2grk s ASP 181 N -3.56 4.48 -0.22 4.20 1.01 -0.87 -4.65 116.67 117.06 2grk s ASP 181 Ca -0.00 -0.65 -0.09 0.00 0.71 0.00 0.00 52.55 52.51 2grk s ASP 181 Cb 0.00 -0.81 0.09 0.00 1.01 0.00 0.00 42.92 43.21 2grk s ASP 181 CO 0.01 0.01 0.50 -0.22 0.21 0.00 0.00 175.17 175.68 2grk s LEU 182 N -3.57 -0.64 -0.08 1.23 0.20 0.28 -1.51 118.68 114.59 2grk s LEU 182 Ca 0.31 1.15 0.04 0.00 0.69 0.00 0.00 54.13 56.32 2grk s LEU 182 Cb -0.07 1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 47.35 2grk s LEU 182 CO 0.19 -0.22 -0.21 -1.61 -0.29 0.00 0.00 176.35 174.21 2grk s GLU 183 N 2.22 2.83 0.01 1.98 2.02 -0.48 -0.37 118.70 126.91 2grk s GLU 183 Ca -0.06 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.12 2grk s GLU 183 Cb -0.10 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 2grk s GLU 183 CO -0.15 0.33 -0.08 0.12 0.02 0.00 0.00 175.26 175.50 2grk s PHE 184 N -0.01 0.68 -0.09 1.61 5.36 -0.66 -1.38 117.98 123.49 2grk s PHE 184 Ca -0.07 -0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 55.63 2grk s PHE 184 Cb -0.15 -0.42 0.05 0.00 -0.34 0.00 0.00 43.02 42.15 2grk s PHE 184 CO 0.05 -0.02 0.18 0.45 -1.46 0.00 0.00 175.22 174.42 2grk s SER 185 N -0.63 0.23 -0.08 6.13 0.15 -1.01 -1.43 113.70 117.06 2grk s SER 185 Ca -0.01 0.39 0.04 0.00 0.70 0.00 0.00 55.95 57.07 2grk s SER 185 Cb -0.05 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2grk s SER 185 CO 0.00 -0.20 -0.21 -0.69 1.20 0.00 0.00 173.24 173.35 2grk s VAL 186 N 1.75 2.42 -0.06 4.45 1.01 0.22 -2.44 120.40 127.75 2grk s VAL 186 Ca -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2grk s VAL 186 Cb -0.12 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2grk s VAL 186 CO -0.07 0.56 -0.14 -0.13 0.00 0.00 0.00 175.10 175.32 2grk s ARG 187 N 0.01 1.78 -0.04 2.72 1.81 -0.98 -0.83 118.95 123.41 2grk s ARG 187 Ca -0.07 -0.50 0.05 0.00 -1.72 0.00 0.00 55.73 53.49 2grk s ARG 187 Cb -0.15 -1.48 -0.01 0.00 -0.45 0.00 0.00 34.95 32.86 2grk s ARG 187 CO 0.05 0.10 -0.20 0.42 -0.68 0.00 0.00 175.30 174.99 2grk s ILE 188 N 0.44 1.65 -0.56 1.52 1.01 -0.84 -1.60 121.20 122.82 2grk s ILE 188 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2grk s ILE 188 Cb -0.14 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2grk s ILE 188 CO 0.04 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2grk n GLY 189 N 2.98 -1.27 3.70 6.18 0.00 -1.06 -1.33 105.19 114.39 2grk n GLY 189 Ca -0.17 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2grk n GLY 189 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2grk s ASP 190 N -2.59 7.29 0.00 1.61 -1.08 -1.26 -1.17 116.67 119.46 2grk s ASP 190 Ca 0.00 1.56 0.17 0.00 -0.52 0.00 0.00 52.55 53.77 2grk s ASP 190 Cb 0.00 -2.55 0.70 0.00 -1.46 0.00 0.00 42.92 39.61 2grk s ASP 190 CO 0.00 -0.30 1.50 0.23 0.52 0.00 0.00 175.17 177.12 2grk n MET 191 N 4.21 1.55 -0.01 4.34 2.81 -0.01 -3.94 117.12 126.07 2grk n MET 191 Ca 0.06 -0.84 -0.01 0.00 -1.81 0.00 0.00 57.70 55.10 2grk n MET 191 Cb 0.50 -1.33 -0.01 0.00 -0.71 0.00 0.00 33.22 31.68 2grk n MET 191 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2grk s LYS 193 N -2.03 0.46 -0.00 0.00 2.20 -1.25 -5.09 119.74 114.02 2grk s LYS 193 Ca -0.02 1.07 -0.36 0.00 -0.36 0.00 0.00 55.97 56.30 2grk s LYS 193 Cb 0.01 0.54 -0.15 0.00 -1.51 0.00 0.00 37.83 36.71 2grk s LYS 193 CO 0.04 -0.14 1.56 0.39 -0.36 0.00 0.00 175.35 176.84 2grk n GLU 194 N 4.94 1.54 -3.64 4.03 1.02 -1.26 -4.58 120.64 122.68 2grk n GLU 194 Ca -0.13 0.56 -0.38 0.00 -0.02 0.00 0.00 57.16 57.19 2grk n GLU 194 Cb 0.52 -2.27 -0.08 0.00 -0.02 0.00 0.00 31.44 29.60 2grk n GLU 194 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2grk s ALA 195 N 1.78 3.74 0.00 0.62 0.00 -1.26 -5.01 121.76 121.64 2grk s ALA 195 Ca 0.87 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 49.49 2grk s ALA 195 Cb -0.88 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2grk s ALA 195 CO 0.50 -2.15 0.00 -1.13 0.00 0.00 0.00 175.76 172.98 2grk n SER 196 N 3.44 0.00 0.04 0.00 3.41 -1.26 0.19 113.62 119.44 2grk n SER 196 Ca 0.10 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 2grk n SER 196 Cb 0.39 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.83 2grk n SER 196 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2grk n GLU 197 N -2.78 0.12 -0.25 4.33 1.02 -1.26 -3.67 120.64 118.14 2grk n GLU 197 Ca 0.00 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 2grk n GLU 197 Cb 0.00 -1.63 0.18 0.00 -0.02 0.00 0.00 31.44 29.98 2grk n GLU 197 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2grk n LEU 198 N -1.83 3.19 -4.47 -4.62 4.77 0.50 -4.91 117.00 109.64 2grk n LEU 198 Ca 0.06 -2.21 -0.41 0.00 -0.03 0.00 0.00 56.01 53.42 2grk n LEU 198 Cb 0.38 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 2grk n LEU 198 CO 0.29 0.73 -0.13 -1.61 -1.33 0.00 0.00 177.39 175.34 2grk s GLU 199 N -1.39 3.21 0.30 3.23 0.41 -1.16 -3.87 118.70 119.43 2grk s GLU 199 Ca 0.28 -0.83 0.03 0.00 -0.41 0.00 0.00 54.97 54.03 2grk s GLU 199 Cb 0.17 -3.79 -0.05 0.00 -1.78 0.00 0.00 34.13 28.69 2grk s GLU 199 CO 0.15 -0.56 0.11 0.14 -0.49 0.00 0.00 175.26 174.61 2grk s VAL 200 N 1.66 0.64 -0.07 2.63 -7.23 -0.45 -3.72 120.40 113.86 2grk s VAL 200 Ca 0.05 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 2grk s VAL 200 Cb -0.18 -2.61 0.09 0.00 0.56 0.00 0.00 36.38 34.24 2grk s VAL 200 CO 0.09 0.00 0.79 -0.75 -0.31 0.00 0.00 175.10 174.91 2grk s LYS 201 N -3.91 0.91 0.07 4.82 2.20 -0.31 -1.98 119.74 121.53 2grk s LYS 201 Ca 0.35 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 2grk s LYS 201 Cb 0.07 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.78 2grk s LYS 201 CO 0.15 -0.30 -0.05 0.34 -0.36 0.00 0.00 175.35 175.14 2grk s ASP 202 N -1.29 0.75 -0.15 1.43 -1.08 -0.01 -1.89 116.67 114.42 2grk s ASP 202 Ca -0.07 -0.92 -0.35 0.00 -0.52 0.00 0.00 52.55 50.69 2grk s ASP 202 Cb -0.00 0.14 0.15 0.00 -1.46 0.00 0.00 42.92 41.74 2grk s ASP 202 CO 0.05 -0.49 1.39 -0.83 0.52 0.00 0.00 175.17 175.81 2grk s GLY 203 N -2.73 -0.38 0.12 2.66 0.00 -1.26 0.70 107.32 106.43 2grk s GLY 203 Ca 0.06 1.28 -0.18 0.00 0.00 0.00 0.00 44.72 45.87 2grk s GLY 203 CO -0.06 0.34 0.45 -0.11 0.00 0.00 0.00 173.10 173.72 2grk s PHE 204 N -2.11 -0.29 -0.29 1.90 -0.12 -0.51 -2.49 117.98 114.07 2grk s PHE 204 Ca 0.13 0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 2grk s PHE 204 Cb 0.04 0.32 0.09 0.00 -0.63 0.00 0.00 43.02 42.84 2grk s PHE 204 CO -0.05 -0.72 0.05 0.15 -0.05 0.00 0.00 175.22 174.61 2grk s LYS 205 N -3.64 1.02 -0.75 1.99 1.02 0.13 -1.66 119.74 117.85 2grk s LYS 205 Ca 0.02 -1.13 -0.19 0.00 0.02 0.00 0.00 55.97 54.69 2grk s LYS 205 Cb 0.01 -2.34 0.12 0.00 -0.52 0.00 0.00 37.83 35.10 2grk s LYS 205 CO -0.11 -0.86 0.92 -0.47 -0.92 0.00 0.00 175.35 173.90 2grk s TYR 206 N 1.47 3.06 -0.08 3.18 5.04 0.50 -2.06 117.35 128.47 2grk s TYR 206 Ca 0.06 -1.14 0.03 0.00 -2.44 0.00 0.00 57.07 53.58 2grk s TYR 206 Cb -0.18 -4.15 0.01 0.00 0.35 0.00 0.00 41.96 37.99 2grk s TYR 206 CO -0.17 -1.41 -0.17 0.42 -1.34 0.00 0.00 175.55 172.88 2grk s ILE 207 N 2.70 1.52 -1.45 3.14 1.01 0.04 -0.56 121.20 127.59 2grk s ILE 207 Ca 0.22 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 2grk s ILE 207 Cb -0.14 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.02 2grk s ILE 207 CO -0.00 0.44 0.63 0.47 0.00 0.00 0.00 174.94 176.47 2grk n ASP 208 N 3.63 -5.27 0.00 3.58 8.00 -1.26 -1.44 116.55 123.79 2grk n ASP 208 Ca -0.21 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 54.93 2grk n ASP 208 Cb 0.52 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 2grk n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2grk n GLY 209 N -1.45 0.69 3.47 0.44 0.00 -1.26 -5.02 105.19 102.05 2grk n GLY 209 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2grk n GLY 209 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2grk s SER 210 N -2.41 3.92 -0.17 1.61 0.01 -0.52 -5.12 113.70 111.02 2grk s SER 210 Ca 0.00 -0.28 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 2grk s SER 210 Cb 0.00 -0.75 -0.02 0.00 0.21 0.00 0.00 66.02 65.46 2grk s SER 210 CO 0.00 0.31 -0.04 -0.69 0.41 0.00 0.00 173.24 173.23 2grk s VAL 211 N -0.80 3.79 -0.06 3.43 1.01 -1.26 -0.78 120.40 125.72 2grk s VAL 211 Ca 0.13 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2grk s VAL 211 Cb -0.11 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2grk s VAL 211 CO 0.02 0.48 -0.25 -0.94 0.00 0.00 0.00 175.10 174.42 2grk s SER 212 N 0.58 3.03 0.38 3.32 1.04 -0.87 -4.94 113.70 116.24 2grk s SER 212 Ca -0.03 -0.51 0.08 0.00 0.48 0.00 0.00 55.95 55.97 2grk s SER 212 Cb -0.14 -0.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.98 2grk s SER 212 CO 0.03 0.23 -0.01 -1.61 0.98 0.00 0.00 173.24 172.85 2grk s GLU 213 N -0.07 1.94 0.00 4.02 2.02 -1.26 0.19 118.70 125.54 2grk s GLU 213 Ca -0.06 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 52.92 2grk s GLU 213 Cb -0.14 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.38 2grk s GLU 213 CO 0.04 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2grk n GLY 214 N -0.93 3.19 3.75 -1.39 0.00 -1.04 -4.98 105.19 103.79 2grk n GLY 214 Ca -0.05 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 2grk n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2grk s ALA 215 N -2.99 3.39 0.16 4.61 0.00 -1.26 -4.11 121.76 121.56 2grk s ALA 215 Ca 0.00 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 2grk s ALA 215 Cb 0.00 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.87 2grk s ALA 215 CO 0.00 -0.12 0.59 -0.08 0.00 0.00 0.00 175.76 176.15 2grk s THR 216 N -0.97 0.01 -0.05 0.00 -1.32 -1.26 -4.93 115.64 107.12 2grk s THR 216 Ca 0.45 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.54 2grk s THR 216 Cb -0.31 -1.06 -0.05 0.00 -1.51 0.00 0.00 72.50 69.57 2grk s THR 216 CO 0.38 -0.02 1.47 -0.62 -2.21 0.00 0.00 174.62 173.62 2grk s ASP 217 N -2.76 6.80 -0.14 8.08 -1.08 -1.26 -4.14 116.67 122.17 2grk s ASP 217 Ca 0.02 2.09 0.16 0.00 -0.52 0.00 0.00 52.55 54.29 2grk s ASP 217 Cb -0.01 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.32 2grk s ASP 217 CO -0.12 -0.80 1.20 0.47 0.52 0.00 0.00 175.17 176.44 2grk n ASP 218 N 6.22 1.48 0.16 -0.34 8.00 0.23 -4.78 116.55 127.52 2grk n ASP 218 Ca 0.15 -3.26 0.12 0.00 0.71 0.00 0.00 54.79 52.51 2grk n ASP 218 Cb 0.43 -0.45 0.58 0.00 -0.02 0.00 0.00 41.12 41.67 2grk n ASP 218 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2grk h THR 219 N 2.97 0.00 0.00 -3.53 1.35 -1.85 -2.40 112.91 109.45 2grk h THR 219 Ca -0.07 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.62 2grk h THR 219 Cb 1.29 0.78 -0.07 0.00 -1.73 0.00 0.00 68.15 68.42 2grk h THR 219 CO 0.03 0.00 -0.54 -1.20 -0.25 0.00 0.00 175.52 173.57 2grk n SER 220 N -2.34 1.60 -0.08 5.36 7.64 -1.26 -4.73 113.62 119.81 2grk n SER 220 Ca 0.00 -3.39 -0.11 0.00 1.01 0.00 0.00 58.87 56.37 2grk n SER 220 Cb 0.14 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 2grk n SER 220 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2grk h LEU 221 N 0.84 0.40 -8.48 -3.43 5.85 -1.78 -3.44 115.31 105.26 2grk h LEU 221 Ca -0.04 -0.31 -0.31 0.00 0.84 0.00 0.00 57.88 58.05 2grk h LEU 221 Cb 1.18 -0.11 -0.17 0.00 0.37 0.00 0.00 40.66 41.93 2grk h LEU 221 CO 0.02 0.62 -0.73 0.27 -0.34 0.00 0.00 178.44 178.28 2grk s ILE 222 N -4.96 0.94 -0.45 4.05 -4.36 -1.26 -4.99 121.20 110.16 2grk s ILE 222 Ca -0.14 -1.73 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 2grk s ILE 222 Cb 0.07 -1.46 0.03 0.00 1.25 0.00 0.00 42.46 42.35 2grk s ILE 222 CO 0.74 -0.62 0.79 -0.62 0.24 0.00 0.00 174.94 175.47 2grk s ASP 223 N -2.61 6.41 0.32 4.36 -1.08 -1.26 -4.92 116.67 117.89 2grk s ASP 223 Ca 0.08 -0.12 0.14 0.00 -0.52 0.00 0.00 52.55 52.13 2grk s ASP 223 Cb -0.01 -2.39 0.50 0.00 -1.46 0.00 0.00 42.92 39.56 2grk s ASP 223 CO -0.00 -0.92 1.67 0.28 0.52 0.00 0.00 175.17 176.71 2grk h SER 224 N 8.99 0.00 -0.09 -0.34 0.02 -1.99 -3.06 113.55 117.07 2grk h SER 224 Ca -0.25 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2grk h SER 224 Cb 1.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 2grk h SER 224 CO 0.96 0.51 0.26 0.71 -1.14 0.00 0.00 176.83 178.13 2grk h THR 225 N 0.00 0.15 0.00 -2.27 1.35 -2.03 0.11 112.91 110.22 2grk h THR 225 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2grk h THR 225 Cb 1.00 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 2grk h THR 225 CO 0.07 0.00 -0.45 0.11 -0.25 0.00 0.00 175.52 175.00 2grk h LYS 226 N 0.00 0.00 -6.79 4.72 1.57 -1.94 -3.47 116.57 110.65 2grk h LYS 226 Ca 0.04 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.25 2grk h LYS 226 Cb 0.56 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.03 2grk h LYS 226 CO -0.00 0.14 0.17 1.28 -0.57 0.00 0.00 179.45 180.48 2grk n LEU 227 N -3.02 3.51 -4.13 2.94 4.77 0.02 -4.77 117.00 116.32 2grk n LEU 227 Ca 0.02 0.89 -0.26 0.00 -0.03 0.00 0.00 56.01 56.62 2grk n LEU 227 Cb 0.61 -1.40 -0.16 0.00 -2.33 0.00 0.00 43.42 40.14 2grk n LEU 227 CO 0.38 -1.64 -0.50 -0.54 -1.33 0.00 0.00 177.39 173.75 2grk s LYS 228 N -2.54 1.84 0.01 3.23 -0.14 0.12 -4.86 119.74 117.40 2grk s LYS 228 Ca 0.71 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 54.41 2grk s LYS 228 Cb -0.45 -1.58 -0.06 0.00 -1.68 0.00 0.00 37.83 34.06 2grk s LYS 228 CO 0.50 0.23 1.37 0.00 -0.76 0.00 0.00 175.35 176.69 2grk s ALA 229 N 0.08 3.56 0.16 5.17 0.00 -1.26 -0.88 121.76 128.59 2grk s ALA 229 Ca -0.05 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.61 2grk s ALA 229 Cb -0.12 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 2grk s ALA 229 CO 0.03 -0.83 0.63 0.00 0.00 0.00 0.00 175.76 175.58 2grk s VAL 231 N -1.37 4.96 0.46 0.00 -7.23 -0.95 -4.77 120.40 111.49 2grk s VAL 231 Ca 0.37 1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 61.54 2grk s VAL 231 Cb -0.17 -3.89 -0.08 0.00 0.56 0.00 0.00 36.38 32.80 2grk s VAL 231 CO 0.20 0.43 0.90 -0.83 -0.31 0.00 0.00 175.10 175.49 2grk s GLY 232 N -0.20 2.07 0.00 2.32 0.00 -1.26 -3.84 107.32 106.40 2grk s GLY 232 Ca 0.29 0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2grk s GLY 232 CO 0.16 0.32 0.00 -1.14 0.00 0.00 0.00 173.10 172.43 2grk n SER 233 N -1.33 0.00 -3.57 1.64 3.41 -0.13 -4.95 113.62 108.68 2grk n SER 233 Ca 0.05 -0.96 -0.11 0.00 -0.26 0.00 0.00 58.87 57.59 2grk n SER 233 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 2grk n SER 233 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2grk s LEU 234 N 0.00 0.13 0.00 1.04 2.96 -1.26 -4.24 118.68 117.31 2grk s LEU 234 Ca 0.00 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 2grk s LEU 234 Cb 0.00 2.05 0.00 0.00 0.50 0.00 0.00 46.19 48.74 2grk s LEU 234 CO 0.00 -0.88 0.00 0.52 -1.32 0.00 0.00 176.35 174.67