#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2g s LYS 3 N 0.00 4.26 1.14 4.33 1.02 -1.26 -5.03 119.74 124.20 2x2g s LYS 3 Ca 0.00 1.07 -0.19 0.00 0.02 0.00 0.00 55.97 56.88 2x2g s LYS 3 Cb 0.00 -2.37 0.27 0.00 -0.52 0.00 0.00 37.83 35.20 2x2g s LYS 3 CO 0.00 0.08 1.18 -1.25 -0.92 0.00 0.00 175.35 174.44 2x2g s PRO 4 N -2.87 -0.78 0.06 -1.68 0.04 -1.26 -4.91 135.00 123.60 2x2g s PRO 4 Ca 0.58 -0.21 -0.33 0.00 0.04 0.00 0.00 61.00 61.08 2x2g s PRO 4 Cb -0.11 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 2x2g s PRO 4 CO 0.16 -3.39 1.81 0.94 0.04 0.00 0.00 177.00 176.56 2x2g n GLN 5 N -4.50 2.49 -1.36 4.56 7.27 -1.26 -4.94 117.38 119.63 2x2g n GLN 5 Ca 0.14 0.91 -0.31 0.00 0.07 0.00 0.00 57.00 57.81 2x2g n GLN 5 Cb 0.60 -2.77 0.09 0.00 2.41 0.00 0.00 30.24 30.57 2x2g n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x2g s PRO 6 N 2.86 2.27 -0.03 3.69 0.04 -1.26 -4.86 135.00 137.70 2x2g s PRO 6 Ca 0.85 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.94 2x2g s PRO 6 Cb -0.58 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 2x2g s PRO 6 CO 0.42 -1.59 -0.17 0.42 0.04 0.00 0.00 177.00 176.12 2x2g s ILE 7 N -2.97 1.40 -0.24 0.56 1.01 -0.29 -1.24 121.20 119.42 2x2g s ILE 7 Ca 0.61 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 2x2g s ILE 7 Cb -0.16 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.15 2x2g s ILE 7 CO 0.56 0.40 -0.10 0.00 0.00 0.00 0.00 174.94 175.80 2x2g s ALA 8 N -0.09 2.60 0.00 9.38 0.00 -0.08 -1.14 121.76 132.43 2x2g s ALA 8 Ca -0.01 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.56 2x2g s ALA 8 Cb -0.10 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2x2g s ALA 8 CO 0.01 -0.78 -0.22 0.00 0.00 0.00 0.00 175.76 174.77 2x2g s ALA 9 N 1.28 1.86 -0.08 0.00 0.00 0.80 -0.59 121.76 125.03 2x2g s ALA 9 Ca -0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2x2g s ALA 9 Cb -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2x2g s ALA 9 CO -0.06 0.45 -0.21 0.00 0.00 0.00 0.00 175.76 175.93 2x2g s ALA 10 N -0.60 1.91 -0.14 0.00 0.00 0.00 0.31 121.76 123.24 2x2g s ALA 10 Ca 0.09 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2x2g s ALA 10 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2x2g s ALA 10 CO -0.00 0.27 0.07 1.21 0.00 0.00 0.00 175.76 177.31 2x2g s ASN 11 N 0.29 5.72 0.15 0.00 2.47 0.77 -0.69 114.94 123.65 2x2g s ASN 11 Ca -0.14 0.20 -0.09 0.00 0.42 0.00 0.00 52.86 53.25 2x2g s ASN 11 Cb -0.16 -1.86 -0.06 0.00 -1.45 0.00 0.00 41.25 37.72 2x2g s ASN 11 CO 0.06 0.29 0.46 0.86 -3.72 0.00 0.00 177.10 175.05 2x2g s TRP 12 N -0.33 3.51 0.00 0.43 -0.11 -0.58 -2.78 118.94 119.08 2x2g s TRP 12 Ca 0.09 0.78 0.00 0.00 1.22 0.00 0.00 56.10 58.19 2x2g s TRP 12 Cb -0.12 -2.17 0.00 0.00 -1.50 0.00 0.00 33.47 29.68 2x2g s TRP 12 CO 0.02 0.41 0.00 -0.25 -4.62 0.00 0.00 176.95 172.50 2x2g n ASP 19 N 0.34 -1.68 -4.67 5.86 8.00 -1.26 -4.83 116.55 118.31 2x2g n ASP 19 Ca -0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 2x2g n ASP 19 Cb 0.52 0.93 -0.04 0.00 -0.02 0.00 0.00 41.12 42.52 2x2g n ASP 19 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2x2g s SER 20 N -1.12 7.02 0.18 -2.24 0.15 -1.26 -4.94 113.70 111.49 2x2g s SER 20 Ca 0.00 1.26 -0.11 0.00 0.70 0.00 0.00 55.95 57.79 2x2g s SER 20 Cb 0.00 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 61.92 2x2g s SER 20 CO 0.00 -0.42 1.74 0.25 1.20 0.00 0.00 173.24 176.01 2x2g h LEU 21 N 8.32 0.87 -0.51 3.45 7.12 -1.99 -1.57 115.31 131.01 2x2g h LEU 21 Ca -0.29 -0.17 0.04 0.00 0.13 0.00 0.00 57.88 57.59 2x2g h LEU 21 Cb 1.13 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 40.99 2x2g h LEU 21 CO 0.85 0.80 0.27 -1.28 -0.13 0.00 0.00 178.44 178.95 2x2g h SER 22 N 0.89 0.40 -0.10 1.25 0.87 -2.00 -0.39 113.55 114.47 2x2g h SER 22 Ca 0.21 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 2x2g h SER 22 Cb 0.20 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2x2g h SER 22 CO -0.02 0.28 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.00 2x2g h GLU 23 N 0.53 0.53 -0.13 2.24 5.08 -1.93 -1.69 114.58 119.21 2x2g h GLU 23 Ca 0.22 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2x2g h GLU 23 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2x2g h GLU 23 CO -0.14 0.73 0.05 -0.07 -1.00 0.00 0.00 179.01 178.58 2x2g h LEU 24 N 0.47 0.19 -0.71 1.33 3.38 -0.51 -1.73 115.31 117.74 2x2g h LEU 24 Ca 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2x2g h LEU 24 Cb 0.66 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2x2g h LEU 24 CO 0.05 0.30 0.40 0.40 0.09 0.00 0.00 178.44 179.68 2x2g h ILE 25 N 0.06 1.21 -0.45 1.22 2.04 -0.96 -0.21 117.51 120.42 2x2g h ILE 25 Ca 0.04 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.48 2x2g h ILE 25 Cb 0.17 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 2x2g h ILE 25 CO -0.00 0.23 -0.04 0.44 0.00 0.00 0.00 178.15 178.77 2x2g h ASP 26 N 0.97 -0.28 -0.39 1.72 3.32 -1.16 0.27 116.42 120.86 2x2g h ASP 26 Ca 0.25 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2x2g h ASP 26 Cb 0.02 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2x2g h ASP 26 CO -0.04 -0.10 0.19 0.25 -1.72 0.00 0.00 179.24 177.82 2x2g h LEU 27 N 0.06 0.51 -0.03 1.55 5.85 -0.48 -1.92 115.31 120.86 2x2g h LEU 27 Ca 0.22 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2x2g h LEU 27 Cb 0.33 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2x2g h LEU 27 CO -0.41 0.49 0.02 -0.26 -0.34 0.00 0.00 178.44 177.94 2x2g h PHE 28 N 0.50 0.04 -0.69 1.25 0.04 -0.58 -2.42 116.94 115.08 2x2g h PHE 28 Ca 0.14 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.04 2x2g h PHE 28 Cb 0.11 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 2x2g h PHE 28 CO -0.01 0.03 0.46 -0.91 -0.60 0.00 0.00 178.31 177.27 2x2g h ASN 29 N 0.04 0.37 0.30 2.17 2.35 -0.26 -1.21 115.58 119.34 2x2g h ASN 29 Ca 0.01 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2x2g h ASN 29 Cb -0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2x2g h ASN 29 CO -0.00 0.20 -0.20 -1.54 -1.65 0.00 0.00 177.43 174.24 2x2g n SER 30 N -4.47 0.78 -4.57 5.81 3.41 -0.74 -4.82 113.62 109.01 2x2g n SER 30 Ca 0.12 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.58 2x2g n SER 30 Cb 0.47 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2x2g n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x2g s THR 31 N -2.51 4.74 -0.01 6.66 2.01 -0.46 -5.02 115.64 121.05 2x2g s THR 31 Ca 0.26 0.74 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 2x2g s THR 31 Cb 0.19 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2x2g s THR 31 CO 0.51 -0.47 1.37 -0.44 -0.69 0.00 0.00 174.62 174.90 2x2g s SER 32 N 1.89 6.88 -0.32 3.53 0.01 -1.26 -5.00 113.70 119.44 2x2g s SER 32 Ca 0.30 2.06 -0.02 0.00 1.31 0.00 0.00 55.95 59.59 2x2g s SER 32 Cb -0.13 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.60 2x2g s SER 32 CO 0.18 -0.70 0.03 -0.63 0.41 0.00 0.00 173.24 172.52 2x2g s ILE 33 N 2.43 3.02 0.09 1.44 1.01 -1.26 -5.00 121.20 122.93 2x2g s ILE 33 Ca 0.62 -1.50 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 2x2g s ILE 33 Cb -0.30 -2.80 -0.27 0.00 0.01 0.00 0.00 42.46 39.11 2x2g s ILE 33 CO 0.25 -0.20 1.17 0.78 0.00 0.00 0.00 174.94 176.95 2x2g h ASN 34 N 8.00 0.41 -3.29 3.58 2.35 -2.00 -3.47 115.58 121.17 2x2g h ASN 34 Ca -0.19 -0.43 -0.46 0.00 -0.55 0.00 0.00 56.30 54.67 2x2g h ASN 34 Cb 1.06 -0.13 0.05 0.00 0.05 0.00 0.00 38.32 39.35 2x2g h ASN 34 CO 0.55 1.32 0.10 -1.38 -1.65 0.00 0.00 177.43 176.37 2x2g s HIS 35 N -2.74 3.08 -0.38 1.19 -3.43 -1.26 -5.00 115.29 106.74 2x2g s HIS 35 Ca -0.04 0.39 -0.29 0.00 -0.80 0.00 0.00 55.06 54.32 2x2g s HIS 35 Cb 0.07 -2.78 0.02 0.00 -1.43 0.00 0.00 32.58 28.46 2x2g s HIS 35 CO 0.88 -0.90 1.21 0.34 -2.00 0.00 0.00 174.74 174.27 2x2g s ASP 36 N -4.37 6.67 -0.23 7.38 2.15 -1.26 -4.97 116.67 122.03 2x2g s ASP 36 Ca 0.55 0.86 -0.17 0.00 0.43 0.00 0.00 52.55 54.22 2x2g s ASP 36 Cb -0.10 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.04 2x2g s ASP 36 CO 0.42 -1.15 0.60 0.54 -0.17 0.00 0.00 175.17 175.41 2x2g s VAL 37 N 4.41 -0.00 -0.24 1.11 0.11 -1.26 -4.28 120.40 120.24 2x2g s VAL 37 Ca 0.52 0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 59.39 2x2g s VAL 37 Cb -0.12 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2x2g s VAL 37 CO 0.26 0.01 0.59 -1.58 -3.33 0.00 0.00 175.10 171.04 2x2g s GLN 38 N 0.90 4.13 -0.05 1.54 2.00 -0.38 -4.92 119.66 122.88 2x2g s GLN 38 Ca -0.05 0.50 -0.03 0.00 -2.00 0.00 0.00 55.36 53.78 2x2g s GLN 38 Cb -0.05 -3.62 -0.04 0.00 0.80 0.00 0.00 33.01 30.10 2x2g s GLN 38 CO -0.08 -0.33 0.10 0.00 -0.50 0.00 0.00 175.29 174.49 2x2g s VAL 40 N -1.11 0.58 -0.27 0.00 1.01 0.24 -0.26 120.40 120.59 2x2g s VAL 40 Ca 0.19 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2x2g s VAL 40 Cb -0.12 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.77 2x2g s VAL 40 CO 0.10 0.20 -0.06 -0.69 0.00 0.00 0.00 175.10 174.64 2x2g s VAL 41 N 0.32 2.54 -0.19 2.92 1.01 -0.16 -0.82 120.40 126.03 2x2g s VAL 41 Ca -0.04 -1.49 -0.20 0.00 0.00 0.00 0.00 61.98 60.24 2x2g s VAL 41 Cb -0.09 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2x2g s VAL 41 CO 0.00 -0.04 0.59 0.00 0.00 0.00 0.00 175.10 175.65 2x2g s ALA 42 N 1.18 3.53 0.23 5.51 0.00 0.13 -0.66 121.76 131.67 2x2g s ALA 42 Ca -0.07 -0.29 0.10 0.00 0.00 0.00 0.00 51.96 51.70 2x2g s ALA 42 Cb -0.20 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2x2g s ALA 42 CO -0.03 -0.47 -0.07 0.45 0.00 0.00 0.00 175.76 175.63 2x2g s SER 43 N 1.14 4.27 0.64 0.00 0.15 0.13 -1.53 113.70 118.50 2x2g s SER 43 Ca 0.28 -0.68 -0.11 0.00 0.70 0.00 0.00 55.95 56.14 2x2g s SER 43 Cb -0.16 -0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 2x2g s SER 43 CO 0.10 0.05 1.04 0.42 1.20 0.00 0.00 173.24 176.06 2x2g s THR 44 N -2.09 4.42 0.25 6.45 -4.23 -1.26 -3.90 115.64 115.28 2x2g s THR 44 Ca 0.28 0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 61.54 2x2g s THR 44 Cb -0.07 -3.75 0.23 0.00 1.34 0.00 0.00 72.50 70.25 2x2g s THR 44 CO 0.17 -1.03 1.70 0.15 -0.54 0.00 0.00 174.62 175.07 2x2g h PHE 45 N -0.43 0.35 -0.77 3.99 3.57 -1.97 -2.08 116.94 119.60 2x2g h PHE 45 Ca -0.44 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.04 2x2g h PHE 45 Cb 1.20 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 2x2g h PHE 45 CO 0.63 -0.05 0.27 -0.39 -2.23 0.00 0.00 178.31 176.54 2x2g h VAL 46 N 0.32 1.26 -0.03 1.41 -1.51 -2.05 -2.28 116.25 113.37 2x2g h VAL 46 Ca 0.42 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2x2g h VAL 46 Cb 0.70 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2x2g h VAL 46 CO -0.48 0.35 0.00 1.41 -1.23 0.00 0.00 177.57 177.62 2x2g n HIS 47 N -4.26 0.03 0.39 5.19 8.25 -0.81 -4.37 115.22 119.64 2x2g n HIS 47 Ca 0.07 -0.02 -0.17 0.00 -0.26 0.00 0.00 57.72 57.34 2x2g n HIS 47 Cb 0.21 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.24 2x2g n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x2g h LEU 48 N 0.80 -0.85 -1.48 2.41 3.38 -1.09 -0.33 115.31 118.15 2x2g h LEU 48 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2x2g h LEU 48 Cb 0.17 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2x2g h LEU 48 CO 0.00 -0.53 0.38 0.00 0.09 0.00 0.00 178.44 178.38 2x2g h ALA 49 N -0.99 1.69 0.05 1.53 0.00 -1.77 0.30 119.26 120.07 2x2g h ALA 49 Ca -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2x2g h ALA 49 Cb 0.79 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2x2g h ALA 49 CO 0.17 0.25 -0.03 1.98 0.00 0.00 0.00 179.25 181.62 2x2g h MET 50 N 0.68 -0.07 -0.66 0.00 1.85 -1.81 -1.20 114.93 113.73 2x2g h MET 50 Ca 0.23 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.38 2x2g h MET 50 Cb 0.07 0.02 -0.06 0.00 0.43 0.00 0.00 31.60 32.06 2x2g h MET 50 CO -0.06 0.40 0.36 1.15 -0.40 0.00 0.00 176.91 178.36 2x2g h THR 51 N -0.57 0.96 -0.80 -0.77 2.02 -0.63 -0.27 112.91 112.86 2x2g h THR 51 Ca -0.01 -0.23 0.10 0.00 0.77 0.00 0.00 66.41 67.05 2x2g h THR 51 Cb 0.50 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 2x2g h THR 51 CO 0.01 0.12 0.44 0.50 0.37 0.00 0.00 175.52 176.96 2x2g h LYS 52 N 0.66 0.70 0.00 6.66 1.63 -0.36 0.26 116.57 126.12 2x2g h LYS 52 Ca 0.30 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2x2g h LYS 52 Cb 0.19 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2x2g h LYS 52 CO -0.19 0.46 -0.63 1.05 -3.45 0.00 0.00 179.45 176.70 2x2g h GLU 53 N 0.72 0.00 0.01 1.90 4.11 -0.53 -3.39 114.58 117.41 2x2g h GLU 53 Ca 0.39 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.42 2x2g h GLU 53 Cb 0.40 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2x2g h GLU 53 CO -0.27 0.00 -2.36 0.54 0.07 0.00 0.00 179.01 176.99 2x2g n ARG 54 N -2.82 0.64 -2.41 1.06 5.12 -0.18 -4.85 116.66 113.22 2x2g n ARG 54 Ca 0.02 0.23 -0.43 0.00 -1.93 0.00 0.00 57.85 55.74 2x2g n ARG 54 Cb 0.54 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 2x2g n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2x2g s LEU 55 N -7.00 3.78 0.00 0.55 2.96 0.87 -4.82 118.68 115.02 2x2g s LEU 55 Ca -0.34 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2x2g s LEU 55 Cb 0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.25 2x2g s LEU 55 CO 0.58 -1.19 0.38 -1.54 -1.32 0.00 0.00 176.35 173.26 2x2g n SER 56 N 7.99 0.75 -4.66 3.68 3.41 -1.26 -4.83 113.62 118.70 2x2g n SER 56 Ca 0.15 -0.91 -0.42 0.00 -0.26 0.00 0.00 58.87 57.43 2x2g n SER 56 Cb 0.47 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 2x2g n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2x2g s HIS 57 N -0.14 1.58 -0.97 7.33 5.04 -1.26 -4.84 115.29 122.03 2x2g s HIS 57 Ca 0.00 -0.19 0.17 0.00 -1.54 0.00 0.00 55.06 53.50 2x2g s HIS 57 Cb 0.00 -4.11 0.70 0.00 0.04 0.00 0.00 32.58 29.21 2x2g s HIS 57 CO 0.00 -4.86 1.53 -0.35 -2.34 0.00 0.00 174.74 168.72 2x2g n PRO 58 N 7.33 0.01 0.00 2.88 -0.04 -1.26 -1.08 135.00 142.85 2x2g n PRO 58 Ca 0.19 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 2x2g n PRO 58 Cb 0.42 -1.52 0.58 0.00 -0.04 0.00 0.00 33.50 32.94 2x2g n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2x2g n LYS 59 N -1.55 1.50 -4.16 0.54 5.02 -1.26 -4.84 118.16 113.42 2x2g n LYS 59 Ca 0.04 -0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 55.21 2x2g n LYS 59 Cb 0.19 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.64 2x2g n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x2g s PHE 60 N -2.04 3.29 0.20 2.13 0.40 -0.24 -0.48 117.98 121.25 2x2g s PHE 60 Ca 0.39 0.25 0.09 0.00 -0.60 0.00 0.00 56.93 57.06 2x2g s PHE 60 Cb 0.21 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 2x2g s PHE 60 CO 0.35 0.55 -0.17 0.14 0.70 0.00 0.00 175.22 176.79 2x2g s VAL 61 N -1.06 1.91 -0.05 -0.44 -7.23 0.64 -4.88 120.40 109.28 2x2g s VAL 61 Ca 0.18 -2.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.14 2x2g s VAL 61 Cb -0.12 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 2x2g s VAL 61 CO 0.08 -0.44 0.26 -0.63 -0.31 0.00 0.00 175.10 174.06 2x2g s ILE 62 N -2.48 5.31 0.06 -0.62 1.01 -1.26 -0.99 121.20 122.22 2x2g s ILE 62 Ca 0.21 0.40 0.09 0.00 0.00 0.00 0.00 60.65 61.35 2x2g s ILE 62 Cb -0.04 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2x2g s ILE 62 CO 0.08 0.55 -0.26 0.00 0.00 0.00 0.00 174.94 175.31 2x2g s ALA 63 N -1.11 2.19 0.89 9.38 0.00 0.16 -3.77 121.76 129.51 2x2g s ALA 63 Ca 0.21 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 2x2g s ALA 63 Cb -0.14 -0.44 0.19 0.00 0.00 0.00 0.00 23.12 22.73 2x2g s ALA 63 CO 0.10 0.51 1.22 0.00 0.00 0.00 0.00 175.76 177.59 2x2g s ALA 64 N -0.84 2.77 -0.01 0.00 0.00 -0.39 -0.69 121.76 122.60 2x2g s ALA 64 Ca 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2x2g s ALA 64 Cb -0.10 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2x2g s ALA 64 CO 0.03 -2.16 -0.00 -0.65 0.00 0.00 0.00 175.76 172.98 2x2g s GLN 65 N -5.64 0.13 0.00 0.00 -0.21 -1.25 -1.27 119.66 111.42 2x2g s GLN 65 Ca 0.72 0.02 0.00 0.00 0.02 0.00 0.00 55.36 56.12 2x2g s GLN 65 Cb -0.04 -0.22 0.00 0.00 1.00 0.00 0.00 33.01 33.76 2x2g s GLN 65 CO 0.50 -0.04 0.00 0.09 -2.12 0.00 0.00 175.29 173.72 2x2g n ASN 66 N 3.48 0.00 -4.64 5.90 5.03 -0.39 -4.93 115.26 119.71 2x2g n ASN 66 Ca -0.18 0.00 -0.47 0.00 0.87 0.00 0.00 54.58 54.80 2x2g n ASN 66 Cb 0.56 -1.13 -0.04 0.00 -1.02 0.00 0.00 39.78 38.16 2x2g n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x2g n ALA 67 N 0.87 0.54 -0.40 5.41 0.00 -1.26 -4.84 120.51 120.84 2x2g n ALA 67 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2x2g n ALA 67 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2x2g n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x2g n GLY 68 N 2.50 0.09 3.75 0.00 0.00 -1.26 -4.95 105.19 105.32 2x2g n GLY 68 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2x2g n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x2g s ASN 69 N -0.11 6.41 0.17 1.61 3.84 -1.26 -4.93 114.94 120.66 2x2g s ASN 69 Ca 0.00 0.47 -0.14 0.00 0.21 0.00 0.00 52.86 53.40 2x2g s ASN 69 Cb 0.00 -2.16 0.14 0.00 -0.55 0.00 0.00 41.25 38.68 2x2g s ASN 69 CO 0.00 0.16 1.73 0.00 -2.79 0.00 0.00 177.10 176.20 2x2g h ALA 70 N 6.39 0.50 -0.81 1.71 0.00 -1.97 0.27 119.26 125.35 2x2g h ALA 70 Ca -0.43 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2x2g h ALA 70 Cb 1.17 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2x2g h ALA 70 CO 0.73 -0.30 0.47 -0.44 0.00 0.00 0.00 179.25 179.72 2x2g h ASP 71 N 0.24 0.99 -0.39 0.00 5.19 -1.98 0.14 116.42 120.60 2x2g h ASP 71 Ca 0.22 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.50 2x2g h ASP 71 Cb 0.26 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 2x2g h ASP 71 CO -0.27 0.77 0.05 0.00 -3.12 0.00 0.00 179.24 176.67 2x2g h ALA 72 N 1.25 0.52 -0.33 3.45 0.00 -1.74 -0.15 119.26 122.26 2x2g h ALA 72 Ca 0.29 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2x2g h ALA 72 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2x2g h ALA 72 CO -0.05 0.25 0.17 -0.07 0.00 0.00 0.00 179.25 179.55 2x2g h LEU 80 N 0.50 0.26 -0.91 0.00 3.38 -0.13 -1.21 115.31 117.20 2x2g h LEU 80 Ca 0.12 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2x2g h LEU 80 Cb 0.39 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2x2g h LEU 80 CO 0.01 0.19 0.59 0.00 0.09 0.00 0.00 178.44 179.33 2x2g h ALA 81 N 1.16 1.18 -0.57 1.53 0.00 -0.47 -1.28 119.26 120.81 2x2g h ALA 81 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2x2g h ALA 81 Cb 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2x2g h ALA 81 CO -0.09 0.49 0.11 1.03 0.00 0.00 0.00 179.25 180.79 2x2g h SER 82 N 1.17 0.89 -0.40 0.00 0.87 -0.62 -1.05 113.55 114.41 2x2g h SER 82 Ca 0.35 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2x2g h SER 82 Cb -0.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 2x2g h SER 82 CO -0.10 0.92 0.26 -0.07 -0.53 0.00 0.00 176.83 177.31 2x2g h LEU 83 N 0.83 0.47 -0.69 2.23 3.38 -0.78 0.54 115.31 121.28 2x2g h LEU 83 Ca 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2x2g h LEU 83 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2x2g h LEU 83 CO 0.01 0.35 0.43 0.50 0.09 0.00 0.00 178.44 179.81 2x2g h LYS 84 N 0.54 0.94 -0.17 1.13 1.63 -1.06 0.14 116.57 119.71 2x2g h LYS 84 Ca 0.15 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2x2g h LYS 84 Cb -0.05 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 2x2g h LYS 84 CO -0.03 0.66 -0.02 0.22 -3.45 0.00 0.00 179.45 176.83 2x2g h ASP 85 N 0.94 0.22 0.34 4.20 3.58 -0.68 -0.77 116.42 124.26 2x2g h ASP 85 Ca 0.25 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2x2g h ASP 85 Cb -0.04 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2x2g h ASP 85 CO -0.05 0.29 0.00 0.33 -2.88 0.00 0.00 179.24 176.93 2x2g n PHE 86 N -4.37 0.00 -0.32 0.28 7.35 0.14 -4.86 117.46 115.67 2x2g n PHE 86 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2x2g n PHE 86 Cb 0.19 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2x2g n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x2g n GLY 87 N 1.02 0.82 3.61 7.13 0.00 -0.29 -5.06 105.19 112.42 2x2g n GLY 87 Ca 0.17 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2x2g n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x2g s VAL 88 N -2.00 5.32 -0.03 1.61 1.01 -0.12 -4.92 120.40 121.27 2x2g s VAL 88 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2x2g s VAL 88 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2x2g s VAL 88 CO 0.00 0.28 0.29 0.59 0.00 0.00 0.00 175.10 176.26 2x2g n ASN 89 N 4.85 0.58 -4.44 3.32 5.03 -1.26 -3.38 115.26 119.96 2x2g n ASN 89 Ca -0.14 -0.79 -0.25 0.00 0.87 0.00 0.00 54.58 54.27 2x2g n ASN 89 Cb 0.52 0.44 -0.11 0.00 -1.02 0.00 0.00 39.78 39.61 2x2g n ASN 89 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2x2g s TRP 90 N -0.47 2.26 -0.16 3.10 0.52 -1.25 0.16 118.94 123.09 2x2g s TRP 90 Ca 0.00 -0.36 -0.22 0.00 0.02 0.00 0.00 56.10 55.55 2x2g s TRP 90 Cb 0.00 -1.04 0.06 0.00 -1.15 0.00 0.00 33.47 31.34 2x2g s TRP 90 CO 0.01 0.60 0.57 -1.50 0.02 0.00 0.00 176.95 176.65 2x2g s ILE 91 N -2.16 0.01 -0.15 2.03 2.07 -0.58 -1.26 121.20 121.15 2x2g s ILE 91 Ca 0.25 -0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.38 2x2g s ILE 91 Cb -0.06 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 2x2g s ILE 91 CO 0.12 -0.03 0.04 -0.69 -1.91 0.00 0.00 174.94 172.48 2x2g s VAL 92 N -0.17 4.63 0.04 4.00 1.01 -0.39 -0.70 120.40 128.81 2x2g s VAL 92 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2x2g s VAL 92 Cb -0.03 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2x2g s VAL 92 CO 0.03 0.51 -0.07 -0.76 0.00 0.00 0.00 175.10 174.81 2x2g s LEU 93 N -0.00 2.25 0.00 3.92 1.43 -0.12 -1.26 118.68 124.91 2x2g s LEU 93 Ca 0.05 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2x2g s LEU 93 Cb -0.12 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.97 2x2g s LEU 93 CO 0.01 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.98 2x2g n GLY 94 N 1.49 0.58 3.65 -3.19 0.00 -1.26 -0.48 105.19 105.98 2x2g n GLY 94 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2x2g n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x2g n HIS 95 N -2.83 1.32 -0.37 1.61 -0.00 -1.26 -4.44 115.22 109.25 2x2g n HIS 95 Ca 0.00 0.45 -0.02 0.00 0.46 0.00 0.00 57.72 58.61 2x2g n HIS 95 Cb 0.00 -2.22 0.02 0.00 -0.12 0.00 0.00 29.99 27.67 2x2g n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2x2g h SER 96 N 0.93 -1.49 -0.12 0.26 4.64 -1.94 0.24 113.55 116.07 2x2g h SER 96 Ca -0.48 0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 2x2g h SER 96 Cb 1.34 0.76 -0.00 0.00 -0.31 0.00 0.00 62.40 64.19 2x2g h SER 96 CO 0.54 -0.29 0.10 1.05 -0.87 0.00 0.00 176.83 177.36 2x2g h GLU 97 N -0.02 0.00 -0.55 4.77 9.09 -1.97 0.11 114.58 126.01 2x2g h GLU 97 Ca 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.69 2x2g h GLU 97 Cb 0.58 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.65 2x2g h GLU 97 CO -0.96 0.00 0.19 0.00 0.05 0.00 0.00 179.01 178.29 2x2g h ARG 98 N 0.00 0.82 0.01 1.06 2.47 -0.83 0.81 114.38 118.71 2x2g h ARG 98 Ca 0.06 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.57 2x2g h ARG 98 Cb 0.25 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2x2g h ARG 98 CO -0.00 0.70 -0.36 0.00 0.56 0.00 0.00 179.97 180.87 2x2g h ARG 99 N 0.80 0.01 0.00 0.04 3.08 -0.89 0.37 114.38 117.80 2x2g h ARG 99 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2x2g h ARG 99 Cb 0.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2x2g h ARG 99 CO -0.01 1.01 -0.56 0.11 -1.07 0.00 0.00 179.97 179.45 2x2g h TRP 100 N -0.97 0.00 0.00 3.04 5.08 -0.98 -3.24 115.95 118.88 2x2g h TRP 100 Ca -0.10 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.80 2x2g h TRP 100 Cb 1.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.26 2x2g h TRP 100 CO 0.23 0.00 -0.89 0.98 -1.28 0.00 0.00 178.44 177.48 2x2g n TYR 101 N -2.38 0.00 0.70 0.12 9.36 0.17 -4.75 117.16 120.38 2x2g n TYR 101 Ca 0.03 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.38 2x2g n TYR 101 Cb 0.47 -0.21 0.47 0.00 -0.63 0.00 0.00 39.34 39.44 2x2g n TYR 101 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2x2g n TYR 102 N -3.55 0.59 -0.92 2.98 4.01 -0.55 -4.92 117.16 114.81 2x2g n TYR 102 Ca -0.10 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2x2g n TYR 102 Cb 0.39 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 2x2g n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x2g n GLY 103 N 1.13 0.48 3.61 2.72 0.00 -0.73 -4.98 105.19 107.42 2x2g n GLY 103 Ca 0.05 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2x2g n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x2g s GLU 104 N -1.86 3.61 0.88 1.61 2.02 0.12 -4.97 118.70 120.13 2x2g s GLU 104 Ca 0.00 1.32 -0.12 0.00 0.02 0.00 0.00 54.97 56.19 2x2g s GLU 104 Cb 0.00 -4.06 0.12 0.00 0.10 0.00 0.00 34.13 30.29 2x2g s GLU 104 CO 0.00 -1.52 1.16 0.95 0.02 0.00 0.00 175.26 175.87 2x2g s THR 105 N 5.65 1.99 0.28 3.63 -4.23 -1.26 -4.19 115.64 117.51 2x2g s THR 105 Ca 0.69 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 2x2g s THR 105 Cb -0.20 -2.84 0.28 0.00 1.34 0.00 0.00 72.50 71.08 2x2g s THR 105 CO 0.31 0.00 1.78 0.78 -0.54 0.00 0.00 174.62 176.95 2x2g h ASN 106 N -1.37 0.72 -0.28 3.99 2.35 -1.94 -0.79 115.58 118.27 2x2g h ASN 106 Ca -0.49 0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.18 2x2g h ASN 106 Cb 1.33 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2x2g h ASN 106 CO 0.62 0.30 -0.50 -0.33 -1.65 0.00 0.00 177.43 175.87 2x2g h GLU 107 N 0.76 0.84 -0.38 0.81 3.07 -1.91 -0.00 114.58 117.76 2x2g h GLU 107 Ca 0.52 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2x2g h GLU 107 Cb 0.73 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 2x2g h GLU 107 CO -0.35 1.16 0.20 0.82 -1.40 0.00 0.00 179.01 179.44 2x2g h ILE 108 N 0.61 1.15 -0.17 3.13 2.04 -1.76 0.22 117.51 122.73 2x2g h ILE 108 Ca 0.02 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 2x2g h ILE 108 Cb 1.11 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2x2g h ILE 108 CO 0.11 0.15 0.10 0.58 0.00 0.00 0.00 178.15 179.09 2x2g h VAL 109 N 0.48 1.10 -0.53 1.67 2.07 -1.10 -0.73 116.25 119.20 2x2g h VAL 109 Ca 0.13 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2x2g h VAL 109 Cb 0.06 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2x2g h VAL 109 CO -0.02 0.09 0.08 0.00 0.02 0.00 0.00 177.57 177.74 2x2g h ALA 110 N 0.99 0.59 -0.83 1.67 0.00 -0.73 0.11 119.26 121.07 2x2g h ALA 110 Ca 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2x2g h ALA 110 Cb 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2x2g h ALA 110 CO -0.01 -0.33 0.48 -0.44 0.00 0.00 0.00 179.25 178.95 2x2g h ASP 111 N 0.21 1.00 -0.41 0.00 3.32 -0.11 -0.48 116.42 119.96 2x2g h ASP 111 Ca 0.27 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 2x2g h ASP 111 Cb 0.39 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2x2g h ASP 111 CO -0.37 0.79 -0.08 0.11 -1.72 0.00 0.00 179.24 177.96 2x2g h LYS 112 N 1.15 0.77 -0.26 3.56 1.57 -0.30 -0.06 116.57 123.00 2x2g h LYS 112 Ca 0.29 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2x2g h LYS 112 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2x2g h LYS 112 CO -0.05 0.90 0.16 0.28 -0.57 0.00 0.00 179.45 180.17 2x2g h VAL 113 N 0.59 1.05 -0.53 0.50 2.07 -0.41 0.50 116.25 120.02 2x2g h VAL 113 Ca 0.10 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2x2g h VAL 113 Cb 0.60 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2x2g h VAL 113 CO 0.04 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.91 2x2g h ALA 114 N 1.10 0.69 -0.52 1.67 0.00 -0.99 -0.18 119.26 121.02 2x2g h ALA 114 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2x2g h ALA 114 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2x2g h ALA 114 CO -0.03 0.30 0.30 0.00 0.00 0.00 0.00 179.25 179.81 2x2g h ALA 115 N 1.06 0.67 -0.55 0.00 0.00 -0.76 -0.14 119.26 119.54 2x2g h ALA 115 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2x2g h ALA 115 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2x2g h ALA 115 CO -0.02 0.17 0.13 0.00 0.00 0.00 0.00 179.25 179.54 2x2g h ALA 116 N 1.13 0.72 -0.10 0.00 0.00 -0.58 -1.31 119.26 119.12 2x2g h ALA 116 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x2g h ALA 116 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2x2g h ALA 116 CO -0.03 0.43 0.06 0.28 0.00 0.00 0.00 179.25 179.98 2x2g h VAL 117 N 0.78 1.07 -0.15 0.00 2.07 -0.83 -0.10 116.25 119.09 2x2g h VAL 117 Ca 0.17 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2x2g h VAL 117 Cb 0.34 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2x2g h VAL 117 CO 0.00 0.06 0.15 0.00 0.02 0.00 0.00 177.57 177.80 2x2g h ALA 118 N 0.98 1.84 -0.48 1.67 0.00 -0.81 -1.05 119.26 121.41 2x2g h ALA 118 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2x2g h ALA 118 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2x2g h ALA 118 CO -0.01 -0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.44 2x2g n SER 119 N -3.96 2.94 0.00 0.00 7.64 -0.51 -4.91 113.62 114.81 2x2g n SER 119 Ca 0.01 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.78 2x2g n SER 119 Cb 0.27 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2x2g n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x2g n GLY 120 N 1.15 0.63 3.87 0.23 0.00 -0.40 -4.92 105.19 105.75 2x2g n GLY 120 Ca 0.17 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2x2g n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x2g s PHE 121 N -2.00 3.41 -0.03 1.61 0.40 -0.13 -4.92 117.98 116.32 2x2g s PHE 121 Ca 0.00 1.02 -0.25 0.00 -0.60 0.00 0.00 56.93 57.10 2x2g s PHE 121 Cb 0.00 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 2x2g s PHE 121 CO 0.00 0.15 0.75 -1.64 0.70 0.00 0.00 175.22 175.18 2x2g s MET 122 N -3.04 4.47 -0.17 0.44 -1.94 0.12 -4.43 119.30 114.75 2x2g s MET 122 Ca 0.50 1.00 -0.01 0.00 -1.71 0.00 0.00 55.69 55.47 2x2g s MET 122 Cb -0.11 -3.43 -0.01 0.00 2.01 0.00 0.00 34.83 33.30 2x2g s MET 122 CO 0.21 0.10 -0.10 0.08 -0.01 0.00 0.00 175.02 175.30 2x2g s VAL 123 N 0.63 3.07 -0.52 -6.03 1.01 0.12 -1.52 120.40 117.16 2x2g s VAL 123 Ca 0.40 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 2x2g s VAL 123 Cb -0.19 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 33.92 2x2g s VAL 123 CO 0.21 0.49 0.65 -0.63 0.00 0.00 0.00 175.10 175.81 2x2g s ILE 124 N 0.88 4.85 -0.26 2.22 1.01 0.12 0.29 121.20 130.31 2x2g s ILE 124 Ca -0.03 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2x2g s ILE 124 Cb -0.15 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 2x2g s ILE 124 CO 0.00 -0.87 0.16 0.00 0.00 0.00 0.00 174.94 174.23 2x2g s ALA 125 N 2.68 3.49 -0.04 9.38 0.00 0.13 -0.94 121.76 136.46 2x2g s ALA 125 Ca 0.15 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 2x2g s ALA 125 Cb -0.20 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 2x2g s ALA 125 CO 0.11 -0.41 0.37 0.00 0.00 0.00 0.00 175.76 175.83 2x2g s ILE 127 N -0.77 0.98 0.00 0.00 -4.36 -0.04 -4.56 121.20 112.45 2x2g s ILE 127 Ca 0.22 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 2x2g s ILE 127 Cb -0.16 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.69 2x2g s ILE 127 CO 0.11 -0.72 0.00 0.61 0.24 0.00 0.00 174.94 175.18 2x2g n GLY 128 N -0.18 2.77 3.79 6.27 0.00 -1.26 0.14 105.19 116.73 2x2g n GLY 128 Ca -0.10 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2x2g n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x2g s GLU 129 N -2.00 2.85 0.80 1.61 1.03 -1.25 -4.82 118.70 116.92 2x2g s GLU 129 Ca 0.00 -1.01 -0.11 0.00 0.03 0.00 0.00 54.97 53.88 2x2g s GLU 129 Cb 0.00 -2.56 0.09 0.00 -0.80 0.00 0.00 34.13 30.87 2x2g s GLU 129 CO 0.00 0.43 1.15 0.95 -1.33 0.00 0.00 175.26 176.46 2x2g s THR 130 N -1.98 2.08 0.15 1.83 -4.23 -1.26 -2.04 115.64 110.18 2x2g s THR 130 Ca 0.32 -0.09 -0.21 0.00 -1.18 0.00 0.00 61.69 60.53 2x2g s THR 130 Cb -0.09 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.79 2x2g s THR 130 CO 0.24 0.00 1.66 0.25 -0.54 0.00 0.00 174.62 176.22 2x2g h LEU 131 N -1.00 -0.52 -1.32 4.79 5.85 -1.83 -0.13 115.31 121.15 2x2g h LEU 131 Ca -0.45 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2x2g h LEU 131 Cb 1.31 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 2x2g h LEU 131 CO 0.60 -0.20 0.41 1.56 -0.34 0.00 0.00 178.44 180.47 2x2g h GLN 132 N -0.15 0.86 -0.30 1.25 1.08 -1.95 0.19 115.11 116.10 2x2g h GLN 132 Ca 0.14 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.13 2x2g h GLN 132 Cb 0.35 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2x2g h GLN 132 CO -0.33 0.59 -0.38 0.93 -0.95 0.00 0.00 178.83 178.69 2x2g h GLU 133 N 0.88 0.78 -0.28 1.46 5.08 -1.81 -1.61 114.58 119.09 2x2g h GLU 133 Ca 0.23 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2x2g h GLU 133 Cb -0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2x2g h GLU 133 CO -0.05 1.07 0.04 -0.09 -1.00 0.00 0.00 179.01 178.98 2x2g h ARG 134 N 0.54 0.46 -0.59 2.33 9.65 -0.60 0.31 114.38 126.49 2x2g h ARG 134 Ca 0.04 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 2x2g h ARG 134 Cb 0.97 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.47 2x2g h ARG 134 CO 0.09 0.58 0.23 0.93 2.80 0.00 0.00 179.97 184.60 2x2g h GLU 135 N 0.27 0.86 -0.16 0.20 5.08 -0.59 -1.95 114.58 118.29 2x2g h GLU 135 Ca 0.08 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2x2g h GLU 135 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2x2g h GLU 135 CO 0.01 0.71 0.00 -1.13 -1.00 0.00 0.00 179.01 177.60 2x2g n SER 136 N -4.32 0.87 -0.39 1.42 3.41 -0.61 -4.89 113.62 109.11 2x2g n SER 136 Ca 0.05 -1.98 -0.05 0.00 -0.26 0.00 0.00 58.87 56.63 2x2g n SER 136 Cb 0.17 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 2x2g n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x2g n GLY 137 N 0.77 0.67 1.15 5.00 0.00 -0.73 -4.94 105.19 107.10 2x2g n GLY 137 Ca 0.06 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.31 2x2g n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2g n ARG 138 N -2.67 3.19 -0.09 1.61 1.74 0.11 -4.60 116.66 115.95 2x2g n ARG 138 Ca -0.05 -2.94 -0.06 0.00 -0.77 0.00 0.00 57.85 54.03 2x2g n ARG 138 Cb 0.21 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2x2g n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x2g h THR 139 N 2.12 0.58 0.45 0.55 2.02 -1.82 -1.56 112.91 115.24 2x2g h THR 139 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2x2g h THR 139 Cb 1.62 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2x2g h THR 139 CO 0.32 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 176.00 2x2g h ALA 140 N 1.23 -0.60 -0.86 6.16 0.00 -1.93 0.32 119.26 123.57 2x2g h ALA 140 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2x2g h ALA 140 Cb 0.31 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2x2g h ALA 140 CO -0.37 -0.79 0.43 -0.24 0.00 0.00 0.00 179.25 178.27 2x2g h VAL 141 N -0.69 1.26 0.39 0.00 3.04 -1.87 0.33 116.25 118.71 2x2g h VAL 141 Ca -0.06 -0.72 -0.02 0.00 -1.01 0.00 0.00 66.70 64.89 2x2g h VAL 141 Cb 0.51 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 2x2g h VAL 141 CO 0.10 0.31 -0.19 0.58 -1.01 0.00 0.00 177.57 177.37 2x2g h VAL 142 N 1.23 0.61 -0.33 1.51 2.07 -1.21 -1.50 116.25 118.63 2x2g h VAL 142 Ca 0.30 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2x2g h VAL 142 Cb 0.10 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2x2g h VAL 142 CO -0.04 0.06 0.12 0.58 0.02 0.00 0.00 177.57 178.32 2x2g h VAL 143 N -0.71 1.19 -0.21 2.57 2.07 -0.77 -1.52 116.25 118.86 2x2g h VAL 143 Ca -0.05 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 2x2g h VAL 143 Cb 0.50 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2x2g h VAL 143 CO 0.09 0.21 -0.40 -0.07 0.02 0.00 0.00 177.57 177.42 2x2g h LEU 144 N 0.39 0.52 -1.13 2.57 3.38 -1.02 -2.18 115.31 117.84 2x2g h LEU 144 Ca 0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2x2g h LEU 144 Cb 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2x2g h LEU 144 CO -0.01 0.87 0.21 0.74 0.09 0.00 0.00 178.44 180.34 2x2g h THR 145 N 0.41 1.21 -0.27 0.22 2.02 -1.05 0.17 112.91 115.62 2x2g h THR 145 Ca 0.04 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 2x2g h THR 145 Cb 0.88 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2x2g h THR 145 CO 0.07 0.26 0.09 1.56 0.37 0.00 0.00 175.52 177.87 2x2g h GLN 146 N 0.80 0.41 0.00 6.66 4.20 -0.78 -1.83 115.11 124.57 2x2g h GLN 146 Ca 0.19 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 2x2g h GLN 146 Cb 0.18 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2x2g h GLN 146 CO -0.01 0.47 -0.67 0.97 -0.67 0.00 0.00 178.83 178.92 2x2g h ILE 147 N 0.27 1.39 -0.51 2.54 2.10 -1.26 -2.68 117.51 119.36 2x2g h ILE 147 Ca 0.09 -2.38 -0.04 0.00 1.08 0.00 0.00 64.86 63.60 2x2g h ILE 147 Cb 0.23 2.32 -0.02 0.00 -1.09 0.00 0.00 36.82 38.25 2x2g h ILE 147 CO -0.00 0.66 0.14 0.00 -1.08 0.00 0.00 178.15 177.87 2x2g h ALA 148 N 1.33 1.31 -0.62 0.18 0.00 -0.52 0.25 119.26 121.19 2x2g h ALA 148 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2x2g h ALA 148 Cb 1.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2x2g h ALA 148 CO 0.09 0.50 0.15 0.00 0.00 0.00 0.00 179.25 179.99 2x2g h ALA 149 N 1.42 0.82 -0.20 0.00 0.00 -1.16 -1.29 119.26 118.86 2x2g h ALA 149 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2x2g h ALA 149 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2x2g h ALA 149 CO -0.01 0.53 0.04 0.82 0.00 0.00 0.00 179.25 180.63 2x2g h ILE 150 N 0.91 1.21 -0.62 0.00 2.04 -1.05 -3.10 117.51 116.90 2x2g h ILE 150 Ca 0.20 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.37 2x2g h ILE 150 Cb 0.35 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2x2g h ILE 150 CO 0.00 0.22 0.41 0.00 0.00 0.00 0.00 178.15 178.78 2x2g h ALA 151 N 0.85 1.58 -0.19 1.87 0.00 -0.32 -2.38 119.26 120.66 2x2g h ALA 151 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2x2g h ALA 151 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2x2g h ALA 151 CO 0.00 0.38 0.13 -0.22 0.00 0.00 0.00 179.25 179.55 2x2g h LYS 152 N 0.82 0.06 -0.02 0.00 3.64 -1.16 -0.57 116.57 119.35 2x2g h LYS 152 Ca 0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2x2g h LYS 152 Cb -0.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2x2g h LYS 152 CO -0.05 0.04 -0.06 1.63 -2.27 0.00 0.00 179.45 178.74 2x2g n LYS 153 N -4.49 1.84 -4.31 1.90 4.76 -0.90 -4.93 118.16 112.02 2x2g n LYS 153 Ca 0.01 -1.33 -0.25 0.00 -2.87 0.00 0.00 58.31 53.87 2x2g n LYS 153 Cb 0.22 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.85 2x2g n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x2g s LEU 154 N -2.08 3.01 0.29 -0.35 1.43 -0.22 -4.81 118.68 115.95 2x2g s LEU 154 Ca 0.31 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 2x2g s LEU 154 Cb 0.20 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 2x2g s LEU 154 CO 0.35 0.06 0.26 -1.59 0.23 0.00 0.00 176.35 175.66 2x2g s LYS 155 N -3.20 2.89 0.23 1.70 -2.85 -1.26 -4.95 119.74 112.30 2x2g s LYS 155 Ca 0.28 -1.13 -0.08 0.00 -1.00 0.00 0.00 55.97 54.04 2x2g s LYS 155 Cb -0.08 -2.56 0.37 0.00 -2.06 0.00 0.00 37.83 33.50 2x2g s LYS 155 CO 0.17 0.26 1.67 -0.22 0.10 0.00 0.00 175.35 177.34 2x2g h LYS 156 N 1.34 0.18 -0.05 1.78 3.64 -1.95 0.86 116.57 122.37 2x2g h LYS 156 Ca -0.47 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2x2g h LYS 156 Cb 1.25 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2x2g h LYS 156 CO 0.59 0.12 0.07 0.00 -2.27 0.00 0.00 179.45 177.96 2x2g h ALA 157 N 1.58 1.52 0.00 5.00 0.00 -2.00 -1.79 119.26 123.57 2x2g h ALA 157 Ca 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2x2g h ALA 157 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2x2g h ALA 157 CO -0.52 -0.10 -0.08 -0.44 0.00 0.00 0.00 179.25 178.12 2x2g h ASP 158 N 0.00 0.00 0.66 0.00 3.32 -1.21 -2.91 116.42 116.27 2x2g h ASP 158 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2x2g h ASP 158 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2x2g h ASP 158 CO -0.00 0.08 0.00 -0.50 -1.72 0.00 0.00 179.24 177.10 2x2g h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.43 0.16 115.95 123.30 2x2g h TRP 159 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2x2g h TRP 159 Cb 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 2x2g h TRP 159 CO 0.00 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 174.86 2x2g h ALA 160 N 2.11 1.24 -0.32 1.49 0.00 -1.72 -1.77 119.26 120.29 2x2g h ALA 160 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x2g h ALA 160 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2x2g h ALA 160 CO 0.00 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.91 2x2g n LYS 161 N -3.47 2.20 -4.61 0.00 4.76 0.57 -4.96 118.16 112.65 2x2g n LYS 161 Ca -0.03 -2.00 -0.34 0.00 -2.87 0.00 0.00 58.31 53.08 2x2g n LYS 161 Cb 0.12 -1.38 -0.12 0.00 -1.84 0.00 0.00 35.03 31.82 2x2g n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x2g s VAL 162 N -1.17 3.68 -0.05 -0.18 1.01 -0.67 0.12 120.40 123.14 2x2g s VAL 162 Ca 0.29 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2x2g s VAL 162 Cb 0.17 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2x2g s VAL 162 CO 0.23 0.58 -0.13 -0.69 0.00 0.00 0.00 175.10 175.09 2x2g s VAL 163 N -0.60 1.18 -0.18 2.92 1.01 0.15 -4.57 120.40 120.31 2x2g s VAL 163 Ca 0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2x2g s VAL 163 Cb -0.12 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2x2g s VAL 163 CO 0.02 0.36 0.13 -0.63 0.00 0.00 0.00 175.10 174.97 2x2g s ILE 164 N 0.35 5.41 -0.24 2.22 -1.09 -0.57 0.18 121.20 127.46 2x2g s ILE 164 Ca -0.09 0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.46 2x2g s ILE 164 Cb -0.13 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2x2g s ILE 164 CO 0.03 0.48 0.01 0.00 -1.23 0.00 0.00 174.94 174.23 2x2g s ALA 165 N 0.03 2.98 -0.26 9.38 0.00 -0.02 -0.09 121.76 133.79 2x2g s ALA 165 Ca 0.09 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 2x2g s ALA 165 Cb -0.11 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2x2g s ALA 165 CO -0.01 -0.46 0.65 -0.47 0.00 0.00 0.00 175.76 175.47 2x2g s TYR 166 N 1.55 3.27 -0.36 0.00 5.04 0.91 -0.86 117.35 126.90 2x2g s TYR 166 Ca 0.06 0.80 -0.04 0.00 -2.44 0.00 0.00 57.07 55.46 2x2g s TYR 166 Cb -0.15 -2.90 0.08 0.00 0.35 0.00 0.00 41.96 39.34 2x2g s TYR 166 CO 0.00 -0.37 0.12 -1.21 -1.34 0.00 0.00 175.55 172.76 2x2g s GLU 167 N 2.57 2.30 -1.10 4.97 2.02 0.12 0.10 118.70 129.68 2x2g s GLU 167 Ca 0.27 -1.50 -0.23 0.00 0.02 0.00 0.00 54.97 53.53 2x2g s GLU 167 Cb -0.15 -3.44 -0.06 0.00 0.10 0.00 0.00 34.13 30.57 2x2g s GLU 167 CO 0.09 -0.84 1.91 -1.25 0.02 0.00 0.00 175.26 175.19 2x2g s PRO 168 N 1.24 2.65 0.34 0.39 0.04 -1.26 -3.76 135.00 134.64 2x2g s PRO 168 Ca 0.02 -0.95 0.06 0.00 0.04 0.00 0.00 61.00 60.17 2x2g s PRO 168 Cb -0.21 -5.21 0.71 0.00 0.04 0.00 0.00 34.50 29.83 2x2g s PRO 168 CO -0.01 -3.63 1.90 0.28 0.04 0.00 0.00 177.00 175.58 2x2g h VAL 169 N 6.50 0.95 0.00 -0.36 2.07 -1.80 -0.98 116.25 122.62 2x2g h VAL 169 Ca 0.19 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2x2g h VAL 169 Cb 0.96 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2x2g h VAL 169 CO 1.24 0.15 0.13 -2.67 0.02 0.00 0.00 177.57 176.44 2x2g n TRP 170 N -4.52 0.51 0.78 1.57 4.27 -0.87 -0.56 117.44 118.63 2x2g n TRP 170 Ca 0.15 0.27 0.09 0.00 -3.89 0.00 0.00 57.50 54.12 2x2g n TRP 170 Cb 0.33 -0.84 0.08 0.00 -1.36 0.00 0.00 31.31 29.51 2x2g n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x2g n ALA 171 N -1.64 2.48 -2.49 -1.67 0.00 -0.37 -4.51 120.51 112.30 2x2g n ALA 171 Ca -0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 2x2g n ALA 171 Cb 0.15 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 2x2g n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x2g s ILE 172 N -1.58 5.24 -1.77 0.00 1.09 0.28 -4.34 121.20 120.12 2x2g s ILE 172 Ca 0.22 -0.40 -0.00 0.00 -1.10 0.00 0.00 60.65 59.36 2x2g s ILE 172 Cb 0.16 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 2x2g s ILE 172 CO 0.24 -0.20 0.04 0.61 -0.10 0.00 0.00 174.94 175.52 2x2g n GLY 173 N 5.11 -0.50 0.00 6.18 0.00 -1.26 -4.83 105.19 109.89 2x2g n GLY 173 Ca -0.11 0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.94 2x2g n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x2g n THR 174 N -4.03 0.00 -1.05 2.61 -2.24 -1.26 -5.02 114.28 103.29 2x2g n THR 174 Ca -0.24 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2x2g n THR 174 Cb 0.68 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2x2g n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2g n GLY 175 N 2.14 1.15 3.24 3.38 0.00 -1.26 -5.09 105.19 108.75 2x2g n GLY 175 Ca -0.01 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 2x2g n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2g s LYS 176 N -2.55 1.02 0.21 1.61 -0.14 -1.26 -5.15 119.74 113.48 2x2g s LYS 176 Ca 0.00 -1.15 0.10 0.00 -1.36 0.00 0.00 55.97 53.57 2x2g s LYS 176 Cb 0.00 -1.08 -0.04 0.00 -1.68 0.00 0.00 37.83 35.03 2x2g s LYS 176 CO 0.00 0.23 -0.16 0.08 -0.76 0.00 0.00 175.35 174.74 2x2g s VAL 177 N -1.56 2.78 -0.42 3.17 1.01 -1.26 -4.68 120.40 119.43 2x2g s VAL 177 Ca 0.06 -1.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.03 2x2g s VAL 177 Cb -0.08 -2.38 0.10 0.00 0.00 0.00 0.00 36.38 34.02 2x2g s VAL 177 CO 0.04 -0.18 0.24 0.00 0.00 0.00 0.00 175.10 175.20 2x2g s ALA 178 N -1.86 3.24 0.56 5.51 0.00 -1.26 -5.04 121.76 122.90 2x2g s ALA 178 Ca 0.25 -2.38 -0.17 0.00 0.00 0.00 0.00 51.96 49.66 2x2g s ALA 178 Cb -0.08 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2x2g s ALA 178 CO 0.13 -1.75 1.05 0.95 0.00 0.00 0.00 175.76 176.14 2x2g s THR 179 N 1.29 3.86 0.40 0.00 -4.23 -1.26 -4.81 115.64 110.90 2x2g s THR 179 Ca 0.05 0.95 0.17 0.00 -1.18 0.00 0.00 61.69 61.69 2x2g s THR 179 Cb -0.24 -3.43 0.38 0.00 1.34 0.00 0.00 72.50 70.56 2x2g s THR 179 CO -0.01 -0.45 1.82 -0.65 -0.54 0.00 0.00 174.62 174.79 2x2g h PRO 180 N 0.78 0.41 -0.43 3.99 0.11 -1.95 0.87 132.00 135.78 2x2g h PRO 180 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2x2g h PRO 180 Cb 1.22 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2x2g h PRO 180 CO 0.58 0.27 0.12 1.96 -0.21 0.00 0.00 178.00 180.73 2x2g h GLN 181 N 0.43 0.68 -0.29 1.05 7.50 -1.99 0.34 115.11 122.83 2x2g h GLN 181 Ca 0.52 -0.15 -0.05 0.00 0.50 0.00 0.00 58.65 59.47 2x2g h GLN 181 Cb 1.29 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 2x2g h GLN 181 CO -0.23 0.67 -0.02 1.96 -1.50 0.00 0.00 178.83 179.72 2x2g h GLN 182 N 0.56 0.52 -0.44 1.46 4.20 -1.26 -0.68 115.11 119.47 2x2g h GLN 182 Ca 0.14 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2x2g h GLN 182 Cb 0.29 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2x2g h GLN 182 CO -0.00 0.68 0.19 0.00 -0.67 0.00 0.00 178.83 179.03 2x2g h ALA 183 N 0.82 0.58 -0.81 3.87 0.00 -1.05 -1.85 119.26 120.81 2x2g h ALA 183 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2x2g h ALA 183 Cb 0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2x2g h ALA 183 CO 0.02 0.16 0.39 0.37 0.00 0.00 0.00 179.25 180.19 2x2g h GLN 184 N 0.57 1.16 -0.32 0.00 5.75 -0.83 0.19 115.11 121.64 2x2g h GLN 184 Ca 0.15 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2x2g h GLN 184 Cb 0.16 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2x2g h GLN 184 CO -0.02 0.90 0.17 1.49 -2.65 0.00 0.00 178.83 178.72 2x2g h GLU 185 N 1.15 0.33 0.04 1.69 4.81 -0.91 0.25 114.58 121.95 2x2g h GLU 185 Ca 0.28 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2x2g h GLU 185 Cb 0.11 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2x2g h GLU 185 CO -0.04 0.22 -0.02 0.00 -0.73 0.00 0.00 179.01 178.44 2x2g h ALA 186 N 1.16 -0.06 -0.89 2.92 0.00 -0.93 -1.55 119.26 119.91 2x2g h ALA 186 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2x2g h ALA 186 Cb 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2x2g h ALA 186 CO -0.08 -0.45 0.59 0.45 0.00 0.00 0.00 179.25 179.75 2x2g h HIS 187 N -0.22 1.13 -0.45 0.00 3.86 -0.81 -2.13 115.15 116.53 2x2g h HIS 187 Ca -0.01 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 2x2g h HIS 187 Cb 0.20 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 2x2g h HIS 187 CO -0.02 0.71 -0.17 0.00 0.86 0.00 0.00 177.93 179.31 2x2g h ALA 188 N 1.44 0.85 -0.23 2.45 0.00 -0.24 -0.56 119.26 122.97 2x2g h ALA 188 Ca 0.33 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2x2g h ALA 188 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2x2g h ALA 188 CO -0.07 0.64 -0.51 1.37 0.00 0.00 0.00 179.25 180.68 2x2g h LEU 189 N 0.76 0.72 -0.11 0.00 8.10 -0.92 0.64 115.31 124.50 2x2g h LEU 189 Ca 0.11 -0.37 -0.00 0.00 0.11 0.00 0.00 57.88 57.73 2x2g h LEU 189 Cb 0.70 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 2x2g h LEU 189 CO 0.05 1.10 0.07 0.40 -4.11 0.00 0.00 178.44 175.95 2x2g h ILE 190 N 0.51 1.05 -0.65 0.15 2.04 -1.25 -1.29 117.51 118.08 2x2g h ILE 190 Ca 0.02 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2x2g h ILE 190 Cb 1.07 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2x2g h ILE 190 CO 0.10 0.05 0.13 -0.09 0.00 0.00 0.00 178.15 178.34 2x2g h ARG 191 N 0.13 1.05 -0.76 2.37 2.43 -0.82 -0.79 114.38 117.99 2x2g h ARG 191 Ca 0.04 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 2x2g h ARG 191 Cb 0.02 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2x2g h ARG 191 CO -0.01 0.95 0.40 1.03 -1.51 0.00 0.00 179.97 180.82 2x2g h SER 192 N 0.99 0.96 -0.34 -3.80 0.87 -0.78 0.33 113.55 111.78 2x2g h SER 192 Ca 0.20 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 2x2g h SER 192 Cb 0.39 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2x2g h SER 192 CO 0.01 0.79 -0.06 -0.25 -0.53 0.00 0.00 176.83 176.79 2x2g h TRP 193 N 1.07 0.72 -0.61 2.24 7.01 -0.70 -1.06 115.95 124.62 2x2g h TRP 193 Ca 0.27 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.13 2x2g h TRP 193 Cb 0.06 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 2x2g h TRP 193 CO 0.01 0.80 0.40 0.28 -2.79 0.00 0.00 178.44 177.14 2x2g h VAL 194 N 0.44 1.14 -0.29 2.65 2.07 -0.71 0.12 116.25 121.66 2x2g h VAL 194 Ca 0.09 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2x2g h VAL 194 Cb 0.55 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2x2g h VAL 194 CO 0.03 0.15 0.18 -1.28 0.02 0.00 0.00 177.57 176.67 2x2g h SER 195 N 0.82 0.29 -0.15 0.57 0.87 -0.19 0.32 113.55 116.08 2x2g h SER 195 Ca 0.23 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 2x2g h SER 195 Cb -0.08 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2x2g h SER 195 CO -0.06 0.21 -0.06 0.28 -0.53 0.00 0.00 176.83 176.68 2x2g h SER 196 N 0.36 0.30 0.50 6.23 0.02 -0.94 -2.64 113.55 117.40 2x2g h SER 196 Ca 0.11 -0.40 -0.23 0.00 -0.84 0.00 0.00 61.79 60.44 2x2g h SER 196 Cb -0.01 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 2x2g h SER 196 CO -0.05 0.63 -1.67 0.29 -1.14 0.00 0.00 176.83 174.89 2x2g n LYS 197 N -4.67 0.64 -0.06 3.45 4.76 0.38 -4.56 118.16 118.09 2x2g n LYS 197 Ca -0.06 0.20 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 2x2g n LYS 197 Cb 0.28 -1.75 -0.06 0.00 -1.84 0.00 0.00 35.03 31.66 2x2g n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x2g n ILE 198 N -2.89 0.70 0.00 -0.18 2.08 0.98 -5.05 119.36 114.99 2x2g n ILE 198 Ca -0.15 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.89 2x2g n ILE 198 Cb 0.94 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 2x2g n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x2g n GLY 199 N 2.90 4.68 0.18 7.39 0.00 -0.34 -4.87 105.19 115.13 2x2g n GLY 199 Ca -0.22 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 44.74 2x2g n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2g h ALA 200 N 0.00 1.08 -0.16 4.61 0.00 -1.80 -1.58 119.26 121.40 2x2g h ALA 200 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2x2g h ALA 200 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2x2g h ALA 200 CO 0.00 0.52 0.05 0.38 0.00 0.00 0.00 179.25 180.19 2x2g h ASP 201 N 0.00 0.24 -0.32 0.00 2.03 -1.93 -0.35 116.42 116.09 2x2g h ASP 201 Ca -0.00 -0.22 -0.00 0.00 -0.73 0.00 0.00 57.03 56.08 2x2g h ASP 201 Cb 0.86 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 39.29 2x2g h ASP 201 CO 0.05 0.39 0.19 0.58 -1.03 0.00 0.00 179.24 179.42 2x2g h VAL 202 N 0.07 1.11 -0.42 4.15 2.07 -1.84 -2.68 116.25 118.72 2x2g h VAL 202 Ca 0.05 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2x2g h VAL 202 Cb 0.24 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2x2g h VAL 202 CO -0.00 0.11 0.20 0.00 0.02 0.00 0.00 177.57 177.91 2x2g h ALA 203 N 1.07 1.57 -0.26 1.67 0.00 -1.19 -0.41 119.26 121.71 2x2g h ALA 203 Ca 0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2x2g h ALA 203 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2x2g h ALA 203 CO -0.02 0.35 -0.19 0.78 0.00 0.00 0.00 179.25 180.17 2x2g h GLY 204 N 0.69 0.50 0.74 0.00 0.00 -0.73 -3.07 103.07 101.20 2x2g h GLY 204 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2x2g h GLY 204 CO -0.02 0.34 -0.98 1.18 0.00 0.00 0.00 176.54 177.06 2x2g n GLU 205 N -4.16 0.35 -2.08 4.80 -0.58 -0.69 -4.46 120.64 113.81 2x2g n GLU 205 Ca 0.00 0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 2x2g n GLU 205 Cb 0.36 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 2x2g n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2x2g s LEU 206 N -4.21 4.34 -0.17 -4.62 2.96 -0.25 -4.80 118.68 111.94 2x2g s LEU 206 Ca 0.03 2.31 -0.28 0.00 -0.22 0.00 0.00 54.13 55.98 2x2g s LEU 206 Cb 0.13 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 2x2g s LEU 206 CO 0.79 -0.79 0.95 -0.13 -1.32 0.00 0.00 176.35 175.84 2x2g s ARG 207 N 2.35 4.32 -0.27 1.98 3.00 -1.26 -4.90 118.95 124.17 2x2g s ARG 207 Ca 0.68 1.23 -0.03 0.00 0.00 0.00 0.00 55.73 57.62 2x2g s ARG 207 Cb -0.36 -3.59 0.03 0.00 0.00 0.00 0.00 34.95 31.03 2x2g s ARG 207 CO 0.29 -0.43 -0.01 0.42 0.00 0.00 0.00 175.30 175.57 2x2g s ILE 208 N 2.47 3.19 -0.05 1.52 1.01 -1.26 -1.51 121.20 126.58 2x2g s ILE 208 Ca 0.43 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 2x2g s ILE 208 Cb -0.17 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 2x2g s ILE 208 CO 0.12 0.11 0.23 -0.76 0.00 0.00 0.00 174.94 174.64 2x2g s LEU 209 N 1.36 4.39 -0.09 2.97 1.43 0.88 -0.62 118.68 129.01 2x2g s LEU 209 Ca -0.00 0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 53.39 2x2g s LEU 209 Cb -0.17 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 2x2g s LEU 209 CO -0.02 0.33 0.88 -0.47 0.23 0.00 0.00 176.35 177.29 2x2g s TYR 210 N -1.16 3.54 -0.26 0.29 5.04 -0.14 -0.06 117.35 124.60 2x2g s TYR 210 Ca 0.22 1.44 0.15 0.00 -2.44 0.00 0.00 57.07 56.45 2x2g s TYR 210 Cb -0.13 -3.03 0.40 0.00 0.35 0.00 0.00 41.96 39.55 2x2g s TYR 210 CO 0.11 -0.10 1.30 0.41 -1.34 0.00 0.00 175.55 175.94 2x2g n GLY 211 N 3.15 3.99 3.94 8.97 0.00 0.29 -1.19 105.19 124.33 2x2g n GLY 211 Ca 0.04 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 2x2g n GLY 211 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x2g s GLY 212 N -1.96 1.46 -0.06 -0.02 0.00 -1.26 -4.67 107.32 100.81 2x2g s GLY 212 Ca 0.34 -0.87 -0.38 0.00 0.00 0.00 0.00 44.72 43.81 2x2g s GLY 212 CO 0.08 -0.74 1.46 -1.14 0.00 0.00 0.00 173.10 172.76 2x2g n SER 213 N -2.01 1.75 -3.85 1.64 3.41 -1.26 -4.88 113.62 108.41 2x2g n SER 213 Ca -0.01 1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 59.59 2x2g n SER 213 Cb 0.56 -1.14 -0.12 0.00 -0.26 0.00 0.00 64.21 63.25 2x2g n SER 213 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2x2g s VAL 214 N 1.51 0.04 0.51 -3.33 0.11 -1.26 -4.99 120.40 112.98 2x2g s VAL 214 Ca 0.90 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.66 2x2g s VAL 214 Cb -1.03 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 2x2g s VAL 214 CO 0.55 -0.17 0.06 0.54 -3.33 0.00 0.00 175.10 172.75 2x2g s ASN 215 N -0.56 4.19 0.16 3.54 6.03 -1.26 -4.87 114.94 122.18 2x2g s ASN 215 Ca -0.06 -1.56 -0.25 0.00 -1.03 0.00 0.00 52.86 49.96 2x2g s ASN 215 Cb -0.04 0.42 0.03 0.00 -3.03 0.00 0.00 41.25 38.63 2x2g s ASN 215 CO 0.01 -0.85 1.59 1.23 -2.03 0.00 0.00 177.10 177.04 2x2g h GLY 216 N 1.29 -0.37 0.90 0.45 0.00 -1.88 -0.42 103.07 103.05 2x2g h GLY 216 Ca -0.43 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2x2g h GLY 216 CO 0.72 -0.20 -0.24 0.50 0.00 0.00 0.00 176.54 177.32 2x2g h LYS 217 N -0.29 -0.65 0.00 4.80 1.79 -1.97 -2.32 116.57 117.93 2x2g h LYS 217 Ca 0.16 0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.61 2x2g h LYS 217 Cb 0.56 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2x2g h LYS 217 CO -0.54 -0.38 -0.30 -2.95 -1.08 0.00 0.00 179.45 174.19 2x2g h ASN 218 N -0.79 0.00 -0.04 0.86 7.08 -1.95 -2.50 115.58 118.24 2x2g h ASN 218 Ca -0.07 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.15 2x2g h ASN 218 Cb 0.57 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.80 2x2g h ASN 218 CO 0.11 0.30 0.02 0.00 -2.08 0.00 0.00 177.43 175.79 2x2g h ALA 219 N 1.70 0.06 -0.97 4.14 0.00 -0.95 0.37 119.26 123.61 2x2g h ALA 219 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2x2g h ALA 219 Cb 0.68 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2x2g h ALA 219 CO 0.04 -0.40 0.63 -0.09 0.00 0.00 0.00 179.25 179.44 2x2g h ARG 220 N -0.03 1.17 -0.06 0.00 2.43 -0.99 0.21 114.38 117.11 2x2g h ARG 220 Ca 0.02 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2x2g h ARG 220 Cb 0.09 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2x2g h ARG 220 CO -0.00 0.77 -0.01 1.15 -1.51 0.00 0.00 179.97 180.37 2x2g h THR 221 N 1.20 1.28 -0.68 0.20 2.02 -1.24 -3.07 112.91 112.62 2x2g h THR 221 Ca 0.39 -0.87 0.09 0.00 0.77 0.00 0.00 66.41 66.79 2x2g h THR 221 Cb 0.05 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 2x2g h THR 221 CO -0.13 0.24 0.32 -0.07 0.37 0.00 0.00 175.52 176.25 2x2g h LEU 222 N -0.22 0.39 -2.50 2.58 3.38 -0.44 -1.61 115.31 116.89 2x2g h LEU 222 Ca 0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2x2g h LEU 222 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2x2g h LEU 222 CO 0.00 0.22 0.02 0.22 0.09 0.00 0.00 178.44 179.00 2x2g h TYR 223 N 0.54 0.00 0.00 1.13 3.20 -0.51 -0.20 116.97 121.14 2x2g h TYR 223 Ca 0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2x2g h TYR 223 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2x2g h TYR 223 CO -0.12 0.00 0.00 1.04 -1.64 0.00 0.00 178.16 177.44 2x2g n GLN 224 N -3.77 0.17 -2.22 1.82 1.13 -0.61 -4.76 117.38 109.15 2x2g n GLN 224 Ca -0.03 0.38 -0.37 0.00 -1.94 0.00 0.00 57.00 55.04 2x2g n GLN 224 Cb 0.10 -1.82 -0.00 0.00 0.11 0.00 0.00 30.24 28.63 2x2g n GLN 224 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2x2g s GLN 225 N -3.26 3.68 0.27 -1.09 -1.52 -0.09 -4.92 119.66 112.73 2x2g s GLN 225 Ca 0.05 1.80 0.00 0.00 -1.95 0.00 0.00 55.36 55.26 2x2g s GLN 225 Cb 0.10 -2.36 0.54 0.00 -0.22 0.00 0.00 33.01 31.06 2x2g s GLN 225 CO 0.40 -0.63 1.81 -0.09 -0.25 0.00 0.00 175.29 176.53 2x2g h ARG 226 N 1.94 0.83 -0.45 2.91 2.43 -1.88 -2.97 114.38 117.19 2x2g h ARG 226 Ca -0.49 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2x2g h ARG 226 Cb 1.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2x2g h ARG 226 CO 0.60 0.55 0.00 -0.25 -1.51 0.00 0.00 179.97 179.35 2x2g n ASP 227 N -4.71 3.96 -4.61 -3.80 9.92 -1.26 -4.90 116.55 111.15 2x2g n ASP 227 Ca 0.18 -2.46 -0.37 0.00 -0.53 0.00 0.00 54.79 51.61 2x2g n ASP 227 Cb 0.38 -0.46 -0.11 0.00 -0.64 0.00 0.00 41.12 40.29 2x2g n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x2g s VAL 228 N -1.84 5.24 -0.20 2.53 1.01 -1.12 -4.58 120.40 121.43 2x2g s VAL 228 Ca 0.40 0.14 0.16 0.00 0.00 0.00 0.00 61.98 62.68 2x2g s VAL 228 Cb 0.27 -3.47 0.39 0.00 0.00 0.00 0.00 36.38 33.57 2x2g s VAL 228 CO 0.18 0.30 1.28 0.59 0.00 0.00 0.00 175.10 177.45 2x2g n ASN 229 N 4.71 3.11 0.00 3.32 4.13 0.21 -4.84 115.26 125.90 2x2g n ASN 229 Ca -0.15 -2.92 0.00 0.00 1.68 0.00 0.00 54.58 53.19 2x2g n ASN 229 Cb 0.52 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2x2g n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x2g n GLY 230 N -0.80 0.66 3.08 7.41 0.00 -1.26 -1.14 105.19 113.14 2x2g n GLY 230 Ca 0.17 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 2x2g n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x2g s PHE 231 N -2.84 0.06 -0.31 1.61 0.08 -0.29 -0.96 117.98 115.33 2x2g s PHE 231 Ca 0.00 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2x2g s PHE 231 Cb 0.00 -0.06 0.07 0.00 -0.57 0.00 0.00 43.02 42.46 2x2g s PHE 231 CO 0.00 -0.25 0.00 -1.17 -0.10 0.00 0.00 175.22 173.70 2x2g s LEU 232 N -1.26 4.06 0.00 -0.37 2.96 -0.33 -0.14 118.68 123.59 2x2g s LEU 232 Ca -0.14 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 2x2g s LEU 232 Cb -0.07 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2x2g s LEU 232 CO 0.01 -0.29 0.00 0.00 -1.32 0.00 0.00 176.35 174.75 2x2g n ALA 233 N 4.51 0.00 -1.76 5.97 0.00 0.15 -4.29 120.51 125.08 2x2g n ALA 233 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 2x2g n ALA 233 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 2x2g n ALA 233 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x2g s GLY 234 N -0.92 2.99 -1.00 0.00 0.00 -1.26 -0.16 107.32 106.96 2x2g s GLY 234 Ca 0.00 0.58 -0.23 0.00 0.00 0.00 0.00 44.72 45.07 2x2g s GLY 234 CO 0.00 1.10 1.76 -2.27 0.00 0.00 0.00 173.10 173.69 2x2g s LEU 238 N -1.55 3.32 0.10 0.66 2.96 -1.12 -4.57 118.68 118.48 2x2g s LEU 238 Ca 0.45 -1.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.10 2x2g s LEU 238 Cb -0.23 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 2x2g s LEU 238 CO 0.29 -2.25 0.19 -0.54 -1.32 0.00 0.00 176.35 172.72 2x2g s LYS 239 N 6.06 0.88 0.53 1.98 1.02 -1.26 -5.02 119.74 123.93 2x2g s LYS 239 Ca 0.61 -1.02 0.24 0.00 0.02 0.00 0.00 55.97 55.82 2x2g s LYS 239 Cb -0.03 0.34 1.38 0.00 -0.52 0.00 0.00 37.83 39.00 2x2g s LYS 239 CO -0.02 -0.28 2.00 -1.35 -0.92 0.00 0.00 175.35 174.78 2x2g h PRO 240 N 2.74 0.02 0.00 -1.68 0.11 -1.95 0.24 132.00 131.47 2x2g h PRO 240 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2x2g h PRO 240 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2x2g h PRO 240 CO 0.56 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 2x2g n GLU 241 N -4.39 0.21 -0.08 1.05 1.02 -1.26 -2.65 120.64 114.54 2x2g n GLU 241 Ca 0.09 0.14 0.05 0.00 -0.02 0.00 0.00 57.16 57.42 2x2g n GLU 241 Cb 0.57 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.89 2x2g n GLU 241 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2x2g h PHE 242 N 0.00 0.61 -0.93 -0.32 3.57 -0.76 0.44 116.94 119.55 2x2g h PHE 242 Ca 0.00 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.65 2x2g h PHE 242 Cb 0.17 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 2x2g h PHE 242 CO 0.00 0.36 0.60 0.28 -2.23 0.00 0.00 178.31 177.31 2x2g h VAL 243 N 0.63 0.86 -0.23 1.41 2.07 -1.71 0.14 116.25 119.44 2x2g h VAL 243 Ca 0.22 -0.28 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 2x2g h VAL 243 Cb 0.10 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2x2g h VAL 243 CO -0.06 0.15 -0.52 0.44 0.02 0.00 0.00 177.57 177.60 2x2g h ASP 244 N 0.81 0.71 -0.41 0.57 3.32 -1.14 -1.78 116.42 118.49 2x2g h ASP 244 Ca 0.47 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2x2g h ASP 244 Cb 0.63 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2x2g h ASP 244 CO -0.23 1.10 0.24 0.40 -1.72 0.00 0.00 179.24 179.02 2x2g h ILE 245 N 0.50 1.14 -0.35 0.35 5.03 -0.52 0.74 117.51 124.40 2x2g h ILE 245 Ca 0.02 -0.34 0.05 0.00 -0.12 0.00 0.00 64.86 64.47 2x2g h ILE 245 Cb 1.08 0.62 -0.05 0.00 -3.03 0.00 0.00 36.82 35.44 2x2g h ILE 245 CO 0.10 0.14 0.06 0.40 -0.68 0.00 0.00 178.15 178.18 2x2g h ILE 246 N 0.54 0.81 0.00 -0.67 2.04 -0.70 -1.18 117.51 118.34 2x2g h ILE 246 Ca 0.15 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2x2g h ILE 246 Cb 0.02 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2x2g h ILE 246 CO -0.03 0.03 -0.08 0.11 0.00 0.00 0.00 178.15 178.19 2x2g h LYS 247 N 0.17 0.00 0.00 2.37 1.57 -0.90 -1.68 116.57 118.10 2x2g h LYS 247 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2x2g h LYS 247 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2x2g h LYS 247 CO -0.23 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.73 2x2g n ALA 248 N -2.18 1.76 -1.22 3.86 0.00 0.21 -4.06 120.51 118.89 2x2g n ALA 248 Ca -0.01 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.31 2x2g n ALA 248 Cb 0.26 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.20 2x2g n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x2g n THR 249 N -2.23 3.12 -1.63 0.00 -2.24 -0.63 -4.53 114.28 106.14 2x2g n THR 249 Ca 0.03 -2.19 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 2x2g n THR 249 Cb 0.26 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 2x2g n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50