#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 3.75 1.05 -1.46 1.02 -1.26 -5.03 119.74 117.81 2x2g s LYS 3 Ca 0.00 1.39 -0.12 0.00 0.02 0.00 0.00 55.97 57.26 2x2g s LYS 3 Cb 0.00 -2.09 0.22 0.00 -0.52 0.00 0.00 37.83 35.44 2x2g s LYS 3 CO 0.00 -0.48 1.07 -1.25 -0.92 0.00 0.00 175.35 173.77 2x2g s PRO 4 N -3.23 -0.00 -0.02 -1.68 0.04 -1.26 -4.89 135.00 123.96 2x2g s PRO 4 Ca 0.68 0.70 -0.36 0.00 0.04 0.00 0.00 61.00 62.06 2x2g s PRO 4 Cb -0.17 -1.67 -0.15 0.00 0.04 0.00 0.00 34.50 32.55 2x2g s PRO 4 CO 0.21 -3.07 1.62 0.94 0.04 0.00 0.00 177.00 176.74 2x2g n GLN 5 N -4.44 1.67 -1.71 4.56 7.27 -1.26 -4.94 117.38 118.53 2x2g n GLN 5 Ca 0.05 0.61 -0.30 0.00 0.07 0.00 0.00 57.00 57.42 2x2g n GLN 5 Cb 0.56 -2.34 0.07 0.00 2.41 0.00 0.00 30.24 30.93 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 2.13 2.47 -0.03 3.69 0.04 -1.26 -4.91 135.00 137.14 2x2g s PRO 6 Ca 0.88 0.56 0.02 0.00 0.04 0.00 0.00 61.00 62.50 2x2g s PRO 6 Cb -0.84 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2x2g s PRO 6 CO 0.50 -1.33 -0.09 0.42 0.04 0.00 0.00 177.00 176.53 2x2g s ILE 7 N -3.25 0.80 -0.27 0.56 1.01 -0.62 -1.74 121.20 117.68 2x2g s ILE 7 Ca 0.59 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2x2g s ILE 7 Cb -0.13 -0.71 0.06 0.00 0.01 0.00 0.00 42.46 41.69 2x2g s ILE 7 CO 0.53 0.25 -0.08 0.00 0.00 0.00 0.00 174.94 175.64 2x2g s ALA 8 N 0.21 2.64 -0.10 9.38 0.00 -0.30 -1.21 121.76 132.39 2x2g s ALA 8 Ca -0.04 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.14 2x2g s ALA 8 Cb -0.09 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 2x2g s ALA 8 CO 0.01 -1.24 -0.17 0.00 0.00 0.00 0.00 175.76 174.36 2x2g s ALA 9 N 1.12 2.48 -0.15 0.00 0.00 0.60 -0.91 121.76 124.91 2x2g s ALA 9 Ca -0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2x2g s ALA 9 Cb -0.20 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2x2g s ALA 9 CO -0.04 0.35 -0.08 0.00 0.00 0.00 0.00 175.76 175.98 2x2g s ALA 10 N 0.04 2.80 -0.34 0.00 0.00 0.42 0.41 121.76 125.08 2x2g s ALA 10 Ca -0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 2x2g s ALA 10 Cb -0.15 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.59 2x2g s ALA 10 CO 0.05 0.14 0.12 1.21 0.00 0.00 0.00 175.76 177.28 2x2g s ASN 11 N 0.51 5.35 0.34 0.00 2.47 0.54 -0.50 114.94 123.64 2x2g s ASN 11 Ca -0.06 -1.16 -0.28 0.00 0.42 0.00 0.00 52.86 51.78 2x2g s ASN 11 Cb -0.15 -1.88 -0.09 0.00 -1.45 0.00 0.00 41.25 37.68 2x2g s ASN 11 CO 0.03 -0.34 1.18 0.86 -3.72 0.00 0.00 177.10 175.11 2x2g s TRP 12 N 1.41 3.24 0.03 0.43 -0.11 -0.28 -3.14 118.94 120.52 2x2g s TRP 12 Ca -0.01 1.57 0.01 0.00 1.22 0.00 0.00 56.10 58.88 2x2g s TRP 12 Cb -0.20 -3.43 -0.02 0.00 -1.50 0.00 0.00 33.47 28.32 2x2g s TRP 12 CO 0.03 -1.19 -0.05 -1.59 -4.62 0.00 0.00 176.95 169.52 2x2g s LYS 13 N -1.87 0.39 0.69 5.86 -2.85 -1.26 -4.69 119.74 116.01 2x2g s LYS 13 Ca 0.50 -0.66 -0.16 0.00 -1.00 0.00 0.00 55.97 54.66 2x2g s LYS 13 Cb -0.33 -0.06 0.02 0.00 -2.06 0.00 0.00 37.83 35.39 2x2g s LYS 13 CO 0.43 -0.01 1.18 -1.12 0.10 0.00 0.00 175.35 175.93 2x2g s SER 15 N -1.47 4.62 0.00 0.03 0.01 -1.26 -3.66 113.70 111.97 2x2g s SER 15 Ca -0.13 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2x2g s SER 15 Cb -0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2x2g s SER 15 CO -0.00 -1.97 0.00 0.61 0.41 0.00 0.00 173.24 172.28 2x2g n GLY 16 N 0.13 0.61 3.75 3.44 0.00 -1.26 -5.04 105.19 106.82 2x2g n GLY 16 Ca 0.12 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2x2g n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x2g s SER 17 N -2.19 5.29 0.09 1.61 0.15 -1.24 -4.92 113.70 112.49 2x2g s SER 17 Ca 0.00 2.70 0.26 0.00 0.70 0.00 0.00 55.95 59.61 2x2g s SER 17 Cb 0.00 -2.63 0.66 0.00 -1.71 0.00 0.00 66.02 62.34 2x2g s SER 17 CO 0.00 -1.55 1.57 -0.81 1.20 0.00 0.00 173.24 173.64 2x2g n PRO 18 N -1.08 0.16 -3.01 5.44 -0.05 -1.26 -4.89 135.00 130.32 2x2g n PRO 18 Ca 0.11 0.08 -0.26 0.00 -0.05 0.00 0.00 63.50 63.37 2x2g n PRO 18 Cb 0.46 -1.64 -0.01 0.00 -0.05 0.00 0.00 33.50 32.26 2x2g n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 2x2g s ASP 19 N -3.79 6.31 -0.03 3.54 -0.00 -1.26 -5.07 116.67 116.37 2x2g s ASP 19 Ca 0.10 0.74 -0.26 0.00 -0.00 0.00 0.00 52.55 53.13 2x2g s ASP 19 Cb 0.15 -2.16 -0.04 0.00 -0.00 0.00 0.00 42.92 40.88 2x2g s ASP 19 CO 0.65 -0.42 0.80 -0.55 -0.00 0.00 0.00 175.17 175.66 2x2g s SER 20 N -3.90 7.14 0.17 0.27 0.15 -1.26 -4.97 113.70 111.30 2x2g s SER 20 Ca 0.44 1.38 -0.13 0.00 0.70 0.00 0.00 55.95 58.34 2x2g s SER 20 Cb -0.10 -2.47 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2x2g s SER 20 CO 0.39 -0.15 1.80 0.25 1.20 0.00 0.00 173.24 176.73 2x2g h LEU 21 N 6.66 0.69 -0.95 3.45 5.85 -1.97 -1.60 115.31 127.44 2x2g h LEU 21 Ca -0.41 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.26 2x2g h LEU 21 Cb 1.21 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2x2g h LEU 21 CO 0.75 0.57 0.62 -1.28 -0.34 0.00 0.00 178.44 178.76 2x2g h SER 22 N 0.77 1.05 -0.43 1.25 0.87 -1.99 0.25 113.55 115.31 2x2g h SER 22 Ca 0.20 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 2x2g h SER 22 Cb 0.01 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2x2g h SER 22 CO -0.04 0.73 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.62 2x2g h GLU 23 N 1.23 0.86 -0.44 2.24 5.08 -1.87 -0.32 114.58 121.35 2x2g h GLU 23 Ca 0.37 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2x2g h GLU 23 Cb -0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2x2g h GLU 23 CO -0.11 0.89 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.60 2x2g h LEU 24 N 0.79 0.86 -0.68 1.33 3.38 -0.72 -0.67 115.31 119.59 2x2g h LEU 24 Ca 0.14 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2x2g h LEU 24 Cb 0.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2x2g h LEU 24 CO 0.03 1.03 0.43 0.40 0.09 0.00 0.00 178.44 180.41 2x2g h ILE 25 N 0.68 1.19 -0.61 1.22 2.04 -0.75 0.17 117.51 121.45 2x2g h ILE 25 Ca 0.11 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.66 2x2g h ILE 25 Cb 0.65 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2x2g h ILE 25 CO 0.04 0.19 0.24 0.44 0.00 0.00 0.00 178.15 179.07 2x2g h ASP 26 N 0.93 0.26 -0.28 1.72 3.32 -0.83 0.15 116.42 121.69 2x2g h ASP 26 Ca 0.25 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.38 2x2g h ASP 26 Cb -0.05 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2x2g h ASP 26 CO -0.05 0.16 0.16 0.25 -1.72 0.00 0.00 179.24 178.04 2x2g h LEU 27 N 0.44 0.27 -0.37 1.55 5.85 -0.02 -1.52 115.31 121.51 2x2g h LEU 27 Ca 0.30 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 2x2g h LEU 27 Cb 0.35 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2x2g h LEU 27 CO -0.29 0.20 0.06 -0.26 -0.34 0.00 0.00 178.44 177.81 2x2g h PHE 28 N 0.34 0.64 -0.75 1.25 0.04 -0.13 -2.01 116.94 116.32 2x2g h PHE 28 Ca 0.11 -0.09 0.13 0.00 2.80 0.00 0.00 57.97 60.92 2x2g h PHE 28 Cb -0.00 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 37.92 2x2g h PHE 28 CO -0.08 0.66 0.50 -0.91 -0.60 0.00 0.00 178.31 177.88 2x2g h ASN 29 N 0.45 0.46 0.75 2.17 2.35 -0.57 -1.56 115.58 119.62 2x2g h ASN 29 Ca 0.11 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2x2g h ASN 29 Cb 0.36 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2x2g h ASN 29 CO 0.01 0.25 -0.17 -1.54 -1.65 0.00 0.00 177.43 174.33 2x2g n SER 30 N -4.49 0.21 -4.72 5.81 3.41 -0.59 -4.81 113.62 108.44 2x2g n SER 30 Ca 0.14 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.44 2x2g n SER 30 Cb 0.46 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.92 4.36 -0.18 6.66 2.01 -0.59 -5.02 115.64 119.96 2x2g s THR 31 Ca 0.15 1.81 -0.22 0.00 0.31 0.00 0.00 61.69 63.74 2x2g s THR 31 Cb 0.19 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2x2g s THR 31 CO 0.57 0.20 0.70 -0.44 -0.69 0.00 0.00 174.62 174.97 2x2g s SER 32 N 0.59 6.78 -0.11 3.53 0.01 -1.26 -5.03 113.70 118.21 2x2g s SER 32 Ca 0.52 0.96 -0.01 0.00 1.31 0.00 0.00 55.95 58.73 2x2g s SER 32 Cb -0.25 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.62 2x2g s SER 32 CO 0.30 -0.31 -0.05 -0.63 0.41 0.00 0.00 173.24 172.96 2x2g s ILE 33 N 1.97 0.87 -0.43 1.44 1.01 -1.26 -5.03 121.20 119.76 2x2g s ILE 33 Ca 0.32 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.80 2x2g s ILE 33 Cb -0.16 -0.95 0.17 0.00 0.01 0.00 0.00 42.46 41.53 2x2g s ILE 33 CO 0.11 0.30 1.14 0.59 0.00 0.00 0.00 174.94 177.08 2x2g n ASN 34 N 4.99 2.50 -4.52 3.58 3.02 -1.26 -4.98 115.26 118.59 2x2g n ASN 34 Ca -0.11 -2.08 -0.24 0.00 -0.03 0.00 0.00 54.58 52.12 2x2g n ASN 34 Cb 0.50 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 2x2g n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2x2g s HIS 35 N -1.14 2.40 -0.64 3.10 -3.43 -1.26 -5.07 115.29 109.25 2x2g s HIS 35 Ca 0.13 -0.31 -0.27 0.00 -0.80 0.00 0.00 55.06 53.82 2x2g s HIS 35 Cb 0.08 -1.06 -0.01 0.00 -1.43 0.00 0.00 32.58 30.16 2x2g s HIS 35 CO 0.08 0.69 1.70 0.34 -2.00 0.00 0.00 174.74 175.54 2x2g s ASP 36 N -3.56 5.52 -0.01 7.38 2.15 -1.26 -4.93 116.67 121.97 2x2g s ASP 36 Ca 0.30 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.42 2x2g s ASP 36 Cb -0.05 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 2x2g s ASP 36 CO 0.16 -2.22 0.00 0.54 -0.17 0.00 0.00 175.17 173.48 2x2g s VAL 37 N 8.13 0.06 -0.39 1.11 0.11 -1.26 -4.29 120.40 123.87 2x2g s VAL 37 Ca 0.58 0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 59.41 2x2g s VAL 37 Cb -0.11 -0.10 0.02 0.00 -1.53 0.00 0.00 36.38 34.65 2x2g s VAL 37 CO 0.19 0.06 0.93 -1.58 -3.33 0.00 0.00 175.10 171.37 2x2g s GLN 38 N 0.38 3.76 -0.00 1.54 2.00 -0.71 -4.90 119.66 121.73 2x2g s GLN 38 Ca -0.03 0.48 -0.15 0.00 -2.00 0.00 0.00 55.36 53.65 2x2g s GLN 38 Cb -0.05 -3.84 -0.06 0.00 0.80 0.00 0.00 33.01 29.87 2x2g s GLN 38 CO -0.01 -1.03 0.42 0.00 -0.50 0.00 0.00 175.29 174.17 2x2g s VAL 40 N -0.99 0.81 -0.30 0.00 1.01 -0.09 -0.58 120.40 120.27 2x2g s VAL 40 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2x2g s VAL 40 Cb -0.17 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.55 2x2g s VAL 40 CO 0.14 0.26 -0.02 -0.69 0.00 0.00 0.00 175.10 174.79 2x2g s VAL 41 N 0.27 2.59 -0.23 2.92 1.01 -0.30 -0.44 120.40 126.23 2x2g s VAL 41 Ca -0.05 -1.70 -0.17 0.00 0.00 0.00 0.00 61.98 60.06 2x2g s VAL 41 Cb -0.10 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2x2g s VAL 41 CO 0.01 -0.21 0.48 0.00 0.00 0.00 0.00 175.10 175.38 2x2g s ALA 42 N 1.13 3.57 0.13 5.51 0.00 0.34 -0.87 121.76 131.58 2x2g s ALA 42 Ca -0.03 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.47 2x2g s ALA 42 Cb -0.20 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2x2g s ALA 42 CO -0.04 -0.57 -0.18 0.45 0.00 0.00 0.00 175.76 175.42 2x2g s SER 43 N 1.35 3.87 0.76 0.00 0.15 -0.09 -1.13 113.70 118.60 2x2g s SER 43 Ca 0.21 -0.60 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 2x2g s SER 43 Cb -0.15 -0.53 0.05 0.00 -1.71 0.00 0.00 66.02 63.68 2x2g s SER 43 CO 0.09 0.16 1.14 0.42 1.20 0.00 0.00 173.24 176.25 2x2g s THR 44 N -1.25 2.81 0.25 6.45 -4.23 -1.26 -3.85 115.64 114.55 2x2g s THR 44 Ca 0.19 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.98 2x2g s THR 44 Cb -0.10 -2.76 0.21 0.00 1.34 0.00 0.00 72.50 71.20 2x2g s THR 44 CO 0.10 -0.28 1.79 0.15 -0.54 0.00 0.00 174.62 175.85 2x2g h PHE 45 N -0.72 0.79 -0.55 3.99 3.04 -1.97 -1.38 116.94 120.14 2x2g h PHE 45 Ca -0.45 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.58 2x2g h PHE 45 Cb 1.26 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.50 2x2g h PHE 45 CO 0.53 0.29 0.37 -0.24 -2.02 0.00 0.00 178.31 177.23 2x2g h VAL 46 N 0.72 1.00 -0.15 1.41 3.04 -2.03 -2.19 116.25 118.04 2x2g h VAL 46 Ca 0.40 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 2x2g h VAL 46 Cb 0.43 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 2x2g h VAL 46 CO -0.28 0.10 0.00 1.41 -1.01 0.00 0.00 177.57 177.79 2x2g n HIS 47 N -4.47 0.18 -0.14 3.17 8.25 -0.54 -4.34 115.22 117.34 2x2g n HIS 47 Ca 0.07 -0.09 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 2x2g n HIS 47 Cb 0.22 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 3.30 0.56 -0.20 2.41 3.38 -1.18 -0.50 115.31 123.08 2x2g h LEU 48 Ca 0.00 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.85 2x2g h LEU 48 Cb 0.71 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2x2g h LEU 48 CO 0.00 0.58 -0.19 0.00 0.09 0.00 0.00 178.44 178.91 2x2g h ALA 49 N 1.00 -0.08 -0.27 1.53 0.00 -1.77 0.11 119.26 119.78 2x2g h ALA 49 Ca 0.13 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2x2g h ALA 49 Cb 0.20 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2x2g h ALA 49 CO -0.01 -0.63 0.07 1.98 0.00 0.00 0.00 179.25 180.66 2x2g h MET 50 N -0.21 0.43 -0.66 0.00 1.85 -1.78 -2.01 114.93 112.54 2x2g h MET 50 Ca 0.12 -0.10 0.05 0.00 -0.61 0.00 0.00 59.70 59.16 2x2g h MET 50 Cb 0.40 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.32 2x2g h MET 50 CO -0.32 0.52 0.38 1.15 -0.40 0.00 0.00 176.91 178.24 2x2g h THR 51 N 0.27 0.99 -0.65 -0.77 2.02 -0.81 0.17 112.91 114.13 2x2g h THR 51 Ca 0.08 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 2x2g h THR 51 Cb 0.28 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2x2g h THR 51 CO 0.00 0.13 0.22 0.50 0.37 0.00 0.00 175.52 176.74 2x2g h LYS 52 N 0.71 1.00 -0.37 6.66 3.64 -0.59 0.78 116.57 128.40 2x2g h LYS 52 Ca 0.29 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 2x2g h LYS 52 Cb 0.15 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2x2g h LYS 52 CO -0.17 0.87 -0.18 1.49 -2.27 0.00 0.00 179.45 179.19 2x2g h GLU 53 N 0.94 0.77 0.09 1.90 4.57 -0.78 -3.36 114.58 118.71 2x2g h GLU 53 Ca 0.21 -0.34 -0.34 0.00 -1.18 0.00 0.00 59.36 57.71 2x2g h GLU 53 Cb 0.27 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2x2g h GLU 53 CO -0.01 0.96 -1.89 0.00 -1.18 0.00 0.00 179.01 176.89 2x2g h ARG 54 N 0.57 0.19 -6.24 1.92 2.47 -0.46 -3.45 114.38 109.37 2x2g h ARG 54 Ca 0.08 -0.32 -0.56 0.00 -1.26 0.00 0.00 59.98 57.92 2x2g h ARG 54 Cb 0.72 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 2x2g h ARG 54 CO 0.05 1.00 0.92 -1.17 0.56 0.00 0.00 179.97 181.33 2x2g s LEU 55 N -6.76 4.25 0.00 3.04 2.96 0.25 -4.86 118.68 117.56 2x2g s LEU 55 Ca -0.16 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 2x2g s LEU 55 Cb 0.07 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2x2g s LEU 55 CO 0.79 -0.78 0.00 -1.54 -1.32 0.00 0.00 176.35 173.50 2x2g n SER 56 N 6.34 0.22 -4.68 3.68 3.41 -1.26 -4.89 113.62 116.45 2x2g n SER 56 Ca 0.14 -0.23 -0.46 0.00 -0.26 0.00 0.00 58.87 58.06 2x2g n SER 56 Cb 0.44 0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 64.85 2x2g n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2x2g n HIS 57 N -0.52 2.33 0.03 7.33 -0.00 -1.26 -4.84 115.22 118.30 2x2g n HIS 57 Ca 0.00 0.13 0.22 0.00 -0.00 0.00 0.00 57.72 58.07 2x2g n HIS 57 Cb 0.00 -2.60 0.73 0.00 -0.00 0.00 0.00 29.99 28.12 2x2g n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2x2g h PRO 58 N 7.30 0.00 -0.07 1.57 0.11 -1.97 -0.78 132.00 138.15 2x2g h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2x2g h PRO 58 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2x2g h PRO 58 CO 0.91 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.33 2x2g n LYS 59 N -3.93 1.86 -4.20 1.05 5.02 -1.26 -4.91 118.16 111.79 2x2g n LYS 59 Ca 0.10 -1.26 -0.32 0.00 -2.02 0.00 0.00 58.31 54.80 2x2g n LYS 59 Cb 0.68 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.94 3.12 0.14 2.13 0.40 -0.30 -0.80 117.98 120.73 2x2g s PHE 60 Ca 0.35 0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.83 2x2g s PHE 60 Cb 0.20 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 2x2g s PHE 60 CO 0.31 0.49 -0.13 0.14 0.70 0.00 0.00 175.22 176.74 2x2g s VAL 61 N -1.16 1.29 0.08 -0.44 -7.23 0.26 -4.86 120.40 108.33 2x2g s VAL 61 Ca 0.22 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 2x2g s VAL 61 Cb -0.12 -1.66 -0.06 0.00 0.56 0.00 0.00 36.38 35.10 2x2g s VAL 61 CO 0.13 -0.55 0.47 -0.63 -0.31 0.00 0.00 175.10 174.21 2x2g s ILE 62 N -2.61 4.96 0.07 -0.62 1.01 -1.26 -1.15 121.20 121.60 2x2g s ILE 62 Ca 0.12 0.78 0.08 0.00 0.00 0.00 0.00 60.65 61.63 2x2g s ILE 62 Cb -0.02 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2x2g s ILE 62 CO 0.02 0.39 -0.23 0.00 0.00 0.00 0.00 174.94 175.13 2x2g s ALA 63 N -1.29 1.95 0.82 9.38 0.00 -0.05 -3.80 121.76 128.77 2x2g s ALA 63 Ca 0.31 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 2x2g s ALA 63 Cb -0.16 -0.34 0.17 0.00 0.00 0.00 0.00 23.12 22.79 2x2g s ALA 63 CO 0.17 0.43 1.07 0.00 0.00 0.00 0.00 175.76 177.43 2x2g n ALA 64 N 1.47 -0.36 -3.45 0.00 0.00 -0.20 -0.92 120.51 117.05 2x2g n ALA 64 Ca -0.18 -1.82 -0.18 0.00 0.00 0.00 0.00 53.44 51.26 2x2g n ALA 64 Cb 0.53 0.18 -0.16 0.00 0.00 0.00 0.00 19.45 20.00 2x2g n ALA 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2x2g s GLN 65 N -5.28 0.56 0.00 0.00 -0.21 -1.25 -1.12 119.66 112.36 2x2g s GLN 65 Ca 0.67 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.98 2x2g s GLN 65 Cb -0.03 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.36 2x2g s GLN 65 CO 0.45 -0.05 0.00 0.09 -2.12 0.00 0.00 175.29 173.66 2x2g n ASN 66 N 3.80 0.00 -4.69 5.90 3.02 -0.03 -4.90 115.26 118.36 2x2g n ASN 66 Ca -0.23 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.88 2x2g n ASN 66 Cb 0.52 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.20 2x2g n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x2g n ALA 67 N 0.95 1.44 -0.21 5.41 0.00 -1.26 -4.86 120.51 121.97 2x2g n ALA 67 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2x2g n ALA 67 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 1.65 0.77 3.75 0.00 0.00 -1.26 -4.93 105.19 105.17 2x2g n GLY 68 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.21 6.65 0.28 1.61 3.84 -1.26 -4.87 114.94 120.98 2x2g s ASN 69 Ca 0.00 0.78 -0.04 0.00 0.21 0.00 0.00 52.86 53.81 2x2g s ASN 69 Cb 0.00 -2.26 0.36 0.00 -0.55 0.00 0.00 41.25 38.80 2x2g s ASN 69 CO 0.00 0.09 1.93 0.00 -2.79 0.00 0.00 177.10 176.33 2x2g h ALA 70 N 6.30 1.33 -0.59 1.71 0.00 -1.97 -0.17 119.26 125.86 2x2g h ALA 70 Ca -0.43 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2x2g h ALA 70 Cb 1.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2x2g h ALA 70 CO 0.73 0.60 0.07 -0.44 0.00 0.00 0.00 179.25 180.20 2x2g h ASP 71 N 1.18 0.96 -0.56 0.00 3.32 -1.99 -1.65 116.42 117.68 2x2g h ASP 71 Ca 0.31 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2x2g h ASP 71 Cb -0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 2x2g h ASP 71 CO -0.06 0.99 0.14 0.00 -1.72 0.00 0.00 179.24 178.59 2x2g h ALA 72 N 1.00 1.11 -0.33 3.45 0.00 -1.62 -0.15 119.26 122.72 2x2g h ALA 72 Ca 0.18 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2x2g h ALA 72 Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2x2g h ALA 72 CO 0.02 0.59 -0.04 -0.07 0.00 0.00 0.00 179.25 179.75 2x2g h LEU 80 N 0.90 0.61 -0.98 0.00 3.38 -0.92 0.25 115.31 118.56 2x2g h LEU 80 Ca 0.19 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2x2g h LEU 80 Cb 0.33 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2x2g h LEU 80 CO 0.00 0.80 0.35 0.00 0.09 0.00 0.00 178.44 179.68 2x2g h ALA 81 N 0.83 1.20 -0.42 1.53 0.00 -1.00 0.11 119.26 121.50 2x2g h ALA 81 Ca 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2x2g h ALA 81 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2x2g h ALA 81 CO 0.02 0.61 0.12 1.03 0.00 0.00 0.00 179.25 181.03 2x2g h SER 82 N 1.07 0.62 -0.38 0.00 0.87 -0.74 0.22 113.55 115.22 2x2g h SER 82 Ca 0.26 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2x2g h SER 82 Cb 0.13 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2x2g h SER 82 CO -0.03 0.68 0.21 -0.07 -0.53 0.00 0.00 176.83 177.09 2x2g h LEU 83 N 0.54 0.33 -0.15 2.23 3.38 -0.42 -0.06 115.31 121.15 2x2g h LEU 83 Ca 0.13 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2x2g h LEU 83 Cb 0.29 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2x2g h LEU 83 CO -0.00 0.24 -0.14 0.11 0.09 0.00 0.00 178.44 178.74 2x2g h LYS 84 N 0.43 -0.15 -0.12 1.13 1.79 -0.45 -0.97 116.57 118.23 2x2g h LYS 84 Ca 0.15 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 2x2g h LYS 84 Cb 0.03 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2x2g h LYS 84 CO -0.08 -0.10 0.09 -0.44 -1.08 0.00 0.00 179.45 177.84 2x2g h ASP 85 N -0.15 0.00 1.10 0.86 3.32 -0.56 0.76 116.42 121.75 2x2g h ASP 85 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2x2g h ASP 85 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2x2g h ASP 85 CO -0.25 0.00 0.00 0.33 -1.72 0.00 0.00 179.24 177.60 2x2g n PHE 86 N -4.42 0.81 0.00 4.55 7.35 -0.07 -4.89 117.46 120.79 2x2g n PHE 86 Ca -0.00 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 2x2g n PHE 86 Cb 0.21 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.10 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 0.72 1.01 3.62 7.13 0.00 0.26 -5.08 105.19 112.85 2x2g n GLY 87 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 5.16 -0.39 1.61 1.01 -0.56 -4.92 120.40 120.32 2x2g s VAL 88 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.69 2x2g s VAL 88 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2x2g s VAL 88 CO 0.00 0.17 0.43 0.59 0.00 0.00 0.00 175.10 176.29 2x2g n ASN 89 N 5.15 0.84 -4.30 3.32 5.03 -1.26 -3.57 115.26 120.47 2x2g n ASN 89 Ca -0.08 -0.92 -0.24 0.00 0.87 0.00 0.00 54.58 54.21 2x2g n ASN 89 Cb 0.51 0.45 -0.12 0.00 -1.02 0.00 0.00 39.78 39.59 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 -0.82 1.84 -0.07 3.10 0.52 -1.25 -0.14 118.94 122.11 2x2g s TRP 90 Ca 0.04 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.63 2x2g s TRP 90 Cb 0.03 -0.99 0.02 0.00 -1.15 0.00 0.00 33.47 31.38 2x2g s TRP 90 CO 0.10 0.23 0.27 -1.50 0.02 0.00 0.00 176.95 176.08 2x2g s ILE 91 N -1.26 0.03 -0.17 2.03 2.07 -0.42 -1.04 121.20 122.43 2x2g s ILE 91 Ca 0.08 -0.21 -0.06 0.00 -1.41 0.00 0.00 60.65 59.05 2x2g s ILE 91 Cb -0.09 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.00 2x2g s ILE 91 CO 0.05 -0.12 0.02 -0.69 -1.91 0.00 0.00 174.94 172.29 2x2g s VAL 92 N -0.43 4.43 0.06 4.00 1.01 -0.28 -0.45 120.40 128.74 2x2g s VAL 92 Ca -0.05 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2x2g s VAL 92 Cb -0.04 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2x2g s VAL 92 CO 0.02 0.47 -0.10 -0.76 0.00 0.00 0.00 175.10 174.72 2x2g s LEU 93 N 0.40 2.28 -0.01 3.92 1.43 -0.31 -0.85 118.68 125.55 2x2g s LEU 93 Ca 0.00 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2x2g s LEU 93 Cb -0.13 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.79 2x2g s LEU 93 CO 0.01 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2x2g n GLY 94 N 1.28 0.48 3.68 -3.19 0.00 -1.26 -0.45 105.19 105.73 2x2g n GLY 94 Ca -0.21 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.98 1.37 -0.40 1.61 -0.00 -1.26 -4.44 115.22 109.11 2x2g n HIS 95 Ca -0.00 0.41 -0.07 0.00 0.46 0.00 0.00 57.72 58.52 2x2g n HIS 95 Cb 0.01 -2.17 -0.05 0.00 -0.12 0.00 0.00 29.99 27.66 2x2g n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2x2g n SER 96 N -2.04 -0.90 0.27 0.26 3.41 -1.26 -0.28 113.62 113.08 2x2g n SER 96 Ca 0.15 1.76 0.13 0.00 -0.26 0.00 0.00 58.87 60.64 2x2g n SER 96 Cb 0.49 -0.29 0.77 0.00 -0.26 0.00 0.00 64.21 64.92 2x2g n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2x2g h GLU 97 N 0.00 0.00 -0.79 4.33 9.09 -1.97 0.13 114.58 125.37 2x2g h GLU 97 Ca 0.23 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.68 2x2g h GLU 97 Cb 0.48 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.53 2x2g h GLU 97 CO -0.95 0.09 0.52 0.00 0.05 0.00 0.00 179.01 178.71 2x2g h ARG 98 N 0.00 0.94 0.00 1.06 2.47 -0.95 0.86 114.38 118.75 2x2g h ARG 98 Ca -0.00 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.61 2x2g h ARG 98 Cb 0.22 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2x2g h ARG 98 CO 0.01 0.62 -0.31 0.00 0.56 0.00 0.00 179.97 180.85 2x2g h ARG 99 N 0.97 0.00 0.00 0.04 3.08 -0.77 0.26 114.38 117.96 2x2g h ARG 99 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2x2g h ARG 99 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2x2g h ARG 99 CO -0.09 0.79 -0.41 0.11 -1.07 0.00 0.00 179.97 179.30 2x2g h TRP 100 N -1.00 0.00 0.00 3.04 5.08 -1.19 -3.13 115.95 118.75 2x2g h TRP 100 Ca -0.08 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.78 2x2g h TRP 100 Cb 0.89 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.03 2x2g h TRP 100 CO 0.17 0.00 -1.19 0.98 -1.28 0.00 0.00 178.44 177.12 2x2g n TYR 101 N -2.55 0.00 1.09 0.12 9.36 0.20 -4.72 117.16 120.65 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 0.49 -0.29 0.63 0.00 -0.63 0.00 0.00 39.34 39.53 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 -3.54 0.00 -1.93 2.98 4.01 -0.63 -4.90 117.16 113.15 2x2g n TYR 102 Ca -0.15 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.52 2x2g n TYR 102 Cb 0.50 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.20 0.27 3.59 2.72 0.00 -0.72 -4.96 105.19 107.29 2x2g n GLY 103 Ca 0.09 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.98 3.45 0.86 1.61 2.02 0.85 -4.97 118.70 118.54 2x2g s GLU 104 Ca 0.00 0.88 -0.12 0.00 0.02 0.00 0.00 54.97 55.75 2x2g s GLU 104 Cb 0.00 -4.08 0.11 0.00 0.10 0.00 0.00 34.13 30.26 2x2g s GLU 104 CO 0.00 -1.72 1.11 0.95 0.02 0.00 0.00 175.26 175.62 2x2g s THR 105 N 5.87 2.57 0.29 3.63 -4.23 -1.26 -4.21 115.64 118.31 2x2g s THR 105 Ca 0.62 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 2x2g s THR 105 Cb -0.14 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.12 2x2g s THR 105 CO 0.31 -0.24 1.68 0.78 -0.54 0.00 0.00 174.62 176.60 2x2g h ASN 106 N -1.35 0.25 -0.07 3.99 2.35 -1.95 0.11 115.58 118.91 2x2g h ASN 106 Ca -0.49 0.17 -0.20 0.00 -0.55 0.00 0.00 56.30 55.23 2x2g h ASN 106 Cb 1.30 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.84 2x2g h ASN 106 CO 0.59 -0.06 -0.67 -0.33 -1.65 0.00 0.00 177.43 175.31 2x2g h GLU 107 N 0.34 0.69 -0.21 0.81 3.07 -1.92 -0.69 114.58 116.67 2x2g h GLU 107 Ca 0.57 -0.51 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 2x2g h GLU 107 Cb 1.13 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 2x2g h GLU 107 CO -0.57 1.13 0.05 0.82 -1.40 0.00 0.00 179.01 179.04 2x2g h ILE 108 N 0.50 1.21 -0.30 3.13 2.04 -1.57 0.16 117.51 122.68 2x2g h ILE 108 Ca -0.02 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.20 2x2g h ILE 108 Cb 1.27 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 2x2g h ILE 108 CO 0.13 0.22 0.02 0.58 0.00 0.00 0.00 178.15 179.10 2x2g h VAL 109 N 0.16 0.81 -0.79 1.67 2.07 -0.99 -0.82 116.25 118.37 2x2g h VAL 109 Ca 0.07 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2x2g h VAL 109 Cb 0.28 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2x2g h VAL 109 CO 0.00 0.02 0.49 0.00 0.02 0.00 0.00 177.57 178.10 2x2g h ALA 110 N 1.24 1.06 -0.76 1.67 0.00 -0.84 0.12 119.26 121.76 2x2g h ALA 110 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2x2g h ALA 110 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2x2g h ALA 110 CO -0.22 0.24 0.27 -0.44 0.00 0.00 0.00 179.25 179.10 2x2g h ASP 111 N 0.91 1.08 -0.58 0.00 3.32 -0.31 0.56 116.42 121.40 2x2g h ASP 111 Ca 0.34 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2x2g h ASP 111 Cb 0.12 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2x2g h ASP 111 CO -0.15 0.98 0.10 0.11 -1.72 0.00 0.00 179.24 178.56 2x2g h LYS 112 N 1.12 0.95 -0.36 3.56 1.57 -0.22 0.11 116.57 123.29 2x2g h LYS 112 Ca 0.25 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2x2g h LYS 112 Cb 0.26 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2x2g h LYS 112 CO -0.01 0.90 0.23 0.28 -0.57 0.00 0.00 179.45 180.28 2x2g h VAL 113 N 0.85 1.08 -0.24 0.50 2.07 -0.48 0.16 116.25 120.19 2x2g h VAL 113 Ca 0.18 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2x2g h VAL 113 Cb 0.40 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2x2g h VAL 113 CO 0.01 0.09 0.14 0.00 0.02 0.00 0.00 177.57 177.82 2x2g h ALA 114 N 1.14 0.31 -0.74 1.67 0.00 -0.71 0.13 119.26 121.06 2x2g h ALA 114 Ca 0.14 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2x2g h ALA 114 Cb -0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2x2g h ALA 114 CO -0.04 -0.16 0.44 0.00 0.00 0.00 0.00 179.25 179.49 2x2g h ALA 115 N 1.02 1.01 -0.32 0.00 0.00 -0.65 -0.00 119.26 120.32 2x2g h ALA 115 Ca 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2x2g h ALA 115 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2x2g h ALA 115 CO -0.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2x2g h ALA 116 N 1.37 0.43 -0.55 0.00 0.00 -0.27 -0.68 119.26 119.56 2x2g h ALA 116 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2x2g h ALA 116 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2x2g h ALA 116 CO -0.18 0.18 0.31 0.28 0.00 0.00 0.00 179.25 179.85 2x2g h VAL 117 N 0.36 1.17 -0.92 0.00 2.07 -0.69 -0.19 116.25 118.06 2x2g h VAL 117 Ca 0.09 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.25 2x2g h VAL 117 Cb 0.44 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2x2g h VAL 117 CO 0.02 0.18 0.60 0.00 0.02 0.00 0.00 177.57 178.39 2x2g h ALA 118 N 1.15 1.48 0.00 1.67 0.00 -0.83 -0.57 119.26 122.16 2x2g h ALA 118 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2x2g h ALA 118 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2x2g h ALA 118 CO -0.03 0.39 0.00 0.43 0.00 0.00 0.00 179.25 180.03 2x2g n SER 119 N -4.48 0.00 0.00 0.00 7.64 -0.28 -4.87 113.62 111.63 2x2g n SER 119 Ca 0.14 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.36 2x2g n SER 119 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.67 0.58 3.90 0.23 0.00 -0.22 -4.89 105.19 105.45 2x2g n GLY 120 Ca 0.08 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 3.47 0.01 1.61 0.40 -0.16 -4.94 117.98 116.36 2x2g s PHE 121 Ca 0.00 0.69 -0.23 0.00 -0.60 0.00 0.00 56.93 56.79 2x2g s PHE 121 Cb 0.00 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 2x2g s PHE 121 CO 0.00 0.20 0.69 -1.64 0.70 0.00 0.00 175.22 175.16 2x2g s MET 122 N -3.38 4.42 -0.12 0.44 -1.94 0.80 -4.48 119.30 115.04 2x2g s MET 122 Ca 0.45 0.91 0.02 0.00 -1.71 0.00 0.00 55.69 55.36 2x2g s MET 122 Cb -0.11 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 33.37 2x2g s MET 122 CO 0.28 0.28 -0.19 0.08 -0.01 0.00 0.00 175.02 175.46 2x2g s VAL 123 N 0.03 1.77 -0.49 -6.03 1.01 0.11 -1.30 120.40 115.50 2x2g s VAL 123 Ca 0.35 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2x2g s VAL 123 Cb -0.19 -1.58 0.07 0.00 0.00 0.00 0.00 36.38 34.67 2x2g s VAL 123 CO 0.20 0.50 0.48 -0.63 0.00 0.00 0.00 175.10 175.65 2x2g s ILE 124 N 0.81 5.10 -0.23 2.22 1.01 0.40 0.78 121.20 131.30 2x2g s ILE 124 Ca -0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 2x2g s ILE 124 Cb -0.16 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 2x2g s ILE 124 CO 0.00 -0.67 0.23 0.00 0.00 0.00 0.00 174.94 174.50 2x2g s ALA 125 N 2.01 3.60 -0.06 9.38 0.00 0.94 -1.16 121.76 136.45 2x2g s ALA 125 Ca 0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 2x2g s ALA 125 Cb -0.23 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2x2g s ALA 125 CO 0.08 -0.22 0.34 0.00 0.00 0.00 0.00 175.76 175.96 2x2g s ILE 127 N -0.66 0.40 0.00 0.00 -4.36 0.06 -4.61 121.20 112.03 2x2g s ILE 127 Ca 0.21 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 2x2g s ILE 127 Cb -0.15 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.59 2x2g s ILE 127 CO 0.09 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.31 2x2g n GLY 128 N -0.12 3.62 3.90 6.27 0.00 -1.26 -0.55 105.19 117.05 2x2g n GLY 128 Ca -0.08 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.36 3.23 0.77 1.61 1.03 -1.26 -4.71 118.70 117.01 2x2g s GLU 129 Ca 0.00 -0.80 -0.09 0.00 0.03 0.00 0.00 54.97 54.11 2x2g s GLU 129 Cb 0.00 -2.80 0.09 0.00 -0.80 0.00 0.00 34.13 30.62 2x2g s GLU 129 CO 0.00 0.46 1.10 0.95 -1.33 0.00 0.00 175.26 176.44 2x2g s THR 130 N -1.90 2.15 0.17 1.83 -4.23 -1.26 -0.76 115.64 111.64 2x2g s THR 130 Ca 0.33 -0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 2x2g s THR 130 Cb -0.10 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 70.83 2x2g s THR 130 CO 0.27 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.43 2x2g h LEU 131 N -0.87 0.56 -0.54 4.79 5.85 -1.96 0.98 115.31 124.12 2x2g h LEU 131 Ca -0.44 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.31 2x2g h LEU 131 Cb 1.30 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2x2g h LEU 131 CO 0.56 0.41 0.29 -0.61 -0.34 0.00 0.00 178.44 178.75 2x2g h GLN 132 N 0.67 0.54 -0.47 1.25 -0.00 -1.98 0.23 115.11 115.35 2x2g h GLN 132 Ca 0.18 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.75 2x2g h GLN 132 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.27 2x2g h GLN 132 CO -0.04 0.36 0.09 0.93 0.00 0.00 0.00 178.83 180.17 2x2g h GLU 133 N 0.56 0.77 -0.11 1.69 5.08 -1.84 -1.36 114.58 119.36 2x2g h GLU 133 Ca 0.24 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2x2g h GLU 133 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2x2g h GLU 133 CO -0.15 0.77 0.07 -0.09 -1.00 0.00 0.00 179.01 178.61 2x2g h ARG 134 N 0.64 0.15 0.00 2.33 9.65 -0.23 0.14 114.38 127.06 2x2g h ARG 134 Ca 0.14 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2x2g h ARG 134 Cb 0.37 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2x2g h ARG 134 CO 0.01 0.14 0.00 0.93 2.80 0.00 0.00 179.97 183.85 2x2g h GLU 135 N 0.12 0.00 -0.67 0.20 5.08 -0.44 -2.22 114.58 116.65 2x2g h GLU 135 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2x2g h GLU 135 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2x2g h GLU 135 CO -0.01 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.87 2x2g n SER 136 N -2.61 4.17 -0.37 1.42 3.41 -0.52 -4.92 113.62 114.18 2x2g n SER 136 Ca 0.02 -2.25 -0.05 0.00 -0.26 0.00 0.00 58.87 56.33 2x2g n SER 136 Cb 0.31 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.30 0.75 1.42 5.00 0.00 -0.84 -4.91 105.19 107.91 2x2g n GLY 137 Ca 0.24 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.65 3.60 0.04 1.61 1.74 0.46 -4.57 116.66 116.89 2x2g n ARG 138 Ca -0.05 -2.81 -0.11 0.00 -0.77 0.00 0.00 57.85 54.12 2x2g n ARG 138 Cb 0.19 -1.83 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 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 3.60 0.55 0.24 0.55 2.02 -1.83 -0.77 112.91 117.27 2x2g h THR 139 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2x2g h THR 139 Cb 1.39 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2x2g h THR 139 CO 0.21 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.99 2x2g h ALA 140 N 0.66 -0.32 -0.75 6.16 0.00 -1.94 -0.36 119.26 122.71 2x2g h ALA 140 Ca 0.07 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2x2g h ALA 140 Cb 0.37 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2x2g h ALA 140 CO -0.20 -0.64 0.42 -0.24 0.00 0.00 0.00 179.25 178.58 2x2g h VAL 141 N -0.40 0.92 0.45 0.00 3.04 -1.85 -0.57 116.25 117.84 2x2g h VAL 141 Ca -0.03 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.39 2x2g h VAL 141 Cb 0.31 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 2x2g h VAL 141 CO 0.05 0.13 -0.22 0.58 -1.01 0.00 0.00 177.57 177.11 2x2g h VAL 142 N 0.73 0.55 -0.32 1.51 2.07 -0.82 -0.47 116.25 119.50 2x2g h VAL 142 Ca 0.35 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.61 2x2g h VAL 142 Cb 0.29 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2x2g h VAL 142 CO -0.23 0.03 -0.22 0.58 0.02 0.00 0.00 177.57 177.76 2x2g h VAL 143 N -0.70 1.26 -0.02 2.57 2.07 -0.85 -0.90 116.25 119.68 2x2g h VAL 143 Ca -0.06 -1.26 -0.16 0.00 0.82 0.00 0.00 66.70 66.04 2x2g h VAL 143 Cb 0.51 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2x2g h VAL 143 CO 0.10 0.41 -0.70 -0.07 0.02 0.00 0.00 177.57 177.33 2x2g h LEU 144 N 0.53 0.16 -0.56 2.57 3.38 -1.12 -2.10 115.31 118.18 2x2g h LEU 144 Ca 0.08 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2x2g h LEU 144 Cb 0.66 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2x2g h LEU 144 CO 0.05 0.80 -0.26 0.74 0.09 0.00 0.00 178.44 179.86 2x2g h THR 145 N 0.09 1.27 -0.29 0.22 2.02 -0.67 -0.15 112.91 115.40 2x2g h THR 145 Ca -0.01 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 2x2g h THR 145 Cb 1.24 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2x2g h THR 145 CO 0.10 0.48 0.07 1.56 0.37 0.00 0.00 175.52 178.09 2x2g h GLN 146 N 0.76 0.47 -0.05 6.66 4.20 -0.98 -2.14 115.11 124.04 2x2g h GLN 146 Ca 0.09 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.51 2x2g h GLN 146 Cb 0.81 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2x2g h GLN 146 CO 0.07 0.56 -0.74 0.97 -0.67 0.00 0.00 178.83 179.02 2x2g h ILE 147 N 0.31 1.41 -0.89 2.54 2.10 -1.38 -2.87 117.51 118.73 2x2g h ILE 147 Ca 0.09 -2.24 0.03 0.00 1.08 0.00 0.00 64.86 63.82 2x2g h ILE 147 Cb 0.30 2.19 -0.05 0.00 -1.09 0.00 0.00 36.82 38.17 2x2g h ILE 147 CO 0.00 0.66 0.58 0.00 -1.08 0.00 0.00 178.15 178.32 2x2g h ALA 148 N 1.01 1.16 -0.88 0.18 0.00 -0.91 0.16 119.26 119.98 2x2g h ALA 148 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2x2g h ALA 148 Cb 1.31 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2x2g h ALA 148 CO 0.12 0.46 0.47 0.00 0.00 0.00 0.00 179.25 180.31 2x2g h ALA 149 N 1.35 1.13 -0.05 0.00 0.00 -1.25 0.43 119.26 120.88 2x2g h ALA 149 Ca 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2x2g h ALA 149 Cb -0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 2x2g h ALA 149 CO -0.10 0.65 0.01 0.82 0.00 0.00 0.00 179.25 180.63 2x2g h ILE 150 N 1.23 1.19 -0.67 0.00 2.04 -1.08 -3.03 117.51 117.20 2x2g h ILE 150 Ca 0.31 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.62 2x2g h ILE 150 Cb 0.04 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2x2g h ILE 150 CO -0.05 0.16 0.44 0.00 0.00 0.00 0.00 178.15 178.70 2x2g h ALA 151 N 0.79 1.64 -0.59 1.87 0.00 -0.30 -1.75 119.26 120.91 2x2g h ALA 151 Ca 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2x2g h ALA 151 Cb 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2x2g h ALA 151 CO 0.00 0.29 0.40 -0.22 0.00 0.00 0.00 179.25 179.72 2x2g h LYS 152 N 0.79 0.29 -0.25 0.00 3.64 -0.79 -1.20 116.57 119.05 2x2g h LYS 152 Ca 0.27 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2x2g h LYS 152 Cb 0.08 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2x2g h LYS 152 CO -0.07 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 178.93 2x2g n LYS 153 N -4.45 2.14 -4.51 1.90 4.76 -0.66 -4.93 118.16 112.41 2x2g n LYS 153 Ca 0.10 -1.71 -0.25 0.00 -2.87 0.00 0.00 58.31 53.58 2x2g n LYS 153 Cb 0.45 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.59 2.73 0.44 -0.35 1.43 -0.45 -4.79 118.68 116.10 2x2g s LEU 154 Ca 0.35 -1.14 0.07 0.00 -1.03 0.00 0.00 54.13 52.39 2x2g s LEU 154 Cb 0.20 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 2x2g s LEU 154 CO 0.29 -0.15 0.38 -1.59 0.23 0.00 0.00 176.35 175.51 2x2g s LYS 155 N -3.60 2.45 0.16 1.70 -2.85 -1.26 -4.96 119.74 111.38 2x2g s LYS 155 Ca 0.32 -1.64 -0.15 0.00 -1.00 0.00 0.00 55.97 53.50 2x2g s LYS 155 Cb 0.01 -2.31 0.06 0.00 -2.06 0.00 0.00 37.83 33.52 2x2g s LYS 155 CO 0.16 -0.28 1.80 -0.22 0.10 0.00 0.00 175.35 176.92 2x2g h LYS 156 N 0.99 0.49 -0.01 1.78 3.64 -1.95 -1.57 116.57 119.93 2x2g h LYS 156 Ca -0.40 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2x2g h LYS 156 Cb 1.27 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2x2g h LYS 156 CO 0.58 0.32 0.02 0.00 -2.27 0.00 0.00 179.45 178.10 2x2g h ALA 157 N 1.20 1.29 0.00 5.00 0.00 -1.99 -1.77 119.26 122.98 2x2g h ALA 157 Ca 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2x2g h ALA 157 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2x2g h ALA 157 CO -0.09 -0.02 -0.18 -0.44 0.00 0.00 0.00 179.25 178.52 2x2g h ASP 158 N 0.00 0.00 0.38 0.00 3.32 -1.68 -2.87 116.42 115.57 2x2g h ASP 158 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x2g h ASP 158 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2x2g h ASP 158 CO -0.00 0.18 0.00 -0.50 -1.72 0.00 0.00 179.24 177.20 2x2g h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.43 0.24 115.95 123.36 2x2g h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2x2g h TRP 159 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 2x2g h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2x2g h ALA 160 N 2.07 1.00 -0.31 1.49 0.00 -1.71 -2.27 119.26 119.54 2x2g h ALA 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x2g h ALA 160 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2x2g h ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2x2g n LYS 161 N -2.59 2.25 -4.34 0.00 4.76 0.83 -4.98 118.16 114.09 2x2g n LYS 161 Ca -0.01 -1.93 -0.34 0.00 -2.87 0.00 0.00 58.31 53.17 2x2g n LYS 161 Cb 0.14 -1.32 -0.12 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.05 4.06 -0.02 -0.18 1.01 -0.85 0.03 120.40 123.40 2x2g s VAL 162 Ca 0.25 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.01 2x2g s VAL 162 Cb 0.14 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2x2g s VAL 162 CO 0.19 0.50 -0.25 -0.69 0.00 0.00 0.00 175.10 174.85 2x2g s VAL 163 N 0.26 1.93 -0.19 2.92 1.01 0.23 -4.56 120.40 122.01 2x2g s VAL 163 Ca -0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 2x2g s VAL 163 Cb -0.14 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2x2g s VAL 163 CO 0.02 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.07 2x2g s ILE 164 N -0.57 4.34 -0.25 2.22 -1.09 -0.59 -0.04 121.20 125.23 2x2g s ILE 164 Ca 0.09 -0.19 -0.08 0.00 -2.23 0.00 0.00 60.65 58.25 2x2g s ILE 164 Cb -0.09 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2x2g s ILE 164 CO -0.01 0.44 0.08 0.00 -1.23 0.00 0.00 174.94 174.22 2x2g s ALA 165 N 0.66 3.20 -0.33 9.38 0.00 -0.02 0.59 121.76 135.24 2x2g s ALA 165 Ca 0.01 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 2x2g s ALA 165 Cb -0.14 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 2x2g s ALA 165 CO 0.02 -0.44 0.53 -0.47 0.00 0.00 0.00 175.76 175.40 2x2g s TYR 166 N 1.53 3.19 -0.23 0.00 5.04 0.11 -0.76 117.35 126.23 2x2g s TYR 166 Ca 0.06 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2x2g s TYR 166 Cb -0.15 -2.92 0.06 0.00 0.35 0.00 0.00 41.96 39.30 2x2g s TYR 166 CO 0.04 -0.50 -0.04 -1.21 -1.34 0.00 0.00 175.55 172.50 2x2g s GLU 167 N 2.43 1.49 -0.06 4.97 2.02 0.28 -1.12 118.70 128.70 2x2g s GLU 167 Ca 0.20 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 2x2g s GLU 167 Cb -0.15 -2.53 -0.06 0.00 0.10 0.00 0.00 34.13 31.49 2x2g s GLU 167 CO 0.13 -0.61 1.67 -2.14 0.02 0.00 0.00 175.26 174.33 2x2g s PRO 168 N 1.45 4.16 0.37 0.39 0.02 -1.25 -4.10 135.00 136.05 2x2g s PRO 168 Ca -0.05 2.19 0.11 0.00 0.02 0.00 0.00 61.00 63.28 2x2g s PRO 168 Cb -0.19 -4.00 0.89 0.00 0.02 0.00 0.00 34.50 31.23 2x2g s PRO 168 CO -0.07 -0.87 1.87 0.28 -0.33 0.00 0.00 177.00 177.88 2x2g h VAL 169 N 5.60 0.80 0.00 3.83 2.07 -1.23 0.86 116.25 128.18 2x2g h VAL 169 Ca -0.40 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2x2g h VAL 169 Cb 1.18 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2x2g h VAL 169 CO 0.95 0.11 0.00 -2.67 0.02 0.00 0.00 177.57 175.98 2x2g n TRP 170 N -4.55 0.00 0.58 1.57 4.27 -1.26 -1.92 117.44 116.13 2x2g n TRP 170 Ca 0.17 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.85 2x2g n TRP 170 Cb 0.52 -0.38 0.02 0.00 -1.36 0.00 0.00 31.31 30.11 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 -1.38 2.84 -2.55 -1.67 0.00 0.30 -4.52 120.51 113.54 2x2g n ALA 171 Ca 0.02 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 2x2g n ALA 171 Cb 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.49 4.93 0.00 0.00 1.01 -0.81 -1.11 121.20 123.74 2x2g s ILE 172 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.10 2x2g s ILE 172 Cb 0.11 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2x2g s ILE 172 CO 0.28 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2x2g n GLY 173 N 4.83 0.31 0.13 6.18 0.00 -1.26 -4.85 105.19 110.53 2x2g n GLY 173 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.48 0.00 -0.81 2.61 -2.24 -1.26 -4.95 114.28 105.15 2x2g n THR 174 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2x2g n THR 174 Cb 0.20 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 1.39 0.59 3.32 3.38 0.00 -1.26 -4.95 105.19 107.67 2x2g n GLY 175 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 2x2g n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x2g s LYS 176 N -0.41 3.52 0.42 1.61 2.47 -1.26 -5.04 119.74 121.05 2x2g s LYS 176 Ca 0.00 -2.38 -0.22 0.00 -1.56 0.00 0.00 55.97 51.81 2x2g s LYS 176 Cb 0.00 -4.40 -0.10 0.00 -1.46 0.00 0.00 37.83 31.87 2x2g s LYS 176 CO 0.00 -1.29 0.99 0.54 0.16 0.00 0.00 175.35 175.74 2x2g s VAL 177 N 0.32 4.12 0.33 4.02 0.11 -1.26 -3.99 120.40 124.04 2x2g s VAL 177 Ca 0.16 1.42 -0.29 0.00 -2.93 0.00 0.00 61.98 60.34 2x2g s VAL 177 Cb -0.13 -3.63 -0.11 0.00 -1.53 0.00 0.00 36.38 30.98 2x2g s VAL 177 CO -0.07 -0.18 1.44 0.00 -3.33 0.00 0.00 175.10 172.95 2x2g s ALA 178 N -1.97 3.59 0.86 1.54 0.00 -1.26 -4.99 121.76 119.53 2x2g s ALA 178 Ca 0.61 1.44 -0.10 0.00 0.00 0.00 0.00 51.96 53.90 2x2g s ALA 178 Cb -0.14 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.52 2x2g s ALA 178 CO 0.18 -0.87 1.12 0.95 0.00 0.00 0.00 175.76 177.14 2x2g s THR 179 N -0.73 2.64 0.28 0.00 -4.23 -1.26 -4.75 115.64 107.59 2x2g s THR 179 Ca 0.55 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 2x2g s THR 179 Cb -0.44 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.22 2x2g s THR 179 CO 0.54 -0.27 1.79 -0.65 -0.54 0.00 0.00 174.62 175.48 2x2g h PRO 180 N -1.56 0.75 -0.40 3.99 0.11 -1.94 -1.10 132.00 131.86 2x2g h PRO 180 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2x2g h PRO 180 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2x2g h PRO 180 CO 0.47 0.50 0.01 0.37 -0.21 0.00 0.00 178.00 179.14 2x2g h GLN 181 N 0.78 0.69 -0.62 1.05 4.15 -1.98 0.57 115.11 119.75 2x2g h GLN 181 Ca 0.52 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 2x2g h GLN 181 Cb 0.72 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 2x2g h GLN 181 CO -0.35 0.78 0.31 1.96 -1.93 0.00 0.00 178.83 179.60 2x2g h GLN 182 N 0.52 0.88 0.01 1.69 4.20 -1.79 0.24 115.11 120.87 2x2g h GLN 182 Ca 0.11 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2x2g h GLN 182 Cb 0.46 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2x2g h GLN 182 CO 0.02 0.69 -0.01 0.00 -0.67 0.00 0.00 178.83 178.86 2x2g h ALA 183 N 1.14 -0.02 -0.61 3.87 0.00 -1.02 -0.99 119.26 121.63 2x2g h ALA 183 Ca 0.21 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2x2g h ALA 183 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2x2g h ALA 183 CO -0.03 -0.35 0.32 0.37 0.00 0.00 0.00 179.25 179.57 2x2g h GLN 184 N -0.35 0.59 -0.55 0.00 5.75 -0.80 0.63 115.11 120.37 2x2g h GLN 184 Ca -0.00 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 2x2g h GLN 184 Cb 0.34 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2x2g h GLN 184 CO 0.00 0.39 -0.08 0.93 -2.65 0.00 0.00 178.83 177.42 2x2g h GLU 185 N 0.60 1.03 -0.43 1.69 5.08 -0.85 0.31 114.58 122.02 2x2g h GLU 185 Ca 0.27 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2x2g h GLU 185 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2x2g h GLU 185 CO -0.18 1.05 0.17 0.00 -1.00 0.00 0.00 179.01 179.05 2x2g h ALA 186 N 0.97 0.56 -0.59 3.43 0.00 -0.65 -1.37 119.26 121.62 2x2g h ALA 186 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2x2g h ALA 186 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2x2g h ALA 186 CO 0.04 0.16 0.09 0.45 0.00 0.00 0.00 179.25 180.00 2x2g h HIS 187 N 0.55 1.04 -0.77 0.00 3.86 -0.60 -0.91 115.15 118.33 2x2g h HIS 187 Ca 0.14 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2x2g h HIS 187 Cb 0.19 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 2x2g h HIS 187 CO 0.00 0.90 0.42 0.00 0.86 0.00 0.00 177.93 180.11 2x2g h ALA 188 N 1.01 1.29 0.04 2.45 0.00 -0.20 0.43 119.26 124.27 2x2g h ALA 188 Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2x2g h ALA 188 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2x2g h ALA 188 CO 0.01 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 2x2g h LEU 189 N 1.07 -0.04 -0.41 0.00 5.85 -0.81 0.15 115.31 121.12 2x2g h LEU 189 Ca 0.27 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2x2g h LEU 189 Cb 0.03 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2x2g h LEU 189 CO -0.04 0.22 0.09 0.40 -0.34 0.00 0.00 178.44 178.77 2x2g h ILE 190 N -0.30 0.80 -0.43 4.05 2.04 -0.81 -1.10 117.51 121.77 2x2g h ILE 190 Ca -0.00 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 2x2g h ILE 190 Cb 0.28 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2x2g h ILE 190 CO 0.01 0.04 -0.20 -0.09 0.00 0.00 0.00 178.15 177.91 2x2g h ARG 191 N 0.23 0.84 -0.90 2.37 2.43 -0.71 -0.85 114.38 117.79 2x2g h ARG 191 Ca 0.20 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2x2g h ARG 191 Cb 0.23 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2x2g h ARG 191 CO -0.25 0.97 0.60 1.03 -1.51 0.00 0.00 179.97 180.80 2x2g h SER 192 N 0.74 1.03 -0.30 -3.80 0.87 -0.32 0.25 113.55 112.02 2x2g h SER 192 Ca 0.10 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2x2g h SER 192 Cb 0.73 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2x2g h SER 192 CO 0.06 0.75 -0.10 -0.25 -0.53 0.00 0.00 176.83 176.76 2x2g h TRP 193 N 1.22 0.68 -0.55 2.24 7.01 -0.73 -1.65 115.95 124.17 2x2g h TRP 193 Ca 0.33 -0.15 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2x2g h TRP 193 Cb -0.14 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 2x2g h TRP 193 CO -0.01 0.80 0.30 0.28 -2.79 0.00 0.00 178.44 177.02 2x2g h VAL 194 N 0.36 1.18 -0.35 2.65 2.07 -0.81 0.11 116.25 121.46 2x2g h VAL 194 Ca 0.07 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2x2g h VAL 194 Cb 0.59 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2x2g h VAL 194 CO 0.03 0.20 0.13 -1.28 0.02 0.00 0.00 177.57 176.67 2x2g h SER 195 N 0.73 0.14 -0.34 0.57 0.87 -0.28 0.18 113.55 115.42 2x2g h SER 195 Ca 0.19 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.67 2x2g h SER 195 Cb 0.05 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2x2g h SER 195 CO -0.03 0.11 -0.26 0.28 -0.53 0.00 0.00 176.83 176.40 2x2g h SER 196 N 0.28 0.81 0.41 6.23 0.02 -0.92 -2.55 113.55 117.83 2x2g h SER 196 Ca 0.16 -0.45 -0.30 0.00 -0.84 0.00 0.00 61.79 60.36 2x2g h SER 196 Cb 0.13 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 2x2g h SER 196 CO -0.16 1.09 -1.81 0.29 -1.14 0.00 0.00 176.83 175.10 2x2g n LYS 197 N -4.24 0.64 -0.05 3.45 4.76 0.35 -4.65 118.16 118.43 2x2g n LYS 197 Ca -0.03 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.58 2x2g n LYS 197 Cb 0.46 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 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 -3.03 0.58 0.00 -0.18 2.08 0.53 -5.06 119.36 114.29 2x2g n ILE 198 Ca -0.20 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 62.92 2x2g n ILE 198 Cb 1.06 -1.15 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 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 2.76 4.22 0.28 7.39 0.00 -0.66 -4.88 105.19 114.30 2x2g n GLY 199 Ca -0.19 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.29 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 1.61 -0.05 4.61 0.00 -1.80 -0.61 119.26 123.02 2x2g h ALA 200 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2x2g h ALA 200 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2x2g h ALA 200 CO 0.00 0.31 0.02 0.38 0.00 0.00 0.00 179.25 179.96 2x2g h ASP 201 N 0.45 0.06 -0.38 0.00 3.04 -1.92 -1.73 116.42 115.94 2x2g h ASP 201 Ca 0.11 -0.14 -0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2x2g h ASP 201 Cb 0.11 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.37 2x2g h ASP 201 CO -0.01 0.18 0.22 0.58 -2.04 0.00 0.00 179.24 178.17 2x2g h VAL 202 N -0.07 1.13 -0.80 4.15 2.07 -1.84 -2.89 116.25 118.02 2x2g h VAL 202 Ca 0.02 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2x2g h VAL 202 Cb 0.14 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 2x2g h VAL 202 CO -0.00 0.13 0.46 0.00 0.02 0.00 0.00 177.57 178.18 2x2g h ALA 203 N 1.09 1.12 0.00 1.67 0.00 -0.91 -0.30 119.26 121.92 2x2g h ALA 203 Ca 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2x2g h ALA 203 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2x2g h ALA 203 CO -0.02 0.11 -0.33 0.78 0.00 0.00 0.00 179.25 179.79 2x2g h GLY 204 N 0.79 0.00 0.67 0.00 0.00 -1.14 -3.00 103.07 100.40 2x2g h GLY 204 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2x2g h GLY 204 CO -0.22 0.00 -1.06 1.18 0.00 0.00 0.00 176.54 176.44 2x2g n GLU 205 N -3.80 0.37 -2.17 4.80 -0.58 -0.73 -4.52 120.64 114.02 2x2g n GLU 205 Ca -0.01 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2x2g n GLU 205 Cb 0.41 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 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 -4.23 4.34 -0.16 -4.62 2.96 -0.20 -4.82 118.68 111.95 2x2g s LEU 206 Ca 0.02 2.23 -0.27 0.00 -0.22 0.00 0.00 54.13 55.90 2x2g s LEU 206 Cb 0.13 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 2x2g s LEU 206 CO 0.80 -0.71 0.92 -0.13 -1.32 0.00 0.00 176.35 175.91 2x2g s ARG 207 N 1.95 4.32 -0.26 1.98 3.00 -1.26 -4.92 118.95 123.76 2x2g s ARG 207 Ca 0.65 1.19 -0.03 0.00 0.00 0.00 0.00 55.73 57.54 2x2g s ARG 207 Cb -0.34 -3.58 0.02 0.00 0.00 0.00 0.00 34.95 31.05 2x2g s ARG 207 CO 0.29 -0.39 -0.02 0.42 0.00 0.00 0.00 175.30 175.60 2x2g s ILE 208 N 2.32 3.18 -0.01 1.52 1.01 -1.26 -1.54 121.20 126.43 2x2g s ILE 208 Ca 0.42 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 2x2g s ILE 208 Cb -0.17 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2x2g s ILE 208 CO 0.13 0.16 0.21 -0.76 0.00 0.00 0.00 174.94 174.68 2x2g s LEU 209 N 1.37 4.37 0.00 2.97 1.43 0.20 -0.86 118.68 128.16 2x2g s LEU 209 Ca 0.01 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 2x2g s LEU 209 Cb -0.17 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2x2g s LEU 209 CO -0.02 0.26 0.33 -0.47 0.23 0.00 0.00 176.35 176.68 2x2g s TYR 210 N -1.30 3.63 0.05 0.29 5.04 -0.20 0.04 117.35 124.90 2x2g s TYR 210 Ca 0.27 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.68 2x2g s TYR 210 Cb -0.13 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 40.03 2x2g s TYR 210 CO 0.17 0.62 -0.06 0.20 -1.34 0.00 0.00 175.55 175.14 2x2g s GLY 211 N -1.40 0.48 0.00 8.97 0.00 -0.28 -1.07 107.32 114.02 2x2g s GLY 211 Ca 0.26 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2x2g s GLY 211 CO 0.14 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.89 2x2g n GLY 212 N 1.06 2.27 3.45 0.20 0.00 -1.26 -3.96 105.19 106.97 2x2g n GLY 212 Ca -0.20 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 2x2g n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x2g n SER 213 N 0.00 -5.14 -4.75 1.61 7.64 -0.27 -4.40 113.62 108.32 2x2g n SER 213 Ca 0.00 -0.53 -0.40 0.00 1.01 0.00 0.00 58.87 58.95 2x2g n SER 213 Cb 0.00 -4.84 -0.05 0.00 -1.01 0.00 0.00 64.21 58.30 2x2g n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x2g s VAL 214 N -3.31 4.77 0.39 0.44 1.01 -1.26 -4.56 120.40 117.87 2x2g s VAL 214 Ca 0.42 1.57 0.04 0.00 0.00 0.00 0.00 61.98 64.01 2x2g s VAL 214 Cb -0.18 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2x2g s VAL 214 CO 0.70 0.37 0.10 0.54 0.00 0.00 0.00 175.10 176.81 2x2g s ASN 215 N -0.04 2.70 0.23 3.32 6.03 -1.26 -4.86 114.94 121.06 2x2g s ASN 215 Ca 0.37 -1.59 -0.07 0.00 -1.03 0.00 0.00 52.86 50.55 2x2g s ASN 215 Cb -0.20 0.35 0.35 0.00 -3.03 0.00 0.00 41.25 38.72 2x2g s ASN 215 CO 0.22 -0.84 1.77 1.23 -2.03 0.00 0.00 177.10 177.45 2x2g h GLY 216 N 1.87 1.08 0.30 0.45 0.00 -1.86 -0.04 103.07 104.87 2x2g h GLY 216 Ca -0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2x2g h GLY 216 CO 0.61 0.04 -0.28 1.70 0.00 0.00 0.00 176.54 178.61 2x2g h LYS 217 N 0.59 -0.55 0.00 4.80 3.64 -1.96 -3.22 116.57 119.86 2x2g h LYS 217 Ca 0.36 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2x2g h LYS 217 Cb 0.40 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2x2g h LYS 217 CO -0.28 -0.37 0.00 -2.95 -2.27 0.00 0.00 179.45 173.58 2x2g h ASN 218 N -0.58 0.00 -0.34 4.20 7.08 -1.91 -3.26 115.58 120.78 2x2g h ASN 218 Ca -0.04 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.12 2x2g h ASN 218 Cb 0.49 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.71 2x2g h ASN 218 CO -0.03 0.00 0.02 0.00 -2.08 0.00 0.00 177.43 175.34 2x2g h ALA 219 N 2.33 1.23 -0.20 4.14 0.00 -1.01 -1.85 119.26 123.90 2x2g h ALA 219 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2x2g h ALA 219 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2x2g h ALA 219 CO 0.00 0.51 0.06 -0.09 0.00 0.00 0.00 179.25 179.73 2x2g h ARG 220 N 0.65 0.32 -0.31 0.00 2.43 -1.65 0.28 114.38 116.10 2x2g h ARG 220 Ca 0.13 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 2x2g h ARG 220 Cb 0.38 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2x2g h ARG 220 CO 0.01 0.42 -0.32 1.15 -1.51 0.00 0.00 179.97 179.73 2x2g h THR 221 N 0.15 1.28 -0.40 0.20 2.02 -1.73 -1.79 112.91 112.64 2x2g h THR 221 Ca 0.07 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.78 2x2g h THR 221 Cb 0.24 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2x2g h THR 221 CO -0.00 0.47 0.17 -0.07 0.37 0.00 0.00 175.52 176.46 2x2g h LEU 222 N 0.56 0.54 -1.70 2.58 3.38 -1.08 -2.76 115.31 116.83 2x2g h LEU 222 Ca 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2x2g h LEU 222 Cb 0.82 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2x2g h LEU 222 CO 0.07 0.54 -0.17 0.22 0.09 0.00 0.00 178.44 179.20 2x2g h TYR 223 N 0.50 0.00 0.00 1.13 3.20 -0.10 -1.58 116.97 120.12 2x2g h TYR 223 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2x2g h TYR 223 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2x2g h TYR 223 CO -0.00 0.17 0.00 1.96 -1.64 0.00 0.00 178.16 178.64 2x2g h GLN 224 N 0.00 0.00 -6.94 1.82 1.08 -1.03 -3.44 115.11 106.60 2x2g h GLN 224 Ca -0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 2x2g h GLN 224 Cb 0.31 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.83 2x2g h GLN 224 CO 0.02 0.00 0.66 -0.65 -0.95 0.00 0.00 178.83 177.91 2x2g s GLN 225 N -3.66 4.00 0.26 1.46 -1.52 -0.60 -4.91 119.66 114.70 2x2g s GLN 225 Ca -0.00 2.29 -0.02 0.00 -1.95 0.00 0.00 55.36 55.68 2x2g s GLN 225 Cb 0.09 -2.83 0.57 0.00 -0.22 0.00 0.00 33.01 30.63 2x2g s GLN 225 CO 0.39 -0.51 1.67 -0.09 -0.25 0.00 0.00 175.29 176.49 2x2g h ARG 226 N 2.78 0.25 -0.48 2.91 2.43 -1.89 -2.57 114.38 117.81 2x2g h ARG 226 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2x2g h ARG 226 Cb 1.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2x2g h ARG 226 CO 0.63 0.16 0.00 -0.25 -1.51 0.00 0.00 179.97 179.00 2x2g n ASP 227 N -5.18 4.05 -4.66 -3.80 9.92 -1.26 -4.90 116.55 110.72 2x2g n ASP 227 Ca 0.17 -2.44 -0.37 0.00 -0.53 0.00 0.00 54.79 51.62 2x2g n ASP 227 Cb 0.55 -0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 40.47 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 -1.80 5.28 -0.25 2.53 1.01 -0.97 -4.58 120.40 121.61 2x2g s VAL 228 Ca 0.42 0.43 0.14 0.00 0.00 0.00 0.00 61.98 62.97 2x2g s VAL 228 Cb 0.27 -3.61 0.32 0.00 0.00 0.00 0.00 36.38 33.36 2x2g s VAL 228 CO 0.19 0.29 1.23 0.59 0.00 0.00 0.00 175.10 177.40 2x2g n ASN 229 N 4.45 2.90 0.00 3.32 5.03 -0.04 -4.84 115.26 126.08 2x2g n ASN 229 Ca -0.12 -2.71 0.00 0.00 0.87 0.00 0.00 54.58 52.63 2x2g n ASN 229 Cb 0.52 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 2x2g n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x2g n GLY 230 N -0.65 0.92 3.12 7.41 0.00 -1.26 -1.59 105.19 113.14 2x2g n GLY 230 Ca 0.14 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.04 0.01 -0.32 1.61 0.08 -0.35 -1.03 117.98 114.94 2x2g s PHE 231 Ca 0.00 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 2x2g s PHE 231 Cb 0.00 -0.03 0.06 0.00 -0.57 0.00 0.00 43.02 42.48 2x2g s PHE 231 CO 0.00 -0.30 0.03 -1.17 -0.10 0.00 0.00 175.22 173.68 2x2g s LEU 232 N -1.36 4.10 0.36 -0.37 2.96 -0.24 -0.29 118.68 123.85 2x2g s LEU 232 Ca -0.14 -1.42 0.04 0.00 -0.22 0.00 0.00 54.13 52.39 2x2g s LEU 232 Cb -0.07 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 2x2g s LEU 232 CO 0.02 -0.30 0.08 0.00 -1.32 0.00 0.00 176.35 174.83 2x2g s ALA 233 N 1.22 2.61 0.41 5.97 0.00 0.16 -4.00 121.76 128.14 2x2g s ALA 233 Ca -0.03 -1.71 -0.24 0.00 0.00 0.00 0.00 51.96 49.98 2x2g s ALA 233 Cb -0.20 0.67 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 2x2g s ALA 233 CO -0.02 -0.31 1.13 0.20 0.00 0.00 0.00 175.76 176.77 2x2g s GLY 234 N -3.54 2.81 -0.90 0.00 0.00 -1.26 -0.34 107.32 104.09 2x2g s GLY 234 Ca 0.31 0.88 -0.23 0.00 0.00 0.00 0.00 44.72 45.68 2x2g s GLY 234 CO 0.15 1.36 1.31 -2.27 0.00 0.00 0.00 173.10 173.64 2x2g s LEU 238 N -2.65 3.74 0.21 0.66 2.96 -1.19 -4.58 118.68 117.83 2x2g s LEU 238 Ca 0.59 -1.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.12 2x2g s LEU 238 Cb -0.28 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 43.89 2x2g s LEU 238 CO 0.34 -1.52 0.44 -0.54 -1.32 0.00 0.00 176.35 173.76 2x2g s LYS 239 N 4.73 1.39 0.31 1.98 1.02 -1.26 -4.93 119.74 122.98 2x2g s LYS 239 Ca 0.39 -1.09 0.05 0.00 0.02 0.00 0.00 55.97 55.33 2x2g s LYS 239 Cb -0.04 0.46 0.68 0.00 -0.52 0.00 0.00 37.83 38.41 2x2g s LYS 239 CO -0.02 -0.57 1.84 -1.35 -0.92 0.00 0.00 175.35 174.34 2x2g h PRO 240 N 2.31 0.83 0.00 -1.68 0.11 -1.96 -0.10 132.00 131.51 2x2g h PRO 240 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2x2g h PRO 240 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2x2g h PRO 240 CO 0.39 0.55 0.00 0.93 -0.21 0.00 0.00 178.00 179.66 2x2g h GLU 241 N 0.85 0.00 -0.75 1.05 3.07 -1.97 -1.99 114.58 114.84 2x2g h GLU 241 Ca 0.49 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.54 2x2g h GLU 241 Cb 0.63 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 2x2g h GLU 241 CO -0.26 0.00 0.52 0.35 -1.40 0.00 0.00 179.01 178.22 2x2g h PHE 242 N 0.00 0.24 -0.78 4.33 3.57 -1.25 0.90 116.94 123.95 2x2g h PHE 242 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2x2g h PHE 242 Cb 0.13 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2x2g h PHE 242 CO 0.00 0.08 0.47 0.28 -2.23 0.00 0.00 178.31 176.91 2x2g h VAL 243 N 0.19 1.04 -0.08 1.41 2.07 -1.55 0.11 116.25 119.43 2x2g h VAL 243 Ca 0.37 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 2x2g h VAL 243 Cb 1.17 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2x2g h VAL 243 CO -0.07 0.16 -0.58 0.44 0.02 0.00 0.00 177.57 177.54 2x2g h ASP 244 N 0.88 0.30 -0.52 0.57 3.32 -1.05 -2.24 116.42 117.68 2x2g h ASP 244 Ca 0.34 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2x2g h ASP 244 Cb 0.14 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2x2g h ASP 244 CO -0.16 0.81 0.13 0.40 -1.72 0.00 0.00 179.24 178.69 2x2g h ILE 245 N 0.20 1.24 -0.31 0.35 2.04 -0.46 -1.60 117.51 118.97 2x2g h ILE 245 Ca -0.00 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2x2g h ILE 245 Cb 1.07 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2x2g h ILE 245 CO 0.09 0.31 -0.02 0.40 0.00 0.00 0.00 178.15 178.93 2x2g h ILE 246 N 0.72 0.75 -0.46 -0.67 2.04 -0.65 -1.56 117.51 117.68 2x2g h ILE 246 Ca 0.16 -0.02 0.12 0.00 1.00 0.00 0.00 64.86 66.12 2x2g h ILE 246 Cb 0.34 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2x2g h ILE 246 CO 0.00 0.01 0.33 0.50 0.00 0.00 0.00 178.15 178.99 2x2g h LYS 247 N 0.07 0.08 0.00 2.37 3.64 -1.02 -1.98 116.57 119.73 2x2g h LYS 247 Ca 0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2x2g h LYS 247 Cb 0.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2x2g h LYS 247 CO -0.27 0.06 0.00 0.00 -2.27 0.00 0.00 179.45 176.97 2x2g n ALA 248 N -2.60 1.93 0.08 5.00 0.00 -0.59 -2.92 120.51 121.41 2x2g n ALA 248 Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2x2g n ALA 248 Cb 0.48 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.53 1.37 1.79 0.00 -2.24 -0.74 -4.60 114.28 108.33 2x2g n THR 249 Ca 0.05 -0.73 0.14 0.00 -2.27 0.00 0.00 64.05 61.24 2x2g n THR 249 Cb 0.24 -0.28 0.85 0.00 -2.10 0.00 0.00 70.33 69.04 2x2g n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50