#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1r s LYS 3 N 0.00 3.90 1.25 4.33 1.02 -1.26 -5.04 119.74 123.94 2x1r s LYS 3 Ca 0.00 1.96 -0.19 0.00 0.02 0.00 0.00 55.97 57.76 2x1r s LYS 3 Cb 0.00 -2.62 0.30 0.00 -0.52 0.00 0.00 37.83 34.99 2x1r s LYS 3 CO 0.00 -0.49 1.06 -1.25 -0.92 0.00 0.00 175.35 173.75 2x1r s PRO 4 N -2.40 -1.56 0.06 -1.68 0.04 -1.26 -4.91 135.00 123.28 2x1r s PRO 4 Ca 0.59 0.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.36 2x1r s PRO 4 Cb -0.34 -1.55 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 2x1r s PRO 4 CO 0.42 -3.96 1.77 0.94 0.04 0.00 0.00 177.00 176.21 2x1r n GLN 5 N -4.96 2.37 -1.32 4.56 7.27 -1.26 -4.97 117.38 119.08 2x1r n GLN 5 Ca 0.12 0.86 -0.30 0.00 0.07 0.00 0.00 57.00 57.76 2x1r n GLN 5 Cb 0.59 -2.70 0.12 0.00 2.41 0.00 0.00 30.24 30.66 2x1r n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1r s PRO 6 N 2.67 1.49 -0.02 3.69 0.04 -1.26 -4.85 135.00 136.76 2x1r s PRO 6 Ca 0.85 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.66 2x1r s PRO 6 Cb -0.62 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2x1r s PRO 6 CO 0.43 -2.06 -0.09 0.42 0.04 0.00 0.00 177.00 175.74 2x1r s ILE 7 N -3.01 0.75 -0.22 0.56 1.01 -0.54 -1.68 121.20 118.07 2x1r s ILE 7 Ca 0.63 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.93 2x1r s ILE 7 Cb -0.17 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.67 2x1r s ILE 7 CO 0.56 0.23 -0.14 0.00 0.00 0.00 0.00 174.94 175.59 2x1r s ALA 8 N 0.10 2.49 -0.06 9.38 0.00 -0.55 -1.51 121.76 131.61 2x1r s ALA 8 Ca -0.02 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.54 2x1r s ALA 8 Cb -0.07 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2x1r s ALA 8 CO 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 175.76 174.79 2x1r s ALA 9 N 1.23 2.02 -0.25 0.00 0.00 0.21 -1.49 121.76 123.48 2x1r s ALA 9 Ca -0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 2x1r s ALA 9 Cb -0.16 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2x1r s ALA 9 CO -0.08 0.36 0.01 0.00 0.00 0.00 0.00 175.76 176.05 2x1r s ALA 10 N -0.01 2.94 -0.24 0.00 0.00 0.02 -0.61 121.76 123.86 2x1r s ALA 10 Ca -0.07 -1.31 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 2x1r s ALA 10 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2x1r s ALA 10 CO 0.04 -0.67 0.60 1.21 0.00 0.00 0.00 175.76 176.94 2x1r s ASN 11 N 1.48 6.57 0.66 0.00 2.47 0.20 -0.55 114.94 125.78 2x1r s ASN 11 Ca 0.04 0.70 -0.11 0.00 0.42 0.00 0.00 52.86 53.91 2x1r s ASN 11 Cb -0.16 -2.32 -0.01 0.00 -1.45 0.00 0.00 41.25 37.30 2x1r s ASN 11 CO -0.00 -0.32 1.05 0.86 -3.72 0.00 0.00 177.10 174.97 2x1r s TRP 12 N 2.26 3.44 -0.41 0.43 -0.11 0.08 -2.80 118.94 121.83 2x1r s TRP 12 Ca 0.26 1.25 -0.43 0.00 1.22 0.00 0.00 56.10 58.39 2x1r s TRP 12 Cb -0.16 -2.84 -0.18 0.00 -1.50 0.00 0.00 33.47 28.80 2x1r s TRP 12 CO 0.09 -0.94 1.76 0.45 -4.62 0.00 0.00 176.95 173.69 2x1r n SER 20 N -2.90 1.67 0.22 5.86 2.88 -1.26 -4.69 113.62 115.39 2x1r n SER 20 Ca 0.06 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.76 2x1r n SER 20 Cb 0.55 -1.01 0.37 0.00 -0.75 0.00 0.00 64.21 63.37 2x1r n SER 20 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2x1r h LEU 21 N 6.78 0.00 0.08 2.46 7.12 -2.00 -3.03 115.31 126.73 2x1r h LEU 21 Ca -0.40 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.33 2x1r h LEU 21 Cb 1.35 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 41.50 2x1r h LEU 21 CO 0.99 0.14 -1.22 -1.28 -0.13 0.00 0.00 178.44 176.94 2x1r h SER 22 N 0.00 0.61 0.67 1.25 0.87 -2.01 -2.66 113.55 112.27 2x1r h SER 22 Ca -0.00 -0.60 -0.15 0.00 -1.23 0.00 0.00 61.79 59.81 2x1r h SER 22 Cb 0.86 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2x1r h SER 22 CO 0.02 1.44 -0.69 -0.33 -0.53 0.00 0.00 176.83 176.74 2x1r h GLU 23 N 0.16 0.02 -0.10 2.24 5.08 -1.99 -1.61 114.58 118.38 2x1r h GLU 23 Ca -0.15 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2x1r h GLU 23 Cb 1.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 2x1r h GLU 23 CO 0.21 0.70 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.79 2x1r h LEU 24 N 0.01 0.23 -0.73 1.33 3.38 -1.59 -1.86 115.31 116.09 2x1r h LEU 24 Ca -0.01 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.57 2x1r h LEU 24 Cb 1.22 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 2x1r h LEU 24 CO 0.09 0.62 0.44 0.40 0.09 0.00 0.00 178.44 180.08 2x1r h ILE 25 N -0.16 1.05 -0.64 1.22 2.04 -1.42 -0.71 117.51 118.90 2x1r h ILE 25 Ca 0.02 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.69 2x1r h ILE 25 Cb 0.54 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 2x1r h ILE 25 CO 0.02 0.15 0.25 0.44 0.00 0.00 0.00 178.15 179.01 2x1r h ASP 26 N 0.84 0.27 -0.40 1.72 5.19 -1.23 -0.55 116.42 122.26 2x1r h ASP 26 Ca 0.30 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.72 2x1r h ASP 26 Cb 0.09 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2x1r h ASP 26 CO -0.14 0.15 -0.02 0.25 -3.12 0.00 0.00 179.24 176.37 2x1r h LEU 27 N 0.44 0.71 -0.15 1.55 5.85 -0.43 -2.65 115.31 120.63 2x1r h LEU 27 Ca 0.32 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2x1r h LEU 27 Cb 0.39 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2x1r h LEU 27 CO -0.31 0.86 0.07 -0.26 -0.34 0.00 0.00 178.44 178.46 2x1r h PHE 28 N 0.55 0.22 -0.86 1.25 0.04 -0.85 -2.83 116.94 114.45 2x1r h PHE 28 Ca 0.11 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 61.07 2x1r h PHE 28 Cb 0.50 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.53 2x1r h PHE 28 CO 0.04 0.27 0.58 -0.91 -0.60 0.00 0.00 178.31 177.68 2x1r h ASN 29 N 0.10 0.35 -0.10 2.17 2.35 -1.02 -0.72 115.58 118.71 2x1r h ASN 29 Ca 0.05 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2x1r h ASN 29 Cb 0.13 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2x1r h ASN 29 CO -0.01 0.15 0.00 -1.54 -1.65 0.00 0.00 177.43 174.38 2x1r n SER 30 N -4.48 1.82 -4.63 5.81 3.41 -1.01 -4.84 113.62 109.70 2x1r n SER 30 Ca 0.18 -1.65 -0.40 0.00 -0.26 0.00 0.00 58.87 56.74 2x1r n SER 30 Cb 0.69 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 2x1r n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1r s THR 31 N -1.89 5.10 -0.06 6.66 2.01 -0.28 -5.05 115.64 122.13 2x1r s THR 31 Ca 0.35 0.87 -0.25 0.00 0.31 0.00 0.00 61.69 62.97 2x1r s THR 31 Cb 0.20 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2x1r s THR 31 CO 0.30 0.13 0.78 -0.44 -0.69 0.00 0.00 174.62 174.70 2x1r s SER 32 N 1.40 7.07 -0.28 3.53 0.01 -1.26 -5.02 113.70 119.15 2x1r s SER 32 Ca 0.21 1.29 0.03 0.00 1.31 0.00 0.00 55.95 58.79 2x1r s SER 32 Cb -0.15 -2.45 0.07 0.00 0.21 0.00 0.00 66.02 63.69 2x1r s SER 32 CO 0.09 -0.18 -0.06 -0.63 0.41 0.00 0.00 173.24 172.88 2x1r s ILE 33 N 0.99 2.04 -0.00 1.44 1.01 -1.26 -5.01 121.20 120.41 2x1r s ILE 33 Ca 0.41 -1.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.13 2x1r s ILE 33 Cb -0.18 -2.27 -0.25 0.00 0.01 0.00 0.00 42.46 39.76 2x1r s ILE 33 CO 0.20 -0.20 1.07 0.78 0.00 0.00 0.00 174.94 176.78 2x1r h ASN 34 N 7.77 0.54 -4.19 3.58 2.35 -2.01 -3.46 115.58 120.17 2x1r h ASN 34 Ca -0.15 -0.80 -0.46 0.00 -0.55 0.00 0.00 56.30 54.34 2x1r h ASN 34 Cb 1.04 -0.17 0.10 0.00 0.05 0.00 0.00 38.32 39.34 2x1r h ASN 34 CO 0.47 1.27 0.34 -1.38 -1.65 0.00 0.00 177.43 176.47 2x1r s HIS 35 N -3.07 2.77 -0.25 1.19 -3.43 -1.26 -5.01 115.29 106.23 2x1r s HIS 35 Ca -0.13 0.57 -0.26 0.00 -0.80 0.00 0.00 55.06 54.43 2x1r s HIS 35 Cb 0.03 -3.44 0.00 0.00 -1.43 0.00 0.00 32.58 27.75 2x1r s HIS 35 CO 0.83 -1.73 0.92 0.34 -2.00 0.00 0.00 174.74 173.10 2x1r s ASP 36 N -4.59 6.92 -0.28 7.38 2.15 -1.26 -5.00 116.67 121.99 2x1r s ASP 36 Ca 0.63 1.13 -0.18 0.00 0.43 0.00 0.00 52.55 54.55 2x1r s ASP 36 Cb -0.10 -2.48 0.09 0.00 -0.30 0.00 0.00 42.92 40.13 2x1r s ASP 36 CO 0.48 -0.61 0.76 0.54 -0.17 0.00 0.00 175.17 176.17 2x1r s VAL 37 N 3.04 0.00 -0.19 1.11 0.11 -1.26 -4.36 120.40 118.85 2x1r s VAL 37 Ca 0.39 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.17 2x1r s VAL 37 Cb -0.15 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2x1r s VAL 37 CO 0.08 0.00 0.92 -1.58 -3.33 0.00 0.00 175.10 171.19 2x1r s GLN 38 N 1.34 4.29 -0.05 1.54 2.00 -0.67 -4.94 119.66 123.17 2x1r s GLN 38 Ca -0.08 1.17 -0.03 0.00 -2.00 0.00 0.00 55.36 54.42 2x1r s GLN 38 Cb -0.05 -3.60 -0.04 0.00 0.80 0.00 0.00 33.01 30.13 2x1r s GLN 38 CO -0.15 -0.44 0.12 0.00 -0.50 0.00 0.00 175.29 174.32 2x1r s VAL 40 N -1.15 0.52 -0.29 0.00 1.01 -0.55 -0.38 120.40 119.56 2x1r s VAL 40 Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2x1r s VAL 40 Cb -0.12 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.77 2x1r s VAL 40 CO 0.11 0.21 0.00 -0.69 0.00 0.00 0.00 175.10 174.73 2x1r s VAL 41 N 0.69 3.09 -0.22 2.92 1.01 -0.23 -0.80 120.40 126.86 2x1r s VAL 41 Ca -0.09 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 2x1r s VAL 41 Cb -0.12 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2x1r s VAL 41 CO 0.00 -0.05 0.35 0.00 0.00 0.00 0.00 175.10 175.41 2x1r s ALA 42 N 1.29 3.57 0.12 5.51 0.00 0.29 -0.84 121.76 131.71 2x1r s ALA 42 Ca -0.04 -0.64 0.10 0.00 0.00 0.00 0.00 51.96 51.38 2x1r s ALA 42 Cb -0.19 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2x1r s ALA 42 CO -0.01 -0.35 -0.24 0.45 0.00 0.00 0.00 175.76 175.61 2x1r s SER 43 N 1.16 2.97 0.67 0.00 0.15 -0.52 -0.74 113.70 117.38 2x1r s SER 43 Ca 0.16 -0.73 -0.14 0.00 0.70 0.00 0.00 55.95 55.94 2x1r s SER 43 Cb -0.15 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2x1r s SER 43 CO 0.08 0.12 1.08 0.28 1.20 0.00 0.00 173.24 176.00 2x1r s THR 44 N -1.18 3.55 0.27 6.45 -1.32 -1.26 -3.86 115.64 118.30 2x1r s THR 44 Ca 0.11 0.65 -0.02 0.00 -1.21 0.00 0.00 61.69 61.22 2x1r s THR 44 Cb -0.10 -3.20 0.29 0.00 -1.51 0.00 0.00 72.50 67.98 2x1r s THR 44 CO 0.05 -0.52 1.65 0.15 -2.21 0.00 0.00 174.62 173.75 2x1r h PHE 45 N -0.19 0.24 0.00 9.09 3.57 -1.96 -1.25 116.94 126.44 2x1r h PHE 45 Ca -0.46 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2x1r h PHE 45 Cb 1.23 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2x1r h PHE 45 CO 0.58 -0.18 0.00 -0.24 -2.23 0.00 0.00 178.31 176.23 2x1r h VAL 46 N 0.20 0.00 -0.07 1.41 3.04 -2.03 -2.57 116.25 116.24 2x1r h VAL 46 Ca 0.49 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 2x1r h VAL 46 Cb 0.92 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2x1r h VAL 46 CO -0.62 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.35 2x1r n HIS 47 N -2.81 0.09 0.42 3.17 8.25 -0.50 -4.77 115.22 119.07 2x1r n HIS 47 Ca -0.01 -0.29 -0.19 0.00 -0.26 0.00 0.00 57.72 56.97 2x1r n HIS 47 Cb 0.14 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.14 2x1r n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x1r h LEU 48 N 0.73 -0.97 -0.68 2.41 3.38 -1.14 -2.44 115.31 116.60 2x1r h LEU 48 Ca 0.00 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2x1r h LEU 48 Cb 0.41 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2x1r h LEU 48 CO 0.00 -0.66 0.37 0.00 0.09 0.00 0.00 178.44 178.24 2x1r h ALA 49 N -0.87 0.91 -0.62 1.53 0.00 -1.86 -1.55 119.26 116.80 2x1r h ALA 49 Ca -0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2x1r h ALA 49 Cb 0.84 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2x1r h ALA 49 CO 0.15 0.04 0.21 0.00 0.00 0.00 0.00 179.25 179.65 2x1r h MET 50 N 0.68 0.96 -0.37 0.00 -0.00 -1.89 -1.56 114.93 112.75 2x1r h MET 50 Ca 0.31 -0.20 -0.00 0.00 -0.00 0.00 0.00 59.70 59.81 2x1r h MET 50 Cb 0.21 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.65 2x1r h MET 50 CO -0.19 0.84 0.22 1.15 -0.00 0.00 0.00 176.91 178.92 2x1r h THR 51 N 0.89 1.13 -0.25 -0.10 2.02 -0.82 -1.06 112.91 114.72 2x1r h THR 51 Ca 0.20 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2x1r h THR 51 Cb 0.27 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2x1r h THR 51 CO -0.01 0.13 -0.14 0.50 0.37 0.00 0.00 175.52 176.37 2x1r h LYS 52 N 0.48 0.42 -0.31 6.66 3.64 -1.20 0.17 116.57 126.42 2x1r h LYS 52 Ca 0.13 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2x1r h LYS 52 Cb 0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2x1r h LYS 52 CO -0.02 0.56 -0.27 1.49 -2.27 0.00 0.00 179.45 178.93 2x1r h GLU 53 N 0.39 0.63 0.01 1.90 4.57 -0.85 -3.36 114.58 117.87 2x1r h GLU 53 Ca 0.07 -0.26 -0.37 0.00 -1.18 0.00 0.00 59.36 57.63 2x1r h GLU 53 Cb 0.48 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 2x1r h GLU 53 CO 0.03 0.83 -2.30 0.54 -1.18 0.00 0.00 179.01 176.93 2x1r n ARG 54 N -4.10 0.68 -2.93 1.92 5.12 -0.44 -4.86 116.66 112.05 2x1r n ARG 54 Ca -0.00 0.10 -0.43 0.00 -1.93 0.00 0.00 57.85 55.58 2x1r n ARG 54 Cb 0.44 -1.57 -0.05 0.00 -1.16 0.00 0.00 32.46 30.12 2x1r n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2x1r s LEU 55 N -6.00 4.35 0.00 0.55 2.96 0.56 -4.87 118.68 116.23 2x1r s LEU 55 Ca -0.18 -0.50 0.11 0.00 -0.22 0.00 0.00 54.13 53.35 2x1r s LEU 55 Cb 0.07 -2.73 0.07 0.00 0.50 0.00 0.00 46.19 44.11 2x1r s LEU 55 CO 0.76 -1.12 0.82 -1.54 -1.32 0.00 0.00 176.35 173.94 2x1r n SER 56 N 7.07 1.81 -4.67 3.68 3.41 -1.26 -4.84 113.62 118.82 2x1r n SER 56 Ca -0.01 -1.41 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 2x1r n SER 56 Cb 0.47 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 2x1r n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2x1r s HIS 57 N -1.07 1.86 -0.73 7.33 5.04 -1.26 -4.87 115.29 121.58 2x1r s HIS 57 Ca 0.13 -0.00 0.22 0.00 -1.54 0.00 0.00 55.06 53.86 2x1r s HIS 57 Cb 0.09 -4.04 0.88 0.00 0.04 0.00 0.00 32.58 29.55 2x1r s HIS 57 CO 0.17 -4.45 1.67 -0.35 -2.34 0.00 0.00 174.74 169.44 2x1r n PRO 58 N 6.87 0.12 0.00 2.88 -0.04 -1.26 -1.36 135.00 142.21 2x1r n PRO 58 Ca 0.18 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 2x1r n PRO 58 Cb 0.42 -1.71 0.50 0.00 -0.04 0.00 0.00 33.50 32.67 2x1r n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2x1r n LYS 59 N -1.94 0.55 -3.78 0.54 5.02 -1.26 -4.83 118.16 112.45 2x1r n LYS 59 Ca 0.04 -0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 55.72 2x1r n LYS 59 Cb 0.26 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2x1r n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1r s PHE 60 N -2.62 3.63 0.19 2.13 0.40 -0.46 -0.91 117.98 120.33 2x1r s PHE 60 Ca 0.23 0.64 0.10 0.00 -0.60 0.00 0.00 56.93 57.30 2x1r s PHE 60 Cb 0.19 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 2x1r s PHE 60 CO 0.53 0.70 -0.21 0.14 0.70 0.00 0.00 175.22 177.08 2x1r s VAL 61 N -1.00 2.09 -0.06 -0.44 -7.23 0.49 -4.87 120.40 109.39 2x1r s VAL 61 Ca 0.17 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 2x1r s VAL 61 Cb -0.13 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 2x1r s VAL 61 CO 0.06 -0.24 0.29 -0.63 -0.31 0.00 0.00 175.10 174.28 2x1r s ILE 62 N -1.93 5.24 -0.03 -0.62 1.01 -1.26 -1.07 121.20 122.55 2x1r s ILE 62 Ca 0.19 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.48 2x1r s ILE 62 Cb -0.07 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2x1r s ILE 62 CO 0.09 0.58 -0.24 0.00 0.00 0.00 0.00 174.94 175.37 2x1r s ALA 63 N -0.96 2.02 0.85 9.38 0.00 -0.02 -3.90 121.76 129.12 2x1r s ALA 63 Ca 0.20 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2x1r s ALA 63 Cb -0.15 -0.54 0.16 0.00 0.00 0.00 0.00 23.12 22.59 2x1r s ALA 63 CO 0.09 0.47 1.17 0.00 0.00 0.00 0.00 175.76 177.50 2x1r s ALA 64 N -0.48 2.86 -0.03 0.00 0.00 -0.43 -1.44 121.76 122.23 2x1r s ALA 64 Ca 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2x1r s ALA 64 Cb -0.10 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2x1r s ALA 64 CO -0.00 -1.96 0.00 -0.65 0.00 0.00 0.00 175.76 173.15 2x1r s GLN 65 N -5.56 0.24 0.00 0.00 -0.21 -1.25 -0.99 119.66 111.90 2x1r s GLN 65 Ca 0.70 0.07 0.00 0.00 0.02 0.00 0.00 55.36 56.15 2x1r s GLN 65 Cb -0.05 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.54 2x1r s GLN 65 CO 0.49 -0.12 0.00 0.09 -2.12 0.00 0.00 175.29 173.63 2x1r n ASN 66 N 4.03 0.00 -4.68 5.90 5.03 -0.57 -4.85 115.26 120.11 2x1r n ASN 66 Ca -0.26 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 54.74 2x1r n ASN 66 Cb 0.51 -0.61 -0.04 0.00 -1.02 0.00 0.00 39.78 38.62 2x1r n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x1r n ALA 67 N 0.74 1.65 -0.69 5.41 0.00 -1.26 -4.87 120.51 121.50 2x1r n ALA 67 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2x1r n ALA 67 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2x1r n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x1r n GLY 68 N 3.19 0.17 3.81 0.00 0.00 -1.26 -4.95 105.19 106.15 2x1r n GLY 68 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2x1r n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1r s ASN 69 N -0.01 6.61 0.21 1.61 3.84 -1.26 -5.00 114.94 120.94 2x1r s ASN 69 Ca 0.00 0.73 -0.10 0.00 0.21 0.00 0.00 52.86 53.70 2x1r s ASN 69 Cb 0.00 -2.20 0.23 0.00 -0.55 0.00 0.00 41.25 38.73 2x1r s ASN 69 CO 0.00 0.26 1.81 0.00 -2.79 0.00 0.00 177.10 176.37 2x1r h ALA 70 N 5.44 0.87 0.00 1.71 0.00 -2.00 -1.23 119.26 124.06 2x1r h ALA 70 Ca -0.49 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2x1r h ALA 70 Cb 1.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2x1r h ALA 70 CO 0.66 0.04 -0.48 -0.44 0.00 0.00 0.00 179.25 179.03 2x1r h ASP 71 N 0.67 0.00 -0.12 0.00 3.32 -1.99 -2.15 116.42 116.15 2x1r h ASP 71 Ca 0.29 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 2x1r h ASP 71 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2x1r h ASP 71 CO -0.18 0.48 -0.08 0.00 -1.72 0.00 0.00 179.24 177.73 2x1r h ALA 72 N 1.52 0.18 -0.05 3.45 0.00 -1.78 -0.95 119.26 121.63 2x1r h ALA 72 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2x1r h ALA 72 Cb 0.88 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2x1r h ALA 72 CO 0.06 -0.01 -0.07 -0.07 0.00 0.00 0.00 179.25 179.16 2x1r h LEU 80 N -0.09 -0.21 -0.53 0.00 3.38 -1.21 -1.12 115.31 115.53 2x1r h LEU 80 Ca 0.02 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2x1r h LEU 80 Cb 0.57 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 2x1r h LEU 80 CO 0.02 -0.10 0.02 0.00 0.09 0.00 0.00 178.44 178.47 2x1r h ALA 81 N 0.94 0.53 -0.62 1.53 0.00 -1.33 -0.91 119.26 119.40 2x1r h ALA 81 Ca 0.05 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2x1r h ALA 81 Cb 0.16 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2x1r h ALA 81 CO -0.11 -0.38 0.12 1.03 0.00 0.00 0.00 179.25 179.92 2x1r h SER 82 N 0.14 0.94 -0.45 0.00 0.87 -0.88 -1.58 113.55 112.59 2x1r h SER 82 Ca 0.27 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2x1r h SER 82 Cb 0.41 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2x1r h SER 82 CO -0.43 0.93 0.25 -0.07 -0.53 0.00 0.00 176.83 176.97 2x1r h LEU 83 N 0.94 0.56 0.15 2.23 3.38 -0.47 -1.39 115.31 120.71 2x1r h LEU 83 Ca 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2x1r h LEU 83 Cb 0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2x1r h LEU 83 CO 0.01 0.49 -0.09 0.11 0.09 0.00 0.00 178.44 179.05 2x1r h LYS 84 N 0.59 -0.22 -0.91 1.13 1.79 -0.98 0.00 116.57 117.98 2x1r h LYS 84 Ca 0.16 0.02 0.25 0.00 -2.18 0.00 0.00 60.65 58.90 2x1r h LYS 84 Cb 0.05 0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 30.61 2x1r h LYS 84 CO -0.03 -0.15 0.30 -0.44 -1.08 0.00 0.00 179.45 178.06 2x1r h ASP 85 N -0.23 0.10 0.29 0.86 3.32 -1.16 0.13 116.42 119.73 2x1r h ASP 85 Ca -0.01 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2x1r h ASP 85 Cb 0.19 0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2x1r h ASP 85 CO 0.02 -0.16 0.00 0.33 -1.72 0.00 0.00 179.24 177.71 2x1r n PHE 86 N -5.20 0.00 -0.21 4.55 7.35 -0.54 -4.88 117.46 118.53 2x1r n PHE 86 Ca 0.24 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 2x1r n PHE 86 Cb 0.75 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.43 2x1r n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1r n GLY 87 N 1.05 0.88 3.57 7.13 0.00 0.46 -5.07 105.19 113.21 2x1r n GLY 87 Ca 0.18 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2x1r n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1r s VAL 88 N -2.00 5.19 -0.67 1.61 1.01 -0.06 -4.94 120.40 120.53 2x1r s VAL 88 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.25 2x1r s VAL 88 Cb 0.00 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2x1r s VAL 88 CO 0.00 0.03 0.66 0.59 0.00 0.00 0.00 175.10 176.38 2x1r n ASN 89 N 5.32 1.41 -4.36 3.32 4.13 -1.26 -3.66 115.26 120.16 2x1r n ASN 89 Ca -0.10 -1.21 -0.24 0.00 1.68 0.00 0.00 54.58 54.72 2x1r n ASN 89 Cb 0.50 0.04 -0.11 0.00 -1.54 0.00 0.00 39.78 38.67 2x1r n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2x1r s TRP 90 N -0.50 1.99 -0.15 3.10 0.52 -1.25 -0.70 118.94 121.95 2x1r s TRP 90 Ca 0.06 -0.42 -0.22 0.00 0.02 0.00 0.00 56.10 55.54 2x1r s TRP 90 Cb 0.05 -1.00 0.05 0.00 -1.15 0.00 0.00 33.47 31.42 2x1r s TRP 90 CO 0.07 0.38 0.56 -1.50 0.02 0.00 0.00 176.95 176.49 2x1r s ILE 91 N -1.84 0.01 -0.16 2.03 2.07 -0.71 -1.32 121.20 121.28 2x1r s ILE 91 Ca 0.17 -0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.28 2x1r s ILE 91 Cb -0.07 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 2x1r s ILE 91 CO 0.08 -0.04 0.07 -0.69 -1.91 0.00 0.00 174.94 172.45 2x1r s VAL 92 N -0.23 4.87 0.02 4.00 1.01 -0.16 -1.34 120.40 128.56 2x1r s VAL 92 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2x1r s VAL 92 Cb -0.03 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2x1r s VAL 92 CO 0.03 0.50 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 2x1r s LEU 93 N -0.00 2.15 0.00 3.92 1.43 -0.53 -1.51 118.68 124.13 2x1r s LEU 93 Ca 0.06 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2x1r s LEU 93 Cb -0.12 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.90 2x1r s LEU 93 CO 0.01 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.11 2x1r n GLY 94 N 2.13 0.49 3.66 -3.19 0.00 -1.26 -1.23 105.19 105.79 2x1r n GLY 94 Ca -0.18 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 2x1r n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1r n HIS 95 N -2.94 1.22 -0.34 1.61 -0.00 -1.26 -4.50 115.22 109.01 2x1r n HIS 95 Ca 0.00 0.42 -0.09 0.00 0.46 0.00 0.00 57.72 58.51 2x1r n HIS 95 Cb 0.00 -2.17 -0.08 0.00 -0.12 0.00 0.00 29.99 27.62 2x1r n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2x1r n SER 96 N -1.54 -0.86 0.26 0.26 3.41 -1.26 -0.83 113.62 113.07 2x1r n SER 96 Ca 0.15 1.46 0.10 0.00 -0.26 0.00 0.00 58.87 60.32 2x1r n SER 96 Cb 0.48 -0.19 0.70 0.00 -0.26 0.00 0.00 64.21 64.94 2x1r n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2x1r h GLU 97 N 0.00 0.00 -0.98 4.33 9.09 -1.97 -0.27 114.58 124.77 2x1r h GLU 97 Ca 0.14 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.68 2x1r h GLU 97 Cb 0.34 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.36 2x1r h GLU 97 CO -0.77 0.09 0.62 0.00 0.05 0.00 0.00 179.01 178.99 2x1r h ARG 98 N 0.00 0.88 0.02 1.06 2.47 -1.30 0.40 114.38 117.90 2x1r h ARG 98 Ca -0.00 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.53 2x1r h ARG 98 Cb 0.18 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2x1r h ARG 98 CO 0.01 0.58 -0.72 0.00 0.56 0.00 0.00 179.97 180.41 2x1r h ARG 99 N 0.91 0.03 0.00 0.04 3.08 -1.12 0.24 114.38 117.57 2x1r h ARG 99 Ca 0.50 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.47 2x1r h ARG 99 Cb 0.59 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2x1r h ARG 99 CO -0.27 1.03 -0.41 0.11 -1.07 0.00 0.00 179.97 179.36 2x1r h TRP 100 N -0.91 0.00 0.00 3.04 5.08 -1.29 -3.24 115.95 118.63 2x1r h TRP 100 Ca -0.19 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.75 2x1r h TRP 100 Cb 1.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 2x1r h TRP 100 CO 0.18 0.10 -0.65 0.98 -1.28 0.00 0.00 178.44 177.78 2x1r n TYR 101 N -3.00 0.00 0.26 0.12 9.36 0.06 -4.78 117.16 119.18 2x1r n TYR 101 Ca 0.02 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.39 2x1r n TYR 101 Cb 0.58 -0.26 0.59 0.00 -0.63 0.00 0.00 39.34 39.63 2x1r n TYR 101 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2x1r h TYR 102 N -0.44 0.00 0.00 2.98 0.05 -1.37 -3.47 116.97 114.72 2x1r h TYR 102 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2x1r h TYR 102 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2x1r h TYR 102 CO -0.16 0.06 0.00 0.41 -1.05 0.00 0.00 178.16 177.42 2x1r n GLY 103 N 0.12 0.79 3.65 3.88 0.00 -0.66 -4.99 105.19 107.98 2x1r n GLY 103 Ca 0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2x1r n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1r s GLU 104 N -0.69 4.09 0.91 1.61 2.02 -0.02 -4.98 118.70 121.65 2x1r s GLU 104 Ca 0.00 1.95 -0.14 0.00 0.02 0.00 0.00 54.97 56.80 2x1r s GLU 104 Cb 0.00 -3.95 0.15 0.00 0.10 0.00 0.00 34.13 30.42 2x1r s GLU 104 CO 0.00 -0.93 1.20 0.95 0.02 0.00 0.00 175.26 176.50 2x1r s THR 105 N 4.23 1.97 0.28 3.63 -4.23 -1.26 -4.26 115.64 116.00 2x1r s THR 105 Ca 0.69 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 2x1r s THR 105 Cb -0.29 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 70.94 2x1r s THR 105 CO 0.26 0.00 1.82 0.78 -0.54 0.00 0.00 174.62 176.94 2x1r h ASN 106 N -1.47 0.86 -0.09 3.99 2.35 -1.95 -0.96 115.58 118.30 2x1r h ASN 106 Ca -0.47 0.06 -0.23 0.00 -0.55 0.00 0.00 56.30 55.12 2x1r h ASN 106 Cb 1.30 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.57 2x1r h ASN 106 CO 0.54 0.43 -0.82 -0.33 -1.65 0.00 0.00 177.43 175.60 2x1r h GLU 107 N 0.91 0.75 -0.45 0.81 3.07 -1.92 -1.07 114.58 116.68 2x1r h GLU 107 Ca 0.51 -0.64 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2x1r h GLU 107 Cb 0.57 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 2x1r h GLU 107 CO -0.29 1.24 0.26 0.82 -1.40 0.00 0.00 179.01 179.64 2x1r h ILE 108 N 0.50 1.15 -0.51 3.13 2.04 -1.82 0.91 117.51 122.91 2x1r h ILE 108 Ca -0.06 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2x1r h ILE 108 Cb 1.44 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2x1r h ILE 108 CO 0.16 0.16 0.27 0.58 0.00 0.00 0.00 178.15 179.33 2x1r h VAL 109 N 0.59 1.18 -0.84 1.67 2.07 -1.16 -1.18 116.25 118.58 2x1r h VAL 109 Ca 0.16 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2x1r h VAL 109 Cb 0.03 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2x1r h VAL 109 CO -0.03 0.19 0.42 0.00 0.02 0.00 0.00 177.57 178.18 2x1r h ALA 110 N 1.11 1.17 -0.57 1.67 0.00 -0.86 -0.48 119.26 121.31 2x1r h ALA 110 Ca 0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2x1r h ALA 110 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2x1r h ALA 110 CO -0.03 0.64 -0.04 -0.44 0.00 0.00 0.00 179.25 179.38 2x1r h ASP 111 N 1.18 1.00 -0.79 0.00 3.32 -0.64 -1.59 116.42 118.91 2x1r h ASP 111 Ca 0.29 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2x1r h ASP 111 Cb 0.08 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2x1r h ASP 111 CO -0.04 1.08 0.30 0.11 -1.72 0.00 0.00 179.24 178.97 2x1r h LYS 112 N 0.92 1.19 -0.40 3.56 1.57 -0.66 -1.92 116.57 120.83 2x1r h LYS 112 Ca 0.16 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2x1r h LYS 112 Cb 0.59 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2x1r h LYS 112 CO 0.04 0.97 0.01 0.28 -0.57 0.00 0.00 179.45 180.18 2x1r h VAL 113 N 1.15 1.26 -0.46 0.50 2.07 -0.91 -1.73 116.25 118.13 2x1r h VAL 113 Ca 0.26 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2x1r h VAL 113 Cb 0.24 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2x1r h VAL 113 CO -0.02 0.33 0.09 0.00 0.02 0.00 0.00 177.57 178.00 2x1r h ALA 114 N 0.89 0.61 -0.14 1.67 0.00 -1.17 -1.73 119.26 119.39 2x1r h ALA 114 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2x1r h ALA 114 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2x1r h ALA 114 CO 0.02 0.32 -0.00 0.00 0.00 0.00 0.00 179.25 179.59 2x1r h ALA 115 N 0.96 0.12 -0.45 0.00 0.00 -1.34 -0.69 119.26 117.86 2x1r h ALA 115 Ca 0.14 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2x1r h ALA 115 Cb 0.36 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2x1r h ALA 115 CO 0.01 -0.45 0.20 0.00 0.00 0.00 0.00 179.25 179.00 2x1r h ALA 116 N 1.12 0.56 -0.80 0.00 0.00 -1.21 -1.68 119.26 117.25 2x1r h ALA 116 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2x1r h ALA 116 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2x1r h ALA 116 CO -0.12 -0.17 0.37 0.28 0.00 0.00 0.00 179.25 179.61 2x1r h VAL 117 N 0.40 1.25 -0.11 0.00 2.07 -1.09 -1.20 116.25 117.57 2x1r h VAL 117 Ca 0.20 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2x1r h VAL 117 Cb 0.15 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2x1r h VAL 117 CO -0.17 0.30 -0.11 0.00 0.02 0.00 0.00 177.57 177.61 2x1r h ALA 118 N 1.19 1.62 -0.23 1.67 0.00 -0.78 -1.61 119.26 121.13 2x1r h ALA 118 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x1r h ALA 118 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2x1r h ALA 118 CO -0.03 0.28 0.00 0.43 0.00 0.00 0.00 179.25 179.93 2x1r n SER 119 N -4.32 1.91 -0.37 0.00 7.64 -0.66 -4.90 113.62 112.91 2x1r n SER 119 Ca -0.01 -2.14 -0.02 0.00 1.01 0.00 0.00 58.87 57.70 2x1r n SER 119 Cb 0.23 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2x1r n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1r n GLY 120 N 0.60 0.37 3.88 0.23 0.00 -0.60 -4.97 105.19 104.71 2x1r n GLY 120 Ca 0.09 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2x1r n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1r s PHE 121 N -2.29 3.57 0.12 1.61 0.40 -0.52 -4.93 117.98 115.95 2x1r s PHE 121 Ca 0.01 0.60 -0.30 0.00 -0.60 0.00 0.00 56.93 56.64 2x1r s PHE 121 Cb -0.01 -2.01 -0.06 0.00 0.51 0.00 0.00 43.02 41.45 2x1r s PHE 121 CO 0.02 0.58 0.96 -1.64 0.70 0.00 0.00 175.22 175.84 2x1r s MET 122 N -1.87 4.71 -0.12 0.44 -1.94 0.13 -4.36 119.30 116.28 2x1r s MET 122 Ca 0.30 1.46 0.02 0.00 -1.71 0.00 0.00 55.69 55.76 2x1r s MET 122 Cb -0.13 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 33.35 2x1r s MET 122 CO 0.17 0.24 -0.18 0.08 -0.01 0.00 0.00 175.02 175.32 2x1r s VAL 123 N -0.12 1.75 -0.50 -6.03 1.01 0.11 -1.74 120.40 114.88 2x1r s VAL 123 Ca 0.46 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 2x1r s VAL 123 Cb -0.24 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.63 2x1r s VAL 123 CO 0.30 0.49 0.57 -0.63 0.00 0.00 0.00 175.10 175.83 2x1r s ILE 124 N 0.95 4.96 -0.24 2.22 1.01 -0.45 0.17 121.20 129.82 2x1r s ILE 124 Ca -0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 2x1r s ILE 124 Cb -0.15 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 2x1r s ILE 124 CO -0.02 -0.76 0.23 0.00 0.00 0.00 0.00 174.94 174.39 2x1r s ALA 125 N 2.39 3.59 -0.10 9.38 0.00 0.44 -1.45 121.76 136.01 2x1r s ALA 125 Ca 0.12 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 2x1r s ALA 125 Cb -0.21 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2x1r s ALA 125 CO 0.10 -0.28 0.25 0.00 0.00 0.00 0.00 175.76 175.84 2x1r s ILE 127 N -0.54 0.62 0.00 0.00 -4.36 -0.36 -4.59 121.20 111.97 2x1r s ILE 127 Ca 0.17 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 2x1r s ILE 127 Cb -0.13 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.23 2x1r s ILE 127 CO 0.06 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.58 2x1r n GLY 128 N -0.34 3.51 3.95 6.27 0.00 -1.26 -1.15 105.19 116.17 2x1r n GLY 128 Ca -0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 2x1r n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1r s GLU 129 N -2.08 3.47 0.82 1.61 1.03 -1.26 -4.71 118.70 117.58 2x1r s GLU 129 Ca 0.00 -0.52 -0.12 0.00 0.03 0.00 0.00 54.97 54.37 2x1r s GLU 129 Cb 0.00 -2.82 0.10 0.00 -0.80 0.00 0.00 34.13 30.60 2x1r s GLU 129 CO 0.00 0.36 1.17 0.95 -1.33 0.00 0.00 175.26 176.41 2x1r s THR 130 N -2.01 2.05 0.17 1.83 -4.23 -1.26 -0.56 115.64 111.63 2x1r s THR 130 Ca 0.37 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.68 2x1r s THR 130 Cb -0.10 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.82 2x1r s THR 130 CO 0.31 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.39 2x1r h LEU 131 N -1.07 0.20 -0.60 4.79 5.85 -1.97 -1.38 115.31 121.13 2x1r h LEU 131 Ca -0.45 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.19 2x1r h LEU 131 Cb 1.31 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2x1r h LEU 131 CO 0.59 0.15 -0.19 1.56 -0.34 0.00 0.00 178.44 180.21 2x1r h GLN 132 N 0.36 0.91 -0.65 1.25 7.50 -1.99 -0.62 115.11 121.87 2x1r h GLN 132 Ca 0.21 -0.36 -0.01 0.00 0.50 0.00 0.00 58.65 58.99 2x1r h GLN 132 Cb 0.19 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 2x1r h GLN 132 CO -0.20 1.02 0.38 0.93 -1.50 0.00 0.00 178.83 179.46 2x1r h GLU 133 N 0.79 0.88 0.11 1.46 5.08 -1.90 -1.36 114.58 119.66 2x1r h GLU 133 Ca 0.11 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2x1r h GLU 133 Cb 0.74 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2x1r h GLU 133 CO 0.06 0.64 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.57 2x1r h ARG 134 N 0.88 -0.14 -0.84 2.33 9.65 -0.99 0.33 114.38 125.60 2x1r h ARG 134 Ca 0.23 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2x1r h ARG 134 Cb -0.01 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 2x1r h ARG 134 CO -0.04 0.03 0.53 0.93 2.80 0.00 0.00 179.97 184.22 2x1r h GLU 135 N -0.29 1.11 -0.11 0.20 5.08 -0.99 -1.29 114.58 118.30 2x1r h GLU 135 Ca -0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2x1r h GLU 135 Cb 0.24 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2x1r h GLU 135 CO 0.03 0.76 0.00 -1.13 -1.00 0.00 0.00 179.01 177.66 2x1r n SER 136 N -4.39 0.73 -0.80 1.42 3.41 -0.52 -4.90 113.62 108.57 2x1r n SER 136 Ca 0.09 -1.79 -0.09 0.00 -0.26 0.00 0.00 58.87 56.82 2x1r n SER 136 Cb 0.04 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2x1r n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1r n GLY 137 N 0.82 0.77 1.73 5.00 0.00 -0.48 -4.92 105.19 108.10 2x1r n GLY 137 Ca 0.09 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2x1r n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1r n ARG 138 N -2.49 4.51 -0.25 1.61 1.74 0.11 -4.61 116.66 117.29 2x1r n ARG 138 Ca -0.10 -3.09 -0.01 0.00 -0.77 0.00 0.00 57.85 53.89 2x1r n ARG 138 Cb 0.38 -2.16 0.11 0.00 -1.02 0.00 0.00 32.46 29.77 2x1r n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1r h THR 139 N 3.74 0.97 0.46 0.55 2.02 -1.83 -2.32 112.91 116.50 2x1r h THR 139 Ca 0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2x1r h THR 139 Cb 1.84 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2x1r h THR 139 CO 0.42 0.14 -0.22 0.00 0.37 0.00 0.00 175.52 176.23 2x1r h ALA 140 N 1.37 -0.62 -0.73 6.16 0.00 -1.93 -1.54 119.26 121.97 2x1r h ALA 140 Ca 0.32 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2x1r h ALA 140 Cb 0.20 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2x1r h ALA 140 CO -0.19 -0.74 0.40 0.28 0.00 0.00 0.00 179.25 179.00 2x1r h VAL 141 N -0.83 0.92 0.58 0.00 2.07 -1.89 -1.21 116.25 115.89 2x1r h VAL 141 Ca -0.06 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2x1r h VAL 141 Cb 0.56 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2x1r h VAL 141 CO 0.10 0.13 -0.28 0.58 0.02 0.00 0.00 177.57 178.13 2x1r h VAL 142 N 0.71 0.34 -0.50 2.57 2.07 -1.34 -1.30 116.25 118.80 2x1r h VAL 142 Ca 0.34 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2x1r h VAL 142 Cb 0.28 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2x1r h VAL 142 CO -0.22 0.04 0.16 -0.37 0.02 0.00 0.00 177.57 177.19 2x1r h VAL 143 N -0.97 1.20 -0.05 2.57 -1.51 -1.16 -1.56 116.25 114.77 2x1r h VAL 143 Ca -0.08 -0.68 -0.16 0.00 -1.23 0.00 0.00 66.70 64.55 2x1r h VAL 143 Cb 0.65 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2x1r h VAL 143 CO 0.13 0.26 -0.67 -0.07 -1.23 0.00 0.00 177.57 175.98 2x1r h LEU 144 N 0.72 0.27 -0.71 4.19 3.38 -1.23 -1.46 115.31 120.46 2x1r h LEU 144 Ca 0.17 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2x1r h LEU 144 Cb 0.21 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2x1r h LEU 144 CO -0.01 0.86 0.21 0.74 0.09 0.00 0.00 178.44 180.33 2x1r h THR 145 N 0.16 1.26 -0.35 0.22 2.02 -0.80 0.31 112.91 115.73 2x1r h THR 145 Ca -0.02 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 2x1r h THR 145 Cb 1.21 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2x1r h THR 145 CO 0.10 0.35 0.12 1.56 0.37 0.00 0.00 175.52 178.03 2x1r h GLN 146 N 1.05 0.53 -0.07 6.66 4.20 -1.02 -2.47 115.11 123.99 2x1r h GLN 146 Ca 0.23 -0.11 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 2x1r h GLN 146 Cb 0.32 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2x1r h GLN 146 CO -0.01 0.55 -0.71 0.97 -0.67 0.00 0.00 178.83 178.96 2x1r h ILE 147 N 0.41 1.39 -0.49 2.54 2.10 -1.14 -2.93 117.51 119.40 2x1r h ILE 147 Ca 0.11 -2.15 -0.01 0.00 1.08 0.00 0.00 64.86 63.89 2x1r h ILE 147 Cb 0.22 2.12 -0.02 0.00 -1.09 0.00 0.00 36.82 38.05 2x1r h ILE 147 CO -0.01 0.64 0.27 0.00 -1.08 0.00 0.00 178.15 177.97 2x1r h ALA 148 N 1.01 1.55 -0.40 0.18 0.00 -0.89 0.16 119.26 120.86 2x1r h ALA 148 Ca -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2x1r h ALA 148 Cb 1.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2x1r h ALA 148 CO 0.12 0.38 0.11 0.00 0.00 0.00 0.00 179.25 179.85 2x1r h ALA 149 N 1.62 0.52 -0.19 0.00 0.00 -1.32 -1.77 119.26 118.12 2x1r h ALA 149 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x1r h ALA 149 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2x1r h ALA 149 CO -0.03 0.18 0.12 0.82 0.00 0.00 0.00 179.25 180.34 2x1r h ILE 150 N 0.50 1.07 0.00 0.00 2.04 -1.16 -2.98 117.51 116.97 2x1r h ILE 150 Ca 0.13 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2x1r h ILE 150 Cb 0.29 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2x1r h ILE 150 CO -0.00 0.07 -0.17 0.00 0.00 0.00 0.00 178.15 178.05 2x1r h ALA 151 N 1.04 1.32 0.00 1.87 0.00 -0.58 -2.60 119.26 120.32 2x1r h ALA 151 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2x1r h ALA 151 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x1r h ALA 151 CO -0.01 0.21 -0.11 -0.22 0.00 0.00 0.00 179.25 179.12 2x1r h LYS 152 N 0.00 0.00 -0.44 0.00 3.64 -1.16 -2.46 116.57 116.15 2x1r h LYS 152 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x1r h LYS 152 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2x1r h LYS 152 CO 0.02 0.11 0.00 1.63 -2.27 0.00 0.00 179.45 178.94 2x1r n LYS 153 N -3.57 2.50 -4.42 1.90 4.76 -0.98 -4.96 118.16 113.39 2x1r n LYS 153 Ca -0.02 -2.31 -0.27 0.00 -2.87 0.00 0.00 58.31 52.84 2x1r n LYS 153 Cb 0.24 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.82 2x1r n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1r s LEU 154 N -1.32 2.44 0.32 -0.35 1.43 -0.93 -4.79 118.68 115.48 2x1r s LEU 154 Ca 0.39 -0.86 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2x1r s LEU 154 Cb 0.22 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 2x1r s LEU 154 CO 0.30 0.12 0.45 -1.59 0.23 0.00 0.00 176.35 175.86 2x1r s LYS 155 N -2.66 3.14 0.21 1.70 -2.85 -1.26 -4.98 119.74 113.04 2x1r s LYS 155 Ca 0.21 -0.99 -0.15 0.00 -1.00 0.00 0.00 55.97 54.04 2x1r s LYS 155 Cb -0.08 -2.82 0.22 0.00 -2.06 0.00 0.00 37.83 33.09 2x1r s LYS 155 CO 0.10 0.11 1.62 -0.22 0.10 0.00 0.00 175.35 177.05 2x1r h LYS 156 N 0.94 -0.04 0.00 1.78 3.64 -1.95 -0.67 116.57 120.26 2x1r h LYS 156 Ca -0.46 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2x1r h LYS 156 Cb 1.25 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2x1r h LYS 156 CO 0.54 -0.03 -0.01 0.00 -2.27 0.00 0.00 179.45 177.68 2x1r h ALA 157 N 1.49 1.11 0.00 5.00 0.00 -2.00 -2.25 119.26 122.62 2x1r h ALA 157 Ca 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2x1r h ALA 157 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2x1r h ALA 157 CO -0.66 0.01 -0.17 -0.44 0.00 0.00 0.00 179.25 177.99 2x1r h ASP 158 N 0.00 0.00 0.33 0.00 3.32 -1.51 -3.10 116.42 115.46 2x1r h ASP 158 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2x1r h ASP 158 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2x1r h ASP 158 CO 0.00 0.17 -0.06 -0.50 -1.72 0.00 0.00 179.24 177.13 2x1r h TRP 159 N 0.00 0.00 -0.23 4.55 4.06 -1.54 0.56 115.95 123.35 2x1r h TRP 159 Ca -0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.01 2x1r h TRP 159 Cb 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2x1r h TRP 159 CO 0.00 0.06 0.23 0.00 -3.56 0.00 0.00 178.44 175.17 2x1r h ALA 160 N 1.94 1.91 -0.02 1.49 0.00 -1.77 -1.55 119.26 121.26 2x1r h ALA 160 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x1r h ALA 160 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2x1r h ALA 160 CO 0.01 -0.35 -0.16 1.63 0.00 0.00 0.00 179.25 180.38 2x1r n LYS 161 N -3.88 1.76 -4.40 0.00 4.76 0.19 -4.96 118.16 111.63 2x1r n LYS 161 Ca 0.03 -1.37 -0.32 0.00 -2.87 0.00 0.00 58.31 53.77 2x1r n LYS 161 Cb 0.37 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 2x1r n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1r s VAL 162 N -2.19 3.87 -0.02 -0.18 1.01 -0.59 0.04 120.40 122.35 2x1r s VAL 162 Ca 0.26 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2x1r s VAL 162 Cb 0.20 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2x1r s VAL 162 CO 0.40 0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 175.13 2x1r s VAL 163 N -1.02 0.79 -0.18 2.92 1.01 0.13 -4.63 120.40 119.42 2x1r s VAL 163 Ca 0.18 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2x1r s VAL 163 Cb -0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2x1r s VAL 163 CO 0.08 0.24 0.07 -0.63 0.00 0.00 0.00 175.10 174.86 2x1r s ILE 164 N 0.12 4.88 -0.32 2.22 -1.09 -0.28 -0.42 121.20 126.31 2x1r s ILE 164 Ca -0.02 -0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.34 2x1r s ILE 164 Cb -0.08 -3.20 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2x1r s ILE 164 CO 0.00 0.46 0.09 0.00 -1.23 0.00 0.00 174.94 174.26 2x1r s ALA 165 N 0.31 3.02 -0.26 9.38 0.00 0.41 -0.11 121.76 134.51 2x1r s ALA 165 Ca 0.04 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.15 2x1r s ALA 165 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 2x1r s ALA 165 CO -0.00 -1.20 0.58 -0.47 0.00 0.00 0.00 175.76 174.66 2x1r s TYR 166 N 1.42 3.27 -0.23 0.00 5.04 0.54 -1.22 117.35 126.17 2x1r s TYR 166 Ca -0.01 0.72 -0.03 0.00 -2.44 0.00 0.00 57.07 55.32 2x1r s TYR 166 Cb -0.19 -2.79 0.07 0.00 0.35 0.00 0.00 41.96 39.40 2x1r s TYR 166 CO 0.02 -0.31 0.06 -1.21 -1.34 0.00 0.00 175.55 172.77 2x1r s GLU 167 N 2.42 0.59 0.16 4.97 2.02 -0.30 -1.79 118.70 126.76 2x1r s GLU 167 Ca 0.24 -0.56 -0.31 0.00 0.02 0.00 0.00 54.97 54.35 2x1r s GLU 167 Cb -0.16 -1.97 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 2x1r s GLU 167 CO 0.09 -0.76 1.69 -2.14 0.02 0.00 0.00 175.26 174.16 2x1r s PRO 168 N 1.84 4.17 0.35 0.39 0.02 -1.26 -4.24 135.00 136.28 2x1r s PRO 168 Ca 0.03 2.49 0.04 0.00 0.02 0.00 0.00 61.00 63.57 2x1r s PRO 168 Cb -0.17 -3.29 0.67 0.00 0.02 0.00 0.00 34.50 31.73 2x1r s PRO 168 CO -0.15 -0.73 1.96 0.28 -0.33 0.00 0.00 177.00 178.04 2x1r h VAL 169 N 4.21 1.07 0.00 3.83 2.07 -1.11 0.64 116.25 126.95 2x1r h VAL 169 Ca -0.43 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2x1r h VAL 169 Cb 1.21 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2x1r h VAL 169 CO 0.94 0.15 0.00 -2.67 0.02 0.00 0.00 177.57 176.01 2x1r n TRP 170 N -4.47 0.00 0.83 1.57 4.27 -1.26 -2.44 117.44 115.94 2x1r n TRP 170 Ca 0.10 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.80 2x1r n TRP 170 Cb 0.18 -0.43 -0.04 0.00 -1.36 0.00 0.00 31.31 29.65 2x1r n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x1r n ALA 171 N -1.43 3.74 -2.60 -1.67 0.00 0.21 -4.64 120.51 114.12 2x1r n ALA 171 Ca 0.04 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 2x1r n ALA 171 Cb 0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 2x1r n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1r s ILE 172 N -2.36 4.40 -0.09 0.00 1.01 -1.02 -1.63 121.20 121.50 2x1r s ILE 172 Ca 0.12 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.94 2x1r s ILE 172 Cb 0.14 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2x1r s ILE 172 CO 0.58 -0.79 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2x1r n GLY 173 N 4.63 0.29 0.03 6.18 0.00 -1.26 -4.83 105.19 110.22 2x1r n GLY 173 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2x1r n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1r n THR 174 N -2.43 0.22 -0.53 2.61 -2.24 -1.26 -4.97 114.28 105.68 2x1r n THR 174 Ca -0.01 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2x1r n THR 174 Cb 0.30 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2x1r n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1r n GLY 175 N 1.33 0.75 3.24 3.38 0.00 -1.26 -5.01 105.19 107.61 2x1r n GLY 175 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2x1r n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x1r s LYS 176 N -0.47 2.99 0.53 1.61 2.20 -1.26 -5.02 119.74 120.31 2x1r s LYS 176 Ca 0.00 -2.24 -0.19 0.00 -0.36 0.00 0.00 55.97 53.19 2x1r s LYS 176 Cb 0.00 -4.11 -0.07 0.00 -1.51 0.00 0.00 37.83 32.15 2x1r s LYS 176 CO 0.00 -1.24 1.05 0.54 -0.36 0.00 0.00 175.35 175.34 2x1r s VAL 177 N 0.54 3.73 0.43 4.02 0.11 -1.26 -4.18 120.40 123.78 2x1r s VAL 177 Ca 0.13 0.99 -0.24 0.00 -2.93 0.00 0.00 61.98 59.93 2x1r s VAL 177 Cb -0.19 -3.41 -0.08 0.00 -1.53 0.00 0.00 36.38 31.17 2x1r s VAL 177 CO -0.04 -0.32 1.13 0.00 -3.33 0.00 0.00 175.10 172.54 2x1r s ALA 178 N -2.11 3.03 0.75 1.54 0.00 -1.26 -5.03 121.76 118.68 2x1r s ALA 178 Ca 0.67 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 2x1r s ALA 178 Cb -0.17 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2x1r s ALA 178 CO 0.26 -0.51 1.08 0.95 0.00 0.00 0.00 175.76 177.54 2x1r s THR 179 N -1.56 3.53 0.31 0.00 -4.23 -1.26 -4.79 115.64 107.65 2x1r s THR 179 Ca 0.61 0.50 0.06 0.00 -1.18 0.00 0.00 61.69 61.67 2x1r s THR 179 Cb -0.27 -3.06 0.30 0.00 1.34 0.00 0.00 72.50 70.81 2x1r s THR 179 CO 0.33 -0.65 1.83 -0.65 -0.54 0.00 0.00 174.62 174.94 2x1r h PRO 180 N -1.01 0.79 -0.59 3.99 0.11 -1.96 -1.13 132.00 132.20 2x1r h PRO 180 Ca -0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2x1r h PRO 180 Cb 1.23 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2x1r h PRO 180 CO 0.53 0.53 0.30 -0.56 -0.21 0.00 0.00 178.00 178.58 2x1r h GLN 181 N 0.82 0.85 -0.17 1.05 3.07 -1.99 -0.98 115.11 117.76 2x1r h GLN 181 Ca 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 58.65 59.11 2x1r h GLN 181 Cb 0.72 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 2x1r h GLN 181 CO -0.28 0.68 0.03 1.96 0.09 0.00 0.00 178.83 181.31 2x1r h GLN 182 N 0.81 0.27 -0.27 0.06 4.20 -1.69 -1.27 115.11 117.22 2x1r h GLN 182 Ca 0.21 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2x1r h GLN 182 Cb 0.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2x1r h GLN 182 CO -0.03 0.43 0.15 0.00 -0.67 0.00 0.00 178.83 178.71 2x1r h ALA 183 N 0.83 0.35 -0.67 3.87 0.00 -1.18 -2.14 119.26 120.33 2x1r h ALA 183 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2x1r h ALA 183 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2x1r h ALA 183 CO 0.00 -0.11 0.38 0.37 0.00 0.00 0.00 179.25 179.89 2x1r h GLN 184 N 0.32 0.92 -0.71 0.00 5.75 -1.12 -0.01 115.11 120.26 2x1r h GLN 184 Ca 0.10 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2x1r h GLN 184 Cb 0.07 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 2x1r h GLN 184 CO -0.01 0.68 0.31 1.49 -2.65 0.00 0.00 178.83 178.64 2x1r h GLU 185 N 0.91 1.05 -0.17 1.69 4.81 -1.09 -0.43 114.58 121.35 2x1r h GLU 185 Ca 0.24 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2x1r h GLU 185 Cb 0.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2x1r h GLU 185 CO -0.04 0.85 -0.01 0.00 -0.73 0.00 0.00 179.01 179.08 2x1r h ALA 186 N 1.15 0.24 -0.81 2.92 0.00 -1.00 -2.28 119.26 119.47 2x1r h ALA 186 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2x1r h ALA 186 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2x1r h ALA 186 CO -0.02 -0.04 0.45 0.45 0.00 0.00 0.00 179.25 180.09 2x1r h HIS 187 N 0.05 1.12 -0.28 0.00 3.86 -0.85 -1.78 115.15 117.27 2x1r h HIS 187 Ca 0.05 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 2x1r h HIS 187 Cb 0.41 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2x1r h HIS 187 CO 0.04 0.78 -0.38 0.00 0.86 0.00 0.00 177.93 179.22 2x1r h ALA 188 N 1.24 0.80 0.00 2.45 0.00 -1.01 0.09 119.26 122.83 2x1r h ALA 188 Ca 0.29 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2x1r h ALA 188 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2x1r h ALA 188 CO -0.05 0.65 -0.58 1.37 0.00 0.00 0.00 179.25 180.64 2x1r h LEU 189 N 0.54 0.00 -0.00 0.00 8.10 -1.14 0.30 115.31 123.11 2x1r h LEU 189 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.04 2x1r h LEU 189 Cb 0.90 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.12 2x1r h LEU 189 CO 0.08 0.58 -0.00 0.40 -4.11 0.00 0.00 178.44 175.39 2x1r h ILE 190 N 0.00 1.31 -0.69 0.15 2.04 -0.89 -2.37 117.51 117.06 2x1r h ILE 190 Ca -0.01 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 2x1r h ILE 190 Cb 1.03 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 2x1r h ILE 190 CO 0.08 0.24 0.33 -0.09 0.00 0.00 0.00 178.15 178.70 2x1r h ARG 191 N -0.39 0.97 -0.34 2.37 2.43 -0.85 -1.21 114.38 117.37 2x1r h ARG 191 Ca 0.00 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 2x1r h ARG 191 Cb 0.39 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2x1r h ARG 191 CO 0.00 0.75 -0.11 1.03 -1.51 0.00 0.00 179.97 180.13 2x1r h SER 192 N 0.97 0.57 -0.33 -3.80 0.87 -0.93 0.98 113.55 111.87 2x1r h SER 192 Ca 0.24 -0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 2x1r h SER 192 Cb 0.10 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2x1r h SER 192 CO -0.03 0.71 -0.30 -0.25 -0.53 0.00 0.00 176.83 176.43 2x1r h TRP 193 N 0.54 0.93 -0.74 2.24 7.01 -0.89 -1.84 115.95 123.20 2x1r h TRP 193 Ca 0.10 -0.27 -0.03 0.00 2.11 0.00 0.00 58.89 60.80 2x1r h TRP 193 Cb 0.51 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 2x1r h TRP 193 CO 0.02 1.04 0.35 0.28 -2.79 0.00 0.00 178.44 177.35 2x1r h VAL 194 N 0.56 1.24 0.20 2.65 2.07 -0.90 0.47 116.25 122.54 2x1r h VAL 194 Ca 0.06 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2x1r h VAL 194 Cb 0.87 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2x1r h VAL 194 CO 0.08 0.28 -0.19 -1.28 0.02 0.00 0.00 177.57 176.48 2x1r h SER 195 N 1.04 -0.50 0.31 0.57 0.87 -0.71 0.52 113.55 115.64 2x1r h SER 195 Ca 0.25 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2x1r h SER 195 Cb 0.12 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2x1r h SER 195 CO -0.03 -0.29 -0.17 0.28 -0.53 0.00 0.00 176.83 176.10 2x1r h SER 196 N -0.42 -0.41 1.16 6.23 0.02 -1.14 -2.20 113.55 116.80 2x1r h SER 196 Ca -0.00 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 2x1r h SER 196 Cb 0.39 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2x1r h SER 196 CO -0.04 -0.28 -0.88 0.11 -1.14 0.00 0.00 176.83 174.60 2x1r h LYS 197 N -0.44 0.00 0.00 3.45 1.79 -0.89 -3.40 116.57 117.07 2x1r h LYS 197 Ca -0.04 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 2x1r h LYS 197 Cb 0.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2x1r h LYS 197 CO 0.05 0.22 -1.39 -0.89 -1.08 0.00 0.00 179.45 176.36 2x1r n ILE 198 N -2.94 0.39 0.00 1.86 2.08 0.13 -5.07 119.36 115.81 2x1r n ILE 198 Ca -0.02 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.14 2x1r n ILE 198 Cb 0.69 -0.83 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 2x1r n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1r n GLY 199 N 3.11 4.66 0.26 7.39 0.00 -0.83 -4.87 105.19 114.90 2x1r n GLY 199 Ca -0.12 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.13 2x1r n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1r h ALA 200 N 0.00 1.01 -0.07 4.61 0.00 -1.82 -1.65 119.26 121.34 2x1r h ALA 200 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2x1r h ALA 200 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2x1r h ALA 200 CO 0.00 0.10 -0.03 0.38 0.00 0.00 0.00 179.25 179.70 2x1r h ASP 201 N 0.00 0.14 -0.44 0.00 2.03 -1.92 -2.05 116.42 114.17 2x1r h ASP 201 Ca -0.00 -0.40 -0.02 0.00 -0.73 0.00 0.00 57.03 55.88 2x1r h ASP 201 Cb 0.62 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 2x1r h ASP 201 CO 0.01 0.51 0.20 0.58 -1.03 0.00 0.00 179.24 179.51 2x1r h VAL 202 N -0.23 1.19 -0.70 4.15 2.07 -1.86 -2.99 116.25 117.89 2x1r h VAL 202 Ca 0.02 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 67.09 2x1r h VAL 202 Cb 0.45 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 2x1r h VAL 202 CO 0.01 0.21 0.32 0.00 0.02 0.00 0.00 177.57 178.12 2x1r h ALA 203 N 1.05 0.96 0.00 1.67 0.00 -1.28 -1.96 119.26 119.69 2x1r h ALA 203 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2x1r h ALA 203 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2x1r h ALA 203 CO -0.02 -0.11 -0.09 0.78 0.00 0.00 0.00 179.25 179.81 2x1r h GLY 204 N 0.53 0.00 0.12 0.00 0.00 -1.22 -2.96 103.07 99.53 2x1r h GLY 204 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2x1r h GLY 204 CO -0.31 0.00 -1.21 1.18 0.00 0.00 0.00 176.54 176.21 2x1r n GLU 205 N -3.22 0.18 -2.26 4.80 -0.58 -0.94 -4.53 120.64 114.09 2x1r n GLU 205 Ca 0.01 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.28 2x1r n GLU 205 Cb 0.37 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 2x1r n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2x1r s LEU 206 N -3.46 4.33 -0.27 -4.62 2.96 -0.78 -4.83 118.68 112.02 2x1r s LEU 206 Ca 0.04 2.12 -0.27 0.00 -0.22 0.00 0.00 54.13 55.80 2x1r s LEU 206 Cb 0.15 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.28 2x1r s LEU 206 CO 0.86 -0.66 0.96 -0.13 -1.32 0.00 0.00 176.35 176.07 2x1r s ARG 207 N 1.89 4.15 -0.27 1.98 3.00 -1.26 -4.93 118.95 123.50 2x1r s ARG 207 Ca 0.63 1.07 -0.04 0.00 0.00 0.00 0.00 55.73 57.39 2x1r s ARG 207 Cb -0.32 -3.68 0.02 0.00 0.00 0.00 0.00 34.95 30.97 2x1r s ARG 207 CO 0.27 -0.68 0.01 0.42 0.00 0.00 0.00 175.30 175.32 2x1r s ILE 208 N 3.20 3.36 0.01 1.52 1.01 -1.26 -1.13 121.20 127.92 2x1r s ILE 208 Ca 0.41 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 2x1r s ILE 208 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2x1r s ILE 208 CO 0.10 0.11 0.20 -0.76 0.00 0.00 0.00 174.94 174.59 2x1r s LEU 209 N 1.39 4.37 -0.10 2.97 1.43 0.84 -1.33 118.68 128.25 2x1r s LEU 209 Ca 0.01 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2x1r s LEU 209 Cb -0.17 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2x1r s LEU 209 CO -0.01 0.23 0.13 -0.47 0.23 0.00 0.00 176.35 176.46 2x1r s TYR 210 N -1.38 3.53 0.02 0.29 5.04 0.02 -0.33 117.35 124.53 2x1r s TYR 210 Ca 0.30 0.46 -0.02 0.00 -2.44 0.00 0.00 57.07 55.37 2x1r s TYR 210 Cb -0.13 -1.90 -0.02 0.00 0.35 0.00 0.00 41.96 40.26 2x1r s TYR 210 CO 0.21 0.69 0.01 0.20 -1.34 0.00 0.00 175.55 175.32 2x1r s GLY 211 N -1.13 0.21 0.00 8.97 0.00 -0.74 -1.27 107.32 113.36 2x1r s GLY 211 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.34 2x1r s GLY 211 CO 0.06 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.14 2x1r n GLY 212 N 1.45 2.14 2.35 0.20 0.00 -1.25 -3.98 105.19 106.11 2x1r n GLY 212 Ca -0.23 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 2x1r n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x1r n SER 213 N 0.00 -5.16 -4.75 1.61 7.64 -0.65 -4.34 113.62 107.98 2x1r n SER 213 Ca 0.00 0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.50 2x1r n SER 213 Cb 0.00 -4.24 -0.03 0.00 -1.01 0.00 0.00 64.21 58.93 2x1r n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1r s VAL 214 N -2.86 3.23 0.21 0.44 1.01 -1.26 -4.60 120.40 116.57 2x1r s VAL 214 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.10 2x1r s VAL 214 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2x1r s VAL 214 CO 0.00 0.20 0.20 -0.46 0.00 0.00 0.00 175.10 175.04 2x1r n ASN 215 N 2.06 -0.53 -0.25 3.32 0.23 -1.26 -4.90 115.26 113.94 2x1r n ASN 215 Ca 0.04 -2.32 -0.00 0.00 -0.53 0.00 0.00 54.58 51.76 2x1r n ASN 215 Cb 0.43 1.15 0.12 0.00 -2.08 0.00 0.00 39.78 39.40 2x1r n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2x1r h GLY 216 N 1.26 1.07 1.09 4.83 0.00 -1.92 -2.12 103.07 107.27 2x1r h GLY 216 Ca -0.15 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 2x1r h GLY 216 CO 0.21 0.14 -0.40 0.07 0.00 0.00 0.00 176.54 176.57 2x1r h LYS 217 N 0.71 0.87 0.00 4.80 2.10 -1.97 -3.36 116.57 119.72 2x1r h LYS 217 Ca 0.33 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2x1r h LYS 217 Cb 0.24 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2x1r h LYS 217 CO -0.21 1.12 -1.20 0.27 -2.00 0.00 0.00 179.45 177.44 2x1r n ASN 218 N -4.10 0.69 -0.11 7.07 0.23 -1.15 -4.53 115.26 113.36 2x1r n ASN 218 Ca -0.03 -0.61 -0.09 0.00 -0.53 0.00 0.00 54.58 53.32 2x1r n ASN 218 Cb 0.55 1.15 -0.02 0.00 -2.08 0.00 0.00 39.78 39.38 2x1r n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x1r h ALA 219 N 2.70 0.44 -0.44 -2.53 0.00 -1.54 -2.87 119.26 115.04 2x1r h ALA 219 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2x1r h ALA 219 Cb 0.65 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2x1r h ALA 219 CO 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.26 2x1r h ARG 220 N 0.41 0.09 -0.57 0.00 2.47 -1.79 -1.50 114.38 113.50 2x1r h ARG 220 Ca 0.12 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 2x1r h ARG 220 Cb 0.15 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 2x1r h ARG 220 CO -0.01 0.06 0.25 1.15 0.56 0.00 0.00 179.97 181.98 2x1r h THR 221 N 0.10 1.21 -0.89 2.04 2.02 -1.83 -2.69 112.91 112.88 2x1r h THR 221 Ca 0.22 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.80 2x1r h THR 221 Cb 0.32 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 2x1r h THR 221 CO -0.37 0.25 0.57 -0.07 0.37 0.00 0.00 175.52 176.27 2x1r h LEU 222 N 0.77 0.96 -1.52 2.58 3.38 -1.18 -2.58 115.31 117.72 2x1r h LEU 222 Ca 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2x1r h LEU 222 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2x1r h LEU 222 CO -0.02 0.66 -0.23 0.22 0.09 0.00 0.00 178.44 179.15 2x1r h TYR 223 N 1.12 0.00 0.00 1.13 3.20 -0.96 -2.09 116.97 119.36 2x1r h TYR 223 Ca 0.35 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 2x1r h TYR 223 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2x1r h TYR 223 CO -0.02 0.23 -0.00 1.96 -1.64 0.00 0.00 178.16 178.70 2x1r h GLN 224 N 0.00 0.00 -6.98 1.82 1.08 -1.27 -3.44 115.11 106.31 2x1r h GLN 224 Ca -0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 2x1r h GLN 224 Cb 0.53 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.07 2x1r h GLN 224 CO 0.03 0.00 0.64 -0.65 -0.95 0.00 0.00 178.83 177.91 2x1r s GLN 225 N -4.57 3.70 0.30 1.46 -1.52 -0.79 -4.89 119.66 113.35 2x1r s GLN 225 Ca -0.05 2.26 0.04 0.00 -1.95 0.00 0.00 55.36 55.66 2x1r s GLN 225 Cb 0.15 -2.62 0.65 0.00 -0.22 0.00 0.00 33.01 30.97 2x1r s GLN 225 CO 0.53 -0.75 1.82 -0.09 -0.25 0.00 0.00 175.29 176.55 2x1r h ARG 226 N 2.30 0.86 -0.41 2.91 2.43 -1.89 -2.88 114.38 117.71 2x1r h ARG 226 Ca -0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2x1r h ARG 226 Cb 1.26 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2x1r h ARG 226 CO 0.61 0.57 0.00 -0.25 -1.51 0.00 0.00 179.97 179.39 2x1r n ASP 227 N -4.67 3.68 -4.65 -3.80 9.92 -1.26 -4.92 116.55 110.86 2x1r n ASP 227 Ca 0.21 -2.41 -0.39 0.00 -0.53 0.00 0.00 54.79 51.67 2x1r n ASP 227 Cb 0.45 -0.42 -0.08 0.00 -0.64 0.00 0.00 41.12 40.44 2x1r n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x1r s VAL 228 N -1.74 5.16 -0.28 2.53 1.01 -1.09 -4.66 120.40 121.32 2x1r s VAL 228 Ca 0.36 0.74 0.13 0.00 0.00 0.00 0.00 61.98 63.22 2x1r s VAL 228 Cb 0.24 -3.75 0.33 0.00 0.00 0.00 0.00 36.38 33.19 2x1r s VAL 228 CO 0.16 0.19 1.24 0.59 0.00 0.00 0.00 175.10 177.29 2x1r n ASN 229 N 4.89 2.94 0.00 3.32 5.03 -0.45 -4.88 115.26 126.11 2x1r n ASN 229 Ca -0.07 -2.66 0.00 0.00 0.87 0.00 0.00 54.58 52.72 2x1r n ASN 229 Cb 0.51 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 2x1r n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x1r n GLY 230 N -0.57 0.97 3.06 7.41 0.00 -1.26 -1.47 105.19 113.33 2x1r n GLY 230 Ca 0.14 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 2x1r n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1r s PHE 231 N -2.67 0.29 -0.13 1.61 0.08 -0.57 -0.80 117.98 115.79 2x1r s PHE 231 Ca 0.00 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.44 2x1r s PHE 231 Cb 0.00 -0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.24 2x1r s PHE 231 CO 0.00 -0.30 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.45 2x1r s LEU 232 N -2.05 2.29 0.33 -0.37 2.96 -0.40 -0.62 118.68 120.82 2x1r s LEU 232 Ca -0.06 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.32 2x1r s LEU 232 Cb -0.02 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 2x1r s LEU 232 CO -0.04 0.11 0.42 0.00 -1.32 0.00 0.00 176.35 175.51 2x1r s ALA 233 N 0.65 0.98 0.57 5.97 0.00 0.22 -3.97 121.76 126.18 2x1r s ALA 233 Ca -0.10 -1.62 -0.15 0.00 0.00 0.00 0.00 51.96 50.09 2x1r s ALA 233 Cb -0.16 1.23 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 2x1r s ALA 233 CO 0.02 -0.76 1.02 0.20 0.00 0.00 0.00 175.76 176.25 2x1r s GLY 234 N -3.25 2.01 -0.73 0.00 0.00 -1.26 0.59 107.32 104.67 2x1r s GLY 234 Ca 0.33 0.22 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 2x1r s GLY 234 CO 0.21 0.51 1.61 -2.27 0.00 0.00 0.00 173.10 173.16 2x1r s LEU 238 N -4.45 3.25 0.10 0.66 2.96 -1.12 -4.66 118.68 115.42 2x1r s LEU 238 Ca 0.60 -0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 54.15 2x1r s LEU 238 Cb -0.12 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.02 2x1r s LEU 238 CO 0.37 -2.13 0.24 -0.54 -1.32 0.00 0.00 176.35 172.98 2x1r s LYS 239 N 6.34 0.91 0.49 1.98 1.02 -1.26 -5.03 119.74 124.20 2x1r s LYS 239 Ca 0.53 -0.91 0.21 0.00 0.02 0.00 0.00 55.97 55.82 2x1r s LYS 239 Cb -0.09 0.37 1.26 0.00 -0.52 0.00 0.00 37.83 38.86 2x1r s LYS 239 CO 0.13 -0.31 1.99 -1.35 -0.92 0.00 0.00 175.35 174.89 2x1r h PRO 240 N 2.65 0.14 0.00 -1.68 0.11 -1.98 0.31 132.00 131.54 2x1r h PRO 240 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2x1r h PRO 240 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2x1r h PRO 240 CO 0.54 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 2x1r n GLU 241 N -4.42 0.12 0.06 1.05 0.28 -1.26 -2.96 120.64 113.51 2x1r n GLU 241 Ca 0.10 0.13 0.16 0.00 -0.16 0.00 0.00 57.16 57.39 2x1r n GLU 241 Cb 0.52 -1.50 0.65 0.00 1.43 0.00 0.00 31.44 32.54 2x1r n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2x1r h PHE 242 N 0.00 0.05 -0.71 -1.84 3.57 -1.22 0.92 116.94 117.72 2x1r h PHE 242 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2x1r h PHE 242 Cb 0.28 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 2x1r h PHE 242 CO 0.00 0.03 0.37 0.28 -2.23 0.00 0.00 178.31 176.76 2x1r h VAL 243 N 0.05 0.90 -0.06 1.41 2.07 -1.74 -0.69 116.25 118.19 2x1r h VAL 243 Ca 0.18 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 2x1r h VAL 243 Cb 0.66 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2x1r h VAL 243 CO -0.01 0.12 -0.60 0.44 0.02 0.00 0.00 177.57 177.54 2x1r h ASP 244 N 0.66 0.23 -0.57 0.57 3.32 -1.07 -2.24 116.42 117.33 2x1r h ASP 244 Ca 0.34 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 2x1r h ASP 244 Cb 0.29 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2x1r h ASP 244 CO -0.23 0.78 0.17 0.40 -1.72 0.00 0.00 179.24 178.64 2x1r h ILE 245 N 0.15 1.24 -0.59 0.35 2.04 -1.00 -0.21 117.51 119.49 2x1r h ILE 245 Ca -0.01 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.09 2x1r h ILE 245 Cb 1.10 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 2x1r h ILE 245 CO 0.09 0.31 0.30 0.40 0.00 0.00 0.00 178.15 179.25 2x1r h ILE 246 N 0.80 0.94 0.00 -0.67 2.04 -0.98 -2.41 117.51 117.23 2x1r h ILE 246 Ca 0.18 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2x1r h ILE 246 Cb 0.29 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2x1r h ILE 246 CO -0.01 0.10 -0.23 0.50 0.00 0.00 0.00 178.15 178.52 2x1r h LYS 247 N 0.57 0.00 0.00 2.37 3.64 -1.02 -2.39 116.57 119.74 2x1r h LYS 247 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2x1r h LYS 247 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2x1r h LYS 247 CO -0.18 0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 2x1r n ALA 248 N -2.29 2.25 -0.94 5.00 0.00 -0.13 -4.12 120.51 120.28 2x1r n ALA 248 Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 2x1r n ALA 248 Cb 0.37 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 2x1r n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1r n THR 249 N -1.33 2.85 -1.89 0.00 -2.24 -0.90 -4.50 114.28 106.26 2x1r n THR 249 Ca 0.11 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 2x1r n THR 249 Cb 0.22 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 2x1r n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50