#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g8r s GLU 2 N 0.00 4.37 0.64 -1.58 2.12 -1.26 -5.02 118.70 117.96 2g8r s GLU 2 Ca 0.00 2.01 -0.13 0.00 0.36 0.00 0.00 54.97 57.21 2g8r s GLU 2 Cb 0.00 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 2g8r s GLU 2 CO 0.00 -0.33 1.05 0.95 -0.54 0.00 0.00 175.26 176.39 2g8r s THR 3 N 0.73 4.03 0.21 -1.70 -4.23 -1.26 -4.86 115.64 108.56 2g8r s THR 3 Ca 0.61 0.80 -0.09 0.00 -1.18 0.00 0.00 61.69 61.82 2g8r s THR 3 Cb -0.35 -3.45 0.14 0.00 1.34 0.00 0.00 72.50 70.18 2g8r s THR 3 CO 0.33 -0.73 1.81 0.00 -0.54 0.00 0.00 174.62 175.49 2g8r h ALA 4 N -0.11 0.90 -0.55 3.99 0.00 -1.95 0.91 119.26 122.45 2g8r h ALA 4 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2g8r h ALA 4 Cb 1.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2g8r h ALA 4 CO 0.58 0.07 0.35 0.00 0.00 0.00 0.00 179.25 180.25 2g8r h ALA 5 N 1.34 0.71 -0.58 0.00 0.00 -1.87 -0.80 119.26 118.05 2g8r h ALA 5 Ca 0.30 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2g8r h ALA 5 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2g8r h ALA 5 CO -0.17 0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.21 2g8r h ALA 6 N 1.19 0.84 -0.65 0.00 0.00 -1.77 -1.88 119.26 116.99 2g8r h ALA 6 Ca 0.20 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2g8r h ALA 6 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2g8r h ALA 6 CO -0.04 0.67 0.42 -0.22 0.00 0.00 0.00 179.25 180.08 2g8r h LYS 7 N 0.94 0.83 -0.56 0.00 3.64 -0.52 -0.33 116.57 120.58 2g8r h LYS 7 Ca 0.16 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 2g8r h LYS 7 Cb 0.59 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 2g8r h LYS 7 CO 0.04 0.55 0.25 0.35 -2.27 0.00 0.00 179.45 178.37 2g8r h PHE 8 N 0.86 0.45 -0.50 1.91 3.57 -0.86 0.81 116.94 123.18 2g8r h PHE 8 Ca 0.24 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2g8r h PHE 8 Cb -0.08 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2g8r h PHE 8 CO -0.03 0.18 -0.02 0.93 -2.23 0.00 0.00 178.31 177.14 2g8r h GLU 9 N 0.47 0.86 -0.22 1.11 5.08 -0.77 0.16 114.58 121.28 2g8r h GLU 9 Ca 0.26 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2g8r h GLU 9 Cb 0.24 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2g8r h GLU 9 CO -0.22 0.87 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.33 2g8r h ARG 10 N 0.79 0.55 0.00 2.33 2.43 -0.49 -2.53 114.38 117.47 2g8r h ARG 10 Ca 0.15 -0.30 -0.16 0.00 -0.81 0.00 0.00 59.98 58.85 2g8r h ARG 10 Cb 0.50 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2g8r h ARG 10 CO 0.03 0.89 -0.84 1.96 -1.51 0.00 0.00 179.97 180.50 2g8r h GLN 11 N 0.23 0.00 0.00 0.20 4.20 -0.67 -3.42 115.11 115.66 2g8r h GLN 11 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2g8r h GLN 11 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2g8r h GLN 11 CO 0.06 0.71 -0.03 0.72 -0.67 0.00 0.00 178.83 179.61 2g8r n HIS 12 N -3.25 0.00 -3.79 2.96 8.25 0.55 -4.66 115.22 115.29 2g8r n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2g8r n HIS 12 Cb 0.85 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.87 2g8r n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2g8r s MET 13 N -0.55 4.09 -0.39 -0.41 -1.94 -0.95 0.43 119.30 119.57 2g8r s MET 13 Ca 0.00 -0.27 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 2g8r s MET 13 Cb 0.00 -3.39 0.16 0.00 2.01 0.00 0.00 34.83 33.61 2g8r s MET 13 CO 0.00 0.22 0.32 0.34 -0.01 0.00 0.00 175.02 175.89 2g8r s ASP 14 N 0.58 1.72 0.00 3.03 2.15 -0.28 -4.84 116.67 119.04 2g8r s ASP 14 Ca 0.06 -2.61 0.29 0.00 0.43 0.00 0.00 52.55 50.72 2g8r s ASP 14 Cb -0.12 -0.22 1.57 0.00 -0.30 0.00 0.00 42.92 43.84 2g8r s ASP 14 CO 0.00 -0.21 2.04 -1.20 -0.17 0.00 0.00 175.17 175.63 2g8r n SER 15 N 3.33 0.00 -0.05 -0.34 7.64 -1.26 -4.02 113.62 118.92 2g8r n SER 15 Ca 0.22 -0.41 -0.08 0.00 1.01 0.00 0.00 58.87 59.62 2g8r n SER 15 Cb 0.45 -0.19 0.10 0.00 -1.01 0.00 0.00 64.21 63.56 2g8r n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2g8r h SER 16 N 0.00 0.70 -4.33 6.43 4.64 -1.93 -3.46 113.55 115.61 2g8r h SER 16 Ca 0.00 -0.28 -0.47 0.00 -0.47 0.00 0.00 61.79 60.57 2g8r h SER 16 Cb 0.18 -0.19 -0.24 0.00 -0.31 0.00 0.00 62.40 61.83 2g8r h SER 16 CO 0.00 0.96 -0.80 0.28 -0.87 0.00 0.00 176.83 176.40 2g8r s THR 17 N -4.45 1.24 0.33 2.95 -1.32 -1.26 -5.05 115.64 108.09 2g8r s THR 17 Ca -0.08 -1.11 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 2g8r s THR 17 Cb 0.13 -1.12 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 2g8r s THR 17 CO 0.83 -0.00 1.79 -1.28 -2.21 0.00 0.00 174.62 173.75 2g8r h SER 18 N 4.77 0.23 -5.18 8.08 0.87 -1.88 -3.45 113.55 117.00 2g8r h SER 18 Ca -0.40 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.03 2g8r h SER 18 Cb 1.18 -0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.97 2g8r h SER 18 CO 0.43 0.53 -0.12 0.00 -0.53 0.00 0.00 176.83 177.14 2g8r s ALA 19 N -4.38 -0.47 0.16 6.23 0.00 -1.26 -4.89 121.76 117.14 2g8r s ALA 19 Ca -0.05 -0.59 -0.32 0.00 0.00 0.00 0.00 51.96 51.00 2g8r s ALA 19 Cb 0.14 0.90 -0.12 0.00 0.00 0.00 0.00 23.12 24.04 2g8r s ALA 19 CO 0.75 -0.76 1.76 0.00 0.00 0.00 0.00 175.76 177.51 2g8r n ALA 20 N -0.31 2.33 0.11 0.00 0.00 -1.26 -4.92 120.51 116.45 2g8r n ALA 20 Ca -0.07 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 2g8r n ALA 20 Cb 0.62 -2.53 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 2g8r n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2g8r h SER 21 N 7.51 -1.20 -2.06 0.00 0.87 -1.98 -3.47 113.55 113.22 2g8r h SER 21 Ca -0.45 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2g8r h SER 21 Cb 1.22 0.43 -0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2g8r h SER 21 CO 0.94 -0.44 -0.01 -1.54 -0.53 0.00 0.00 176.83 175.25 2g8r n SER 22 N -4.76 0.02 0.00 6.23 3.41 -1.26 -5.01 113.62 112.26 2g8r n SER 22 Ca -0.07 -1.03 0.11 0.00 -0.26 0.00 0.00 58.87 57.61 2g8r n SER 22 Cb 0.32 0.03 0.60 0.00 -0.26 0.00 0.00 64.21 64.90 2g8r n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2g8r n SER 23 N -2.94 0.00 -0.93 4.04 3.41 -1.26 -2.42 113.62 113.51 2g8r n SER 23 Ca 0.00 -0.41 0.09 0.00 -0.26 0.00 0.00 58.87 58.30 2g8r n SER 23 Cb 0.01 -0.12 0.18 0.00 -0.26 0.00 0.00 64.21 64.02 2g8r n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2g8r n ASN 24 N -1.12 3.11 -0.05 4.04 2.85 -1.26 -4.32 115.26 118.50 2g8r n ASN 24 Ca 0.14 -1.90 -0.08 0.00 -0.11 0.00 0.00 54.58 52.63 2g8r n ASN 24 Cb 0.11 -0.21 -0.01 0.00 1.24 0.00 0.00 39.78 40.91 2g8r n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 2g8r h TYR 25 N 3.54 -0.28 -0.65 1.20 3.20 -1.87 -2.77 116.97 119.34 2g8r h TYR 25 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2g8r h TYR 25 Cb 0.84 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2g8r h TYR 25 CO 0.21 -0.18 0.11 0.00 -1.64 0.00 0.00 178.16 176.66 2g8r h ASN 27 N 1.00 0.06 -0.08 0.00 2.35 -1.77 0.89 115.58 118.03 2g8r h ASN 27 Ca 0.20 0.07 -0.21 0.00 -0.55 0.00 0.00 56.30 55.81 2g8r h ASN 27 Cb 0.44 0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.90 2g8r h ASN 27 CO 0.01 0.06 -0.78 1.56 -1.65 0.00 0.00 177.43 176.64 2g8r h GLN 28 N 0.25 0.66 -0.27 0.81 4.20 -1.34 -3.05 115.11 116.38 2g8r h GLN 28 Ca 0.22 -0.61 -0.13 0.00 0.06 0.00 0.00 58.65 58.18 2g8r h GLN 28 Cb 0.25 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2g8r h GLN 28 CO -0.26 1.22 -0.35 0.52 -0.67 0.00 0.00 178.83 179.28 2g8r h MET 29 N 0.32 0.71 -0.49 1.46 2.86 -0.90 0.15 114.93 119.05 2g8r h MET 29 Ca -0.08 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.12 2g8r h MET 29 Cb 1.43 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 2g8r h MET 29 CO 0.16 1.03 0.15 0.52 1.06 0.00 0.00 176.91 179.83 2g8r h MET 30 N 0.44 0.71 0.20 1.72 2.86 -0.94 -1.60 114.93 118.32 2g8r h MET 30 Ca 0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2g8r h MET 30 Cb 0.94 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2g8r h MET 30 CO 0.08 0.62 -0.09 -0.22 1.06 0.00 0.00 176.91 178.36 2g8r h LYS 31 N 0.70 -0.25 0.00 1.72 3.64 -1.41 0.34 116.57 121.31 2g8r h LYS 31 Ca 0.16 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2g8r h LYS 31 Cb 0.20 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2g8r h LYS 31 CO -0.01 0.07 -0.09 0.77 -2.27 0.00 0.00 179.45 177.93 2g8r h SER 32 N -0.60 0.00 -0.49 4.20 0.02 -0.75 -1.87 113.55 114.06 2g8r h SER 32 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2g8r h SER 32 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2g8r h SER 32 CO 0.04 0.09 0.00 0.54 -1.14 0.00 0.00 176.83 176.36 2g8r n ARG 33 N -4.34 2.37 -2.39 3.45 5.12 -0.62 -4.92 116.66 115.34 2g8r n ARG 33 Ca -0.03 -1.86 -0.16 0.00 -1.93 0.00 0.00 57.85 53.87 2g8r n ARG 33 Cb 0.16 -1.48 -0.00 0.00 -1.16 0.00 0.00 32.46 29.98 2g8r n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2g8r n ASN 34 N 0.90 -4.89 -1.13 0.55 3.02 -0.70 -4.83 115.26 108.18 2g8r n ASN 34 Ca 0.17 -0.04 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 2g8r n ASN 34 Cb 0.49 -3.96 0.26 0.00 -0.61 0.00 0.00 39.78 35.96 2g8r n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2g8r n LEU 35 N -2.46 3.33 -0.05 3.41 4.77 0.10 -3.99 117.00 122.11 2g8r n LEU 35 Ca -0.18 -1.54 0.01 0.00 -0.03 0.00 0.00 56.01 54.28 2g8r n LEU 35 Cb 0.64 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2g8r n LEU 35 CO 0.25 0.77 0.41 0.35 -1.33 0.00 0.00 177.39 177.83 2g8r n THR 36 N 1.36 0.72 0.50 -5.08 -2.24 -1.17 -1.57 114.28 106.80 2g8r n THR 36 Ca 0.20 -0.77 -0.20 0.00 -2.27 0.00 0.00 64.05 61.02 2g8r n THR 36 Cb 0.56 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 2g8r n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2g8r h LYS 37 N 0.00 -1.23 0.00 -0.78 3.64 -1.89 -3.37 116.57 112.94 2g8r h LYS 37 Ca 0.00 0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 2g8r h LYS 37 Cb 0.79 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2g8r h LYS 37 CO 0.00 -0.82 -1.92 -0.25 -2.27 0.00 0.00 179.45 174.19 2g8r n ASP 38 N -5.63 1.14 -3.90 4.20 8.00 -1.26 -5.01 116.55 114.09 2g8r n ASP 38 Ca -0.16 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.24 2g8r n ASP 38 Cb 0.51 1.32 -0.06 0.00 -0.02 0.00 0.00 41.12 42.87 2g8r n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g8r s ARG 39 N -2.77 1.31 -0.39 -1.24 1.70 -1.26 -5.08 118.95 111.22 2g8r s ARG 39 Ca -0.07 -1.10 -0.25 0.00 -0.47 0.00 0.00 55.73 53.84 2g8r s ARG 39 Cb 0.08 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.91 2g8r s ARG 39 CO 0.67 -0.52 0.90 0.00 -1.08 0.00 0.00 175.30 175.28 2g8r s LYS 41 N 3.48 3.89 0.20 0.00 2.20 -0.61 -4.89 119.74 124.01 2g8r s LYS 41 Ca 0.37 2.18 -0.07 0.00 -0.36 0.00 0.00 55.97 58.09 2g8r s LYS 41 Cb -0.12 -4.13 0.14 0.00 -1.51 0.00 0.00 37.83 32.22 2g8r s LYS 41 CO 0.20 -1.21 1.68 -1.35 -0.36 0.00 0.00 175.35 174.31 2g8r h PRO 42 N 11.17 1.01 -3.91 4.03 0.11 -1.94 -3.44 132.00 139.02 2g8r h PRO 42 Ca -0.42 -0.30 -0.33 0.00 0.11 0.00 0.00 66.00 65.06 2g8r h PRO 42 Cb 1.20 -0.10 -0.32 0.00 0.11 0.00 0.00 31.00 31.90 2g8r h PRO 42 CO 0.96 0.98 -0.75 0.08 -0.21 0.00 0.00 178.00 179.06 2g8r s VAL 43 N -5.03 0.25 -0.24 3.15 1.01 -1.26 -0.26 120.40 118.02 2g8r s VAL 43 Ca -0.11 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 2g8r s VAL 43 Cb 0.14 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 36.30 2g8r s VAL 43 CO 0.85 0.13 0.61 0.21 0.00 0.00 0.00 175.10 176.89 2g8r s ASN 44 N 0.56 -0.71 -0.15 3.32 2.47 -0.26 -5.01 114.94 115.17 2g8r s ASN 44 Ca -0.06 1.27 -0.04 0.00 0.42 0.00 0.00 52.86 54.45 2g8r s ASN 44 Cb -0.09 1.23 -0.03 0.00 -1.45 0.00 0.00 41.25 40.91 2g8r s ASN 44 CO -0.01 -0.22 0.00 -0.89 -3.72 0.00 0.00 177.10 172.27 2g8r s THR 45 N 0.83 4.29 -0.09 -5.21 2.01 -1.26 -0.34 115.64 115.87 2g8r s THR 45 Ca -0.04 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2g8r s THR 45 Cb -0.05 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2g8r s THR 45 CO -0.07 0.51 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.01 2g8r s PHE 46 N 0.06 3.15 -0.19 4.92 0.08 -0.11 -4.37 117.98 121.53 2g8r s PHE 46 Ca 0.02 0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.17 2g8r s PHE 46 Cb -0.13 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 2g8r s PHE 46 CO 0.02 0.41 0.00 0.08 -0.10 0.00 0.00 175.22 175.63 2g8r s VAL 47 N -0.73 4.03 -0.96 -0.44 1.01 0.17 -0.54 120.40 122.94 2g8r s VAL 47 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2g8r s VAL 47 Cb -0.12 -2.81 0.31 0.00 0.00 0.00 0.00 36.38 33.76 2g8r s VAL 47 CO 0.02 0.44 1.53 1.41 0.00 0.00 0.00 175.10 178.50 2g8r n HIS 48 N 4.10 2.81 -4.32 5.22 -0.00 0.13 -1.12 115.22 122.04 2g8r n HIS 48 Ca -0.17 -2.86 -0.17 0.00 -0.00 0.00 0.00 57.72 54.52 2g8r n HIS 48 Cb 0.52 -1.08 -0.10 0.00 -0.00 0.00 0.00 29.99 29.33 2g8r n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2g8r s GLU 49 N -3.59 1.48 0.61 -0.41 0.41 -1.26 -4.46 118.70 111.48 2g8r s GLU 49 Ca 0.38 -1.82 -0.18 0.00 -0.41 0.00 0.00 54.97 52.93 2g8r s GLU 49 Cb 0.15 -0.16 -0.03 0.00 -1.78 0.00 0.00 34.13 32.32 2g8r s GLU 49 CO -0.04 -0.37 1.21 -1.54 -0.49 0.00 0.00 175.26 174.03 2g8r s SER 50 N -3.33 5.03 0.26 -0.19 1.04 -1.26 -4.14 113.70 111.11 2g8r s SER 50 Ca 0.37 2.40 -0.01 0.00 0.48 0.00 0.00 55.95 59.18 2g8r s SER 50 Cb 0.06 -2.60 0.48 0.00 0.10 0.00 0.00 66.02 64.06 2g8r s SER 50 CO 0.15 -1.70 1.82 0.25 0.98 0.00 0.00 173.24 174.75 2g8r h LEU 51 N 0.71 0.81 -0.63 2.42 5.85 -1.97 -1.98 115.31 120.53 2g8r h LEU 51 Ca -0.50 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.30 2g8r h LEU 51 Cb 1.30 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2g8r h LEU 51 CO 0.54 0.44 0.38 0.00 -0.34 0.00 0.00 178.44 179.46 2g8r h ALA 52 N 1.50 0.82 -0.49 1.25 0.00 -1.99 0.27 119.26 120.62 2g8r h ALA 52 Ca 0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 2g8r h ALA 52 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2g8r h ALA 52 CO -0.26 0.10 0.01 -0.44 0.00 0.00 0.00 179.25 178.66 2g8r h ASP 53 N 0.73 0.77 -0.13 0.00 5.19 -1.78 -0.59 116.42 120.61 2g8r h ASP 53 Ca 0.26 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 2g8r h ASP 53 Cb 0.07 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.38 2g8r h ASP 53 CO -0.13 0.83 -0.40 0.58 -3.12 0.00 0.00 179.24 177.01 2g8r h VAL 54 N 0.75 1.36 -0.40 -1.35 2.07 -0.96 -3.08 116.25 114.65 2g8r h VAL 54 Ca 0.15 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 66.00 2g8r h VAL 54 Cb 0.44 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2g8r h VAL 54 CO 0.02 0.51 0.27 1.56 0.02 0.00 0.00 177.57 179.94 2g8r h GLN 55 N 0.11 0.45 0.00 1.57 4.20 -0.82 -1.46 115.11 119.14 2g8r h GLN 55 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2g8r h GLN 55 Cb 1.02 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2g8r h GLN 55 CO 0.08 0.30 -0.01 0.00 -0.67 0.00 0.00 178.83 178.53 2g8r h ALA 56 N 1.76 1.05 -0.01 3.87 0.00 -1.01 -2.17 119.26 122.75 2g8r h ALA 56 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2g8r h ALA 56 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2g8r h ALA 56 CO -0.04 0.01 0.01 0.28 0.00 0.00 0.00 179.25 179.51 2g8r h VAL 57 N 0.00 0.55 0.00 0.00 2.07 -1.28 -1.04 116.25 116.54 2g8r h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2g8r h VAL 57 Cb 0.15 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2g8r h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2g8r n SER 59 N -1.71 3.06 0.00 0.00 7.64 -0.39 -4.99 113.62 117.22 2g8r n SER 59 Ca 0.01 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2g8r n SER 59 Cb 0.10 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2g8r n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g8r n GLN 60 N -0.42 0.29 -2.79 1.43 6.02 -0.19 -5.00 117.38 116.72 2g8r n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 2g8r n GLN 60 Cb 0.63 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.85 2g8r n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2g8r s LYS 61 N 4.10 3.48 0.16 -1.09 2.20 -0.87 -4.88 119.74 122.84 2g8r s LYS 61 Ca 0.00 0.07 -0.32 0.00 -0.36 0.00 0.00 55.97 55.36 2g8r s LYS 61 Cb 0.00 -3.97 -0.10 0.00 -1.51 0.00 0.00 37.83 32.25 2g8r s LYS 61 CO 0.00 -1.35 1.56 1.21 -0.36 0.00 0.00 175.35 176.42 2g8r s ASN 62 N 2.50 6.59 0.07 1.43 3.04 -1.26 0.03 114.94 127.35 2g8r s ASN 62 Ca 0.36 2.61 -0.03 0.00 0.04 0.00 0.00 52.86 55.85 2g8r s ASN 62 Cb -0.10 -2.59 -0.03 0.00 -1.54 0.00 0.00 41.25 36.98 2g8r s ASN 62 CO 0.25 -0.82 0.03 0.68 -3.04 0.00 0.00 177.10 174.20 2g8r s VAL 63 N 1.14 0.18 0.54 -5.21 -7.23 0.31 -4.89 120.40 105.24 2g8r s VAL 63 Ca 0.70 -1.70 -0.20 0.00 -1.81 0.00 0.00 61.98 58.97 2g8r s VAL 63 Cb -0.44 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2g8r s VAL 63 CO 0.31 -0.83 1.19 0.00 -0.31 0.00 0.00 175.10 175.46 2g8r s ALA 64 N -3.93 2.71 0.61 1.32 0.00 -1.26 -2.91 121.76 118.29 2g8r s ALA 64 Ca 0.10 0.97 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 2g8r s ALA 64 Cb 0.07 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.78 2g8r s ALA 64 CO -0.08 -0.95 0.94 0.00 0.00 0.00 0.00 175.76 175.67 2g8r h LYS 66 N -0.26 0.71 0.00 0.00 3.64 -1.93 -0.78 116.57 117.95 2g8r h LYS 66 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2g8r h LYS 66 Cb 1.25 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2g8r h LYS 66 CO 0.61 0.47 0.00 0.27 -2.27 0.00 0.00 179.45 178.53 2g8r n ASN 67 N -4.56 0.00 0.00 4.20 0.23 -1.26 -4.89 115.26 108.98 2g8r n ASN 67 Ca 0.17 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 2g8r n ASN 67 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2g8r n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2g8r n GLY 68 N 0.82 1.46 3.80 4.83 0.00 -0.30 -5.05 105.19 110.75 2g8r n GLY 68 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2g8r n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g8r s GLN 69 N -0.51 2.61 -0.23 1.61 -0.21 -1.26 -4.73 119.66 116.95 2g8r s GLN 69 Ca 0.00 0.96 0.11 0.00 0.02 0.00 0.00 55.36 56.45 2g8r s GLN 69 Cb 0.00 -1.95 0.44 0.00 1.00 0.00 0.00 33.01 32.50 2g8r s GLN 69 CO 0.00 -1.33 1.31 0.25 -2.12 0.00 0.00 175.29 173.39 2g8r n THR 70 N -3.29 2.31 -1.24 -0.19 -2.24 -1.26 0.38 114.28 108.75 2g8r n THR 70 Ca 0.08 -2.95 -0.21 0.00 -2.27 0.00 0.00 64.05 58.69 2g8r n THR 70 Cb 0.54 -0.27 0.19 0.00 -2.10 0.00 0.00 70.33 68.69 2g8r n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2g8r n ASN 71 N -1.13 3.69 -4.91 3.42 6.94 -1.26 -4.72 115.26 117.29 2g8r n ASN 71 Ca 0.24 -3.61 -0.27 0.00 -0.02 0.00 0.00 54.58 50.92 2g8r n ASN 71 Cb 0.81 -0.82 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 2g8r n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2g8r s TYR 73 N -1.68 0.12 -0.16 0.00 1.51 0.24 -0.53 117.35 116.85 2g8r s TYR 73 Ca 0.34 0.03 -0.09 0.00 -1.01 0.00 0.00 57.07 56.34 2g8r s TYR 73 Cb -0.11 -0.20 -0.05 0.00 -0.11 0.00 0.00 41.96 41.50 2g8r s TYR 73 CO 0.27 -0.06 0.14 -1.14 -1.11 0.00 0.00 175.55 173.66 2g8r s GLN 74 N 0.56 3.88 0.31 -0.62 0.74 0.11 -1.19 119.66 123.44 2g8r s GLN 74 Ca -0.05 -0.17 -0.29 0.00 0.05 0.00 0.00 55.36 54.90 2g8r s GLN 74 Cb -0.07 -3.32 -0.10 0.00 1.10 0.00 0.00 33.01 30.61 2g8r s GLN 74 CO -0.01 0.50 1.35 -1.54 -0.55 0.00 0.00 175.29 175.04 2g8r s SER 75 N -0.23 6.71 0.16 6.67 1.04 0.31 -2.06 113.70 126.31 2g8r s SER 75 Ca 0.11 2.71 -0.11 0.00 0.48 0.00 0.00 55.95 59.14 2g8r s SER 75 Cb -0.12 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.39 2g8r s SER 75 CO 0.01 -0.60 1.60 1.88 0.98 0.00 0.00 173.24 177.11 2g8r h TYR 76 N 3.76 1.08 -2.96 5.02 0.05 -1.95 -3.43 116.97 118.54 2g8r h TYR 76 Ca -0.48 -0.20 -0.53 0.00 0.05 0.00 0.00 58.73 57.56 2g8r h TYR 76 Cb 1.23 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.68 2g8r h TYR 76 CO 0.57 0.99 -0.27 -1.12 -1.05 0.00 0.00 178.16 177.28 2g8r s SER 77 N -6.52 6.41 0.61 3.88 0.01 -1.26 -5.05 113.70 111.78 2g8r s SER 77 Ca -0.12 0.50 -0.17 0.00 1.31 0.00 0.00 55.95 57.47 2g8r s SER 77 Cb 0.12 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 2g8r s SER 77 CO 0.85 -0.09 1.13 0.42 0.41 0.00 0.00 173.24 175.95 2g8r s THR 78 N -1.94 3.14 0.06 1.44 -4.23 -1.26 -4.43 115.64 108.43 2g8r s THR 78 Ca 0.40 0.62 0.05 0.00 -1.18 0.00 0.00 61.69 61.58 2g8r s THR 78 Cb -0.11 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 2g8r s THR 78 CO 0.29 -0.25 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.95 2g8r s MET 79 N -3.70 0.83 -0.15 3.99 -1.94 0.87 -4.84 119.30 114.35 2g8r s MET 79 Ca 0.70 -0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 53.49 2g8r s MET 79 Cb -0.23 -0.83 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 2g8r s MET 79 CO 0.35 0.19 1.66 0.45 -0.01 0.00 0.00 175.02 177.65 2g8r s SER 80 N -1.59 6.46 0.23 3.03 0.15 -1.26 -1.46 113.70 119.25 2g8r s SER 80 Ca -0.01 1.88 0.06 0.00 0.70 0.00 0.00 55.95 58.58 2g8r s SER 80 Cb -0.09 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 2g8r s SER 80 CO 0.02 -1.15 -0.09 0.27 1.20 0.00 0.00 173.24 173.49 2g8r s ILE 81 N 4.87 1.54 -0.12 6.45 -4.36 0.21 0.17 121.20 129.97 2g8r s ILE 81 Ca 0.73 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 2g8r s ILE 81 Cb -0.29 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.22 2g8r s ILE 81 CO 0.29 -0.46 -0.15 -0.89 0.24 0.00 0.00 174.94 173.98 2g8r s THR 82 N -3.09 1.48 -0.19 8.37 2.01 0.30 -1.41 115.64 123.11 2g8r s THR 82 Ca 0.25 -0.62 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 2g8r s THR 82 Cb 0.02 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 2g8r s THR 82 CO 0.08 0.44 0.51 -0.62 -0.69 0.00 0.00 174.62 174.34 2g8r s ASP 83 N 1.12 6.56 -0.22 3.53 2.15 0.46 -0.93 116.67 129.34 2g8r s ASP 83 Ca -0.04 0.67 -0.05 0.00 0.43 0.00 0.00 52.55 53.57 2g8r s ASP 83 Cb -0.14 -2.29 -0.02 0.00 -0.30 0.00 0.00 42.92 40.17 2g8r s ASP 83 CO -0.04 -0.16 -0.02 0.00 -0.17 0.00 0.00 175.17 174.79 2g8r s ARG 85 N 1.37 1.39 0.35 0.00 3.52 -0.92 -1.10 118.95 123.56 2g8r s ARG 85 Ca 0.04 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.07 2g8r s ARG 85 Cb -0.14 -1.23 -0.12 0.00 -1.56 0.00 0.00 34.95 31.90 2g8r s ARG 85 CO -0.01 -0.04 1.38 -1.91 -0.81 0.00 0.00 175.30 173.92 2g8r n GLU 86 N 4.00 2.35 -1.38 5.12 2.13 0.64 -0.61 120.64 132.88 2g8r n GLU 86 Ca -0.22 0.82 -0.30 0.00 0.66 0.00 0.00 57.16 58.12 2g8r n GLU 86 Cb 0.51 -2.47 0.11 0.00 0.27 0.00 0.00 31.44 29.86 2g8r n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2g8r s THR 87 N -1.00 3.01 0.42 6.31 -4.23 -0.55 -4.77 115.64 114.81 2g8r s THR 87 Ca 0.56 0.33 0.24 0.00 -1.18 0.00 0.00 61.69 61.63 2g8r s THR 87 Cb -0.54 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 70.62 2g8r s THR 87 CO 0.62 -0.43 2.04 1.23 -0.54 0.00 0.00 174.62 177.54 2g8r h GLY 88 N -1.25 0.00 -0.82 3.99 0.00 -1.93 -2.94 103.07 100.13 2g8r h GLY 88 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2g8r h GLY 88 CO 0.56 0.00 -0.52 -1.14 0.00 0.00 0.00 176.54 175.45 2g8r n SER 89 N -3.80 1.87 -4.72 0.19 3.41 -1.26 -4.97 113.62 104.33 2g8r n SER 89 Ca -0.02 -1.42 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 2g8r n SER 89 Cb 0.25 0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.68 2g8r n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2g8r s SER 90 N -2.53 6.46 -0.06 4.04 0.15 -1.11 -5.00 113.70 115.64 2g8r s SER 90 Ca 0.18 2.79 -0.02 0.00 0.70 0.00 0.00 55.95 59.59 2g8r s SER 90 Cb 0.18 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2g8r s SER 90 CO 0.60 -0.90 0.05 -0.75 1.20 0.00 0.00 173.24 173.44 2g8r s LYS 91 N 0.85 0.06 0.25 5.44 2.47 -1.24 -4.92 119.74 122.65 2g8r s LYS 91 Ca 0.71 0.29 -0.30 0.00 -1.56 0.00 0.00 55.97 55.12 2g8r s LYS 91 Cb -0.47 -0.69 -0.15 0.00 -1.46 0.00 0.00 37.83 35.06 2g8r s LYS 91 CO 0.35 -0.35 1.06 0.98 0.16 0.00 0.00 175.35 177.55 2g8r n TYR 92 N 5.27 1.28 1.46 4.03 9.36 -1.26 -1.15 117.16 136.15 2g8r n TYR 92 Ca -0.04 0.69 0.14 0.00 3.32 0.00 0.00 57.90 62.01 2g8r n TYR 92 Cb 0.50 -2.26 0.67 0.00 -0.63 0.00 0.00 39.34 37.62 2g8r n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2g8r n PRO 93 N 1.11 0.66 -2.56 2.98 -0.05 -1.26 -4.97 135.00 130.91 2g8r n PRO 93 Ca 0.12 -0.16 -0.43 0.00 -0.05 0.00 0.00 63.50 62.97 2g8r n PRO 93 Cb 0.30 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.25 2g8r n PRO 93 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2g8r n ASN 94 N -1.03 5.25 -4.65 3.54 4.13 -0.30 -4.99 115.26 117.21 2g8r n ASN 94 Ca 0.15 -3.11 -0.43 0.00 1.68 0.00 0.00 54.58 52.88 2g8r n ASN 94 Cb 0.26 -1.48 -0.02 0.00 -1.54 0.00 0.00 39.78 36.99 2g8r n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2g8r s ALA 96 N 4.23 2.60 0.06 0.00 0.00 -1.26 -4.88 121.76 122.51 2g8r s ALA 96 Ca 0.66 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2g8r s ALA 96 Cb -0.26 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 2g8r s ALA 96 CO 0.24 0.47 -0.15 0.71 0.00 0.00 0.00 175.76 177.04 2g8r s TYR 97 N -0.42 1.26 -0.08 0.00 1.51 -1.26 -1.49 117.35 116.86 2g8r s TYR 97 Ca 0.05 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 2g8r s TYR 97 Cb -0.12 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 2g8r s TYR 97 CO 0.02 0.06 0.47 0.21 -1.11 0.00 0.00 175.55 175.19 2g8r s LYS 98 N -1.48 4.25 -0.20 -0.62 2.47 0.22 -4.67 119.74 119.71 2g8r s LYS 98 Ca 0.00 0.46 -0.13 0.00 -1.56 0.00 0.00 55.97 54.75 2g8r s LYS 98 Cb -0.09 -3.38 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 2g8r s LYS 98 CO 0.02 0.30 0.25 0.99 0.16 0.00 0.00 175.35 177.07 2g8r s THR 99 N 0.16 5.31 -0.15 3.43 2.01 -1.26 -2.15 115.64 122.99 2g8r s THR 99 Ca 0.26 0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 2g8r s THR 99 Cb -0.16 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 68.81 2g8r s THR 99 CO 0.11 0.36 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.50 2g8r s THR 100 N 0.80 0.70 0.20 -0.82 2.01 -0.58 -5.00 115.64 112.94 2g8r s THR 100 Ca 0.13 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.47 2g8r s THR 100 Cb -0.13 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.31 2g8r s THR 100 CO 0.04 0.05 0.86 -1.10 -0.69 0.00 0.00 174.62 173.78 2g8r s GLN 101 N 1.81 4.72 0.15 4.92 -0.21 -1.26 -0.40 119.66 129.38 2g8r s GLN 101 Ca 0.01 1.33 -0.15 0.00 0.02 0.00 0.00 55.36 56.57 2g8r s GLN 101 Cb -0.15 -3.27 0.03 0.00 1.00 0.00 0.00 33.01 30.61 2g8r s GLN 101 CO -0.07 0.54 0.41 0.00 -2.12 0.00 0.00 175.29 174.04 2g8r s ALA 102 N -1.14 -0.77 -0.28 6.09 0.00 -0.50 -4.96 121.76 120.20 2g8r s ALA 102 Ca 0.39 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2g8r s ALA 102 Cb -0.25 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.69 2g8r s ALA 102 CO 0.29 -0.68 -0.07 -0.80 0.00 0.00 0.00 175.76 174.51 2g8r s ASN 103 N -2.85 4.54 0.10 0.00 0.01 -1.26 -0.62 114.94 114.87 2g8r s ASN 103 Ca 0.07 -1.60 -0.03 0.00 -0.71 0.00 0.00 52.86 50.59 2g8r s ASN 103 Cb 0.01 -1.57 -0.03 0.00 0.41 0.00 0.00 41.25 40.07 2g8r s ASN 103 CO -0.08 -0.24 0.07 -0.54 -1.51 0.00 0.00 177.10 174.80 2g8r s LYS 104 N 1.05 0.83 0.32 -0.60 1.02 -0.53 -4.75 119.74 117.07 2g8r s LYS 104 Ca -0.04 -1.27 -0.28 0.00 0.02 0.00 0.00 55.97 54.40 2g8r s LYS 104 Cb -0.20 0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 37.28 2g8r s LYS 104 CO -0.06 -0.23 1.09 -1.01 -0.92 0.00 0.00 175.35 174.23 2g8r s HIS 105 N -3.97 3.47 0.12 3.18 3.76 -0.06 -0.09 115.29 121.69 2g8r s HIS 105 Ca 0.15 1.68 0.04 0.00 -0.15 0.00 0.00 55.06 56.77 2g8r s HIS 105 Cb 0.07 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 2g8r s HIS 105 CO -0.04 -0.62 0.13 0.96 -0.85 0.00 0.00 174.74 174.32 2g8r s ILE 106 N -1.30 4.64 -0.14 0.60 -4.36 -1.26 -0.42 121.20 118.95 2g8r s ILE 106 Ca 0.48 -0.86 0.01 0.00 -0.26 0.00 0.00 60.65 60.03 2g8r s ILE 106 Cb -0.29 -3.30 0.02 0.00 1.25 0.00 0.00 42.46 40.13 2g8r s ILE 106 CO 0.38 0.02 -0.17 -0.63 0.24 0.00 0.00 174.94 174.78 2g8r s ILE 107 N -1.57 1.73 0.12 8.37 1.01 0.53 -0.53 121.20 130.87 2g8r s ILE 107 Ca 0.31 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.28 2g8r s ILE 107 Cb -0.11 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2g8r s ILE 107 CO 0.23 0.49 -0.19 0.68 0.00 0.00 0.00 174.94 176.15 2g8r s VAL 108 N 1.22 1.65 -0.03 2.92 -7.23 -0.33 -0.31 120.40 118.28 2g8r s VAL 108 Ca 0.00 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 2g8r s VAL 108 Cb -0.14 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 2g8r s VAL 108 CO -0.08 -0.20 0.41 0.00 -0.31 0.00 0.00 175.10 174.92 2g8r s ALA 109 N -1.57 3.65 0.06 1.32 0.00 -0.17 -0.59 121.76 124.45 2g8r s ALA 109 Ca 0.09 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.91 2g8r s ALA 109 Cb -0.08 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2g8r s ALA 109 CO 0.05 0.37 -0.26 0.00 0.00 0.00 0.00 175.76 175.92 2g8r s GLU 111 N -1.39 0.98 0.10 0.00 2.12 -0.60 -4.87 118.70 115.04 2g8r s GLU 111 Ca 0.12 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.45 2g8r s GLU 111 Cb -0.10 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.75 2g8r s GLU 111 CO 0.03 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 2g8r n GLY 112 N 0.42 -3.13 2.81 -1.50 0.00 -1.26 -3.01 105.19 99.52 2g8r n GLY 112 Ca -0.15 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 2g8r n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2g8r s ASN 113 N -1.56 3.36 0.73 1.61 3.04 -1.26 -2.05 114.94 118.81 2g8r s ASN 113 Ca 0.00 -1.02 -0.13 0.00 0.04 0.00 0.00 52.86 51.75 2g8r s ASN 113 Cb 0.00 -0.84 0.04 0.00 -1.54 0.00 0.00 41.25 38.91 2g8r s ASN 113 CO 0.00 -0.29 1.12 -2.16 -3.04 0.00 0.00 177.10 172.73 2g8r s PRO 114 N 1.66 2.34 -0.70 0.43 0.04 -1.26 -5.09 135.00 132.43 2g8r s PRO 114 Ca -0.02 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 2g8r s PRO 114 Cb -0.18 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.55 2g8r s PRO 114 CO -0.09 -1.61 1.00 -0.47 0.04 0.00 0.00 177.00 175.88 2g8r s TYR 115 N -2.52 2.73 0.22 0.56 5.04 -0.87 -4.85 117.35 117.66 2g8r s TYR 115 Ca 0.66 -0.67 0.04 0.00 -2.44 0.00 0.00 57.07 54.66 2g8r s TYR 115 Cb -0.21 -4.30 -0.05 0.00 0.35 0.00 0.00 41.96 37.75 2g8r s TYR 115 CO 0.49 -1.64 -0.02 0.14 -1.34 0.00 0.00 175.55 173.18 2g8r s VAL 116 N 3.90 1.09 0.27 3.14 -7.23 -1.17 -4.83 120.40 115.59 2g8r s VAL 116 Ca 0.24 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 2g8r s VAL 116 Cb -0.15 -2.27 -0.11 0.00 0.56 0.00 0.00 36.38 34.41 2g8r s VAL 116 CO 0.07 -0.39 1.56 -2.84 -0.31 0.00 0.00 175.10 173.19 2g8r s PRO 117 N -3.84 4.17 0.00 4.82 0.02 -1.26 -1.56 135.00 137.35 2g8r s PRO 117 Ca 0.27 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.78 2g8r s PRO 117 Cb 0.05 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2g8r s PRO 117 CO 0.08 -0.58 0.19 1.33 -0.33 0.00 0.00 177.00 177.68 2g8r n VAL 118 N 2.43 0.00 -3.66 3.83 0.24 0.81 -4.38 118.33 117.59 2g8r n VAL 118 Ca 0.09 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 2g8r n VAL 118 Cb 0.38 1.16 -0.08 0.00 -1.47 0.00 0.00 33.84 33.82 2g8r n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2g8r s HIS 119 N -0.33 -0.75 -0.34 6.34 3.76 -1.19 -4.71 115.29 118.06 2g8r s HIS 119 Ca 0.00 1.71 -0.20 0.00 -0.15 0.00 0.00 55.06 56.42 2g8r s HIS 119 Cb 0.00 0.33 -0.00 0.00 1.11 0.00 0.00 32.58 34.01 2g8r s HIS 119 CO 0.00 -0.37 0.62 0.12 -0.85 0.00 0.00 174.74 174.26 2g8r s PHE 120 N 0.75 3.17 -0.17 1.40 5.36 -1.26 -1.00 117.98 126.23 2g8r s PHE 120 Ca -0.03 0.39 -0.16 0.00 -0.96 0.00 0.00 56.93 56.16 2g8r s PHE 120 Cb -0.05 -3.07 -0.22 0.00 -0.34 0.00 0.00 43.02 39.33 2g8r s PHE 120 CO -0.05 -0.58 0.31 0.22 -1.46 0.00 0.00 175.22 173.66 2g8r h ASP 121 N 8.39 0.18 -5.39 6.13 3.58 -1.01 -3.49 116.42 124.82 2g8r h ASP 121 Ca -0.27 -0.70 0.27 0.00 0.42 0.00 0.00 57.03 56.75 2g8r h ASP 121 Cb 1.11 -0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.98 2g8r h ASP 121 CO 0.82 1.63 0.72 0.00 -2.88 0.00 0.00 179.24 179.53 2g8r s ALA 122 N -2.44 -2.04 0.03 -0.78 0.00 -1.06 -4.95 121.76 110.51 2g8r s ALA 122 Ca -0.26 0.69 0.09 0.00 0.00 0.00 0.00 51.96 52.48 2g8r s ALA 122 Cb 0.06 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2g8r s ALA 122 CO 0.67 -0.97 -0.26 -1.54 0.00 0.00 0.00 175.76 173.66 2g8r s SER 123 N -2.84 3.12 0.00 0.00 1.04 -1.26 -0.34 113.70 113.41 2g8r s SER 123 Ca 0.12 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2g8r s SER 123 Cb 0.02 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2g8r s SER 123 CO -0.03 0.27 0.26 1.33 0.98 0.00 0.00 173.24 176.05