#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4r n ARG 4 N 0.00 0.00 -4.97 -2.82 0.63 -1.26 -4.80 116.66 103.45 2g4r n ARG 4 Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 2g4r n ARG 4 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 2g4r n ARG 4 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2g4r s SER 5 N -1.72 2.38 0.11 6.15 1.04 -1.26 -4.41 113.70 116.00 2g4r s SER 5 Ca 0.00 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 2g4r s SER 5 Cb 0.00 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.67 2g4r s SER 5 CO 0.00 0.21 0.37 0.00 0.98 0.00 0.00 173.24 174.80 2g4r s ALA 6 N -0.23 -0.84 0.16 5.32 0.00 -1.26 -1.86 121.76 123.05 2g4r s ALA 6 Ca 0.02 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 51.96 2g4r s ALA 6 Cb -0.10 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2g4r s ALA 6 CO 0.01 -0.60 -0.14 1.03 0.00 0.00 0.00 175.76 176.07 2g4r s ARG 7 N -3.61 1.16 -0.11 0.00 0.52 -0.52 -4.93 118.95 111.47 2g4r s ARG 7 Ca 0.02 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 53.83 2g4r s ARG 7 Cb 0.02 -0.95 0.01 0.00 0.52 0.00 0.00 34.95 34.55 2g4r s ARG 7 CO -0.10 0.16 -0.18 0.42 0.02 0.00 0.00 175.30 175.62 2g4r s ILE 8 N -2.71 1.68 -0.21 1.52 1.01 -1.26 -1.17 121.20 120.06 2g4r s ILE 8 Ca 0.16 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2g4r s ILE 8 Cb -0.02 -1.51 0.05 0.00 0.01 0.00 0.00 42.46 41.00 2g4r s ILE 8 CO 0.04 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 2g4r s VAL 9 N 0.80 1.56 -0.23 2.92 1.01 -0.43 -0.67 120.40 125.36 2g4r s VAL 9 Ca -0.10 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 2g4r s VAL 9 Cb -0.16 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 2g4r s VAL 9 CO 0.01 0.04 0.22 -0.69 0.00 0.00 0.00 175.10 174.67 2g4r s VAL 10 N 1.41 5.32 -0.42 2.92 1.01 0.83 -1.46 120.40 130.00 2g4r s VAL 10 Ca -0.03 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 2g4r s VAL 10 Cb -0.17 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.70 2g4r s VAL 10 CO -0.07 0.32 0.30 -0.69 0.00 0.00 0.00 175.10 174.96 2g4r s VAL 11 N 1.14 4.91 -0.30 2.92 1.01 0.36 -0.31 120.40 130.13 2g4r s VAL 11 Ca 0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2g4r s VAL 11 Cb -0.14 -3.84 0.14 0.00 0.00 0.00 0.00 36.38 32.55 2g4r s VAL 11 CO 0.05 -0.41 0.76 -0.55 0.00 0.00 0.00 175.10 174.95 2g4r s SER 12 N 2.00 -0.98 0.15 3.32 0.15 0.65 -4.24 113.70 114.76 2g4r s SER 12 Ca 0.04 1.28 -0.12 0.00 0.70 0.00 0.00 55.95 57.85 2g4r s SER 12 Cb -0.21 2.09 0.02 0.00 -1.71 0.00 0.00 66.02 66.21 2g4r s SER 12 CO 0.07 -0.19 1.61 0.28 1.20 0.00 0.00 173.24 176.21 2g4r h SER 13 N 7.85 0.88 -0.11 5.45 0.02 -1.89 0.94 113.55 126.68 2g4r h SER 13 Ca -0.17 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2g4r h SER 13 Cb 1.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2g4r h SER 13 CO 0.10 0.97 0.06 0.03 -1.14 0.00 0.00 176.83 176.84 2g4r h ARG 14 N 0.76 0.15 -0.48 3.45 3.08 -1.96 -2.16 114.38 117.22 2g4r h ARG 14 Ca 0.14 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 2g4r h ARG 14 Cb 0.52 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2g4r h ARG 14 CO 0.03 0.19 0.03 0.00 -1.07 0.00 0.00 179.97 179.15 2g4r h ALA 15 N 0.95 1.15 -0.09 0.04 0.00 -1.74 -2.35 119.26 117.23 2g4r h ALA 15 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2g4r h ALA 15 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2g4r h ALA 15 CO -0.01 0.55 -0.29 0.00 0.00 0.00 0.00 179.25 179.51 2g4r h ALA 16 N 1.30 1.35 0.00 0.00 0.00 -0.67 -0.53 119.26 120.71 2g4r h ALA 16 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2g4r h ALA 16 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2g4r h ALA 16 CO 0.01 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.72 2g4r n ALA 17 N -2.48 2.50 -1.41 0.00 0.00 -0.83 -4.90 120.51 113.39 2g4r n ALA 17 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2g4r n ALA 17 Cb 0.37 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2g4r n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g4r n GLY 18 N 0.96 0.53 0.21 0.00 0.00 -0.21 -4.92 105.19 101.76 2g4r n GLY 18 Ca 0.18 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.41 2g4r n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g4r n VAL 19 N -3.24 1.60 -3.70 1.61 0.24 -0.92 -5.03 118.33 108.90 2g4r n VAL 19 Ca -0.04 -1.72 -0.14 0.00 -2.04 0.00 0.00 64.34 60.40 2g4r n VAL 19 Cb 0.25 0.05 -0.07 0.00 -1.47 0.00 0.00 33.84 32.59 2g4r n VAL 19 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2g4r s TYR 20 N -2.14 -0.26 0.24 6.34 5.04 -1.21 -4.85 117.35 120.51 2g4r s TYR 20 Ca 0.23 0.33 -0.30 0.00 -2.44 0.00 0.00 57.07 54.90 2g4r s TYR 20 Cb 0.19 0.18 -0.09 0.00 0.35 0.00 0.00 41.96 42.59 2g4r s TYR 20 CO 0.04 -0.49 1.22 0.95 -1.34 0.00 0.00 175.55 175.92 2g4r s THR 21 N -1.85 3.30 -0.53 4.34 -4.23 -1.26 -4.44 115.64 110.97 2g4r s THR 21 Ca -0.09 1.18 -0.14 0.00 -1.18 0.00 0.00 61.69 61.46 2g4r s THR 21 Cb -0.02 -3.75 0.13 0.00 1.34 0.00 0.00 72.50 70.19 2g4r s THR 21 CO 0.02 0.23 0.46 -0.62 -0.54 0.00 0.00 174.62 174.17 2g4r s ASP 22 N -0.23 6.05 0.11 3.99 2.15 -1.26 -4.90 116.67 122.58 2g4r s ASP 22 Ca 0.50 -1.89 0.23 0.00 0.43 0.00 0.00 52.55 51.82 2g4r s ASP 22 Cb -0.35 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2g4r s ASP 22 CO 0.41 -0.79 1.00 -0.90 -0.17 0.00 0.00 175.17 174.72 2g4r n ASP 23 N 5.05 0.63 0.01 -0.34 5.68 -1.26 -4.45 116.55 121.87 2g4r n ASP 23 Ca -0.10 0.06 -0.18 0.00 -0.50 0.00 0.00 54.79 54.07 2g4r n ASP 23 Cb 0.41 0.75 -0.12 0.00 -1.14 0.00 0.00 41.12 41.02 2g4r n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2g4r h GLY 25 N -0.17 0.13 0.76 0.00 0.00 -1.98 -2.18 103.07 99.62 2g4r h GLY 25 Ca -0.08 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.57 2g4r h GLY 25 CO 0.12 -0.19 0.59 -2.55 0.00 0.00 0.00 176.54 174.51 2g4r h PRO 26 N -0.11 0.96 -0.30 4.80 0.11 -1.79 -0.16 132.00 135.51 2g4r h PRO 26 Ca 0.20 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.28 2g4r h PRO 26 Cb 0.42 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 2g4r h PRO 26 CO -0.48 0.64 0.12 0.82 -0.21 0.00 0.00 178.00 178.89 2g4r h ILE 27 N 0.99 0.95 -0.53 4.15 2.04 -1.51 -1.39 117.51 122.20 2g4r h ILE 27 Ca 0.41 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 66.12 2g4r h ILE 27 Cb 0.30 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2g4r h ILE 27 CO -0.17 0.05 0.09 0.40 0.00 0.00 0.00 178.15 178.52 2g4r h ILE 28 N 0.27 1.25 -0.91 -0.67 2.04 -0.92 -1.92 117.51 116.66 2g4r h ILE 28 Ca 0.13 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.06 2g4r h ILE 28 Cb 0.08 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2g4r h ILE 28 CO -0.12 0.34 0.59 0.00 0.00 0.00 0.00 178.15 178.96 2g4r h ALA 29 N 0.99 1.33 -0.22 1.87 0.00 -0.76 -0.27 119.26 122.19 2g4r h ALA 29 Ca 0.16 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2g4r h ALA 29 Cb 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2g4r h ALA 29 CO 0.01 0.61 -0.39 0.78 0.00 0.00 0.00 179.25 180.26 2g4r h GLY 30 N 1.24 0.72 1.03 0.00 0.00 -1.06 -2.62 103.07 102.37 2g4r h GLY 30 Ca 0.33 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2g4r h GLY 30 CO -0.07 0.75 0.30 -0.25 0.00 0.00 0.00 176.54 177.27 2g4r h TRP 31 N 0.36 1.10 -0.62 5.60 7.01 -1.04 -2.37 115.95 125.99 2g4r h TRP 31 Ca 0.01 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 2g4r h TRP 31 Cb 0.99 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.69 2g4r h TRP 31 CO 0.09 0.84 0.38 -0.07 -2.79 0.00 0.00 178.44 176.88 2g4r h LEU 32 N 1.04 0.73 -0.94 0.65 3.38 -0.99 -2.07 115.31 117.10 2g4r h LEU 32 Ca 0.24 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2g4r h LEU 32 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2g4r h LEU 32 CO -0.02 0.56 -0.11 -0.08 0.09 0.00 0.00 178.44 178.88 2g4r h GLU 33 N 0.85 0.65 0.00 1.13 4.81 -1.07 -1.48 114.58 119.47 2g4r h GLU 33 Ca 0.22 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2g4r h GLU 33 Cb -0.05 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2g4r h GLU 33 CO -0.04 0.75 0.00 1.96 -0.73 0.00 0.00 179.01 180.94 2g4r h GLN 34 N 0.60 0.00 -0.07 1.92 4.20 -0.89 -3.28 115.11 117.60 2g4r h GLN 34 Ca 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2g4r h GLN 34 Cb 0.54 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2g4r h GLN 34 CO 0.03 0.00 -0.37 0.72 -0.67 0.00 0.00 178.83 178.55 2g4r n HIS 35 N -2.40 0.21 -0.52 2.96 8.25 -0.74 -4.97 115.22 118.02 2g4r n HIS 35 Ca 0.02 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.02 2g4r n HIS 35 Cb 0.27 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2g4r n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2g4r n GLY 36 N -1.14 0.74 3.37 -1.41 0.00 -1.14 -4.77 105.19 100.84 2g4r n GLY 36 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 2g4r n GLY 36 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2g4r n PHE 37 N -2.48 -2.52 0.00 1.61 3.01 -0.64 -4.07 117.46 112.38 2g4r n PHE 37 Ca 0.00 -1.77 0.00 0.00 1.01 0.00 0.00 57.45 56.69 2g4r n PHE 37 Cb 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 2g4r n PHE 37 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2g4r n SER 38 N -2.53 0.00 -4.69 4.37 3.41 -1.26 -4.33 113.62 108.58 2g4r n SER 38 Ca 0.14 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.39 2g4r n SER 38 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 2g4r n SER 38 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2g4r s SER 39 N 0.00 6.23 -0.11 4.04 1.04 -1.26 -4.97 113.70 118.67 2g4r s SER 39 Ca 0.00 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 2g4r s SER 39 Cb 0.00 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.96 2g4r s SER 39 CO 0.00 0.09 0.02 -0.69 0.98 0.00 0.00 173.24 173.64 2g4r s VAL 40 N 0.79 4.47 -0.11 5.02 1.01 -1.26 -5.10 120.40 125.22 2g4r s VAL 40 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2g4r s VAL 40 Cb -0.13 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2g4r s VAL 40 CO 0.03 0.57 0.03 -1.10 0.00 0.00 0.00 175.10 174.63 2g4r s GLN 41 N -0.56 3.24 0.32 2.72 -1.52 -1.26 -4.71 119.66 117.88 2g4r s GLN 41 Ca 0.10 -0.36 -0.29 0.00 -1.95 0.00 0.00 55.36 52.85 2g4r s GLN 41 Cb -0.12 -2.92 -0.12 0.00 -0.22 0.00 0.00 33.01 29.63 2g4r s GLN 41 CO 0.02 0.62 1.46 -2.30 -0.25 0.00 0.00 175.29 174.85 2g4r n PRO 42 N 2.40 2.45 -3.54 2.91 -0.02 -1.26 -4.56 135.00 133.38 2g4r n PRO 42 Ca -0.18 0.87 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 2g4r n PRO 42 Cb 0.54 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 2g4r n PRO 42 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2g4r s GLN 43 N -1.28 4.06 -0.20 -0.52 -0.21 0.15 -4.98 119.66 116.69 2g4r s GLN 43 Ca 0.59 -0.13 -0.06 0.00 0.02 0.00 0.00 55.36 55.78 2g4r s GLN 43 Cb -0.53 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 29.87 2g4r s GLN 43 CO 0.56 -0.06 0.03 0.08 -2.12 0.00 0.00 175.29 173.78 2g4r s VAL 44 N 1.42 4.32 0.09 1.09 1.01 -1.26 -0.12 120.40 126.94 2g4r s VAL 44 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2g4r s VAL 44 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2g4r s VAL 44 CO 0.07 0.43 -0.06 0.68 0.00 0.00 0.00 175.10 176.22 2g4r s VAL 45 N 0.82 0.63 0.76 2.92 -7.23 0.58 -4.70 120.40 114.17 2g4r s VAL 45 Ca 0.02 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 2g4r s VAL 45 Cb -0.14 -1.50 0.05 0.00 0.56 0.00 0.00 36.38 35.35 2g4r s VAL 45 CO 0.02 -0.81 1.08 0.00 -0.31 0.00 0.00 175.10 175.08 2g4r s ALA 46 N -3.30 2.37 0.57 1.32 0.00 -1.26 -0.25 121.76 121.21 2g4r s ALA 46 Ca 0.08 0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 2g4r s ALA 46 Cb 0.03 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2g4r s ALA 46 CO -0.04 -1.58 1.28 -0.51 0.00 0.00 0.00 175.76 174.91 2g4r s ASP 47 N -3.69 5.24 0.00 0.00 1.01 -1.26 -3.83 116.67 114.13 2g4r s ASP 47 Ca 0.60 2.58 0.00 0.00 0.71 0.00 0.00 52.55 56.44 2g4r s ASP 47 Cb -0.15 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2g4r s ASP 47 CO 0.55 -1.57 0.00 0.61 0.21 0.00 0.00 175.17 174.97 2g4r n GLY 48 N 0.67 0.67 0.33 0.21 0.00 -1.26 -4.51 105.19 101.29 2g4r n GLY 48 Ca 0.12 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.56 2g4r n GLY 48 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2g4r h ASN 49 N 0.00 0.53 -0.26 1.61 2.35 -1.99 0.11 115.58 117.94 2g4r h ASN 49 Ca 0.00 0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.96 2g4r h ASN 49 Cb 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2g4r h ASN 49 CO 0.00 0.10 0.27 -0.65 -1.65 0.00 0.00 177.43 175.50 2g4r h PRO 50 N 0.54 0.00 0.23 0.81 0.11 -1.79 -0.26 132.00 131.64 2g4r h PRO 50 Ca 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.67 2g4r h PRO 50 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2g4r h PRO 50 CO -0.47 0.00 -0.11 0.28 -0.21 0.00 0.00 178.00 177.49 2g4r h VAL 51 N 0.00 0.81 -0.56 3.15 2.07 -0.87 -0.76 116.25 120.09 2g4r h VAL 51 Ca 0.12 -0.74 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2g4r h VAL 51 Cb 0.66 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.55 2g4r h VAL 51 CO -0.00 0.15 -0.03 1.23 0.02 0.00 0.00 177.57 178.94 2g4r h GLY 52 N -0.72 0.54 0.87 2.17 0.00 -1.30 -1.01 103.07 103.63 2g4r h GLY 52 Ca -0.03 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.41 2g4r h GLY 52 CO 0.05 -0.18 0.01 -2.09 0.00 0.00 0.00 176.54 174.33 2g4r h GLU 53 N 0.09 0.05 -0.91 4.80 4.81 -1.07 -0.34 114.58 122.00 2g4r h GLU 53 Ca 0.28 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2g4r h GLU 53 Cb 0.44 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2g4r h GLU 53 CO -0.50 0.03 0.51 0.00 -0.73 0.00 0.00 179.01 178.33 2g4r h ALA 54 N 1.08 1.16 -0.11 2.92 0.00 -0.81 -2.11 119.26 121.40 2g4r h ALA 54 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2g4r h ALA 54 Cb 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2g4r h ALA 54 CO -0.07 0.66 -0.14 -0.07 0.00 0.00 0.00 179.25 179.63 2g4r h LEU 55 N 1.27 0.31 -0.53 0.00 3.38 -0.97 -1.01 115.31 117.76 2g4r h LEU 55 Ca 0.32 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2g4r h LEU 55 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2g4r h LEU 55 CO -0.05 0.75 0.32 0.45 0.09 0.00 0.00 178.44 180.00 2g4r h HIS 56 N -0.13 0.60 -0.71 1.13 3.86 -1.04 -0.51 115.15 118.34 2g4r h HIS 56 Ca 0.01 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2g4r h HIS 56 Cb 0.68 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 2g4r h HIS 56 CO 0.09 0.34 0.47 -0.44 0.86 0.00 0.00 177.93 179.26 2g4r h ASP 57 N 0.63 0.80 0.45 2.45 3.32 -1.29 -0.39 116.42 122.39 2g4r h ASP 57 Ca 0.21 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.98 2g4r h ASP 57 Cb 0.01 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.37 2g4r h ASP 57 CO -0.09 0.57 -1.15 0.00 -1.72 0.00 0.00 179.24 176.85 2g4r h ALA 58 N 1.56 0.16 -0.52 3.45 0.00 -0.14 -1.79 119.26 121.98 2g4r h ALA 58 Ca 0.26 -0.81 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 2g4r h ALA 58 Cb -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2g4r h ALA 58 CO -0.06 0.87 -0.04 0.28 0.00 0.00 0.00 179.25 180.30 2g4r h VAL 59 N 0.15 1.27 0.00 0.00 2.07 -0.89 -2.62 116.25 116.23 2g4r h VAL 59 Ca -0.13 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 2g4r h VAL 59 Cb 1.84 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2g4r h VAL 59 CO 0.20 0.41 -0.26 0.78 0.02 0.00 0.00 177.57 178.72 2g4r h ASN 60 N 0.82 0.00 0.64 0.57 4.21 -1.02 0.74 115.58 121.54 2g4r h ASN 60 Ca 0.14 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.65 2g4r h ASN 60 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 2g4r h ASN 60 CO 0.03 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 176.43 2g4r h ALA 61 N 1.74 1.00 -1.48 -0.83 0.00 -0.95 -3.48 119.26 115.26 2g4r h ALA 61 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2g4r h ALA 61 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2g4r h ALA 61 CO 0.03 0.00 -0.24 0.41 0.00 0.00 0.00 179.25 179.45 2g4r n GLY 62 N -0.25 0.02 3.76 0.00 0.00 0.25 -5.01 105.19 103.96 2g4r n GLY 62 Ca 0.01 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2g4r n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g4r s VAL 63 N -2.52 2.63 0.21 1.61 0.11 -1.20 -4.95 120.40 116.30 2g4r s VAL 63 Ca 0.03 0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 2g4r s VAL 63 Cb -0.01 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.64 2g4r s VAL 63 CO 0.03 -0.07 1.56 0.44 -3.33 0.00 0.00 175.10 173.73 2g4r h ASP 64 N 1.11 0.55 -3.56 3.54 3.32 -1.66 -3.38 116.42 116.35 2g4r h ASP 64 Ca -0.50 -0.27 -0.18 0.00 0.02 0.00 0.00 57.03 56.10 2g4r h ASP 64 Cb 1.29 -0.16 -0.28 0.00 0.22 0.00 0.00 39.33 40.41 2g4r h ASP 64 CO 0.56 0.95 -0.44 -0.69 -1.72 0.00 0.00 179.24 177.89 2g4r s VAL 65 N -4.09 -0.02 -0.13 -1.35 1.01 -0.96 -1.23 120.40 113.63 2g4r s VAL 65 Ca -0.07 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2g4r s VAL 65 Cb 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2g4r s VAL 65 CO 0.82 0.03 -0.21 -0.63 0.00 0.00 0.00 175.10 175.11 2g4r s ILE 66 N 0.76 2.19 -0.22 2.22 1.01 0.13 -1.43 121.20 125.86 2g4r s ILE 66 Ca -0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 2g4r s ILE 66 Cb -0.06 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 2g4r s ILE 66 CO -0.05 0.55 -0.04 -0.63 0.00 0.00 0.00 174.94 174.77 2g4r s ILE 67 N 0.65 3.39 0.09 2.92 1.01 -0.32 -0.55 121.20 128.40 2g4r s ILE 67 Ca -0.11 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2g4r s ILE 67 Cb -0.16 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2g4r s ILE 67 CO 0.02 0.42 0.01 0.42 0.00 0.00 0.00 174.94 175.81 2g4r s THR 68 N 1.48 4.10 -0.05 2.92 -4.23 0.05 -1.31 115.64 118.60 2g4r s THR 68 Ca 0.06 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2g4r s THR 68 Cb -0.14 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.77 2g4r s THR 68 CO -0.03 0.13 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.59 2g4r s SER 69 N -2.29 1.12 0.00 3.99 0.15 -0.54 0.10 113.70 116.23 2g4r s SER 69 Ca 0.26 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2g4r s SER 69 Cb -0.12 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2g4r s SER 69 CO 0.19 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2g4r n GLY 70 N 4.32 1.11 2.14 9.45 0.00 -0.78 -0.49 105.19 120.94 2g4r n GLY 70 Ca -0.21 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 2g4r n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g4r n GLY 71 N 1.46 0.56 0.43 -0.02 0.00 -1.26 -4.68 105.19 101.67 2g4r n GLY 71 Ca 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.62 2g4r n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2g4r n THR 72 N -2.86 0.00 -0.02 2.61 -2.24 -1.26 -1.59 114.28 108.93 2g4r n THR 72 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2g4r n THR 72 Cb 0.11 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2g4r n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g4r n GLY 73 N 1.37 -0.15 0.41 3.38 0.00 -1.26 0.37 105.19 109.30 2g4r n GLY 73 Ca 0.08 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.61 2g4r n GLY 73 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2g4r n ILE 74 N 0.00 2.06 -1.48 -0.61 -5.35 -1.26 -4.71 119.36 108.00 2g4r n ILE 74 Ca 0.00 -2.16 -0.30 0.00 -0.27 0.00 0.00 62.75 60.02 2g4r n ILE 74 Cb 0.00 -0.25 0.10 0.00 -1.74 0.00 0.00 39.64 37.75 2g4r n ILE 74 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2g4r s SER 75 N -2.53 4.33 0.23 7.28 1.04 -1.26 -4.94 113.70 117.86 2g4r s SER 75 Ca 0.36 1.36 -0.06 0.00 0.48 0.00 0.00 55.95 58.09 2g4r s SER 75 Cb 0.31 -2.09 0.36 0.00 0.10 0.00 0.00 66.02 64.70 2g4r s SER 75 CO 0.05 -2.08 1.79 -0.65 0.98 0.00 0.00 173.24 173.33 2g4r h PRO 76 N -1.16 0.64 -0.03 4.02 0.11 -2.03 -2.65 132.00 130.89 2g4r h PRO 76 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2g4r h PRO 76 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2g4r h PRO 76 CO 0.58 0.42 0.00 0.25 -0.21 0.00 0.00 178.00 179.04 2g4r n THR 77 N -4.83 0.02 -2.62 -1.15 -2.24 -1.26 -4.79 114.28 97.41 2g4r n THR 77 Ca 0.12 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 2g4r n THR 77 Cb 0.28 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 2g4r n THR 77 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2g4r s ASP 78 N -1.95 6.20 -0.08 3.42 1.01 -1.00 -4.69 116.67 119.57 2g4r s ASP 78 Ca 0.39 -0.66 0.12 0.00 0.71 0.00 0.00 52.55 53.11 2g4r s ASP 78 Cb 0.21 -2.53 0.18 0.00 1.01 0.00 0.00 42.92 41.79 2g4r s ASP 78 CO 0.33 -1.72 1.07 0.35 0.21 0.00 0.00 175.17 175.41 2g4r n THR 79 N 6.31 1.36 -0.16 -1.27 -2.24 -1.10 -4.81 114.28 112.37 2g4r n THR 79 Ca 0.04 -1.60 -0.04 0.00 -2.27 0.00 0.00 64.05 60.18 2g4r n THR 79 Cb 0.48 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.82 2g4r n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2g4r h THR 80 N 1.22 0.89 -0.70 4.28 2.02 -1.59 -2.28 112.91 116.75 2g4r h THR 80 Ca 0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2g4r h THR 80 Cb 0.98 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2g4r h THR 80 CO 0.00 0.07 0.42 -0.65 0.37 0.00 0.00 175.52 175.74 2g4r h PRO 81 N 0.41 0.95 0.16 6.66 0.11 -1.85 -0.64 132.00 137.80 2g4r h PRO 81 Ca 0.22 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 2g4r h PRO 81 Cb 0.19 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 2g4r h PRO 81 CO -0.20 0.67 -0.10 0.93 -0.21 0.00 0.00 178.00 179.09 2g4r h GLU 82 N 0.95 -0.25 -0.40 1.05 3.07 -1.87 0.50 114.58 117.63 2g4r h GLU 82 Ca 0.25 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2g4r h GLU 82 Cb -0.04 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2g4r h GLU 82 CO -0.05 -0.17 0.25 0.45 -1.40 0.00 0.00 179.01 178.10 2g4r h HIS 83 N -0.26 0.51 0.08 4.33 3.86 -1.16 -1.79 115.15 120.72 2g4r h HIS 83 Ca -0.01 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2g4r h HIS 83 Cb 0.22 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2g4r h HIS 83 CO -0.09 0.34 -0.04 1.15 0.86 0.00 0.00 177.93 180.15 2g4r h THR 84 N 0.55 1.19 -0.97 2.45 2.02 -0.81 -2.99 112.91 114.34 2g4r h THR 84 Ca 0.15 -1.10 0.13 0.00 0.77 0.00 0.00 66.41 66.36 2g4r h THR 84 Cb -0.04 1.88 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 2g4r h THR 84 CO -0.03 0.26 0.62 0.58 0.37 0.00 0.00 175.52 177.32 2g4r h VAL 85 N -0.62 0.90 -0.92 3.16 2.07 -0.83 -0.31 116.25 119.70 2g4r h VAL 85 Ca -0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2g4r h VAL 85 Cb 0.51 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2g4r h VAL 85 CO 0.02 0.17 0.53 0.00 0.02 0.00 0.00 177.57 178.31 2g4r h ALA 86 N 1.56 1.18 0.00 1.67 0.00 -1.28 -2.68 119.26 119.71 2g4r h ALA 86 Ca 0.48 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 2g4r h ALA 86 Cb 0.54 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2g4r h ALA 86 CO -0.25 0.66 -0.87 0.28 0.00 0.00 0.00 179.25 179.07 2g4r h VAL 87 N 1.28 1.59 -4.00 0.00 2.07 -1.22 -3.47 116.25 112.50 2g4r h VAL 87 Ca 0.33 -2.88 -0.51 0.00 0.82 0.00 0.00 66.70 64.46 2g4r h VAL 87 Cb -0.02 2.57 0.07 0.00 -1.52 0.00 0.00 31.29 32.39 2g4r h VAL 87 CO -0.06 0.83 0.50 -0.76 0.02 0.00 0.00 177.57 178.10 2g4r s LEU 88 N -7.13 4.03 0.01 2.57 1.43 -0.20 -4.77 118.68 114.63 2g4r s LEU 88 Ca -0.01 2.36 -0.21 0.00 -1.03 0.00 0.00 54.13 55.24 2g4r s LEU 88 Cb 0.11 -4.21 -0.19 0.00 0.03 0.00 0.00 46.19 41.93 2g4r s LEU 88 CO 0.81 -0.93 1.20 0.44 0.23 0.00 0.00 176.35 178.09 2g4r h ASP 89 N 2.09 0.42 -5.10 2.29 3.32 -0.74 -3.48 116.42 115.22 2g4r h ASP 89 Ca -0.49 -0.64 -0.02 0.00 0.02 0.00 0.00 57.03 55.90 2g4r h ASP 89 Cb 1.25 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.58 2g4r h ASP 89 CO 0.60 0.99 0.02 -0.72 -1.72 0.00 0.00 179.24 178.41 2g4r s TYR 90 N -3.69 -0.04 0.26 4.55 -0.85 -1.03 -5.04 117.35 111.51 2g4r s TYR 90 Ca -0.14 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.10 2g4r s TYR 90 Cb 0.04 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 2g4r s TYR 90 CO 0.78 -0.96 0.44 0.14 -1.52 0.00 0.00 175.55 174.43 2g4r s VAL 91 N -3.90 5.18 -0.58 -3.49 -7.23 -1.26 -1.92 120.40 107.20 2g4r s VAL 91 Ca 0.12 -0.51 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 2g4r s VAL 91 Cb -0.01 -3.80 0.14 0.00 0.56 0.00 0.00 36.38 33.27 2g4r s VAL 91 CO 0.00 -0.34 0.34 -0.63 -0.31 0.00 0.00 175.10 174.16 2g4r s ILE 92 N -2.05 2.89 0.24 -0.62 1.01 0.36 -4.90 121.20 118.14 2g4r s ILE 92 Ca 0.38 -3.41 -0.05 0.00 0.00 0.00 0.00 60.65 57.57 2g4r s ILE 92 Cb -0.10 -2.95 0.19 0.00 0.01 0.00 0.00 42.46 39.60 2g4r s ILE 92 CO 0.31 -0.85 1.84 1.55 0.00 0.00 0.00 174.94 177.79 2g4r h PRO 93 N 6.43 1.13 -0.32 2.79 0.13 -1.98 -2.90 132.00 137.28 2g4r h PRO 93 Ca -0.03 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 2g4r h PRO 93 Cb 0.88 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2g4r h PRO 93 CO 0.70 0.88 0.03 0.78 -0.23 0.00 0.00 178.00 180.16 2g4r h GLY 94 N 1.15 0.51 0.65 1.56 0.00 -1.98 -1.08 103.07 103.88 2g4r h GLY 94 Ca 0.27 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 2g4r h GLY 94 CO -0.03 0.26 -0.26 -2.00 0.00 0.00 0.00 176.54 174.51 2g4r h LEU 95 N 0.47 0.35 -0.56 3.11 5.85 -1.93 -1.06 115.31 121.53 2g4r h LEU 95 Ca 0.11 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.23 2g4r h LEU 95 Cb 0.26 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2g4r h LEU 95 CO 0.00 0.92 0.32 0.00 -0.34 0.00 0.00 178.44 179.34 2g4r h ALA 96 N 0.44 0.73 -0.19 1.25 0.00 -1.36 -0.63 119.26 119.49 2g4r h ALA 96 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2g4r h ALA 96 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2g4r h ALA 96 CO 0.05 0.02 0.12 -0.44 0.00 0.00 0.00 179.25 179.00 2g4r h ASP 97 N 0.63 0.22 -0.57 0.00 3.32 -1.19 -1.33 116.42 117.50 2g4r h ASP 97 Ca 0.24 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2g4r h ASP 97 Cb 0.07 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2g4r h ASP 97 CO -0.12 0.19 0.24 0.00 -1.72 0.00 0.00 179.24 177.83 2g4r h ALA 98 N 1.04 0.75 -0.57 3.45 0.00 -0.92 0.93 119.26 123.93 2g4r h ALA 98 Ca 0.07 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2g4r h ALA 98 Cb 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2g4r h ALA 98 CO -0.01 0.35 0.28 0.82 0.00 0.00 0.00 179.25 180.69 2g4r h ILE 99 N 0.79 0.92 -0.30 0.00 2.04 -0.92 -0.42 117.51 119.62 2g4r h ILE 99 Ca 0.19 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2g4r h ILE 99 Cb 0.19 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2g4r h ILE 99 CO -0.02 0.10 0.12 0.03 0.00 0.00 0.00 178.15 178.38 2g4r h ARG 100 N 0.52 0.26 0.00 2.37 3.08 -0.49 -2.80 114.38 117.31 2g4r h ARG 100 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2g4r h ARG 100 Cb 0.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2g4r h ARG 100 CO -0.20 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 178.87 2g4r h ARG 101 N 0.26 0.00 -0.55 0.04 3.08 -0.46 -3.11 114.38 113.64 2g4r h ARG 101 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2g4r h ARG 101 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2g4r h ARG 101 CO -0.12 0.00 0.16 0.66 -1.07 0.00 0.00 179.97 179.60 2g4r h SER 102 N 0.00 0.78 -0.16 7.04 4.64 -0.80 -2.78 113.55 122.26 2g4r h SER 102 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2g4r h SER 102 Cb 0.48 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2g4r h SER 102 CO 0.00 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 2g4r n GLY 103 N -0.90 1.03 0.15 -0.77 0.00 -1.18 -4.60 105.19 98.92 2g4r n GLY 103 Ca 0.04 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 2g4r n GLY 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2g4r h LEU 104 N 4.04 -0.24 0.00 0.99 5.85 -1.58 -0.04 115.31 124.33 2g4r h LEU 104 Ca 0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2g4r h LEU 104 Cb 0.87 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2g4r h LEU 104 CO 0.00 0.17 0.00 -2.65 -0.34 0.00 0.00 178.44 175.62 2g4r n PRO 105 N -5.04 0.00 0.00 5.25 -0.01 -1.26 -0.37 135.00 133.57 2g4r n PRO 105 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.40 2g4r n PRO 105 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.74 2g4r n PRO 105 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 2g4r n LYS 106 N -2.33 0.00 -3.65 -0.52 3.00 -1.26 -4.91 118.16 108.49 2g4r n LYS 106 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 2g4r n LYS 106 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 2g4r n LYS 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2g4r s VAL 107 N 0.00 4.10 0.56 3.15 1.01 0.51 -4.96 120.40 124.76 2g4r s VAL 107 Ca 0.00 -3.04 0.26 0.00 0.00 0.00 0.00 61.98 59.21 2g4r s VAL 107 Cb 0.00 -3.62 0.37 0.00 0.00 0.00 0.00 36.38 33.13 2g4r s VAL 107 CO 0.00 -0.93 2.03 -0.65 0.00 0.00 0.00 175.10 175.55 2g4r h PRO 108 N 6.97 0.00 0.00 2.72 0.11 -1.82 -0.24 132.00 139.75 2g4r h PRO 108 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2g4r h PRO 108 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2g4r h PRO 108 CO 0.74 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.78 2g4r n THR 109 N -4.07 0.14 -0.33 -1.15 -2.24 -1.26 -3.34 114.28 102.03 2g4r n THR 109 Ca 0.05 0.04 0.21 0.00 -2.27 0.00 0.00 64.05 62.08 2g4r n THR 109 Cb 0.47 -0.65 0.41 0.00 -2.10 0.00 0.00 70.33 68.47 2g4r n THR 109 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2g4r h SER 110 N 0.00 0.00 0.00 3.42 0.02 -1.37 -0.87 113.55 114.76 2g4r h SER 110 Ca 0.00 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2g4r h SER 110 Cb 0.12 0.33 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2g4r h SER 110 CO 0.00 -0.32 0.23 -0.37 -1.14 0.00 0.00 176.83 175.23 2g4r h VAL 111 N 0.08 0.00 0.00 2.27 -1.51 -1.81 -1.82 116.25 113.47 2g4r h VAL 111 Ca 0.69 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.16 2g4r h VAL 111 Cb 1.61 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2g4r h VAL 111 CO -0.78 0.00 -0.62 0.18 -1.23 0.00 0.00 177.57 175.12 2g4r n LEU 112 N -2.26 0.59 -4.70 4.19 4.77 -0.33 -4.86 117.00 114.40 2g4r n LEU 112 Ca -0.01 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 2g4r n LEU 112 Cb 0.26 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2g4r n LEU 112 CO 0.08 0.13 0.91 -0.55 -1.33 0.00 0.00 177.39 176.63 2g4r s SER 113 N -3.12 7.07 -0.26 -1.43 0.15 -0.69 -4.33 113.70 111.09 2g4r s SER 113 Ca 0.10 1.95 0.12 0.00 0.70 0.00 0.00 55.95 58.81 2g4r s SER 113 Cb 0.17 -2.57 0.77 0.00 -1.71 0.00 0.00 66.02 62.68 2g4r s SER 113 CO 0.73 -0.51 1.73 0.54 1.20 0.00 0.00 173.24 176.94 2g4r n ARG 114 N 4.37 4.40 -1.73 5.44 1.74 0.16 -4.99 116.66 126.06 2g4r n ARG 114 Ca 0.10 -3.02 -0.40 0.00 -0.77 0.00 0.00 57.85 53.76 2g4r n ARG 114 Cb 0.46 -2.23 0.02 0.00 -1.02 0.00 0.00 32.46 29.70 2g4r n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g4r n GLY 115 N 0.36 0.70 3.64 -0.13 0.00 -1.26 -4.72 105.19 103.78 2g4r n GLY 115 Ca 0.31 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 2g4r n GLY 115 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g4r s VAL 116 N -1.24 2.42 0.11 1.61 -7.23 -1.26 -4.88 120.40 109.93 2g4r s VAL 116 Ca 0.65 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 2g4r s VAL 116 Cb -0.46 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 2g4r s VAL 116 CO 0.55 -0.13 -0.10 0.00 -0.31 0.00 0.00 175.10 175.11 2g4r n GLY 118 N 0.34 0.64 3.33 0.00 0.00 -0.21 -0.49 105.19 108.80 2g4r n GLY 118 Ca -0.14 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 2g4r n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g4r s VAL 119 N -2.16 2.27 -0.16 1.61 1.01 -0.81 -0.85 120.40 121.32 2g4r s VAL 119 Ca 0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2g4r s VAL 119 Cb -0.00 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2g4r s VAL 119 CO -0.00 0.58 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 2g4r s ALA 120 N -0.47 1.33 0.00 5.51 0.00 -0.43 -0.01 121.76 127.69 2g4r s ALA 120 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2g4r s ALA 120 Cb -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2g4r s ALA 120 CO 0.01 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2g4r n GLY 121 N 4.93 2.92 0.36 0.00 0.00 -1.26 -1.09 105.19 111.04 2g4r n GLY 121 Ca -0.11 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2g4r n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g4r n ARG 122 N 7.44 1.59 -4.02 1.61 1.74 -1.26 -5.01 116.66 118.75 2g4r n ARG 122 Ca 0.00 -2.81 -0.35 0.00 -0.77 0.00 0.00 57.85 53.92 2g4r n ARG 122 Cb 0.00 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 29.75 2g4r n ARG 122 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2g4r s THR 123 N -2.98 4.72 -0.13 0.55 2.01 -0.25 -4.73 115.64 114.83 2g4r s THR 123 Ca 0.35 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 2g4r s THR 123 Cb 0.32 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 2g4r s THR 123 CO 0.01 0.46 0.48 -0.22 -0.69 0.00 0.00 174.62 174.66 2g4r s LEU 124 N 0.42 4.26 -0.10 4.42 2.96 -0.37 -1.31 118.68 128.96 2g4r s LEU 124 Ca 0.03 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 2g4r s LEU 124 Cb -0.13 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2g4r s LEU 124 CO 0.01 -0.02 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.20 2g4r s ILE 125 N 0.73 2.56 -0.19 6.68 1.01 -0.03 0.18 121.20 132.15 2g4r s ILE 125 Ca 0.25 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2g4r s ILE 125 Cb -0.15 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.33 2g4r s ILE 125 CO 0.10 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 174.83 2g4r s ILE 126 N 0.21 1.76 -0.14 2.92 -1.09 0.29 -1.04 121.20 124.10 2g4r s ILE 126 Ca -0.12 -0.99 -0.21 0.00 -2.23 0.00 0.00 60.65 57.11 2g4r s ILE 126 Cb -0.16 -1.75 -0.03 0.00 -1.58 0.00 0.00 42.46 38.93 2g4r s ILE 126 CO 0.06 0.27 0.60 0.20 -1.23 0.00 0.00 174.94 174.85 2g4r s ASN 127 N 1.37 6.77 0.22 3.58 0.01 -0.20 -0.77 114.94 125.92 2g4r s ASN 127 Ca 0.00 0.92 0.10 0.00 -0.71 0.00 0.00 52.86 53.17 2g4r s ASN 127 Cb -0.15 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 2g4r s ASN 127 CO -0.09 -0.15 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.49 2g4r s LEU 128 N 1.25 2.93 0.93 0.60 1.43 0.11 -4.68 118.68 121.25 2g4r s LEU 128 Ca 0.30 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2g4r s LEU 128 Cb -0.16 -1.54 0.15 0.00 0.03 0.00 0.00 46.19 44.67 2g4r s LEU 128 CO 0.12 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.70 2g4r s PRO 129 N -3.17 1.01 -0.67 1.29 0.04 -1.26 -1.87 135.00 130.38 2g4r s PRO 129 Ca 0.27 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 2g4r s PRO 129 Cb -0.07 -1.77 0.14 0.00 0.04 0.00 0.00 34.50 32.84 2g4r s PRO 129 CO 0.16 -2.44 2.53 0.41 0.04 0.00 0.00 177.00 177.70 2g4r n GLY 130 N -0.76 4.79 3.12 0.56 0.00 -1.26 -3.53 105.19 108.10 2g4r n GLY 130 Ca 0.07 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 2g4r n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g4r s SER 131 N -0.03 -0.18 0.22 1.61 1.04 -1.26 -4.89 113.70 110.21 2g4r s SER 131 Ca 0.56 0.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.21 2g4r s SER 131 Cb 0.36 0.40 0.33 0.00 0.10 0.00 0.00 66.02 67.21 2g4r s SER 131 CO -0.25 -0.16 1.76 1.55 0.98 0.00 0.00 173.24 177.12 2g4r h PRO 132 N 5.35 0.51 -0.52 4.02 0.13 -1.91 0.38 132.00 139.96 2g4r h PRO 132 Ca -0.27 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 2g4r h PRO 132 Cb 1.19 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2g4r h PRO 132 CO 0.38 0.34 -0.07 0.78 -0.23 0.00 0.00 178.00 179.19 2g4r h GLY 133 N 0.52 1.05 1.12 1.56 0.00 -1.98 -1.51 103.07 103.84 2g4r h GLY 133 Ca 0.34 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 2g4r h GLY 133 CO -0.29 0.76 0.28 -1.33 0.00 0.00 0.00 176.54 175.96 2g4r h GLY 134 N 0.84 1.20 0.91 4.60 0.00 -1.83 -1.36 103.07 107.42 2g4r h GLY 134 Ca 0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2g4r h GLY 134 CO 0.04 0.62 -0.05 -2.08 0.00 0.00 0.00 176.54 175.07 2g4r h VAL 135 N 1.08 0.96 -0.48 4.60 2.07 -0.82 -0.95 116.25 122.71 2g4r h VAL 135 Ca 0.25 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2g4r h VAL 135 Cb 0.23 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2g4r h VAL 135 CO -0.02 0.05 0.24 -0.09 0.02 0.00 0.00 177.57 177.77 2g4r h ARG 136 N -0.24 0.69 -0.35 1.57 2.43 -1.17 0.78 114.38 118.09 2g4r h ARG 136 Ca -0.01 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2g4r h ARG 136 Cb 0.19 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2g4r h ARG 136 CO 0.02 0.57 0.22 -0.44 -1.51 0.00 0.00 179.97 178.84 2g4r h ASP 137 N 0.63 0.38 -0.27 -3.80 3.32 -1.27 -1.91 116.42 113.50 2g4r h ASP 137 Ca 0.17 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 2g4r h ASP 137 Cb 0.11 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2g4r h ASP 137 CO -0.02 0.28 -0.19 1.23 -1.72 0.00 0.00 179.24 178.81 2g4r h GLY 138 N 0.46 0.80 1.86 2.75 0.00 -0.87 -2.38 103.07 105.69 2g4r h GLY 138 Ca 0.13 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2g4r h GLY 138 CO -0.04 0.60 -0.19 1.41 0.00 0.00 0.00 176.54 178.32 2g4r h LEU 139 N 0.65 0.16 -0.86 3.11 3.38 -0.74 -0.91 115.31 120.10 2g4r h LEU 139 Ca 0.10 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2g4r h LEU 139 Cb 0.68 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2g4r h LEU 139 CO 0.05 0.36 0.10 1.23 0.09 0.00 0.00 178.44 180.28 2g4r h GLY 140 N 0.79 1.02 0.76 0.83 0.00 -0.96 0.65 103.07 106.16 2g4r h GLY 140 Ca 0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 2g4r h GLY 140 CO 0.03 0.60 0.01 -2.08 0.00 0.00 0.00 176.54 175.10 2g4r h VAL 141 N 0.90 1.23 -0.53 4.60 2.07 -0.94 -3.08 116.25 120.50 2g4r h VAL 141 Ca 0.19 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2g4r h VAL 141 Cb 0.38 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2g4r h VAL 141 CO 0.01 0.19 0.35 0.25 0.02 0.00 0.00 177.57 178.39 2g4r h LEU 142 N -0.14 0.58 -1.61 2.57 5.85 -0.82 -2.42 115.31 119.31 2g4r h LEU 142 Ca 0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2g4r h LEU 142 Cb 0.30 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2g4r h LEU 142 CO 0.00 0.41 0.13 0.00 -0.34 0.00 0.00 178.44 178.64 2g4r h ALA 143 N 1.68 1.70 0.00 1.25 0.00 -0.78 0.54 119.26 123.64 2g4r h ALA 143 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2g4r h ALA 143 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2g4r h ALA 143 CO -0.05 0.24 -0.02 -0.44 0.00 0.00 0.00 179.25 178.99 2g4r h ASP 144 N 0.39 0.00 0.00 0.00 3.32 -1.45 -3.35 116.42 115.33 2g4r h ASP 144 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2g4r h ASP 144 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2g4r h ASP 144 CO -0.01 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 2g4r n VAL 145 N -3.14 0.00 -0.09 -1.35 0.24 -0.68 -4.90 118.33 108.41 2g4r n VAL 145 Ca -0.01 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.34 61.99 2g4r n VAL 145 Cb 0.23 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 2g4r n VAL 145 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2g4r h LEU 146 N 0.00 -0.21 -0.25 1.34 5.85 -1.06 0.73 115.31 121.71 2g4r h LEU 146 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2g4r h LEU 146 Cb 0.08 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2g4r h LEU 146 CO 0.00 -0.07 0.03 0.44 -0.34 0.00 0.00 178.44 178.50 2g4r h ASP 147 N 0.04 0.41 -0.20 1.25 3.32 -1.86 0.77 116.42 120.15 2g4r h ASP 147 Ca 0.15 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.95 2g4r h ASP 147 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2g4r h ASP 147 CO -0.29 0.58 0.07 -0.74 -1.72 0.00 0.00 179.24 177.14 2g4r h HIS 148 N 0.23 0.14 -0.54 4.55 2.76 -1.88 -0.87 115.15 119.52 2g4r h HIS 148 Ca 0.08 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2g4r h HIS 148 Cb 0.35 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 2g4r h HIS 148 CO 0.02 0.07 0.29 0.00 -1.30 0.00 0.00 177.93 177.01 2g4r h ALA 149 N 1.12 0.70 -0.45 5.26 0.00 -0.34 0.18 119.26 125.73 2g4r h ALA 149 Ca 0.08 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2g4r h ALA 149 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2g4r h ALA 149 CO -0.08 -0.05 -0.13 -0.07 0.00 0.00 0.00 179.25 178.92 2g4r h LEU 150 N 0.55 0.82 -0.15 0.00 3.38 -0.73 -1.63 115.31 117.56 2g4r h LEU 150 Ca 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2g4r h LEU 150 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2g4r h LEU 150 CO -0.16 0.96 0.10 -0.08 0.09 0.00 0.00 178.44 179.35 2g4r h GLU 151 N 0.74 0.20 -0.32 1.13 4.81 -0.65 -2.40 114.58 118.08 2g4r h GLU 151 Ca 0.12 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2g4r h GLU 151 Cb 0.63 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2g4r h GLU 151 CO 0.04 0.13 0.13 1.96 -0.73 0.00 0.00 179.01 180.54 2g4r h GLN 152 N 0.20 0.48 -0.70 1.92 1.08 -0.74 -2.53 115.11 114.83 2g4r h GLN 152 Ca 0.06 -0.09 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2g4r h GLN 152 Cb -0.02 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 2g4r h GLN 152 CO -0.02 0.48 0.46 0.82 -0.95 0.00 0.00 178.83 179.63 2g4r h ILE 153 N 0.37 0.99 -0.00 2.54 2.04 -1.27 -2.02 117.51 120.16 2g4r h ILE 153 Ca 0.11 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2g4r h ILE 153 Cb 0.18 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2g4r h ILE 153 CO -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 178.15 178.25 2g4r n ALA 154 N -2.46 2.51 -0.16 1.87 0.00 -0.91 -5.00 120.51 116.35 2g4r n ALA 154 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2g4r n ALA 154 Cb 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2g4r n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91