#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3guv s ILE 6 N 0.00 2.60 -0.08 -0.18 -1.09 -1.26 -4.78 121.20 116.41 3guv s ILE 6 Ca 0.00 0.40 -0.13 0.00 -2.23 0.00 0.00 60.65 58.69 3guv s ILE 6 Cb 0.00 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 3guv s ILE 6 CO 0.00 0.03 0.31 -0.54 -1.23 0.00 0.00 174.94 173.51 3guv s LYS 7 N 1.32 3.89 0.07 2.79 1.02 -1.26 -0.38 119.74 127.20 3guv s LYS 7 Ca 0.71 0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.90 3guv s LYS 7 Cb -0.44 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 3guv s LYS 7 CO 0.31 0.58 -0.07 0.14 -0.92 0.00 0.00 175.35 175.40 3guv s VAL 8 N -0.61 0.57 -0.00 3.17 -7.23 0.18 0.11 120.40 116.59 3guv s VAL 8 Ca 0.20 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3guv s VAL 8 Cb -0.14 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 3guv s VAL 8 CO 0.08 -0.67 0.10 -0.31 -0.31 0.00 0.00 175.10 174.00 3guv s TYR 9 N -2.64 3.33 -0.15 2.82 2.02 -0.69 -0.81 117.35 121.24 3guv s TYR 9 Ca 0.01 0.23 -0.09 0.00 -0.37 0.00 0.00 57.07 56.85 3guv s TYR 9 Cb -0.01 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 3guv s TYR 9 CO -0.03 0.57 0.17 -0.51 -1.57 0.00 0.00 175.55 174.18 3guv s LEU 10 N -1.78 4.32 -0.09 -1.29 1.02 -0.13 -1.14 118.68 119.59 3guv s LEU 10 Ca 0.24 0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.83 3guv s LEU 10 Cb -0.12 -2.14 0.01 0.00 0.02 0.00 0.00 46.19 43.96 3guv s LEU 10 CO 0.15 0.29 -0.15 -0.47 0.02 0.00 0.00 176.35 176.19 3guv s TYR 11 N -0.39 1.81 0.12 0.29 5.04 -0.09 -1.13 117.35 123.01 3guv s TYR 11 Ca 0.13 -0.77 0.03 0.00 -2.44 0.00 0.00 57.07 54.02 3guv s TYR 11 Cb -0.12 -1.31 -0.04 0.00 0.35 0.00 0.00 41.96 40.84 3guv s TYR 11 CO 0.02 -0.39 -0.09 0.95 -1.34 0.00 0.00 175.55 174.70 3guv s THR 12 N 0.81 0.96 0.19 4.34 -4.23 -0.51 -4.36 115.64 112.84 3guv s THR 12 Ca -0.11 -1.86 -0.24 0.00 -1.18 0.00 0.00 61.69 58.30 3guv s THR 12 Cb -0.16 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.12 3guv s THR 12 CO 0.02 -0.71 0.82 0.00 -0.54 0.00 0.00 174.62 174.21 3guv s ARG 13 N -3.39 1.40 0.25 3.99 1.70 -1.26 -1.57 118.95 120.08 3guv s ARG 13 Ca 0.11 -0.74 0.08 0.00 -0.47 0.00 0.00 55.73 54.71 3guv s ARG 13 Cb 0.01 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 3guv s ARG 13 CO -0.01 -0.64 0.12 0.14 -1.08 0.00 0.00 175.30 173.83 3guv s VAL 14 N -3.57 4.07 -0.06 4.99 -7.23 -0.96 -4.98 120.40 112.66 3guv s VAL 14 Ca 0.10 -1.58 -0.16 0.00 -1.81 0.00 0.00 61.98 58.53 3guv s VAL 14 Cb -0.03 -3.19 -0.30 0.00 0.56 0.00 0.00 36.38 33.42 3guv s VAL 14 CO 0.01 -0.35 0.69 0.28 -0.31 0.00 0.00 175.10 175.43 3guv h SER 15 N 1.68 0.51 0.00 4.85 0.02 -1.91 -3.42 113.55 115.28 3guv h SER 15 Ca -0.47 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 59.58 3guv h SER 15 Cb 1.24 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3guv h SER 15 CO 0.61 1.64 0.00 0.35 -1.14 0.00 0.00 176.83 178.28 3guv n THR 16 N -3.85 0.00 -4.29 -2.27 -2.24 -1.26 -2.47 114.28 97.89 3guv n THR 16 Ca -0.22 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 3guv n THR 16 Cb 0.96 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 3guv n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3guv s SER 17 N -0.64 1.92 0.44 3.42 1.04 -1.25 -1.34 113.70 117.30 3guv s SER 17 Ca 0.00 -1.08 0.12 0.00 0.48 0.00 0.00 55.95 55.47 3guv s SER 17 Cb 0.00 -0.02 0.99 0.00 0.10 0.00 0.00 66.02 67.09 3guv s SER 17 CO 0.00 -0.37 2.04 -0.29 0.98 0.00 0.00 173.24 175.60 3guv h ILE 18 N 2.65 1.09 -0.73 -1.02 2.10 -1.10 -0.98 117.51 119.53 3guv h ILE 18 Ca -0.37 -0.36 0.13 0.00 1.08 0.00 0.00 64.86 65.34 3guv h ILE 18 Cb 1.20 0.98 -0.09 0.00 -1.09 0.00 0.00 36.82 37.83 3guv h ILE 18 CO 0.64 0.12 0.29 1.56 -1.08 0.00 0.00 178.15 179.68 3guv h GLN 19 N 0.20 0.44 0.09 2.19 4.20 -1.89 0.28 115.11 120.62 3guv h GLN 19 Ca 0.05 -0.03 -0.35 0.00 0.06 0.00 0.00 58.65 58.38 3guv h GLN 19 Cb 0.14 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3guv h GLN 19 CO 0.00 0.29 -1.95 -0.89 -0.67 0.00 0.00 178.83 175.61 3guv n ILE 20 N -4.99 1.73 0.01 2.54 2.08 -0.93 -4.67 119.36 115.14 3guv n ILE 20 Ca 0.13 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.75 3guv n ILE 20 Cb 0.38 -1.55 -0.00 0.00 -0.75 0.00 0.00 39.64 37.72 3guv n ILE 20 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3guv n GLU 21 N -3.36 4.69 -0.33 0.38 1.02 -0.42 -4.75 120.64 117.87 3guv n GLU 21 Ca -0.29 -0.00 0.12 0.00 -0.02 0.00 0.00 57.16 56.97 3guv n GLU 21 Cb 1.05 -0.68 0.30 0.00 -0.02 0.00 0.00 31.44 32.10 3guv n GLU 21 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3guv h GLY 22 N 0.10 1.67 1.50 0.62 0.00 -0.56 -2.40 103.07 104.01 3guv h GLY 22 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.09 3guv h GLY 22 CO 0.00 -0.11 0.20 0.10 0.00 0.00 0.00 176.54 176.72 3guv h TYR 23 N 0.65 0.00 -0.37 5.60 -0.00 -1.86 0.63 116.97 121.63 3guv h TYR 23 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.29 3guv h TYR 23 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.64 3guv h TYR 23 CO -0.05 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 176.98 3guv n SER 24 N -3.90 3.31 -0.11 0.10 3.41 -0.90 -4.36 113.62 111.17 3guv n SER 24 Ca 0.02 -1.95 -0.13 0.00 -0.26 0.00 0.00 58.87 56.55 3guv n SER 24 Cb 0.32 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3guv n SER 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3guv h LEU 25 N 4.01 0.80 -0.48 1.04 3.38 -0.96 -2.23 115.31 120.87 3guv h LEU 25 Ca 0.00 -0.45 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 3guv h LEU 25 Cb 0.92 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3guv h LEU 25 CO 0.00 1.09 -0.62 1.05 0.09 0.00 0.00 178.44 180.04 3guv h GLU 26 N 0.53 0.50 -0.98 1.13 9.09 -1.76 0.61 114.58 123.69 3guv h GLU 26 Ca 0.06 -0.35 0.01 0.00 0.05 0.00 0.00 59.36 59.13 3guv h GLU 26 Cb 0.84 0.05 -0.05 0.00 -1.65 0.00 0.00 28.75 27.94 3guv h GLU 26 CO 0.07 0.96 0.64 0.00 0.05 0.00 0.00 179.01 180.73 3guv h ALA 27 N 0.96 1.29 0.23 1.06 0.00 -1.79 -1.19 119.26 119.81 3guv h ALA 27 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3guv h ALA 27 Cb 1.17 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3guv h ALA 27 CO 0.11 0.66 -0.11 1.96 0.00 0.00 0.00 179.25 181.86 3guv h GLN 28 N 1.33 -0.30 -0.35 0.00 4.20 -0.83 -2.52 115.11 116.64 3guv h GLN 28 Ca 0.36 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.13 3guv h GLN 28 Cb -0.14 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 3guv h GLN 28 CO -0.08 -0.15 0.13 0.87 -0.67 0.00 0.00 178.83 178.94 3guv h LYS 29 N -0.39 0.28 -0.68 1.46 1.57 -0.76 -0.37 116.57 117.67 3guv h LYS 29 Ca -0.03 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3guv h LYS 29 Cb 0.30 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 3guv h LYS 29 CO 0.05 0.18 0.35 0.77 -0.57 0.00 0.00 179.45 180.24 3guv h SER 30 N 0.28 0.49 -0.25 0.86 0.02 -1.24 0.86 113.55 114.57 3guv h SER 30 Ca 0.16 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3guv h SER 30 Cb 0.13 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3guv h SER 30 CO -0.16 0.30 0.14 -0.09 -1.14 0.00 0.00 176.83 175.89 3guv h ARG 31 N 0.63 0.28 -0.70 3.45 9.65 -1.02 0.07 114.38 126.73 3guv h ARG 31 Ca 0.32 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.11 3guv h ARG 31 Cb 0.27 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 3guv h ARG 31 CO -0.22 0.19 0.15 0.52 2.80 0.00 0.00 179.97 183.40 3guv h MET 32 N 0.29 1.14 -0.56 0.20 2.86 -0.48 -1.55 114.93 116.83 3guv h MET 32 Ca 0.10 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 3guv h MET 32 Cb 0.01 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3guv h MET 32 CO -0.06 1.01 0.12 0.87 1.06 0.00 0.00 176.91 179.92 3guv h LYS 33 N 1.07 0.91 -0.38 1.72 1.57 -0.65 -0.55 116.57 120.27 3guv h LYS 33 Ca 0.22 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3guv h LYS 33 Cb 0.40 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3guv h LYS 33 CO 0.01 0.86 0.11 0.00 -0.57 0.00 0.00 179.45 179.86 3guv h ALA 34 N 1.01 0.43 -0.50 3.86 0.00 -0.78 -0.33 119.26 122.95 3guv h ALA 34 Ca 0.17 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3guv h ALA 34 Cb 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3guv h ALA 34 CO 0.01 -0.28 0.27 0.35 0.00 0.00 0.00 179.25 179.59 3guv h PHE 35 N 0.25 0.51 -0.22 0.00 3.57 -1.03 0.94 116.94 120.96 3guv h PHE 35 Ca 0.18 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3guv h PHE 35 Cb 0.18 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3guv h PHE 35 CO -0.16 0.27 -0.12 0.00 -2.23 0.00 0.00 178.31 176.06 3guv h ALA 36 N 1.25 0.06 0.39 2.41 0.00 -0.54 -1.79 119.26 121.04 3guv h ALA 36 Ca 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3guv h ALA 36 Cb 0.08 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3guv h ALA 36 CO -0.13 -0.54 -0.30 0.82 0.00 0.00 0.00 179.25 179.10 3guv h ILE 37 N -0.10 0.00 -1.10 0.00 2.04 -0.25 -0.86 117.51 117.23 3guv h ILE 37 Ca 0.12 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.29 3guv h ILE 37 Cb 0.29 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.30 3guv h ILE 37 CO -0.29 0.00 0.75 1.88 0.00 0.00 0.00 178.15 180.50 3guv h TYR 38 N -0.67 0.32 -0.21 1.37 0.99 -0.83 0.39 116.97 118.33 3guv h TYR 38 Ca -0.05 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3guv h TYR 38 Cb 0.55 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 38.19 3guv h TYR 38 CO -0.10 0.02 0.00 0.09 -0.00 0.00 0.00 178.16 178.17 3guv n ASN 39 N -4.41 2.36 -3.11 3.88 3.02 -0.68 -4.95 115.26 111.38 3guv n ASN 39 Ca 0.25 -1.81 -0.23 0.00 -0.03 0.00 0.00 54.58 52.76 3guv n ASN 39 Cb 1.07 -0.13 0.04 0.00 -0.61 0.00 0.00 39.78 40.15 3guv n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3guv n ASP 40 N 0.79 -6.16 -4.87 6.41 4.64 0.13 -4.99 116.55 112.49 3guv n ASP 40 Ca 0.17 -0.33 -0.30 0.00 -1.38 0.00 0.00 54.79 52.95 3guv n ASP 40 Cb 0.45 -4.96 -0.02 0.00 -1.04 0.00 0.00 41.12 35.55 3guv n ASP 40 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 3guv s TYR 41 N -3.20 3.52 -0.23 -0.67 2.02 -0.42 -4.36 117.35 114.01 3guv s TYR 41 Ca 0.35 1.18 -0.03 0.00 -0.37 0.00 0.00 57.07 58.19 3guv s TYR 41 Cb -0.15 -2.58 0.01 0.00 -0.40 0.00 0.00 41.96 38.83 3guv s TYR 41 CO 0.43 -0.35 -0.05 -2.00 -1.57 0.00 0.00 175.55 172.00 3guv s GLU 42 N -4.40 3.16 -0.10 -0.62 2.12 0.49 -4.67 118.70 114.69 3guv s GLU 42 Ca 0.54 -0.77 -0.25 0.00 0.36 0.00 0.00 54.97 54.85 3guv s GLU 42 Cb -0.10 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 3guv s GLU 42 CO 0.39 -0.28 0.77 0.42 -0.54 0.00 0.00 175.26 176.03 3guv s ILE 43 N 1.42 4.97 0.00 -3.70 1.01 -1.26 -0.64 121.20 123.00 3guv s ILE 43 Ca 0.04 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3guv s ILE 43 Cb -0.15 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3guv s ILE 43 CO -0.04 0.16 0.86 1.33 0.00 0.00 0.00 174.94 177.25 3guv n VAL 44 N 4.14 0.73 -3.65 2.92 0.24 0.01 -4.92 118.33 117.79 3guv n VAL 44 Ca 0.01 -0.77 -0.02 0.00 -2.04 0.00 0.00 64.34 61.52 3guv n VAL 44 Cb 0.50 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 3guv n VAL 44 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3guv s GLY 45 N -0.73 0.33 -0.06 7.63 0.00 -1.24 -4.99 107.32 108.25 3guv s GLY 45 Ca 0.00 3.43 0.01 0.00 0.00 0.00 0.00 44.72 48.16 3guv s GLY 45 CO 0.00 1.77 -0.08 -0.54 0.00 0.00 0.00 173.10 174.25 3guv s GLU 46 N -0.20 1.26 -0.00 2.90 2.02 -1.26 -0.96 118.70 122.45 3guv s GLU 46 Ca 0.08 -0.23 0.05 0.00 0.02 0.00 0.00 54.97 54.89 3guv s GLU 46 Cb -0.04 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.99 3guv s GLU 46 CO -0.15 -0.08 -0.17 0.71 0.02 0.00 0.00 175.26 175.60 3guv s TYR 47 N 1.01 1.48 -0.14 1.61 2.02 -0.28 -4.97 117.35 118.08 3guv s TYR 47 Ca -0.09 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 3guv s TYR 47 Cb -0.14 -0.94 0.06 0.00 -0.40 0.00 0.00 41.96 40.54 3guv s TYR 47 CO -0.00 -0.01 0.29 -2.00 -1.57 0.00 0.00 175.55 172.26 3guv s GLU 48 N -0.50 0.20 -0.87 -0.62 2.12 -1.26 -1.43 118.70 116.34 3guv s GLU 48 Ca 0.06 0.75 -0.13 0.00 0.36 0.00 0.00 54.97 56.01 3guv s GLU 48 Cb -0.07 0.00 0.23 0.00 0.26 0.00 0.00 34.13 34.56 3guv s GLU 48 CO -0.00 -0.25 0.82 -0.51 -0.54 0.00 0.00 175.26 174.77 3guv s ASP 49 N 2.18 6.84 0.00 -1.70 1.01 -0.61 -4.74 116.67 119.65 3guv s ASP 49 Ca -0.02 -2.83 0.26 0.00 0.71 0.00 0.00 52.55 50.67 3guv s ASP 49 Cb -0.11 -2.21 0.69 0.00 1.01 0.00 0.00 42.92 42.30 3guv s ASP 49 CO -0.09 -0.53 1.53 0.00 0.21 0.00 0.00 175.17 176.28 3guv n ALA 50 N 3.77 3.08 -2.53 5.23 0.00 -1.26 -2.26 120.51 126.54 3guv n ALA 50 Ca 0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 3guv n ALA 50 Cb 0.46 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.82 3guv n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3guv n GLY 51 N 1.33 0.80 0.01 0.00 0.00 -1.26 -3.28 105.19 102.79 3guv n GLY 51 Ca 0.12 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.67 3guv n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3guv n LYS 52 N -0.87 0.07 -1.75 1.61 5.02 -1.26 -1.11 118.16 119.88 3guv n LYS 52 Ca -0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3guv n LYS 52 Cb 0.51 -1.53 0.11 0.00 -0.02 0.00 0.00 35.03 34.10 3guv n LYS 52 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3guv s SER 53 N -3.24 4.14 -0.06 4.39 1.04 -1.26 -4.98 113.70 113.72 3guv s SER 53 Ca 0.09 0.88 0.09 0.00 0.48 0.00 0.00 55.95 57.49 3guv s SER 53 Cb 0.16 -1.42 0.37 0.00 0.10 0.00 0.00 66.02 65.23 3guv s SER 53 CO 0.76 -2.15 1.19 0.61 0.98 0.00 0.00 173.24 174.63 3guv n GLY 54 N -2.83 1.54 3.96 7.32 0.00 -1.26 -4.91 105.19 109.01 3guv n GLY 54 Ca 0.07 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 3guv n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3guv s LYS 55 N -1.71 3.23 0.03 1.61 -2.85 -1.26 -5.06 119.74 113.74 3guv s LYS 55 Ca 0.26 -0.64 -0.25 0.00 -1.00 0.00 0.00 55.97 54.33 3guv s LYS 55 Cb 0.17 -2.71 -0.18 0.00 -2.06 0.00 0.00 37.83 33.06 3guv s LYS 55 CO 0.12 0.03 1.46 1.03 0.10 0.00 0.00 175.35 178.08 3guv h SER 56 N 0.74 -0.08 -3.68 0.03 0.87 -1.90 -3.44 113.55 106.09 3guv h SER 56 Ca -0.48 -0.24 -0.68 0.00 -1.23 0.00 0.00 61.79 59.16 3guv h SER 56 Cb 1.24 0.02 -0.20 0.00 -0.44 0.00 0.00 62.40 63.02 3guv h SER 56 CO 0.57 0.20 -0.70 -0.63 -0.53 0.00 0.00 176.83 175.74 3guv s ILE 57 N -5.12 3.62 0.39 2.23 -1.09 -1.26 -3.76 121.20 116.20 3guv s ILE 57 Ca -0.15 -0.51 -0.23 0.00 -2.23 0.00 0.00 60.65 57.53 3guv s ILE 57 Cb 0.03 -2.48 -0.10 0.00 -1.58 0.00 0.00 42.46 38.33 3guv s ILE 57 CO 0.65 0.59 0.97 -0.70 -1.23 0.00 0.00 174.94 175.21 3guv s GLU 58 N -0.69 4.34 0.00 2.79 2.56 -0.45 -4.97 118.70 122.27 3guv s GLU 58 Ca 0.10 1.28 0.00 0.00 0.00 0.00 0.00 54.97 56.35 3guv s GLU 58 Cb -0.11 -2.48 0.00 0.00 2.00 0.00 0.00 34.13 33.54 3guv s GLU 58 CO 0.02 0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 3guv n GLY 59 N 0.01 1.21 0.40 -1.50 0.00 -1.26 -4.95 105.19 99.10 3guv n GLY 59 Ca 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3guv n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3guv n ARG 60 N 0.00 0.00 -0.07 1.61 3.00 -1.26 -4.95 116.66 115.00 3guv n ARG 60 Ca 0.00 -0.63 -0.10 0.00 -0.00 0.00 0.00 57.85 57.12 3guv n ARG 60 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 32.46 32.08 3guv n ARG 60 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3guv h ILE 61 N 5.71 1.08 -0.02 5.15 2.04 -1.98 0.82 117.51 130.32 3guv h ILE 61 Ca 0.00 -0.19 -0.19 0.00 1.00 0.00 0.00 64.86 65.48 3guv h ILE 61 Cb 1.22 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3guv h ILE 61 CO 0.00 0.08 -0.82 1.56 0.00 0.00 0.00 178.15 178.97 3guv h GLN 62 N 0.33 0.23 -0.89 2.37 1.08 -1.93 0.14 115.11 116.44 3guv h GLN 62 Ca 0.09 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3guv h GLN 62 Cb -0.00 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 3guv h GLN 62 CO -0.02 0.93 0.59 0.35 -0.95 0.00 0.00 178.83 179.72 3guv h PHE 63 N 0.14 1.10 -0.24 2.96 3.57 -1.83 0.11 116.94 122.75 3guv h PHE 63 Ca -0.04 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3guv h PHE 63 Cb 1.42 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 3guv h PHE 63 CO 0.03 0.66 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.57 3guv h ASN 64 N 1.17 0.67 -0.68 0.41 2.35 -0.49 -1.66 115.58 117.35 3guv h ASN 64 Ca 0.34 -0.50 0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3guv h ASN 64 Cb -0.06 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.04 3guv h ASN 64 CO -0.10 1.03 0.28 -0.09 -1.65 0.00 0.00 177.43 176.91 3guv h ARG 65 N 0.32 0.46 -0.22 0.81 2.43 -0.72 -2.30 114.38 115.16 3guv h ARG 65 Ca 0.03 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3guv h ARG 65 Cb 0.87 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3guv h ARG 65 CO 0.07 0.31 0.07 1.98 -1.51 0.00 0.00 179.97 180.88 3guv h MET 66 N 0.48 0.16 -0.69 0.20 4.05 -0.43 -1.98 114.93 116.72 3guv h MET 66 Ca 0.35 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.75 3guv h MET 66 Cb 0.44 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 3guv h MET 66 CO -0.32 0.11 0.41 0.52 0.23 0.00 0.00 176.91 177.86 3guv h MET 67 N 0.16 0.94 -0.72 0.39 2.86 -0.97 -0.69 114.93 116.90 3guv h MET 67 Ca 0.10 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3guv h MET 67 Cb 0.07 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3guv h MET 67 CO -0.11 0.66 0.25 0.93 1.06 0.00 0.00 176.91 179.71 3guv h GLU 68 N 0.95 1.09 0.00 1.72 4.39 -1.10 -1.22 114.58 120.41 3guv h GLU 68 Ca 0.25 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 3guv h GLU 68 Cb -0.03 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3guv h GLU 68 CO -0.05 0.91 -0.27 -0.44 -1.16 0.00 0.00 179.01 178.01 3guv h ASP 69 N 1.06 0.00 -0.01 1.42 3.32 -0.56 -1.03 116.42 120.61 3guv h ASP 69 Ca 0.24 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 3guv h ASP 69 Cb 0.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.81 3guv h ASP 69 CO -0.01 0.27 -0.41 0.40 -1.72 0.00 0.00 179.24 177.77 3guv h ILE 70 N 0.00 1.48 -0.76 0.35 2.04 -0.81 -2.88 117.51 116.94 3guv h ILE 70 Ca -0.00 -1.98 0.02 0.00 1.00 0.00 0.00 64.86 63.89 3guv h ILE 70 Cb 0.51 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.20 3guv h ILE 70 CO 0.03 0.56 0.50 0.11 0.00 0.00 0.00 178.15 179.35 3guv h LYS 71 N -0.30 0.97 0.00 2.37 1.57 -1.07 -2.36 116.57 117.76 3guv h LYS 71 Ca -0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3guv h LYS 71 Cb 1.13 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3guv h LYS 71 CO 0.08 0.64 0.00 0.66 -0.57 0.00 0.00 179.45 180.26 3guv h SER 72 N 1.00 0.00 0.00 0.86 4.64 -1.22 -3.47 113.55 115.36 3guv h SER 72 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3guv h SER 72 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3guv h SER 72 CO -0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 3guv n GLY 73 N 0.30 1.38 0.00 -0.77 0.00 -0.89 -4.90 105.19 100.32 3guv n GLY 73 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3guv n GLY 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3guv n LYS 74 N -2.00 0.00 0.00 1.61 4.81 -1.24 -1.70 118.16 119.64 3guv n LYS 74 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3guv n LYS 74 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 3guv n LYS 74 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3guv n ASP 75 N -2.48 1.37 -3.52 3.14 9.92 -1.26 -5.01 116.55 118.71 3guv n ASP 75 Ca 0.00 -1.18 -0.21 0.00 -0.53 0.00 0.00 54.79 52.87 3guv n ASP 75 Cb 0.00 0.40 0.08 0.00 -0.64 0.00 0.00 41.12 40.97 3guv n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3guv n GLY 76 N 0.89 -0.46 3.74 0.44 0.00 -0.69 -4.99 105.19 104.12 3guv n GLY 76 Ca 0.05 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3guv n GLY 76 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3guv s VAL 77 N -3.34 3.85 -0.06 1.61 -7.23 -1.26 -4.61 120.40 109.36 3guv s VAL 77 Ca 0.32 1.69 0.13 0.00 -1.81 0.00 0.00 61.98 62.32 3guv s VAL 77 Cb -0.14 -4.08 -0.23 0.00 0.56 0.00 0.00 36.38 32.49 3guv s VAL 77 CO 0.73 0.34 0.63 -1.20 -0.31 0.00 0.00 175.10 175.29 3guv n SER 78 N 1.96 0.81 -4.07 4.85 7.64 0.12 -4.66 113.62 120.26 3guv n SER 78 Ca 0.01 0.38 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 3guv n SER 78 Cb 0.46 0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 3guv n SER 78 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3guv s PHE 79 N -2.61 0.69 -0.21 1.43 0.08 -1.15 -1.37 117.98 114.84 3guv s PHE 79 Ca -0.05 -0.54 -0.09 0.00 0.12 0.00 0.00 56.93 56.38 3guv s PHE 79 Cb 0.08 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 3guv s PHE 79 CO 0.82 -0.09 0.10 0.08 -0.10 0.00 0.00 175.22 176.04 3guv s VAL 80 N -1.58 4.95 -0.20 -0.44 1.01 -0.07 -1.70 120.40 122.38 3guv s VAL 80 Ca -0.08 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 3guv s VAL 80 Cb -0.09 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3guv s VAL 80 CO -0.00 0.40 0.35 -0.76 0.00 0.00 0.00 175.10 175.09 3guv s LEU 81 N 0.77 4.16 0.28 3.92 1.02 -0.29 -1.24 118.68 127.30 3guv s LEU 81 Ca 0.05 0.45 0.10 0.00 0.02 0.00 0.00 54.13 54.76 3guv s LEU 81 Cb -0.13 -2.44 -0.05 0.00 0.02 0.00 0.00 46.19 43.59 3guv s LEU 81 CO 0.02 -0.04 -0.05 0.68 0.02 0.00 0.00 176.35 176.99 3guv s VAL 82 N 1.18 3.09 -0.02 -1.59 -7.23 0.05 -0.91 120.40 114.98 3guv s VAL 82 Ca 0.17 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.04 3guv s VAL 82 Cb -0.14 -2.71 -0.20 0.00 0.56 0.00 0.00 36.38 33.89 3guv s VAL 82 CO 0.07 -0.35 1.28 0.15 -0.31 0.00 0.00 175.10 175.94 3guv h PHE 83 N 1.96 0.01 -3.15 2.82 3.57 -1.81 0.24 116.94 120.58 3guv h PHE 83 Ca -0.43 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.08 3guv h PHE 83 Cb 1.25 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.91 3guv h PHE 83 CO 0.72 0.48 0.13 -1.59 -2.23 0.00 0.00 178.31 175.82 3guv s LYS 84 N -4.30 1.52 0.25 1.11 -2.85 -1.26 0.73 119.74 114.94 3guv s LYS 84 Ca -0.16 -0.85 -0.03 0.00 -1.00 0.00 0.00 55.97 53.94 3guv s LYS 84 Cb 0.02 0.57 0.43 0.00 -2.06 0.00 0.00 37.83 36.78 3guv s LYS 84 CO 0.68 -0.67 1.82 -0.07 0.10 0.00 0.00 175.35 177.20 3guv h LEU 85 N 2.08 0.75 0.00 2.77 3.38 -1.96 0.18 115.31 122.51 3guv h LEU 85 Ca -0.26 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3guv h LEU 85 Cb 1.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3guv h LEU 85 CO 0.32 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 177.73 3guv n SER 86 N -4.71 0.00 -2.42 -0.43 3.41 -1.26 -0.87 113.62 107.35 3guv n SER 86 Ca 0.15 -0.31 -0.26 0.00 -0.26 0.00 0.00 58.87 58.19 3guv n SER 86 Cb 0.29 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3guv n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3guv n ARG 87 N -1.00 3.39 0.03 4.33 5.12 0.62 -4.67 116.66 124.47 3guv n ARG 87 Ca 0.08 -4.42 0.00 0.00 -1.93 0.00 0.00 57.85 51.58 3guv n ARG 87 Cb 0.03 -2.22 0.00 0.00 -1.16 0.00 0.00 32.46 29.11 3guv n ARG 87 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3guv n PHE 88 N -0.50 -2.17 -4.37 -1.55 7.35 -0.83 -4.59 117.46 110.79 3guv n PHE 88 Ca 0.39 0.21 -0.19 0.00 -0.76 0.00 0.00 57.45 57.10 3guv n PHE 88 Cb 0.71 0.83 -0.10 0.00 0.35 0.00 0.00 39.48 41.27 3guv n PHE 88 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3guv s ALA 89 N -2.00 2.07 -0.25 3.13 0.00 -0.05 -5.02 121.76 119.64 3guv s ALA 89 Ca 0.00 -1.80 0.19 0.00 0.00 0.00 0.00 51.96 50.35 3guv s ALA 89 Cb 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 23.12 23.10 3guv s ALA 89 CO 0.00 -0.12 0.52 0.54 0.00 0.00 0.00 175.76 176.70 3guv n ARG 90 N -0.48 0.66 -3.86 0.00 1.74 -1.26 -4.57 116.66 108.88 3guv n ARG 90 Ca -0.06 -0.13 -0.04 0.00 -0.77 0.00 0.00 57.85 56.86 3guv n ARG 90 Cb 0.63 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.65 3guv n ARG 90 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3guv s ASN 91 N -3.81 -0.01 0.21 0.55 2.20 -1.26 -5.04 114.94 107.78 3guv s ASN 91 Ca -0.03 -0.69 -0.04 0.00 -0.94 0.00 0.00 52.86 51.16 3guv s ASN 91 Cb 0.13 0.53 0.18 0.00 -2.00 0.00 0.00 41.25 40.08 3guv s ASN 91 CO 0.79 -1.04 1.61 0.00 -2.94 0.00 0.00 177.10 175.51 3guv h ALA 92 N 2.00 0.85 -0.61 3.54 0.00 -1.93 -2.10 119.26 121.02 3guv h ALA 92 Ca -0.28 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3guv h ALA 92 Cb 1.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3guv h ALA 92 CO 0.35 0.64 0.07 0.00 0.00 0.00 0.00 179.25 180.31 3guv h ALA 93 N 1.06 0.99 -0.41 0.00 0.00 -1.89 -0.76 119.26 118.24 3guv h ALA 93 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3guv h ALA 93 Cb 0.79 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3guv h ALA 93 CO 0.07 0.63 0.19 -0.44 0.00 0.00 0.00 179.25 179.70 3guv h ASP 94 N 0.94 0.26 -0.74 0.00 3.32 -1.94 -1.61 116.42 116.63 3guv h ASP 94 Ca 0.18 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3guv h ASP 94 Cb 0.44 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3guv h ASP 94 CO 0.01 0.19 0.30 0.58 -1.72 0.00 0.00 179.24 178.60 3guv h VAL 95 N 0.38 1.25 0.05 -1.35 2.07 -0.97 -2.30 116.25 115.39 3guv h VAL 95 Ca 0.18 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3guv h VAL 95 Cb 0.11 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3guv h VAL 95 CO -0.14 0.32 -0.03 0.25 0.02 0.00 0.00 177.57 177.99 3guv h LEU 96 N 1.07 -0.06 -0.50 2.57 5.85 -1.02 -0.95 115.31 122.27 3guv h LEU 96 Ca 0.25 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3guv h LEU 96 Cb 0.21 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3guv h LEU 96 CO -0.02 0.36 -0.00 0.77 -0.34 0.00 0.00 178.44 179.21 3guv h SER 97 N -0.49 0.87 -0.13 1.25 4.64 -1.31 -1.15 113.55 117.23 3guv h SER 97 Ca -0.01 -0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3guv h SER 97 Cb 0.44 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3guv h SER 97 CO 0.01 0.97 0.05 0.74 -0.87 0.00 0.00 176.83 177.74 3guv h THR 98 N 0.75 0.98 -0.60 2.95 2.02 -1.43 -1.32 112.91 116.27 3guv h THR 98 Ca 0.14 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.29 3guv h THR 98 Cb 0.52 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3guv h THR 98 CO 0.03 0.02 0.40 0.25 0.37 0.00 0.00 175.52 176.59 3guv h LEU 99 N 0.13 0.66 -0.20 2.58 5.85 -0.99 -1.56 115.31 121.77 3guv h LEU 99 Ca 0.06 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 3guv h LEU 99 Cb 0.02 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 3guv h LEU 99 CO -0.05 0.47 -0.34 1.56 -0.34 0.00 0.00 178.44 179.74 3guv h GLN 100 N 0.77 0.59 -0.03 1.25 4.20 -0.62 -1.98 115.11 119.29 3guv h GLN 100 Ca 0.23 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3guv h GLN 100 Cb -0.03 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3guv h GLN 100 CO -0.05 0.97 0.02 0.82 -0.67 0.00 0.00 178.83 179.92 3guv h ILE 101 N 0.26 1.03 -0.20 2.54 2.04 -1.12 0.08 117.51 122.14 3guv h ILE 101 Ca 0.01 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3guv h ILE 101 Cb 0.93 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 3guv h ILE 101 CO 0.08 0.02 -0.32 0.24 0.00 0.00 0.00 178.15 178.17 3guv h MET 102 N 0.01 -0.35 -0.22 2.37 2.86 -1.31 -2.05 114.93 116.24 3guv h MET 102 Ca 0.01 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 3guv h MET 102 Cb 0.02 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3guv h MET 102 CO -0.00 -0.23 -0.22 1.96 1.06 0.00 0.00 176.91 179.48 3guv h GLN 103 N -0.36 0.39 -0.79 1.72 4.20 -0.77 0.15 115.11 119.64 3guv h GLN 103 Ca 0.11 -0.13 0.18 0.00 0.06 0.00 0.00 58.65 58.88 3guv h GLN 103 Cb 0.54 -0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.18 3guv h GLN 103 CO -0.40 0.59 0.25 0.22 -0.67 0.00 0.00 178.83 178.81 3guv h ASP 104 N 0.35 0.11 -0.62 1.46 1.82 -0.53 -0.66 116.42 118.34 3guv h ASP 104 Ca 0.06 0.15 -0.25 0.00 -0.39 0.00 0.00 57.03 56.60 3guv h ASP 104 Cb 0.58 0.18 -0.15 0.00 0.68 0.00 0.00 39.33 40.62 3guv h ASP 104 CO 0.04 -0.03 0.31 -1.22 -1.61 0.00 0.00 179.24 176.74 3guv n TYR 105 N -5.12 2.01 -0.98 0.28 4.01 -0.62 -4.92 117.16 111.82 3guv n TYR 105 Ca 0.17 -1.15 0.00 0.00 -0.16 0.00 0.00 57.90 56.75 3guv n TYR 105 Cb 0.52 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 3guv n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3guv n GLY 106 N -0.30 0.57 3.41 2.72 0.00 -0.25 -4.94 105.19 106.40 3guv n GLY 106 Ca 0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 3guv n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3guv s VAL 107 N -2.41 3.36 0.37 1.61 1.01 0.43 -4.76 120.40 120.01 3guv s VAL 107 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3guv s VAL 107 Cb 0.00 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3guv s VAL 107 CO 0.00 0.51 0.40 0.20 0.00 0.00 0.00 175.10 176.21 3guv s ASN 108 N 0.43 5.44 -0.12 3.32 0.01 -0.47 -2.07 114.94 121.48 3guv s ASN 108 Ca -0.07 -0.48 0.01 0.00 -0.71 0.00 0.00 52.86 51.61 3guv s ASN 108 Cb -0.15 -0.88 -0.01 0.00 0.41 0.00 0.00 41.25 40.62 3guv s ASN 108 CO 0.04 -0.51 -0.16 -0.22 -1.51 0.00 0.00 177.10 174.74 3guv s LEU 109 N -4.13 2.54 -0.14 0.60 2.96 -1.26 -0.89 118.68 118.36 3guv s LEU 109 Ca 0.46 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3guv s LEU 109 Cb -0.07 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.07 3guv s LEU 109 CO 0.29 0.17 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.66 3guv s ILE 110 N 0.34 2.34 -0.39 6.68 1.01 -0.38 -0.95 121.20 129.86 3guv s ILE 110 Ca -0.13 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 3guv s ILE 110 Cb -0.16 -1.96 0.05 0.00 0.01 0.00 0.00 42.46 40.40 3guv s ILE 110 CO 0.07 0.54 0.21 0.00 0.00 0.00 0.00 174.94 175.76 3guv h VAL 112 N 6.00 1.03 -0.10 0.00 2.07 -0.69 -1.34 116.25 123.22 3guv h VAL 112 Ca -0.24 -0.07 -0.20 0.00 0.82 0.00 0.00 66.70 67.01 3guv h VAL 112 Cb 1.09 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3guv h VAL 112 CO 0.70 0.02 -0.72 -0.08 0.02 0.00 0.00 177.57 177.51 3guv h GLU 113 N 0.04 0.66 0.00 1.57 4.81 0.07 -3.17 114.58 118.55 3guv h GLU 113 Ca 0.01 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3guv h GLU 113 Cb 0.01 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3guv h GLU 113 CO -0.00 1.19 0.00 -0.44 -0.73 0.00 0.00 179.01 179.03 3guv h ASP 114 N 0.32 0.00 -1.03 1.04 3.32 -1.68 -3.47 116.42 114.92 3guv h ASP 114 Ca -0.06 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.72 3guv h ASP 114 Cb 1.36 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.84 3guv h ASP 114 CO 0.15 0.00 -0.27 0.61 -1.72 0.00 0.00 179.24 178.00 3guv n GLY 115 N 0.01 0.86 3.79 2.75 0.00 -0.53 -5.01 105.19 107.07 3guv n GLY 115 Ca 0.02 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 3guv n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3guv s ILE 116 N -2.54 5.24 -0.19 -0.61 1.01 -1.06 -4.96 121.20 118.10 3guv s ILE 116 Ca 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 60.65 61.21 3guv s ILE 116 Cb 0.00 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.91 3guv s ILE 116 CO 0.00 0.49 0.09 -0.62 0.00 0.00 0.00 174.94 174.91 3guv s ASP 117 N -0.34 2.54 0.52 3.58 -1.08 -1.26 -1.09 116.67 119.54 3guv s ASP 117 Ca 0.19 -0.72 0.34 0.00 -0.52 0.00 0.00 52.55 51.85 3guv s ASP 117 Cb -0.14 -0.27 1.58 0.00 -1.46 0.00 0.00 42.92 42.62 3guv s ASP 117 CO 0.07 -0.36 2.02 0.77 0.52 0.00 0.00 175.17 178.19 3guv h SER 118 N 8.41 0.00 0.97 -0.34 4.64 -1.42 -2.77 113.55 123.03 3guv h SER 118 Ca -0.16 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.08 3guv h SER 118 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3guv h SER 118 CO 0.31 0.00 -0.40 0.77 -0.87 0.00 0.00 176.83 176.64 3guv h SER 119 N 0.00 0.00 -0.04 4.97 4.64 -1.95 -3.04 113.55 118.13 3guv h SER 119 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3guv h SER 119 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3guv h SER 119 CO 0.00 0.40 0.00 0.29 -0.87 0.00 0.00 176.83 176.65 3guv n LYS 120 N -3.46 1.12 0.00 4.77 4.76 -1.04 -5.18 118.16 119.13 3guv n LYS 120 Ca 0.00 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 3guv n LYS 120 Cb 0.55 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 3guv n LYS 120 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3guv n ASP 121 N -0.27 0.00 -2.89 4.39 2.03 -1.15 -5.09 116.55 113.56 3guv n ASP 121 Ca 0.01 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.93 3guv n ASP 121 Cb 0.10 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.54 3guv n ASP 121 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3guv n LYS 124 N 0.00 2.78 -0.10 -0.67 0.00 -1.26 -5.05 118.16 113.86 3guv n LYS 124 Ca 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 58.31 54.67 3guv n LYS 124 Cb 0.00 -2.27 0.10 0.00 0.00 0.00 0.00 35.03 32.86 3guv n LYS 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3guv h LEU 125 N 2.97 0.80 -0.43 3.14 5.85 -1.99 -2.93 115.31 122.72 3guv h LEU 125 Ca 0.56 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 59.08 3guv h LEU 125 Cb 0.07 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3guv h LEU 125 CO 1.41 0.96 0.12 -0.03 -0.34 0.00 0.00 178.44 180.56 3guv h MET 126 N 0.72 0.25 -0.76 1.25 4.05 -1.96 -1.68 114.93 116.79 3guv h MET 126 Ca 0.11 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 3guv h MET 126 Cb 0.66 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3guv h MET 126 CO 0.05 0.17 0.30 0.82 0.23 0.00 0.00 176.91 178.48 3guv h ILE 127 N 0.26 1.26 -0.45 1.77 1.08 -1.97 -2.09 117.51 117.36 3guv h ILE 127 Ca 0.21 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.84 3guv h ILE 127 Cb 0.24 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 3guv h ILE 127 CO -0.25 0.33 0.14 0.28 -0.69 0.00 0.00 178.15 177.96 3guv h SER 128 N 1.09 0.66 -0.05 1.72 0.02 -1.28 0.43 113.55 116.14 3guv h SER 128 Ca 0.25 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3guv h SER 128 Cb 0.22 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3guv h SER 128 CO -0.02 0.70 0.00 0.58 -1.14 0.00 0.00 176.83 176.95 3guv h VAL 129 N 0.60 1.24 -0.32 2.27 2.07 -1.27 -0.70 116.25 120.13 3guv h VAL 129 Ca 0.15 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3guv h VAL 129 Cb 0.27 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3guv h VAL 129 CO -0.00 0.20 0.20 -0.07 0.02 0.00 0.00 177.57 177.92 3guv h LEU 130 N -0.19 0.38 -0.67 2.57 3.38 -1.26 0.14 115.31 119.66 3guv h LEU 130 Ca 0.02 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3guv h LEU 130 Cb 0.31 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3guv h LEU 130 CO 0.00 0.30 0.37 -1.28 0.09 0.00 0.00 178.44 177.93 3guv h SER 131 N 0.43 0.54 -0.31 -0.43 0.87 -0.90 0.33 113.55 114.07 3guv h SER 131 Ca 0.12 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3guv h SER 131 Cb -0.02 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3guv h SER 131 CO -0.02 0.35 -0.00 0.00 -0.53 0.00 0.00 176.83 176.62 3guv h ALA 132 N 1.36 1.22 0.06 6.23 0.00 0.18 -0.90 119.26 127.41 3guv h ALA 132 Ca 0.30 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 3guv h ALA 132 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3guv h ALA 132 CO -0.19 0.51 -1.16 0.28 0.00 0.00 0.00 179.25 178.70 3guv h VAL 133 N 0.63 1.57 -0.82 0.00 2.07 -0.33 -2.82 116.25 116.55 3guv h VAL 133 Ca 0.13 -3.21 -0.02 0.00 0.82 0.00 0.00 66.70 64.41 3guv h VAL 133 Cb 0.40 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 33.01 3guv h VAL 133 CO 0.02 0.92 0.43 0.00 0.02 0.00 0.00 177.57 178.95 3guv h ALA 134 N 0.78 1.21 -0.96 1.67 0.00 0.01 -2.26 119.26 119.71 3guv h ALA 134 Ca -0.09 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3guv h ALA 134 Cb 1.88 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3guv h ALA 134 CO 0.16 0.63 0.64 1.05 0.00 0.00 0.00 179.25 181.73 3guv h GLU 135 N 1.15 1.24 -0.26 0.00 9.09 -1.09 -0.65 114.58 124.06 3guv h GLU 135 Ca 0.29 -0.07 0.04 0.00 0.05 0.00 0.00 59.36 59.67 3guv h GLU 135 Cb 0.06 -0.28 -0.04 0.00 -1.65 0.00 0.00 28.75 26.84 3guv h GLU 135 CO -0.04 0.82 0.00 0.82 0.05 0.00 0.00 179.01 180.66 3guv h ILE 136 N 1.28 0.82 -0.44 -1.06 2.04 -1.18 -1.74 117.51 117.22 3guv h ILE 136 Ca 0.36 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 66.14 3guv h ILE 136 Cb -0.10 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3guv h ILE 136 CO -0.09 0.02 0.07 -0.33 0.00 0.00 0.00 178.15 177.81 3guv h GLU 137 N 0.08 0.73 -0.43 2.37 5.08 -0.85 -1.29 114.58 120.28 3guv h GLU 137 Ca 0.12 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3guv h GLU 137 Cb 0.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3guv h GLU 137 CO -0.21 0.76 0.26 0.00 -1.00 0.00 0.00 179.01 178.83 3guv h ARG 138 N 0.59 0.52 -0.54 2.33 3.08 -1.04 -1.97 114.38 117.35 3guv h ARG 138 Ca 0.13 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 3guv h ARG 138 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3guv h ARG 138 CO 0.01 0.34 -0.10 1.49 -1.07 0.00 0.00 179.97 180.64 3guv h GLU 139 N 0.54 1.02 -0.99 0.04 4.81 -1.09 -1.21 114.58 117.69 3guv h GLU 139 Ca 0.16 -0.37 0.16 0.00 -0.13 0.00 0.00 59.36 59.19 3guv h GLU 139 Cb -0.02 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.20 3guv h GLU 139 CO -0.06 1.06 0.62 -0.91 -0.73 0.00 0.00 179.01 178.98 3guv h ASN 140 N 0.91 0.82 -0.12 1.04 2.35 -1.09 -1.34 115.58 118.13 3guv h ASN 140 Ca 0.14 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 3guv h ASN 140 Cb 0.66 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 3guv h ASN 140 CO 0.05 0.36 -0.03 0.40 -1.65 0.00 0.00 177.43 176.56 3guv h ILE 141 N 0.83 1.29 -0.69 2.81 1.08 -0.53 -1.87 117.51 120.44 3guv h ILE 141 Ca 0.53 -0.97 0.11 0.00 -0.39 0.00 0.00 64.86 64.14 3guv h ILE 141 Cb 0.74 1.68 -0.08 0.00 -3.07 0.00 0.00 36.82 36.10 3guv h ILE 141 CO -0.31 0.28 0.31 0.03 -0.69 0.00 0.00 178.15 177.76 3guv h ARG 142 N -0.07 0.49 -0.51 2.37 3.08 -1.06 -0.06 114.38 118.62 3guv h ARG 142 Ca 0.03 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3guv h ARG 142 Cb 0.45 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3guv h ARG 142 CO 0.01 0.33 0.16 0.82 -1.07 0.00 0.00 179.97 180.22 3guv h ILE 143 N 0.51 1.23 -0.56 2.04 2.04 -1.17 0.88 117.51 122.48 3guv h ILE 143 Ca 0.35 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3guv h ILE 143 Cb 0.44 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3guv h ILE 143 CO -0.31 0.28 0.23 1.56 0.00 0.00 0.00 178.15 179.91 3guv h GLN 144 N 0.70 0.84 -0.55 2.37 4.20 -1.02 -0.38 115.11 121.27 3guv h GLN 144 Ca 0.17 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3guv h GLN 144 Cb 0.27 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3guv h GLN 144 CO -0.01 0.72 0.26 1.15 -0.67 0.00 0.00 178.83 180.28 3guv h THR 145 N 0.77 1.21 -0.29 -0.54 2.02 -0.77 -0.09 112.91 115.22 3guv h THR 145 Ca 0.19 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 3guv h THR 145 Cb 0.19 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3guv h THR 145 CO -0.02 0.23 0.18 -0.03 0.37 0.00 0.00 175.52 176.26 3guv h MET 146 N 0.74 0.40 -0.69 6.66 1.85 -0.59 -0.17 114.93 123.13 3guv h MET 146 Ca 0.19 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 3guv h MET 146 Cb 0.13 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 3guv h MET 146 CO -0.02 0.30 0.44 0.93 -0.40 0.00 0.00 176.91 178.16 3guv h GLU 147 N 0.38 0.91 -0.68 0.39 4.39 -0.94 -1.45 114.58 117.57 3guv h GLU 147 Ca 0.11 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.76 3guv h GLU 147 Cb 0.00 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 3guv h GLU 147 CO -0.02 0.62 0.45 0.78 -1.16 0.00 0.00 179.01 179.68 3guv h GLY 148 N 0.93 0.95 1.14 -3.84 0.00 -0.68 -2.13 103.07 99.44 3guv h GLY 148 Ca 0.25 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 3guv h GLY 148 CO -0.05 0.32 -0.17 0.00 0.00 0.00 0.00 176.54 176.64 3guv h ILE 150 N 0.86 0.84 -0.03 0.00 2.04 -0.89 -1.89 117.51 118.44 3guv h ILE 150 Ca 0.12 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3guv h ILE 150 Cb 0.73 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3guv h ILE 150 CO 0.06 0.09 -0.01 1.56 0.00 0.00 0.00 178.15 179.85 3guv h GLN 151 N 0.50 0.07 0.00 2.37 4.20 -1.27 -2.84 115.11 118.14 3guv h GLN 151 Ca 0.31 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3guv h GLN 151 Cb 0.32 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3guv h GLN 151 CO -0.26 0.44 -0.01 1.57 -0.67 0.00 0.00 178.83 179.90 3guv h LYS 152 N -0.31 0.00 0.00 1.46 -0.00 -1.15 -0.33 116.57 116.25 3guv h LYS 152 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.66 3guv h LYS 152 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.65 3guv h LYS 152 CO 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 179.45 179.46 3guv h ALA 153 N 1.99 1.01 0.00 0.07 0.00 -1.09 -2.72 119.26 118.52 3guv h ALA 153 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3guv h ALA 153 Cb 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3guv h ALA 153 CO 0.00 0.01 -1.36 0.00 0.00 0.00 0.00 179.25 177.90 3guv h ARG 154 N 0.00 0.00 -0.02 0.00 3.08 -1.02 -3.51 114.38 112.91 3guv h ARG 154 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3guv h ARG 154 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3guv h ARG 154 CO 0.00 0.33 0.00 0.39 -1.07 0.00 0.00 179.97 179.62