#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vjv s TYR 7 N 0.00 3.64 0.50 -1.77 1.51 -1.26 -4.80 117.35 115.18 2vjv s TYR 7 Ca 0.00 0.73 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 2vjv s TYR 7 Cb 0.00 -2.12 -0.00 0.00 -0.11 0.00 0.00 41.96 39.73 2vjv s TYR 7 CO 0.00 0.66 0.22 0.15 -1.11 0.00 0.00 175.55 175.47 2vjv s LYS 8 N -0.92 2.23 -0.02 -0.62 1.02 -0.47 -4.92 119.74 116.04 2vjv s LYS 8 Ca 0.19 -2.10 -0.18 0.00 0.02 0.00 0.00 55.97 53.90 2vjv s LYS 8 Cb -0.14 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 35.31 2vjv s LYS 8 CO 0.08 -0.41 0.39 -1.54 -0.92 0.00 0.00 175.35 172.95 2vjv s SER 9 N -4.06 -0.29 0.00 2.83 1.04 -1.26 -0.86 113.70 111.09 2vjv s SER 9 Ca 0.27 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2vjv s SER 9 Cb 0.01 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2vjv s SER 9 CO 0.16 -0.50 0.00 -0.46 0.98 0.00 0.00 173.24 173.42 2vjv n ASN 10 N 1.13 0.50 0.18 7.02 0.23 -0.67 -4.97 115.26 118.68 2vjv n ASN 10 Ca -0.21 -0.00 0.05 0.00 -0.53 0.00 0.00 54.58 53.89 2vjv n ASN 10 Cb 0.56 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.77 2vjv n ASN 10 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 2vjv h HIS 11 N 0.00 0.14 0.00 -2.53 3.86 -2.06 -3.35 115.15 111.21 2vjv h HIS 11 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2vjv h HIS 11 Cb 0.00 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2vjv h HIS 11 CO 0.00 0.19 -0.08 0.09 0.86 0.00 0.00 177.93 178.98 2vjv n ASN 12 N -4.41 0.42 -4.11 2.45 3.02 -1.26 -5.07 115.26 106.30 2vjv n ASN 12 Ca -0.01 -0.38 -0.21 0.00 -0.03 0.00 0.00 54.58 53.94 2vjv n ASN 12 Cb 0.17 0.85 -0.15 0.00 -0.61 0.00 0.00 39.78 40.05 2vjv n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vjv s VAL 13 N -0.94 1.06 -0.18 2.41 1.01 -1.26 -5.11 120.40 117.40 2vjv s VAL 13 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2vjv s VAL 13 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2vjv s VAL 13 CO 0.00 0.23 0.05 -0.69 0.00 0.00 0.00 175.10 174.69 2vjv s VAL 14 N -0.44 4.68 0.23 2.92 1.01 -1.26 -1.66 120.40 125.88 2vjv s VAL 14 Ca 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 2vjv s VAL 14 Cb -0.06 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2vjv s VAL 14 CO -0.00 0.47 0.55 -0.72 0.00 0.00 0.00 175.10 175.40 2vjv s TYR 15 N 0.31 0.02 -0.29 5.22 -0.85 -0.04 -4.98 117.35 116.74 2vjv s TYR 15 Ca 0.02 -0.40 0.04 0.00 -0.52 0.00 0.00 57.07 56.21 2vjv s TYR 15 Cb -0.12 0.40 0.19 0.00 0.38 0.00 0.00 41.96 42.80 2vjv s TYR 15 CO 0.00 -1.02 0.55 0.45 -1.52 0.00 0.00 175.55 174.01 2vjv s SER 16 N -2.93 -1.12 -0.30 -0.18 0.15 -1.26 -1.37 113.70 106.68 2vjv s SER 16 Ca 0.14 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.96 2vjv s SER 16 Cb -0.02 1.83 0.09 0.00 -1.71 0.00 0.00 66.02 66.21 2vjv s SER 16 CO 0.03 -0.31 0.03 0.00 1.20 0.00 0.00 173.24 174.20 2vjv s LYS 18 N 1.26 2.84 0.02 0.00 1.02 -1.26 -0.73 119.74 122.90 2vjv s LYS 18 Ca 0.05 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.55 2vjv s LYS 18 Cb -0.18 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 2vjv s LYS 18 CO -0.13 0.67 -0.04 0.71 -0.92 0.00 0.00 175.35 175.64 2vjv s TYR 19 N -0.89 0.38 -0.12 3.18 1.51 -0.21 -0.78 117.35 120.42 2vjv s TYR 19 Ca 0.14 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.67 2vjv s TYR 19 Cb -0.11 -0.24 -0.05 0.00 -0.11 0.00 0.00 41.96 41.45 2vjv s TYR 19 CO 0.03 -0.11 0.32 -1.01 -1.11 0.00 0.00 175.55 173.68 2vjv s HIS 20 N -1.05 3.53 -0.05 2.71 3.76 0.69 -1.66 115.29 123.22 2vjv s HIS 20 Ca -0.09 0.70 0.02 0.00 -0.15 0.00 0.00 55.06 55.54 2vjv s HIS 20 Cb -0.08 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.31 2vjv s HIS 20 CO -0.00 0.36 -0.10 0.42 -0.85 0.00 0.00 174.74 174.56 2vjv s ILE 21 N 0.04 0.96 -0.02 0.60 1.01 0.77 -1.45 121.20 123.12 2vjv s ILE 21 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2vjv s ILE 21 Cb -0.14 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.46 2vjv s ILE 21 CO 0.06 0.31 -0.01 -0.69 0.00 0.00 0.00 174.94 174.62 2vjv s VAL 22 N 0.57 0.15 0.10 2.92 1.01 -0.46 -0.58 120.40 124.11 2vjv s VAL 22 Ca -0.11 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 2vjv s VAL 22 Cb -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2vjv s VAL 22 CO 0.02 0.10 0.19 -1.66 0.00 0.00 0.00 175.10 173.75 2vjv s TRP 23 N 0.55 0.23 0.19 5.22 -2.14 -0.98 -0.60 118.94 121.41 2vjv s TRP 23 Ca -0.05 -0.65 0.05 0.00 2.66 0.00 0.00 56.10 58.11 2vjv s TRP 23 Cb -0.08 -0.09 -0.05 0.00 -3.10 0.00 0.00 33.47 30.15 2vjv s TRP 23 CO -0.01 -0.56 -0.09 0.00 -2.66 0.00 0.00 176.95 173.63 2vjv s PRO 25 N -3.74 2.16 0.28 0.00 0.02 -1.26 -3.70 135.00 128.75 2vjv s PRO 25 Ca 0.22 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 2vjv s PRO 25 Cb 0.02 -1.88 -0.13 0.00 0.02 0.00 0.00 34.50 32.54 2vjv s PRO 25 CO 0.05 -1.74 1.39 1.17 -0.33 0.00 0.00 177.00 177.53 2vjv n LYS 26 N -3.36 2.14 -1.02 5.54 3.00 0.17 -1.28 118.16 123.36 2vjv n LYS 26 Ca 0.10 0.76 -0.01 0.00 -0.00 0.00 0.00 58.31 59.16 2vjv n LYS 26 Cb 0.52 -2.40 -0.00 0.00 0.00 0.00 0.00 35.03 33.15 2vjv n LYS 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2vjv n TYR 27 N 1.37 0.00 -2.52 5.64 0.53 -1.26 -2.52 117.16 118.40 2vjv n TYR 27 Ca 0.09 0.00 -0.20 0.00 -1.02 0.00 0.00 57.90 56.77 2vjv n TYR 27 Cb 0.34 -1.62 -0.00 0.00 -1.03 0.00 0.00 39.34 37.03 2vjv n TYR 27 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2vjv n ARG 28 N 0.04 -2.28 -1.85 -0.72 0.63 -0.40 -4.94 116.66 107.14 2vjv n ARG 28 Ca -0.01 0.92 -0.41 0.00 -0.92 0.00 0.00 57.85 57.44 2vjv n ARG 28 Cb 0.40 -5.61 -0.00 0.00 0.45 0.00 0.00 32.46 27.70 2vjv n ARG 28 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2vjv s ARG 29 N -5.16 4.07 -1.41 -0.14 1.81 -1.05 -4.87 118.95 112.20 2vjv s ARG 29 Ca 0.05 2.48 -0.10 0.00 -1.72 0.00 0.00 55.73 56.45 2vjv s ARG 29 Cb -0.02 -2.92 0.07 0.00 -0.45 0.00 0.00 34.95 31.63 2vjv s ARG 29 CO 0.07 -0.53 2.28 1.63 -0.68 0.00 0.00 175.30 178.07 2vjv n LYS 30 N 0.38 3.60 0.00 3.54 5.02 -1.26 -4.57 118.16 124.87 2vjv n LYS 30 Ca 0.02 -2.99 0.09 0.00 -2.02 0.00 0.00 58.31 53.40 2vjv n LYS 30 Cb 0.40 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 2vjv n LYS 30 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2vjv n VAL 31 N 3.58 0.00 -2.13 -0.18 0.24 -0.96 -4.70 118.33 114.17 2vjv n VAL 31 Ca 0.55 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 62.11 2vjv n VAL 31 Cb 0.32 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 2vjv n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vjv n LEU 32 N 0.02 7.01 -4.26 1.34 4.77 -0.33 -4.63 117.00 120.92 2vjv n LEU 32 Ca 0.08 -4.59 -0.14 0.00 -0.03 0.00 0.00 56.01 51.33 2vjv n LEU 32 Cb 0.39 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 39.89 2vjv n LEU 32 CO 0.22 1.48 -0.27 0.68 -1.33 0.00 0.00 177.39 178.17 2vjv s VAL 33 N 0.68 0.39 0.00 4.08 -7.23 -1.26 -3.79 120.40 113.27 2vjv s VAL 33 Ca 0.44 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2vjv s VAL 33 Cb 0.12 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2vjv s VAL 33 CO -0.03 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 2vjv n GLY 34 N -0.34 2.86 0.28 2.32 0.00 -1.26 -1.86 105.19 107.20 2vjv n GLY 34 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2vjv n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vjv h ALA 35 N -0.29 1.49 -0.34 4.61 0.00 -1.99 -2.55 119.26 120.20 2vjv h ALA 35 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2vjv h ALA 35 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2vjv h ALA 35 CO 0.00 0.38 0.06 0.28 0.00 0.00 0.00 179.25 179.97 2vjv h VAL 36 N 0.52 1.23 -0.47 0.00 2.07 -1.67 -1.21 116.25 116.72 2vjv h VAL 36 Ca 0.12 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2vjv h VAL 36 Cb 0.19 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2vjv h VAL 36 CO -0.01 0.27 0.27 -0.08 0.02 0.00 0.00 177.57 178.05 2vjv h GLU 37 N 0.40 0.53 -0.23 1.57 4.81 -1.11 -0.60 114.58 119.96 2vjv h GLU 37 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2vjv h GLU 37 Cb 0.34 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2vjv h GLU 37 CO 0.01 0.35 0.10 1.98 -0.73 0.00 0.00 179.01 180.72 2vjv h MET 38 N 0.55 0.33 -0.41 1.92 4.05 -1.25 -2.48 114.93 117.65 2vjv h MET 38 Ca 0.19 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.44 2vjv h MET 38 Cb 0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2vjv h MET 38 CO -0.09 0.37 -0.21 -0.09 0.23 0.00 0.00 176.91 177.11 2vjv h ARG 39 N 0.22 0.80 -0.18 0.39 9.65 -1.04 -2.80 114.38 121.42 2vjv h ARG 39 Ca 0.08 -0.32 0.03 0.00 -1.10 0.00 0.00 59.98 58.67 2vjv h ARG 39 Cb 0.15 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 2vjv h ARG 39 CO -0.01 0.94 -0.01 1.25 2.80 0.00 0.00 179.97 184.95 2vjv h LEU 40 N 0.70 -0.08 -0.85 3.80 5.85 -0.94 0.45 115.31 124.24 2vjv h LEU 40 Ca 0.10 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2vjv h LEU 40 Cb 0.73 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2vjv h LEU 40 CO 0.06 -0.02 0.56 0.11 -0.34 0.00 0.00 178.44 178.81 2vjv h LYS 41 N 0.05 1.11 -0.61 1.25 1.57 -1.37 -0.58 116.57 118.00 2vjv h LYS 41 Ca 0.09 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2vjv h LYS 41 Cb 0.11 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2vjv h LYS 41 CO -0.15 0.74 0.22 1.49 -0.57 0.00 0.00 179.45 181.17 2vjv h GLU 42 N 1.14 0.92 -0.46 3.15 4.81 -1.14 -0.74 114.58 122.26 2vjv h GLU 42 Ca 0.31 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 2vjv h GLU 42 Cb -0.13 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2vjv h GLU 42 CO -0.07 0.80 -0.14 0.82 -0.73 0.00 0.00 179.01 179.69 2vjv h ILE 43 N 0.85 1.27 -0.62 2.32 2.04 -0.42 -2.18 117.51 120.77 2vjv h ILE 43 Ca 0.20 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2vjv h ILE 43 Cb 0.24 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2vjv h ILE 43 CO -0.01 0.44 0.24 0.40 0.00 0.00 0.00 178.15 179.22 2vjv h ILE 44 N 0.75 1.24 -0.88 -0.67 1.08 -0.87 -0.67 117.51 117.48 2vjv h ILE 44 Ca 0.11 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 2vjv h ILE 44 Cb 0.70 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 2vjv h ILE 44 CO 0.05 0.29 0.48 1.56 -0.69 0.00 0.00 178.15 179.85 2vjv h GLN 45 N 0.88 1.22 -0.39 2.37 1.08 -1.05 0.28 115.11 119.50 2vjv h GLN 45 Ca 0.21 -0.14 -0.12 0.00 -1.45 0.00 0.00 58.65 57.14 2vjv h GLN 45 Cb 0.22 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2vjv h GLN 45 CO -0.02 0.89 -0.24 1.49 -0.95 0.00 0.00 178.83 180.01 2vjv h GLU 46 N 1.22 0.85 -0.27 1.46 4.57 -0.91 -0.52 114.58 120.98 2vjv h GLU 46 Ca 0.31 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2vjv h GLU 46 Cb 0.02 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2vjv h GLU 46 CO -0.05 1.03 0.17 0.28 -1.18 0.00 0.00 179.01 179.27 2vjv h VAL 47 N 0.66 1.08 -0.67 0.32 2.07 -0.80 -1.45 116.25 117.46 2vjv h VAL 47 Ca 0.08 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2vjv h VAL 47 Cb 0.81 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2vjv h VAL 47 CO 0.07 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.18 2vjv h ALA 48 N 1.08 0.85 -0.39 1.67 0.00 -0.75 0.22 119.26 121.94 2vjv h ALA 48 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2vjv h ALA 48 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2vjv h ALA 48 CO -0.02 0.28 0.25 -0.22 0.00 0.00 0.00 179.25 179.54 2vjv h LYS 49 N 0.91 0.52 -0.01 0.00 3.64 -0.85 -0.40 116.57 120.38 2vjv h LYS 49 Ca 0.24 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2vjv h LYS 49 Cb -0.10 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2vjv h LYS 49 CO -0.05 0.36 -0.35 0.93 -2.27 0.00 0.00 179.45 178.06 2vjv h GLU 50 N 0.53 0.03 -0.61 1.90 5.08 -0.78 -3.03 114.58 117.69 2vjv h GLU 50 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2vjv h GLU 50 Cb -0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2vjv h GLU 50 CO -0.03 0.38 0.00 1.28 -1.00 0.00 0.00 179.01 179.64 2vjv n LEU 51 N -4.11 3.34 -3.50 1.33 4.32 0.02 -4.94 117.00 113.47 2vjv n LEU 51 Ca -0.02 -1.67 -0.25 0.00 -0.02 0.00 0.00 56.01 54.05 2vjv n LEU 51 Cb 0.40 -0.42 0.05 0.00 -1.62 0.00 0.00 43.42 41.82 2vjv n LEU 51 CO 0.39 0.79 0.12 0.54 -1.22 0.00 0.00 177.39 178.01 2vjv n ARG 52 N 1.22 -6.13 -4.45 3.23 1.74 -0.59 -4.97 116.66 106.70 2vjv n ARG 52 Ca 0.20 0.76 -0.34 0.00 -0.77 0.00 0.00 57.85 57.71 2vjv n ARG 52 Cb 0.54 -5.70 -0.11 0.00 -1.02 0.00 0.00 32.46 26.17 2vjv n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2vjv s VAL 53 N -3.24 3.92 -0.28 1.55 1.01 -0.26 -4.72 120.40 118.38 2vjv s VAL 53 Ca 0.51 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 2vjv s VAL 53 Cb -0.24 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2vjv s VAL 53 CO 0.64 0.54 0.31 -0.70 0.00 0.00 0.00 175.10 175.88 2vjv s GLU 54 N -0.15 3.95 -0.32 2.72 2.12 -0.90 -4.35 118.70 121.77 2vjv s GLU 54 Ca 0.03 -0.13 -0.22 0.00 0.36 0.00 0.00 54.97 55.01 2vjv s GLU 54 Cb -0.13 -3.67 -0.00 0.00 0.26 0.00 0.00 34.13 30.59 2vjv s GLU 54 CO 0.02 -0.27 0.72 0.42 -0.54 0.00 0.00 175.26 175.61 2vjv s ILE 55 N 1.96 4.85 -0.11 -3.70 -1.09 -1.26 -1.11 121.20 120.73 2vjv s ILE 55 Ca 0.12 0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 59.46 2vjv s ILE 55 Cb -0.16 -4.10 -0.26 0.00 -1.58 0.00 0.00 42.46 36.36 2vjv s ILE 55 CO 0.10 -0.24 0.39 -0.38 -1.23 0.00 0.00 174.94 173.59 2vjv n ILE 56 N 5.52 1.78 -3.77 2.92 5.41 0.43 -4.97 119.36 126.68 2vjv n ILE 56 Ca 0.01 -0.67 -0.13 0.00 1.00 0.00 0.00 62.75 62.97 2vjv n ILE 56 Cb 0.48 -1.69 -0.10 0.00 -0.71 0.00 0.00 39.64 37.63 2vjv n ILE 56 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2vjv s GLU 57 N -2.56 0.53 -0.19 0.38 2.12 -0.98 -4.97 118.70 113.03 2vjv s GLU 57 Ca -0.21 0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 2vjv s GLU 57 Cb 0.07 0.24 0.10 0.00 0.26 0.00 0.00 34.13 34.80 2vjv s GLU 57 CO 0.77 -0.12 0.32 1.41 -0.54 0.00 0.00 175.26 177.11 2vjv s MET 58 N -0.63 0.25 0.04 4.30 1.75 -1.26 -0.84 119.30 122.92 2vjv s MET 58 Ca -0.07 0.62 0.08 0.00 -1.25 0.00 0.00 55.69 55.06 2vjv s MET 58 Cb -0.04 -0.36 -0.03 0.00 2.84 0.00 0.00 34.83 37.24 2vjv s MET 58 CO 0.02 -0.47 -0.23 -0.65 -0.65 0.00 0.00 175.02 173.04 2vjv s GLN 59 N 2.48 1.54 0.07 4.11 -0.21 0.12 -4.99 119.66 122.77 2vjv s GLN 59 Ca 0.06 -1.00 0.05 0.00 0.02 0.00 0.00 55.36 54.49 2vjv s GLN 59 Cb -0.14 -1.67 -0.03 0.00 1.00 0.00 0.00 33.01 32.17 2vjv s GLN 59 CO -0.12 0.43 -0.15 0.95 -2.12 0.00 0.00 175.29 174.27 2vjv s THR 60 N -0.80 1.19 0.21 -0.19 -4.23 -1.26 -0.39 115.64 110.16 2vjv s THR 60 Ca 0.09 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2vjv s THR 60 Cb -0.09 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 2vjv s THR 60 CO 0.02 -0.18 0.05 -0.62 -0.54 0.00 0.00 174.62 173.35 2vjv s ASP 61 N -1.69 1.10 0.45 3.99 -1.08 -0.43 -5.01 116.67 113.99 2vjv s ASP 61 Ca -0.01 -1.28 0.30 0.00 -0.52 0.00 0.00 52.55 51.04 2vjv s ASP 61 Cb -0.10 0.16 1.39 0.00 -1.46 0.00 0.00 42.92 42.91 2vjv s ASP 61 CO 0.02 -0.66 1.68 0.11 0.52 0.00 0.00 175.17 176.84 2vjv h LYS 62 N 2.57 0.14 0.00 4.34 6.56 -1.93 -2.74 116.57 125.50 2vjv h LYS 62 Ca -0.37 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.20 2vjv h LYS 62 Cb 1.23 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.83 2vjv h LYS 62 CO 0.61 0.09 -0.24 -0.40 -2.06 0.00 0.00 179.45 177.45 2vjv n ASP 63 N -4.55 1.74 -3.54 0.86 3.85 -1.26 -1.19 116.55 112.47 2vjv n ASP 63 Ca 0.33 -3.00 -0.07 0.00 -0.71 0.00 0.00 54.79 51.35 2vjv n ASP 63 Cb 1.32 -0.40 -0.02 0.00 -1.35 0.00 0.00 41.12 40.67 2vjv n ASP 63 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 2vjv s HIS 64 N -2.29 -0.27 -0.02 2.11 -3.43 -1.03 -4.17 115.29 106.19 2vjv s HIS 64 Ca 0.28 0.17 0.03 0.00 -0.80 0.00 0.00 55.06 54.73 2vjv s HIS 64 Cb 0.26 0.53 -0.00 0.00 -1.43 0.00 0.00 32.58 31.93 2vjv s HIS 64 CO -0.01 -0.42 -0.10 -1.50 -2.00 0.00 0.00 174.74 170.71 2vjv s ILE 65 N -2.86 0.84 -0.08 -5.38 2.07 -0.76 -1.32 121.20 113.71 2vjv s ILE 65 Ca 0.07 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.93 2vjv s ILE 65 Cb -0.01 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.85 2vjv s ILE 65 CO -0.07 0.25 -0.21 -2.28 -1.91 0.00 0.00 174.94 170.72 2vjv s HIS 66 N 0.02 2.20 0.00 3.50 5.65 0.47 -2.32 115.29 124.81 2vjv s HIS 66 Ca -0.00 -0.84 0.05 0.00 0.25 0.00 0.00 55.06 54.52 2vjv s HIS 66 Cb -0.07 -1.49 -0.01 0.00 -1.18 0.00 0.00 32.58 29.83 2vjv s HIS 66 CO 0.00 -0.34 -0.15 0.42 -0.65 0.00 0.00 174.74 174.02 2vjv s ILE 67 N 0.34 1.22 -0.20 0.89 1.01 0.25 -0.70 121.20 124.01 2vjv s ILE 67 Ca -0.15 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2vjv s ILE 67 Cb -0.16 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.30 2vjv s ILE 67 CO 0.07 0.26 -0.16 -0.22 0.00 0.00 0.00 174.94 174.89 2vjv s LEU 68 N -0.57 2.51 0.05 2.97 2.96 -0.02 -0.16 118.68 126.42 2vjv s LEU 68 Ca 0.05 -0.80 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2vjv s LEU 68 Cb -0.06 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2vjv s LEU 68 CO -0.00 -0.05 -0.08 0.00 -1.32 0.00 0.00 176.35 174.91 2vjv s ALA 69 N 1.27 0.62 -0.24 5.97 0.00 -0.66 -0.43 121.76 128.28 2vjv s ALA 69 Ca 0.02 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 2vjv s ALA 69 Cb -0.15 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2vjv s ALA 69 CO -0.10 -0.05 0.09 0.34 0.00 0.00 0.00 175.76 176.04 2vjv s ASP 70 N -1.76 5.39 -0.03 0.00 -1.08 -0.27 -1.05 116.67 117.88 2vjv s ASP 70 Ca -0.07 -0.11 0.02 0.00 -0.52 0.00 0.00 52.55 51.86 2vjv s ASP 70 Cb -0.08 -1.97 0.01 0.00 -1.46 0.00 0.00 42.92 39.42 2vjv s ASP 70 CO -0.00 0.00 -0.09 -0.63 0.52 0.00 0.00 175.17 174.97 2vjv s ILE 71 N 1.40 0.79 0.09 4.11 1.01 0.10 -2.12 121.20 126.58 2vjv s ILE 71 Ca 0.06 -0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.06 2vjv s ILE 71 Cb -0.15 -0.72 -0.10 0.00 0.01 0.00 0.00 42.46 41.51 2vjv s ILE 71 CO 0.05 0.25 1.90 -0.62 0.00 0.00 0.00 174.94 176.53 2vjv s ASP 72 N 0.35 6.42 0.52 3.58 -1.08 -1.26 -4.36 116.67 120.85 2vjv s ASP 72 Ca -0.06 2.74 0.20 0.00 -0.52 0.00 0.00 52.55 54.91 2vjv s ASP 72 Cb -0.10 -2.55 1.37 0.00 -1.46 0.00 0.00 42.92 40.17 2vjv s ASP 72 CO 0.01 -1.04 2.13 1.55 0.52 0.00 0.00 175.17 178.35 2vjv h PRO 73 N 9.54 0.00 0.00 4.34 0.13 -1.95 -0.38 132.00 143.67 2vjv h PRO 73 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2vjv h PRO 73 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2vjv h PRO 73 CO 0.95 0.05 -0.46 0.77 -0.23 0.00 0.00 178.00 179.08 2vjv h SER 74 N 0.00 0.00 0.01 1.44 0.02 -2.01 -3.19 113.55 109.81 2vjv h SER 74 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2vjv h SER 74 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2vjv h SER 74 CO 0.01 0.46 -0.11 0.15 -1.14 0.00 0.00 176.83 176.20 2vjv h PHE 75 N 0.00 0.10 0.00 3.45 3.57 -1.49 -3.50 116.94 119.07 2vjv h PHE 75 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2vjv h PHE 75 Cb 1.11 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2vjv h PHE 75 CO 0.00 0.91 0.00 0.41 -2.23 0.00 0.00 178.31 177.40 2vjv n GLY 76 N 1.22 2.06 0.28 2.40 0.00 -0.59 -4.60 105.19 105.97 2vjv n GLY 76 Ca -0.10 -1.29 0.01 0.00 0.00 0.00 0.00 46.02 44.64 2vjv n GLY 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2vjv h VAL 77 N 0.00 1.17 0.00 1.61 3.04 -1.87 -1.99 116.25 118.21 2vjv h VAL 77 Ca 0.00 -0.60 -0.07 0.00 -1.01 0.00 0.00 66.70 65.02 2vjv h VAL 77 Cb 0.00 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 2vjv h VAL 77 CO 0.00 0.22 -0.32 0.24 -1.01 0.00 0.00 177.57 176.70 2vjv h MET 78 N 0.51 0.00 -0.39 4.17 2.86 -1.99 -1.08 114.93 119.02 2vjv h MET 78 Ca 0.12 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 2vjv h MET 78 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2vjv h MET 78 CO -0.00 0.32 -0.35 -0.22 1.06 0.00 0.00 176.91 177.72 2vjv h LYS 79 N 0.00 0.92 -0.20 1.72 3.64 -1.61 -1.30 116.57 119.74 2vjv h LYS 79 Ca -0.00 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2vjv h LYS 79 Cb 0.58 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2vjv h LYS 79 CO 0.04 1.13 0.05 0.35 -2.27 0.00 0.00 179.45 178.75 2vjv h PHE 80 N 0.74 0.33 -0.30 1.91 3.57 -1.30 -2.69 116.94 119.20 2vjv h PHE 80 Ca 0.07 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2vjv h PHE 80 Cb 0.94 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2vjv h PHE 80 CO 0.06 0.43 0.13 0.82 -2.23 0.00 0.00 178.31 177.52 2vjv h ILE 81 N 0.14 0.96 0.00 1.41 2.04 -1.09 0.83 117.51 121.80 2vjv h ILE 81 Ca 0.06 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2vjv h ILE 81 Cb 0.26 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2vjv h ILE 81 CO -0.00 0.05 -0.32 0.07 0.00 0.00 0.00 178.15 177.95 2vjv h LYS 82 N 0.28 0.00 0.08 2.37 2.10 -1.22 0.59 116.57 120.77 2vjv h LYS 82 Ca 0.13 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.54 2vjv h LYS 82 Cb 0.07 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.42 2vjv h LYS 82 CO -0.11 0.32 -0.99 1.15 -2.00 0.00 0.00 179.45 177.82 2vjv h THR 83 N 0.00 1.36 -0.42 0.07 2.02 -1.10 -0.12 112.91 114.72 2vjv h THR 83 Ca -0.00 -2.36 -0.02 0.00 0.77 0.00 0.00 66.41 64.80 2vjv h THR 83 Cb 0.58 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 69.71 2vjv h THR 83 CO 0.04 0.70 0.19 0.00 0.37 0.00 0.00 175.52 176.82 2vjv h ALA 84 N 0.27 0.55 0.03 6.16 0.00 -0.52 -0.56 119.26 125.18 2vjv h ALA 84 Ca -0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2vjv h ALA 84 Cb 1.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2vjv h ALA 84 CO 0.19 0.13 -0.02 0.87 0.00 0.00 0.00 179.25 180.42 2vjv h LYS 85 N 0.54 -0.04 -0.63 0.00 1.57 -0.93 -2.04 116.57 115.04 2vjv h LYS 85 Ca 0.14 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2vjv h LYS 85 Cb 0.15 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2vjv h LYS 85 CO -0.01 0.45 0.12 0.78 -0.57 0.00 0.00 179.45 180.22 2vjv h GLY 86 N -0.56 1.10 0.88 3.86 0.00 -1.01 -0.66 103.07 106.67 2vjv h GLY 86 Ca -0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.50 2vjv h GLY 86 CO 0.01 0.67 -0.26 -0.09 0.00 0.00 0.00 176.54 176.87 2vjv h ARG 87 N 0.94 0.56 -0.65 4.80 2.43 -1.18 -2.20 114.38 119.07 2vjv h ARG 87 Ca 0.19 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2vjv h ARG 87 Cb 0.41 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2vjv h ARG 87 CO 0.01 0.90 0.31 0.66 -1.51 0.00 0.00 179.97 180.34 2vjv h SER 88 N 0.24 0.83 0.37 -3.80 4.64 -1.26 -0.86 113.55 113.71 2vjv h SER 88 Ca 0.03 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2vjv h SER 88 Cb 0.82 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2vjv h SER 88 CO 0.06 0.70 -0.18 -1.28 -0.87 0.00 0.00 176.83 175.27 2vjv h SER 89 N 0.91 -0.43 -0.02 4.97 0.87 -1.03 0.58 113.55 119.42 2vjv h SER 89 Ca 0.23 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2vjv h SER 89 Cb 0.10 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2vjv h SER 89 CO -0.03 -0.17 -0.09 -0.09 -0.53 0.00 0.00 176.83 175.92 2vjv h ARG 90 N -0.68 -0.14 0.10 2.24 1.12 -1.23 -0.91 114.38 114.88 2vjv h ARG 90 Ca -0.05 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2vjv h ARG 90 Cb 0.48 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 2vjv h ARG 90 CO 0.08 -0.10 -0.05 0.82 -3.11 0.00 0.00 179.97 177.62 2vjv h ILE 91 N -0.15 1.02 -0.69 1.20 2.04 -1.11 -2.52 117.51 117.30 2vjv h ILE 91 Ca 0.04 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2vjv h ILE 91 Cb 0.20 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2vjv h ILE 91 CO -0.11 0.11 0.41 -0.07 0.00 0.00 0.00 178.15 178.50 2vjv h LEU 92 N -0.33 0.83 -1.17 1.44 3.38 -0.84 -0.89 115.31 117.72 2vjv h LEU 92 Ca -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2vjv h LEU 92 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2vjv h LEU 92 CO 0.02 0.64 -0.18 0.03 0.09 0.00 0.00 178.44 179.04 2vjv h ARG 93 N 0.95 0.00 0.18 1.13 3.08 -1.11 0.13 114.38 118.75 2vjv h ARG 93 Ca 0.25 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.99 2vjv h ARG 93 Cb -0.03 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.05 2vjv h ARG 93 CO -0.05 0.18 -1.31 1.96 -1.07 0.00 0.00 179.97 179.69 2vjv h GLN 94 N 0.00 0.57 0.00 0.04 4.20 -0.88 -3.37 115.11 115.67 2vjv h GLN 94 Ca -0.00 -0.85 -0.16 0.00 0.06 0.00 0.00 58.65 57.69 2vjv h GLN 94 Cb 0.70 0.30 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 2vjv h GLN 94 CO 0.02 1.40 -0.81 0.93 -0.67 0.00 0.00 178.83 179.70 2vjv h GLU 95 N 0.17 0.00 -3.42 1.46 5.08 -0.89 -3.40 114.58 113.57 2vjv h GLU 95 Ca -0.22 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.52 2vjv h GLU 95 Cb 2.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.85 2vjv h GLU 95 CO 0.25 0.70 -0.71 -0.06 -1.00 0.00 0.00 179.01 178.19 2vjv s PHE 96 N -2.84 2.55 0.39 4.33 0.40 0.43 -5.00 117.98 118.24 2vjv s PHE 96 Ca 0.02 -2.63 0.15 0.00 -0.60 0.00 0.00 56.93 53.87 2vjv s PHE 96 Cb 0.09 -2.28 1.00 0.00 0.51 0.00 0.00 43.02 42.33 2vjv s PHE 96 CO 0.78 -0.81 1.84 -0.97 0.70 0.00 0.00 175.22 176.76 2vjv h ASN 97 N 6.98 0.50 -0.04 1.36 -1.24 -1.79 -0.50 115.58 120.84 2vjv h ASN 97 Ca -0.05 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.02 2vjv h ASN 97 Cb 0.94 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.95 2vjv h ASN 97 CO 0.55 0.20 0.04 1.12 -1.29 0.00 0.00 177.43 178.04 2vjv h HIS 98 N 0.50 0.00 0.00 0.67 2.07 -1.94 0.17 115.15 116.61 2vjv h HIS 98 Ca 0.49 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.88 2vjv h HIS 98 Cb 1.10 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.06 2vjv h HIS 98 CO -0.00 0.00 -0.65 -0.07 -3.07 0.00 0.00 177.93 174.14 2vjv h LEU 99 N 0.00 0.00 0.11 6.12 3.38 -1.41 -2.70 115.31 120.80 2vjv h LEU 99 Ca 0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 2vjv h LEU 99 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2vjv h LEU 99 CO -0.00 0.65 -1.50 0.50 0.09 0.00 0.00 178.44 178.18 2vjv h LYS 100 N 0.00 0.23 0.00 1.13 1.63 -1.07 -3.29 116.57 115.20 2vjv h LYS 100 Ca -0.01 -0.39 -0.12 0.00 -0.85 0.00 0.00 60.65 59.28 2vjv h LYS 100 Cb 1.25 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 33.01 2vjv h LYS 100 CO 0.08 1.09 -0.93 1.79 -3.45 0.00 0.00 179.45 178.03 2vjv h THR 101 N 0.06 0.59 -0.01 1.00 1.35 -1.25 -3.36 112.91 111.29 2vjv h THR 101 Ca -0.23 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2vjv h THR 101 Cb 2.00 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 70.57 2vjv h THR 101 CO 0.16 0.33 -0.78 0.29 -0.25 0.00 0.00 175.52 175.27 2vjv n LYS 102 N -3.02 0.50 -4.09 4.72 5.02 -1.02 -4.96 118.16 115.32 2vjv n LYS 102 Ca -0.03 -0.42 -0.14 0.00 -2.02 0.00 0.00 58.31 55.70 2vjv n LYS 102 Cb 0.76 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 34.15 2vjv n LYS 102 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vjv s LEU 103 N -2.78 2.19 0.23 -0.35 1.43 -1.24 -5.03 118.68 113.12 2vjv s LEU 103 Ca 0.12 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2vjv s LEU 103 Cb 0.17 -0.19 0.17 0.00 0.03 0.00 0.00 46.19 46.37 2vjv s LEU 103 CO 0.75 -0.14 1.50 1.55 0.23 0.00 0.00 176.35 180.24 2vjv h PRO 104 N 4.88 0.00 -3.65 1.29 0.13 -1.87 -3.43 132.00 129.34 2vjv h PRO 104 Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2vjv h PRO 104 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2vjv h PRO 104 CO 0.43 0.73 -0.19 0.95 -0.23 0.00 0.00 178.00 179.69 2vjv s THR 105 N -3.28 0.06 -0.03 1.56 -4.23 -1.26 -5.07 115.64 103.39 2vjv s THR 105 Ca -0.00 -1.11 -0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2vjv s THR 105 Cb 0.11 -1.65 -0.32 0.00 1.34 0.00 0.00 72.50 71.98 2vjv s THR 105 CO 0.78 -0.28 0.79 0.25 -0.54 0.00 0.00 174.62 175.62 2vjv h LEU 106 N 2.44 0.64 0.00 4.79 5.85 -1.89 -3.42 115.31 123.72 2vjv h LEU 106 Ca -0.31 -0.92 -0.50 0.00 0.84 0.00 0.00 57.88 56.99 2vjv h LEU 106 Cb 1.24 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2vjv h LEU 106 CO 0.45 1.69 -0.25 0.79 -0.34 0.00 0.00 178.44 180.79 2vjv n TRP 107 N -3.76 -0.61 -3.48 1.25 7.02 -1.26 -0.65 117.44 115.94 2vjv n TRP 107 Ca -0.21 -2.01 -0.23 0.00 -1.02 0.00 0.00 57.50 54.03 2vjv n TRP 107 Cb 1.02 -0.38 0.03 0.00 -2.42 0.00 0.00 31.31 29.56 2vjv n TRP 107 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2vjv s THR 108 N -2.36 1.90 -2.11 -0.99 -4.23 -1.24 -4.26 115.64 102.35 2vjv s THR 108 Ca 0.25 -1.26 0.20 0.00 -1.18 0.00 0.00 61.69 59.71 2vjv s THR 108 Cb -0.02 -2.15 0.52 0.00 1.34 0.00 0.00 72.50 72.19 2vjv s THR 108 CO 0.16 0.00 1.68 -0.46 -0.54 0.00 0.00 174.62 175.46 2vjv n ASN 109 N -1.99 0.64 -4.54 3.99 6.94 -1.26 -4.92 115.26 114.12 2vjv n ASN 109 Ca 0.07 -1.50 -0.26 0.00 -0.02 0.00 0.00 54.58 52.86 2vjv n ASN 109 Cb 0.63 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.91 2vjv n ASN 109 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2vjv s SER 110 N -1.61 3.73 0.26 0.53 1.04 -1.26 -5.15 113.70 111.25 2vjv s SER 110 Ca 0.31 -1.19 -0.21 0.00 0.48 0.00 0.00 55.95 55.34 2vjv s SER 110 Cb 0.15 -0.35 0.02 0.00 0.10 0.00 0.00 66.02 65.95 2vjv s SER 110 CO 0.24 -0.20 0.69 0.00 0.98 0.00 0.00 173.24 174.95 2vjv s PHE 112 N -3.91 2.58 -0.02 0.00 5.36 0.24 -4.99 117.98 117.25 2vjv s PHE 112 Ca 0.11 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 2vjv s PHE 112 Cb -0.05 -1.61 0.03 0.00 -0.34 0.00 0.00 43.02 41.04 2vjv s PHE 112 CO 0.05 0.03 0.02 0.42 -1.46 0.00 0.00 175.22 174.28 2vjv s ILE 113 N -0.51 -0.02 -0.05 3.12 1.01 -1.26 -1.35 121.20 122.14 2vjv s ILE 113 Ca 0.07 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2vjv s ILE 113 Cb -0.11 -0.10 0.03 0.00 0.01 0.00 0.00 42.46 42.29 2vjv s ILE 113 CO 0.01 0.09 0.09 -0.55 0.00 0.00 0.00 174.94 174.58 2vjv s SER 114 N 0.98 0.19 0.64 3.58 0.15 -0.52 -4.96 113.70 113.75 2vjv s SER 114 Ca -0.08 0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.58 2vjv s SER 114 Cb -0.12 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2vjv s SER 114 CO -0.03 -0.16 1.11 0.42 1.20 0.00 0.00 173.24 175.79 2vjv s THR 115 N 1.35 3.24 0.10 6.45 -4.23 -1.26 -0.23 115.64 121.06 2vjv s THR 115 Ca -0.06 0.60 0.08 0.00 -1.18 0.00 0.00 61.69 61.12 2vjv s THR 115 Cb -0.12 -3.13 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 2vjv s THR 115 CO -0.04 -0.33 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.82 2vjv s VAL 116 N -2.27 1.58 0.12 2.29 1.01 0.04 -4.83 120.40 118.35 2vjv s VAL 116 Ca 0.68 -1.51 -0.35 0.00 0.00 0.00 0.00 61.98 60.79 2vjv s VAL 116 Cb -0.21 -1.47 -0.15 0.00 0.00 0.00 0.00 36.38 34.55 2vjv s VAL 116 CO 0.40 -0.11 1.43 0.61 0.00 0.00 0.00 175.10 177.42 2vjv n GLY 117 N 1.08 0.73 0.22 4.51 0.00 -1.26 -4.22 105.19 106.25 2vjv n GLY 117 Ca -0.20 0.67 0.10 0.00 0.00 0.00 0.00 46.02 46.59 2vjv n GLY 117 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vjv h GLY 118 N 5.06 0.00 -3.04 -0.02 0.00 -1.92 -3.45 103.07 99.69 2vjv h GLY 118 Ca -0.46 0.00 0.10 0.00 0.00 0.00 0.00 47.33 46.97 2vjv h GLY 118 CO 0.82 0.00 0.44 0.00 0.00 0.00 0.00 176.54 177.80 2vjv s ALA 119 N -3.73 -1.74 0.74 3.60 0.00 -1.26 -4.87 121.76 114.50 2vjv s ALA 119 Ca -0.00 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 2vjv s ALA 119 Cb 0.11 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.82 2vjv s ALA 119 CO 0.64 -0.79 1.21 -1.25 0.00 0.00 0.00 175.76 175.57 2vjv s PRO 120 N -3.27 2.10 0.25 0.00 0.04 -1.26 -4.69 135.00 128.16 2vjv s PRO 120 Ca 0.06 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2vjv s PRO 120 Cb -0.01 -1.83 0.50 0.00 0.04 0.00 0.00 34.50 33.20 2vjv s PRO 120 CO -0.07 -1.87 1.68 1.25 0.04 0.00 0.00 177.00 178.03 2vjv h LEU 121 N -0.33 0.00 -1.79 -3.56 5.85 -2.01 -0.49 115.31 112.98 2vjv h LEU 121 Ca -0.48 0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.54 2vjv h LEU 121 Cb 1.30 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 2vjv h LEU 121 CO 0.49 -0.06 0.41 -0.55 -0.34 0.00 0.00 178.44 178.40 2vjv h ASN 122 N 0.26 0.20 0.02 1.25 -1.07 -2.01 -1.22 115.58 113.01 2vjv h ASN 122 Ca 0.44 0.01 -0.12 0.00 0.07 0.00 0.00 56.30 56.70 2vjv h ASN 122 Cb 0.78 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 36.98 2vjv h ASN 122 CO -0.54 0.11 -0.60 0.58 0.07 0.00 0.00 177.43 177.05 2vjv h VAL 123 N 0.22 1.42 -0.47 6.14 2.07 -1.46 -3.37 116.25 120.80 2vjv h VAL 123 Ca 0.29 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2vjv h VAL 123 Cb 0.83 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 2vjv h VAL 123 CO -0.05 0.54 0.30 1.62 0.02 0.00 0.00 177.57 179.99 2vjv h VAL 124 N -0.88 1.13 -0.89 2.57 3.04 -1.08 -2.77 116.25 117.38 2vjv h VAL 124 Ca -0.15 -0.25 0.21 0.00 -1.01 0.00 0.00 66.70 65.49 2vjv h VAL 124 Cb 1.23 0.45 -0.12 0.00 -2.01 0.00 0.00 31.29 30.83 2vjv h VAL 124 CO -0.05 0.13 0.40 0.11 -1.01 0.00 0.00 177.57 177.15 2vjv h LYS 125 N 0.64 0.41 -0.66 4.17 1.57 -1.38 0.91 116.57 122.23 2vjv h LYS 125 Ca 0.17 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.03 2vjv h LYS 125 Cb -0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 2vjv h LYS 125 CO -0.04 0.27 0.44 0.37 -0.57 0.00 0.00 179.45 179.93 2vjv h GLN 126 N 0.42 0.45 0.00 3.15 4.15 -1.68 -1.64 115.11 119.96 2vjv h GLN 126 Ca 0.55 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.94 2vjv h GLN 126 Cb 1.01 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.60 2vjv h GLN 126 CO -0.51 0.30 -1.03 0.66 -1.93 0.00 0.00 178.83 176.32 2vjv n TYR 127 N -4.48 0.93 0.05 3.99 4.02 0.28 -4.43 117.16 117.54 2vjv n TYR 127 Ca 0.11 0.27 0.01 0.00 -0.01 0.00 0.00 57.90 58.28 2vjv n TYR 127 Cb 0.39 -0.94 -0.01 0.00 -0.02 0.00 0.00 39.34 38.76 2vjv n TYR 127 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2vjv n ILE 128 N -2.65 0.00 -0.02 -0.72 -5.35 -1.01 -4.90 119.36 104.71 2vjv n ILE 128 Ca -0.00 -0.29 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 2vjv n ILE 128 Cb 0.55 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.21 2vjv n ILE 128 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2vjv n GLU 129 N -1.26 0.09 0.00 6.28 0.28 -0.64 -5.08 120.64 120.32 2vjv n GLU 129 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2vjv n GLU 129 Cb 0.04 -0.90 0.00 0.00 1.43 0.00 0.00 31.44 32.01 2vjv n GLU 129 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06