#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vig s ASN 7 N 0.00 -0.15 0.31 7.28 3.04 -1.26 -5.15 114.94 119.00 1vig s ASN 7 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 52.86 53.08 1vig s ASN 7 Cb 0.00 1.16 0.00 0.00 -1.54 0.00 0.00 41.25 40.87 1vig s ASN 7 CO 0.00 -0.03 0.00 0.54 -3.04 0.00 0.00 177.10 174.57 1vig n ARG 8 N 4.80 -2.15 -3.65 0.43 1.74 -1.26 -4.96 116.66 111.62 1vig n ARG 8 Ca -0.07 1.42 -0.00 0.00 -0.77 0.00 0.00 57.85 58.42 1vig n ARG 8 Cb 0.55 -2.62 -0.06 0.00 -1.02 0.00 0.00 32.46 29.31 1vig n ARG 8 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1vig s MET 9 N -1.82 0.18 0.28 5.56 1.75 -1.26 -4.99 119.30 118.99 1vig s MET 9 Ca 0.00 0.29 0.09 0.00 -1.25 0.00 0.00 55.69 54.82 1vig s MET 9 Cb 0.00 0.05 -0.05 0.00 2.84 0.00 0.00 34.83 37.66 1vig s MET 9 CO 0.00 -0.03 -0.13 0.16 -0.65 0.00 0.00 175.02 174.37 1vig s ASP 10 N 0.95 3.21 -0.19 1.11 1.47 -0.39 -4.94 116.67 117.89 1vig s ASP 10 Ca -0.06 -1.11 -0.25 0.00 1.18 0.00 0.00 52.55 52.32 1vig s ASP 10 Cb -0.03 -0.24 0.07 0.00 -0.34 0.00 0.00 42.92 42.37 1vig s ASP 10 CO -0.12 -0.15 0.66 -0.72 0.68 0.00 0.00 175.17 175.52 1vig s TYR 11 N -2.75 -0.70 -0.10 2.11 -0.85 -1.26 -1.38 117.35 112.41 1vig s TYR 11 Ca 0.29 1.59 -0.18 0.00 -0.52 0.00 0.00 57.07 58.24 1vig s TYR 11 Cb -0.00 0.29 0.04 0.00 0.38 0.00 0.00 41.96 42.67 1vig s TYR 11 CO 0.13 -0.42 0.45 0.14 -1.52 0.00 0.00 175.55 174.33 1vig s VAL 12 N -0.08 0.02 -0.02 -3.49 -7.23 0.11 -4.98 120.40 104.72 1vig s VAL 12 Ca -0.03 -0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.06 1vig s VAL 12 Cb -0.04 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 1vig s VAL 12 CO 0.03 -0.08 -0.24 -1.83 -0.31 0.00 0.00 175.10 172.67 1vig s GLU 13 N -0.48 1.99 -0.05 4.82 -1.05 -1.26 -1.00 118.70 121.66 1vig s GLU 13 Ca -0.06 -0.85 0.04 0.00 -0.15 0.00 0.00 54.97 53.94 1vig s GLU 13 Cb -0.03 -1.89 -0.03 0.00 -0.44 0.00 0.00 34.13 31.74 1vig s GLU 13 CO 0.03 0.50 -0.14 0.96 0.95 0.00 0.00 175.26 177.55 1vig s ILE 14 N -0.51 3.06 0.07 1.83 -4.36 -0.67 -4.95 121.20 115.68 1vig s ILE 14 Ca 0.08 -0.73 -0.30 0.00 -0.26 0.00 0.00 60.65 59.43 1vig s ILE 14 Cb -0.10 -2.20 -0.06 0.00 1.25 0.00 0.00 42.46 41.36 1vig s ILE 14 CO -0.00 0.59 1.15 0.20 0.24 0.00 0.00 174.94 177.11 1vig s ASN 15 N -0.74 7.16 -0.02 4.36 -0.87 -1.26 -0.97 114.94 122.59 1vig s ASN 15 Ca 0.12 1.98 -0.05 0.00 -1.57 0.00 0.00 52.86 53.33 1vig s ASN 15 Cb -0.11 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 1vig s ASN 15 CO 0.01 -0.39 0.10 -0.63 -2.57 0.00 0.00 177.10 173.62 1vig s ILE 16 N 0.80 0.05 -0.36 0.60 -1.09 -0.97 -4.91 121.20 115.31 1vig s ILE 16 Ca 0.56 -0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1vig s ILE 16 Cb -0.28 -0.29 0.20 0.00 -1.58 0.00 0.00 42.46 40.50 1vig s ILE 16 CO 0.30 -0.23 0.97 1.51 -1.23 0.00 0.00 174.94 176.26 1vig s ASP 17 N -0.76 -0.59 0.00 3.58 1.47 -1.26 -0.85 116.67 118.26 1vig s ASP 17 Ca -0.08 -0.47 0.00 0.00 1.18 0.00 0.00 52.55 53.18 1vig s ASP 17 Cb -0.05 0.77 0.00 0.00 -0.34 0.00 0.00 42.92 43.30 1vig s ASP 17 CO 0.01 -0.05 0.00 1.57 0.68 0.00 0.00 175.17 177.38 1vig n HIS 18 N 3.36 0.00 -2.32 2.11 -0.00 -1.26 -4.94 115.22 112.17 1vig n HIS 18 Ca 0.09 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.12 1vig n HIS 18 Cb 0.62 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.48 1vig n HIS 18 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vig n LYS 19 N 0.00 -1.93 0.33 1.57 5.02 -1.26 -4.87 118.16 117.03 1vig n LYS 19 Ca 0.00 0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 56.92 1vig n LYS 19 Cb 0.00 -5.39 -0.09 0.00 -0.02 0.00 0.00 35.03 29.54 1vig n LYS 19 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1vig h PHE 20 N 0.00 -0.76 -0.78 2.13 -1.00 -1.96 -3.16 116.94 111.41 1vig h PHE 20 Ca -0.37 -0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.49 1vig h PHE 20 Cb 1.25 0.25 -0.12 0.00 3.61 0.00 0.00 35.95 40.95 1vig h PHE 20 CO 0.62 -0.44 -0.49 0.45 -1.61 0.00 0.00 178.31 176.84 1vig h HIS 21 N -0.92 -1.47 -1.29 -0.55 3.86 -1.97 1.34 115.15 114.16 1vig h HIS 21 Ca -0.08 0.10 0.37 0.00 -1.16 0.00 0.00 60.37 59.60 1vig h HIS 21 Cb 0.66 0.75 -0.07 0.00 1.06 0.00 0.00 27.41 29.81 1vig h HIS 21 CO -0.02 -0.41 0.89 0.00 0.86 0.00 0.00 177.93 179.26 1vig h ARG 22 N -0.13 0.10 0.00 2.45 2.47 -1.88 0.35 114.38 117.74 1vig h ARG 22 Ca 0.20 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1vig h ARG 22 Cb 0.53 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1vig h ARG 22 CO -0.82 0.07 -0.33 1.25 0.56 0.00 0.00 179.97 180.69 1vig h HIS 23 N 0.10 0.00 -0.94 3.04 2.76 0.11 -1.43 115.15 118.79 1vig h HIS 23 Ca 0.66 0.00 0.24 0.00 -2.20 0.00 0.00 60.37 59.07 1vig h HIS 23 Cb 2.36 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 31.14 1vig h HIS 23 CO -0.00 0.00 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.55 1vig h LEU 24 N -0.86 -0.51 0.09 0.26 4.07 0.20 -0.53 115.31 118.04 1vig h LEU 24 Ca 0.00 0.27 -0.33 0.00 0.08 0.00 0.00 57.88 57.89 1vig h LEU 24 Cb 0.33 0.47 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1vig h LEU 24 CO 0.00 -0.31 -1.81 0.16 -1.08 0.00 0.00 178.44 175.40 1vig h ILE 25 N 0.03 0.81 0.00 1.22 3.07 -0.52 -3.40 117.51 118.72 1vig h ILE 25 Ca 0.55 -2.54 0.00 0.00 1.55 0.00 0.00 64.86 64.42 1vig h ILE 25 Cb 1.07 2.55 0.00 0.00 -0.27 0.00 0.00 36.82 40.17 1vig h ILE 25 CO -0.88 0.77 0.00 0.61 -1.05 0.00 0.00 178.15 177.60 1vig n GLY 26 N 1.80 1.71 3.25 0.16 0.00 -0.21 -3.38 105.19 108.51 1vig n GLY 26 Ca -0.24 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 1vig n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vig s LYS 27 N 0.00 3.10 0.00 1.61 -2.85 -1.26 -4.73 119.74 115.61 1vig s LYS 27 Ca 0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 1vig s LYS 27 Cb 0.00 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.78 1vig s LYS 27 CO 0.00 -0.30 0.00 0.45 0.10 0.00 0.00 175.35 175.60 1vig n SER 28 N 4.73 0.00 0.00 0.03 2.88 -1.26 -4.43 113.62 115.57 1vig n SER 28 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1vig n SER 28 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1vig n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vig n GLY 29 N 0.00 2.57 0.37 0.46 0.00 -1.26 -5.05 105.19 102.28 1vig n GLY 29 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1vig n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vig n ALA 30 N 0.00 2.23 -0.17 4.61 0.00 -1.22 -4.85 120.51 121.11 1vig n ALA 30 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1vig n ALA 30 Cb 0.00 0.19 0.07 0.00 0.00 0.00 0.00 19.45 19.71 1vig n ALA 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vig h ASN 31 N 0.00 -0.17 -0.75 0.00 2.35 -1.77 0.18 115.58 115.43 1vig h ASN 31 Ca 0.00 0.12 0.22 0.00 -0.55 0.00 0.00 56.30 56.09 1vig h ASN 31 Cb 0.38 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 1vig h ASN 31 CO 0.00 -0.06 0.74 0.16 -1.65 0.00 0.00 177.43 176.62 1vig h ILE 32 N 0.15 0.28 0.07 2.81 -2.65 -1.89 1.23 117.51 117.51 1vig h ILE 32 Ca 0.27 0.00 -0.26 0.00 1.03 0.00 0.00 64.86 65.90 1vig h ILE 32 Cb 0.41 0.42 -0.02 0.00 -2.05 0.00 0.00 36.82 35.59 1vig h ILE 32 CO -0.42 0.00 -1.27 -1.13 0.03 0.00 0.00 178.15 175.36 1vig h ASN 33 N 0.00 0.22 0.55 2.16 -0.00 -0.97 -1.99 115.58 115.56 1vig h ASN 33 Ca 0.36 -0.27 -0.03 0.00 -0.00 0.00 0.00 56.30 56.36 1vig h ASN 33 Cb 1.84 -0.07 0.01 0.00 -0.00 0.00 0.00 38.32 40.09 1vig h ASN 33 CO -0.00 1.22 -0.27 0.03 -0.00 0.00 0.00 177.43 178.41 1vig h ARG 34 N 0.04 -0.72 0.47 6.67 2.47 0.18 -1.78 114.38 121.71 1vig h ARG 34 Ca -0.13 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1vig h ARG 34 Cb 1.91 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 30.40 1vig h ARG 34 CO 0.16 -0.42 -0.22 0.82 0.56 0.00 0.00 179.97 180.86 1vig h ILE 35 N -0.91 0.46 -1.62 2.04 5.03 -1.47 0.38 117.51 121.42 1vig h ILE 35 Ca -0.08 -0.40 0.48 0.00 -0.12 0.00 0.00 64.86 64.75 1vig h ILE 35 Cb 0.63 0.62 -0.08 0.00 -3.03 0.00 0.00 36.82 34.96 1vig h ILE 35 CO 0.13 0.06 1.14 0.50 -0.68 0.00 0.00 178.15 179.30 1vig h LYS 36 N -0.89 0.03 0.04 2.37 3.64 -1.43 1.12 116.57 121.45 1vig h LYS 36 Ca -0.06 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.98 1vig h LYS 36 Cb 0.58 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1vig h LYS 36 CO 0.10 0.02 -1.96 -3.47 -2.27 0.00 0.00 179.45 171.88 1vig n ASP 37 N -4.19 1.26 0.23 4.20 2.03 -0.67 -1.64 116.55 117.76 1vig n ASP 37 Ca 0.38 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.84 1vig n ASP 37 Cb 1.68 -0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 41.82 1vig n ASP 37 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1vig h GLN 38 N 0.02 -0.59 -0.42 -0.67 5.75 0.54 -3.24 115.11 116.50 1vig h GLN 38 Ca -0.39 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 1vig h GLN 38 Cb 2.04 0.13 0.00 0.00 1.07 0.00 0.00 27.48 30.73 1vig h GLN 38 CO 0.06 -0.39 0.00 0.66 -2.65 0.00 0.00 178.83 176.51 1vig n TYR 39 N -4.45 0.53 -4.16 3.99 4.02 0.13 -4.90 117.16 112.32 1vig n TYR 39 Ca -0.08 -0.24 -0.35 0.00 -0.01 0.00 0.00 57.90 57.23 1vig n TYR 39 Cb 0.24 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.49 1vig n TYR 39 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1vig n LYS 40 N 0.43 -3.49 -2.44 -0.72 4.81 -1.06 -4.47 118.16 111.21 1vig n LYS 40 Ca 0.11 0.40 -0.10 0.00 -0.87 0.00 0.00 58.31 57.85 1vig n LYS 40 Cb 0.35 -5.09 -0.00 0.00 0.02 0.00 0.00 35.03 30.31 1vig n LYS 40 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1vig n VAL 41 N -4.43 0.00 -3.58 3.15 0.24 -0.65 -4.28 118.33 108.79 1vig n VAL 41 Ca 0.03 -0.86 -0.28 0.00 -2.04 0.00 0.00 64.34 61.20 1vig n VAL 41 Cb 0.51 -0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.49 1vig n VAL 41 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1vig s SER 42 N -2.25 2.74 0.18 -1.34 0.01 0.16 -4.30 113.70 108.90 1vig s SER 42 Ca 0.11 -3.18 -0.30 0.00 1.31 0.00 0.00 55.95 53.89 1vig s SER 42 Cb -0.01 -0.84 -0.08 0.00 0.21 0.00 0.00 66.02 65.30 1vig s SER 42 CO 0.07 -0.17 1.17 0.54 0.41 0.00 0.00 173.24 175.27 1vig s VAL 43 N -0.27 3.64 -0.44 3.43 0.11 -1.26 -2.30 120.40 123.30 1vig s VAL 43 Ca 0.28 1.39 0.02 0.00 -2.93 0.00 0.00 61.98 60.74 1vig s VAL 43 Cb -0.03 -3.89 0.13 0.00 -1.53 0.00 0.00 36.38 31.06 1vig s VAL 43 CO -0.15 0.23 0.24 -0.13 -3.33 0.00 0.00 175.10 171.95 1vig s ARG 44 N -0.27 1.32 -0.29 1.54 0.52 0.14 -4.98 118.95 116.93 1vig s ARG 44 Ca 0.52 -2.04 -0.29 0.00 -0.52 0.00 0.00 55.73 53.41 1vig s ARG 44 Cb -0.32 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.75 1vig s ARG 44 CO 0.36 -1.16 1.53 0.42 0.02 0.00 0.00 175.30 176.48 1vig s ILE 45 N 0.32 3.80 -0.48 1.52 -1.09 -1.26 -2.11 121.20 121.91 1vig s ILE 45 Ca 0.18 0.88 -0.26 0.00 -2.23 0.00 0.00 60.65 59.21 1vig s ILE 45 Cb -0.24 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1vig s ILE 45 CO 0.00 -0.44 0.98 -2.16 -1.23 0.00 0.00 174.94 172.09 1vig s PRO 46 N 4.76 3.56 -0.02 2.79 0.04 -1.26 -4.93 135.00 139.94 1vig s PRO 46 Ca 0.67 0.22 -0.22 0.00 0.04 0.00 0.00 61.00 61.72 1vig s PRO 46 Cb -0.20 -3.93 -0.23 0.00 0.04 0.00 0.00 34.50 30.17 1vig s PRO 46 CO 0.29 -1.29 1.08 -1.00 0.04 0.00 0.00 177.00 176.12 1vig h PRO 47 N 9.15 0.32 -6.19 0.56 0.13 -2.00 -3.42 132.00 130.55 1vig h PRO 47 Ca -0.24 -0.33 -0.52 0.00 -0.87 0.00 0.00 66.00 64.04 1vig h PRO 47 Cb 1.07 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1vig h PRO 47 CO 1.06 1.02 1.22 0.16 -0.23 0.00 0.00 178.00 181.23 1vig s ASP 48 N -6.56 5.72 0.32 1.44 -4.77 -1.26 -4.28 116.67 107.28 1vig s ASP 48 Ca -0.14 0.19 0.00 0.00 -3.30 0.00 0.00 52.55 49.30 1vig s ASP 48 Cb 0.03 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 1vig s ASP 48 CO 0.79 -2.05 0.00 -1.20 0.70 0.00 0.00 175.17 173.40 1vig n SER 49 N 11.06 -2.90 -2.33 2.11 7.64 -1.26 -5.10 113.62 122.84 1vig n SER 49 Ca 0.14 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1vig n SER 49 Cb 0.50 2.83 0.00 0.00 -1.01 0.00 0.00 64.21 66.54 1vig n SER 49 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1vig n GLU 50 N -3.23 -4.96 -1.31 1.43 0.00 -1.26 -4.92 120.64 106.39 1vig n GLU 50 Ca 0.00 3.58 0.00 0.00 0.00 0.00 0.00 57.16 60.74 1vig n GLU 50 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 31.44 26.95 1vig n GLU 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1vig n LYS 51 N 1.88 -3.36 -2.96 5.31 4.01 -1.26 -4.89 118.16 116.88 1vig n LYS 51 Ca 0.00 2.49 -0.09 0.00 -0.51 0.00 0.00 58.31 60.20 1vig n LYS 51 Cb 0.00 -2.61 0.01 0.00 -0.51 0.00 0.00 35.03 31.92 1vig n LYS 51 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1vig n SER 52 N 0.64 -7.42 -4.97 4.39 7.64 -1.26 -5.02 113.62 107.62 1vig n SER 52 Ca 0.00 0.70 -0.20 0.00 1.01 0.00 0.00 58.87 60.38 1vig n SER 52 Cb 0.00 -4.28 0.06 0.00 -1.01 0.00 0.00 64.21 58.98 1vig n SER 52 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1vig s ASN 53 N -1.90 5.09 -0.35 6.43 -0.87 -0.02 -5.00 114.94 118.31 1vig s ASN 53 Ca 0.16 -0.65 0.07 0.00 -1.57 0.00 0.00 52.86 50.87 1vig s ASN 53 Cb -0.03 0.01 0.19 0.00 -0.02 0.00 0.00 41.25 41.39 1vig s ASN 53 CO 0.69 -1.31 0.60 -0.76 -2.57 0.00 0.00 177.10 173.75 1vig s LEU 54 N -4.69 -1.54 0.23 0.60 1.43 -1.26 -2.30 118.68 111.14 1vig s LEU 54 Ca 0.61 -0.32 -0.32 0.00 -1.03 0.00 0.00 54.13 53.07 1vig s LEU 54 Cb -0.07 1.96 -0.13 0.00 0.03 0.00 0.00 46.19 47.98 1vig s LEU 54 CO 0.39 -0.24 1.49 -0.38 0.23 0.00 0.00 176.35 177.84 1vig n ILE 55 N 4.92 0.70 -3.55 -0.59 5.41 -0.14 -4.75 119.36 121.35 1vig n ILE 55 Ca 0.08 -0.18 -0.41 0.00 1.00 0.00 0.00 62.75 63.24 1vig n ILE 55 Cb 0.55 -1.59 -0.11 0.00 -0.71 0.00 0.00 39.64 37.78 1vig n ILE 55 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1vig s ARG 56 N -0.05 2.95 -0.08 0.38 3.00 -0.90 -1.66 118.95 122.58 1vig s ARG 56 Ca 0.70 -1.01 0.02 0.00 0.00 0.00 0.00 55.73 55.44 1vig s ARG 56 Cb -0.63 -3.81 -0.02 0.00 0.00 0.00 0.00 34.95 30.50 1vig s ARG 56 CO 0.46 -0.68 -0.12 0.42 0.00 0.00 0.00 175.30 175.38 1vig s ILE 57 N 1.61 3.22 -0.14 1.52 -1.09 -0.17 0.25 121.20 126.39 1vig s ILE 57 Ca 0.03 -0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 1vig s ILE 57 Cb -0.19 -2.30 0.05 0.00 -1.58 0.00 0.00 42.46 38.44 1vig s ILE 57 CO 0.08 0.57 0.35 -0.70 -1.23 0.00 0.00 174.94 174.01 1vig s GLU 58 N -0.40 0.36 0.00 2.79 2.12 -0.97 0.05 118.70 122.65 1vig s GLU 58 Ca 0.05 0.62 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1vig s GLU 58 Cb -0.12 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.31 1vig s GLU 58 CO 0.02 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1vig n GLY 59 N 3.73 0.93 3.06 -1.50 0.00 -0.48 0.38 105.19 111.30 1vig n GLY 59 Ca -0.20 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1vig n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vig n ASP 60 N 0.00 -2.71 -1.56 1.61 2.03 -1.26 -1.26 116.55 113.40 1vig n ASP 60 Ca 0.00 -0.19 -0.02 0.00 0.52 0.00 0.00 54.79 55.10 1vig n ASP 60 Cb 0.00 -0.74 0.22 0.00 -0.72 0.00 0.00 41.12 39.89 1vig n ASP 60 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1vig n PRO 61 N -0.59 3.05 0.00 -0.67 -0.04 -1.26 -3.33 135.00 132.16 1vig n PRO 61 Ca 0.02 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1vig n PRO 61 Cb 0.48 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1vig n PRO 61 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1vig n GLN 62 N 0.09 0.00 0.10 0.54 6.02 -1.26 -4.83 117.38 118.04 1vig n GLN 62 Ca 0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.20 1vig n GLN 62 Cb 1.02 -0.09 0.11 0.00 1.02 0.00 0.00 30.24 32.29 1vig n GLN 62 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1vig h GLY 63 N 0.00 0.18 1.47 1.08 0.00 -1.80 -1.06 103.07 102.94 1vig h GLY 63 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 47.33 46.88 1vig h GLY 63 CO 0.00 0.22 -0.79 -0.24 0.00 0.00 0.00 176.54 175.73 1vig h VAL 64 N 0.12 1.35 -0.00 4.60 3.04 -1.77 0.04 116.25 123.62 1vig h VAL 64 Ca -0.01 -2.15 -0.17 0.00 -1.01 0.00 0.00 66.70 63.36 1vig h VAL 64 Cb 1.18 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 32.58 1vig h VAL 64 CO 0.10 0.66 -0.77 0.06 -1.01 0.00 0.00 177.57 176.60 1vig h GLN 65 N 0.34 0.04 -0.03 4.17 3.07 -1.76 0.13 115.11 121.06 1vig h GLN 65 Ca -0.05 -0.04 -0.11 0.00 0.09 0.00 0.00 58.65 58.55 1vig h GLN 65 Cb 1.39 0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.97 1vig h GLN 65 CO 0.14 0.79 -0.40 1.96 0.09 0.00 0.00 178.83 181.42 1vig h GLN 66 N 0.02 0.32 -0.26 0.06 4.20 -1.12 -2.38 115.11 115.95 1vig h GLN 66 Ca -0.01 -0.31 -0.15 0.00 0.06 0.00 0.00 58.65 58.24 1vig h GLN 66 Cb 1.36 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1vig h GLN 66 CO 0.10 0.98 -0.46 0.00 -0.67 0.00 0.00 178.83 178.79 1vig h ALA 67 N 0.35 0.71 0.19 3.87 0.00 -1.01 -0.77 119.26 122.59 1vig h ALA 67 Ca -0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1vig h ALA 67 Cb 1.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1vig h ALA 67 CO 0.08 0.67 -0.11 -0.22 0.00 0.00 0.00 179.25 179.67 1vig h LYS 68 N 0.53 -0.28 -0.18 0.00 3.64 -0.79 0.14 116.57 119.63 1vig h LYS 68 Ca 0.03 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1vig h LYS 68 Cb 1.00 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1vig h LYS 68 CO 0.09 -0.18 -0.24 0.00 -2.27 0.00 0.00 179.45 176.85 1vig h ARG 69 N -0.29 0.32 -0.30 1.90 3.08 -1.41 -2.44 114.38 115.24 1vig h ARG 69 Ca -0.02 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1vig h ARG 69 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1vig h ARG 69 CO 0.02 0.55 -0.16 1.49 -1.07 0.00 0.00 179.97 180.80 1vig h GLU 70 N 0.29 0.54 0.13 0.04 4.57 -0.62 -1.70 114.58 117.83 1vig h GLU 70 Ca 0.05 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1vig h GLU 70 Cb 0.59 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1vig h GLU 70 CO 0.04 0.68 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.42 1vig h LEU 71 N 0.49 -0.15 -2.62 1.64 3.38 -0.30 0.41 115.31 118.16 1vig h LEU 71 Ca 0.08 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1vig h LEU 71 Cb 0.56 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1vig h LEU 71 CO 0.04 0.29 -0.00 0.25 0.09 0.00 0.00 178.44 179.10 1vig h LEU 72 N -0.64 0.00 0.00 1.67 6.46 -1.40 0.37 115.31 121.77 1vig h LEU 72 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1vig h LEU 72 Cb 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1vig h LEU 72 CO 0.03 0.00 0.00 -0.62 -0.62 0.00 0.00 178.44 177.24 1vig n GLU 73 N -3.58 0.00 0.08 1.25 -0.58 -0.65 -4.73 120.64 112.43 1vig n GLU 73 Ca -0.03 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.55 1vig n GLU 73 Cb 0.08 -0.24 -0.08 0.00 -0.57 0.00 0.00 31.44 30.64 1vig n GLU 73 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1vig h LEU 74 N 0.00 0.61 -2.52 -4.62 3.38 -1.06 -3.49 115.31 107.61 1vig h LEU 74 Ca 0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1vig h LEU 74 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1vig h LEU 74 CO 0.00 1.34 -0.18 0.00 0.09 0.00 0.00 178.44 179.69 1vig n ALA 75 N -2.57 -2.63 -0.53 1.53 0.00 0.13 -4.99 120.51 111.44 1vig n ALA 75 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1vig n ALA 75 Cb 0.90 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1vig n ALA 75 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37