#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 s VAL 2 N 0.00 4.55 0.26 1.12 0.11 -1.26 -0.06 120.40 125.13 1vs7 s VAL 2 Ca 0.00 1.86 0.01 0.00 -2.93 0.00 0.00 61.98 60.93 1vs7 s VAL 2 Cb 0.00 -4.20 -0.04 0.00 -1.53 0.00 0.00 36.38 30.61 1vs7 s VAL 2 CO 0.00 -0.10 0.14 0.42 -3.33 0.00 0.00 175.10 172.24 1vs7 s THR 3 N 2.80 0.25 -0.22 5.04 -4.23 0.70 -2.20 115.64 117.78 1vs7 s THR 3 Ca 0.49 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1vs7 s THR 3 Cb -0.19 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1vs7 s THR 3 CO 0.13 0.00 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.54 1vs7 s ILE 4 N -3.83 3.35 0.25 2.99 1.01 -1.22 -0.25 121.20 123.50 1vs7 s ILE 4 Ca 0.38 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1vs7 s ILE 4 Cb 0.06 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1vs7 s ILE 4 CO 0.15 0.42 0.18 0.00 0.00 0.00 0.00 174.94 175.70 1vs7 s ARG 5 N 1.48 1.42 -0.02 2.79 1.70 -0.76 -1.29 118.95 124.27 1vs7 s ARG 5 Ca 0.06 -1.79 -0.11 0.00 -0.47 0.00 0.00 55.73 53.43 1vs7 s ARG 5 Cb -0.14 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1vs7 s ARG 5 CO -0.03 -0.48 0.32 -0.51 -1.08 0.00 0.00 175.30 173.51 1vs7 s LEU 6 N -3.25 4.42 -0.39 -1.89 1.02 -1.26 0.03 118.68 117.36 1vs7 s LEU 6 Ca 0.39 0.75 0.04 0.00 0.02 0.00 0.00 54.13 55.33 1vs7 s LEU 6 Cb 0.05 -2.54 0.11 0.00 0.02 0.00 0.00 46.19 43.84 1vs7 s LEU 6 CO 0.18 0.31 0.12 0.00 0.02 0.00 0.00 176.35 176.98 1vs7 s ALA 7 N -1.15 2.89 -0.20 4.21 0.00 -1.26 -4.86 121.76 121.39 1vs7 s ALA 7 Ca 0.24 -2.69 -0.41 0.00 0.00 0.00 0.00 51.96 49.10 1vs7 s ALA 7 Cb -0.14 -2.00 -0.17 0.00 0.00 0.00 0.00 23.12 20.80 1vs7 s ALA 7 CO 0.12 -1.80 1.53 -2.13 0.00 0.00 0.00 175.76 173.49 1vs7 n ARG 8 N 3.94 0.77 -1.57 0.00 0.63 -1.26 -2.94 116.66 116.23 1vs7 n ARG 8 Ca 0.04 0.28 0.04 0.00 -0.92 0.00 0.00 57.85 57.29 1vs7 n ARG 8 Cb 0.39 -1.89 0.02 0.00 0.45 0.00 0.00 32.46 31.43 1vs7 n ARG 8 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1vs7 n HIS 9 N 3.92 0.06 -4.43 -0.14 8.25 -0.29 -4.92 115.22 117.68 1vs7 n HIS 9 Ca 0.25 -0.58 -0.31 0.00 -0.26 0.00 0.00 57.72 56.81 1vs7 n HIS 9 Cb 0.10 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.95 1vs7 n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1vs7 s GLY 10 N -2.09 1.74 1.14 -1.41 0.00 -1.24 -4.52 107.32 100.95 1vs7 s GLY 10 Ca 0.34 -1.08 -0.18 0.00 0.00 0.00 0.00 44.72 43.80 1vs7 s GLY 10 CO -0.16 -0.97 0.19 0.00 0.00 0.00 0.00 173.10 172.16 1vs7 n ALA 11 N 1.38 -3.92 -1.28 3.20 0.00 -1.13 -4.54 120.51 114.22 1vs7 n ALA 11 Ca -0.15 -1.31 -0.36 0.00 0.00 0.00 0.00 53.44 51.62 1vs7 n ALA 11 Cb 0.52 -1.57 0.06 0.00 0.00 0.00 0.00 19.45 18.47 1vs7 n ALA 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vs7 n LYS 12 N -2.66 0.32 0.00 0.00 4.81 -1.26 -3.17 118.16 116.21 1vs7 n LYS 12 Ca 0.01 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1vs7 n LYS 12 Cb 0.60 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1vs7 n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1vs7 n LYS 13 N -0.59 0.00 -3.17 1.64 5.02 -1.26 -4.75 118.16 115.05 1vs7 n LYS 13 Ca 0.10 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.95 1vs7 n LYS 13 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.45 1vs7 n LYS 13 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1vs7 s ARG 14 N 0.00 3.07 0.76 1.97 1.70 -1.19 -5.06 118.95 120.20 1vs7 s ARG 14 Ca 0.00 -1.15 -0.09 0.00 -0.47 0.00 0.00 55.73 54.02 1vs7 s ARG 14 Cb 0.00 -4.18 0.08 0.00 -0.57 0.00 0.00 34.95 30.28 1vs7 s ARG 14 CO 0.00 -1.34 1.10 -1.25 -1.08 0.00 0.00 175.30 172.73 1vs7 s PRO 15 N 2.51 2.01 -0.40 3.89 0.04 -1.25 -2.85 135.00 138.94 1vs7 s PRO 15 Ca 0.12 -0.12 0.07 0.00 0.04 0.00 0.00 61.00 61.11 1vs7 s PRO 15 Cb -0.22 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.43 1vs7 s PRO 15 CO 0.09 -1.45 0.59 0.12 0.04 0.00 0.00 177.00 176.38 1vs7 s PHE 16 N -3.42 -1.48 1.00 0.56 2.19 -1.26 -4.48 117.98 111.09 1vs7 s PHE 16 Ca 0.62 0.05 -0.12 0.00 0.33 0.00 0.00 56.93 57.81 1vs7 s PHE 16 Cb -0.10 0.19 0.19 0.00 -1.31 0.00 0.00 43.02 41.98 1vs7 s PHE 16 CO 0.47 -1.14 1.09 0.71 1.83 0.00 0.00 175.22 178.18 1vs7 s TYR 17 N 1.76 2.11 -0.45 10.12 1.51 -0.98 -1.14 117.35 130.28 1vs7 s TYR 17 Ca 0.16 1.00 0.06 0.00 -1.01 0.00 0.00 57.07 57.28 1vs7 s TYR 17 Cb -0.06 -3.26 0.21 0.00 -0.11 0.00 0.00 41.96 38.73 1vs7 s TYR 17 CO -0.06 -2.88 0.60 0.94 -1.11 0.00 0.00 175.55 173.04 1vs7 n GLN 18 N -4.17 0.52 -1.41 -0.62 7.27 -1.15 -2.50 117.38 115.32 1vs7 n GLN 18 Ca 0.05 -2.56 -0.55 0.00 0.07 0.00 0.00 57.00 54.02 1vs7 n GLN 18 Cb 0.57 -1.47 -0.08 0.00 2.41 0.00 0.00 30.24 31.67 1vs7 n GLN 18 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1vs7 n VAL 19 N 2.32 0.00 -3.80 1.69 3.14 -0.96 -3.98 118.33 116.73 1vs7 n VAL 19 Ca 0.20 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.46 1vs7 n VAL 19 Cb 0.54 -0.24 -0.10 0.00 -1.06 0.00 0.00 33.84 32.99 1vs7 n VAL 19 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1vs7 s VAL 20 N 1.43 0.05 0.01 1.55 0.11 0.11 -2.60 120.40 121.06 1vs7 s VAL 20 Ca 0.85 -0.40 -0.25 0.00 -2.93 0.00 0.00 61.98 59.25 1vs7 s VAL 20 Cb -1.20 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 33.11 1vs7 s VAL 20 CO 0.61 -0.22 0.78 -0.69 -3.33 0.00 0.00 175.10 172.25 1vs7 s VAL 21 N -0.92 4.83 0.16 2.04 1.01 -1.01 -1.83 120.40 124.68 1vs7 s VAL 21 Ca -0.10 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.27 1vs7 s VAL 21 Cb -0.05 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.27 1vs7 s VAL 21 CO 0.02 0.31 0.94 0.00 0.00 0.00 0.00 175.10 176.37 1vs7 s ALA 22 N 0.30 -1.63 -0.10 5.51 0.00 0.65 0.66 121.76 127.15 1vs7 s ALA 22 Ca 0.40 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1vs7 s ALA 22 Cb -0.20 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1vs7 s ALA 22 CO 0.22 -1.03 1.14 0.34 0.00 0.00 0.00 175.76 176.43 1vs7 s ASP 23 N -2.92 7.10 0.26 0.00 -1.08 -1.26 -0.22 116.67 118.54 1vs7 s ASP 23 Ca 0.12 1.68 -0.12 0.00 -0.52 0.00 0.00 52.55 53.71 1vs7 s ASP 23 Cb -0.02 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 39.25 1vs7 s ASP 23 CO 0.02 -0.57 1.56 0.77 0.52 0.00 0.00 175.17 177.47 1vs7 h SER 24 N 7.44 -1.11 -0.64 -0.34 4.64 -0.82 -2.20 113.55 120.52 1vs7 h SER 24 Ca -0.31 0.30 0.07 0.00 -0.47 0.00 0.00 61.79 61.38 1vs7 h SER 24 Cb 1.14 0.66 -0.10 0.00 -0.31 0.00 0.00 62.40 63.79 1vs7 h SER 24 CO 0.89 -0.31 -0.55 0.03 -0.87 0.00 0.00 176.83 176.02 1vs7 h ARG 25 N -0.00 -0.23 -6.41 4.77 -0.00 -1.92 -3.40 114.38 107.19 1vs7 h ARG 25 Ca 0.42 0.02 -0.63 0.00 -0.50 0.00 0.00 59.98 59.29 1vs7 h ARG 25 Cb 0.67 0.05 0.06 0.00 0.00 0.00 0.00 29.97 30.75 1vs7 h ARG 25 CO -1.00 -0.15 0.61 0.09 0.00 0.00 0.00 179.97 179.52 1vs7 n ASN 26 N -5.34 2.36 -3.82 7.04 4.13 -0.83 -4.92 115.26 113.88 1vs7 n ASN 26 Ca -0.01 1.11 -0.26 0.00 1.68 0.00 0.00 54.58 57.11 1vs7 n ASN 26 Cb 0.32 -1.32 0.19 0.00 -1.54 0.00 0.00 39.78 37.43 1vs7 n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vs7 n ALA 27 N 2.79 -2.80 -1.00 5.41 0.00 -1.26 -4.79 120.51 118.86 1vs7 n ALA 27 Ca 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1vs7 n ALA 27 Cb 0.25 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1vs7 n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1vs7 n ARG 28 N -2.74 0.00 -0.10 0.00 -4.01 -1.26 -1.97 116.66 106.59 1vs7 n ARG 28 Ca 0.05 0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.91 1vs7 n ARG 28 Cb 0.50 -0.55 0.00 0.00 -3.04 0.00 0.00 32.46 29.37 1vs7 n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1vs7 n ASN 29 N -0.10 2.43 -1.04 2.89 4.13 -1.26 -4.79 115.26 117.53 1vs7 n ASN 29 Ca 0.00 -1.50 0.00 0.00 1.68 0.00 0.00 54.58 54.76 1vs7 n ASN 29 Cb 0.00 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 1vs7 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vs7 n GLY 30 N 0.96 1.10 3.55 7.41 0.00 -0.83 -4.96 105.19 112.42 1vs7 n GLY 30 Ca 0.00 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1vs7 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vs7 n ARG 31 N 0.00 1.19 -1.88 1.61 0.63 -1.26 -4.96 116.66 112.00 1vs7 n ARG 31 Ca 0.00 0.13 -0.10 0.00 -0.92 0.00 0.00 57.85 56.96 1vs7 n ARG 31 Cb 0.00 -3.26 0.04 0.00 0.45 0.00 0.00 32.46 29.68 1vs7 n ARG 31 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 1vs7 n PHE 32 N 14.49 -2.75 -0.12 -0.14 1.16 -1.26 -4.42 117.46 124.42 1vs7 n PHE 32 Ca 0.37 -0.98 -0.25 0.00 -1.87 0.00 0.00 57.45 54.72 1vs7 n PHE 32 Cb 0.49 -0.28 -0.09 0.00 -1.61 0.00 0.00 39.48 37.99 1vs7 n PHE 32 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1vs7 n ILE 33 N -1.68 1.31 -3.64 1.97 5.41 0.21 -4.92 119.36 118.02 1vs7 n ILE 33 Ca 0.08 -0.35 -0.07 0.00 1.00 0.00 0.00 62.75 63.41 1vs7 n ILE 33 Cb 0.29 -1.79 -0.07 0.00 -0.71 0.00 0.00 39.64 37.36 1vs7 n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1vs7 s GLU 34 N -2.44 0.36 -0.22 0.38 -1.05 -1.11 -5.02 118.70 109.61 1vs7 s GLU 34 Ca -0.33 0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 54.64 1vs7 s GLU 34 Cb 0.13 0.17 -0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1vs7 s GLU 34 CO 0.43 -0.05 1.45 0.50 0.95 0.00 0.00 175.26 178.54 1vs7 s ARG 35 N 0.26 3.96 0.00 -4.83 3.52 -1.26 -2.40 118.95 118.20 1vs7 s ARG 35 Ca 0.03 1.58 0.21 0.00 -0.13 0.00 0.00 55.73 57.43 1vs7 s ARG 35 Cb -0.05 -3.93 0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1vs7 s ARG 35 CO -0.10 -1.07 1.07 1.55 -0.81 0.00 0.00 175.30 175.94 1vs7 n VAL 36 N 6.04 0.00 -0.34 7.11 3.14 -1.18 -4.99 118.33 128.11 1vs7 n VAL 36 Ca 0.16 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1vs7 n VAL 36 Cb 0.45 1.30 0.00 0.00 -1.06 0.00 0.00 33.84 34.53 1vs7 n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vs7 n GLY 37 N 1.33 -2.65 3.31 7.55 0.00 -1.07 -3.75 105.19 109.91 1vs7 n GLY 37 Ca 0.10 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 1vs7 n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vs7 s PHE 38 N -2.04 1.52 -0.27 1.61 -0.12 -0.18 -2.27 117.98 116.23 1vs7 s PHE 38 Ca 0.00 -1.28 -0.01 0.00 -0.05 0.00 0.00 56.93 55.60 1vs7 s PHE 38 Cb 0.00 -0.85 0.15 0.00 -0.63 0.00 0.00 43.02 41.69 1vs7 s PHE 38 CO 0.00 -0.44 0.44 0.12 -0.05 0.00 0.00 175.22 175.29 1vs7 s PHE 39 N -3.74 -1.08 -0.51 3.49 5.36 -1.04 -2.66 117.98 117.81 1vs7 s PHE 39 Ca 0.37 0.92 -0.17 0.00 -0.96 0.00 0.00 56.93 57.09 1vs7 s PHE 39 Cb 0.07 0.11 0.08 0.00 -0.34 0.00 0.00 43.02 42.94 1vs7 s PHE 39 CO 0.15 -0.83 0.51 1.21 -1.46 0.00 0.00 175.22 174.80 1vs7 s ASN 40 N 2.62 6.18 -0.96 6.13 3.04 -1.20 -2.31 114.94 128.45 1vs7 s ASN 40 Ca 0.14 -1.32 -0.11 0.00 0.04 0.00 0.00 52.86 51.61 1vs7 s ASN 40 Cb -0.14 -2.23 -0.08 0.00 -1.54 0.00 0.00 41.25 37.26 1vs7 s ASN 40 CO -0.20 -0.80 2.12 -0.81 -3.04 0.00 0.00 177.10 174.37 1vs7 n PRO 41 N 5.59 2.08 0.00 0.43 -0.04 -1.26 -3.86 135.00 137.94 1vs7 n PRO 41 Ca -0.11 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1vs7 n PRO 41 Cb 0.43 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1vs7 n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1vs7 n ILE 42 N 4.74 0.00 -3.71 0.52 2.08 -1.26 -4.93 119.36 116.80 1vs7 n ILE 42 Ca 0.49 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.57 1vs7 n ILE 42 Cb 0.23 -0.36 0.04 0.00 -0.75 0.00 0.00 39.64 38.81 1vs7 n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vs7 n ALA 43 N -2.16 -1.75 0.00 -1.39 0.00 -1.25 -4.78 120.51 109.18 1vs7 n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs7 n ALA 43 Cb 0.30 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.70 1vs7 n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vs7 n SER 44 N -3.01 0.00 0.00 0.00 2.88 -1.26 -4.70 113.62 107.53 1vs7 n SER 44 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1vs7 n SER 44 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1vs7 n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1vs7 n GLU 45 N -0.87 0.00 0.00 -1.46 2.13 -1.26 -4.90 120.64 114.28 1vs7 n GLU 45 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1vs7 n GLU 45 Cb 0.00 -3.77 0.00 0.00 0.27 0.00 0.00 31.44 27.94 1vs7 n GLU 45 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1vs7 n LYS 46 N -2.00 3.02 0.00 5.31 2.85 -1.26 -5.03 118.16 121.05 1vs7 n LYS 46 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs7 n LYS 46 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vs7 n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1vs7 n GLU 47 N 0.00 2.03 -1.07 -1.58 -0.58 -1.26 -4.94 120.64 113.24 1vs7 n GLU 47 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 1vs7 n GLU 47 Cb 0.00 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 30.98 1vs7 n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1vs7 n GLU 48 N 0.00 0.09 0.00 3.49 2.13 -1.26 -4.95 120.64 120.14 1vs7 n GLU 48 Ca 0.00 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1vs7 n GLU 48 Cb 0.00 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1vs7 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vs7 n GLY 49 N 1.11 -0.25 3.63 8.31 0.00 -1.26 -5.02 105.19 111.71 1vs7 n GLY 49 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1vs7 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vs7 s THR 50 N -0.12 0.00 -0.14 2.61 2.01 -1.26 -3.25 115.64 115.48 1vs7 s THR 50 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1vs7 s THR 50 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.56 1vs7 s THR 50 CO 0.00 0.00 0.07 -0.60 -0.69 0.00 0.00 174.62 173.40 1vs7 s ARG 51 N 0.31 0.17 -0.01 4.92 3.52 -1.09 -5.01 118.95 121.77 1vs7 s ARG 51 Ca 0.01 -0.03 0.14 0.00 -0.13 0.00 0.00 55.73 55.72 1vs7 s ARG 51 Cb -0.05 -1.54 -0.17 0.00 -1.56 0.00 0.00 34.95 31.63 1vs7 s ARG 51 CO -0.03 -0.57 0.50 1.28 -0.81 0.00 0.00 175.30 175.67 1vs7 n LEU 52 N 5.24 0.45 -3.75 -0.88 4.32 -1.26 -1.01 117.00 120.11 1vs7 n LEU 52 Ca -0.07 -0.35 -0.30 0.00 -0.02 0.00 0.00 56.01 55.27 1vs7 n LEU 52 Cb 0.49 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.31 1vs7 n LEU 52 CO 0.10 0.11 -0.10 -0.67 -1.22 0.00 0.00 177.39 175.61 1vs7 n ASP 53 N -1.52 -5.17 0.20 -1.43 2.03 -1.25 -4.59 116.55 104.83 1vs7 n ASP 53 Ca 0.01 -0.97 0.11 0.00 0.52 0.00 0.00 54.79 54.46 1vs7 n ASP 53 Cb 0.26 -2.64 0.35 0.00 -0.72 0.00 0.00 41.12 38.36 1vs7 n ASP 53 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1vs7 h LEU 54 N -1.34 0.00 0.00 -2.67 3.38 -1.96 -2.93 115.31 109.79 1vs7 h LEU 54 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1vs7 h LEU 54 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1vs7 h LEU 54 CO 0.44 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.30 1vs7 n ASP 55 N -2.85 0.00 0.02 -0.43 2.03 -1.26 -2.08 116.55 111.98 1vs7 n ASP 55 Ca 0.05 0.66 -0.10 0.00 0.52 0.00 0.00 54.79 55.91 1vs7 n ASP 55 Cb 0.93 -0.16 -0.04 0.00 -0.72 0.00 0.00 41.12 41.13 1vs7 n ASP 55 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1vs7 h ARG 56 N 0.00 -0.11 -0.73 -0.67 2.47 -1.85 -1.18 114.38 112.31 1vs7 h ARG 56 Ca 0.00 0.01 0.15 0.00 -1.26 0.00 0.00 59.98 58.88 1vs7 h ARG 56 Cb 0.00 0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.24 1vs7 h ARG 56 CO 0.00 -0.08 0.19 0.97 0.56 0.00 0.00 179.97 181.61 1vs7 h ILE 57 N -0.12 0.54 -0.07 2.04 -0.00 -1.69 0.17 117.51 118.39 1vs7 h ILE 57 Ca 0.06 -0.10 -0.13 0.00 -0.00 0.00 0.00 64.86 64.69 1vs7 h ILE 57 Cb 0.20 0.23 -0.01 0.00 -0.00 0.00 0.00 36.82 37.23 1vs7 h ILE 57 CO -0.13 0.05 -0.53 0.00 -0.00 0.00 0.00 178.15 177.53 1vs7 h ALA 58 N 1.59 0.97 0.33 0.18 0.00 -1.14 -3.21 119.26 117.98 1vs7 h ALA 58 Ca 0.41 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1vs7 h ALA 58 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vs7 h ALA 58 CO -0.49 0.68 -0.16 1.25 0.00 0.00 0.00 179.25 180.54 1vs7 h HIS 59 N 0.15 -0.41 -0.53 0.00 -0.00 0.54 -3.09 115.15 111.81 1vs7 h HIS 59 Ca 0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.46 1vs7 h HIS 59 Cb 0.99 0.14 -0.08 0.00 -0.00 0.00 0.00 27.41 28.46 1vs7 h HIS 59 CO 0.02 -0.16 0.09 -1.49 -0.00 0.00 0.00 177.93 176.39 1vs7 h TRP 60 N -0.60 0.14 -0.75 5.26 4.06 -1.17 -1.52 115.95 121.37 1vs7 h TRP 60 Ca -0.05 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.08 1vs7 h TRP 60 Cb 0.43 0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 28.52 1vs7 h TRP 60 CO -0.02 -0.03 0.31 0.28 -3.56 0.00 0.00 178.44 175.43 1vs7 h VAL 61 N 0.22 0.68 -0.15 1.49 2.07 -1.56 0.30 116.25 119.30 1vs7 h VAL 61 Ca 0.27 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1vs7 h VAL 61 Cb 0.38 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1vs7 h VAL 61 CO -0.37 0.09 0.17 1.23 0.02 0.00 0.00 177.57 178.71 1vs7 h GLY 62 N 0.47 0.00 0.82 2.17 0.00 -1.19 0.17 103.07 105.51 1vs7 h GLY 62 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1vs7 h GLY 62 CO -0.39 0.00 -0.67 -1.06 0.00 0.00 0.00 176.54 174.43 1vs7 n GLN 63 N -3.77 0.08 0.00 4.80 6.02 0.98 -4.91 117.38 120.58 1vs7 n GLN 63 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1vs7 n GLN 63 Cb 0.29 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1vs7 n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vs7 n GLY 64 N 1.46 0.08 3.69 1.08 0.00 0.59 -5.12 105.19 106.97 1vs7 n GLY 64 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1vs7 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs7 s ALA 65 N -0.95 1.74 -0.58 4.61 0.00 -0.70 -4.82 121.76 121.07 1vs7 s ALA 65 Ca 0.00 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.74 1vs7 s ALA 65 Cb 0.00 -3.47 0.17 0.00 0.00 0.00 0.00 23.12 19.82 1vs7 s ALA 65 CO 0.00 -2.41 0.43 0.99 0.00 0.00 0.00 175.76 174.76 1vs7 s THR 66 N -2.34 1.77 -0.08 0.00 2.01 -0.94 -4.57 115.64 111.49 1vs7 s THR 66 Ca 0.70 -3.56 -0.35 0.00 0.31 0.00 0.00 61.69 58.79 1vs7 s THR 66 Cb -0.26 -2.18 -0.13 0.00 0.01 0.00 0.00 72.50 69.94 1vs7 s THR 66 CO 0.53 -1.11 1.82 0.00 -0.69 0.00 0.00 174.62 175.17 1vs7 n ILE 67 N 2.36 0.47 -0.28 1.82 3.06 -1.26 -3.42 119.36 122.11 1vs7 n ILE 67 Ca 0.24 -0.08 -0.31 0.00 -2.50 0.00 0.00 62.75 60.10 1vs7 n ILE 67 Cb 0.41 -1.73 0.29 0.00 0.54 0.00 0.00 39.64 39.15 1vs7 n ILE 67 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1vs7 s SER 68 N 3.58 -1.38 0.00 9.51 1.04 -0.41 -4.76 113.70 121.29 1vs7 s SER 68 Ca 0.92 0.87 0.00 0.00 0.48 0.00 0.00 55.95 58.22 1vs7 s SER 68 Cb -0.75 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1vs7 s SER 68 CO 0.52 -5.56 0.61 0.47 0.98 0.00 0.00 173.24 170.26 1vs7 n ASP 69 N -5.77 0.00 -0.20 7.02 8.00 -1.26 -2.15 116.55 122.19 1vs7 n ASP 69 Ca 0.13 0.61 -0.13 0.00 0.71 0.00 0.00 54.79 56.11 1vs7 n ASP 69 Cb 0.60 -0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 1vs7 n ASP 69 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1vs7 h ARG 70 N 0.00 -0.30 -0.29 -1.24 9.65 -1.97 0.23 114.38 120.46 1vs7 h ARG 70 Ca 0.00 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.98 1vs7 h ARG 70 Cb 0.00 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1vs7 h ARG 70 CO 0.00 -0.20 0.49 -0.24 2.80 0.00 0.00 179.97 182.83 1vs7 h VAL 71 N -0.31 0.19 0.15 0.20 3.04 -1.88 0.21 116.25 117.86 1vs7 h VAL 71 Ca 0.10 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.49 1vs7 h VAL 71 Cb 0.56 0.57 0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1vs7 h VAL 71 CO -0.67 0.00 -1.41 0.00 -1.01 0.00 0.00 177.57 174.48 1vs7 h ALA 72 N 1.29 0.10 -1.00 3.17 0.00 -0.04 -3.31 119.26 119.46 1vs7 h ALA 72 Ca 0.14 -0.97 0.11 0.00 0.00 0.00 0.00 54.91 54.19 1vs7 h ALA 72 Cb 1.12 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1vs7 h ALA 72 CO -0.00 0.97 0.63 0.00 0.00 0.00 0.00 179.25 180.85 1vs7 h ALA 73 N 0.44 1.48 -0.31 0.00 0.00 0.10 -1.83 119.26 119.14 1vs7 h ALA 73 Ca -0.20 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1vs7 h ALA 73 Cb 2.03 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 1vs7 h ALA 73 CO 0.20 0.26 -0.14 -0.07 0.00 0.00 0.00 179.25 179.51 1vs7 h LEU 74 N 1.02 -0.47 -0.84 0.00 3.38 -1.62 -0.49 115.31 116.29 1vs7 h LEU 74 Ca 0.48 0.12 0.21 0.00 0.09 0.00 0.00 57.88 58.77 1vs7 h LEU 74 Cb 0.42 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.31 1vs7 h LEU 74 CO -0.25 -0.17 0.26 0.40 0.09 0.00 0.00 178.44 178.77 1vs7 h ILE 75 N -0.09 0.43 -0.04 1.22 2.04 -1.47 0.24 117.51 119.83 1vs7 h ILE 75 Ca 0.16 -0.10 -0.22 0.00 1.00 0.00 0.00 64.86 65.70 1vs7 h ILE 75 Cb 0.33 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1vs7 h ILE 75 CO -0.37 0.05 -0.88 0.11 0.00 0.00 0.00 178.15 177.07 1vs7 h LYS 76 N 0.29 0.50 -0.46 2.37 1.79 -1.32 -3.10 116.57 116.64 1vs7 h LYS 76 Ca 0.51 -0.48 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1vs7 h LYS 76 Cb 0.96 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 1vs7 h LYS 76 CO -0.57 1.12 0.31 0.93 -1.08 0.00 0.00 179.45 180.16 1vs7 h GLU 77 N 0.30 0.42 -4.28 3.15 5.08 0.59 -3.31 114.58 116.54 1vs7 h GLU 77 Ca -0.07 -0.03 -0.75 0.00 -1.00 0.00 0.00 59.36 57.52 1vs7 h GLU 77 Cb 1.50 -0.10 -0.23 0.00 0.50 0.00 0.00 28.75 30.43 1vs7 h GLU 77 CO 0.16 0.28 0.22 0.54 -1.00 0.00 0.00 179.01 179.21 1vs7 s VAL 78 N -5.41 5.23 -0.88 3.13 0.11 -0.39 -4.99 120.40 117.21 1vs7 s VAL 78 Ca -0.08 -1.89 -0.25 0.00 -2.93 0.00 0.00 61.98 56.83 1vs7 s VAL 78 Cb 0.18 -4.52 -0.20 0.00 -1.53 0.00 0.00 36.38 30.30 1vs7 s VAL 78 CO 0.73 -1.13 2.52 -0.46 -3.33 0.00 0.00 175.10 173.43 1vs7 n ASN 79 N 5.12 0.50 0.00 3.54 6.94 -1.25 -4.89 115.26 125.22 1vs7 n ASN 79 Ca 0.08 -0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.41 1vs7 n ASN 79 Cb 0.46 -1.04 0.01 0.00 -2.36 0.00 0.00 39.78 36.84 1vs7 n ASN 79 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52