#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gv4 s LEU 2 N 0.00 3.06 0.00 2.45 1.43 0.41 -5.00 118.68 121.03 3gv4 s LEU 2 Ca 0.00 -0.13 0.20 0.00 -1.03 0.00 0.00 54.13 53.17 3gv4 s LEU 2 Cb 0.00 -1.69 0.94 0.00 0.03 0.00 0.00 46.19 45.48 3gv4 s LEU 2 CO 0.00 0.26 1.64 -0.81 0.23 0.00 0.00 176.35 177.68 3gv4 n PRO 3 N 2.88 1.37 -3.63 1.29 -0.04 -1.26 -0.64 135.00 134.97 3gv4 n PRO 3 Ca -0.18 -0.55 -0.03 0.00 -0.04 0.00 0.00 63.50 62.70 3gv4 n PRO 3 Cb 0.53 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 3gv4 n PRO 3 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3gv4 s TRP 4 N -1.90 -0.07 0.06 0.54 -0.00 -1.25 -4.55 118.94 111.77 3gv4 s TRP 4 Ca 0.30 0.11 -0.08 0.00 -0.00 0.00 0.00 56.10 56.43 3gv4 s TRP 4 Cb 0.15 0.49 -0.00 0.00 -0.00 0.00 0.00 33.47 34.12 3gv4 s TRP 4 CO 0.24 -0.08 0.18 0.00 -0.00 0.00 0.00 176.95 177.29 3gv4 n PRO 6 N 0.31 0.24 0.00 0.00 -0.04 -1.26 -2.68 135.00 131.57 3gv4 n PRO 6 Ca -0.17 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 3gv4 n PRO 6 Cb 0.61 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 3gv4 n PRO 6 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3gv4 n HIS 7 N -1.23 0.00 0.20 0.54 8.25 -1.26 -4.31 115.22 117.42 3gv4 n HIS 7 Ca 0.07 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.65 3gv4 n HIS 7 Cb 0.10 -0.00 0.70 0.00 1.12 0.00 0.00 29.99 31.91 3gv4 n HIS 7 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gv4 h LEU 8 N 3.99 0.00 -1.97 2.41 3.38 -1.94 -1.10 115.31 120.08 3gv4 h LEU 8 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 3gv4 h LEU 8 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3gv4 h LEU 8 CO 0.00 0.00 0.62 1.62 0.09 0.00 0.00 178.44 180.77 3gv4 h VAL 9 N 0.00 0.51 0.00 1.22 3.04 -1.84 -1.90 116.25 117.28 3gv4 h VAL 9 Ca 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 3gv4 h VAL 9 Cb 0.26 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 3gv4 h VAL 9 CO -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 3gv4 n ALA 10 N -2.63 2.11 -2.01 3.17 0.00 -0.41 -4.82 120.51 115.91 3gv4 n ALA 10 Ca 0.16 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 3gv4 n ALA 10 Cb 0.91 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3gv4 n ALA 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gv4 s VAL 11 N -3.14 3.25 0.28 0.00 1.01 -0.72 -4.41 120.40 116.68 3gv4 s VAL 11 Ca 0.09 0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.80 3gv4 s VAL 11 Cb 0.12 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3gv4 s VAL 11 CO 0.53 -0.01 0.33 0.00 0.00 0.00 0.00 175.10 175.95 3gv4 n PRO 13 N -1.40 1.83 -1.73 0.00 -0.02 -1.26 -4.87 135.00 127.54 3gv4 n PRO 13 Ca -0.05 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3gv4 n PRO 13 Cb 0.58 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3gv4 n PRO 13 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gv4 n ILE 14 N -0.42 0.95 -1.65 4.25 -0.00 -1.26 -4.91 119.36 116.32 3gv4 n ILE 14 Ca 0.08 -0.24 -0.43 0.00 -0.00 0.00 0.00 62.75 62.16 3gv4 n ILE 14 Cb 0.41 -1.91 -0.01 0.00 -0.00 0.00 0.00 39.64 38.13 3gv4 n ILE 14 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3gv4 n PRO 15 N 2.26 1.73 -0.03 0.38 -0.02 -1.26 -4.86 135.00 133.19 3gv4 n PRO 15 Ca 0.09 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.28 3gv4 n PRO 15 Cb 0.36 -2.11 0.49 0.00 -0.02 0.00 0.00 33.50 32.23 3gv4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gv4 h ALA 16 N 2.21 1.94 0.00 3.55 0.00 -2.05 0.12 119.26 125.03 3gv4 h ALA 16 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gv4 h ALA 16 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gv4 h ALA 16 CO 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3gv4 h ALA 17 N 1.73 1.00 0.00 0.00 0.00 -2.02 -3.49 119.26 116.48 3gv4 h ALA 17 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gv4 h ALA 17 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gv4 h ALA 17 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3gv4 n GLY 18 N -0.28 -1.81 3.55 0.00 0.00 0.42 -4.98 105.19 102.08 3gv4 n GLY 18 Ca 0.01 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 3gv4 n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gv4 s LEU 19 N 0.00 2.88 -0.35 0.99 1.43 -1.26 -4.71 118.68 117.65 3gv4 s LEU 19 Ca 0.00 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3gv4 s LEU 19 Cb 0.00 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 44.78 3gv4 s LEU 19 CO 0.00 0.09 0.10 -0.62 0.23 0.00 0.00 176.35 176.15 3gv4 s ASP 20 N -2.92 4.35 0.13 2.29 -1.08 -1.26 -4.89 116.67 113.29 3gv4 s ASP 20 Ca 0.25 -2.04 0.18 0.00 -0.52 0.00 0.00 52.55 50.41 3gv4 s ASP 20 Cb -0.08 -1.27 0.77 0.00 -1.46 0.00 0.00 42.92 40.88 3gv4 s ASP 20 CO 0.15 -0.38 1.55 1.33 0.52 0.00 0.00 175.17 178.34 3gv4 n VAL 21 N 4.36 1.00 0.01 1.11 0.24 -1.26 -1.63 118.33 122.15 3gv4 n VAL 21 Ca 0.02 0.29 0.12 0.00 -2.04 0.00 0.00 64.34 62.73 3gv4 n VAL 21 Cb 0.41 -1.16 0.27 0.00 -1.47 0.00 0.00 33.84 31.89 3gv4 n VAL 21 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gv4 n THR 22 N -1.87 0.73 -1.73 3.34 -2.24 -1.26 -4.94 114.28 106.32 3gv4 n THR 22 Ca 0.02 -0.86 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 3gv4 n THR 22 Cb 0.17 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 3gv4 n THR 22 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3gv4 n GLN 23 N 1.56 2.78 -1.30 -0.78 7.27 -0.65 -4.98 117.38 121.29 3gv4 n GLN 23 Ca 0.22 1.00 -0.32 0.00 0.07 0.00 0.00 57.00 57.97 3gv4 n GLN 23 Cb 0.61 -2.83 0.10 0.00 2.41 0.00 0.00 30.24 30.53 3gv4 n GLN 23 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3gv4 s PRO 24 N 0.68 2.11 0.20 3.69 0.02 -1.26 -4.90 135.00 135.53 3gv4 s PRO 24 Ca 0.72 1.42 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 3gv4 s PRO 24 Cb -0.50 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.04 3gv4 s PRO 24 CO 0.37 -1.79 1.66 0.00 -0.33 0.00 0.00 177.00 176.91 3gv4 h GLY 26 N 6.28 0.00 0.00 0.00 0.00 -1.48 -0.65 103.07 107.22 3gv4 h GLY 26 Ca -0.44 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.53 3gv4 h GLY 26 CO 0.92 0.00 -2.25 1.22 0.00 0.00 0.00 176.54 176.43 3gv4 n ASP 27 N -2.65 1.86 -0.06 0.19 8.00 -1.26 -4.79 116.55 117.83 3gv4 n ASP 27 Ca -0.02 0.14 0.05 0.00 0.71 0.00 0.00 54.79 55.68 3gv4 n ASP 27 Cb 0.09 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.59 3gv4 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gv4 n GLY 29 N 1.16 0.40 3.81 0.00 0.00 -0.25 -4.95 105.19 105.35 3gv4 n GLY 29 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3gv4 n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gv4 s THR 30 N -1.85 3.86 -0.82 2.61 -4.23 -1.26 -4.45 115.64 109.49 3gv4 s THR 30 Ca 0.00 0.73 0.08 0.00 -1.18 0.00 0.00 61.69 61.32 3gv4 s THR 30 Cb 0.00 -3.35 0.18 0.00 1.34 0.00 0.00 72.50 70.68 3gv4 s THR 30 CO 0.00 -0.67 1.07 -0.38 -0.54 0.00 0.00 174.62 174.10 3gv4 n ILE 31 N -2.65 0.69 0.21 2.99 2.08 -1.26 -1.32 119.36 120.11 3gv4 n ILE 31 Ca 0.08 -0.85 -0.09 0.00 0.56 0.00 0.00 62.75 62.45 3gv4 n ILE 31 Cb 0.53 0.71 -0.04 0.00 -0.75 0.00 0.00 39.64 40.08 3gv4 n ILE 31 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3gv4 h GLN 32 N 1.60 -0.58 -2.09 0.38 4.20 -1.96 -3.42 115.11 113.24 3gv4 h GLN 32 Ca 0.00 0.04 -0.51 0.00 0.06 0.00 0.00 58.65 58.24 3gv4 h GLN 32 Cb 0.58 0.13 -0.34 0.00 0.30 0.00 0.00 27.48 28.15 3gv4 h GLN 32 CO 0.00 -0.38 -0.91 0.39 -0.67 0.00 0.00 178.83 177.26 3gv4 n GLU 33 N -5.18 0.28 -3.52 1.46 1.02 -1.26 -4.97 120.64 108.47 3gv4 n GLU 33 Ca -0.08 -2.98 -0.27 0.00 -0.02 0.00 0.00 57.16 53.82 3gv4 n GLU 33 Cb 0.24 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 3gv4 n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3gv4 s ASN 34 N 0.07 6.39 0.17 1.62 0.01 -1.26 -0.39 114.94 121.54 3gv4 s ASN 34 Ca 0.33 0.50 0.08 0.00 -0.71 0.00 0.00 52.86 53.06 3gv4 s ASN 34 Cb 0.05 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 3gv4 s ASN 34 CO -0.17 -0.14 -0.18 0.26 -1.51 0.00 0.00 177.10 175.36 3gv4 s TRP 35 N -2.03 1.82 -0.08 2.20 0.52 0.31 -1.00 118.94 120.68 3gv4 s TRP 35 Ca 0.40 -0.47 0.03 0.00 0.02 0.00 0.00 56.10 56.08 3gv4 s TRP 35 Cb -0.11 -0.90 -0.02 0.00 -1.15 0.00 0.00 33.47 31.29 3gv4 s TRP 35 CO 0.31 0.33 -0.17 0.54 0.02 0.00 0.00 176.95 177.98 3gv4 s VAL 36 N -2.08 2.80 -0.04 4.03 0.11 0.45 -1.76 120.40 123.91 3gv4 s VAL 36 Ca 0.16 -0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 58.12 3gv4 s VAL 36 Cb -0.06 -2.10 -0.03 0.00 -1.53 0.00 0.00 36.38 32.66 3gv4 s VAL 36 CO 0.07 0.56 1.07 0.00 -3.33 0.00 0.00 175.10 173.47 3gv4 n LEU 38 N 4.63 0.00 -0.12 0.00 4.77 -0.39 -0.34 117.00 125.55 3gv4 n LEU 38 Ca 0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.86 3gv4 n LEU 38 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 3gv4 n LEU 38 CO 0.53 0.00 -1.04 -1.20 -1.33 0.00 0.00 177.39 174.35 3gv4 n SER 39 N -0.99 1.94 -0.00 -1.43 7.64 -1.26 -0.95 113.62 118.56 3gv4 n SER 39 Ca 0.23 0.36 0.06 0.00 1.01 0.00 0.00 58.87 60.53 3gv4 n SER 39 Cb 0.11 -0.80 -0.08 0.00 -1.01 0.00 0.00 64.21 62.42 3gv4 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gv4 n TYR 41 N -1.48 -0.08 -2.26 0.00 4.01 0.53 -4.99 117.16 112.88 3gv4 n TYR 41 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 3gv4 n TYR 41 Cb 0.24 -2.62 -0.01 0.00 -0.31 0.00 0.00 39.34 36.64 3gv4 n TYR 41 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3gv4 s GLN 42 N -3.40 3.58 -0.13 -0.72 -0.21 -1.26 -4.71 119.66 112.81 3gv4 s GLN 42 Ca 0.00 1.20 0.01 0.00 0.02 0.00 0.00 55.36 56.60 3gv4 s GLN 42 Cb 0.00 -2.07 -0.00 0.00 1.00 0.00 0.00 33.01 31.94 3gv4 s GLN 42 CO 0.00 -0.59 -0.18 0.08 -2.12 0.00 0.00 175.29 172.48 3gv4 s VAL 43 N -2.35 2.51 0.05 1.09 1.01 -1.26 -1.31 120.40 120.14 3gv4 s VAL 43 Ca 0.64 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3gv4 s VAL 43 Cb -0.15 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3gv4 s VAL 43 CO 0.31 0.53 0.13 -0.31 0.00 0.00 0.00 175.10 175.76 3gv4 s TYR 44 N 0.58 0.19 0.65 5.22 2.02 -0.72 -1.10 117.35 124.19 3gv4 s TYR 44 Ca -0.11 -0.53 -0.13 0.00 -0.37 0.00 0.00 57.07 55.94 3gv4 s TYR 44 Cb -0.16 -0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.26 3gv4 s TYR 44 CO 0.03 -0.42 1.06 0.00 -1.57 0.00 0.00 175.55 174.65 3gv4 s GLY 46 N -3.42 1.64 0.03 0.00 0.00 0.47 -1.35 107.32 104.69 3gv4 s GLY 46 Ca 0.60 -0.84 0.25 0.00 0.00 0.00 0.00 44.72 44.73 3gv4 s GLY 46 CO 0.48 -0.16 1.79 -0.96 0.00 0.00 0.00 173.10 174.25 3gv4 n ARG 47 N -3.89 0.03 0.00 2.90 1.85 -1.26 -1.26 116.66 115.03 3gv4 n ARG 47 Ca 0.11 0.10 0.12 0.00 -1.00 0.00 0.00 57.85 57.18 3gv4 n ARG 47 Cb 0.60 -1.54 0.25 0.00 -1.05 0.00 0.00 32.46 30.72 3gv4 n ARG 47 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3gv4 n TYR 48 N -1.60 0.00 0.00 2.89 4.01 -1.26 -4.44 117.16 116.76 3gv4 n TYR 48 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3gv4 n TYR 48 Cb 0.30 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3gv4 n TYR 48 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gv4 n ILE 49 N -0.04 0.00 0.01 -0.72 2.08 -0.68 -4.98 119.36 115.03 3gv4 n ILE 49 Ca 0.13 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.45 3gv4 n ILE 49 Cb 0.42 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.33 3gv4 n ILE 49 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3gv4 n ASN 50 N 0.00 1.85 -1.55 4.38 3.02 -1.16 -5.03 115.26 116.77 3gv4 n ASN 50 Ca 0.00 -1.68 -0.15 0.00 -0.03 0.00 0.00 54.58 52.72 3gv4 n ASN 50 Cb 0.00 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 3gv4 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gv4 n GLY 51 N -0.13 0.24 0.13 7.41 0.00 -0.39 -4.91 105.19 107.54 3gv4 n GLY 51 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 3gv4 n GLY 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3gv4 h HIS 52 N 0.00 0.00 -0.52 1.61 3.86 -1.72 -1.44 115.15 116.93 3gv4 h HIS 52 Ca -0.34 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.74 3gv4 h HIS 52 Cb 1.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 3gv4 h HIS 52 CO 0.40 0.62 -0.16 1.98 0.86 0.00 0.00 177.93 181.64 3gv4 h MET 53 N 0.00 1.03 -0.66 2.45 -1.53 -1.43 0.24 114.93 115.03 3gv4 h MET 53 Ca -0.01 -0.41 0.02 0.00 -3.44 0.00 0.00 59.70 55.86 3gv4 h MET 53 Cb 1.23 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 32.20 3gv4 h MET 53 CO 0.08 1.09 0.43 1.25 0.14 0.00 0.00 176.91 179.90 3gv4 h LEU 54 N 0.90 0.72 -0.57 3.39 5.85 -1.74 0.82 115.31 124.68 3gv4 h LEU 54 Ca 0.13 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3gv4 h LEU 54 Cb 0.73 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3gv4 h LEU 54 CO 0.06 0.51 0.31 -0.61 -0.34 0.00 0.00 178.44 178.37 3gv4 h GLN 55 N 0.86 0.58 -0.53 1.25 4.15 -1.04 -0.72 115.11 119.66 3gv4 h GLN 55 Ca 0.25 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.65 3gv4 h GLN 55 Cb -0.05 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 3gv4 h GLN 55 CO -0.08 0.38 0.34 1.25 -1.93 0.00 0.00 178.83 178.80 3gv4 h HIS 56 N 0.59 0.65 -0.45 3.99 2.76 -0.24 -0.55 115.15 121.90 3gv4 h HIS 56 Ca 0.24 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.49 3gv4 h HIS 56 Cb 0.12 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 3gv4 h HIS 56 CO -0.09 0.40 0.15 1.25 -1.30 0.00 0.00 177.93 178.34 3gv4 h HIS 57 N 0.70 0.26 -0.80 5.26 -0.00 -0.42 0.53 115.15 120.67 3gv4 h HIS 57 Ca 0.20 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3gv4 h HIS 57 Cb -0.06 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.26 3gv4 h HIS 57 CO -0.04 0.09 0.53 0.78 -0.00 0.00 0.00 177.93 179.28 3gv4 h GLY 58 N 0.31 1.13 1.75 5.26 0.00 -0.54 0.30 103.07 111.27 3gv4 h GLY 58 Ca 0.21 -0.42 -0.25 0.00 0.00 0.00 0.00 47.33 46.88 3gv4 h GLY 58 CO -0.23 0.40 -1.17 3.43 0.00 0.00 0.00 176.54 178.98 3gv4 h ASN 59 N 1.07 0.24 0.00 0.19 2.35 -0.55 -3.39 115.58 115.50 3gv4 h ASN 59 Ca 0.30 -0.27 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 3gv4 h ASN 59 Cb -0.11 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3gv4 h ASN 59 CO -0.07 1.21 -1.86 -1.54 -1.65 0.00 0.00 177.43 173.52 3gv4 n SER 60 N -3.44 1.83 0.00 5.81 3.41 0.13 -5.01 113.62 116.34 3gv4 n SER 60 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3gv4 n SER 60 Cb 0.99 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 3gv4 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gv4 n GLY 61 N 2.16 0.78 3.71 5.00 0.00 0.10 -5.01 105.19 111.94 3gv4 n GLY 61 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3gv4 n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gv4 s HIS 62 N -3.27 2.77 -0.07 1.61 3.76 -1.26 -4.93 115.29 113.90 3gv4 s HIS 62 Ca 0.00 0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 3gv4 s HIS 62 Cb 0.00 -4.13 -0.25 0.00 1.11 0.00 0.00 32.58 29.30 3gv4 s HIS 62 CO 0.00 -4.36 0.57 -1.00 -0.85 0.00 0.00 174.74 169.10 3gv4 h PRO 63 N 7.16 0.17 -5.49 8.40 0.13 -1.94 -3.43 132.00 137.00 3gv4 h PRO 63 Ca -0.44 -0.30 -0.67 0.00 -0.87 0.00 0.00 66.00 63.73 3gv4 h PRO 63 Cb 1.20 0.11 -0.29 0.00 0.13 0.00 0.00 31.00 32.16 3gv4 h PRO 63 CO 0.95 0.95 -0.81 -0.51 -0.23 0.00 0.00 178.00 178.36 3gv4 s LEU 64 N -6.71 2.49 0.04 1.56 1.43 -1.26 -0.87 118.68 115.37 3gv4 s LEU 64 Ca -0.14 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3gv4 s LEU 64 Cb 0.07 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 3gv4 s LEU 64 CO 0.81 0.19 -0.09 0.68 0.23 0.00 0.00 176.35 178.17 3gv4 s VAL 65 N 0.19 0.62 -0.11 -1.59 -7.23 -0.64 -1.27 120.40 110.37 3gv4 s VAL 65 Ca -0.10 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 3gv4 s VAL 65 Cb -0.16 -0.66 -0.01 0.00 0.56 0.00 0.00 36.38 36.11 3gv4 s VAL 65 CO 0.06 -0.31 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.17 3gv4 s LEU 66 N -1.46 2.61 0.05 1.32 2.96 0.42 -0.87 118.68 123.72 3gv4 s LEU 66 Ca -0.08 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.19 3gv4 s LEU 66 Cb -0.09 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3gv4 s LEU 66 CO 0.01 0.20 1.07 -0.55 -1.32 0.00 0.00 176.35 175.75 3gv4 s SER 67 N 0.13 7.27 0.00 3.68 0.15 0.03 -0.41 113.70 124.55 3gv4 s SER 67 Ca -0.08 1.85 0.29 0.00 0.70 0.00 0.00 55.95 58.71 3gv4 s SER 67 Cb -0.15 -2.58 1.31 0.00 -1.71 0.00 0.00 66.02 62.89 3gv4 s SER 67 CO 0.05 -0.31 1.94 -1.22 1.20 0.00 0.00 173.24 174.90 3gv4 n TYR 68 N 3.62 0.00 -0.07 3.44 4.01 -0.17 -1.36 117.16 126.63 3gv4 n TYR 68 Ca 0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.69 3gv4 n TYR 68 Cb 0.49 -0.35 -0.08 0.00 -0.31 0.00 0.00 39.34 39.08 3gv4 n TYR 68 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3gv4 h ILE 69 N 0.07 0.86 0.00 -0.72 1.08 -1.92 -3.44 117.51 113.45 3gv4 h ILE 69 Ca 0.00 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.69 3gv4 h ILE 69 Cb 0.39 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 3gv4 h ILE 69 CO 0.00 0.29 -0.02 -0.90 -0.69 0.00 0.00 178.15 176.83 3gv4 n ASP 70 N -4.60 1.21 -2.21 1.72 5.75 -1.25 -5.01 116.55 112.16 3gv4 n ASP 70 Ca -0.13 -1.69 -0.20 0.00 -0.01 0.00 0.00 54.79 52.75 3gv4 n ASP 70 Cb 0.39 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 3gv4 n ASP 70 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gv4 n LEU 71 N -0.35 -1.86 -4.80 -2.12 4.77 -0.47 -4.98 117.00 107.19 3gv4 n LEU 71 Ca 0.01 0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 3gv4 n LEU 71 Cb 0.38 -2.87 -0.06 0.00 -2.33 0.00 0.00 43.42 38.54 3gv4 n LEU 71 CO 0.00 -0.35 0.42 -0.44 -1.33 0.00 0.00 177.39 175.70 3gv4 s SER 72 N -2.19 7.20 -0.18 -1.43 0.01 -1.26 -4.79 113.70 111.06 3gv4 s SER 72 Ca 0.00 1.49 -0.04 0.00 1.31 0.00 0.00 55.95 58.71 3gv4 s SER 72 Cb 0.00 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 3gv4 s SER 72 CO 0.00 0.14 -0.02 0.00 0.41 0.00 0.00 173.24 173.78 3gv4 s ALA 73 N -1.30 3.00 -0.11 1.44 0.00 -1.26 -0.79 121.76 122.73 3gv4 s ALA 73 Ca 0.38 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 3gv4 s ALA 73 Cb -0.20 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 3gv4 s ALA 73 CO 0.23 -0.03 -0.07 -0.46 0.00 0.00 0.00 175.76 175.44 3gv4 s TRP 74 N 0.79 2.95 -0.28 0.00 -0.11 -0.05 -0.94 118.94 121.30 3gv4 s TRP 74 Ca -0.00 -0.20 -0.10 0.00 1.22 0.00 0.00 56.10 57.02 3gv4 s TRP 74 Cb -0.14 -1.83 -0.03 0.00 -1.50 0.00 0.00 33.47 29.97 3gv4 s TRP 74 CO 0.02 0.11 0.15 0.00 -4.62 0.00 0.00 176.95 172.61 3gv4 h TYR 76 N 8.33 0.88 0.03 0.00 0.05 -1.31 0.30 116.97 125.25 3gv4 h TYR 76 Ca -0.35 -0.04 -0.18 0.00 0.05 0.00 0.00 58.73 58.20 3gv4 h TYR 76 Cb 1.18 -0.27 0.02 0.00 1.01 0.00 0.00 36.73 38.66 3gv4 h TYR 76 CO 0.70 0.66 -0.73 1.88 -1.05 0.00 0.00 178.16 179.63 3gv4 h TYR 77 N 0.87 0.67 0.00 4.88 0.05 -1.94 -3.19 116.97 118.31 3gv4 h TYR 77 Ca 0.21 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3gv4 h TYR 77 Cb 0.14 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3gv4 h TYR 77 CO 0.01 1.22 0.00 0.00 -1.05 0.00 0.00 178.16 178.34 3gv4 n GLN 79 N -2.48 -4.86 -3.51 0.00 6.02 0.10 -4.98 117.38 107.68 3gv4 n GLN 79 Ca 0.03 0.63 -0.14 0.00 -0.01 0.00 0.00 57.00 57.51 3gv4 n GLN 79 Cb 0.36 -5.20 -0.04 0.00 1.02 0.00 0.00 30.24 26.37 3gv4 n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gv4 s ALA 80 N -3.65 -1.53 0.26 -1.58 0.00 -1.11 -5.01 121.76 109.13 3gv4 s ALA 80 Ca 0.02 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 3gv4 s ALA 80 Cb -0.01 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.49 3gv4 s ALA 80 CO 0.81 -0.56 1.08 0.71 0.00 0.00 0.00 175.76 177.80 3gv4 s TYR 81 N -2.59 3.62 -0.07 0.00 2.02 -1.26 -0.99 117.35 118.09 3gv4 s TYR 81 Ca -0.04 1.70 0.05 0.00 -0.37 0.00 0.00 57.07 58.40 3gv4 s TYR 81 Cb -0.01 -3.25 -0.00 0.00 -0.40 0.00 0.00 41.96 38.30 3gv4 s TYR 81 CO -0.03 -0.47 -0.22 0.08 -1.57 0.00 0.00 175.55 173.35 3gv4 s VAL 82 N -0.98 1.82 -0.06 0.71 1.01 -0.12 -0.44 120.40 122.34 3gv4 s VAL 82 Ca 0.45 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3gv4 s VAL 82 Cb -0.31 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3gv4 s VAL 82 CO 0.39 0.51 -0.15 -1.38 0.00 0.00 0.00 175.10 174.47 3gv4 s HIS 83 N 0.12 1.63 -0.10 5.22 -3.43 0.19 -4.31 115.29 114.60 3gv4 s HIS 83 Ca -0.09 -0.58 -0.31 0.00 -0.80 0.00 0.00 55.06 53.28 3gv4 s HIS 83 Cb -0.15 -1.15 0.09 0.00 -1.43 0.00 0.00 32.58 29.94 3gv4 s HIS 83 CO 0.05 -0.26 0.81 -1.58 -2.00 0.00 0.00 174.74 171.75 3gv4 s HIS 84 N 0.47 -0.55 0.37 0.38 5.04 -1.26 -3.94 115.29 115.81 3gv4 s HIS 84 Ca -0.12 0.94 0.37 0.00 -1.54 0.00 0.00 55.06 54.71 3gv4 s HIS 84 Cb -0.15 0.42 2.00 0.00 0.04 0.00 0.00 32.58 34.90 3gv4 s HIS 84 CO 0.04 -0.50 2.14 1.96 -2.34 0.00 0.00 174.74 176.05 3gv4 h GLN 85 N 2.86 0.00 0.00 2.88 1.08 -2.00 0.00 115.11 119.93 3gv4 h GLN 85 Ca -0.24 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3gv4 h GLN 85 Cb 1.15 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3gv4 h GLN 85 CO 0.35 0.00 -0.01 0.00 -0.95 0.00 0.00 178.83 178.23 3gv4 h ALA 86 N 2.01 1.08 -0.02 3.87 0.00 -1.99 -2.24 119.26 121.96 3gv4 h ALA 86 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gv4 h ALA 86 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gv4 h ALA 86 CO 0.00 0.01 -0.11 1.28 0.00 0.00 0.00 179.25 180.43 3gv4 n LEU 87 N -3.21 2.57 -0.08 0.00 4.77 -0.01 -4.55 117.00 116.48 3gv4 n LEU 87 Ca -0.02 -0.87 -0.07 0.00 -0.03 0.00 0.00 56.01 55.02 3gv4 n LEU 87 Cb 0.11 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3gv4 n LEU 87 CO 0.22 0.44 0.89 0.25 -1.33 0.00 0.00 177.39 177.87 3gv4 h LEU 88 N 3.87 0.01 -0.04 2.23 7.12 -1.48 -2.25 115.31 124.76 3gv4 h LEU 88 Ca 0.00 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 3gv4 h LEU 88 Cb 0.88 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 41.07 3gv4 h LEU 88 CO 0.00 0.04 0.02 0.44 -0.13 0.00 0.00 178.44 178.81 3gv4 h ASP 89 N 0.17 0.06 -0.75 1.25 3.32 -1.80 -1.02 116.42 117.64 3gv4 h ASP 89 Ca 0.14 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3gv4 h ASP 89 Cb 0.15 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3gv4 h ASP 89 CO -0.19 0.23 0.36 1.62 -1.72 0.00 0.00 179.24 179.54 3gv4 h VAL 90 N -0.11 1.24 -0.58 -1.35 3.04 -1.84 0.14 116.25 116.80 3gv4 h VAL 90 Ca 0.01 -0.69 -0.09 0.00 -1.01 0.00 0.00 66.70 64.93 3gv4 h VAL 90 Cb 0.19 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 3gv4 h VAL 90 CO -0.00 0.29 0.01 0.11 -1.01 0.00 0.00 177.57 176.96 3gv4 h LYS 91 N 1.06 0.99 -0.49 4.17 1.57 -1.29 -1.05 116.57 121.53 3gv4 h LYS 91 Ca 0.26 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3gv4 h LYS 91 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3gv4 h LYS 91 CO -0.03 0.97 0.13 -0.91 -0.57 0.00 0.00 179.45 179.04 3gv4 h ASN 92 N 0.91 0.73 -0.58 0.86 2.35 -0.69 -0.05 115.58 119.12 3gv4 h ASN 92 Ca 0.17 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3gv4 h ASN 92 Cb 0.52 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3gv4 h ASN 92 CO 0.03 0.77 0.29 0.40 -1.65 0.00 0.00 177.43 177.26 3gv4 h ILE 93 N 0.67 1.20 -0.18 2.81 1.08 -0.75 0.65 117.51 122.98 3gv4 h ILE 93 Ca 0.16 -0.55 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3gv4 h ILE 93 Cb 0.31 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 3gv4 h ILE 93 CO -0.00 0.23 0.10 0.00 -0.69 0.00 0.00 178.15 177.78 3gv4 h ALA 94 N 1.12 0.23 -0.62 1.87 0.00 -1.10 -2.21 119.26 118.55 3gv4 h ALA 94 Ca 0.20 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3gv4 h ALA 94 Cb 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3gv4 h ALA 94 CO -0.03 -0.23 0.35 1.25 0.00 0.00 0.00 179.25 180.59 3gv4 h HIS 95 N 0.18 0.65 -0.61 0.00 -0.00 -0.64 -0.32 115.15 114.41 3gv4 h HIS 95 Ca 0.06 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.38 3gv4 h HIS 95 Cb 0.08 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 3gv4 h HIS 95 CO -0.04 0.33 0.07 0.37 -0.00 0.00 0.00 177.93 178.66 3gv4 h GLN 96 N 0.67 1.02 -0.26 5.26 5.75 -0.74 -0.91 115.11 125.91 3gv4 h GLN 96 Ca 0.27 -0.28 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 3gv4 h GLN 96 Cb 0.13 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3gv4 h GLN 96 CO -0.16 0.96 -0.34 -0.97 -2.65 0.00 0.00 178.83 175.67 3gv4 h ASN 97 N 0.95 0.58 -0.26 -0.69 -0.73 -0.99 -3.22 115.58 111.22 3gv4 h ASN 97 Ca 0.18 -0.23 -0.18 0.00 1.87 0.00 0.00 56.30 57.94 3gv4 h ASN 97 Cb 0.46 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 3gv4 h ASN 97 CO 0.02 0.88 -0.52 0.50 -0.37 0.00 0.00 177.43 177.93 3gv4 h LYS 98 N 0.47 0.85 -0.01 6.67 3.64 -0.61 -3.46 116.57 124.12 3gv4 h LYS 98 Ca 0.05 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3gv4 h LYS 98 Cb 0.82 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3gv4 h LYS 98 CO 0.07 1.16 0.00 1.19 -2.27 0.00 0.00 179.45 179.59