#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gc4 s PRO 2 N 0.00 3.39 -0.04 0.00 0.04 -1.26 -5.00 135.00 132.13 2gc4 s PRO 2 Ca 0.00 2.11 -0.07 0.00 0.04 0.00 0.00 61.00 63.08 2gc4 s PRO 2 Cb 0.00 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 2gc4 s PRO 2 CO 0.00 -0.95 0.23 -0.65 0.04 0.00 0.00 177.00 175.67 2gc4 s GLN 3 N -2.78 3.56 -0.22 4.56 -0.21 -1.26 -5.00 119.66 118.30 2gc4 s GLN 3 Ca 0.68 -0.06 -0.01 0.00 0.02 0.00 0.00 55.36 55.99 2gc4 s GLN 3 Cb -0.37 -3.14 0.02 0.00 1.00 0.00 0.00 33.01 30.52 2gc4 s GLN 3 CO 0.45 0.70 -0.11 -0.06 -2.12 0.00 0.00 175.29 174.15 2gc4 s PHE 4 N -1.18 2.95 0.10 0.91 0.08 -1.26 -5.04 117.98 114.54 2gc4 s PHE 4 Ca 0.22 -1.47 0.06 0.00 0.12 0.00 0.00 56.93 55.86 2gc4 s PHE 4 Cb -0.13 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2gc4 s PHE 4 CO 0.12 -0.72 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.29 2gc4 s PHE 5 N 1.34 1.45 0.18 0.36 0.08 -1.26 -1.44 117.98 118.69 2gc4 s PHE 5 Ca 0.03 -0.47 -0.32 0.00 0.12 0.00 0.00 56.93 56.29 2gc4 s PHE 5 Cb -0.15 -0.79 -0.11 0.00 -0.57 0.00 0.00 43.02 41.40 2gc4 s PHE 5 CO -0.07 0.13 1.67 1.21 -0.10 0.00 0.00 175.22 178.07 2gc4 s ASN 6 N -1.99 6.46 0.33 1.36 3.84 0.17 -4.85 114.94 120.26 2gc4 s ASN 6 Ca 0.04 2.76 0.26 0.00 0.21 0.00 0.00 52.86 56.13 2gc4 s ASN 6 Cb -0.09 -2.59 1.12 0.00 -0.55 0.00 0.00 41.25 39.14 2gc4 s ASN 6 CO 0.03 -0.92 1.77 0.16 -2.79 0.00 0.00 177.10 175.35 2gc4 h ILE 7 N 3.97 0.00 0.00 -5.21 3.07 -1.82 -0.95 117.51 116.57 2gc4 h ILE 7 Ca -0.43 -0.24 -0.07 0.00 1.55 0.00 0.00 64.86 65.68 2gc4 h ILE 7 Cb 1.20 0.99 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 2gc4 h ILE 7 CO 0.94 0.00 -0.92 -0.38 -1.05 0.00 0.00 178.15 176.74 2gc4 n ILE 8 N -2.41 1.47 0.71 0.16 2.08 -1.26 -4.67 119.36 115.44 2gc4 n ILE 8 Ca 0.01 0.12 0.11 0.00 0.56 0.00 0.00 62.75 63.55 2gc4 n ILE 8 Cb 0.21 -2.30 0.13 0.00 -0.75 0.00 0.00 39.64 36.93 2gc4 n ILE 8 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2gc4 n ASP 9 N -4.52 3.01 0.00 4.38 3.85 -1.25 -4.98 116.55 117.04 2gc4 n ASP 9 Ca -0.16 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 51.98 2gc4 n ASP 9 Cb 0.44 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 2gc4 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gc4 n GLY 10 N 1.29 0.36 3.78 6.12 0.00 -0.36 -4.98 105.19 111.40 2gc4 n GLY 10 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2gc4 n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gc4 s SER 11 N -2.25 5.82 0.38 1.61 1.04 -1.26 -4.49 113.70 114.54 2gc4 s SER 11 Ca 0.00 2.10 -0.27 0.00 0.48 0.00 0.00 55.95 58.26 2gc4 s SER 11 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 2gc4 s SER 11 CO 0.00 -1.15 1.24 -2.16 0.98 0.00 0.00 173.24 172.15 2gc4 s PRO 12 N -3.35 4.14 0.20 4.02 0.04 -1.26 0.43 135.00 139.21 2gc4 s PRO 12 Ca 0.71 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.48 2gc4 s PRO 12 Cb -0.22 -2.83 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 2gc4 s PRO 12 CO 0.27 -0.31 1.12 -0.51 0.04 0.00 0.00 177.00 177.61 2gc4 s LEU 13 N -2.24 4.49 -0.43 -3.56 1.43 -0.52 -4.78 118.68 113.08 2gc4 s LEU 13 Ca 0.54 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.67 2gc4 s LEU 13 Cb -0.35 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.31 2gc4 s LEU 13 CO 0.45 -0.24 0.31 0.21 0.23 0.00 0.00 176.35 177.32 2gc4 s ASN 14 N -0.22 5.94 0.00 2.29 2.47 -1.26 -4.93 114.94 119.22 2gc4 s ASN 14 Ca 0.49 -1.22 0.18 0.00 0.42 0.00 0.00 52.86 52.73 2gc4 s ASN 14 Cb -0.31 -2.10 1.05 0.00 -1.45 0.00 0.00 41.25 38.44 2gc4 s ASN 14 CO 0.36 -0.53 1.52 0.49 -3.72 0.00 0.00 177.10 175.22 2gc4 n PHE 15 N 5.09 0.00 0.19 0.43 3.01 -1.26 -2.84 117.46 122.08 2gc4 n PHE 15 Ca -0.11 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.40 2gc4 n PHE 15 Cb 0.45 0.00 0.37 0.00 -0.01 0.00 0.00 39.48 40.28 2gc4 n PHE 15 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2gc4 h ASP 16 N 0.00 0.00 1.67 4.37 3.45 -2.01 -2.59 116.42 121.30 2gc4 h ASP 16 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2gc4 h ASP 16 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2gc4 h ASP 16 CO 0.00 0.36 -0.07 0.44 -1.57 0.00 0.00 179.24 178.40 2gc4 h ASP 17 N 0.00 0.00 -3.92 6.45 3.32 -1.95 -3.46 116.42 116.86 2gc4 h ASP 17 Ca -0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2gc4 h ASP 17 Cb 0.82 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.53 2gc4 h ASP 17 CO 0.05 0.07 0.45 0.00 -1.72 0.00 0.00 179.24 178.09 2gc4 n ALA 18 N -2.12 1.06 -1.45 3.45 0.00 -0.98 -4.82 120.51 115.66 2gc4 n ALA 18 Ca 0.03 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.19 2gc4 n ALA 18 Cb 0.50 -2.28 0.06 0.00 0.00 0.00 0.00 19.45 17.73 2gc4 n ALA 18 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2gc4 s MET 19 N -3.02 2.57 0.00 0.00 -1.94 -1.26 -4.97 119.30 110.68 2gc4 s MET 19 Ca 0.77 1.50 -0.23 0.00 -1.71 0.00 0.00 55.69 56.02 2gc4 s MET 19 Cb -0.41 -1.91 -0.18 0.00 2.01 0.00 0.00 34.83 34.34 2gc4 s MET 19 CO 0.45 -1.45 1.25 0.93 -0.01 0.00 0.00 175.02 176.20 2gc4 h GLU 20 N -0.11 0.23 -7.20 2.03 3.07 -1.97 -3.43 114.58 107.21 2gc4 h GLU 20 Ca -0.47 -0.15 -0.51 0.00 -0.50 0.00 0.00 59.36 57.73 2gc4 h GLU 20 Cb 1.26 0.02 0.11 0.00 -0.84 0.00 0.00 28.75 29.29 2gc4 h GLU 20 CO 0.53 0.73 0.37 -1.83 -1.40 0.00 0.00 179.01 177.41 2gc4 s GLU 21 N -4.01 2.75 -1.47 2.33 1.03 -1.26 -3.54 118.70 114.52 2gc4 s GLU 21 Ca -0.15 1.41 -0.11 0.00 0.03 0.00 0.00 54.97 56.15 2gc4 s GLU 21 Cb 0.03 -1.94 0.05 0.00 -0.80 0.00 0.00 34.13 31.47 2gc4 s GLU 21 CO 0.73 -1.29 0.94 0.41 -1.33 0.00 0.00 175.26 174.72 2gc4 n GLY 22 N -0.48 -0.52 0.00 -3.83 0.00 -1.26 -4.52 105.19 94.58 2gc4 n GLY 22 Ca 0.10 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.34 2gc4 n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2gc4 n ARG 23 N -4.60 4.70 -0.50 1.61 0.63 -1.23 -1.46 116.66 115.81 2gc4 n ARG 23 Ca 0.01 -0.01 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 2gc4 n ARG 23 Cb 0.55 -0.75 0.15 0.00 0.45 0.00 0.00 32.46 32.85 2gc4 n ARG 23 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2gc4 n ASP 24 N -1.19 1.71 -4.78 6.15 9.92 -1.26 -4.76 116.55 122.34 2gc4 n ASP 24 Ca 0.00 -3.24 -0.30 0.00 -0.53 0.00 0.00 54.79 50.72 2gc4 n ASP 24 Cb 0.07 -0.44 0.09 0.00 -0.64 0.00 0.00 41.12 40.20 2gc4 n ASP 24 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2gc4 s THR 25 N -2.47 3.29 0.28 -3.53 -4.23 -1.26 -4.84 115.64 102.88 2gc4 s THR 25 Ca 0.32 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 2gc4 s THR 25 Cb 0.31 -3.03 0.19 0.00 1.34 0.00 0.00 72.50 71.32 2gc4 s THR 25 CO -0.04 -0.55 1.87 -0.33 -0.54 0.00 0.00 174.62 175.03 2gc4 h GLU 26 N -1.11 0.98 -0.35 3.99 4.39 -1.99 -2.04 114.58 118.44 2gc4 h GLU 26 Ca -0.46 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.12 2gc4 h GLU 26 Cb 1.25 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 2gc4 h GLU 26 CO 0.55 0.77 0.20 0.00 -1.16 0.00 0.00 179.01 179.37 2gc4 h ALA 27 N 1.37 0.44 -0.22 3.43 0.00 -1.99 0.35 119.26 122.64 2gc4 h ALA 27 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2gc4 h ALA 27 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2gc4 h ALA 27 CO -0.03 -0.16 0.07 0.28 0.00 0.00 0.00 179.25 179.42 2gc4 h VAL 28 N 0.40 1.19 -0.82 0.00 2.07 -1.85 -0.41 116.25 116.84 2gc4 h VAL 28 Ca 0.14 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2gc4 h VAL 28 Cb 0.02 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2gc4 h VAL 28 CO -0.08 0.19 0.49 0.11 0.02 0.00 0.00 177.57 178.31 2gc4 h LYS 29 N 0.19 1.11 -0.46 1.57 1.57 -1.19 -0.87 116.57 118.49 2gc4 h LYS 29 Ca 0.07 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2gc4 h LYS 29 Cb 0.22 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2gc4 h LYS 29 CO -0.00 0.78 -0.12 1.25 -0.57 0.00 0.00 179.45 180.79 2gc4 h HIS 30 N 1.12 0.95 -0.14 -1.35 2.76 -0.75 -2.65 115.15 115.09 2gc4 h HIS 30 Ca 0.29 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2gc4 h HIS 30 Cb -0.04 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 2gc4 h HIS 30 CO -0.00 0.92 0.01 0.35 -1.30 0.00 0.00 177.93 177.91 2gc4 h PHE 31 N 0.77 0.26 0.00 5.26 3.57 -0.56 0.13 116.94 126.36 2gc4 h PHE 31 Ca 0.12 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2gc4 h PHE 31 Cb 0.63 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2gc4 h PHE 31 CO 0.04 0.45 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.42 2gc4 h LEU 32 N -0.01 0.00 0.14 0.59 3.38 -1.15 0.94 115.31 119.20 2gc4 h LEU 32 Ca 0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.69 2gc4 h LEU 32 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gc4 h LEU 32 CO 0.01 0.08 -1.65 -0.08 0.09 0.00 0.00 178.44 176.89 2gc4 h GLU 33 N 0.00 0.30 0.00 1.13 4.81 -1.26 -3.13 114.58 116.43 2gc4 h GLU 33 Ca -0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2gc4 h GLU 33 Cb 0.18 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2gc4 h GLU 33 CO 0.01 1.25 -1.20 0.25 -0.73 0.00 0.00 179.01 178.59 2gc4 n THR 34 N -3.73 0.00 -0.98 0.32 -2.24 0.43 -3.01 114.28 105.07 2gc4 n THR 34 Ca -0.26 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2gc4 n THR 34 Cb 0.99 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2gc4 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gc4 n GLY 35 N 1.82 0.66 3.82 3.38 0.00 0.32 -4.88 105.19 110.32 2gc4 n GLY 35 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2gc4 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gc4 s GLU 36 N -0.02 3.73 -0.48 1.61 2.02 -1.26 -4.27 118.70 120.03 2gc4 s GLU 36 Ca 0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 54.97 54.69 2gc4 s GLU 36 Cb 0.00 -3.27 0.10 0.00 0.10 0.00 0.00 34.13 31.06 2gc4 s GLU 36 CO 0.00 0.59 0.38 1.21 0.02 0.00 0.00 175.26 177.46 2gc4 s ASN 37 N -0.48 5.93 0.00 -0.19 2.47 -1.26 -3.65 114.94 117.76 2gc4 s ASN 37 Ca 0.12 -1.64 0.08 0.00 0.42 0.00 0.00 52.86 51.84 2gc4 s ASN 37 Cb -0.12 -2.10 0.33 0.00 -1.45 0.00 0.00 41.25 37.92 2gc4 s ASN 37 CO 0.02 -0.69 1.24 1.33 -3.72 0.00 0.00 177.10 175.27 2gc4 n VAL 38 N 5.08 1.43 0.82 -5.21 0.24 -1.26 -2.31 118.33 117.11 2gc4 n VAL 38 Ca -0.11 0.36 0.13 0.00 -2.04 0.00 0.00 64.34 62.68 2gc4 n VAL 38 Cb 0.42 -1.22 0.52 0.00 -1.47 0.00 0.00 33.84 32.08 2gc4 n VAL 38 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2gc4 n TYR 39 N -1.49 0.34 -1.69 6.34 4.01 -1.26 -4.68 117.16 118.72 2gc4 n TYR 39 Ca 0.02 0.10 -0.43 0.00 -0.16 0.00 0.00 57.90 57.43 2gc4 n TYR 39 Cb 0.09 -0.67 -0.03 0.00 -0.31 0.00 0.00 39.34 38.42 2gc4 n TYR 39 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gc4 n ASN 40 N -1.78 3.89 -2.10 7.72 3.02 -0.98 -1.82 115.26 123.21 2gc4 n ASN 40 Ca 0.06 1.01 -0.17 0.00 -0.03 0.00 0.00 54.58 55.46 2gc4 n ASN 40 Cb 0.35 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 37.97 2gc4 n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gc4 n GLU 41 N 5.12 -1.76 -2.97 3.52 -0.58 -1.26 -4.93 120.64 117.79 2gc4 n GLU 41 Ca 0.18 0.86 -0.44 0.00 -0.42 0.00 0.00 57.16 57.35 2gc4 n GLU 41 Cb 0.35 -5.39 -0.04 0.00 -0.57 0.00 0.00 31.44 25.79 2gc4 n GLU 41 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2gc4 s ASP 42 N -2.16 6.21 0.58 1.62 3.68 -0.75 -4.94 116.67 120.90 2gc4 s ASP 42 Ca 0.00 -0.98 0.29 0.00 2.13 0.00 0.00 52.55 53.99 2gc4 s ASP 42 Cb 0.00 -2.37 1.45 0.00 -1.45 0.00 0.00 42.92 40.55 2gc4 s ASP 42 CO 0.00 -1.23 1.87 1.55 0.13 0.00 0.00 175.17 177.49 2gc4 h PRO 43 N 9.33 0.00 -0.00 4.34 0.13 -1.91 -1.70 132.00 142.19 2gc4 h PRO 43 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2gc4 h PRO 43 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2gc4 h PRO 43 CO 1.11 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 178.00 2gc4 n GLU 44 N -3.79 0.32 0.00 0.86 0.28 -1.26 -3.87 120.64 113.18 2gc4 n GLU 44 Ca 0.11 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2gc4 n GLU 44 Cb 0.76 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.13 2gc4 n GLU 44 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2gc4 n ILE 45 N -1.32 0.00 -0.30 3.84 -6.64 -0.67 -4.73 119.36 109.55 2gc4 n ILE 45 Ca 0.12 -0.09 0.09 0.00 -1.77 0.00 0.00 62.75 61.10 2gc4 n ILE 45 Cb 0.28 0.58 0.31 0.00 -1.44 0.00 0.00 39.64 39.37 2gc4 n ILE 45 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 2gc4 h LEU 46 N 0.00 0.78 -0.25 7.28 3.38 -1.60 0.20 115.31 125.11 2gc4 h LEU 46 Ca 0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2gc4 h LEU 46 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2gc4 h LEU 46 CO 0.00 0.43 0.03 -0.65 0.09 0.00 0.00 178.44 178.33 2gc4 h PRO 47 N 0.84 0.11 -0.30 1.13 0.11 -1.85 -0.55 132.00 131.49 2gc4 h PRO 47 Ca 0.45 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.43 2gc4 h PRO 47 Cb 0.54 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2gc4 h PRO 47 CO -0.21 0.07 -0.31 1.49 -0.21 0.00 0.00 178.00 178.83 2gc4 h GLU 48 N 0.12 0.65 -0.91 1.05 4.81 -1.67 -2.99 114.58 115.64 2gc4 h GLU 48 Ca 0.12 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2gc4 h GLU 48 Cb 0.13 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2gc4 h GLU 48 CO -0.17 0.88 0.60 0.00 -0.73 0.00 0.00 179.01 179.59 2gc4 h ALA 49 N 1.10 1.39 -0.81 2.92 0.00 -0.41 -1.83 119.26 121.61 2gc4 h ALA 49 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2gc4 h ALA 49 Cb 0.81 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2gc4 h ALA 49 CO 0.07 0.54 0.38 1.49 0.00 0.00 0.00 179.25 181.73 2gc4 h GLU 50 N 1.18 1.17 -0.22 0.00 4.81 -0.97 -1.48 114.58 119.07 2gc4 h GLU 50 Ca 0.35 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 2gc4 h GLU 50 Cb -0.06 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2gc4 h GLU 50 CO -0.09 0.90 -0.49 0.93 -0.73 0.00 0.00 179.01 179.53 2gc4 h GLU 51 N 1.16 0.60 -0.32 1.92 3.07 -1.36 -0.92 114.58 118.73 2gc4 h GLU 51 Ca 0.28 -0.35 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2gc4 h GLU 51 Cb 0.12 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2gc4 h GLU 51 CO -0.03 0.95 0.13 -0.07 -1.40 0.00 0.00 179.01 178.59 2gc4 h LEU 52 N 0.47 0.43 -0.06 1.33 3.38 -1.02 -1.60 115.31 118.25 2gc4 h LEU 52 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2gc4 h LEU 52 Cb 1.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2gc4 h LEU 52 CO 0.09 0.47 0.03 0.22 0.09 0.00 0.00 178.44 179.35 2gc4 h TYR 53 N 0.37 0.09 -0.46 1.13 3.20 -1.18 -1.71 116.97 118.40 2gc4 h TYR 53 Ca 0.11 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.06 2gc4 h TYR 53 Cb 0.17 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 2gc4 h TYR 53 CO -0.01 0.14 -0.03 0.00 -1.64 0.00 0.00 178.16 176.63 2gc4 h ALA 54 N 0.94 0.40 0.00 1.82 0.00 -0.99 0.50 119.26 121.93 2gc4 h ALA 54 Ca 0.02 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 2gc4 h ALA 54 Cb 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2gc4 h ALA 54 CO -0.00 -0.41 -0.84 0.78 0.00 0.00 0.00 179.25 178.78 2gc4 h GLY 55 N 0.08 0.14 0.00 0.00 0.00 -1.21 -3.28 103.07 98.81 2gc4 h GLY 55 Ca 0.23 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 47.05 2gc4 h GLY 55 CO -0.41 0.22 -2.20 1.03 0.00 0.00 0.00 176.54 175.18 2gc4 n MET 56 N -3.64 0.87 -0.01 4.80 2.81 -0.65 -4.81 117.12 116.50 2gc4 n MET 56 Ca -0.02 -0.05 -0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2gc4 n MET 56 Cb 0.79 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.81 2gc4 n MET 56 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gc4 h SER 58 N 0.00 -0.47 -0.94 0.00 0.87 -1.36 -1.07 113.55 110.57 2gc4 h SER 58 Ca -0.03 0.21 0.18 0.00 -1.23 0.00 0.00 61.79 60.92 2gc4 h SER 58 Cb 0.89 0.39 -0.10 0.00 -0.44 0.00 0.00 62.40 63.14 2gc4 h SER 58 CO 0.00 -0.21 0.54 1.23 -0.53 0.00 0.00 176.83 177.86 2gc4 h GLY 59 N 0.06 1.63 0.00 5.77 0.00 -1.87 -0.04 103.07 108.62 2gc4 h GLY 59 Ca 0.40 -0.31 -0.36 0.00 0.00 0.00 0.00 47.33 47.06 2gc4 h GLY 59 CO -0.71 -0.07 -2.35 0.00 0.00 0.00 0.00 176.54 173.41 2gc4 n HIS 61 N -2.82 0.00 0.00 0.00 -0.00 -0.45 0.49 115.22 112.44 2gc4 n HIS 61 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 2gc4 n HIS 61 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.09 2gc4 n HIS 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gc4 n GLY 62 N 1.44 2.26 0.37 -1.41 0.00 -0.03 0.15 105.19 107.97 2gc4 n GLY 62 Ca 0.08 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.41 2gc4 n GLY 62 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gc4 h HIS 63 N 0.00 0.86 -0.10 1.61 -0.00 -1.93 -2.38 115.15 113.20 2gc4 h HIS 63 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2gc4 h HIS 63 Cb 0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 2gc4 h HIS 63 CO 0.00 0.36 -0.28 0.66 -0.00 0.00 0.00 177.93 178.67 2gc4 n TYR 64 N -4.54 0.33 -1.94 5.26 4.01 -1.26 -4.95 117.16 114.07 2gc4 n TYR 64 Ca 0.16 -1.41 -0.19 0.00 -0.16 0.00 0.00 57.90 56.31 2gc4 n TYR 64 Cb 0.39 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 2gc4 n TYR 64 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gc4 n ALA 65 N -1.14 -0.46 0.59 -0.72 0.00 -0.90 -4.79 120.51 113.10 2gc4 n ALA 65 Ca 0.22 0.23 0.13 0.00 0.00 0.00 0.00 53.44 54.02 2gc4 n ALA 65 Cb 0.78 -1.94 0.44 0.00 0.00 0.00 0.00 19.45 18.73 2gc4 n ALA 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2gc4 n GLU 66 N -2.57 0.23 0.00 0.00 0.00 -1.18 -0.62 120.64 116.51 2gc4 n GLU 66 Ca -0.20 0.25 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2gc4 n GLU 66 Cb 0.64 -1.80 0.00 0.00 0.00 0.00 0.00 31.44 30.28 2gc4 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gc4 n GLY 67 N 0.99 2.43 0.00 -1.84 0.00 0.12 -4.24 105.19 102.65 2gc4 n GLY 67 Ca 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2gc4 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gc4 n LYS 68 N 1.42 0.00 -0.03 1.61 4.81 -1.21 -4.51 118.16 120.25 2gc4 n LYS 68 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2gc4 n LYS 68 Cb 0.00 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.13 2gc4 n LYS 68 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2gc4 h ILE 69 N 0.00 1.29 -1.28 3.15 1.08 -1.48 -3.44 117.51 116.84 2gc4 h ILE 69 Ca 0.00 -1.56 -0.54 0.00 -0.39 0.00 0.00 64.86 62.37 2gc4 h ILE 69 Cb 0.00 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 2gc4 h ILE 69 CO 0.00 0.50 -0.38 -0.83 -0.69 0.00 0.00 178.15 176.75 2gc4 s GLY 70 N -4.01 2.25 0.82 5.37 0.00 0.18 -5.03 107.32 106.90 2gc4 s GLY 70 Ca -0.08 -1.78 -0.10 0.00 0.00 0.00 0.00 44.72 42.75 2gc4 s GLY 70 CO 0.83 -1.82 1.10 2.56 0.00 0.00 0.00 173.10 175.78 2gc4 s PRO 71 N -4.12 1.87 0.63 2.90 0.04 -1.26 -4.61 135.00 130.45 2gc4 s PRO 71 Ca 0.43 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 2gc4 s PRO 71 Cb -0.01 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2gc4 s PRO 71 CO 0.25 -1.93 1.10 0.20 0.04 0.00 0.00 177.00 176.65 2gc4 s GLY 72 N -3.22 2.19 -0.03 0.56 0.00 -1.26 -4.45 107.32 101.10 2gc4 s GLY 72 Ca 0.63 0.52 0.05 0.00 0.00 0.00 0.00 44.72 45.92 2gc4 s GLY 72 CO 0.57 0.87 0.92 1.04 0.00 0.00 0.00 173.10 176.49 2gc4 n LEU 73 N -2.19 1.11 -1.09 0.66 4.77 0.21 -4.83 117.00 115.64 2gc4 n LEU 73 Ca 0.10 -1.56 0.08 0.00 -0.03 0.00 0.00 56.01 54.60 2gc4 n LEU 73 Cb 0.52 -0.11 0.27 0.00 -2.33 0.00 0.00 43.42 41.76 2gc4 n LEU 73 CO 0.47 0.37 0.73 -0.46 -1.33 0.00 0.00 177.39 177.17 2gc4 n ASN 74 N -0.50 3.92 -3.65 -1.43 6.94 -1.10 -4.80 115.26 114.64 2gc4 n ASN 74 Ca 0.04 -2.43 -0.23 0.00 -0.02 0.00 0.00 54.58 51.94 2gc4 n ASN 74 Cb 0.52 -0.45 -0.07 0.00 -2.36 0.00 0.00 39.78 37.42 2gc4 n ASN 74 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2gc4 n ASP 75 N 0.53 0.85 0.00 0.53 3.85 -1.26 -1.02 116.55 120.03 2gc4 n ASP 75 Ca 0.20 -3.09 0.09 0.00 -0.71 0.00 0.00 54.79 51.28 2gc4 n ASP 75 Cb 0.73 1.11 0.49 0.00 -1.35 0.00 0.00 41.12 42.10 2gc4 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gc4 n ALA 76 N -1.08 2.04 -2.70 2.12 0.00 -1.26 -4.78 120.51 114.85 2gc4 n ALA 76 Ca -0.14 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 2gc4 n ALA 76 Cb 0.59 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 2gc4 n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2gc4 s TYR 77 N -2.43 3.55 -0.05 0.00 5.04 -1.26 -5.06 117.35 117.13 2gc4 s TYR 77 Ca 0.20 0.67 0.01 0.00 -2.44 0.00 0.00 57.07 55.51 2gc4 s TYR 77 Cb 0.13 -2.24 0.02 0.00 0.35 0.00 0.00 41.96 40.21 2gc4 s TYR 77 CO 0.27 0.44 -0.06 -1.58 -1.34 0.00 0.00 175.55 173.28 2gc4 s TRP 78 N -0.21 0.91 0.30 4.97 0.52 -1.26 -4.95 118.94 119.22 2gc4 s TRP 78 Ca 0.18 -0.29 -0.01 0.00 0.02 0.00 0.00 56.10 55.99 2gc4 s TRP 78 Cb -0.14 -0.78 0.46 0.00 -1.15 0.00 0.00 33.47 31.87 2gc4 s TRP 78 CO 0.06 -0.23 1.96 1.15 0.02 0.00 0.00 176.95 179.91 2gc4 h THR 79 N 6.12 1.19 -3.41 2.01 2.02 -1.98 -3.31 112.91 115.56 2gc4 h THR 79 Ca -0.35 -0.38 -0.71 0.00 0.77 0.00 0.00 66.41 65.75 2gc4 h THR 79 Cb 1.16 -0.00 -0.32 0.00 -1.74 0.00 0.00 68.15 67.25 2gc4 h THR 79 CO 0.45 0.20 -0.48 -0.31 0.37 0.00 0.00 175.52 175.75 2gc4 s TYR 80 N -5.92 3.49 0.24 3.16 2.02 -1.26 -5.01 117.35 114.08 2gc4 s TYR 80 Ca -0.11 -2.11 0.00 0.00 -0.37 0.00 0.00 57.07 54.48 2gc4 s TYR 80 Cb 0.18 -3.29 0.56 0.00 -0.40 0.00 0.00 41.96 39.02 2gc4 s TYR 80 CO 0.79 -0.97 1.24 -2.30 -1.57 0.00 0.00 175.55 172.75 2gc4 n PRO 81 N 4.75 -0.06 0.24 -1.71 -0.02 -1.25 -1.19 135.00 135.76 2gc4 n PRO 81 Ca -0.05 1.20 0.16 0.00 -2.02 0.00 0.00 63.50 62.79 2gc4 n PRO 81 Cb 0.41 -1.88 0.88 0.00 -0.02 0.00 0.00 33.50 32.89 2gc4 n PRO 81 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2gc4 h GLY 82 N 0.00 0.00 1.42 -1.23 0.00 -1.95 -2.42 103.07 98.89 2gc4 h GLY 82 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2gc4 h GLY 82 CO -0.76 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.48 2gc4 n ASN 83 N -2.63 0.00 0.20 0.19 3.02 -0.34 -0.72 115.26 114.98 2gc4 n ASN 83 Ca -0.02 0.03 0.14 0.00 -0.03 0.00 0.00 54.58 54.70 2gc4 n ASN 83 Cb 0.05 -0.21 0.50 0.00 -0.61 0.00 0.00 39.78 39.51 2gc4 n ASN 83 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2gc4 h GLU 84 N 0.00 0.00 -6.27 3.52 4.11 -1.67 -3.40 114.58 110.87 2gc4 h GLU 84 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 2gc4 h GLU 84 Cb 0.06 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.21 2gc4 h GLU 84 CO 0.00 0.00 -0.64 0.95 0.07 0.00 0.00 179.01 179.39 2gc4 s THR 85 N -3.40 3.63 0.17 -1.06 -4.23 0.10 -4.45 115.64 106.40 2gc4 s THR 85 Ca 0.05 -1.66 0.18 0.00 -1.18 0.00 0.00 61.69 59.08 2gc4 s THR 85 Cb 0.09 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 71.16 2gc4 s THR 85 CO 0.53 -0.25 1.71 0.44 -0.54 0.00 0.00 174.62 176.51 2gc4 h ASP 86 N 2.24 0.00 -0.52 3.99 3.32 -1.82 -1.65 116.42 121.97 2gc4 h ASP 86 Ca -0.46 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 2gc4 h ASP 86 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2gc4 h ASP 86 CO 0.59 0.40 -0.11 0.58 -1.72 0.00 0.00 179.24 178.98 2gc4 h VAL 87 N 0.00 1.27 -0.23 -1.35 2.07 -1.87 -0.70 116.25 115.43 2gc4 h VAL 87 Ca -0.00 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 2gc4 h VAL 87 Cb 0.94 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2gc4 h VAL 87 CO 0.05 0.44 -0.16 1.23 0.02 0.00 0.00 177.57 179.16 2gc4 h GLY 88 N 0.87 0.57 0.71 2.17 0.00 -1.60 -1.94 103.07 103.85 2gc4 h GLY 88 Ca 0.13 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 46.97 2gc4 h GLY 88 CO 0.05 0.49 0.23 -2.00 0.00 0.00 0.00 176.54 175.31 2gc4 h LEU 89 N 0.23 0.32 -0.52 3.11 6.46 -1.19 -1.14 115.31 122.58 2gc4 h LEU 89 Ca 0.05 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2gc4 h LEU 89 Cb 0.68 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 2gc4 h LEU 89 CO 0.04 0.23 0.30 0.15 -0.62 0.00 0.00 178.44 178.54 2gc4 h PHE 90 N 0.46 0.71 -0.99 1.25 3.57 -1.09 -2.45 116.94 118.39 2gc4 h PHE 90 Ca 0.21 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2gc4 h PHE 90 Cb 0.14 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 2gc4 h PHE 90 CO -0.11 0.51 0.65 0.77 -2.23 0.00 0.00 178.31 177.90 2gc4 h SER 91 N 0.70 1.09 -0.24 0.41 0.02 -0.70 0.93 113.55 115.76 2gc4 h SER 91 Ca 0.19 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2gc4 h SER 91 Cb 0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2gc4 h SER 91 CO -0.03 0.75 0.11 0.74 -1.14 0.00 0.00 176.83 177.26 2gc4 h THR 92 N 1.27 1.15 -0.30 -2.27 2.02 -0.87 0.21 112.91 114.12 2gc4 h THR 92 Ca 0.39 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 2gc4 h THR 92 Cb -0.02 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2gc4 h THR 92 CO -0.12 0.15 -0.15 -0.07 0.37 0.00 0.00 175.52 175.70 2gc4 h LEU 93 N 0.25 0.66 0.06 2.58 3.38 -0.99 0.38 115.31 121.63 2gc4 h LEU 93 Ca 0.08 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2gc4 h LEU 93 Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2gc4 h LEU 93 CO -0.01 0.92 -0.03 0.22 0.09 0.00 0.00 178.44 179.63 2gc4 h TYR 94 N 0.39 -0.08 0.00 1.13 3.20 -0.79 0.13 116.97 120.96 2gc4 h TYR 94 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2gc4 h TYR 94 Cb 0.68 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2gc4 h TYR 94 CO 0.06 0.29 -0.94 0.41 -1.64 0.00 0.00 178.16 176.34 2gc4 n GLY 95 N -0.09 -1.22 0.00 1.82 0.00 0.06 -3.39 105.19 102.36 2gc4 n GLY 95 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2gc4 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gc4 n GLY 96 N 1.38 -1.07 0.00 -0.02 0.00 0.13 -4.12 105.19 101.49 2gc4 n GLY 96 Ca 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2gc4 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gc4 n ALA 97 N -1.18 0.00 -2.66 4.61 0.00 0.23 -4.56 120.51 116.95 2gc4 n ALA 97 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2gc4 n ALA 97 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2gc4 n ALA 97 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2gc4 s THR 98 N 3.26 1.54 0.00 0.00 -4.23 -1.25 -4.87 115.64 110.08 2gc4 s THR 98 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2gc4 s THR 98 Cb 0.00 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2gc4 s THR 98 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2gc4 n GLY 99 N -1.06 3.21 0.00 3.99 0.00 -1.26 -2.04 105.19 108.03 2gc4 n GLY 99 Ca -0.10 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2gc4 n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gc4 n GLN 100 N 14.00 0.72 -3.02 1.61 6.02 -1.26 -4.38 117.38 131.07 2gc4 n GLN 100 Ca 0.00 0.01 -0.44 0.00 -0.01 0.00 0.00 57.00 56.56 2gc4 n GLN 100 Cb 0.00 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.76 2gc4 n GLN 100 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2gc4 s MET 101 N -2.17 4.05 0.70 -1.09 1.75 -0.87 -5.00 119.30 116.67 2gc4 s MET 101 Ca 0.36 -2.62 0.00 0.00 -1.25 0.00 0.00 55.69 52.19 2gc4 s MET 101 Cb 0.19 -4.94 0.12 0.00 2.84 0.00 0.00 34.83 33.03 2gc4 s MET 101 CO 0.34 -1.66 0.96 0.20 -0.65 0.00 0.00 175.02 174.21 2gc4 s GLY 102 N 2.62 1.76 0.49 2.11 0.00 -1.26 -0.60 107.32 112.44 2gc4 s GLY 102 Ca 0.39 -1.76 -0.23 0.00 0.00 0.00 0.00 44.72 43.12 2gc4 s GLY 102 CO -0.02 -1.21 1.36 2.56 0.00 0.00 0.00 173.10 175.78 2gc4 s PRO 103 N -5.07 3.46 0.00 2.90 0.04 -1.26 -4.30 135.00 130.76 2gc4 s PRO 103 Ca 0.65 2.24 0.17 0.00 0.04 0.00 0.00 61.00 64.11 2gc4 s PRO 103 Cb -0.06 -2.45 0.22 0.00 0.04 0.00 0.00 34.50 32.25 2gc4 s PRO 103 CO 0.43 -0.94 1.13 -1.33 0.04 0.00 0.00 177.00 176.34 2gc4 n MET 104 N -0.59 1.74 0.18 4.56 2.81 0.46 -4.56 117.12 121.72 2gc4 n MET 104 Ca 0.08 -1.73 0.13 0.00 -1.81 0.00 0.00 57.70 54.37 2gc4 n MET 104 Cb 0.44 -1.36 0.63 0.00 -0.71 0.00 0.00 33.22 32.23 2gc4 n MET 104 CO 0.00 0.00 0.00 0.11 1.51 0.00 0.00 175.97 177.59 2gc4 h TRP 105 N 3.39 0.00 0.00 2.03 5.08 -1.77 -1.01 115.95 123.67 2gc4 h TRP 105 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2gc4 h TRP 105 Cb 0.76 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.92 2gc4 h TRP 105 CO 0.08 0.00 -0.28 0.41 -1.28 0.00 0.00 178.44 177.37 2gc4 n GLY 106 N -0.66 -1.38 0.00 11.11 0.00 -1.26 -4.31 105.19 108.69 2gc4 n GLY 106 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2gc4 n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gc4 n SER 107 N -1.57 3.90 -4.31 1.61 7.64 -0.69 -5.06 113.62 115.15 2gc4 n SER 107 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 2gc4 n SER 107 Cb 0.35 0.64 -0.16 0.00 -1.01 0.00 0.00 64.21 64.03 2gc4 n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2gc4 s LEU 108 N -2.70 2.05 0.65 -3.43 1.43 -0.47 -5.12 118.68 111.08 2gc4 s LEU 108 Ca 0.00 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2gc4 s LEU 108 Cb 0.00 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2gc4 s LEU 108 CO 0.00 0.32 1.05 0.42 0.23 0.00 0.00 176.35 178.37 2gc4 s THR 109 N -0.61 4.10 0.27 5.49 -4.23 -1.26 -4.60 115.64 114.80 2gc4 s THR 109 Ca 0.10 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 2gc4 s THR 109 Cb -0.10 -3.48 0.26 0.00 1.34 0.00 0.00 72.50 70.52 2gc4 s THR 109 CO -0.01 -0.79 1.78 -0.07 -0.54 0.00 0.00 174.62 174.99 2gc4 h LEU 110 N -0.24 0.65 -0.63 4.79 4.07 -1.77 -0.86 115.31 121.32 2gc4 h LEU 110 Ca -0.45 0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.51 2gc4 h LEU 110 Cb 1.21 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.89 2gc4 h LEU 110 CO 0.58 0.28 0.06 -0.78 -1.08 0.00 0.00 178.44 177.50 2gc4 h ASP 111 N 0.72 1.03 -0.05 -0.43 3.58 -1.58 -2.64 116.42 117.05 2gc4 h ASP 111 Ca 0.49 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 2gc4 h ASP 111 Cb 0.66 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2gc4 h ASP 111 CO -0.34 1.06 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.62 2gc4 h GLU 112 N 0.97 0.35 -0.54 0.28 5.08 -1.49 -1.40 114.58 117.83 2gc4 h GLU 112 Ca 0.18 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2gc4 h GLU 112 Cb 0.49 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2gc4 h GLU 112 CO 0.02 0.47 0.17 0.52 -1.00 0.00 0.00 179.01 179.19 2gc4 h MET 113 N 0.33 0.84 -0.39 2.33 2.86 -0.92 -0.02 114.93 119.96 2gc4 h MET 113 Ca 0.07 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 2gc4 h MET 113 Cb 0.41 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2gc4 h MET 113 CO 0.02 0.77 -0.10 -0.07 1.06 0.00 0.00 176.91 178.59 2gc4 h LEU 114 N 0.75 0.66 -0.41 1.22 3.38 -1.10 -0.39 115.31 119.43 2gc4 h LEU 114 Ca 0.17 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2gc4 h LEU 114 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2gc4 h LEU 114 CO -0.00 0.80 -0.24 0.03 0.09 0.00 0.00 178.44 179.11 2gc4 h ARG 115 N 0.62 0.89 -0.65 1.13 3.08 -0.93 -2.18 114.38 116.33 2gc4 h ARG 115 Ca 0.11 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 2gc4 h ARG 115 Cb 0.54 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2gc4 h ARG 115 CO 0.03 1.06 0.24 1.15 -1.07 0.00 0.00 179.97 181.38 2gc4 h THR 116 N 0.70 1.24 -0.90 2.04 2.02 -0.74 -2.37 112.91 114.90 2gc4 h THR 116 Ca 0.08 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.49 2gc4 h THR 116 Cb 0.82 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2gc4 h THR 116 CO 0.07 0.31 0.60 0.24 0.37 0.00 0.00 175.52 177.10 2gc4 h MET 117 N 0.93 1.17 -0.79 6.66 2.86 -0.96 -1.91 114.93 122.89 2gc4 h MET 117 Ca 0.21 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2gc4 h MET 117 Cb 0.24 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 2gc4 h MET 117 CO -0.01 0.77 0.47 0.00 1.06 0.00 0.00 176.91 179.20 2gc4 h ALA 118 N 1.45 1.34 -0.51 6.32 0.00 -0.88 -1.28 119.26 125.70 2gc4 h ALA 118 Ca 0.34 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2gc4 h ALA 118 Cb -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2gc4 h ALA 118 CO -0.08 0.56 -0.13 2.35 0.00 0.00 0.00 179.25 181.96 2gc4 h TRP 119 N 1.08 1.11 -0.68 0.00 2.91 -1.08 -0.53 115.95 118.76 2gc4 h TRP 119 Ca 0.28 -0.24 0.00 0.00 1.13 0.00 0.00 58.89 60.07 2gc4 h TRP 119 Cb -0.03 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 28.31 2gc4 h TRP 119 CO 0.00 1.05 0.44 0.28 -1.03 0.00 0.00 178.44 179.18 2gc4 h VAL 120 N 0.85 1.18 -0.35 2.65 2.07 -0.95 -0.65 116.25 121.05 2gc4 h VAL 120 Ca 0.13 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 2gc4 h VAL 120 Cb 0.69 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2gc4 h VAL 120 CO 0.05 0.18 -0.11 0.03 0.02 0.00 0.00 177.57 177.74 2gc4 h ARG 121 N 0.92 0.60 -0.16 1.57 2.47 -1.04 -2.48 114.38 116.27 2gc4 h ARG 121 Ca 0.25 -0.18 -0.06 0.00 -1.26 0.00 0.00 59.98 58.72 2gc4 h ARG 121 Cb -0.08 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2gc4 h ARG 121 CO -0.05 0.70 -0.18 1.25 0.56 0.00 0.00 179.97 182.25 2gc4 h HIS 122 N 0.55 0.29 0.00 3.04 2.76 -0.10 -2.38 115.15 119.31 2gc4 h HIS 122 Ca 0.10 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2gc4 h HIS 122 Cb 0.52 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2gc4 h HIS 122 CO 0.02 0.45 0.00 1.28 -1.30 0.00 0.00 177.93 178.38 2gc4 n LEU 123 N -4.22 0.00 -4.64 0.26 4.77 -0.35 -4.38 117.00 108.45 2gc4 n LEU 123 Ca -0.01 0.22 -0.46 0.00 -0.03 0.00 0.00 56.01 55.74 2gc4 n LEU 123 Cb 0.32 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2gc4 n LEU 123 CO 0.39 -0.04 0.88 0.00 -1.33 0.00 0.00 177.39 177.28 2gc4 n TYR 124 N -1.22 1.85 0.17 -1.77 9.36 -0.90 -4.51 117.16 120.14 2gc4 n TYR 124 Ca 0.13 0.54 0.02 0.00 3.32 0.00 0.00 57.90 61.91 2gc4 n TYR 124 Cb 0.17 -2.39 0.02 0.00 -0.63 0.00 0.00 39.34 36.52 2gc4 n TYR 124 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2gc4 n THR 125 N 1.47 0.07 -0.70 2.97 -2.24 -0.19 -0.95 114.28 114.70 2gc4 n THR 125 Ca 0.12 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2gc4 n THR 125 Cb 0.30 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2gc4 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gc4 n GLY 126 N 0.23 -0.53 3.67 3.38 0.00 -1.26 -4.77 105.19 105.91 2gc4 n GLY 126 Ca 0.03 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 2gc4 n GLY 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gc4 s ASP 127 N -1.00 6.94 0.52 1.61 3.68 -1.26 -4.67 116.67 122.50 2gc4 s ASP 127 Ca 0.00 1.84 0.32 0.00 2.13 0.00 0.00 52.55 56.84 2gc4 s ASP 127 Cb 0.00 -2.55 1.47 0.00 -1.45 0.00 0.00 42.92 40.39 2gc4 s ASP 127 CO 0.00 -0.71 1.84 -0.65 0.13 0.00 0.00 175.17 175.78 2gc4 h PRO 128 N 8.01 0.05 0.00 4.34 0.11 -1.94 0.34 132.00 142.90 2gc4 h PRO 128 Ca -0.32 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 2gc4 h PRO 128 Cb 1.14 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2gc4 h PRO 128 CO 0.93 0.03 -0.27 0.87 -0.21 0.00 0.00 178.00 179.35 2gc4 h LYS 129 N 0.05 0.00 0.00 1.05 1.79 -1.98 -2.31 116.57 115.17 2gc4 h LYS 129 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 2gc4 h LYS 129 Cb 1.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.56 2gc4 h LYS 129 CO -0.04 0.27 -0.35 -0.25 -1.08 0.00 0.00 179.45 178.00 2gc4 n ASP 130 N -3.74 0.36 -3.92 0.86 8.00 0.12 -4.54 116.55 113.69 2gc4 n ASP 130 Ca -0.01 -0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.06 2gc4 n ASP 130 Cb 0.37 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 2gc4 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gc4 n ALA 131 N -1.51 4.12 0.24 2.24 0.00 -0.87 -4.73 120.51 120.01 2gc4 n ALA 131 Ca 0.06 -3.60 0.10 0.00 0.00 0.00 0.00 53.44 50.00 2gc4 n ALA 131 Cb 0.34 -3.58 0.49 0.00 0.00 0.00 0.00 19.45 16.70 2gc4 n ALA 131 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gc4 n SER 132 N 7.78 0.51 -0.04 0.00 3.41 -1.26 -1.87 113.62 122.15 2gc4 n SER 132 Ca 0.50 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.95 2gc4 n SER 132 Cb 0.41 -0.78 0.76 0.00 -0.26 0.00 0.00 64.21 64.35 2gc4 n SER 132 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2gc4 n TRP 133 N -2.14 0.00 -4.07 7.33 2.14 -1.26 -4.84 117.44 114.61 2gc4 n TRP 133 Ca 0.00 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.25 2gc4 n TRP 133 Cb 0.10 -0.18 -0.07 0.00 -0.81 0.00 0.00 31.31 30.36 2gc4 n TRP 133 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2gc4 s LEU 134 N -2.38 3.91 0.68 5.67 1.02 -0.78 -4.96 118.68 121.83 2gc4 s LEU 134 Ca 0.34 0.10 -0.08 0.00 0.02 0.00 0.00 54.13 54.51 2gc4 s LEU 134 Cb 0.21 -2.41 0.03 0.00 0.02 0.00 0.00 46.19 44.04 2gc4 s LEU 134 CO 0.44 0.23 1.01 0.42 0.02 0.00 0.00 176.35 178.47 2gc4 s THR 135 N -1.29 3.00 0.18 5.49 -4.23 -1.26 -4.81 115.64 112.71 2gc4 s THR 135 Ca 0.26 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 2gc4 s THR 135 Cb -0.12 -3.27 0.08 0.00 1.34 0.00 0.00 72.50 70.53 2gc4 s THR 135 CO 0.18 -0.31 1.75 0.44 -0.54 0.00 0.00 174.62 176.14 2gc4 h ASP 136 N -0.52 0.16 -0.90 3.99 5.19 -1.99 0.13 116.42 122.49 2gc4 h ASP 136 Ca -0.45 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.00 2gc4 h ASP 136 Cb 1.28 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.79 2gc4 h ASP 136 CO 0.62 0.12 0.49 -0.33 -3.12 0.00 0.00 179.24 177.02 2gc4 h GLU 137 N 0.33 1.25 -0.46 3.56 3.07 -2.00 -1.59 114.58 118.75 2gc4 h GLU 137 Ca 0.22 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 2gc4 h GLU 137 Cb 0.23 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2gc4 h GLU 137 CO -0.23 0.92 0.22 1.96 -1.40 0.00 0.00 179.01 180.48 2gc4 h GLN 138 N 1.26 0.67 -0.59 2.33 4.20 -1.67 -2.74 115.11 118.56 2gc4 h GLN 138 Ca 0.31 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.96 2gc4 h GLN 138 Cb 0.04 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2gc4 h GLN 138 CO -0.05 0.57 0.34 0.87 -0.67 0.00 0.00 178.83 179.89 2gc4 h LYS 139 N 0.60 0.64 -0.62 1.46 1.57 -0.28 -1.77 116.57 118.18 2gc4 h LYS 139 Ca 0.16 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.06 2gc4 h LYS 139 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2gc4 h LYS 139 CO -0.02 0.42 0.43 0.00 -0.57 0.00 0.00 179.45 179.72 2gc4 h ALA 140 N 1.28 2.42 -0.02 3.86 0.00 -1.00 -1.47 119.26 124.33 2gc4 h ALA 140 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2gc4 h ALA 140 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2gc4 h ALA 140 CO -0.13 -0.59 -0.12 0.41 0.00 0.00 0.00 179.25 178.82 2gc4 n GLY 141 N -1.61 0.31 3.79 0.00 0.00 -0.90 -4.99 105.19 101.79 2gc4 n GLY 141 Ca 0.12 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 2gc4 n GLY 141 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gc4 s PHE 142 N -1.72 3.84 -0.04 1.61 5.36 -0.56 -5.07 117.98 121.40 2gc4 s PHE 142 Ca 0.20 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.71 2gc4 s PHE 142 Cb 0.15 -2.70 0.02 0.00 -0.34 0.00 0.00 43.02 40.16 2gc4 s PHE 142 CO 0.30 0.48 -0.02 0.95 -1.46 0.00 0.00 175.22 175.48 2gc4 s THR 143 N -1.23 0.37 0.20 0.12 -4.23 -1.26 -4.99 115.64 104.63 2gc4 s THR 143 Ca 0.36 -0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 2gc4 s THR 143 Cb -0.21 -0.44 -0.16 0.00 1.34 0.00 0.00 72.50 73.03 2gc4 s THR 143 CO 0.24 0.19 0.80 -2.65 -0.54 0.00 0.00 174.62 172.66 2gc4 n PRO 144 N 4.14 0.55 -2.01 3.99 -0.02 -1.26 -4.84 135.00 135.55 2gc4 n PRO 144 Ca -0.25 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.03 2gc4 n PRO 144 Cb 0.51 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 2gc4 n PRO 144 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2gc4 s PHE 145 N -0.81 2.82 -0.13 6.00 5.36 -0.13 -4.97 117.98 126.13 2gc4 s PHE 145 Ca 0.66 1.36 -0.05 0.00 -0.96 0.00 0.00 56.93 57.95 2gc4 s PHE 145 Cb -0.88 -3.75 0.06 0.00 -0.34 0.00 0.00 43.02 38.11 2gc4 s PHE 145 CO 0.57 -2.23 0.26 -1.14 -1.46 0.00 0.00 175.22 171.21 2gc4 s GLN 146 N -2.11 0.14 0.00 10.12 2.00 -1.26 -4.76 119.66 123.79 2gc4 s GLN 146 Ca 0.54 0.74 0.00 0.00 -2.00 0.00 0.00 55.36 54.64 2gc4 s GLN 146 Cb -0.40 -0.05 0.00 0.00 0.80 0.00 0.00 33.01 33.35 2gc4 s GLN 146 CO 0.53 -0.29 0.29 -2.30 -0.50 0.00 0.00 175.29 173.02