#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 2.48 -0.25 0.00 0.02 -1.26 -5.02 135.00 130.96 2gc4 s PRO 2 Ca 0.00 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 62.36 2gc4 s PRO 2 Cb 0.00 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 2gc4 s PRO 2 CO 0.00 -1.51 0.08 -0.65 -0.33 0.00 0.00 177.00 174.59 2gc4 s GLN 3 N -4.25 3.64 -0.50 5.54 1.11 -1.26 -5.06 119.66 118.87 2gc4 s GLN 3 Ca 0.67 -0.49 -0.13 0.00 0.01 0.00 0.00 55.36 55.42 2gc4 s GLN 3 Cb -0.21 -3.35 0.12 0.00 -1.01 0.00 0.00 33.01 28.56 2gc4 s GLN 3 CO 0.46 -0.20 0.42 -0.06 0.01 0.00 0.00 175.29 175.92 2gc4 s PHE 4 N 1.62 3.33 0.14 0.91 0.08 -1.26 -4.99 117.98 117.81 2gc4 s PHE 4 Ca 0.06 -1.54 0.10 0.00 0.12 0.00 0.00 56.93 55.67 2gc4 s PHE 4 Cb -0.15 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 2gc4 s PHE 4 CO 0.04 -1.00 -0.20 -0.06 -0.10 0.00 0.00 175.22 173.91 2gc4 s PHE 5 N 1.49 2.46 0.06 0.36 0.08 -1.26 -1.20 117.98 119.98 2gc4 s PHE 5 Ca 0.04 -0.30 -0.31 0.00 0.12 0.00 0.00 56.93 56.49 2gc4 s PHE 5 Cb -0.28 -1.28 -0.08 0.00 -0.57 0.00 0.00 43.02 40.81 2gc4 s PHE 5 CO 0.01 0.41 1.63 1.21 -0.10 0.00 0.00 175.22 178.39 2gc4 s ASN 6 N -2.32 6.62 0.00 1.36 3.84 0.57 -4.85 114.94 120.17 2gc4 s ASN 6 Ca 0.19 2.45 0.08 0.00 0.21 0.00 0.00 52.86 55.79 2gc4 s ASN 6 Cb -0.10 -2.56 0.36 0.00 -0.55 0.00 0.00 41.25 38.40 2gc4 s ASN 6 CO 0.10 -0.87 1.20 2.30 -2.79 0.00 0.00 177.10 177.04 2gc4 n ILE 7 N 4.72 1.23 -0.12 -5.21 -5.35 -1.26 -1.08 119.36 112.29 2gc4 n ILE 7 Ca 0.16 0.31 -0.25 0.00 -0.27 0.00 0.00 62.75 62.70 2gc4 n ILE 7 Cb 0.41 -1.17 -0.08 0.00 -1.74 0.00 0.00 39.64 37.05 2gc4 n ILE 7 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gc4 n ILE 8 N -1.42 1.28 0.33 7.28 2.08 -1.26 -4.74 119.36 122.91 2gc4 n ILE 8 Ca 0.03 -0.34 0.06 0.00 0.56 0.00 0.00 62.75 63.06 2gc4 n ILE 8 Cb 0.08 -1.79 0.08 0.00 -0.75 0.00 0.00 39.64 37.27 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 -3.99 2.28 0.00 4.38 3.85 -1.23 -4.99 116.55 116.84 2gc4 n ASP 9 Ca -0.46 -1.64 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 2gc4 n ASP 9 Cb 0.83 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.54 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 0.67 0.32 3.80 6.12 0.00 -0.24 -4.97 105.19 110.89 2gc4 n GLY 10 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.20 5.95 0.33 1.61 1.04 -1.26 -4.53 113.70 114.65 2gc4 s SER 11 Ca 0.00 1.86 -0.29 0.00 0.48 0.00 0.00 55.95 58.00 2gc4 s SER 11 Cb 0.00 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.47 2gc4 s SER 11 CO 0.00 -1.05 1.41 -2.84 0.98 0.00 0.00 173.24 171.74 2gc4 s PRO 12 N -3.82 4.23 0.37 4.02 0.02 -1.26 -0.32 135.00 138.25 2gc4 s PRO 12 Ca 0.65 2.39 -0.26 0.00 0.02 0.00 0.00 61.00 63.80 2gc4 s PRO 12 Cb -0.16 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 31.24 2gc4 s PRO 12 CO 0.32 -0.38 1.10 -0.51 -0.33 0.00 0.00 177.00 177.19 2gc4 s LEU 13 N -1.63 4.26 -0.44 -5.54 1.43 -0.34 -4.78 118.68 111.65 2gc4 s LEU 13 Ca 0.53 2.19 -0.09 0.00 -1.03 0.00 0.00 54.13 55.73 2gc4 s LEU 13 Cb -0.43 -4.00 0.10 0.00 0.03 0.00 0.00 46.19 41.89 2gc4 s LEU 13 CO 0.55 -0.46 0.29 0.21 0.23 0.00 0.00 176.35 177.17 2gc4 s ASN 14 N -1.26 5.64 0.00 2.29 2.47 -1.26 -4.93 114.94 117.89 2gc4 s ASN 14 Ca 0.54 -1.68 0.20 0.00 0.42 0.00 0.00 52.86 52.34 2gc4 s ASN 14 Cb -0.27 -1.99 1.15 0.00 -1.45 0.00 0.00 41.25 38.69 2gc4 s ASN 14 CO 0.34 -0.60 1.60 0.49 -3.72 0.00 0.00 177.10 175.21 2gc4 n PHE 15 N 4.90 0.00 0.30 0.43 3.01 -1.26 -2.79 117.46 122.06 2gc4 n PHE 15 Ca -0.09 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.53 2gc4 n PHE 15 Cb 0.42 -0.07 0.61 0.00 -0.01 0.00 0.00 39.48 40.43 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 0.86 4.37 3.45 -2.02 -2.32 116.42 120.76 2gc4 h ASP 16 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2gc4 h ASP 16 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2gc4 h ASP 16 CO 0.00 0.00 -0.32 0.47 -1.57 0.00 0.00 179.24 177.82 2gc4 n ASP 17 N -2.92 0.45 -4.75 6.45 8.00 -1.12 -4.90 116.55 117.77 2gc4 n ASP 17 Ca 0.01 0.16 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 2gc4 n ASP 17 Cb 0.31 -0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 2gc4 n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gc4 s ALA 18 N -3.05 2.58 0.42 2.24 0.00 -0.88 -4.84 121.76 118.22 2gc4 s ALA 18 Ca 0.11 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 2gc4 s ALA 18 Cb 0.16 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 2gc4 s ALA 18 CO 0.64 -1.22 1.25 -1.64 0.00 0.00 0.00 175.76 174.79 2gc4 s MET 19 N -3.24 3.94 0.51 0.00 -1.94 -1.26 -4.91 119.30 112.39 2gc4 s MET 19 Ca 0.77 2.02 0.27 0.00 -1.71 0.00 0.00 55.69 57.03 2gc4 s MET 19 Cb -0.33 -2.67 1.36 0.00 2.01 0.00 0.00 34.83 35.20 2gc4 s MET 19 CO 0.36 -0.47 2.03 0.93 -0.01 0.00 0.00 175.02 177.85 2gc4 h GLU 20 N 2.55 0.00 -6.27 2.03 5.08 -1.96 -3.41 114.58 112.59 2gc4 h GLU 20 Ca -0.49 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.32 2gc4 h GLU 20 Cb 1.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 2gc4 h GLU 20 CO 0.62 0.14 0.19 -1.83 -1.00 0.00 0.00 179.01 177.13 2gc4 s GLU 21 N -4.09 4.51 0.00 2.33 1.03 -1.26 -4.03 118.70 117.18 2gc4 s GLU 21 Ca -0.02 1.10 0.00 0.00 0.03 0.00 0.00 54.97 56.08 2gc4 s GLU 21 Cb 0.13 -3.40 0.00 0.00 -0.80 0.00 0.00 34.13 30.06 2gc4 s GLU 21 CO 0.59 0.17 0.00 0.41 -1.33 0.00 0.00 175.26 175.11 2gc4 n GLY 22 N 2.63 0.42 0.43 -3.83 0.00 -1.26 -4.43 105.19 99.15 2gc4 n GLY 22 Ca -0.01 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.10 2gc4 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gc4 n ARG 23 N -2.27 1.23 -0.02 1.61 1.74 -1.26 -1.56 116.66 116.13 2gc4 n ARG 23 Ca 0.00 -1.05 0.07 0.00 -0.77 0.00 0.00 57.85 56.10 2gc4 n ARG 23 Cb 0.17 -1.21 -0.16 0.00 -1.02 0.00 0.00 32.46 30.24 2gc4 n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2gc4 n ASP 24 N 0.38 0.07 -4.40 0.55 5.68 -1.26 -4.65 116.55 112.92 2gc4 n ASP 24 Ca 0.07 0.03 -0.37 0.00 -0.50 0.00 0.00 54.79 54.02 2gc4 n ASP 24 Cb 0.30 1.70 0.06 0.00 -1.14 0.00 0.00 41.12 42.04 2gc4 n ASP 24 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2gc4 n THR 25 N -2.38 1.43 -0.06 2.12 -2.24 -1.26 -4.70 114.28 107.18 2gc4 n THR 25 Ca -0.09 -0.42 0.01 0.00 -2.27 0.00 0.00 64.05 61.28 2gc4 n THR 25 Cb 0.67 -0.58 0.33 0.00 -2.10 0.00 0.00 70.33 68.65 2gc4 n THR 25 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2gc4 h GLU 26 N -0.33 0.67 0.03 -0.78 4.57 -1.99 -1.78 114.58 114.96 2gc4 h GLU 26 Ca -0.45 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2gc4 h GLU 26 Cb 1.36 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2gc4 h GLU 26 CO 0.41 0.51 -0.01 0.00 -1.18 0.00 0.00 179.01 178.74 2gc4 h ALA 27 N 1.60 -0.04 -0.19 2.92 0.00 -1.99 0.65 119.26 122.21 2gc4 h ALA 27 Ca 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2gc4 h ALA 27 Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2gc4 h ALA 27 CO -0.03 -0.49 0.11 0.28 0.00 0.00 0.00 179.25 179.12 2gc4 h VAL 28 N -0.09 1.11 -0.36 0.00 2.07 -1.81 0.06 116.25 117.23 2gc4 h VAL 28 Ca -0.00 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2gc4 h VAL 28 Cb 0.08 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2gc4 h VAL 28 CO 0.01 0.10 0.20 0.11 0.02 0.00 0.00 177.57 178.00 2gc4 h LYS 29 N 0.21 0.39 -0.48 1.57 1.57 -1.23 0.88 116.57 119.48 2gc4 h LYS 29 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2gc4 h LYS 29 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2gc4 h LYS 29 CO -0.01 0.26 0.30 1.25 -0.57 0.00 0.00 179.45 180.68 2gc4 h HIS 30 N 0.40 0.62 0.17 -1.35 2.76 -0.69 -2.32 115.15 114.73 2gc4 h HIS 30 Ca 0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2gc4 h HIS 30 Cb 0.03 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.79 2gc4 h HIS 30 CO -0.09 0.41 -0.08 0.35 -1.30 0.00 0.00 177.93 177.23 2gc4 h PHE 31 N 0.64 -0.21 0.00 5.26 3.57 -0.47 0.14 116.94 125.88 2gc4 h PHE 31 Ca 0.17 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2gc4 h PHE 31 Cb -0.04 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2gc4 h PHE 31 CO -0.04 -0.11 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.86 2gc4 h LEU 32 N -0.25 0.00 0.11 0.59 3.38 -0.74 1.12 115.31 119.52 2gc4 h LEU 32 Ca -0.02 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.59 2gc4 h LEU 32 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2gc4 h LEU 32 CO 0.04 0.01 -2.00 1.21 0.09 0.00 0.00 178.44 177.79 2gc4 n GLU 33 N -3.22 0.74 -0.01 1.13 2.13 -0.88 -4.51 120.64 116.02 2gc4 n GLU 33 Ca -0.02 0.27 0.03 0.00 0.66 0.00 0.00 57.16 58.10 2gc4 n GLU 33 Cb 0.12 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.07 2gc4 n GLU 33 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2gc4 n THR 34 N -3.53 0.03 -0.84 6.31 -2.24 0.44 -4.32 114.28 110.14 2gc4 n THR 34 Ca -0.33 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2gc4 n THR 34 Cb 1.02 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 2.09 0.56 3.64 3.38 0.00 0.39 -4.76 105.19 110.49 2gc4 n GLY 35 Ca -0.02 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2gc4 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gc4 s GLU 36 N -0.47 3.72 -0.49 1.61 2.12 -1.26 -4.25 118.70 119.68 2gc4 s GLU 36 Ca 0.00 -0.37 -0.15 0.00 0.36 0.00 0.00 54.97 54.81 2gc4 s GLU 36 Cb 0.00 -3.09 0.09 0.00 0.26 0.00 0.00 34.13 31.39 2gc4 s GLU 36 CO 0.00 0.38 0.42 1.21 -0.54 0.00 0.00 175.26 176.73 2gc4 s ASN 37 N 0.04 6.14 0.00 -1.70 2.47 -1.26 -3.49 114.94 117.14 2gc4 s ASN 37 Ca 0.05 -1.46 0.13 0.00 0.42 0.00 0.00 52.86 51.99 2gc4 s ASN 37 Cb -0.12 -2.18 0.57 0.00 -1.45 0.00 0.00 41.25 38.06 2gc4 s ASN 37 CO 0.01 -0.70 1.38 1.33 -3.72 0.00 0.00 177.10 175.40 2gc4 n VAL 38 N 5.21 1.01 0.88 -5.21 0.24 -1.26 -2.67 118.33 116.52 2gc4 n VAL 38 Ca -0.13 0.25 0.14 0.00 -2.04 0.00 0.00 64.34 62.56 2gc4 n VAL 38 Cb 0.43 -1.04 0.54 0.00 -1.47 0.00 0.00 33.84 32.30 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 -1.44 0.30 -1.68 6.34 4.01 -1.26 -4.73 117.16 118.70 2gc4 n TYR 39 Ca 0.04 0.09 -0.45 0.00 -0.16 0.00 0.00 57.90 57.42 2gc4 n TYR 39 Cb 0.13 -0.64 -0.04 0.00 -0.31 0.00 0.00 39.34 38.49 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 -1.75 3.53 -2.23 7.72 3.02 -1.09 -1.74 115.26 122.72 2gc4 n ASN 40 Ca 0.06 1.04 -0.16 0.00 -0.03 0.00 0.00 54.58 55.49 2gc4 n ASN 40 Cb 0.37 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.05 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 4.64 -1.85 -2.95 3.52 -0.58 -1.26 -4.93 120.64 117.23 2gc4 n GLU 41 Ca 0.18 0.83 -0.43 0.00 -0.42 0.00 0.00 57.16 57.32 2gc4 n GLU 41 Cb 0.32 -5.39 -0.04 0.00 -0.57 0.00 0.00 31.44 25.75 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 -2.11 6.21 0.51 1.62 3.68 -0.71 -4.92 116.67 120.95 2gc4 s ASP 42 Ca 0.00 -0.95 0.34 0.00 2.13 0.00 0.00 52.55 54.07 2gc4 s ASP 42 Cb 0.00 -2.38 1.48 0.00 -1.45 0.00 0.00 42.92 40.58 2gc4 s ASP 42 CO 0.00 -1.25 1.77 -0.65 0.13 0.00 0.00 175.17 175.17 2gc4 h PRO 43 N 9.35 0.07 0.00 4.34 0.11 -1.91 -1.40 132.00 142.56 2gc4 h PRO 43 Ca -0.28 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 2gc4 h PRO 43 Cb 1.08 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2gc4 h PRO 43 CO 1.11 0.05 -0.54 0.93 -0.21 0.00 0.00 178.00 179.34 2gc4 h GLU 44 N 0.07 0.00 0.00 1.05 5.08 -1.97 -3.32 114.58 115.50 2gc4 h GLU 44 Ca 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 2gc4 h GLU 44 Cb 2.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.53 2gc4 h GLU 44 CO -0.08 0.54 -0.92 0.44 -1.00 0.00 0.00 179.01 177.99 2gc4 n ILE 45 N -3.74 0.00 -0.25 3.13 -0.00 -0.57 -4.64 119.36 113.29 2gc4 n ILE 45 Ca -0.01 -0.22 0.03 0.00 -0.00 0.00 0.00 62.75 62.55 2gc4 n ILE 45 Cb 0.58 0.76 0.16 0.00 -0.00 0.00 0.00 39.64 41.14 2gc4 n ILE 45 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2gc4 h LEU 46 N 0.00 0.42 -0.58 7.28 3.38 -1.54 -0.56 115.31 123.71 2gc4 h LEU 46 Ca 0.00 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2gc4 h LEU 46 Cb 0.40 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2gc4 h LEU 46 CO 0.00 0.22 0.19 -0.65 0.09 0.00 0.00 178.44 178.29 2gc4 h PRO 47 N 0.56 0.34 -0.12 1.13 0.11 -1.82 -0.16 132.00 132.05 2gc4 h PRO 47 Ca 0.38 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.30 2gc4 h PRO 47 Cb 0.47 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2gc4 h PRO 47 CO -0.31 0.23 -0.64 1.49 -0.21 0.00 0.00 178.00 178.56 2gc4 h GLU 48 N 0.36 0.43 -0.94 1.05 4.81 -1.73 -3.08 114.58 115.48 2gc4 h GLU 48 Ca 0.30 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2gc4 h GLU 48 Cb 0.38 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2gc4 h GLU 48 CO -0.32 0.93 0.62 0.00 -0.73 0.00 0.00 179.01 179.51 2gc4 h ALA 49 N 0.99 1.33 -0.70 2.92 0.00 -0.10 -1.12 119.26 122.58 2gc4 h ALA 49 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2gc4 h ALA 49 Cb 1.19 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2gc4 h ALA 49 CO 0.11 0.62 0.31 1.49 0.00 0.00 0.00 179.25 181.79 2gc4 h GLU 50 N 1.27 1.02 -0.61 0.00 4.81 -1.00 -1.61 114.58 118.47 2gc4 h GLU 50 Ca 0.34 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2gc4 h GLU 50 Cb -0.14 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 2gc4 h GLU 50 CO -0.07 0.82 0.03 0.93 -0.73 0.00 0.00 179.01 179.99 2gc4 h GLU 51 N 0.98 1.04 -0.26 1.92 5.08 -1.31 0.33 114.58 122.36 2gc4 h GLU 51 Ca 0.24 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2gc4 h GLU 51 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2gc4 h GLU 51 CO -0.03 1.00 0.14 -0.07 -1.00 0.00 0.00 179.01 179.06 2gc4 h LEU 52 N 0.96 0.33 -0.32 1.33 4.07 -0.93 -1.73 115.31 119.02 2gc4 h LEU 52 Ca 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2gc4 h LEU 52 Cb 0.51 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2gc4 h LEU 52 CO 0.02 0.32 0.14 0.22 -1.08 0.00 0.00 178.44 178.06 2gc4 h TYR 53 N 0.31 0.48 -0.53 1.13 3.20 -1.07 -1.63 116.97 118.86 2gc4 h TYR 53 Ca 0.09 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.00 2gc4 h TYR 53 Cb 0.07 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 2gc4 h TYR 53 CO -0.03 0.44 0.22 0.00 -1.64 0.00 0.00 178.16 177.15 2gc4 h ALA 54 N 0.99 0.67 0.03 1.82 0.00 -0.74 0.34 119.26 122.36 2gc4 h ALA 54 Ca 0.11 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2gc4 h ALA 54 Cb 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2gc4 h ALA 54 CO -0.01 -0.16 -0.99 0.78 0.00 0.00 0.00 179.25 178.87 2gc4 h GLY 55 N 0.43 0.13 0.00 0.00 0.00 -1.22 -3.32 103.07 99.10 2gc4 h GLY 55 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 2gc4 h GLY 55 CO -0.22 0.25 -1.98 1.03 0.00 0.00 0.00 176.54 175.62 2gc4 n MET 56 N -3.51 0.68 0.00 4.80 2.81 -0.62 -4.82 117.12 116.45 2gc4 n MET 56 Ca -0.03 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 2gc4 n MET 56 Cb 0.90 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 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 0.41 -0.70 0.00 4.64 -1.42 -1.48 113.55 115.01 2gc4 h SER 58 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2gc4 h SER 58 Cb 0.48 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 2gc4 h SER 58 CO 0.00 0.27 0.46 1.23 -0.87 0.00 0.00 176.83 177.92 2gc4 h GLY 59 N 0.47 0.81 0.00 -0.77 0.00 -1.86 -0.93 103.07 100.79 2gc4 h GLY 59 Ca 0.23 -0.23 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2gc4 h GLY 59 CO -0.06 0.14 -2.28 0.00 0.00 0.00 0.00 176.54 174.34 2gc4 n HIS 61 N -3.04 0.01 0.00 0.00 -0.00 -0.60 -0.41 115.22 111.17 2gc4 n HIS 61 Ca -0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.34 2gc4 n HIS 61 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.95 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 1.30 0.99 0.37 -1.41 0.00 -0.35 -0.51 105.19 105.58 2gc4 n GLY 62 Ca 0.15 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.52 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 1.06 -0.17 1.61 2.76 -1.92 -2.55 115.15 115.94 2gc4 h HIS 63 Ca 0.00 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 2gc4 h HIS 63 Cb 0.00 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.58 2gc4 h HIS 63 CO 0.00 0.48 -0.18 0.66 -1.30 0.00 0.00 177.93 177.60 2gc4 n TYR 64 N -4.54 0.54 -2.13 5.26 4.01 -1.26 -4.94 117.16 114.09 2gc4 n TYR 64 Ca 0.16 -1.35 -0.21 0.00 -0.16 0.00 0.00 57.90 56.34 2gc4 n TYR 64 Cb 0.29 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.09 -0.51 1.28 -0.72 0.00 -0.96 -4.80 120.51 113.70 2gc4 n ALA 65 Ca 0.24 0.22 0.14 0.00 0.00 0.00 0.00 53.44 54.04 2gc4 n ALA 65 Cb 0.84 -2.14 0.57 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.79 0.45 0.00 0.00 0.00 -1.13 -0.56 120.64 116.61 2gc4 n GLU 66 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 57.16 56.78 2gc4 n GLU 66 Cb 0.68 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.63 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 1.35 2.21 0.00 -1.84 0.00 0.33 -4.30 105.19 102.94 2gc4 n GLY 67 Ca 0.12 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 1.94 0.00 0.01 1.61 4.81 -1.22 -4.45 118.16 120.87 2gc4 n LYS 68 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 2gc4 n LYS 68 Cb 0.00 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.40 2gc4 n LYS 68 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2gc4 n ILE 69 N 0.00 0.07 -4.32 3.15 -0.00 -1.10 -4.80 119.36 112.36 2gc4 n ILE 69 Ca 0.00 -0.05 -0.25 0.00 -0.00 0.00 0.00 62.75 62.46 2gc4 n ILE 69 Cb 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 39.64 39.51 2gc4 n ILE 69 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2gc4 s GLY 70 N -3.11 2.09 0.56 3.28 0.00 0.45 -5.04 107.32 105.55 2gc4 s GLY 70 Ca 0.11 -1.97 -0.19 0.00 0.00 0.00 0.00 44.72 42.67 2gc4 s GLY 70 CO 0.65 -1.90 1.13 2.56 0.00 0.00 0.00 173.10 175.54 2gc4 s PRO 71 N -3.73 3.26 0.74 2.90 0.04 -1.26 -4.56 135.00 132.38 2gc4 s PRO 71 Ca 0.35 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 2gc4 s PRO 71 Cb 0.00 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.59 2gc4 s PRO 71 CO 0.20 -0.92 1.14 0.20 0.04 0.00 0.00 177.00 177.66 2gc4 s GLY 72 N -1.91 2.07 -0.03 0.56 0.00 -1.26 -4.48 107.32 102.27 2gc4 s GLY 72 Ca 0.72 0.61 0.05 0.00 0.00 0.00 0.00 44.72 46.10 2gc4 s GLY 72 CO 0.29 0.99 0.93 1.04 0.00 0.00 0.00 173.10 176.36 2gc4 n LEU 73 N -2.95 0.92 -1.12 0.66 4.77 0.27 -4.86 117.00 114.69 2gc4 n LEU 73 Ca 0.11 -1.49 0.08 0.00 -0.03 0.00 0.00 56.01 54.68 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 0.49 0.36 0.73 -0.46 -1.33 0.00 0.00 177.39 177.17 2gc4 n ASN 74 N -0.46 3.89 -3.75 -1.43 6.94 -1.06 -4.82 115.26 114.58 2gc4 n ASN 74 Ca 0.04 -2.34 -0.24 0.00 -0.02 0.00 0.00 54.58 52.02 2gc4 n ASN 74 Cb 0.57 -0.44 -0.07 0.00 -2.36 0.00 0.00 39.78 37.48 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 0.70 0.96 0.00 0.53 3.85 -1.26 -0.45 116.55 120.88 2gc4 n ASP 75 Ca 0.20 -3.14 0.08 0.00 -0.71 0.00 0.00 54.79 51.22 2gc4 n ASP 75 Cb 0.70 1.10 0.45 0.00 -1.35 0.00 0.00 41.12 42.03 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 -1.04 1.99 -2.58 2.12 0.00 -1.26 -4.76 120.51 114.97 2gc4 n ALA 76 Ca -0.15 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 2gc4 n ALA 76 Cb 0.60 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.42 3.64 -0.04 0.00 5.04 -1.26 -5.05 117.35 117.25 2gc4 s TYR 77 Ca 0.19 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 2gc4 s TYR 77 Cb 0.12 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 40.05 2gc4 s TYR 77 CO 0.24 0.44 -0.03 -1.58 -1.34 0.00 0.00 175.55 173.29 2gc4 s TRP 78 N -0.37 0.62 0.30 4.97 0.52 -1.26 -4.95 118.94 118.76 2gc4 s TRP 78 Ca 0.24 -0.14 -0.01 0.00 0.02 0.00 0.00 56.10 56.21 2gc4 s TRP 78 Cb -0.16 -0.62 0.47 0.00 -1.15 0.00 0.00 33.47 32.01 2gc4 s TRP 78 CO 0.12 -0.20 1.94 1.15 0.02 0.00 0.00 176.95 179.98 2gc4 h THR 79 N 6.20 1.15 -3.43 2.01 2.02 -1.97 -3.29 112.91 115.59 2gc4 h THR 79 Ca -0.36 -0.38 -0.71 0.00 0.77 0.00 0.00 66.41 65.73 2gc4 h THR 79 Cb 1.14 -0.05 -0.31 0.00 -1.74 0.00 0.00 68.15 67.20 2gc4 h THR 79 CO 0.44 0.20 -0.48 -0.31 0.37 0.00 0.00 175.52 175.74 2gc4 s TYR 80 N -5.93 3.43 0.37 3.16 2.02 -1.26 -4.99 117.35 114.16 2gc4 s TYR 80 Ca -0.12 -1.92 0.19 0.00 -0.37 0.00 0.00 57.07 54.86 2gc4 s TYR 80 Cb 0.19 -3.15 1.19 0.00 -0.40 0.00 0.00 41.96 39.79 2gc4 s TYR 80 CO 0.80 -0.93 1.66 -1.00 -1.57 0.00 0.00 175.55 174.51 2gc4 h PRO 81 N 8.29 0.24 0.00 -1.71 0.13 -2.00 -0.53 132.00 136.42 2gc4 h PRO 81 Ca -0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2gc4 h PRO 81 Cb 1.07 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2gc4 h PRO 81 CO 0.76 0.16 0.00 0.78 -0.23 0.00 0.00 178.00 179.47 2gc4 h GLY 82 N 0.25 0.00 1.24 1.56 0.00 -1.94 -2.73 103.07 101.44 2gc4 h GLY 82 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.08 2gc4 h GLY 82 CO -0.54 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.70 2gc4 n ASN 83 N -2.50 0.00 0.00 0.19 3.02 -0.21 -1.60 115.26 114.16 2gc4 n ASN 83 Ca -0.02 -0.26 0.14 0.00 -0.03 0.00 0.00 54.58 54.41 2gc4 n ASN 83 Cb 0.06 -0.12 0.63 0.00 -0.61 0.00 0.00 39.78 39.74 2gc4 n ASN 83 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2gc4 n GLU 84 N -1.12 0.13 -4.33 3.52 0.28 -1.03 -4.46 120.64 113.62 2gc4 n GLU 84 Ca 0.10 0.02 -0.29 0.00 -0.16 0.00 0.00 57.16 56.83 2gc4 n GLU 84 Cb 0.08 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.33 2gc4 n GLU 84 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2gc4 s THR 85 N -2.87 2.65 0.35 3.84 -4.23 -0.63 -4.47 115.64 110.28 2gc4 s THR 85 Ca 0.18 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 59.24 2gc4 s THR 85 Cb 0.19 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.94 2gc4 s THR 85 CO 0.49 0.09 1.85 0.44 -0.54 0.00 0.00 174.62 176.94 2gc4 h ASP 86 N 3.76 0.00 -0.60 3.99 3.32 -1.84 -0.79 116.42 124.26 2gc4 h ASP 86 Ca -0.50 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 2gc4 h ASP 86 Cb 1.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 2gc4 h ASP 86 CO 0.44 0.34 0.25 0.58 -1.72 0.00 0.00 179.24 179.13 2gc4 h VAL 87 N 0.00 1.23 -0.28 -1.35 2.07 -1.88 0.40 116.25 116.44 2gc4 h VAL 87 Ca -0.00 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 2gc4 h VAL 87 Cb 0.65 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2gc4 h VAL 87 CO 0.04 0.27 -0.12 1.23 0.02 0.00 0.00 177.57 179.02 2gc4 h GLY 88 N 0.83 0.63 0.99 2.17 0.00 -1.51 -1.67 103.07 104.51 2gc4 h GLY 88 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2gc4 h GLY 88 CO -0.02 0.50 0.30 -2.00 0.00 0.00 0.00 176.54 175.33 2gc4 h LEU 89 N 0.33 0.52 -0.38 3.11 5.85 -0.98 -1.11 115.31 122.65 2gc4 h LEU 89 Ca 0.07 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2gc4 h LEU 89 Cb 0.62 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2gc4 h LEU 89 CO 0.04 0.38 0.21 0.15 -0.34 0.00 0.00 178.44 178.87 2gc4 h PHE 90 N 0.62 0.38 -0.92 1.25 3.57 -0.86 -2.26 116.94 118.73 2gc4 h PHE 90 Ca 0.17 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.73 2gc4 h PHE 90 Cb -0.06 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 2gc4 h PHE 90 CO -0.05 0.22 0.60 0.77 -2.23 0.00 0.00 178.31 177.62 2gc4 h SER 91 N 0.42 0.96 -0.34 0.41 0.02 -0.75 0.16 113.55 114.43 2gc4 h SER 91 Ca 0.16 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2gc4 h SER 91 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2gc4 h SER 91 CO -0.09 0.64 0.14 0.74 -1.14 0.00 0.00 176.83 177.12 2gc4 h THR 92 N 1.10 1.18 -0.38 -2.27 2.02 -0.69 -1.11 112.91 112.77 2gc4 h THR 92 Ca 0.38 -0.56 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 2gc4 h THR 92 Cb 0.09 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2gc4 h THR 92 CO -0.13 0.20 -0.21 -0.07 0.37 0.00 0.00 175.52 175.68 2gc4 h LEU 93 N 0.41 0.84 0.16 2.58 3.38 -0.84 0.54 115.31 122.37 2gc4 h LEU 93 Ca 0.11 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2gc4 h LEU 93 Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2gc4 h LEU 93 CO -0.01 1.07 -0.08 0.22 0.09 0.00 0.00 178.44 179.74 2gc4 h TYR 94 N 0.61 -0.20 0.00 1.13 3.20 -0.95 0.25 116.97 121.01 2gc4 h TYR 94 Ca 0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2gc4 h TYR 94 Cb 0.77 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2gc4 h TYR 94 CO 0.06 0.23 -0.52 0.41 -1.64 0.00 0.00 178.16 176.70 2gc4 n GLY 95 N 0.30 -1.40 0.00 1.82 0.00 -0.43 -3.51 105.19 101.97 2gc4 n GLY 95 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.50 0.00 -0.02 0.00 0.18 -4.25 105.19 100.98 2gc4 n GLY 96 Ca 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.58 0.00 -2.63 4.61 0.00 0.85 -4.61 120.51 117.15 2gc4 n ALA 97 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2gc4 n ALA 97 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 3.50 1.95 0.00 0.00 -4.23 -1.24 -4.83 115.64 110.77 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 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.89 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 -0.99 3.22 0.13 3.99 0.00 -1.26 -2.15 105.19 108.14 2gc4 n GLY 99 Ca -0.06 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 13.83 1.18 -3.11 1.61 6.02 -1.26 -4.38 117.38 131.27 2gc4 n GLN 100 Ca 0.00 -0.26 -0.44 0.00 -0.01 0.00 0.00 57.00 56.29 2gc4 n GLN 100 Cb 0.00 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2gc4 n GLN 100 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2gc4 n MET 101 N -0.65 3.52 -2.70 -1.09 1.56 -0.91 -5.01 117.12 111.85 2gc4 n MET 101 Ca 0.21 -4.16 -0.19 0.00 -0.27 0.00 0.00 57.70 53.29 2gc4 n MET 101 Cb 0.16 -2.78 0.08 0.00 2.15 0.00 0.00 33.22 32.83 2gc4 n MET 101 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gc4 n GLY 102 N 3.23 1.58 3.72 -5.12 0.00 -1.26 -0.10 105.19 107.23 2gc4 n GLY 102 Ca 0.30 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 2gc4 n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gc4 n PRO 103 N -2.32 2.07 -0.04 1.61 -0.04 -1.26 -4.38 135.00 130.65 2gc4 n PRO 103 Ca 0.15 0.74 0.09 0.00 -0.04 0.00 0.00 63.50 64.44 2gc4 n PRO 103 Cb 0.55 -2.44 0.10 0.00 -0.04 0.00 0.00 33.50 31.66 2gc4 n PRO 103 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2gc4 n MET 104 N 0.10 1.69 0.22 0.54 2.81 0.08 -4.56 117.12 117.99 2gc4 n MET 104 Ca 0.06 -1.69 0.15 0.00 -1.81 0.00 0.00 57.70 54.40 2gc4 n MET 104 Cb 0.39 -1.36 0.74 0.00 -0.71 0.00 0.00 33.22 32.28 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 3.53 0.00 0.00 2.03 5.08 -1.78 0.11 115.95 124.92 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 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 2gc4 h TRP 105 CO 0.05 0.00 -0.39 0.41 -1.28 0.00 0.00 178.44 177.23 2gc4 n GLY 106 N -0.75 -1.50 0.00 11.11 0.00 -1.26 -4.33 105.19 108.46 2gc4 n GLY 106 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.07 4.86 -4.38 1.61 7.64 -0.62 -5.05 113.62 115.60 2gc4 n SER 107 Ca 0.04 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.61 2gc4 n SER 107 Cb 0.42 0.73 -0.14 0.00 -1.01 0.00 0.00 64.21 64.21 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 -3.62 2.33 0.70 -3.43 1.43 -0.07 -5.13 118.68 110.89 2gc4 s LEU 108 Ca -0.00 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2gc4 s LEU 108 Cb 0.00 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.82 2gc4 s LEU 108 CO 0.02 0.30 1.08 0.42 0.23 0.00 0.00 176.35 178.41 2gc4 s THR 109 N -0.73 3.70 0.25 5.49 -4.23 -1.26 -4.56 115.64 114.30 2gc4 s THR 109 Ca 0.11 0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 61.14 2gc4 s THR 109 Cb -0.10 -3.52 0.22 0.00 1.34 0.00 0.00 72.50 70.44 2gc4 s THR 109 CO 0.01 -0.72 1.82 -0.07 -0.54 0.00 0.00 174.62 175.12 2gc4 h LEU 110 N -0.63 0.74 -0.48 4.79 4.07 -1.77 -1.39 115.31 120.64 2gc4 h LEU 110 Ca -0.45 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.52 2gc4 h LEU 110 Cb 1.24 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.85 2gc4 h LEU 110 CO 0.63 0.43 0.18 -0.78 -1.08 0.00 0.00 178.44 177.82 2gc4 h ASP 111 N 0.85 0.66 -0.37 -0.43 3.58 -1.61 -2.68 116.42 116.43 2gc4 h ASP 111 Ca 0.40 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 2gc4 h ASP 111 Cb 0.32 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2gc4 h ASP 111 CO -0.23 0.66 0.18 -0.33 -2.88 0.00 0.00 179.24 176.64 2gc4 h GLU 112 N 0.63 0.58 -0.36 0.28 5.08 -1.68 -1.58 114.58 117.54 2gc4 h GLU 112 Ca 0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2gc4 h GLU 112 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2gc4 h GLU 112 CO -0.01 0.47 0.16 0.52 -1.00 0.00 0.00 179.01 179.15 2gc4 h MET 113 N 0.58 0.53 -0.82 2.33 2.86 -0.96 0.26 114.93 119.72 2gc4 h MET 113 Ca 0.15 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2gc4 h MET 113 Cb 0.09 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2gc4 h MET 113 CO -0.02 0.50 0.41 -0.07 1.06 0.00 0.00 176.91 178.79 2gc4 h LEU 114 N 0.45 1.05 -0.56 1.22 3.38 -1.11 0.38 115.31 120.11 2gc4 h LEU 114 Ca 0.12 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2gc4 h LEU 114 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2gc4 h LEU 114 CO -0.01 0.87 -0.15 0.03 0.09 0.00 0.00 178.44 179.27 2gc4 h ARG 115 N 1.16 1.00 -0.55 1.13 3.08 -0.99 -1.76 114.38 117.45 2gc4 h ARG 115 Ca 0.28 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 2gc4 h ARG 115 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2gc4 h ARG 115 CO -0.04 1.07 0.12 1.15 -1.07 0.00 0.00 179.97 181.20 2gc4 h THR 116 N 0.88 1.25 -0.95 2.04 2.02 -0.50 -2.71 112.91 114.94 2gc4 h THR 116 Ca 0.13 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.44 2gc4 h THR 116 Cb 0.71 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 2gc4 h THR 116 CO 0.05 0.33 0.61 0.24 0.37 0.00 0.00 175.52 177.13 2gc4 h MET 117 N 0.79 1.14 -0.63 6.66 2.86 -0.73 -2.00 114.93 123.02 2gc4 h MET 117 Ca 0.17 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2gc4 h MET 117 Cb 0.36 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2gc4 h MET 117 CO 0.00 0.76 0.42 0.00 1.06 0.00 0.00 176.91 179.15 2gc4 h ALA 118 N 1.40 1.55 -0.19 6.32 0.00 -1.00 -1.32 119.26 126.01 2gc4 h ALA 118 Ca 0.38 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 2gc4 h ALA 118 Cb 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2gc4 h ALA 118 CO -0.13 0.42 -0.59 2.35 0.00 0.00 0.00 179.25 181.30 2gc4 h TRP 119 N 0.86 0.78 -0.71 0.00 2.91 -1.20 -1.77 115.95 116.82 2gc4 h TRP 119 Ca 0.23 -0.29 -0.03 0.00 1.13 0.00 0.00 58.89 59.93 2gc4 h TRP 119 Cb -0.10 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.38 2gc4 h TRP 119 CO 0.00 1.05 0.33 0.28 -1.03 0.00 0.00 178.44 179.07 2gc4 h VAL 120 N 0.46 1.24 -0.25 2.65 2.07 -0.97 -1.91 116.25 119.54 2gc4 h VAL 120 Ca -0.00 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 2gc4 h VAL 120 Cb 1.15 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2gc4 h VAL 120 CO 0.11 0.28 -0.15 0.03 0.02 0.00 0.00 177.57 177.87 2gc4 h ARG 121 N 0.99 0.43 0.00 1.57 2.47 -1.13 -2.55 114.38 116.17 2gc4 h ARG 121 Ca 0.24 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 2gc4 h ARG 121 Cb 0.13 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2gc4 h ARG 121 CO -0.03 0.57 -0.21 1.25 0.56 0.00 0.00 179.97 182.11 2gc4 h HIS 122 N 0.40 0.00 -0.00 3.04 2.76 -0.58 -2.57 115.15 118.19 2gc4 h HIS 122 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2gc4 h HIS 122 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2gc4 h HIS 122 CO 0.01 0.21 -0.05 1.28 -1.30 0.00 0.00 177.93 178.08 2gc4 n LEU 123 N -3.54 0.39 -4.66 0.26 4.77 -0.80 -4.41 117.00 109.01 2gc4 n LEU 123 Ca -0.01 -0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.51 2gc4 n LEU 123 Cb 0.37 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2gc4 n LEU 123 CO 0.33 0.07 1.07 0.00 -1.33 0.00 0.00 177.39 177.52 2gc4 n TYR 124 N -0.90 2.13 0.60 -1.77 9.36 -0.97 -4.53 117.16 121.09 2gc4 n TYR 124 Ca 0.17 0.39 0.07 0.00 3.32 0.00 0.00 57.90 61.85 2gc4 n TYR 124 Cb 0.24 -2.48 0.04 0.00 -0.63 0.00 0.00 39.34 36.51 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 2.53 0.00 -1.15 2.97 -2.24 0.40 -1.34 114.28 115.44 2gc4 n THR 125 Ca 0.14 -0.46 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 2gc4 n THR 125 Cb 0.29 1.26 0.05 0.00 -2.10 0.00 0.00 70.33 69.83 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 0.88 -1.37 3.72 3.38 0.00 -1.26 -4.76 105.19 105.78 2gc4 n GLY 126 Ca 0.08 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.17 7.30 0.35 1.61 2.15 -1.26 -4.54 116.67 120.10 2gc4 s ASP 127 Ca 0.18 1.92 0.10 0.00 0.43 0.00 0.00 52.55 55.18 2gc4 s ASP 127 Cb -0.01 -2.59 0.86 0.00 -0.30 0.00 0.00 42.92 40.89 2gc4 s ASP 127 CO 0.13 -0.25 1.81 -0.65 -0.17 0.00 0.00 175.17 176.04 2gc4 h PRO 128 N 5.93 0.63 0.00 4.34 0.11 -1.94 0.29 132.00 141.36 2gc4 h PRO 128 Ca -0.43 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gc4 h PRO 128 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2gc4 h PRO 128 CO 0.75 0.41 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.73 2gc4 h LYS 129 N 0.65 0.00 -0.13 1.05 3.11 -1.93 -0.94 116.57 118.37 2gc4 h LYS 129 Ca 0.53 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.37 2gc4 h LYS 129 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 2gc4 h LYS 129 CO -0.29 0.01 0.00 -0.25 -2.81 0.00 0.00 179.45 176.10 2gc4 n ASP 130 N -3.16 2.34 -4.42 4.20 8.00 0.10 -4.68 116.55 118.93 2gc4 n ASP 130 Ca -0.02 -1.78 -0.45 0.00 0.71 0.00 0.00 54.79 53.25 2gc4 n ASP 130 Cb 0.12 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 2gc4 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gc4 s ALA 131 N -1.86 3.99 -1.35 2.24 0.00 -0.36 -4.84 121.76 119.59 2gc4 s ALA 131 Ca 0.34 -3.30 0.16 0.00 0.00 0.00 0.00 51.96 49.16 2gc4 s ALA 131 Cb 0.20 -3.93 0.78 0.00 0.00 0.00 0.00 23.12 20.17 2gc4 s ALA 131 CO 0.30 -2.66 1.46 -1.13 0.00 0.00 0.00 175.76 173.74 2gc4 n SER 132 N 5.12 0.00 -0.54 0.00 3.41 -1.26 -2.29 113.62 118.06 2gc4 n SER 132 Ca 0.28 0.14 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 2gc4 n SER 132 Cb 0.44 -0.33 0.45 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.33 0.07 -4.32 7.33 2.14 -1.26 -4.88 117.44 115.19 2gc4 n TRP 133 Ca 0.07 -0.03 -0.31 0.00 2.07 0.00 0.00 57.50 59.29 2gc4 n TRP 133 Cb 0.14 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.54 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 -1.87 3.23 0.81 5.67 1.02 -0.97 -4.93 118.68 121.64 2gc4 s LEU 134 Ca 0.36 -0.20 -0.12 0.00 0.02 0.00 0.00 54.13 54.19 2gc4 s LEU 134 Cb 0.20 -1.92 0.09 0.00 0.02 0.00 0.00 46.19 44.58 2gc4 s LEU 134 CO 0.31 0.23 1.17 0.42 0.02 0.00 0.00 176.35 178.51 2gc4 s THR 135 N -1.12 2.02 0.19 5.49 -4.23 -1.26 -4.78 115.64 111.95 2gc4 s THR 135 Ca 0.20 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.57 2gc4 s THR 135 Cb -0.11 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.83 2gc4 s THR 135 CO 0.11 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.45 2gc4 h ASP 136 N -1.05 0.56 -0.49 3.99 3.45 -1.99 0.11 116.42 120.99 2gc4 h ASP 136 Ca -0.46 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.00 2gc4 h ASP 136 Cb 1.32 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.96 2gc4 h ASP 136 CO 0.64 0.38 0.26 -0.33 -1.57 0.00 0.00 179.24 178.62 2gc4 h GLU 137 N 0.68 0.69 -0.65 3.56 3.07 -2.00 -1.84 114.58 118.09 2gc4 h GLU 137 Ca 0.25 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 2gc4 h GLU 137 Cb 0.06 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 2gc4 h GLU 137 CO -0.12 0.55 0.19 1.96 -1.40 0.00 0.00 179.01 180.19 2gc4 h GLN 138 N 0.65 1.00 -0.72 2.33 4.20 -1.78 -2.49 115.11 118.30 2gc4 h GLN 138 Ca 0.17 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2gc4 h GLN 138 Cb 0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2gc4 h GLN 138 CO -0.03 0.87 0.27 0.87 -0.67 0.00 0.00 178.83 180.14 2gc4 h LYS 139 N 0.96 1.07 -1.00 1.46 1.57 -0.46 -2.05 116.57 118.12 2gc4 h LYS 139 Ca 0.21 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2gc4 h LYS 139 Cb 0.30 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 2gc4 h LYS 139 CO -0.01 0.88 0.65 0.00 -0.57 0.00 0.00 179.45 180.40 2gc4 h ALA 140 N 1.25 1.41 -0.50 3.86 0.00 -0.87 -2.25 119.26 122.15 2gc4 h ALA 140 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2gc4 h ALA 140 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2gc4 h ALA 140 CO -0.02 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2gc4 n GLY 141 N -1.36 1.79 3.77 0.00 0.00 -1.06 -4.95 105.19 103.38 2gc4 n GLY 141 Ca 0.16 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.34 3.70 -0.07 1.61 5.36 -0.79 -5.07 117.98 121.38 2gc4 s PHE 142 Ca 0.41 1.19 0.01 0.00 -0.96 0.00 0.00 56.93 57.58 2gc4 s PHE 142 Cb 0.22 -2.57 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 2gc4 s PHE 142 CO 0.31 0.40 -0.09 0.95 -1.46 0.00 0.00 175.22 175.33 2gc4 s THR 143 N -0.37 0.98 0.19 0.12 -4.23 -1.26 -4.89 115.64 106.17 2gc4 s THR 143 Ca 0.30 -0.35 -0.31 0.00 -1.18 0.00 0.00 61.69 60.15 2gc4 s THR 143 Cb -0.18 -0.94 -0.16 0.00 1.34 0.00 0.00 72.50 72.56 2gc4 s THR 143 CO 0.17 0.33 0.91 -2.65 -0.54 0.00 0.00 174.62 172.84 2gc4 n PRO 144 N 4.17 0.72 -1.99 3.99 -0.02 -1.26 -4.85 135.00 135.75 2gc4 n PRO 144 Ca -0.20 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.16 2gc4 n PRO 144 Cb 0.51 -1.56 0.03 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.65 2.42 -0.15 6.00 5.36 -0.45 -4.97 117.98 125.55 2gc4 s PHE 145 Ca 0.68 1.49 -0.08 0.00 -0.96 0.00 0.00 56.93 58.06 2gc4 s PHE 145 Cb -0.88 -3.54 0.05 0.00 -0.34 0.00 0.00 43.02 38.31 2gc4 s PHE 145 CO 0.56 -2.29 0.35 -0.65 -1.46 0.00 0.00 175.22 171.73 2gc4 s GLN 146 N -3.17 0.33 0.00 10.12 -0.21 -1.26 -4.78 119.66 120.69 2gc4 s GLN 146 Ca 0.75 0.68 0.01 0.00 0.02 0.00 0.00 55.36 56.82 2gc4 s GLN 146 Cb -0.32 -0.04 0.08 0.00 1.00 0.00 0.00 33.01 33.72 2gc4 s GLN 146 CO 0.36 -0.15 0.57 -2.30 -2.12 0.00 0.00 175.29 171.65