#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gb4 h ALA 11 N 0.00 1.14 0.00 -1.67 0.00 -2.01 -2.49 119.26 114.23 2gb4 h ALA 11 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gb4 h ALA 11 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2gb4 h ALA 11 CO 0.00 0.01 -0.51 0.39 0.00 0.00 0.00 179.25 179.14 2gb4 n GLU 12 N -3.30 0.10 0.13 0.00 1.02 -1.26 -4.44 120.64 112.90 2gb4 n GLU 12 Ca -0.03 0.03 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 2gb4 n GLU 12 Cb 0.10 -1.56 0.69 0.00 -0.02 0.00 0.00 31.44 30.65 2gb4 n GLU 12 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2gb4 h VAL 13 N 0.00 0.80 -0.42 2.62 2.07 -1.84 -2.03 116.25 117.45 2gb4 h VAL 13 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2gb4 h VAL 13 Cb 0.59 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2gb4 h VAL 13 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2gb4 n GLN 14 N -4.35 3.15 0.26 1.57 6.02 -1.26 -4.65 117.38 118.12 2gb4 n GLN 14 Ca 0.04 -2.55 0.09 0.00 -0.01 0.00 0.00 57.00 54.56 2gb4 n GLN 14 Cb 0.36 -1.64 0.67 0.00 1.02 0.00 0.00 30.24 30.66 2gb4 n GLN 14 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2gb4 h LYS 15 N 2.62 0.00 -0.42 -1.09 2.10 -1.63 -1.03 116.57 117.11 2gb4 h LYS 15 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2gb4 h LYS 15 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2gb4 h LYS 15 CO 0.14 0.06 0.00 0.09 -2.00 0.00 0.00 179.45 177.74 2gb4 n ASN 16 N -4.24 3.34 -4.77 7.07 5.03 -1.26 -3.95 115.26 116.48 2gb4 n ASN 16 Ca -0.03 -1.95 -0.38 0.00 0.87 0.00 0.00 54.58 53.10 2gb4 n ASN 16 Cb 0.15 -0.28 -0.04 0.00 -1.02 0.00 0.00 39.78 38.58 2gb4 n ASN 16 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2gb4 s GLN 17 N -1.23 4.41 -0.02 3.52 -0.21 -0.39 -5.04 119.66 120.70 2gb4 s GLN 17 Ca 0.36 1.59 -0.00 0.00 0.02 0.00 0.00 55.36 57.33 2gb4 s GLN 17 Cb 0.20 -2.83 0.03 0.00 1.00 0.00 0.00 33.01 31.40 2gb4 s GLN 17 CO 0.27 0.06 0.03 0.08 -2.12 0.00 0.00 175.29 173.62 2gb4 s VAL 18 N -1.45 -0.05 -0.06 1.09 1.01 -1.26 -4.18 120.40 115.49 2gb4 s VAL 18 Ca 0.51 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2gb4 s VAL 18 Cb -0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2gb4 s VAL 18 CO 0.32 0.08 -0.10 -0.22 0.00 0.00 0.00 175.10 175.18 2gb4 s LEU 19 N 0.93 3.01 0.59 3.92 2.96 -1.26 -5.07 118.68 123.76 2gb4 s LEU 19 Ca -0.08 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2gb4 s LEU 19 Cb -0.11 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.98 2gb4 s LEU 19 CO -0.03 0.35 0.83 0.42 -1.32 0.00 0.00 176.35 176.61 2gb4 s THR 20 N -0.74 2.56 0.34 3.68 -4.23 -1.26 -4.85 115.64 111.14 2gb4 s THR 20 Ca 0.11 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 2gb4 s THR 20 Cb -0.11 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.02 2gb4 s THR 20 CO 0.01 0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.01 2gb4 h LEU 21 N -0.09 0.78 -0.62 4.79 3.38 -2.01 -1.83 115.31 119.71 2gb4 h LEU 21 Ca -0.42 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 2gb4 h LEU 21 Cb 1.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2gb4 h LEU 21 CO 0.53 0.55 -0.61 -0.33 0.09 0.00 0.00 178.44 178.67 2gb4 h GLU 22 N 0.91 0.29 -0.64 1.13 4.39 -1.99 -1.53 114.58 117.13 2gb4 h GLU 22 Ca 0.28 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2gb4 h GLU 22 Cb -0.01 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2gb4 h GLU 22 CO -0.07 0.81 0.28 -0.44 -1.16 0.00 0.00 179.01 178.43 2gb4 h ASP 23 N 0.21 0.86 -0.52 1.42 3.32 -1.73 -0.42 116.42 119.56 2gb4 h ASP 23 Ca -0.01 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 2gb4 h ASP 23 Cb 1.12 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2gb4 h ASP 23 CO 0.10 0.77 0.05 -0.50 -1.72 0.00 0.00 179.24 177.94 2gb4 h TRP 24 N 0.89 0.96 -0.93 4.55 4.06 -1.19 -0.72 115.95 123.56 2gb4 h TRP 24 Ca 0.22 -0.15 0.04 0.00 2.06 0.00 0.00 58.89 61.06 2gb4 h TRP 24 Cb 0.16 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.01 2gb4 h TRP 24 CO 0.01 0.87 0.61 0.87 -3.56 0.00 0.00 178.44 177.23 2gb4 h LYS 25 N 0.77 1.12 -0.34 0.49 1.57 -1.11 -2.48 116.57 116.58 2gb4 h LYS 25 Ca 0.15 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2gb4 h LYS 25 Cb 0.45 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2gb4 h LYS 25 CO 0.02 0.74 -0.31 1.49 -0.57 0.00 0.00 179.45 180.81 2gb4 h GLU 26 N 1.15 0.74 -0.80 3.15 4.81 -0.74 -1.66 114.58 121.24 2gb4 h GLU 26 Ca 0.37 -0.34 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 2gb4 h GLU 26 Cb 0.04 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 2gb4 h GLU 26 CO -0.12 0.96 0.39 0.87 -0.73 0.00 0.00 179.01 180.38 2gb4 h LYS 27 N 0.63 0.57 -0.47 1.92 1.57 -0.70 -0.68 116.57 119.42 2gb4 h LYS 27 Ca 0.07 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 2gb4 h LYS 27 Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2gb4 h LYS 27 CO 0.07 0.38 -0.24 -1.49 -0.57 0.00 0.00 179.45 177.61 2gb4 h TRP 28 N 0.59 1.14 -0.59 -1.35 4.06 -1.11 0.15 115.95 118.83 2gb4 h TRP 28 Ca 0.42 -0.28 -0.06 0.00 2.06 0.00 0.00 58.89 61.03 2gb4 h TRP 28 Cb 0.56 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 2gb4 h TRP 28 CO -0.11 1.11 0.11 0.28 -3.56 0.00 0.00 178.44 176.27 2gb4 h VAL 29 N 0.85 1.24 -0.02 1.49 2.07 -0.85 -3.04 116.25 118.00 2gb4 h VAL 29 Ca 0.10 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2gb4 h VAL 29 Cb 0.82 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2gb4 h VAL 29 CO 0.07 0.34 -0.20 0.35 0.02 0.00 0.00 177.57 178.15 2gb4 n THR 30 N -4.24 0.00 -1.96 2.57 -2.24 -0.30 -4.95 114.28 103.15 2gb4 n THR 30 Ca 0.04 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 2gb4 n THR 30 Cb 0.26 0.82 -0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2gb4 n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gb4 n ARG 31 N 0.06 -0.27 -2.80 -0.78 5.12 -0.22 -4.96 116.66 112.82 2gb4 n ARG 31 Ca 0.14 0.21 -0.44 0.00 -1.93 0.00 0.00 57.85 55.83 2gb4 n ARG 31 Cb 0.42 -3.90 0.00 0.00 -1.16 0.00 0.00 32.46 27.83 2gb4 n ARG 31 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2gb4 n HIS 32 N -3.89 4.25 -2.42 -1.55 8.25 0.35 -4.78 115.22 115.43 2gb4 n HIS 32 Ca -0.04 -3.20 -0.20 0.00 -0.26 0.00 0.00 57.72 54.02 2gb4 n HIS 32 Cb 0.49 -2.03 0.02 0.00 1.12 0.00 0.00 29.99 29.59 2gb4 n HIS 32 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2gb4 n ILE 33 N 3.88 2.07 0.30 1.59 -5.35 -1.26 -4.63 119.36 115.96 2gb4 n ILE 33 Ca 0.36 -4.20 0.15 0.00 -0.27 0.00 0.00 62.75 58.79 2gb4 n ILE 33 Cb 0.40 -0.63 0.69 0.00 -1.74 0.00 0.00 39.64 38.36 2gb4 n ILE 33 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2gb4 h SER 34 N 2.54 0.00 0.34 7.28 4.64 -1.98 -1.57 113.55 124.80 2gb4 h SER 34 Ca 0.21 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 2gb4 h SER 34 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2gb4 h SER 34 CO 0.69 0.00 -0.26 2.19 -0.87 0.00 0.00 176.83 178.58 2gb4 h PHE 35 N 0.00 0.00 -3.45 4.77 -5.15 -2.01 -3.45 116.94 107.65 2gb4 h PHE 35 Ca 0.00 0.00 -0.52 0.00 -0.20 0.00 0.00 57.97 57.25 2gb4 h PHE 35 Cb 0.25 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.45 2gb4 h PHE 35 CO 0.00 0.26 0.63 -1.58 -2.00 0.00 0.00 178.31 175.63 2gb4 s HIS 36 N -4.29 3.27 -0.40 6.09 2.46 -0.59 -4.99 115.29 116.83 2gb4 s HIS 36 Ca -0.03 1.27 -0.08 0.00 0.47 0.00 0.00 55.06 56.69 2gb4 s HIS 36 Cb 0.14 -3.58 0.08 0.00 -0.13 0.00 0.00 32.58 29.09 2gb4 s HIS 36 CO 0.69 -1.76 0.22 -0.65 -2.47 0.00 0.00 174.74 170.77 2gb4 s GLN 37 N -0.30 2.53 0.50 2.88 -0.21 -1.26 -4.96 119.66 118.85 2gb4 s GLN 37 Ca 0.55 -1.46 0.23 0.00 0.02 0.00 0.00 55.36 54.71 2gb4 s GLN 37 Cb -0.36 -3.70 1.33 0.00 1.00 0.00 0.00 33.01 31.29 2gb4 s GLN 37 CO 0.39 -0.92 2.06 0.93 -2.12 0.00 0.00 175.29 175.64 2gb4 h GLU 38 N 8.33 0.00 -0.03 2.91 5.08 -1.99 -0.83 114.58 128.04 2gb4 h GLU 38 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2gb4 h GLU 38 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2gb4 h GLU 38 CO 0.72 0.13 -0.01 1.04 -1.00 0.00 0.00 179.01 179.90 2gb4 n GLN 39 N -3.91 2.18 0.00 2.33 1.13 -1.26 -5.02 117.38 112.82 2gb4 n GLN 39 Ca -0.02 -1.72 0.00 0.00 -1.94 0.00 0.00 57.00 53.32 2gb4 n GLN 39 Cb 0.22 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.11 2gb4 n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gb4 n GLY 40 N 1.31 -1.06 3.68 1.08 0.00 -0.32 -4.89 105.19 105.00 2gb4 n GLY 40 Ca 0.15 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 2gb4 n GLY 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gb4 s HIS 41 N -3.06 3.42 0.02 1.61 2.46 -1.26 -4.93 115.29 113.55 2gb4 s HIS 41 Ca 0.00 1.50 0.16 0.00 0.47 0.00 0.00 55.06 57.19 2gb4 s HIS 41 Cb 0.00 -3.25 0.31 0.00 -0.13 0.00 0.00 32.58 29.52 2gb4 s HIS 41 CO 0.00 -0.48 1.56 1.96 -2.47 0.00 0.00 174.74 175.31 2gb4 h GLN 42 N 7.23 0.00 -0.09 2.88 1.08 -1.99 -1.69 115.11 122.52 2gb4 h GLN 42 Ca -0.30 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.66 2gb4 h GLN 42 Cb 1.14 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.58 2gb4 h GLN 42 CO 0.88 0.50 -0.88 -0.07 -0.95 0.00 0.00 178.83 178.31 2gb4 h LEU 43 N 0.00 0.89 -0.35 1.46 3.38 -2.00 -2.05 115.31 116.63 2gb4 h LEU 43 Ca -0.01 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.35 2gb4 h LEU 43 Cb 1.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2gb4 h LEU 43 CO 0.07 1.43 0.21 0.25 0.09 0.00 0.00 178.44 180.49 2gb4 h LEU 44 N 0.46 0.35 -0.52 1.67 5.85 -1.94 -0.85 115.31 120.32 2gb4 h LEU 44 Ca -0.08 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2gb4 h LEU 44 Cb 1.51 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.38 2gb4 h LEU 44 CO 0.17 0.25 -0.02 0.50 -0.34 0.00 0.00 178.44 179.01 2gb4 h LYS 45 N 0.43 0.10 -0.77 1.25 3.64 -1.29 0.24 116.57 120.16 2gb4 h LYS 45 Ca 0.14 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2gb4 h LYS 45 Cb -0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 2gb4 h LYS 45 CO -0.06 0.06 0.42 -0.22 -2.27 0.00 0.00 179.45 177.38 2gb4 h LYS 46 N 0.10 1.08 -0.37 1.90 3.64 -0.86 -3.00 116.57 119.05 2gb4 h LYS 46 Ca 0.26 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2gb4 h LYS 46 Cb 0.40 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2gb4 h LYS 46 CO -0.45 0.80 0.00 0.72 -2.27 0.00 0.00 179.45 178.25 2gb4 n HIS 47 N -4.35 0.48 -0.08 1.91 8.25 -0.37 -4.61 115.22 116.45 2gb4 n HIS 47 Ca 0.08 -0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 2gb4 n HIS 47 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2gb4 n HIS 47 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2gb4 h LEU 48 N 4.36 0.36 -0.61 2.41 5.85 -0.43 -0.68 115.31 126.56 2gb4 h LEU 48 Ca 0.00 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2gb4 h LEU 48 Cb 0.96 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2gb4 h LEU 48 CO 0.00 0.46 0.32 0.44 -0.34 0.00 0.00 178.44 179.32 2gb4 h ASP 49 N 0.24 0.47 0.21 1.25 3.32 -1.81 -0.58 116.42 119.51 2gb4 h ASP 49 Ca 0.08 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 2gb4 h ASP 49 Cb 0.22 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2gb4 h ASP 49 CO -0.00 0.31 -0.58 0.74 -1.72 0.00 0.00 179.24 177.98 2gb4 h THR 50 N 0.61 1.35 -0.83 0.35 2.02 -1.83 0.59 112.91 115.17 2gb4 h THR 50 Ca 0.27 -1.90 0.06 0.00 0.77 0.00 0.00 66.41 65.62 2gb4 h THR 50 Cb 0.18 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 2gb4 h THR 50 CO -0.18 0.57 0.54 0.15 0.37 0.00 0.00 175.52 176.97 2gb4 h PHE 51 N 0.29 0.93 -0.14 3.16 3.57 0.05 -1.90 116.94 122.90 2gb4 h PHE 51 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2gb4 h PHE 51 Cb 1.11 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2gb4 h PHE 51 CO 0.03 0.49 0.00 1.28 -2.23 0.00 0.00 178.31 177.88 2gb4 n LEU 52 N -4.48 3.08 -4.65 0.59 4.77 -0.34 -5.00 117.00 110.95 2gb4 n LEU 52 Ca 0.12 -1.16 -0.49 0.00 -0.03 0.00 0.00 56.01 54.46 2gb4 n LEU 52 Cb 0.20 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2gb4 n LEU 52 CO 0.33 0.57 1.17 1.17 -1.33 0.00 0.00 177.39 179.30 2gb4 n LYS 53 N 1.34 1.84 -0.43 3.23 4.81 0.20 -1.16 118.16 128.01 2gb4 n LYS 53 Ca 0.15 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 2gb4 n LYS 53 Cb 0.58 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.22 2gb4 n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gb4 n GLY 54 N 3.39 0.38 3.90 3.14 0.00 -1.26 -4.97 105.19 109.76 2gb4 n GLY 54 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2gb4 n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gb4 s GLN 55 N -0.53 3.48 -0.00 1.61 -1.52 -0.30 -5.11 119.66 117.28 2gb4 s GLN 55 Ca 0.00 -0.25 0.06 0.00 -1.95 0.00 0.00 55.36 53.22 2gb4 s GLN 55 Cb 0.00 -3.09 -0.02 0.00 -0.22 0.00 0.00 33.01 29.69 2gb4 s GLN 55 CO 0.00 0.66 -0.19 -1.12 -0.25 0.00 0.00 175.29 174.39 2gb4 s SER 56 N -1.88 2.26 -1.13 5.90 0.01 -1.26 -4.81 113.70 112.78 2gb4 s SER 56 Ca 0.28 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 2gb4 s SER 56 Cb -0.13 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.87 2gb4 s SER 56 CO 0.18 0.21 0.80 0.61 0.41 0.00 0.00 173.24 175.45 2gb4 n GLY 57 N 2.45 -0.25 3.77 3.44 0.00 -1.24 -4.97 105.19 108.38 2gb4 n GLY 57 Ca -0.15 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2gb4 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gb4 s LEU 58 N -5.83 3.48 -0.25 0.99 1.43 -1.26 -4.72 118.68 112.52 2gb4 s LEU 58 Ca 0.40 2.08 -0.10 0.00 -1.03 0.00 0.00 54.13 55.48 2gb4 s LEU 58 Cb -0.17 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 2gb4 s LEU 58 CO 0.49 -1.58 0.15 -0.13 0.23 0.00 0.00 176.35 175.51 2gb4 s ARG 59 N -3.86 3.96 -0.10 1.70 0.52 -1.26 -0.04 118.95 119.86 2gb4 s ARG 59 Ca 0.69 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 55.60 2gb4 s ARG 59 Cb -0.22 -3.52 0.01 0.00 0.52 0.00 0.00 34.95 31.74 2gb4 s ARG 59 CO 0.38 -0.04 -0.18 0.08 0.02 0.00 0.00 175.30 175.56 2gb4 s VAL 60 N 1.31 1.67 -0.13 3.52 1.01 0.63 -0.95 120.40 127.47 2gb4 s VAL 60 Ca 0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2gb4 s VAL 60 Cb -0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2gb4 s VAL 60 CO 0.06 0.47 -0.03 0.12 0.00 0.00 0.00 175.10 175.73 2gb4 s PHE 61 N 0.75 3.06 -0.59 5.22 5.36 -0.19 -1.24 117.98 130.35 2gb4 s PHE 61 Ca -0.11 -0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 55.70 2gb4 s PHE 61 Cb -0.16 -1.89 0.15 0.00 -0.34 0.00 0.00 43.02 40.78 2gb4 s PHE 61 CO 0.02 0.15 0.43 -0.06 -1.46 0.00 0.00 175.22 174.30 2gb4 s PHE 62 N -0.11 3.49 0.44 10.12 0.40 0.11 -1.96 117.98 130.48 2gb4 s PHE 62 Ca 0.03 -2.36 -0.25 0.00 -0.60 0.00 0.00 56.93 53.75 2gb4 s PHE 62 Cb -0.13 -3.37 -0.08 0.00 0.51 0.00 0.00 43.02 39.95 2gb4 s PHE 62 CO 0.02 -0.92 1.32 -1.25 0.70 0.00 0.00 175.22 175.09 2gb4 s PRO 63 N 0.50 3.76 -1.25 0.24 0.04 -1.26 -2.90 135.00 134.14 2gb4 s PRO 63 Ca 0.13 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.31 2gb4 s PRO 63 Cb -0.21 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 2gb4 s PRO 63 CO -0.04 -0.67 0.74 1.28 0.04 0.00 0.00 177.00 178.35 2gb4 n LEU 64 N -0.18 -3.34 0.17 -3.56 4.32 -0.67 -4.70 117.00 109.05 2gb4 n LEU 64 Ca 0.05 -0.84 0.13 0.00 -0.02 0.00 0.00 56.01 55.33 2gb4 n LEU 64 Cb 0.44 -2.68 0.34 0.00 -1.62 0.00 0.00 43.42 39.90 2gb4 n LEU 64 CO 0.55 0.39 0.86 0.00 -1.22 0.00 0.00 177.39 177.97 2gb4 n GLY 66 N 0.98 3.27 1.31 0.00 0.00 -1.26 -1.00 105.19 108.48 2gb4 n GLY 66 Ca 0.04 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2gb4 n GLY 66 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2gb4 n LYS 67 N 14.00 2.44 -1.63 1.61 2.85 -1.26 -4.40 118.16 131.78 2gb4 n LYS 67 Ca 0.00 -3.62 -0.60 0.00 -1.05 0.00 0.00 58.31 53.04 2gb4 n LYS 67 Cb 0.00 -1.93 -0.09 0.00 -0.65 0.00 0.00 35.03 32.36 2gb4 n LYS 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gb4 n ALA 68 N -0.96 -0.34 0.29 0.58 0.00 -0.17 -4.81 120.51 115.11 2gb4 n ALA 68 Ca 0.33 0.34 0.17 0.00 0.00 0.00 0.00 53.44 54.27 2gb4 n ALA 68 Cb 0.85 -2.15 0.64 0.00 0.00 0.00 0.00 19.45 18.80 2gb4 n ALA 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2gb4 h ILE 69 N 5.64 0.00 0.00 0.00 3.07 -1.90 -2.50 117.51 121.81 2gb4 h ILE 69 Ca -0.38 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.53 2gb4 h ILE 69 Cb 1.35 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 39.37 2gb4 h ILE 69 CO 0.99 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.47 2gb4 n GLU 70 N -2.99 0.18 0.13 0.16 4.71 -1.26 -1.61 120.64 119.96 2gb4 n GLU 70 Ca 0.01 0.41 0.04 0.00 -0.01 0.00 0.00 57.16 57.61 2gb4 n GLU 70 Cb 0.31 -1.85 0.46 0.00 -1.01 0.00 0.00 31.44 29.35 2gb4 n GLU 70 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 2gb4 h MET 71 N 0.00 0.23 -0.05 3.49 2.86 -1.82 -1.18 114.93 118.46 2gb4 h MET 71 Ca 0.00 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 2gb4 h MET 71 Cb 0.35 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2gb4 h MET 71 CO 0.00 0.28 -0.46 -0.22 1.06 0.00 0.00 176.91 177.56 2gb4 h LYS 72 N 0.23 0.13 -0.55 1.72 1.63 -1.52 -1.99 116.57 116.22 2gb4 h LYS 72 Ca 0.05 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2gb4 h LYS 72 Cb 0.20 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 2gb4 h LYS 72 CO 0.01 0.57 0.35 -1.49 -3.45 0.00 0.00 179.45 175.43 2gb4 h TRP 73 N 0.11 0.66 -0.23 1.91 6.55 -1.28 0.88 115.95 124.54 2gb4 h TRP 73 Ca 0.01 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.79 2gb4 h TRP 73 Cb 0.86 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.94 2gb4 h TRP 73 CO 0.01 0.40 -0.12 0.74 -1.05 0.00 0.00 178.44 178.42 2gb4 h PHE 74 N 0.70 0.56 -0.86 0.49 0.04 -1.35 -3.06 116.94 113.48 2gb4 h PHE 74 Ca 0.21 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2gb4 h PHE 74 Cb -0.04 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 2gb4 h PHE 74 CO -0.05 0.77 0.44 0.00 -0.60 0.00 0.00 178.31 178.87 2gb4 h ALA 75 N 0.71 1.16 0.00 2.45 0.00 -1.08 -1.57 119.26 120.93 2gb4 h ALA 75 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2gb4 h ALA 75 Cb 0.62 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2gb4 h ALA 75 CO 0.04 0.66 -0.12 -0.44 0.00 0.00 0.00 179.25 179.38 2gb4 h ASP 76 N 1.21 0.00 -0.47 0.00 3.32 -0.79 -1.33 116.42 118.36 2gb4 h ASP 76 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2gb4 h ASP 76 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2gb4 h ASP 76 CO -0.04 0.12 0.00 0.54 -1.72 0.00 0.00 179.24 178.14 2gb4 n ARG 77 N -3.87 2.63 -0.61 3.56 1.74 -0.63 -4.91 116.66 114.58 2gb4 n ARG 77 Ca -0.02 -1.92 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 2gb4 n ARG 77 Cb 0.21 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2gb4 n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gb4 n GLY 78 N 1.04 0.71 3.92 -0.13 0.00 -0.50 -4.76 105.19 105.47 2gb4 n GLY 78 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2gb4 n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gb4 s HIS 79 N -2.15 3.49 -0.15 1.61 3.76 -0.95 -3.64 115.29 117.25 2gb4 s HIS 79 Ca 0.00 0.51 -0.14 0.00 -0.15 0.00 0.00 55.06 55.28 2gb4 s HIS 79 Cb 0.00 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 2gb4 s HIS 79 CO 0.00 0.18 0.32 0.99 -0.85 0.00 0.00 174.74 175.38 2gb4 s THR 80 N -2.14 5.28 -0.08 1.30 2.01 0.95 -4.05 115.64 118.92 2gb4 s THR 80 Ca 0.42 0.61 0.04 0.00 0.31 0.00 0.00 61.69 63.07 2gb4 s THR 80 Cb -0.10 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2gb4 s THR 80 CO 0.32 0.39 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.73 2gb4 s VAL 81 N 0.43 2.30 -0.04 3.82 1.01 0.17 -0.27 120.40 127.83 2gb4 s VAL 81 Ca 0.18 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2gb4 s VAL 81 Cb -0.13 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2gb4 s VAL 81 CO 0.05 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 174.84 2gb4 s VAL 82 N -0.00 1.47 0.21 2.92 1.01 -0.38 -1.14 120.40 124.49 2gb4 s VAL 82 Ca -0.07 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2gb4 s VAL 82 Cb -0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2gb4 s VAL 82 CO 0.05 0.42 -0.05 -0.83 0.00 0.00 0.00 175.10 174.69 2gb4 s GLY 83 N -0.07 1.44 -0.05 4.51 0.00 -0.22 -0.71 107.32 112.22 2gb4 s GLY 83 Ca -0.02 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.04 2gb4 s GLY 83 CO 0.02 -1.67 -0.14 0.54 0.00 0.00 0.00 173.10 171.85 2gb4 s VAL 84 N -3.31 1.19 -0.19 1.40 0.11 -1.14 -0.52 120.40 117.94 2gb4 s VAL 84 Ca 0.25 -0.56 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 2gb4 s VAL 84 Cb 0.04 -1.06 0.08 0.00 -1.53 0.00 0.00 36.38 33.91 2gb4 s VAL 84 CO 0.07 0.36 0.43 -0.70 -3.33 0.00 0.00 175.10 171.92 2gb4 s GLU 85 N 0.32 0.37 0.50 1.54 2.56 -0.13 -1.54 118.70 122.32 2gb4 s GLU 85 Ca -0.08 0.95 0.28 0.00 0.00 0.00 0.00 54.97 56.11 2gb4 s GLU 85 Cb -0.13 0.18 1.23 0.00 2.00 0.00 0.00 34.13 37.42 2gb4 s GLU 85 CO 0.03 -0.21 1.95 0.97 -0.56 0.00 0.00 175.26 177.44 2gb4 h ILE 86 N 5.87 0.43 -3.61 -3.70 6.09 -1.80 -3.12 117.51 117.66 2gb4 h ILE 86 Ca -0.25 -0.78 -0.64 0.00 -1.37 0.00 0.00 64.86 61.82 2gb4 h ILE 86 Cb 1.14 1.56 -0.15 0.00 0.47 0.00 0.00 36.82 39.85 2gb4 h ILE 86 CO 0.19 0.14 -0.05 -0.55 -3.07 0.00 0.00 178.15 174.81 2gb4 s SER 87 N -6.03 6.34 0.37 2.19 0.15 -1.26 -4.65 113.70 110.80 2gb4 s SER 87 Ca -0.01 0.12 0.11 0.00 0.70 0.00 0.00 55.95 56.88 2gb4 s SER 87 Cb 0.11 -2.27 0.72 0.00 -1.71 0.00 0.00 66.02 62.87 2gb4 s SER 87 CO 0.59 -0.42 1.84 -0.08 1.20 0.00 0.00 173.24 176.37 2gb4 h GLU 88 N 8.34 0.07 -0.40 5.44 4.81 -1.98 -2.15 114.58 128.71 2gb4 h GLU 88 Ca -0.28 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2gb4 h GLU 88 Cb 1.13 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2gb4 h GLU 88 CO 0.75 0.39 0.25 0.82 -0.73 0.00 0.00 179.01 180.49 2gb4 h ILE 89 N 0.06 1.08 -0.56 2.32 2.04 -1.97 -0.74 117.51 119.74 2gb4 h ILE 89 Ca 0.01 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 2gb4 h ILE 89 Cb 0.61 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2gb4 h ILE 89 CO 0.04 0.09 0.13 1.23 0.00 0.00 0.00 178.15 179.65 2gb4 h GLY 90 N 0.52 0.97 0.98 5.37 0.00 -1.84 -0.42 103.07 108.65 2gb4 h GLY 90 Ca 0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2gb4 h GLY 90 CO -0.05 0.57 0.24 -2.22 0.00 0.00 0.00 176.54 175.08 2gb4 h ILE 91 N 0.80 1.15 -0.08 2.60 2.04 -1.16 -0.28 117.51 122.57 2gb4 h ILE 91 Ca 0.17 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2gb4 h ILE 91 Cb 0.35 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2gb4 h ILE 91 CO 0.00 0.15 -0.35 0.03 0.00 0.00 0.00 178.15 177.99 2gb4 h ARG 92 N 0.56 0.17 -0.37 2.37 3.08 -0.95 -2.29 114.38 116.94 2gb4 h ARG 92 Ca 0.15 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2gb4 h ARG 92 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2gb4 h ARG 92 CO -0.03 0.50 -0.14 0.93 -1.07 0.00 0.00 179.97 180.16 2gb4 h GLU 93 N 0.15 0.67 -0.10 0.04 5.08 -0.54 -2.02 114.58 117.85 2gb4 h GLU 93 Ca 0.02 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2gb4 h GLU 93 Cb 0.69 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2gb4 h GLU 93 CO 0.05 0.79 -0.10 0.35 -1.00 0.00 0.00 179.01 179.10 2gb4 h PHE 94 N 0.61 -0.24 -0.41 4.33 3.57 -0.48 0.85 116.94 125.17 2gb4 h PHE 94 Ca 0.10 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 2gb4 h PHE 94 Cb 0.59 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2gb4 h PHE 94 CO 0.03 -0.15 -0.23 0.74 -2.23 0.00 0.00 178.31 176.47 2gb4 h PHE 95 N -0.12 0.95 -0.22 0.41 0.04 -1.36 0.68 116.94 117.33 2gb4 h PHE 95 Ca 0.07 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 2gb4 h PHE 95 Cb 0.22 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2gb4 h PHE 95 CO -0.21 0.98 0.11 0.00 -0.60 0.00 0.00 178.31 178.59 2gb4 h ALA 96 N 1.01 0.28 -0.22 2.45 0.00 -1.14 -1.35 119.26 120.29 2gb4 h ALA 96 Ca 0.10 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2gb4 h ALA 96 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2gb4 h ALA 96 CO 0.06 -0.18 -0.34 0.93 0.00 0.00 0.00 179.25 179.73 2gb4 h GLU 97 N 0.23 0.47 -0.20 0.00 5.08 -0.54 -2.56 114.58 117.07 2gb4 h GLU 97 Ca 0.08 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2gb4 h GLU 97 Cb 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2gb4 h GLU 97 CO -0.01 0.75 0.00 1.04 -1.00 0.00 0.00 179.01 179.79 2gb4 n GLN 98 N -4.07 1.75 -3.59 2.33 1.13 0.21 -4.94 117.38 110.20 2gb4 n GLN 98 Ca -0.01 -1.13 -0.21 0.00 -1.94 0.00 0.00 57.00 53.71 2gb4 n GLN 98 Cb 0.46 -1.38 0.07 0.00 0.11 0.00 0.00 30.24 29.50 2gb4 n GLN 98 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2gb4 n ASN 99 N 0.36 -3.26 -4.33 1.08 5.15 -0.60 -5.02 115.26 108.64 2gb4 n ASN 99 Ca 0.15 -0.66 -0.32 0.00 -0.60 0.00 0.00 54.58 53.15 2gb4 n ASN 99 Cb 0.33 -4.73 -0.15 0.00 -0.53 0.00 0.00 39.78 34.69 2gb4 n ASN 99 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2gb4 s LEU 100 N -6.78 2.32 0.61 1.20 1.43 -0.67 -5.05 118.68 111.75 2gb4 s LEU 100 Ca 0.23 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 2gb4 s LEU 100 Cb -0.10 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2gb4 s LEU 100 CO 0.76 0.25 1.03 -0.44 0.23 0.00 0.00 176.35 178.18 2gb4 s SER 101 N -0.16 5.98 0.07 2.29 0.01 -1.26 -4.58 113.70 116.04 2gb4 s SER 101 Ca -0.03 1.61 -0.19 0.00 1.31 0.00 0.00 55.95 58.65 2gb4 s SER 101 Cb -0.14 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.63 2gb4 s SER 101 CO 0.04 -1.03 0.44 -0.72 0.41 0.00 0.00 173.24 172.37 2gb4 s TYR 102 N -2.83 -0.30 0.29 2.43 1.13 -1.26 -1.69 117.35 115.12 2gb4 s TYR 102 Ca 0.59 0.20 0.06 0.00 -1.41 0.00 0.00 57.07 56.51 2gb4 s TYR 102 Cb -0.13 0.27 -0.02 0.00 -1.10 0.00 0.00 41.96 40.98 2gb4 s TYR 102 CO 0.45 -0.63 0.41 0.95 -2.51 0.00 0.00 175.55 174.21 2gb4 s THR 103 N -2.85 4.55 -0.03 -3.49 -4.23 0.20 -4.90 115.64 104.89 2gb4 s THR 103 Ca -0.03 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 2gb4 s THR 103 Cb -0.00 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2gb4 s THR 103 CO -0.05 -0.24 -0.10 -0.70 -0.54 0.00 0.00 174.62 172.99 2gb4 s GLU 104 N -4.07 1.07 -0.01 3.99 2.12 -1.26 -1.37 118.70 119.17 2gb4 s GLU 104 Ca 0.40 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.39 2gb4 s GLU 104 Cb -0.09 -0.99 0.00 0.00 0.26 0.00 0.00 34.13 33.32 2gb4 s GLU 104 CO 0.30 0.14 -0.04 -1.21 -0.54 0.00 0.00 175.26 173.91 2gb4 s GLU 105 N 0.15 0.39 0.59 4.30 8.01 -0.26 -4.98 118.70 126.90 2gb4 s GLU 105 Ca -0.03 -0.12 -0.17 0.00 0.01 0.00 0.00 54.97 54.66 2gb4 s GLU 105 Cb -0.09 -0.41 -0.03 0.00 -4.31 0.00 0.00 34.13 29.29 2gb4 s GLU 105 CO 0.01 0.05 1.11 -1.25 0.01 0.00 0.00 175.26 175.19 2gb4 s PRO 106 N 0.13 3.13 -0.40 0.39 0.04 -1.26 -0.45 135.00 136.59 2gb4 s PRO 106 Ca -0.01 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 2gb4 s PRO 106 Cb -0.04 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2gb4 s PRO 106 CO -0.00 -1.00 0.28 -0.51 0.04 0.00 0.00 177.00 175.80 2gb4 s LEU 107 N -4.27 4.97 0.41 -3.56 1.43 -0.80 -4.77 118.68 112.08 2gb4 s LEU 107 Ca 0.70 -0.87 0.20 0.00 -1.03 0.00 0.00 54.13 53.14 2gb4 s LEU 107 Cb -0.22 -2.13 0.85 0.00 0.03 0.00 0.00 46.19 44.72 2gb4 s LEU 107 CO 0.33 -0.41 1.81 0.00 0.23 0.00 0.00 176.35 178.31 2gb4 h ALA 108 N 8.58 1.08 -0.00 4.21 0.00 -1.95 -2.88 119.26 128.30 2gb4 h ALA 108 Ca -0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2gb4 h ALA 108 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2gb4 h ALA 108 CO 0.71 0.38 -0.21 0.39 0.00 0.00 0.00 179.25 180.52 2gb4 n GLU 109 N -3.57 0.17 -3.75 0.00 4.71 -1.26 -4.74 120.64 112.19 2gb4 n GLU 109 Ca -0.01 -0.06 -0.26 0.00 -0.01 0.00 0.00 57.16 56.83 2gb4 n GLU 109 Cb 0.44 -1.50 -0.17 0.00 -1.01 0.00 0.00 31.44 29.20 2gb4 n GLU 109 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2gb4 s ILE 110 N -2.87 0.47 -0.04 -3.67 1.01 -1.09 -4.95 121.20 110.06 2gb4 s ILE 110 Ca 0.16 -0.31 -0.34 0.00 0.00 0.00 0.00 60.65 60.17 2gb4 s ILE 110 Cb 0.19 -0.85 -0.12 0.00 0.01 0.00 0.00 42.46 41.69 2gb4 s ILE 110 CO 0.58 -0.03 1.83 0.00 0.00 0.00 0.00 174.94 177.31 2gb4 n ALA 111 N 5.09 1.01 0.00 9.38 0.00 -1.26 -1.32 120.51 133.40 2gb4 n ALA 111 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2gb4 n ALA 111 Cb 0.48 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2gb4 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gb4 n GLY 112 N 4.23 1.96 3.91 0.00 0.00 -1.26 -5.01 105.19 109.02 2gb4 n GLY 112 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2gb4 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gb4 s ALA 113 N -2.62 3.08 0.04 4.61 0.00 -0.44 -4.97 121.76 121.46 2gb4 s ALA 113 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 2gb4 s ALA 113 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 2gb4 s ALA 113 CO 0.00 -1.19 0.10 0.15 0.00 0.00 0.00 175.76 174.83 2gb4 s LYS 114 N -5.24 0.60 -0.04 0.00 1.02 -1.14 -1.91 119.74 113.02 2gb4 s LYS 114 Ca 0.58 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.87 2gb4 s LYS 114 Cb -0.11 0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 37.43 2gb4 s LYS 114 CO 0.47 -0.15 -0.17 0.54 -0.92 0.00 0.00 175.35 175.11 2gb4 s VAL 115 N -2.60 1.43 -0.20 3.17 0.11 0.40 -0.24 120.40 122.48 2gb4 s VAL 115 Ca -0.05 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.26 2gb4 s VAL 115 Cb -0.01 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 2gb4 s VAL 115 CO -0.04 0.41 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.67 2gb4 s PHE 116 N 0.03 2.89 -0.03 1.54 0.08 -0.32 -1.10 117.98 121.07 2gb4 s PHE 116 Ca -0.04 -1.24 0.05 0.00 0.12 0.00 0.00 56.93 55.82 2gb4 s PHE 116 Cb -0.11 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 2gb4 s PHE 116 CO 0.02 -0.66 -0.18 0.15 -0.10 0.00 0.00 175.22 174.45 2gb4 s LYS 117 N 1.40 1.73 0.87 0.44 1.02 -0.47 -0.27 119.74 124.46 2gb4 s LYS 117 Ca 0.05 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.28 2gb4 s LYS 117 Cb -0.14 -1.55 0.09 0.00 -0.52 0.00 0.00 37.83 35.71 2gb4 s LYS 117 CO -0.07 0.30 0.95 -1.13 -0.92 0.00 0.00 175.35 174.47 2gb4 n SER 118 N 2.98 -0.11 0.25 2.83 3.41 0.77 -0.62 113.62 123.13 2gb4 n SER 118 Ca -0.17 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.00 2gb4 n SER 118 Cb 0.53 -1.41 0.65 0.00 -0.26 0.00 0.00 64.21 63.72 2gb4 n SER 118 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2gb4 h SER 119 N -1.38 0.00 -0.43 4.04 0.02 -1.67 -0.43 113.55 113.70 2gb4 h SER 119 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2gb4 h SER 119 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2gb4 h SER 119 CO 0.41 0.11 0.00 -1.20 -1.14 0.00 0.00 176.83 175.01 2gb4 n SER 120 N -4.09 3.68 0.00 3.07 7.64 -1.26 -4.99 113.62 117.66 2gb4 n SER 120 Ca -0.02 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.50 2gb4 n SER 120 Cb 0.20 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2gb4 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gb4 n GLY 121 N 0.50 0.74 0.30 0.23 0.00 -0.17 -4.94 105.19 101.85 2gb4 n GLY 121 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 2gb4 n GLY 121 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gb4 h SER 122 N 0.00 0.47 -3.25 1.61 0.02 -1.92 -3.42 113.55 107.06 2gb4 h SER 122 Ca 0.00 -0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.40 2gb4 h SER 122 Cb 0.00 -0.12 -0.36 0.00 0.14 0.00 0.00 62.40 62.06 2gb4 h SER 122 CO 0.00 0.37 -0.81 -0.63 -1.14 0.00 0.00 176.83 174.62 2gb4 s ILE 123 N -5.43 1.10 -0.18 3.27 1.01 -1.26 -0.65 121.20 119.07 2gb4 s ILE 123 Ca -0.08 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2gb4 s ILE 123 Cb 0.17 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.59 2gb4 s ILE 123 CO 0.74 0.37 -0.14 -0.44 0.00 0.00 0.00 174.94 175.47 2gb4 s SER 124 N 1.36 3.09 -0.27 3.58 0.01 -0.29 -0.16 113.70 121.03 2gb4 s SER 124 Ca -0.01 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 56.52 2gb4 s SER 124 Cb -0.14 -1.27 0.02 0.00 0.21 0.00 0.00 66.02 64.85 2gb4 s SER 124 CO -0.05 -0.08 -0.01 -0.76 0.41 0.00 0.00 173.24 172.75 2gb4 s LEU 125 N 1.40 3.45 -0.13 2.44 1.43 0.63 -1.05 118.68 126.85 2gb4 s LEU 125 Ca 0.02 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 52.03 2gb4 s LEU 125 Cb -0.14 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2gb4 s LEU 125 CO -0.10 -0.16 0.76 -0.31 0.23 0.00 0.00 176.35 176.77 2gb4 s TYR 126 N 1.37 3.48 -0.74 0.29 1.51 0.32 -1.17 117.35 122.41 2gb4 s TYR 126 Ca 0.00 1.22 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 2gb4 s TYR 126 Cb -0.17 -2.91 0.18 0.00 -0.11 0.00 0.00 41.96 38.95 2gb4 s TYR 126 CO -0.02 -0.10 0.72 0.00 -1.11 0.00 0.00 175.55 175.04 2gb4 s SER 129 N -3.28 7.21 0.56 0.00 0.15 -1.26 -3.15 113.70 113.93 2gb4 s SER 129 Ca 0.19 2.16 0.25 0.00 0.70 0.00 0.00 55.95 59.26 2gb4 s SER 129 Cb 0.01 -2.61 1.56 0.00 -1.71 0.00 0.00 66.02 63.26 2gb4 s SER 129 CO -0.00 -0.18 2.13 -0.29 1.20 0.00 0.00 173.24 176.10 2gb4 h ILE 130 N 2.88 0.65 0.00 6.45 2.10 -1.96 -0.74 117.51 126.89 2gb4 h ILE 130 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 2gb4 h ILE 130 Cb 1.21 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 2gb4 h ILE 130 CO 0.66 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 178.22 2gb4 n PHE 131 N -4.07 0.65 0.11 2.19 3.72 -1.26 -2.53 117.46 116.26 2gb4 n PHE 131 Ca 0.01 0.23 0.10 0.00 -0.05 0.00 0.00 57.45 57.74 2gb4 n PHE 131 Cb 0.27 -0.88 -0.15 0.00 -0.94 0.00 0.00 39.48 37.78 2gb4 n PHE 131 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gb4 n ASP 132 N -2.07 0.56 -0.24 4.37 8.00 -0.36 -4.66 116.55 122.14 2gb4 n ASP 132 Ca 0.04 -0.12 0.17 0.00 0.71 0.00 0.00 54.79 55.58 2gb4 n ASP 132 Cb 0.28 1.78 0.47 0.00 -0.02 0.00 0.00 41.12 43.64 2gb4 n ASP 132 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2gb4 h LEU 133 N 0.00 0.48 -1.99 0.64 5.85 -1.05 -2.16 115.31 117.07 2gb4 h LEU 133 Ca 0.00 0.04 0.28 0.00 0.84 0.00 0.00 57.88 59.04 2gb4 h LEU 133 Cb 0.84 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2gb4 h LEU 133 CO 0.00 0.21 0.69 -0.65 -0.34 0.00 0.00 178.44 178.35 2gb4 h PRO 134 N 0.48 0.01 0.00 5.25 0.11 -1.83 0.29 132.00 136.31 2gb4 h PRO 134 Ca 0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2gb4 h PRO 134 Cb 1.02 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2gb4 h PRO 134 CO -0.19 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.15 2gb4 n ARG 135 N -4.25 0.08 0.00 1.05 1.74 -0.81 -3.05 116.66 111.41 2gb4 n ARG 135 Ca 0.20 0.25 0.14 0.00 -0.77 0.00 0.00 57.85 57.67 2gb4 n ARG 135 Cb 1.02 -1.63 0.64 0.00 -1.02 0.00 0.00 32.46 31.47 2gb4 n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gb4 n ALA 136 N -1.60 2.68 -3.28 7.54 0.00 0.09 -4.80 120.51 121.14 2gb4 n ALA 136 Ca 0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2gb4 n ALA 136 Cb 0.24 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.34 2gb4 n ALA 136 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gb4 n ASN 137 N -1.14 -6.81 -1.23 0.00 4.13 -1.17 -4.94 115.26 104.10 2gb4 n ASN 137 Ca 0.13 -0.50 0.11 0.00 1.68 0.00 0.00 54.58 56.00 2gb4 n ASN 137 Cb 0.27 -4.70 0.28 0.00 -1.54 0.00 0.00 39.78 34.09 2gb4 n ASN 137 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2gb4 n ILE 138 N -2.69 0.85 -4.40 2.41 -5.35 -1.26 -5.08 119.36 103.84 2gb4 n ILE 138 Ca -0.06 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.49 2gb4 n ILE 138 Cb 0.57 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 2gb4 n ILE 138 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gb4 n GLY 139 N 1.50 -0.52 3.42 3.28 0.00 -1.26 -4.93 105.19 106.68 2gb4 n GLY 139 Ca 0.22 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 2gb4 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gb4 s LYS 140 N 0.00 1.53 0.03 1.61 1.02 -1.26 -4.83 119.74 117.84 2gb4 s LYS 140 Ca 0.00 -1.77 0.06 0.00 0.02 0.00 0.00 55.97 54.28 2gb4 s LYS 140 Cb 0.00 -1.14 -0.02 0.00 -0.52 0.00 0.00 37.83 36.15 2gb4 s LYS 140 CO 0.00 0.04 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.23 2gb4 s PHE 141 N -3.02 1.58 0.03 3.18 0.40 0.21 -4.87 117.98 115.50 2gb4 s PHE 141 Ca 0.29 -0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.37 2gb4 s PHE 141 Cb 0.03 -0.95 -0.11 0.00 0.51 0.00 0.00 43.02 42.50 2gb4 s PHE 141 CO 0.12 0.05 1.34 -0.44 0.70 0.00 0.00 175.22 176.99 2gb4 h ASP 142 N 5.05 0.00 -4.01 1.36 3.32 -1.34 -2.00 116.42 118.79 2gb4 h ASP 142 Ca -0.40 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.45 2gb4 h ASP 142 Cb 1.16 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.45 2gb4 h ASP 142 CO 0.45 0.83 -0.66 -0.13 -1.72 0.00 0.00 179.24 178.01 2gb4 s ARG 143 N -2.81 0.12 -0.06 3.56 1.81 -1.01 -2.00 118.95 118.56 2gb4 s ARG 143 Ca 0.02 -0.06 0.02 0.00 -1.72 0.00 0.00 55.73 53.99 2gb4 s ARG 143 Cb 0.09 0.05 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 2gb4 s ARG 143 CO 0.79 -0.02 -0.11 0.42 -0.68 0.00 0.00 175.30 175.71 2gb4 s ILE 144 N -0.29 1.00 -0.26 1.52 1.01 -0.72 -1.02 121.20 122.46 2gb4 s ILE 144 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 2gb4 s ILE 144 Cb -0.02 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 2gb4 s ILE 144 CO 0.00 0.33 0.03 0.86 0.00 0.00 0.00 174.94 176.15 2gb4 s TRP 145 N 0.70 3.07 -0.32 3.97 -0.11 -0.83 -1.65 118.94 123.77 2gb4 s TRP 145 Ca -0.14 -0.90 0.02 0.00 1.22 0.00 0.00 56.10 56.30 2gb4 s TRP 145 Cb -0.15 -2.19 0.09 0.00 -1.50 0.00 0.00 33.47 29.72 2gb4 s TRP 145 CO 0.03 -0.54 0.05 0.34 -4.62 0.00 0.00 176.95 172.21 2gb4 s ASP 146 N 1.50 4.45 -0.03 5.86 -1.08 -0.12 -4.02 116.67 123.23 2gb4 s ASP 146 Ca 0.04 -1.88 -0.02 0.00 -0.52 0.00 0.00 52.55 50.18 2gb4 s ASP 146 Cb -0.16 -1.36 0.02 0.00 -1.46 0.00 0.00 42.92 39.96 2gb4 s ASP 146 CO 0.00 -0.37 0.07 -0.60 0.52 0.00 0.00 175.17 174.80 2gb4 s ARG 147 N 1.17 0.05 -1.32 4.34 3.00 -1.26 -0.95 118.95 123.97 2gb4 s ARG 147 Ca 0.08 0.17 -0.02 0.00 -1.00 0.00 0.00 55.73 54.96 2gb4 s ARG 147 Cb -0.19 -0.08 0.01 0.00 0.00 0.00 0.00 34.95 34.69 2gb4 s ARG 147 CO -0.13 -0.08 0.19 0.41 0.00 0.00 0.00 175.30 175.69 2gb4 n GLY 148 N 3.59 -0.50 0.46 8.12 0.00 -1.26 -4.84 105.19 110.75 2gb4 n GLY 148 Ca -0.19 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2gb4 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gb4 n ALA 149 N -2.63 2.37 -0.33 4.61 0.00 -1.26 -4.32 120.51 118.95 2gb4 n ALA 149 Ca -0.14 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.45 2gb4 n ALA 149 Cb 0.62 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.43 2gb4 n ALA 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gb4 h LEU 150 N 0.00 0.70 0.00 0.00 5.85 -1.88 0.30 115.31 120.28 2gb4 h LEU 150 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2gb4 h LEU 150 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2gb4 h LEU 150 CO 0.00 0.26 0.00 1.33 -0.34 0.00 0.00 178.44 179.69 2gb4 n VAL 151 N -4.70 0.21 0.01 1.05 0.24 -1.26 -3.11 118.33 110.77 2gb4 n VAL 151 Ca 0.22 0.05 -0.01 0.00 -2.04 0.00 0.00 64.34 62.57 2gb4 n VAL 151 Cb 0.60 -0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 2gb4 n VAL 151 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gb4 n ALA 152 N -1.46 1.92 -1.78 2.33 0.00 0.97 -0.23 120.51 122.26 2gb4 n ALA 152 Ca 0.07 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 2gb4 n ALA 152 Cb 0.29 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 2gb4 n ALA 152 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gb4 s ILE 153 N -2.90 2.04 0.34 0.00 -1.09 -0.78 -4.86 121.20 113.96 2gb4 s ILE 153 Ca -0.04 0.04 -0.29 0.00 -2.23 0.00 0.00 60.65 58.13 2gb4 s ILE 153 Cb 0.09 -3.03 -0.12 0.00 -1.58 0.00 0.00 42.46 37.83 2gb4 s ILE 153 CO 0.82 0.01 1.48 0.59 -1.23 0.00 0.00 174.94 176.61 2gb4 n ASN 154 N 0.82 3.58 -0.28 3.58 3.02 -1.26 -4.86 115.26 119.86 2gb4 n ASN 154 Ca 0.02 1.20 0.20 0.00 -0.03 0.00 0.00 54.58 55.97 2gb4 n ASN 154 Cb 0.39 -1.58 0.50 0.00 -0.61 0.00 0.00 39.78 38.48 2gb4 n ASN 154 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2gb4 h PRO 155 N 3.48 0.42 0.00 3.52 0.11 -1.83 0.49 132.00 138.18 2gb4 h PRO 155 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2gb4 h PRO 155 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2gb4 h PRO 155 CO 0.69 0.28 0.00 0.78 -0.21 0.00 0.00 178.00 179.53 2gb4 h GLY 156 N 0.43 0.00 -2.06 -0.55 0.00 -1.83 -2.05 103.07 97.01 2gb4 h GLY 156 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2gb4 h GLY 156 CO -0.23 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.53 2gb4 n ASP 157 N -2.59 3.15 -0.27 0.19 8.00 0.16 -4.59 116.55 120.59 2gb4 n ASP 157 Ca 0.00 -1.95 -0.05 0.00 0.71 0.00 0.00 54.79 53.50 2gb4 n ASP 157 Cb 0.20 -0.23 0.06 0.00 -0.02 0.00 0.00 41.12 41.13 2gb4 n ASP 157 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2gb4 h HIS 158 N 4.08 1.03 -0.29 1.24 3.86 -1.36 -1.10 115.15 122.60 2gb4 h HIS 158 Ca 0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2gb4 h HIS 158 Cb 0.90 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2gb4 h HIS 158 CO 0.23 0.73 0.15 -0.44 0.86 0.00 0.00 177.93 179.45 2gb4 h ASP 159 N 1.03 0.38 -0.79 2.45 3.32 -1.83 -0.50 116.42 120.48 2gb4 h ASP 159 Ca 0.26 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2gb4 h ASP 159 Cb 0.05 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2gb4 h ASP 159 CO -0.04 0.39 0.42 0.03 -1.72 0.00 0.00 179.24 178.32 2gb4 h ARG 160 N 0.34 1.10 0.07 3.56 3.08 -1.82 -1.03 114.38 119.69 2gb4 h ARG 160 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2gb4 h ARG 160 Cb 0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2gb4 h ARG 160 CO -0.01 0.83 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.73 2gb4 h TYR 161 N 1.09 -0.17 -0.88 3.04 3.20 -0.97 -1.68 116.97 120.61 2gb4 h TYR 161 Ca 0.28 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.15 2gb4 h TYR 161 Cb 0.05 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 2gb4 h TYR 161 CO 0.00 -0.10 0.58 0.00 -1.64 0.00 0.00 178.16 177.00 2gb4 h ALA 162 N 0.77 1.12 -0.25 1.82 0.00 -0.90 -1.16 119.26 120.66 2gb4 h ALA 162 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2gb4 h ALA 162 Cb 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2gb4 h ALA 162 CO -0.01 0.53 -0.20 -0.44 0.00 0.00 0.00 179.25 179.13 2gb4 h ASP 163 N 1.20 0.44 -0.25 0.00 5.19 -1.03 0.72 116.42 122.69 2gb4 h ASP 163 Ca 0.32 -0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 2gb4 h ASP 163 Cb -0.13 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 2gb4 h ASP 163 CO -0.07 0.65 0.02 0.40 -3.12 0.00 0.00 179.24 177.12 2gb4 h ILE 164 N 0.41 1.24 -0.49 0.35 2.04 -0.71 -1.17 117.51 119.18 2gb4 h ILE 164 Ca 0.07 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.12 2gb4 h ILE 164 Cb 0.58 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2gb4 h ILE 164 CO 0.04 0.27 0.26 0.40 0.00 0.00 0.00 178.15 179.11 2gb4 h ILE 165 N 0.23 0.98 -0.68 -0.67 1.08 -0.97 -1.89 117.51 115.59 2gb4 h ILE 165 Ca 0.07 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 2gb4 h ILE 165 Cb 0.37 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 2gb4 h ILE 165 CO 0.01 0.09 0.45 -0.07 -0.69 0.00 0.00 178.15 177.94 2gb4 h LEU 166 N 0.51 0.68 -0.40 1.44 3.38 -0.80 -1.87 115.31 118.25 2gb4 h LEU 166 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2gb4 h LEU 166 Cb 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2gb4 h LEU 166 CO -0.13 0.46 0.00 -1.54 0.09 0.00 0.00 178.44 177.32 2gb4 n SER 167 N -4.46 0.42 -0.95 -0.43 3.41 -0.45 -2.81 113.62 108.34 2gb4 n SER 167 Ca 0.09 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2gb4 n SER 167 Cb 0.15 -0.69 0.15 0.00 -0.26 0.00 0.00 64.21 63.56 2gb4 n SER 167 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gb4 n LEU 168 N -1.96 2.95 -4.76 1.04 4.77 -0.71 -4.92 117.00 113.43 2gb4 n LEU 168 Ca 0.03 -1.03 -0.37 0.00 -0.03 0.00 0.00 56.01 54.60 2gb4 n LEU 168 Cb 0.22 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2gb4 n LEU 168 CO 0.18 0.52 0.08 -0.76 -1.33 0.00 0.00 177.39 176.08 2gb4 s LEU 169 N -1.92 4.31 1.14 2.23 1.43 -1.12 -0.62 118.68 124.12 2gb4 s LEU 169 Ca 0.30 0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 53.96 2gb4 s LEU 169 Cb 0.20 -2.53 0.25 0.00 0.03 0.00 0.00 46.19 44.14 2gb4 s LEU 169 CO 0.30 0.12 1.10 -0.13 0.23 0.00 0.00 176.35 177.98 2gb4 s ARG 170 N 0.12 -0.68 0.30 1.70 0.52 -0.75 -4.80 118.95 115.36 2gb4 s ARG 170 Ca 0.22 0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.60 2gb4 s ARG 170 Cb -0.15 -1.64 0.48 0.00 0.52 0.00 0.00 34.95 34.16 2gb4 s ARG 170 CO 0.08 -3.39 1.75 0.87 0.02 0.00 0.00 175.30 174.63 2gb4 h LYS 171 N -2.36 0.38 -5.80 3.54 6.56 -1.99 -3.39 116.57 113.53 2gb4 h LYS 171 Ca -0.49 -0.14 -0.67 0.00 -1.06 0.00 0.00 60.65 58.29 2gb4 h LYS 171 Cb 1.31 -0.02 -0.20 0.00 -0.57 0.00 0.00 32.23 32.75 2gb4 h LYS 171 CO 0.43 0.63 -0.68 -1.21 -2.06 0.00 0.00 179.45 176.56 2gb4 s GLU 172 N -4.45 3.13 0.21 3.15 2.02 -1.26 -4.74 118.70 116.77 2gb4 s GLU 172 Ca -0.06 -0.52 -0.23 0.00 0.02 0.00 0.00 54.97 54.18 2gb4 s GLU 172 Cb 0.14 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.68 2gb4 s GLU 172 CO 0.78 0.51 0.72 -0.59 0.02 0.00 0.00 175.26 176.70 2gb4 s PHE 173 N -0.38 -0.30 -0.06 1.61 -0.71 -1.26 -4.76 117.98 112.13 2gb4 s PHE 173 Ca 0.06 -0.05 0.02 0.00 -1.04 0.00 0.00 56.93 55.92 2gb4 s PHE 173 Cb -0.12 0.65 0.02 0.00 -1.21 0.00 0.00 43.02 42.35 2gb4 s PHE 173 CO 0.02 -1.03 -0.09 -0.65 -1.34 0.00 0.00 175.22 172.13 2gb4 s GLN 174 N -3.75 1.37 -0.23 1.99 -0.21 -0.85 -4.22 119.66 113.76 2gb4 s GLN 174 Ca 0.08 -0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 2gb4 s GLN 174 Cb -0.04 -1.20 0.07 0.00 1.00 0.00 0.00 33.01 32.85 2gb4 s GLN 174 CO -0.01 -0.02 0.04 -0.47 -2.12 0.00 0.00 175.29 172.72 2gb4 s TYR 175 N 0.79 1.26 -0.20 0.91 5.04 -0.11 -1.75 117.35 123.29 2gb4 s TYR 175 Ca -0.13 -1.13 -0.13 0.00 -2.44 0.00 0.00 57.07 53.25 2gb4 s TYR 175 Cb -0.15 -1.22 -0.05 0.00 0.35 0.00 0.00 41.96 40.90 2gb4 s TYR 175 CO 0.02 -0.69 0.25 -0.51 -1.34 0.00 0.00 175.55 173.28 2gb4 s LEU 176 N 1.78 4.18 -0.04 6.97 1.43 -0.66 0.02 118.68 132.36 2gb4 s LEU 176 Ca 0.01 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2gb4 s LEU 176 Cb -0.17 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.79 2gb4 s LEU 176 CO -0.13 0.06 -0.04 0.54 0.23 0.00 0.00 176.35 177.01 2gb4 s VAL 177 N 0.85 0.46 -0.23 -1.59 0.11 -0.56 -0.94 120.40 118.50 2gb4 s VAL 177 Ca 0.13 -0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.02 2gb4 s VAL 177 Cb -0.13 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2gb4 s VAL 177 CO 0.04 0.20 0.06 0.00 -3.33 0.00 0.00 175.10 172.07 2gb4 s ALA 178 N 0.83 3.19 0.37 1.54 0.00 -0.12 -1.34 121.76 126.23 2gb4 s ALA 178 Ca -0.10 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.89 2gb4 s ALA 178 Cb -0.13 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 2gb4 s ALA 178 CO -0.00 -0.29 0.01 0.14 0.00 0.00 0.00 175.76 175.62 2gb4 s VAL 179 N 1.25 1.75 -0.08 0.00 -7.23 -0.29 -4.52 120.40 111.27 2gb4 s VAL 179 Ca 0.05 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 2gb4 s VAL 179 Cb -0.15 -2.88 0.01 0.00 0.56 0.00 0.00 36.38 33.93 2gb4 s VAL 179 CO 0.03 -0.03 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.88 2gb4 s LEU 180 N -3.62 1.74 -0.24 1.32 1.43 -1.26 -0.78 118.68 117.27 2gb4 s LEU 180 Ca 0.35 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 2gb4 s LEU 180 Cb 0.09 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2gb4 s LEU 180 CO 0.17 0.05 0.15 -0.55 0.23 0.00 0.00 176.35 176.40 2gb4 s SER 181 N 0.72 6.03 0.33 2.29 0.15 0.12 -4.20 113.70 119.13 2gb4 s SER 181 Ca -0.13 0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.45 2gb4 s SER 181 Cb -0.16 -2.09 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 2gb4 s SER 181 CO 0.03 0.06 0.68 -0.72 1.20 0.00 0.00 173.24 174.49 2gb4 s TYR 182 N 1.11 0.17 -0.50 3.44 1.13 -1.26 -1.18 117.35 120.25 2gb4 s TYR 182 Ca 0.07 -0.68 -0.27 0.00 -1.41 0.00 0.00 57.07 54.79 2gb4 s TYR 182 Cb -0.14 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.35 2gb4 s TYR 182 CO 0.05 -1.33 1.04 0.34 -2.51 0.00 0.00 175.55 173.14 2gb4 s ASP 183 N -3.03 6.50 0.00 -0.18 2.15 -1.26 -4.91 116.67 115.93 2gb4 s ASP 183 Ca 0.17 0.15 0.23 0.00 0.43 0.00 0.00 52.55 53.53 2gb4 s ASP 183 Cb -0.04 -2.50 1.07 0.00 -0.30 0.00 0.00 42.92 41.15 2gb4 s ASP 183 CO 0.11 -1.22 1.76 -0.81 -0.17 0.00 0.00 175.17 174.84 2gb4 n PRO 184 N 7.66 0.13 0.02 4.34 -0.04 -1.26 -1.13 135.00 144.72 2gb4 n PRO 184 Ca 0.08 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2gb4 n PRO 184 Cb 0.49 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.93 2gb4 n PRO 184 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2gb4 n THR 185 N -1.42 0.46 0.06 0.52 -2.24 -1.26 -3.31 114.28 107.09 2gb4 n THR 185 Ca 0.08 0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 2gb4 n THR 185 Cb 0.24 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 2gb4 n THR 185 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2gb4 n LYS 186 N -1.65 0.62 -3.80 -0.78 4.76 -0.29 -4.94 118.16 112.08 2gb4 n LYS 186 Ca 0.05 0.12 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 2gb4 n LYS 186 Cb 0.29 -1.78 -0.10 0.00 -1.84 0.00 0.00 35.03 31.59 2gb4 n LYS 186 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2gb4 s HIS 187 N -3.21 -0.19 -0.01 2.13 2.46 -1.21 -4.73 115.29 110.52 2gb4 s HIS 187 Ca -0.02 0.42 -0.17 0.00 0.47 0.00 0.00 55.06 55.76 2gb4 s HIS 187 Cb 0.10 0.07 -0.09 0.00 -0.13 0.00 0.00 32.58 32.52 2gb4 s HIS 187 CO 0.81 -0.23 0.78 0.00 -2.47 0.00 0.00 174.74 173.63 2gb4 h ALA 188 N 4.97 -0.69 0.00 1.58 0.00 -1.92 -3.44 119.26 119.75 2gb4 h ALA 188 Ca -0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2gb4 h ALA 188 Cb 1.19 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2gb4 h ALA 188 CO 0.37 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2gb4 n GLY 189 N 0.02 2.56 3.77 0.00 0.00 -1.26 -4.74 105.19 105.55 2gb4 n GLY 189 Ca -0.08 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 2gb4 n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gb4 s PRO 190 N -4.13 2.95 0.04 1.61 0.04 -1.26 -4.86 135.00 129.38 2gb4 s PRO 190 Ca 0.00 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 2gb4 s PRO 190 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2gb4 s PRO 190 CO 0.00 -1.14 1.07 -1.25 0.04 0.00 0.00 177.00 175.72 2gb4 s PRO 191 N -3.93 4.51 0.75 0.56 0.04 -1.26 -5.11 135.00 130.57 2gb4 s PRO 191 Ca 0.68 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2gb4 s PRO 191 Cb -0.21 -3.40 0.04 0.00 0.04 0.00 0.00 34.50 30.97 2gb4 s PRO 191 CO 0.38 -0.12 1.10 -0.06 0.04 0.00 0.00 177.00 178.34 2gb4 s PHE 192 N 0.95 2.58 -0.24 0.56 0.08 0.68 -5.00 117.98 117.60 2gb4 s PHE 192 Ca 0.54 1.56 -0.27 0.00 0.12 0.00 0.00 56.93 58.88 2gb4 s PHE 192 Cb -0.25 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 2gb4 s PHE 192 CO 0.29 -1.78 0.94 -0.47 -0.10 0.00 0.00 175.22 174.10 2gb4 s TYR 193 N -2.76 3.33 -0.39 0.36 5.04 -1.26 -4.74 117.35 116.92 2gb4 s TYR 193 Ca 0.63 1.31 0.02 0.00 -2.44 0.00 0.00 57.07 56.59 2gb4 s TYR 193 Cb -0.18 -3.17 0.12 0.00 0.35 0.00 0.00 41.96 39.08 2gb4 s TYR 193 CO 0.53 -0.44 0.17 0.08 -1.34 0.00 0.00 175.55 174.54 2gb4 s VAL 194 N 3.03 1.52 0.75 3.14 1.01 -1.26 -5.03 120.40 123.57 2gb4 s VAL 194 Ca 0.40 -2.27 -0.11 0.00 0.00 0.00 0.00 61.98 59.99 2gb4 s VAL 194 Cb -0.15 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.18 2gb4 s VAL 194 CO 0.07 -0.77 1.09 -2.16 0.00 0.00 0.00 175.10 173.33 2gb4 s PRO 195 N 0.74 2.45 0.30 2.72 0.04 -1.26 -4.60 135.00 135.39 2gb4 s PRO 195 Ca 0.14 0.62 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2gb4 s PRO 195 Cb -0.22 -1.96 0.76 0.00 0.04 0.00 0.00 34.50 33.12 2gb4 s PRO 195 CO -0.08 -1.36 1.64 1.03 0.04 0.00 0.00 177.00 178.26 2gb4 h SER 196 N -0.90 0.01 -0.31 6.66 0.87 -1.99 0.33 113.55 118.21 2gb4 h SER 196 Ca -0.46 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2gb4 h SER 196 Cb 1.26 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.47 2gb4 h SER 196 CO 0.60 -0.18 0.18 0.00 -0.53 0.00 0.00 176.83 176.90 2gb4 h ALA 197 N 1.81 1.68 -0.10 6.23 0.00 -1.99 0.24 119.26 127.13 2gb4 h ALA 197 Ca 0.58 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.25 2gb4 h ALA 197 Cb 1.20 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2gb4 h ALA 197 CO -0.68 0.27 -0.65 1.49 0.00 0.00 0.00 179.25 179.69 2gb4 h GLU 198 N 0.47 0.62 -0.84 0.00 4.57 -1.31 -0.34 114.58 117.75 2gb4 h GLU 198 Ca 0.12 -0.53 0.13 0.00 -1.18 0.00 0.00 59.36 57.91 2gb4 h GLU 198 Cb 0.03 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 28.65 2gb4 h GLU 198 CO -0.02 1.15 0.44 -0.07 -1.18 0.00 0.00 179.01 179.33 2gb4 h LEU 199 N 0.26 0.55 -0.38 1.64 4.07 -1.05 0.14 115.31 120.54 2gb4 h LEU 199 Ca -0.05 0.08 -0.17 0.00 0.08 0.00 0.00 57.88 57.82 2gb4 h LEU 199 Cb 1.29 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 2gb4 h LEU 199 CO 0.13 0.25 -0.48 0.50 -1.08 0.00 0.00 178.44 177.76 2gb4 h LYS 200 N 0.65 0.84 -0.81 1.13 3.64 -0.78 -1.56 116.57 119.68 2gb4 h LYS 200 Ca 0.45 -0.49 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2gb4 h LYS 200 Cb 0.59 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2gb4 h LYS 200 CO -0.34 1.13 0.52 -0.09 -2.27 0.00 0.00 179.45 178.40 2gb4 h ARG 201 N 0.66 0.98 -0.02 1.90 2.43 -0.32 -1.30 114.38 118.71 2gb4 h ARG 201 Ca 0.03 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 58.89 2gb4 h ARG 201 Cb 1.07 -0.22 0.02 0.00 -0.42 0.00 0.00 29.97 30.42 2gb4 h ARG 201 CO 0.11 0.65 -0.99 -0.07 -1.51 0.00 0.00 179.97 178.16 2gb4 h LEU 202 N 1.01 0.85 0.00 3.80 3.38 -0.57 -3.41 115.31 120.37 2gb4 h LEU 202 Ca 0.32 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2gb4 h LEU 202 Cb 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2gb4 h LEU 202 CO -0.11 1.46 -0.16 0.49 0.09 0.00 0.00 178.44 180.21 2gb4 n PHE 203 N -3.85 0.00 0.30 1.13 3.72 -0.60 -4.85 117.46 113.30 2gb4 n PHE 203 Ca -0.10 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.48 2gb4 n PHE 203 Cb 0.85 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 40.16 2gb4 n PHE 203 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2gb4 h GLY 204 N 0.00 0.00 2.00 1.37 0.00 -1.33 0.65 103.07 105.76 2gb4 h GLY 204 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2gb4 h GLY 204 CO 0.00 0.00 -0.34 -0.84 0.00 0.00 0.00 176.54 175.36 2gb4 h THR 205 N 0.00 0.62 -0.00 4.70 2.02 -1.89 -3.31 112.91 115.05 2gb4 h THR 205 Ca 0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2gb4 h THR 205 Cb 0.39 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2gb4 h THR 205 CO 0.00 0.33 -0.25 0.29 0.37 0.00 0.00 175.52 176.26 2gb4 n LYS 206 N -3.24 3.25 -4.53 6.66 5.02 -0.85 -4.96 118.16 119.51 2gb4 n LYS 206 Ca 0.02 -0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 55.81 2gb4 n LYS 206 Cb 0.62 -0.94 -0.15 0.00 -0.02 0.00 0.00 35.03 34.54 2gb4 n LYS 206 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gb4 s SER 208 N -0.36 6.33 -0.02 0.00 0.01 0.88 -4.40 113.70 116.14 2gb4 s SER 208 Ca 0.04 2.14 0.01 0.00 1.31 0.00 0.00 55.95 59.46 2gb4 s SER 208 Cb -0.05 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.60 2gb4 s SER 208 CO -0.00 -0.80 -0.04 -0.04 0.41 0.00 0.00 173.24 172.77 2gb4 s MET 209 N -2.79 0.53 -0.06 12.44 1.00 -1.26 -1.67 119.30 127.49 2gb4 s MET 209 Ca 0.63 -0.10 0.01 0.00 0.00 0.00 0.00 55.69 56.23 2gb4 s MET 209 Cb -0.24 -0.57 0.02 0.00 0.00 0.00 0.00 34.83 34.05 2gb4 s MET 209 CO 0.29 -0.01 -0.05 -1.14 0.00 0.00 0.00 175.02 174.11 2gb4 s GLN 210 N 0.48 0.97 -0.06 2.03 0.74 -0.54 -5.00 119.66 118.29 2gb4 s GLN 210 Ca -0.05 -0.13 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 2gb4 s GLN 210 Cb -0.09 -0.99 -0.03 0.00 1.10 0.00 0.00 33.01 33.00 2gb4 s GLN 210 CO -0.00 -0.11 1.16 0.00 -0.55 0.00 0.00 175.29 175.79 2gb4 n LEU 212 N 5.05 0.88 -3.63 0.00 4.77 0.48 -4.95 117.00 119.61 2gb4 n LEU 212 Ca 0.10 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2gb4 n LEU 212 Cb 0.47 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 2gb4 n LEU 212 CO 0.55 0.51 0.25 -1.61 -1.33 0.00 0.00 177.39 175.75 2gb4 s GLU 213 N -2.55 0.89 -0.17 3.23 0.41 -1.11 -4.98 118.70 114.42 2gb4 s GLU 213 Ca -0.10 0.03 -0.05 0.00 -0.41 0.00 0.00 54.97 54.44 2gb4 s GLU 213 Cb 0.07 0.41 0.06 0.00 -1.78 0.00 0.00 34.13 32.89 2gb4 s GLU 213 CO 0.81 -0.27 0.09 -2.00 -0.49 0.00 0.00 175.26 173.39 2gb4 s GLU 214 N -1.35 0.09 0.07 1.61 2.12 -1.26 -1.85 118.70 118.12 2gb4 s GLU 214 Ca -0.12 -0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.20 2gb4 s GLU 214 Cb -0.02 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 2gb4 s GLU 214 CO 0.07 -0.66 -0.19 0.08 -0.54 0.00 0.00 175.26 174.02 2gb4 s VAL 215 N 2.13 1.55 0.05 3.70 1.01 0.12 -4.93 120.40 124.03 2gb4 s VAL 215 Ca 0.02 -1.29 -0.31 0.00 0.00 0.00 0.00 61.98 60.40 2gb4 s VAL 215 Cb -0.16 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 2gb4 s VAL 215 CO -0.09 0.05 1.26 -0.62 0.00 0.00 0.00 175.10 175.70 2gb4 s ASP 216 N -1.47 7.00 0.00 3.32 2.15 -1.26 0.31 116.67 126.71 2gb4 s ASP 216 Ca 0.05 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.10 2gb4 s ASP 216 Cb -0.09 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2gb4 s ASP 216 CO 0.03 -0.55 0.70 0.00 -0.17 0.00 0.00 175.17 175.18 2gb4 n ALA 217 N 4.22 1.99 -2.02 3.66 0.00 -0.37 -4.86 120.51 123.13 2gb4 n ALA 217 Ca 0.10 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 2gb4 n ALA 217 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 2gb4 n ALA 217 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2gb4 s LEU 218 N -0.46 4.09 -0.05 0.00 0.20 -1.15 -4.91 118.68 116.40 2gb4 s LEU 218 Ca 0.00 1.96 -0.00 0.00 0.69 0.00 0.00 54.13 56.78 2gb4 s LEU 218 Cb 0.00 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 2gb4 s LEU 218 CO 0.00 -1.14 -0.00 -1.61 -0.29 0.00 0.00 176.35 173.31 2gb4 s GLU 219 N 4.47 2.89 0.53 1.98 2.02 -1.26 -5.02 118.70 124.31 2gb4 s GLU 219 Ca 0.75 -0.51 0.35 0.00 0.02 0.00 0.00 54.97 55.58 2gb4 s GLU 219 Cb -0.30 -2.73 1.52 0.00 0.10 0.00 0.00 34.13 32.72 2gb4 s GLU 219 CO 0.30 0.67 1.81 1.05 0.02 0.00 0.00 175.26 179.11 2gb4 h GLU 220 N 4.77 0.02 -0.68 1.61 -0.00 -1.98 1.46 114.58 119.78 2gb4 h GLU 220 Ca -0.50 -0.00 0.20 0.00 -0.00 0.00 0.00 59.36 59.06 2gb4 h GLU 220 Cb 1.18 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.90 2gb4 h GLU 220 CO 0.56 0.02 0.69 0.07 -0.00 0.00 0.00 179.01 180.35 2gb4 h ARG 221 N 0.03 0.00 0.00 1.06 -0.00 -1.98 1.50 114.38 114.98 2gb4 h ARG 221 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.53 2gb4 h ARG 221 Cb 2.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 32.13 2gb4 h ARG 221 CO -0.03 0.00 0.00 0.72 -0.00 0.00 0.00 179.97 180.66 2gb4 n HIS 222 N -3.67 0.00 0.18 4.08 8.25 0.50 -4.21 115.22 120.35 2gb4 n HIS 222 Ca 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2gb4 n HIS 222 Cb 0.94 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 2gb4 n HIS 222 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2gb4 h LYS 223 N 0.00 -0.45 0.00 -0.41 1.57 0.21 -2.69 116.57 114.80 2gb4 h LYS 223 Ca 0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2gb4 h LYS 223 Cb 0.30 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2gb4 h LYS 223 CO 0.00 -0.30 -0.06 0.00 -0.57 0.00 0.00 179.45 178.53 2gb4 h ALA 224 N -1.76 1.20 -0.94 3.86 0.00 -1.76 0.11 119.26 119.97 2gb4 h ALA 224 Ca -0.05 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.01 2gb4 h ALA 224 Cb 0.35 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2gb4 h ALA 224 CO 0.08 0.07 0.61 -1.49 0.00 0.00 0.00 179.25 178.52 2gb4 h TRP 225 N 0.00 0.71 0.00 0.00 4.06 -1.67 -3.45 115.95 115.60 2gb4 h TRP 225 Ca -0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2gb4 h TRP 225 Cb 0.24 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2gb4 h TRP 225 CO 0.00 0.18 0.00 0.41 -3.56 0.00 0.00 178.44 175.47 2gb4 n GLY 226 N -1.46 1.95 3.70 1.49 0.00 0.40 -4.74 105.19 106.53 2gb4 n GLY 226 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2gb4 n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gb4 s LEU 227 N 0.00 4.33 -0.02 0.99 1.43 -1.04 -4.93 118.68 119.44 2gb4 s LEU 227 Ca 0.00 1.93 0.08 0.00 -1.03 0.00 0.00 54.13 55.11 2gb4 s LEU 227 Cb 0.00 -3.57 0.21 0.00 0.03 0.00 0.00 46.19 42.87 2gb4 s LEU 227 CO 0.00 -0.51 1.17 -0.90 0.23 0.00 0.00 176.35 176.34 2gb4 n ASP 228 N 4.47 2.65 -3.78 2.29 5.75 -1.26 -4.47 116.55 122.19 2gb4 n ASP 228 Ca 0.10 -2.14 -0.13 0.00 -0.01 0.00 0.00 54.79 52.61 2gb4 n ASP 228 Cb 0.46 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.27 2gb4 n ASP 228 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2gb4 s TYR 229 N -1.25 -0.19 -0.25 2.11 -0.85 -1.26 -5.11 117.35 110.54 2gb4 s TYR 229 Ca 0.17 0.38 -0.07 0.00 -0.52 0.00 0.00 57.07 57.03 2gb4 s TYR 229 Cb 0.10 0.08 0.12 0.00 0.38 0.00 0.00 41.96 42.64 2gb4 s TYR 229 CO 0.09 -0.29 0.52 -1.17 -1.52 0.00 0.00 175.55 173.18 2gb4 s LEU 230 N -0.82 -0.92 0.03 -3.49 2.96 -1.26 -4.58 118.68 110.60 2gb4 s LEU 230 Ca -0.09 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.02 2gb4 s LEU 230 Cb -0.05 1.79 -0.02 0.00 0.50 0.00 0.00 46.19 48.41 2gb4 s LEU 230 CO 0.02 -0.24 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.28 2gb4 s PHE 231 N 2.75 1.58 -0.13 5.38 0.08 -0.33 -1.24 117.98 126.07 2gb4 s PHE 231 Ca 0.00 -0.35 -0.14 0.00 0.12 0.00 0.00 56.93 56.57 2gb4 s PHE 231 Cb -0.13 -0.96 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 2gb4 s PHE 231 CO -0.16 0.05 0.31 -2.00 -0.10 0.00 0.00 175.22 173.32 2gb4 s GLU 232 N -0.99 4.14 -0.04 0.44 2.12 0.15 0.16 118.70 124.69 2gb4 s GLU 232 Ca 0.06 0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.60 2gb4 s GLU 232 Cb -0.08 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 2gb4 s GLU 232 CO 0.01 0.35 -0.24 0.15 -0.54 0.00 0.00 175.26 174.99 2gb4 s LYS 233 N 0.12 2.22 -0.17 4.30 1.02 0.04 -0.70 119.74 126.57 2gb4 s LYS 233 Ca 0.18 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 2gb4 s LYS 233 Cb -0.14 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 2gb4 s LYS 233 CO 0.06 0.43 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.64 2gb4 s LEU 234 N -0.32 2.70 -0.00 3.17 2.96 -0.77 -1.14 118.68 125.27 2gb4 s LEU 234 Ca 0.02 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 2gb4 s LEU 234 Cb -0.12 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2gb4 s LEU 234 CO 0.02 0.08 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.63 2gb4 s TYR 235 N 0.89 2.56 -0.24 5.38 1.51 -0.45 -0.39 117.35 126.62 2gb4 s TYR 235 Ca -0.03 -0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.73 2gb4 s TYR 235 Cb -0.15 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2gb4 s TYR 235 CO -0.00 0.17 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.43 2gb4 s LEU 236 N -1.01 3.11 -0.11 -1.29 2.96 0.18 -1.50 118.68 121.02 2gb4 s LEU 236 Ca 0.12 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 2gb4 s LEU 236 Cb -0.10 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2gb4 s LEU 236 CO 0.02 -0.05 0.00 -0.76 -1.32 0.00 0.00 176.35 174.25 2gb4 s LEU 237 N 1.50 3.56 0.25 -0.68 1.02 0.10 -1.46 118.68 122.97 2gb4 s LEU 237 Ca 0.05 0.09 -0.04 0.00 0.02 0.00 0.00 54.13 54.25 2gb4 s LEU 237 Cb -0.15 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 2gb4 s LEU 237 CO -0.02 0.32 0.31 0.42 0.02 0.00 0.00 176.35 177.40 2gb4 s THR 238 N -0.51 0.00 0.46 5.49 -4.23 -0.67 -0.93 115.64 115.26 2gb4 s THR 238 Ca 0.09 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.60 2gb4 s THR 238 Cb -0.12 -2.43 -0.08 0.00 1.34 0.00 0.00 72.50 71.21 2gb4 s THR 238 CO 0.02 0.00 1.42 -1.83 -0.54 0.00 0.00 174.62 173.69 2gb4 s GLU 239 N -3.87 3.61 0.00 3.99 1.03 -1.26 -0.08 118.70 122.12 2gb4 s GLU 239 Ca 0.33 2.40 0.10 0.00 0.03 0.00 0.00 54.97 57.82 2gb4 s GLU 239 Cb 0.03 -2.60 0.58 0.00 -0.80 0.00 0.00 34.13 31.34 2gb4 s GLU 239 CO 0.14 -0.87 1.03 1.63 -1.33 0.00 0.00 175.26 175.85