#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gb4 n GLU 12 N 0.00 0.04 -0.11 0.00 1.02 -1.26 -4.56 120.64 115.78 2gb4 n GLU 12 Ca 0.00 -0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 2gb4 n GLU 12 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.04 0.73 -0.37 2.62 2.07 -2.00 -1.90 116.25 117.43 2gb4 h VAL 13 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2gb4 h VAL 13 Cb 0.49 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2gb4 h VAL 13 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2gb4 n GLN 14 N -5.18 2.02 -0.31 1.57 6.02 -1.26 -4.61 117.38 115.62 2gb4 n GLN 14 Ca 0.02 -1.40 0.11 0.00 -0.01 0.00 0.00 57.00 55.71 2gb4 n GLN 14 Cb 0.19 -1.37 0.33 0.00 1.02 0.00 0.00 30.24 30.40 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 2.20 0.78 -0.67 -1.09 2.10 -1.62 -0.53 116.57 117.73 2gb4 h LYS 15 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2gb4 h LYS 15 Cb 0.60 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2gb4 h LYS 15 CO 0.03 0.51 0.00 0.09 -2.00 0.00 0.00 179.45 178.09 2gb4 n ASN 16 N -4.61 4.44 -4.76 7.07 5.03 -1.26 -3.73 115.26 117.45 2gb4 n ASN 16 Ca 0.19 -2.29 -0.40 0.00 0.87 0.00 0.00 54.58 52.96 2gb4 n ASN 16 Cb 0.46 -0.54 -0.06 0.00 -1.02 0.00 0.00 39.78 38.62 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 -1.54 4.77 0.06 3.52 -0.21 -0.21 -5.06 119.66 120.99 2gb4 s GLN 17 Ca 0.50 1.39 0.02 0.00 0.02 0.00 0.00 55.36 57.29 2gb4 s GLN 17 Cb 0.30 -3.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.00 2gb4 s GLN 17 CO 0.27 0.53 -0.07 0.08 -2.12 0.00 0.00 175.29 173.98 2gb4 s VAL 18 N -1.14 0.54 -0.05 1.09 1.01 -1.26 -4.21 120.40 116.37 2gb4 s VAL 18 Ca 0.40 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2gb4 s VAL 18 Cb -0.25 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2gb4 s VAL 18 CO 0.30 -0.57 -0.08 -0.22 0.00 0.00 0.00 175.10 174.53 2gb4 s LEU 19 N -2.09 1.48 0.64 3.92 2.96 -1.26 -4.99 118.68 119.35 2gb4 s LEU 19 Ca -0.03 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2gb4 s LEU 19 Cb -0.04 -0.62 0.06 0.00 0.50 0.00 0.00 46.19 46.08 2gb4 s LEU 19 CO -0.02 -0.01 0.91 0.42 -1.32 0.00 0.00 176.35 176.32 2gb4 s THR 20 N 0.79 2.44 0.27 3.68 -4.23 -1.26 -4.84 115.64 112.48 2gb4 s THR 20 Ca -0.13 -0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2gb4 s THR 20 Cb -0.15 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 70.96 2gb4 s THR 20 CO 0.02 0.00 1.90 -0.07 -0.54 0.00 0.00 174.62 175.92 2gb4 h LEU 21 N -0.30 0.99 -0.76 4.79 3.38 -2.01 -1.39 115.31 120.01 2gb4 h LEU 21 Ca -0.42 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.34 2gb4 h LEU 21 Cb 1.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2gb4 h LEU 21 CO 0.54 0.79 -0.49 -0.33 0.09 0.00 0.00 178.44 179.03 2gb4 h GLU 22 N 1.12 0.32 -0.57 1.13 4.39 -1.99 -1.30 114.58 117.67 2gb4 h GLU 22 Ca 0.28 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2gb4 h GLU 22 Cb 0.01 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2gb4 h GLU 22 CO -0.05 0.74 0.37 -0.44 -1.16 0.00 0.00 179.01 178.47 2gb4 h ASP 23 N 0.25 0.62 -0.45 1.42 3.32 -1.71 -0.69 116.42 119.18 2gb4 h ASP 23 Ca 0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2gb4 h ASP 23 Cb 0.96 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 2gb4 h ASP 23 CO 0.08 0.44 0.15 -0.50 -1.72 0.00 0.00 179.24 177.69 2gb4 h TRP 24 N 0.74 0.71 -1.00 4.55 4.06 -1.05 -1.10 115.95 122.87 2gb4 h TRP 24 Ca 0.22 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 61.12 2gb4 h TRP 24 Cb -0.05 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 27.85 2gb4 h TRP 24 CO -0.04 0.63 0.66 0.87 -3.56 0.00 0.00 178.44 177.00 2gb4 h LYS 25 N 0.58 1.28 -0.15 0.49 1.57 -1.07 -2.37 116.57 116.90 2gb4 h LYS 25 Ca 0.15 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2gb4 h LYS 25 Cb 0.25 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2gb4 h LYS 25 CO -0.01 0.85 -0.34 1.49 -0.57 0.00 0.00 179.45 180.87 2gb4 h GLU 26 N 1.32 0.30 -0.60 3.15 4.81 -0.81 -1.61 114.58 121.14 2gb4 h GLU 26 Ca 0.38 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2gb4 h GLU 26 Cb -0.10 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 2gb4 h GLU 26 CO -0.10 0.61 0.34 0.87 -0.73 0.00 0.00 179.01 180.01 2gb4 h LYS 27 N 0.26 0.63 -0.43 1.92 1.57 -0.69 -0.61 116.57 119.23 2gb4 h LYS 27 Ca 0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2gb4 h LYS 27 Cb 0.73 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2gb4 h LYS 27 CO 0.06 0.42 -0.02 -1.49 -0.57 0.00 0.00 179.45 177.85 2gb4 h TRP 28 N 0.65 0.84 -0.59 -1.35 4.06 -1.16 0.41 115.95 118.81 2gb4 h TRP 28 Ca 0.26 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 61.09 2gb4 h TRP 28 Cb 0.12 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.02 2gb4 h TRP 28 CO -0.08 0.84 0.34 0.28 -3.56 0.00 0.00 178.44 176.26 2gb4 h VAL 29 N 0.60 1.04 -0.01 1.49 2.07 -1.04 -3.03 116.25 117.36 2gb4 h VAL 29 Ca 0.12 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2gb4 h VAL 29 Cb 0.51 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2gb4 h VAL 29 CO 0.03 0.12 -0.12 0.35 0.02 0.00 0.00 177.57 177.96 2gb4 n THR 30 N -4.77 0.00 -2.13 2.57 -2.24 -0.26 -4.95 114.28 102.50 2gb4 n THR 30 Ca 0.05 -0.20 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 2gb4 n THR 30 Cb 0.10 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.19 -0.45 -2.95 -0.78 5.12 -0.05 -4.99 116.66 112.37 2gb4 n ARG 31 Ca 0.16 0.22 -0.44 0.00 -1.93 0.00 0.00 57.85 55.85 2gb4 n ARG 31 Cb 0.36 -3.92 0.00 0.00 -1.16 0.00 0.00 32.46 27.74 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 -3.94 4.88 -2.64 -1.55 8.25 -0.12 -4.80 115.22 115.31 2gb4 n HIS 32 Ca -0.05 -3.37 -0.14 0.00 -0.26 0.00 0.00 57.72 53.90 2gb4 n HIS 32 Cb 0.54 -2.14 0.02 0.00 1.12 0.00 0.00 29.99 29.53 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 4.36 1.33 0.21 1.59 -5.35 -1.26 -4.62 119.36 115.62 2gb4 n ILE 33 Ca 0.36 -3.61 0.04 0.00 -0.27 0.00 0.00 62.75 59.27 2gb4 n ILE 33 Cb 0.42 0.12 0.20 0.00 -1.74 0.00 0.00 39.64 38.64 2gb4 n ILE 33 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2gb4 n SER 34 N -0.16 0.10 0.30 7.28 3.41 -1.26 -1.85 113.62 121.43 2gb4 n SER 34 Ca 0.17 0.54 0.19 0.00 -0.26 0.00 0.00 58.87 59.51 2gb4 n SER 34 Cb 0.77 -0.55 0.86 0.00 -0.26 0.00 0.00 64.21 65.02 2gb4 n SER 34 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2gb4 h PHE 35 N 0.00 0.00 -3.46 7.33 -5.15 -2.02 -3.45 116.94 110.19 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 0.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.28 2gb4 h PHE 35 CO 0.00 0.00 0.48 -1.58 -2.00 0.00 0.00 178.31 175.21 2gb4 s HIS 36 N -3.82 3.58 -0.47 6.09 2.46 -0.77 -5.00 115.29 117.36 2gb4 s HIS 36 Ca -0.01 1.55 -0.09 0.00 0.47 0.00 0.00 55.06 56.98 2gb4 s HIS 36 Cb 0.10 -3.28 0.12 0.00 -0.13 0.00 0.00 32.58 29.39 2gb4 s HIS 36 CO 0.49 -0.66 0.34 -0.65 -2.47 0.00 0.00 174.74 171.80 2gb4 s GLN 37 N 0.12 2.49 0.46 2.88 -0.21 -1.26 -4.96 119.66 119.18 2gb4 s GLN 37 Ca 0.52 -1.74 0.13 0.00 0.02 0.00 0.00 55.36 54.29 2gb4 s GLN 37 Cb -0.28 -3.92 1.08 0.00 1.00 0.00 0.00 33.01 30.89 2gb4 s GLN 37 CO 0.33 -1.18 2.06 0.93 -2.12 0.00 0.00 175.29 175.31 2gb4 h GLU 38 N 8.45 0.28 -0.17 2.91 3.07 -2.00 -0.06 114.58 127.07 2gb4 h GLU 38 Ca -0.21 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2gb4 h GLU 38 Cb 1.07 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2gb4 h GLU 38 CO 0.86 0.19 0.00 1.04 -1.40 0.00 0.00 179.01 179.69 2gb4 n GLN 39 N -4.48 2.34 0.00 2.33 1.13 -1.26 -5.02 117.38 112.42 2gb4 n GLN 39 Ca 0.04 -1.98 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 2gb4 n GLN 39 Cb 0.21 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.08 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 1.39 -1.87 3.69 1.08 0.00 -0.04 -4.89 105.19 104.56 2gb4 n GLY 40 Ca 0.16 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.71 3.18 -0.21 1.61 2.46 -1.26 -4.90 115.29 113.46 2gb4 s HIS 41 Ca 0.00 1.15 0.18 0.00 0.47 0.00 0.00 55.06 56.86 2gb4 s HIS 41 Cb 0.00 -3.47 0.06 0.00 -0.13 0.00 0.00 32.58 29.04 2gb4 s HIS 41 CO 0.00 -1.55 1.27 1.96 -2.47 0.00 0.00 174.74 173.95 2gb4 h GLN 42 N 7.36 0.00 -0.07 2.88 1.08 -1.99 -1.80 115.11 122.57 2gb4 h GLN 42 Ca -0.37 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.62 2gb4 h GLN 42 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2gb4 h GLN 42 CO 0.87 0.28 -0.84 -0.07 -0.95 0.00 0.00 178.83 178.12 2gb4 h LEU 43 N 0.00 0.68 -0.79 1.46 3.38 -1.99 0.20 115.31 118.25 2gb4 h LEU 43 Ca -0.04 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.49 2gb4 h LEU 43 Cb 1.30 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2gb4 h LEU 43 CO 0.04 1.26 0.50 0.25 0.09 0.00 0.00 178.44 180.58 2gb4 h LEU 44 N 0.35 0.81 0.37 1.67 5.85 -1.97 -1.53 115.31 120.87 2gb4 h LEU 44 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2gb4 h LEU 44 Cb 1.45 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2gb4 h LEU 44 CO 0.15 0.55 -0.38 0.50 -0.34 0.00 0.00 178.44 178.92 2gb4 h LYS 45 N 0.95 -0.75 -1.04 1.25 3.64 -0.74 0.45 116.57 120.34 2gb4 h LYS 45 Ca 0.33 0.05 0.27 0.00 -1.27 0.00 0.00 60.65 60.03 2gb4 h LYS 45 Cb 0.06 0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 31.93 2gb4 h LYS 45 CO -0.13 -0.50 0.63 -0.22 -2.27 0.00 0.00 179.45 176.97 2gb4 h LYS 46 N -0.77 0.44 -0.13 1.90 3.64 -0.77 -1.97 116.57 118.91 2gb4 h LYS 46 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2gb4 h LYS 46 Cb 0.70 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2gb4 h LYS 46 CO -0.07 0.29 0.00 0.72 -2.27 0.00 0.00 179.45 178.12 2gb4 n HIS 47 N -4.80 0.14 -0.08 1.91 8.25 -0.59 -4.63 115.22 115.42 2gb4 n HIS 47 Ca 0.28 -0.10 -0.07 0.00 -0.26 0.00 0.00 57.72 57.57 2gb4 n HIS 47 Cb 0.87 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 3.43 0.00 -0.78 2.41 5.85 0.68 -1.70 115.31 125.21 2gb4 h LEU 48 Ca 0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2gb4 h LEU 48 Cb 0.76 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2gb4 h LEU 48 CO 0.00 0.04 0.44 0.44 -0.34 0.00 0.00 178.44 179.02 2gb4 h ASP 49 N 0.16 0.96 -0.53 1.25 3.32 -1.82 -1.93 116.42 117.83 2gb4 h ASP 49 Ca 0.14 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2gb4 h ASP 49 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2gb4 h ASP 49 CO -0.19 0.76 0.19 0.74 -1.72 0.00 0.00 179.24 179.02 2gb4 h THR 50 N 1.07 1.23 -0.60 0.35 2.02 -1.84 -2.86 112.91 112.28 2gb4 h THR 50 Ca 0.28 -0.73 0.07 0.00 0.77 0.00 0.00 66.41 66.80 2gb4 h THR 50 Cb 0.01 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 2gb4 h THR 50 CO -0.05 0.27 0.40 0.15 0.37 0.00 0.00 175.52 176.66 2gb4 h PHE 51 N 0.72 0.54 -0.10 3.16 3.57 -0.56 0.24 116.94 124.51 2gb4 h PHE 51 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2gb4 h PHE 51 Cb 0.24 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2gb4 h PHE 51 CO 0.01 0.28 0.00 1.28 -2.23 0.00 0.00 178.31 177.65 2gb4 n LEU 52 N -4.48 1.06 0.00 0.59 4.77 -0.92 -4.98 117.00 113.05 2gb4 n LEU 52 Ca 0.09 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2gb4 n LEU 52 Cb 0.28 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2gb4 n LEU 52 CO 0.34 0.22 0.00 2.29 -1.33 0.00 0.00 177.39 178.91 2gb4 n LYS 53 N -0.08 0.00 -0.95 3.23 -0.00 0.86 -1.73 118.16 119.48 2gb4 n LYS 53 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.41 2gb4 n LYS 53 Cb 0.23 0.00 0.17 0.00 -0.00 0.00 0.00 35.03 35.43 2gb4 n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gb4 n GLY 54 N 0.00 5.25 3.93 2.58 0.00 -1.26 -4.85 105.19 110.83 2gb4 n GLY 54 Ca 0.00 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.33 3.50 0.07 1.61 -1.52 -0.71 -5.11 119.66 114.18 2gb4 s GLN 55 Ca 0.44 -0.38 0.09 0.00 -1.95 0.00 0.00 55.36 53.57 2gb4 s GLN 55 Cb 0.40 -2.89 -0.03 0.00 -0.22 0.00 0.00 33.01 30.27 2gb4 s GLN 55 CO -0.02 0.46 -0.25 -1.12 -0.25 0.00 0.00 175.29 174.11 2gb4 s SER 56 N -3.02 3.03 -1.05 5.90 0.01 -1.26 -4.83 113.70 112.47 2gb4 s SER 56 Ca 0.37 -0.62 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 2gb4 s SER 56 Cb -0.11 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2gb4 s SER 56 CO 0.28 0.21 0.90 0.61 0.41 0.00 0.00 173.24 175.65 2gb4 n GLY 57 N 1.52 -0.25 3.81 3.44 0.00 -1.24 -4.99 105.19 107.48 2gb4 n GLY 57 Ca -0.17 0.05 -0.33 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 -5.90 3.67 -0.29 0.99 1.43 -1.26 -4.75 118.68 112.57 2gb4 s LEU 58 Ca 0.24 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2gb4 s LEU 58 Cb -0.11 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 2gb4 s LEU 58 CO 0.60 -0.85 0.24 -0.13 0.23 0.00 0.00 176.35 176.44 2gb4 s ARG 59 N -3.74 3.91 -0.12 1.70 0.52 -1.26 -0.45 118.95 119.51 2gb4 s ARG 59 Ca 0.64 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 2gb4 s ARG 59 Cb -0.14 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.66 2gb4 s ARG 59 CO 0.28 -0.23 -0.23 0.08 0.02 0.00 0.00 175.30 175.22 2gb4 s VAL 60 N 1.83 2.07 -0.10 3.52 1.01 0.66 -1.20 120.40 128.18 2gb4 s VAL 60 Ca 0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2gb4 s VAL 60 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2gb4 s VAL 60 CO 0.11 0.56 -0.03 0.12 0.00 0.00 0.00 175.10 175.85 2gb4 s PHE 61 N 0.52 3.04 -0.50 5.22 5.36 -0.10 -1.45 117.98 130.08 2gb4 s PHE 61 Ca -0.14 -0.03 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 2gb4 s PHE 61 Cb -0.17 -1.82 0.13 0.00 -0.34 0.00 0.00 43.02 40.82 2gb4 s PHE 61 CO 0.05 0.25 0.30 -0.06 -1.46 0.00 0.00 175.22 174.30 2gb4 s PHE 62 N -0.43 3.49 0.42 10.12 0.40 0.21 -1.66 117.98 130.52 2gb4 s PHE 62 Ca 0.07 -2.64 -0.26 0.00 -0.60 0.00 0.00 56.93 53.50 2gb4 s PHE 62 Cb -0.12 -3.16 -0.09 0.00 0.51 0.00 0.00 43.02 40.16 2gb4 s PHE 62 CO 0.02 -0.90 1.37 -1.25 0.70 0.00 0.00 175.22 175.17 2gb4 s PRO 63 N 0.50 3.87 -1.24 0.24 0.04 -1.26 -2.36 135.00 134.79 2gb4 s PRO 63 Ca 0.13 2.31 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 2gb4 s PRO 63 Cb -0.22 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2gb4 s PRO 63 CO -0.04 -0.63 0.77 1.28 0.04 0.00 0.00 177.00 178.42 2gb4 n LEU 64 N 0.04 -3.48 0.17 -3.56 4.32 -0.20 -4.72 117.00 109.56 2gb4 n LEU 64 Ca 0.04 -0.81 0.13 0.00 -0.02 0.00 0.00 56.01 55.35 2gb4 n LEU 64 Cb 0.42 -2.74 0.41 0.00 -1.62 0.00 0.00 43.42 39.89 2gb4 n LEU 64 CO 0.58 0.38 0.88 0.00 -1.22 0.00 0.00 177.39 178.00 2gb4 n GLY 66 N 0.74 3.00 1.42 0.00 0.00 -1.26 -1.50 105.19 107.59 2gb4 n GLY 66 Ca 0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 2.22 -1.60 1.61 2.85 -1.26 -4.54 118.16 131.44 2gb4 n LYS 67 Ca 0.00 -3.39 -0.59 0.00 -1.05 0.00 0.00 58.31 53.28 2gb4 n LYS 67 Cb 0.00 -1.94 -0.09 0.00 -0.65 0.00 0.00 35.03 32.35 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 -1.03 -0.12 0.30 0.58 0.00 -0.56 -4.81 120.51 114.87 2gb4 n ALA 68 Ca 0.38 0.30 0.18 0.00 0.00 0.00 0.00 53.44 54.29 2gb4 n ALA 68 Cb 0.98 -2.20 0.81 0.00 0.00 0.00 0.00 19.45 19.04 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 5.81 0.00 0.00 0.00 3.07 -1.90 -2.40 117.51 122.09 2gb4 h ILE 69 Ca -0.37 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 65.76 2gb4 h ILE 69 Cb 1.35 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2gb4 h ILE 69 CO 1.00 0.00 0.00 -0.33 -1.05 0.00 0.00 178.15 177.77 2gb4 h GLU 70 N 0.00 0.00 -0.97 0.16 3.07 -1.95 -0.91 114.58 113.97 2gb4 h GLU 70 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 2gb4 h GLU 70 Cb 0.31 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.15 2gb4 h GLU 70 CO 0.00 0.00 0.62 0.52 -1.40 0.00 0.00 179.01 178.75 2gb4 h MET 71 N 0.00 1.10 -0.30 2.33 2.86 -1.81 -0.97 114.93 118.14 2gb4 h MET 71 Ca 0.00 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 2gb4 h MET 71 Cb 0.41 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2gb4 h MET 71 CO 0.00 0.73 -0.10 -0.22 1.06 0.00 0.00 176.91 178.37 2gb4 h LYS 72 N 1.13 0.51 -0.38 1.72 1.63 -1.38 -2.10 116.57 117.70 2gb4 h LYS 72 Ca 0.42 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 60.09 2gb4 h LYS 72 Cb 0.16 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2gb4 h LYS 72 CO -0.17 0.61 0.24 -1.49 -3.45 0.00 0.00 179.45 175.18 2gb4 h TRP 73 N 0.47 0.44 -0.34 1.91 6.55 -1.16 -0.93 115.95 122.90 2gb4 h TRP 73 Ca 0.09 0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.86 2gb4 h TRP 73 Cb 0.47 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 2gb4 h TRP 73 CO 0.02 0.27 -0.12 0.74 -1.05 0.00 0.00 178.44 178.29 2gb4 h PHE 74 N 0.48 0.77 -0.75 0.49 0.04 -1.28 -3.13 116.94 113.57 2gb4 h PHE 74 Ca 0.14 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2gb4 h PHE 74 Cb -0.03 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 37.90 2gb4 h PHE 74 CO -0.06 0.87 0.48 0.00 -0.60 0.00 0.00 178.31 179.00 2gb4 h ALA 75 N 0.79 0.95 -0.08 2.45 0.00 -1.08 -2.30 119.26 119.99 2gb4 h ALA 75 Ca 0.08 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2gb4 h ALA 75 Cb 0.64 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2gb4 h ALA 75 CO 0.04 0.39 0.09 -0.44 0.00 0.00 0.00 179.25 179.33 2gb4 h ASP 76 N 1.02 0.00 -0.24 0.00 3.32 -1.15 -1.54 116.42 117.83 2gb4 h ASP 76 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2gb4 h ASP 76 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2gb4 h ASP 76 CO -0.06 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.00 2gb4 n ARG 77 N -3.92 2.19 -0.29 3.56 1.74 -0.91 -4.93 116.66 114.11 2gb4 n ARG 77 Ca -0.01 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.28 2gb4 n ARG 77 Cb 0.19 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 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 1.35 0.84 3.92 -0.13 0.00 -0.58 -4.78 105.19 105.81 2gb4 n GLY 78 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.03 3.48 -0.18 1.61 3.76 -0.95 -3.67 115.29 117.31 2gb4 s HIS 79 Ca 0.00 0.43 -0.15 0.00 -0.15 0.00 0.00 55.06 55.19 2gb4 s HIS 79 Cb 0.00 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2gb4 s HIS 79 CO 0.00 0.33 0.35 0.99 -0.85 0.00 0.00 174.74 175.56 2gb4 s THR 80 N -1.91 5.25 -0.08 1.30 2.01 0.40 -4.09 115.64 118.53 2gb4 s THR 80 Ca 0.40 0.63 0.03 0.00 0.31 0.00 0.00 61.69 63.06 2gb4 s THR 80 Cb -0.11 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2gb4 s THR 80 CO 0.29 0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.67 2gb4 s VAL 81 N 0.92 2.76 -0.05 3.82 1.01 0.12 -0.24 120.40 128.73 2gb4 s VAL 81 Ca 0.18 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2gb4 s VAL 81 Cb -0.14 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2gb4 s VAL 81 CO 0.06 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.92 2gb4 s VAL 82 N -0.23 1.07 0.19 2.92 1.01 -0.53 -1.01 120.40 123.83 2gb4 s VAL 82 Ca -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2gb4 s VAL 82 Cb -0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2gb4 s VAL 82 CO 0.03 0.33 -0.13 -0.83 0.00 0.00 0.00 175.10 174.51 2gb4 s GLY 83 N 0.43 1.35 -0.03 4.51 0.00 -0.26 -0.62 107.32 112.70 2gb4 s GLY 83 Ca -0.09 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.02 2gb4 s GLY 83 CO 0.02 -1.71 -0.08 0.54 0.00 0.00 0.00 173.10 171.87 2gb4 s VAL 84 N -3.08 0.74 -0.21 1.40 0.11 -0.99 -1.03 120.40 117.33 2gb4 s VAL 84 Ca 0.21 -0.33 -0.11 0.00 -2.93 0.00 0.00 61.98 58.83 2gb4 s VAL 84 Cb 0.00 -0.67 0.07 0.00 -1.53 0.00 0.00 36.38 34.26 2gb4 s VAL 84 CO 0.05 0.24 0.50 -0.70 -3.33 0.00 0.00 175.10 171.86 2gb4 s GLU 85 N 0.28 0.47 0.36 1.54 2.56 -0.45 -0.97 118.70 122.49 2gb4 s GLU 85 Ca -0.04 0.97 0.18 0.00 0.00 0.00 0.00 54.97 56.08 2gb4 s GLU 85 Cb -0.09 0.11 0.57 0.00 2.00 0.00 0.00 34.13 36.72 2gb4 s GLU 85 CO 0.01 -0.17 1.68 0.97 -0.56 0.00 0.00 175.26 177.18 2gb4 h ILE 86 N 5.52 0.86 -3.56 -3.70 6.09 -1.82 -2.88 117.51 118.03 2gb4 h ILE 86 Ca -0.31 -1.65 -0.63 0.00 -1.37 0.00 0.00 64.86 60.90 2gb4 h ILE 86 Cb 1.18 2.02 -0.13 0.00 0.47 0.00 0.00 36.82 40.36 2gb4 h ILE 86 CO 0.23 0.39 0.13 -0.55 -3.07 0.00 0.00 178.15 175.28 2gb4 s SER 87 N -6.42 6.44 0.40 2.19 0.15 -1.26 -4.61 113.70 110.59 2gb4 s SER 87 Ca 0.01 0.24 0.10 0.00 0.70 0.00 0.00 55.95 57.00 2gb4 s SER 87 Cb 0.10 -2.32 0.83 0.00 -1.71 0.00 0.00 66.02 62.92 2gb4 s SER 87 CO 0.70 -0.54 1.95 -0.08 1.20 0.00 0.00 173.24 176.47 2gb4 h GLU 88 N 8.36 0.27 -0.45 5.44 4.81 -1.97 -2.22 114.58 128.82 2gb4 h GLU 88 Ca -0.27 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2gb4 h GLU 88 Cb 1.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2gb4 h GLU 88 CO 0.82 0.35 0.19 0.82 -0.73 0.00 0.00 179.01 180.45 2gb4 h ILE 89 N 0.26 1.20 -0.50 2.32 2.04 -1.97 -1.05 117.51 119.80 2gb4 h ILE 89 Ca 0.06 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.38 2gb4 h ILE 89 Cb 0.28 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2gb4 h ILE 89 CO 0.01 0.22 0.24 1.23 0.00 0.00 0.00 178.15 179.85 2gb4 h GLY 90 N 0.58 0.70 0.93 5.37 0.00 -1.83 -0.85 103.07 107.95 2gb4 h GLY 90 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2gb4 h GLY 90 CO -0.01 0.08 0.14 -2.22 0.00 0.00 0.00 176.54 174.53 2gb4 h ILE 91 N 0.46 1.18 -0.27 2.60 2.04 -1.14 -1.36 117.51 121.02 2gb4 h ILE 91 Ca 0.23 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 2gb4 h ILE 91 Cb 0.16 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2gb4 h ILE 91 CO -0.18 0.19 -0.17 0.03 0.00 0.00 0.00 178.15 178.02 2gb4 h ARG 92 N 0.38 0.48 -0.24 2.37 3.08 -1.02 -2.24 114.38 117.19 2gb4 h ARG 92 Ca 0.11 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2gb4 h ARG 92 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2gb4 h ARG 92 CO -0.01 0.64 -0.20 0.93 -1.07 0.00 0.00 179.97 180.26 2gb4 h GLU 93 N 0.44 0.44 0.13 0.04 5.08 -0.82 -1.50 114.58 118.39 2gb4 h GLU 93 Ca 0.08 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2gb4 h GLU 93 Cb 0.56 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2gb4 h GLU 93 CO 0.04 0.62 -0.23 0.35 -1.00 0.00 0.00 179.01 178.79 2gb4 h PHE 94 N 0.40 -0.60 -0.52 4.33 3.57 -0.65 0.55 116.94 124.02 2gb4 h PHE 94 Ca 0.07 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 2gb4 h PHE 94 Cb 0.58 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2gb4 h PHE 94 CO 0.02 -0.33 0.01 0.74 -2.23 0.00 0.00 178.31 176.52 2gb4 h PHE 95 N -0.43 0.94 -0.51 0.41 0.04 -1.26 -0.90 116.94 115.22 2gb4 h PHE 95 Ca 0.02 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 2gb4 h PHE 95 Cb 0.44 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2gb4 h PHE 95 CO -0.20 0.85 0.13 0.00 -0.60 0.00 0.00 178.31 178.48 2gb4 h ALA 96 N 1.19 0.67 -0.04 2.45 0.00 -1.06 -0.63 119.26 121.84 2gb4 h ALA 96 Ca 0.16 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2gb4 h ALA 96 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gb4 h ALA 96 CO 0.02 0.36 -0.56 0.93 0.00 0.00 0.00 179.25 180.01 2gb4 h GLU 97 N 0.71 0.12 -0.07 0.00 5.08 -0.62 -2.16 114.58 117.64 2gb4 h GLU 97 Ca 0.16 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2gb4 h GLU 97 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2gb4 h GLU 97 CO 0.00 0.65 0.00 1.04 -1.00 0.00 0.00 179.01 179.70 2gb4 n GLN 98 N -3.89 1.72 -3.44 2.33 1.13 -0.36 -4.96 117.38 109.90 2gb4 n GLN 98 Ca -0.02 -1.06 -0.17 0.00 -1.94 0.00 0.00 57.00 53.81 2gb4 n GLN 98 Cb 0.57 -1.45 0.08 0.00 0.11 0.00 0.00 30.24 29.55 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 0.28 -2.33 -4.12 1.08 5.15 -0.35 -5.00 115.26 109.96 2gb4 n ASN 99 Ca 0.18 -0.65 -0.24 0.00 -0.60 0.00 0.00 54.58 53.27 2gb4 n ASN 99 Cb 0.36 -5.02 -0.16 0.00 -0.53 0.00 0.00 39.78 34.43 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 -6.32 1.95 0.58 1.20 1.43 -0.58 -5.05 118.68 111.90 2gb4 s LEU 100 Ca 0.04 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2gb4 s LEU 100 Cb -0.01 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2gb4 s LEU 100 CO 0.74 0.16 0.98 -0.44 0.23 0.00 0.00 176.35 178.03 2gb4 s SER 101 N -0.14 6.28 0.06 2.29 0.01 -1.26 -4.54 113.70 116.41 2gb4 s SER 101 Ca 0.01 1.35 -0.21 0.00 1.31 0.00 0.00 55.95 58.42 2gb4 s SER 101 Cb -0.09 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.75 2gb4 s SER 101 CO 0.01 -0.79 0.49 -0.72 0.41 0.00 0.00 173.24 172.64 2gb4 s TYR 102 N -3.04 -0.37 0.31 2.43 1.13 -1.26 -1.95 117.35 114.58 2gb4 s TYR 102 Ca 0.54 0.34 0.07 0.00 -1.41 0.00 0.00 57.07 56.61 2gb4 s TYR 102 Cb -0.11 0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 2gb4 s TYR 102 CO 0.50 -0.65 0.25 0.95 -2.51 0.00 0.00 175.55 174.09 2gb4 s THR 103 N -2.73 3.80 -0.02 -3.49 -4.23 0.96 -4.89 115.64 105.04 2gb4 s THR 103 Ca -0.04 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2gb4 s THR 103 Cb -0.00 -3.24 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 2gb4 s THR 103 CO -0.04 -0.23 -0.13 -0.70 -0.54 0.00 0.00 174.62 172.97 2gb4 s GLU 104 N -3.94 1.22 -0.02 3.99 2.12 -1.26 -1.54 118.70 119.28 2gb4 s GLU 104 Ca 0.38 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 55.20 2gb4 s GLU 104 Cb -0.06 -1.14 0.00 0.00 0.26 0.00 0.00 34.13 33.19 2gb4 s GLU 104 CO 0.26 0.24 0.08 -1.21 -0.54 0.00 0.00 175.26 174.09 2gb4 s GLU 105 N -0.13 0.20 0.72 4.30 2.02 -0.56 -5.00 118.70 120.25 2gb4 s GLU 105 Ca 0.02 -0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.79 2gb4 s GLU 105 Cb -0.07 0.08 0.03 0.00 0.10 0.00 0.00 34.13 34.28 2gb4 s GLU 105 CO 0.00 -0.04 1.17 -1.25 0.02 0.00 0.00 175.26 175.17 2gb4 s PRO 106 N -0.41 2.27 -0.35 0.39 0.04 -1.26 -0.58 135.00 135.10 2gb4 s PRO 106 Ca -0.05 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 2gb4 s PRO 106 Cb -0.03 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.70 2gb4 s PRO 106 CO 0.00 -1.70 0.12 -1.17 0.04 0.00 0.00 177.00 174.29 2gb4 s LEU 107 N -5.19 4.49 0.49 -3.56 0.20 -0.08 -4.68 118.68 110.35 2gb4 s LEU 107 Ca 0.71 -1.34 0.25 0.00 0.69 0.00 0.00 54.13 54.44 2gb4 s LEU 107 Cb -0.26 -1.85 1.24 0.00 -0.43 0.00 0.00 46.19 44.90 2gb4 s LEU 107 CO 0.45 -0.38 1.98 0.00 -0.29 0.00 0.00 176.35 178.12 2gb4 h ALA 108 N 8.18 1.20 0.00 5.97 0.00 -1.95 -2.92 119.26 129.75 2gb4 h ALA 108 Ca -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2gb4 h ALA 108 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2gb4 h ALA 108 CO 0.62 0.21 0.00 0.93 0.00 0.00 0.00 179.25 181.02 2gb4 h GLU 109 N 0.00 0.00 -3.76 0.00 3.07 -1.93 -3.40 114.58 108.55 2gb4 h GLU 109 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 2gb4 h GLU 109 Cb 0.48 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.00 2gb4 h GLU 109 CO 0.02 0.00 -0.77 0.42 -1.40 0.00 0.00 179.01 177.28 2gb4 s ILE 110 N -3.46 0.65 -0.02 3.13 1.01 -1.10 -4.91 121.20 116.50 2gb4 s ILE 110 Ca 0.04 -0.40 -0.36 0.00 0.00 0.00 0.00 60.65 59.92 2gb4 s ILE 110 Cb 0.09 -0.97 -0.15 0.00 0.01 0.00 0.00 42.46 41.43 2gb4 s ILE 110 CO 0.54 0.01 1.60 0.00 0.00 0.00 0.00 174.94 177.09 2gb4 n ALA 111 N 5.02 0.11 -0.38 9.38 0.00 -1.26 -1.43 120.51 131.96 2gb4 n ALA 111 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2gb4 n ALA 111 Cb 0.48 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 3.51 2.02 3.91 0.00 0.00 -1.26 -5.01 105.19 108.36 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 -3.29 3.39 0.03 4.61 0.00 -0.52 -4.98 121.76 121.00 2gb4 s ALA 113 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 2gb4 s ALA 113 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 2gb4 s ALA 113 CO 0.00 -0.48 0.01 0.15 0.00 0.00 0.00 175.76 175.44 2gb4 s LYS 114 N -4.80 0.42 -0.06 0.00 1.02 -1.17 -0.91 119.74 114.25 2gb4 s LYS 114 Ca 0.49 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.82 2gb4 s LYS 114 Cb -0.10 0.16 -0.00 0.00 -0.52 0.00 0.00 37.83 37.36 2gb4 s LYS 114 CO 0.45 -0.08 -0.19 0.54 -0.92 0.00 0.00 175.35 175.14 2gb4 s VAL 115 N -2.03 1.61 -0.24 3.17 0.11 0.25 -0.11 120.40 123.17 2gb4 s VAL 115 Ca -0.10 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.12 2gb4 s VAL 115 Cb -0.05 -1.39 0.01 0.00 -1.53 0.00 0.00 36.38 33.42 2gb4 s VAL 115 CO -0.03 0.46 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.79 2gb4 s PHE 116 N 0.12 3.01 -0.02 1.54 0.40 -0.41 -1.49 117.98 121.12 2gb4 s PHE 116 Ca -0.07 -1.31 0.07 0.00 -0.60 0.00 0.00 56.93 55.02 2gb4 s PHE 116 Cb -0.13 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 2gb4 s PHE 116 CO 0.04 -0.66 -0.25 0.15 0.70 0.00 0.00 175.22 175.20 2gb4 s LYS 117 N 1.39 2.05 0.81 0.44 1.02 -0.59 -0.02 119.74 124.85 2gb4 s LYS 117 Ca 0.03 -0.88 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 2gb4 s LYS 117 Cb -0.16 -1.95 0.09 0.00 -0.52 0.00 0.00 37.83 35.29 2gb4 s LYS 117 CO -0.04 0.51 1.20 -1.54 -0.92 0.00 0.00 175.35 174.56 2gb4 s SER 118 N -0.52 3.54 0.35 2.83 1.04 0.18 -0.03 113.70 121.09 2gb4 s SER 118 Ca 0.08 2.36 0.04 0.00 0.48 0.00 0.00 55.95 58.91 2gb4 s SER 118 Cb -0.10 -2.59 0.68 0.00 0.10 0.00 0.00 66.02 64.11 2gb4 s SER 118 CO -0.00 -2.70 1.97 0.28 0.98 0.00 0.00 173.24 173.77 2gb4 h SER 119 N -0.96 0.72 -0.74 7.02 0.02 -1.74 -0.65 113.55 117.22 2gb4 h SER 119 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2gb4 h SER 119 Cb 1.30 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2gb4 h SER 119 CO 0.46 0.48 0.00 -1.20 -1.14 0.00 0.00 176.83 175.43 2gb4 n SER 120 N -4.47 3.99 0.00 3.07 7.64 -1.26 -4.98 113.62 117.61 2gb4 n SER 120 Ca 0.10 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2gb4 n SER 120 Cb 0.16 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 1.67 0.72 0.21 0.23 0.00 -0.25 -4.94 105.19 102.82 2gb4 n GLY 121 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 0.15 -3.21 1.61 0.02 -1.92 -3.41 113.55 106.78 2gb4 h SER 122 Ca 0.00 -0.04 -0.54 0.00 -0.84 0.00 0.00 61.79 60.36 2gb4 h SER 122 Cb 0.00 -0.04 -0.36 0.00 0.14 0.00 0.00 62.40 62.14 2gb4 h SER 122 CO 0.00 0.44 -0.81 -0.63 -1.14 0.00 0.00 176.83 174.69 2gb4 s ILE 123 N -4.37 1.15 -0.20 3.27 1.01 -1.26 -0.71 121.20 120.09 2gb4 s ILE 123 Ca -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2gb4 s ILE 123 Cb 0.14 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.51 2gb4 s ILE 123 CO 0.74 0.38 -0.16 -0.44 0.00 0.00 0.00 174.94 175.47 2gb4 s SER 124 N 1.50 3.57 -0.27 3.58 0.01 -0.18 -0.65 113.70 121.25 2gb4 s SER 124 Ca 0.02 -0.78 -0.05 0.00 1.31 0.00 0.00 55.95 56.45 2gb4 s SER 124 Cb -0.13 -1.53 0.01 0.00 0.21 0.00 0.00 66.02 64.58 2gb4 s SER 124 CO -0.07 -0.05 0.02 -0.76 0.41 0.00 0.00 173.24 172.80 2gb4 s LEU 125 N 1.28 3.54 -0.14 2.44 1.43 0.98 -1.10 118.68 127.11 2gb4 s LEU 125 Ca 0.02 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.15 2gb4 s LEU 125 Cb -0.15 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2gb4 s LEU 125 CO -0.10 -0.15 0.77 -0.31 0.23 0.00 0.00 176.35 176.79 2gb4 s TYR 126 N 1.44 3.46 -0.79 0.29 1.51 -0.20 -1.29 117.35 121.78 2gb4 s TYR 126 Ca 0.02 1.22 -0.15 0.00 -1.01 0.00 0.00 57.07 57.15 2gb4 s TYR 126 Cb -0.17 -2.93 0.19 0.00 -0.11 0.00 0.00 41.96 38.95 2gb4 s TYR 126 CO -0.00 -0.13 0.76 0.00 -1.11 0.00 0.00 175.55 175.06 2gb4 s SER 129 N -3.21 7.23 0.57 0.00 0.15 -1.26 -3.35 113.70 113.82 2gb4 s SER 129 Ca 0.18 2.06 0.26 0.00 0.70 0.00 0.00 55.95 59.16 2gb4 s SER 129 Cb 0.00 -2.60 1.54 0.00 -1.71 0.00 0.00 66.02 63.24 2gb4 s SER 129 CO 0.01 -0.16 2.07 -0.29 1.20 0.00 0.00 173.24 176.07 2gb4 h ILE 130 N 2.78 0.60 0.00 6.45 2.10 -1.96 -0.70 117.51 126.78 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 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2gb4 h ILE 130 CO 0.66 0.00 0.00 -0.26 -1.08 0.00 0.00 178.15 177.47 2gb4 h PHE 131 N 0.00 0.00 0.00 2.19 0.04 -1.98 -2.70 116.94 114.48 2gb4 h PHE 131 Ca 0.12 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 2gb4 h PHE 131 Cb 0.59 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 2gb4 h PHE 131 CO 0.00 0.00 -1.91 -0.25 -0.60 0.00 0.00 178.31 175.55 2gb4 n ASP 132 N -2.55 0.08 -0.34 2.17 8.00 -0.32 -4.58 116.55 119.00 2gb4 n ASP 132 Ca 0.03 0.03 0.14 0.00 0.71 0.00 0.00 54.79 55.71 2gb4 n ASP 132 Cb 0.35 1.85 0.34 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 0.70 -1.34 0.64 5.85 -1.06 -0.67 115.31 119.42 2gb4 h LEU 133 Ca -0.00 0.12 0.26 0.00 0.84 0.00 0.00 57.88 59.10 2gb4 h LEU 133 Cb 1.01 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 2gb4 h LEU 133 CO 0.00 0.18 0.66 -0.65 -0.34 0.00 0.00 178.44 178.29 2gb4 h PRO 134 N 0.66 0.40 -0.03 5.25 0.11 -1.81 0.49 132.00 137.07 2gb4 h PRO 134 Ca 0.60 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.69 2gb4 h PRO 134 Cb 1.03 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2gb4 h PRO 134 CO -0.43 0.27 0.08 0.00 -0.21 0.00 0.00 178.00 177.71 2gb4 h ARG 135 N 0.41 0.00 -0.01 1.05 3.08 -1.46 -1.70 114.38 115.76 2gb4 h ARG 135 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.64 2gb4 h ARG 135 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2gb4 h ARG 135 CO -0.30 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 178.49 2gb4 n ALA 136 N -2.15 2.79 -3.85 0.04 0.00 0.16 -4.86 120.51 112.64 2gb4 n ALA 136 Ca -0.02 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.74 2gb4 n ALA 136 Cb 0.16 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.66 -4.83 -0.33 0.00 3.02 -0.64 -4.87 115.26 106.94 2gb4 n ASN 137 Ca 0.16 -1.09 0.10 0.00 -0.03 0.00 0.00 54.58 53.72 2gb4 n ASN 137 Cb 0.29 -2.35 0.46 0.00 -0.61 0.00 0.00 39.78 37.58 2gb4 n ASN 137 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2gb4 n ILE 138 N -4.13 0.12 -2.38 2.41 -5.35 -1.26 -5.05 119.36 103.72 2gb4 n ILE 138 Ca -0.14 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2gb4 n ILE 138 Cb 0.60 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 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 1.01 -1.34 3.22 3.28 0.00 -1.26 -5.00 105.19 105.09 2gb4 n GLY 139 Ca 0.16 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 1.07 0.08 1.61 1.02 -1.26 -4.77 119.74 117.49 2gb4 s LYS 140 Ca 0.00 -1.51 0.07 0.00 0.02 0.00 0.00 55.97 54.54 2gb4 s LYS 140 Cb 0.00 -0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 2gb4 s LYS 140 CO 0.00 -0.16 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.04 2gb4 s PHE 141 N -3.73 1.49 -0.02 3.18 0.40 0.12 -4.85 117.98 114.57 2gb4 s PHE 141 Ca 0.24 -0.43 0.12 0.00 -0.60 0.00 0.00 56.93 56.26 2gb4 s PHE 141 Cb 0.06 -0.84 -0.14 0.00 0.51 0.00 0.00 43.02 42.61 2gb4 s PHE 141 CO 0.03 0.12 1.09 -0.44 0.70 0.00 0.00 175.22 176.73 2gb4 h ASP 142 N 4.29 0.00 -4.67 1.36 3.32 -1.45 -0.54 116.42 118.73 2gb4 h ASP 142 Ca -0.43 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.46 2gb4 h ASP 142 Cb 1.18 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.51 2gb4 h ASP 142 CO 0.40 0.82 -0.55 -0.13 -1.72 0.00 0.00 179.24 178.07 2gb4 s ARG 143 N -2.77 0.37 -0.02 3.56 1.81 -0.81 -2.11 118.95 118.98 2gb4 s ARG 143 Ca -0.00 -0.29 0.02 0.00 -1.72 0.00 0.00 55.73 53.73 2gb4 s ARG 143 Cb 0.09 0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 2gb4 s ARG 143 CO 0.80 -0.08 -0.05 0.42 -0.68 0.00 0.00 175.30 175.71 2gb4 s ILE 144 N -1.03 0.50 -0.26 1.52 1.01 -0.81 -0.92 121.20 121.21 2gb4 s ILE 144 Ca -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 2gb4 s ILE 144 Cb -0.06 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.98 2gb4 s ILE 144 CO 0.01 0.17 -0.06 0.86 0.00 0.00 0.00 174.94 175.92 2gb4 s TRP 145 N 0.29 3.11 -0.31 3.97 -0.11 -0.67 -1.41 118.94 123.81 2gb4 s TRP 145 Ca -0.03 -1.67 0.03 0.00 1.22 0.00 0.00 56.10 55.64 2gb4 s TRP 145 Cb -0.07 -2.05 0.08 0.00 -1.50 0.00 0.00 33.47 29.92 2gb4 s TRP 145 CO -0.00 -0.76 0.00 0.34 -4.62 0.00 0.00 176.95 171.91 2gb4 s ASP 146 N 1.29 4.70 -0.01 5.86 -1.08 -0.23 -4.05 116.67 123.16 2gb4 s ASP 146 Ca -0.01 -1.81 0.01 0.00 -0.52 0.00 0.00 52.55 50.21 2gb4 s ASP 146 Cb -0.17 -1.62 0.01 0.00 -1.46 0.00 0.00 42.92 39.67 2gb4 s ASP 146 CO -0.04 -0.32 -0.02 -0.60 0.52 0.00 0.00 175.17 174.72 2gb4 s ARG 147 N 1.02 0.20 -1.79 4.34 3.00 -1.26 -0.86 118.95 123.61 2gb4 s ARG 147 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 55.73 54.71 2gb4 s ARG 147 Cb -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 34.95 34.51 2gb4 s ARG 147 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 175.30 175.65 2gb4 n GLY 148 N 3.29 0.35 0.77 8.12 0.00 -1.26 -4.84 105.19 111.63 2gb4 n GLY 148 Ca -0.16 0.00 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 -0.87 2.65 -0.22 4.61 0.00 -1.26 -4.22 120.51 121.20 2gb4 n ALA 149 Ca -0.21 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.29 2gb4 n ALA 149 Cb 0.66 0.00 0.33 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 0.73 0.00 0.00 5.85 -1.88 -1.05 115.31 118.95 2gb4 h LEU 150 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2gb4 h LEU 150 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2gb4 h LEU 150 CO 0.00 0.46 0.00 1.33 -0.34 0.00 0.00 178.44 179.89 2gb4 n VAL 151 N -4.49 0.10 -0.01 1.05 0.24 -1.26 -3.35 118.33 110.61 2gb4 n VAL 151 Ca 0.12 0.02 -0.02 0.00 -2.04 0.00 0.00 64.34 62.43 2gb4 n VAL 151 Cb 0.24 -0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 31.93 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 -1.39 1.93 -1.77 2.33 0.00 -0.45 0.11 120.51 121.26 2gb4 n ALA 152 Ca 0.10 -0.77 -0.40 0.00 0.00 0.00 0.00 53.44 52.37 2gb4 n ALA 152 Cb 0.27 -0.71 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.88 2.34 0.34 0.00 -1.09 -0.88 -4.86 121.20 114.17 2gb4 s ILE 153 Ca -0.06 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 58.40 2gb4 s ILE 153 Cb 0.09 -3.20 -0.11 0.00 -1.58 0.00 0.00 42.46 37.65 2gb4 s ILE 153 CO 0.83 0.07 1.51 0.59 -1.23 0.00 0.00 174.94 176.71 2gb4 n ASN 154 N 0.34 3.75 -0.35 3.58 3.02 -1.26 -4.86 115.26 119.47 2gb4 n ASN 154 Ca 0.02 1.20 0.15 0.00 -0.03 0.00 0.00 54.58 55.92 2gb4 n ASN 154 Cb 0.41 -1.60 0.35 0.00 -0.61 0.00 0.00 39.78 38.33 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 3.59 0.64 0.00 3.52 0.11 -1.83 0.27 132.00 138.30 2gb4 h PRO 155 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2gb4 h PRO 155 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2gb4 h PRO 155 CO 0.69 0.42 0.00 0.41 -0.21 0.00 0.00 178.00 179.32 2gb4 n GLY 156 N -1.32 -0.85 1.02 -0.55 0.00 -1.24 -1.85 105.19 100.40 2gb4 n GLY 156 Ca 0.25 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.43 2gb4 n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gb4 n ASP 157 N -1.89 3.55 -0.25 1.61 8.00 0.93 -4.63 116.55 123.88 2gb4 n ASP 157 Ca 0.01 -2.09 -0.06 0.00 0.71 0.00 0.00 54.79 53.36 2gb4 n ASP 157 Cb 0.08 -0.38 0.05 0.00 -0.02 0.00 0.00 41.12 40.85 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 3.10 1.00 -0.45 1.24 3.86 -1.38 -1.13 115.15 121.40 2gb4 h HIS 158 Ca 0.00 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2gb4 h HIS 158 Cb 0.93 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 2gb4 h HIS 158 CO 0.40 0.74 0.16 -0.44 0.86 0.00 0.00 177.93 179.64 2gb4 h ASP 159 N 0.96 0.65 -0.48 2.45 3.32 -1.83 -0.65 116.42 120.85 2gb4 h ASP 159 Ca 0.24 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2gb4 h ASP 159 Cb 0.12 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2gb4 h ASP 159 CO -0.03 0.67 -0.13 -0.09 -1.72 0.00 0.00 179.24 177.94 2gb4 h ARG 160 N 0.59 0.96 -0.69 3.56 2.43 -1.86 -0.63 114.38 118.74 2gb4 h ARG 160 Ca 0.15 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2gb4 h ARG 160 Cb 0.24 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2gb4 h ARG 160 CO -0.01 1.03 0.37 -0.92 -1.51 0.00 0.00 179.97 178.93 2gb4 h TYR 161 N 0.85 0.96 -0.55 2.20 3.20 -1.02 -1.50 116.97 121.11 2gb4 h TYR 161 Ca 0.13 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2gb4 h TYR 161 Cb 0.68 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2gb4 h TYR 161 CO 0.04 0.69 0.08 0.00 -1.64 0.00 0.00 178.16 177.33 2gb4 h ALA 162 N 1.18 1.10 -0.68 1.82 0.00 -0.74 -1.00 119.26 120.93 2gb4 h ALA 162 Ca 0.24 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2gb4 h ALA 162 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2gb4 h ALA 162 CO -0.04 0.59 0.14 -0.44 0.00 0.00 0.00 179.25 179.50 2gb4 h ASP 163 N 0.84 1.06 -0.29 0.00 3.32 -0.87 -0.87 116.42 119.60 2gb4 h ASP 163 Ca 0.17 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2gb4 h ASP 163 Cb 0.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2gb4 h ASP 163 CO 0.01 1.03 0.01 0.40 -1.72 0.00 0.00 179.24 178.97 2gb4 h ILE 164 N 1.04 1.25 -0.33 0.35 2.04 -0.79 -1.78 117.51 119.29 2gb4 h ILE 164 Ca 0.21 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.19 2gb4 h ILE 164 Cb 0.40 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2gb4 h ILE 164 CO 0.01 0.29 0.14 0.40 0.00 0.00 0.00 178.15 178.99 2gb4 h ILE 165 N 0.30 0.95 -0.31 -0.67 1.08 -1.00 0.27 117.51 118.13 2gb4 h ILE 165 Ca 0.08 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2gb4 h ILE 165 Cb 0.41 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 2gb4 h ILE 165 CO 0.01 0.06 0.21 -0.07 -0.69 0.00 0.00 178.15 177.67 2gb4 h LEU 166 N 0.31 0.35 -0.22 1.44 3.38 -1.15 -2.14 115.31 117.27 2gb4 h LEU 166 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2gb4 h LEU 166 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2gb4 h LEU 166 CO -0.12 0.25 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 2gb4 n SER 167 N -4.49 0.45 -0.10 -0.43 3.41 0.03 -2.51 113.62 109.97 2gb4 n SER 167 Ca 0.02 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 2gb4 n SER 167 Cb 0.08 -0.68 0.09 0.00 -0.26 0.00 0.00 64.21 63.43 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 -1.95 0.97 -4.73 1.04 4.77 -0.81 -4.90 117.00 111.39 2gb4 n LEU 168 Ca 0.04 -0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.30 2gb4 n LEU 168 Cb 0.30 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2gb4 n LEU 168 CO 0.23 0.22 0.27 -0.76 -1.33 0.00 0.00 177.39 176.02 2gb4 s LEU 169 N -2.86 4.33 1.24 2.23 1.43 -1.05 0.14 118.68 124.14 2gb4 s LEU 169 Ca 0.13 1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 54.06 2gb4 s LEU 169 Cb 0.17 -2.87 0.30 0.00 0.03 0.00 0.00 46.19 43.82 2gb4 s LEU 169 CO 0.72 -0.00 1.06 -0.13 0.23 0.00 0.00 176.35 178.23 2gb4 s ARG 170 N 0.43 -1.51 0.24 1.70 0.52 -0.21 -4.77 118.95 115.35 2gb4 s ARG 170 Ca 0.31 0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.59 2gb4 s ARG 170 Cb -0.17 -1.55 0.29 0.00 0.52 0.00 0.00 34.95 34.04 2gb4 s ARG 170 CO 0.15 -3.93 1.66 0.87 0.02 0.00 0.00 175.30 174.07 2gb4 h LYS 171 N -2.74 0.59 -5.19 3.54 6.56 -1.99 -3.38 116.57 113.97 2gb4 h LYS 171 Ca -0.46 -0.25 -0.63 0.00 -1.06 0.00 0.00 60.65 58.24 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 0.36 0.81 -0.62 -1.21 -2.06 0.00 0.00 179.45 176.73 2gb4 s GLU 172 N -4.47 3.76 0.22 3.15 2.02 -1.26 -4.75 118.70 117.38 2gb4 s GLU 172 Ca -0.08 -0.45 -0.16 0.00 0.02 0.00 0.00 54.97 54.30 2gb4 s GLU 172 Cb 0.13 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 31.24 2gb4 s GLU 172 CO 0.81 0.12 0.51 -0.59 0.02 0.00 0.00 175.26 176.14 2gb4 s PHE 173 N 0.74 0.06 -0.04 1.61 -0.71 -1.26 -4.74 117.98 113.63 2gb4 s PHE 173 Ca 0.01 -0.42 0.04 0.00 -1.04 0.00 0.00 56.93 55.52 2gb4 s PHE 173 Cb -0.14 0.34 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 2gb4 s PHE 173 CO 0.02 -0.96 -0.15 -0.65 -1.34 0.00 0.00 175.22 172.14 2gb4 s GLN 174 N -3.93 1.65 -0.19 1.99 -0.21 -0.90 -3.98 119.66 114.10 2gb4 s GLN 174 Ca 0.14 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 54.98 2gb4 s GLN 174 Cb -0.01 -1.43 0.05 0.00 1.00 0.00 0.00 33.01 32.61 2gb4 s GLN 174 CO 0.02 0.19 -0.06 -0.47 -2.12 0.00 0.00 175.29 172.85 2gb4 s TYR 175 N 0.15 2.00 -0.24 0.91 5.04 0.12 -1.92 117.35 123.41 2gb4 s TYR 175 Ca -0.05 -1.33 -0.10 0.00 -2.44 0.00 0.00 57.07 53.14 2gb4 s TYR 175 Cb -0.12 -1.44 -0.05 0.00 0.35 0.00 0.00 41.96 40.70 2gb4 s TYR 175 CO 0.02 -0.68 0.16 -0.51 -1.34 0.00 0.00 175.55 173.20 2gb4 s LEU 176 N 1.53 4.09 -0.04 6.97 1.43 -0.50 -0.29 118.68 131.88 2gb4 s LEU 176 Ca -0.01 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2gb4 s LEU 176 Cb -0.16 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.97 2gb4 s LEU 176 CO -0.08 0.06 -0.05 0.54 0.23 0.00 0.00 176.35 177.05 2gb4 s VAL 177 N 1.12 0.57 -0.18 -1.59 0.11 -0.21 -1.07 120.40 119.14 2gb4 s VAL 177 Ca 0.07 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 2gb4 s VAL 177 Cb -0.14 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2gb4 s VAL 177 CO 0.05 0.22 -0.03 0.00 -3.33 0.00 0.00 175.10 172.01 2gb4 s ALA 178 N 0.72 2.97 0.29 1.54 0.00 -0.04 -0.96 121.76 126.28 2gb4 s ALA 178 Ca -0.10 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 50.99 2gb4 s ALA 178 Cb -0.13 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.28 2gb4 s ALA 178 CO 0.00 -0.04 -0.10 0.14 0.00 0.00 0.00 175.76 175.76 2gb4 s VAL 179 N 0.81 1.94 -0.12 0.00 -7.23 -0.64 -4.58 120.40 110.58 2gb4 s VAL 179 Ca -0.01 -2.20 0.03 0.00 -1.81 0.00 0.00 61.98 58.00 2gb4 s VAL 179 Cb -0.14 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.37 2gb4 s VAL 179 CO 0.02 -0.33 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.49 2gb4 s LEU 180 N -3.48 2.09 -0.20 1.32 1.43 -1.26 -1.57 118.68 117.01 2gb4 s LEU 180 Ca 0.29 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2gb4 s LEU 180 Cb 0.01 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 2gb4 s LEU 180 CO 0.13 0.12 0.12 -0.55 0.23 0.00 0.00 176.35 176.39 2gb4 s SER 181 N 0.59 6.04 0.30 2.29 0.15 0.87 -3.90 113.70 120.05 2gb4 s SER 181 Ca -0.13 0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.51 2gb4 s SER 181 Cb -0.17 -2.06 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 2gb4 s SER 181 CO 0.03 0.16 0.72 -0.72 1.20 0.00 0.00 173.24 174.64 2gb4 s TYR 182 N 0.45 -0.08 -0.49 3.44 1.13 -1.26 -1.26 117.35 119.27 2gb4 s TYR 182 Ca 0.07 -0.42 -0.29 0.00 -1.41 0.00 0.00 57.07 55.01 2gb4 s TYR 182 Cb -0.12 0.70 0.03 0.00 -1.10 0.00 0.00 41.96 41.47 2gb4 s TYR 182 CO -0.01 -1.30 1.21 0.34 -2.51 0.00 0.00 175.55 173.28 2gb4 s ASP 183 N -2.96 6.52 0.00 -0.18 -1.08 -1.26 -4.91 116.67 112.80 2gb4 s ASP 183 Ca 0.13 0.43 0.16 0.00 -0.52 0.00 0.00 52.55 52.75 2gb4 s ASP 183 Cb -0.05 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.59 2gb4 s ASP 183 CO 0.08 -1.35 1.51 -0.81 0.52 0.00 0.00 175.17 175.12 2gb4 n PRO 184 N 8.05 0.06 0.04 4.34 -0.04 -1.26 -1.06 135.00 145.13 2gb4 n PRO 184 Ca 0.12 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2gb4 n PRO 184 Cb 0.49 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.44 0.23 0.13 0.52 -2.24 -1.26 -3.75 114.28 106.47 2gb4 n THR 185 Ca 0.05 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 2gb4 n THR 185 Cb 0.17 -0.39 0.22 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.81 2.48 -3.62 -0.78 4.76 -0.23 -4.90 118.16 114.06 2gb4 n LYS 186 Ca 0.06 -2.28 -0.03 0.00 -2.87 0.00 0.00 58.31 53.19 2gb4 n LYS 186 Cb 0.38 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 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 -1.31 -1.12 -0.04 2.13 2.46 -1.25 -4.42 115.29 111.73 2gb4 s HIS 187 Ca 0.38 2.06 -0.28 0.00 0.47 0.00 0.00 55.06 57.69 2gb4 s HIS 187 Cb 0.22 0.67 -0.03 0.00 -0.13 0.00 0.00 32.58 33.31 2gb4 s HIS 187 CO 0.30 -0.56 0.89 0.00 -2.47 0.00 0.00 174.74 172.90 2gb4 s ALA 188 N 2.29 3.26 1.13 1.58 0.00 -1.26 -4.77 121.76 123.98 2gb4 s ALA 188 Ca -0.07 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 2gb4 s ALA 188 Cb -0.08 -3.23 0.22 0.00 0.00 0.00 0.00 23.12 20.03 2gb4 s ALA 188 CO -0.19 -0.26 0.94 0.41 0.00 0.00 0.00 175.76 176.66 2gb4 n GLY 189 N 3.01 -2.27 3.78 0.00 0.00 -1.26 -4.84 105.19 103.61 2gb4 n GLY 189 Ca 0.04 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -5.10 3.20 0.19 1.61 0.04 -1.26 -4.89 135.00 128.79 2gb4 s PRO 190 Ca 0.58 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2gb4 s PRO 190 Cb -0.04 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2gb4 s PRO 190 CO 0.43 -0.93 1.03 -1.25 0.04 0.00 0.00 177.00 176.32 2gb4 s PRO 191 N -3.74 4.68 0.44 0.56 0.04 -1.26 -5.11 135.00 130.60 2gb4 s PRO 191 Ca 0.68 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 2gb4 s PRO 191 Cb -0.20 -3.29 -0.10 0.00 0.04 0.00 0.00 34.50 30.95 2gb4 s PRO 191 CO 0.33 0.22 0.92 -0.06 0.04 0.00 0.00 177.00 178.46 2gb4 s PHE 192 N -0.49 3.36 -0.12 0.56 0.08 0.12 -5.01 117.98 116.48 2gb4 s PHE 192 Ca 0.46 1.50 -0.29 0.00 0.12 0.00 0.00 56.93 58.72 2gb4 s PHE 192 Cb -0.28 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.35 2gb4 s PHE 192 CO 0.34 -0.15 1.73 -0.47 -0.10 0.00 0.00 175.22 176.57 2gb4 s TYR 193 N -2.28 1.87 -0.33 0.36 5.04 -1.26 -4.73 117.35 116.01 2gb4 s TYR 193 Ca 0.60 0.28 0.03 0.00 -2.44 0.00 0.00 57.07 55.53 2gb4 s TYR 193 Cb -0.09 -3.98 0.10 0.00 0.35 0.00 0.00 41.96 38.34 2gb4 s TYR 193 CO 0.19 -3.74 0.06 0.08 -1.34 0.00 0.00 175.55 170.81 2gb4 s VAL 194 N 4.90 1.96 0.71 3.14 1.01 -1.25 -4.96 120.40 125.90 2gb4 s VAL 194 Ca 0.77 -2.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 2gb4 s VAL 194 Cb -0.31 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.63 2gb4 s VAL 194 CO 0.31 -0.62 1.08 -2.16 0.00 0.00 0.00 175.10 173.71 2gb4 s PRO 195 N 1.06 2.84 0.39 2.72 0.04 -1.26 -4.57 135.00 136.22 2gb4 s PRO 195 Ca 0.11 0.66 0.12 0.00 0.04 0.00 0.00 61.00 61.93 2gb4 s PRO 195 Cb -0.19 -2.00 0.93 0.00 0.04 0.00 0.00 34.50 33.28 2gb4 s PRO 195 CO -0.12 -1.10 1.91 0.77 0.04 0.00 0.00 177.00 178.50 2gb4 h SER 196 N -0.71 0.52 0.27 6.66 0.02 -1.99 0.58 113.55 118.90 2gb4 h SER 196 Ca -0.45 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.44 2gb4 h SER 196 Cb 1.24 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2gb4 h SER 196 CO 0.61 0.27 -0.34 0.00 -1.14 0.00 0.00 176.83 176.23 2gb4 h ALA 197 N 1.63 1.32 -0.17 3.77 0.00 -1.99 -0.28 119.26 123.53 2gb4 h ALA 197 Ca 0.39 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2gb4 h ALA 197 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2gb4 h ALA 197 CO -0.15 0.49 -0.52 1.49 0.00 0.00 0.00 179.25 180.56 2gb4 h GLU 198 N 0.10 0.49 -0.42 0.00 4.57 -1.26 -0.88 114.58 117.18 2gb4 h GLU 198 Ca 0.01 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2gb4 h GLU 198 Cb 0.66 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2gb4 h GLU 198 CO 0.05 0.89 0.21 -0.07 -1.18 0.00 0.00 179.01 178.91 2gb4 h LEU 199 N 0.38 0.55 -0.38 1.64 3.38 -0.97 -1.94 115.31 117.96 2gb4 h LEU 199 Ca 0.01 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2gb4 h LEU 199 Cb 1.04 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2gb4 h LEU 199 CO 0.09 0.51 0.17 0.50 0.09 0.00 0.00 178.44 179.81 2gb4 h LYS 200 N 0.54 0.34 -0.71 1.13 3.64 -0.91 -0.70 116.57 119.90 2gb4 h LYS 200 Ca 0.15 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2gb4 h LYS 200 Cb 0.11 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2gb4 h LYS 200 CO -0.02 0.23 0.42 -0.09 -2.27 0.00 0.00 179.45 177.71 2gb4 h ARG 201 N 0.35 0.75 -0.17 1.90 2.43 -0.86 0.30 114.38 119.09 2gb4 h ARG 201 Ca 0.17 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2gb4 h ARG 201 Cb 0.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2gb4 h ARG 201 CO -0.14 0.50 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.45 2gb4 h LEU 202 N 0.78 0.56 -0.25 3.80 3.38 -1.02 -3.40 115.31 119.16 2gb4 h LEU 202 Ca 0.31 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2gb4 h LEU 202 Cb 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2gb4 h LEU 202 CO -0.16 0.99 -0.03 0.49 0.09 0.00 0.00 178.44 179.82 2gb4 n PHE 203 N -4.37 0.00 0.16 1.13 3.72 -0.30 -4.81 117.46 112.99 2gb4 n PHE 203 Ca -0.06 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.34 2gb4 n PHE 203 Cb 0.47 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.19 0.03 0.88 1.37 0.00 -0.52 0.19 103.07 105.21 2gb4 h GLY 204 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2gb4 h GLY 204 CO 0.00 0.03 0.05 -0.84 0.00 0.00 0.00 176.54 175.78 2gb4 h THR 205 N 0.02 1.15 0.05 4.70 2.02 -1.87 -3.31 112.91 115.67 2gb4 h THR 205 Ca -0.00 -0.45 -0.29 0.00 0.77 0.00 0.00 66.41 66.44 2gb4 h THR 205 Cb 0.82 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 2gb4 h THR 205 CO 0.06 0.14 -1.55 0.11 0.37 0.00 0.00 175.52 174.64 2gb4 h LYS 206 N 0.06 0.10 -6.38 6.66 1.57 -1.86 -3.48 116.57 113.24 2gb4 h LYS 206 Ca 0.04 -0.17 -0.69 0.00 -1.87 0.00 0.00 60.65 57.97 2gb4 h LYS 206 Cb 0.17 0.06 -0.21 0.00 0.08 0.00 0.00 32.23 32.33 2gb4 h LYS 206 CO -0.00 0.84 -0.76 0.00 -0.57 0.00 0.00 179.45 178.96 2gb4 s SER 208 N -1.09 6.60 -0.01 0.00 0.01 -0.27 -4.50 113.70 114.44 2gb4 s SER 208 Ca 0.14 2.00 0.02 0.00 1.31 0.00 0.00 55.95 59.41 2gb4 s SER 208 Cb -0.11 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.54 2gb4 s SER 208 CO 0.03 -0.60 -0.06 -0.04 0.41 0.00 0.00 173.24 172.98 2gb4 s MET 209 N -2.78 0.51 -0.06 12.44 1.00 -1.26 -2.11 119.30 127.03 2gb4 s MET 209 Ca 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 55.69 56.07 2gb4 s MET 209 Cb -0.20 -0.50 0.03 0.00 0.00 0.00 0.00 34.83 34.16 2gb4 s MET 209 CO 0.25 0.12 0.02 -1.14 0.00 0.00 0.00 175.02 174.27 2gb4 s GLN 210 N -0.10 0.41 -0.35 2.03 0.74 -0.41 -4.97 119.66 117.01 2gb4 s GLN 210 Ca 0.02 0.18 -0.29 0.00 0.05 0.00 0.00 55.36 55.32 2gb4 s GLN 210 Cb -0.03 -0.83 0.01 0.00 1.10 0.00 0.00 33.01 33.26 2gb4 s GLN 210 CO -0.00 -0.31 1.19 0.00 -0.55 0.00 0.00 175.29 175.62 2gb4 h LEU 212 N 10.77 0.00 -7.07 0.00 3.38 -0.67 -3.49 115.31 118.23 2gb4 h LEU 212 Ca -0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2gb4 h LEU 212 Cb 1.08 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.62 2gb4 h LEU 212 CO 1.06 0.82 0.09 -1.61 0.09 0.00 0.00 178.44 178.88 2gb4 s GLU 213 N -2.74 0.88 -0.20 1.13 0.41 -1.17 -4.97 118.70 112.04 2gb4 s GLU 213 Ca -0.03 0.58 -0.04 0.00 -0.41 0.00 0.00 54.97 55.06 2gb4 s GLU 213 Cb 0.08 0.42 0.08 0.00 -1.78 0.00 0.00 34.13 32.93 2gb4 s GLU 213 CO 0.82 -0.19 0.13 -2.00 -0.49 0.00 0.00 175.26 173.53 2gb4 s GLU 214 N -0.39 0.12 -0.04 1.61 2.12 -1.25 -0.91 118.70 119.96 2gb4 s GLU 214 Ca -0.05 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.23 2gb4 s GLU 214 Cb -0.03 -1.56 -0.00 0.00 0.26 0.00 0.00 34.13 32.80 2gb4 s GLU 214 CO 0.05 -0.73 -0.15 0.08 -0.54 0.00 0.00 175.26 173.97 2gb4 s VAL 215 N 2.18 1.27 0.12 3.70 1.01 0.11 -4.96 120.40 123.83 2gb4 s VAL 215 Ca 0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 2gb4 s VAL 215 Cb -0.16 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 2gb4 s VAL 215 CO -0.14 0.37 1.68 -0.62 0.00 0.00 0.00 175.10 176.39 2gb4 s ASP 216 N 0.14 6.54 -0.01 3.32 2.15 -1.26 -0.05 116.67 127.50 2gb4 s ASP 216 Ca -0.05 2.61 0.01 0.00 0.43 0.00 0.00 52.55 55.56 2gb4 s ASP 216 Cb -0.11 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 2gb4 s ASP 216 CO 0.02 -0.91 0.89 0.00 -0.17 0.00 0.00 175.17 175.00 2gb4 n ALA 217 N 5.13 1.78 -2.32 3.66 0.00 0.35 -4.86 120.51 124.25 2gb4 n ALA 217 Ca 0.16 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.19 2gb4 n ALA 217 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.86 3.88 0.40 0.00 2.96 -1.16 -4.92 118.68 118.98 2gb4 s LEU 218 Ca 0.02 1.33 0.04 0.00 -0.22 0.00 0.00 54.13 55.30 2gb4 s LEU 218 Cb 0.02 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 2gb4 s LEU 218 CO 0.00 -1.15 0.58 -1.61 -1.32 0.00 0.00 176.35 172.85 2gb4 s GLU 219 N 4.35 3.03 0.32 1.98 2.02 -1.26 -4.97 118.70 124.17 2gb4 s GLU 219 Ca 0.61 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.81 2gb4 s GLU 219 Cb -0.19 -2.69 0.63 0.00 0.10 0.00 0.00 34.13 31.97 2gb4 s GLU 219 CO 0.25 -0.15 1.89 1.05 0.02 0.00 0.00 175.26 178.33 2gb4 h GLU 220 N 0.63 0.88 0.00 1.61 -0.00 -2.02 0.46 114.58 116.13 2gb4 h GLU 220 Ca -0.45 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.36 58.84 2gb4 h GLU 220 Cb 1.26 -0.20 -0.00 0.00 -0.00 0.00 0.00 28.75 29.81 2gb4 h GLU 220 CO 0.54 0.58 -0.09 0.07 -0.00 0.00 0.00 179.01 180.11 2gb4 h ARG 221 N 0.91 0.00 0.00 1.06 0.11 -2.00 -2.80 114.38 111.66 2gb4 h ARG 221 Ca 0.41 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.48 2gb4 h ARG 221 Cb 0.39 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 2gb4 h ARG 221 CO -0.18 0.09 -0.05 0.45 0.10 0.00 0.00 179.97 180.38 2gb4 h HIS 222 N 0.00 0.00 -0.25 4.08 3.86 -1.28 -1.19 115.15 120.38 2gb4 h HIS 222 Ca -0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2gb4 h HIS 222 Cb 0.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2gb4 h HIS 222 CO 0.00 0.05 -0.21 0.87 0.86 0.00 0.00 177.93 179.50 2gb4 h LYS 223 N 0.00 0.46 -0.96 2.45 6.56 -1.54 -0.19 116.57 123.35 2gb4 h LYS 223 Ca -0.00 -0.16 0.18 0.00 -1.06 0.00 0.00 60.65 59.61 2gb4 h LYS 223 Cb 0.89 -0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 32.43 2gb4 h LYS 223 CO 0.01 0.65 0.61 0.00 -2.06 0.00 0.00 179.45 178.65 2gb4 h ALA 224 N 1.36 1.85 0.00 3.86 0.00 -1.22 -1.14 119.26 123.96 2gb4 h ALA 224 Ca 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2gb4 h ALA 224 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2gb4 h ALA 224 CO 0.04 -0.16 -0.33 -1.49 0.00 0.00 0.00 179.25 177.31 2gb4 h TRP 225 N 0.67 0.00 0.00 0.00 4.06 -0.98 -3.46 115.95 116.24 2gb4 h TRP 225 Ca 0.52 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.47 2gb4 h TRP 225 Cb 0.92 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 2gb4 h TRP 225 CO -0.00 0.33 0.00 0.41 -3.56 0.00 0.00 178.44 175.62 2gb4 n GLY 226 N -0.44 1.40 3.76 1.49 0.00 -0.43 -4.66 105.19 106.31 2gb4 n GLY 226 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 4.12 0.00 0.99 1.43 -1.16 -4.88 118.68 119.18 2gb4 s LEU 227 Ca 0.00 0.27 0.24 0.00 -1.03 0.00 0.00 54.13 53.61 2gb4 s LEU 227 Cb 0.00 -2.02 0.16 0.00 0.03 0.00 0.00 46.19 44.36 2gb4 s LEU 227 CO 0.00 0.29 1.21 -0.90 0.23 0.00 0.00 176.35 177.18 2gb4 n ASP 228 N 2.80 2.27 -3.64 2.29 5.75 -1.26 -4.29 116.55 120.48 2gb4 n ASP 228 Ca -0.18 -1.64 -0.15 0.00 -0.01 0.00 0.00 54.79 52.81 2gb4 n ASP 228 Cb 0.53 0.27 -0.08 0.00 -1.03 0.00 0.00 41.12 40.82 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 -2.29 -0.50 -0.30 2.11 -0.85 -1.26 -5.08 117.35 109.18 2gb4 s TYR 229 Ca 0.23 0.97 -0.07 0.00 -0.52 0.00 0.00 57.07 57.68 2gb4 s TYR 229 Cb 0.19 0.26 0.15 0.00 0.38 0.00 0.00 41.96 42.94 2gb4 s TYR 229 CO 0.46 -0.45 0.63 -1.17 -1.52 0.00 0.00 175.55 173.50 2gb4 s LEU 230 N -0.81 -1.23 -0.07 -3.49 2.96 -1.26 -4.59 118.68 110.19 2gb4 s LEU 230 Ca -0.09 1.32 0.05 0.00 -0.22 0.00 0.00 54.13 55.19 2gb4 s LEU 230 Cb -0.03 2.24 -0.01 0.00 0.50 0.00 0.00 46.19 48.90 2gb4 s LEU 230 CO 0.06 -0.23 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.28 2gb4 s PHE 231 N 2.88 2.55 -0.14 5.38 0.08 -0.39 0.13 117.98 128.46 2gb4 s PHE 231 Ca 0.04 -0.68 -0.09 0.00 0.12 0.00 0.00 56.93 56.31 2gb4 s PHE 231 Cb -0.13 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2gb4 s PHE 231 CO -0.20 -0.19 0.17 -2.00 -0.10 0.00 0.00 175.22 172.90 2gb4 s GLU 232 N -0.09 3.81 -0.06 0.44 2.12 0.93 -0.09 118.70 125.76 2gb4 s GLU 232 Ca -0.05 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.20 2gb4 s GLU 232 Cb -0.14 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2gb4 s GLU 232 CO 0.04 0.56 -0.14 0.15 -0.54 0.00 0.00 175.26 175.33 2gb4 s LYS 233 N -0.41 1.76 -0.18 4.30 1.02 -0.61 0.06 119.74 125.68 2gb4 s LYS 233 Ca 0.13 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 2gb4 s LYS 233 Cb -0.12 -1.47 -0.02 0.00 -0.52 0.00 0.00 37.83 35.70 2gb4 s LYS 233 CO 0.02 0.11 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.35 2gb4 s LEU 234 N 0.42 3.08 0.02 3.17 2.96 -0.08 -1.62 118.68 126.62 2gb4 s LEU 234 Ca -0.11 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 2gb4 s LEU 234 Cb -0.14 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2gb4 s LEU 234 CO 0.03 0.09 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.71 2gb4 s TYR 235 N 0.83 2.71 -0.24 5.38 1.51 -0.13 0.13 117.35 127.53 2gb4 s TYR 235 Ca -0.01 -0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2gb4 s TYR 235 Cb -0.15 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 2gb4 s TYR 235 CO 0.02 0.29 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.53 2gb4 s LEU 236 N -1.35 3.08 -0.13 -1.29 2.96 0.16 -1.04 118.68 121.07 2gb4 s LEU 236 Ca 0.15 -0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2gb4 s LEU 236 Cb -0.11 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2gb4 s LEU 236 CO 0.06 -0.09 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.20 2gb4 s LEU 237 N 1.39 3.26 0.25 -0.68 1.02 0.60 -1.29 118.68 123.23 2gb4 s LEU 237 Ca 0.03 -0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.08 2gb4 s LEU 237 Cb -0.16 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 2gb4 s LEU 237 CO -0.04 0.23 0.26 0.42 0.02 0.00 0.00 176.35 177.24 2gb4 s THR 238 N -0.03 0.00 0.46 5.49 -4.23 -0.90 0.11 115.64 116.54 2gb4 s THR 238 Ca 0.01 -1.85 -0.23 0.00 -1.18 0.00 0.00 61.69 58.44 2gb4 s THR 238 Cb -0.13 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 2gb4 s THR 238 CO 0.03 0.00 0.99 1.21 -0.54 0.00 0.00 174.62 176.31 2gb4 n GLU 239 N -0.39 1.25 0.00 3.99 2.13 -1.26 -1.11 120.64 125.25 2gb4 n GLU 239 Ca 0.02 0.46 0.04 0.00 0.66 0.00 0.00 57.16 58.33 2gb4 n GLU 239 Cb 0.64 -2.07 0.22 0.00 0.27 0.00 0.00 31.44 30.50 2gb4 n GLU 239 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35