#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gi4 s LYS 2 N 0.00 0.25 -0.07 0.03 3.01 -1.26 -5.05 119.74 116.65 2gi4 s LYS 2 Ca 0.00 0.66 0.02 0.00 -1.01 0.00 0.00 55.97 55.64 2gi4 s LYS 2 Cb 0.00 -0.28 0.01 0.00 -1.01 0.00 0.00 37.83 36.55 2gi4 s LYS 2 CO 0.00 -0.44 -0.12 0.15 0.51 0.00 0.00 175.35 175.45 2gi4 s LYS 3 N 2.48 1.73 -0.24 1.68 -0.14 -1.26 -2.09 119.74 121.90 2gi4 s LYS 3 Ca 0.05 -0.41 -0.01 0.00 -1.36 0.00 0.00 55.97 54.24 2gi4 s LYS 3 Cb -0.14 -1.46 0.03 0.00 -1.68 0.00 0.00 37.83 34.58 2gi4 s LYS 3 CO -0.12 -0.01 -0.09 0.42 -0.76 0.00 0.00 175.35 174.79 2gi4 s ILE 4 N 0.79 2.65 -0.40 2.17 -1.09 -0.89 -0.68 121.20 123.75 2gi4 s ILE 4 Ca -0.12 -1.07 -0.15 0.00 -2.23 0.00 0.00 60.65 57.07 2gi4 s ILE 4 Cb -0.15 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.41 2gi4 s ILE 4 CO 0.02 0.24 0.32 -0.22 -1.23 0.00 0.00 174.94 174.07 2gi4 s LEU 5 N 1.29 4.98 -0.31 2.97 0.20 -0.29 -1.28 118.68 126.24 2gi4 s LEU 5 Ca -0.00 -0.78 -0.18 0.00 0.69 0.00 0.00 54.13 53.86 2gi4 s LEU 5 Cb -0.16 -2.20 -0.01 0.00 -0.43 0.00 0.00 46.19 43.38 2gi4 s LEU 5 CO -0.06 -0.44 0.51 -0.36 -0.29 0.00 0.00 176.35 175.71 2gi4 s PHE 6 N 1.78 3.21 -0.25 5.38 0.08 0.06 -2.06 117.98 126.19 2gi4 s PHE 6 Ca 0.07 0.38 -0.09 0.00 0.12 0.00 0.00 56.93 57.40 2gi4 s PHE 6 Cb -0.18 -2.84 -0.04 0.00 -0.57 0.00 0.00 43.02 39.38 2gi4 s PHE 6 CO 0.11 -0.43 0.12 0.42 -0.10 0.00 0.00 175.22 175.34 2gi4 s ILE 7 N 2.36 4.91 -0.04 0.64 1.09 -0.87 -2.27 121.20 127.04 2gi4 s ILE 7 Ca 0.20 0.03 0.03 0.00 -1.10 0.00 0.00 60.65 59.80 2gi4 s ILE 7 Cb -0.15 -3.30 0.01 0.00 -1.06 0.00 0.00 42.46 37.95 2gi4 s ILE 7 CO 0.12 0.33 -0.10 0.00 -0.10 0.00 0.00 174.94 175.18 2gi4 s LEU 9 N 0.36 3.37 0.00 0.00 2.96 -1.26 -3.69 118.68 120.42 2gi4 s LEU 9 Ca -0.07 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 52.76 2gi4 s LEU 9 Cb -0.11 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.01 2gi4 s LEU 9 CO 0.01 -1.87 0.00 0.61 -1.32 0.00 0.00 176.35 173.78 2gi4 n GLY 10 N 6.66 2.54 1.95 7.98 0.00 -1.26 -4.84 105.19 118.21 2gi4 n GLY 10 Ca 0.31 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2gi4 n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gi4 n ASN 11 N 0.00 -3.18 -0.14 1.61 2.85 -1.24 -3.49 115.26 111.67 2gi4 n ASN 11 Ca 0.00 0.29 0.01 0.00 -0.11 0.00 0.00 54.58 54.77 2gi4 n ASN 11 Cb 0.00 -3.00 0.01 0.00 1.24 0.00 0.00 39.78 38.03 2gi4 n ASN 11 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2gi4 n ILE 12 N -1.89 0.24 0.00 -1.44 -5.35 -1.26 -3.17 119.36 106.49 2gi4 n ILE 12 Ca -0.12 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2gi4 n ILE 12 Cb 0.40 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 2gi4 n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gi4 h ARG 14 N 0.00 0.52 -0.07 0.00 0.11 -1.94 -3.21 114.38 109.80 2gi4 h ARG 14 Ca 0.00 -0.83 0.01 0.00 0.10 0.00 0.00 59.98 59.26 2gi4 h ARG 14 Cb 0.00 0.30 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2gi4 h ARG 14 CO 0.00 1.39 0.02 1.03 0.10 0.00 0.00 179.97 182.51 2gi4 h SER 15 N 0.17 0.02 -0.75 0.08 0.87 -1.93 -1.45 113.55 110.56 2gi4 h SER 15 Ca -0.22 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 2gi4 h SER 15 Cb 2.06 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.99 2gi4 h SER 15 CO 0.25 0.02 0.44 1.55 -0.53 0.00 0.00 176.83 178.57 2gi4 h PRO 16 N 0.05 1.04 0.84 2.24 0.13 -1.76 0.25 132.00 134.80 2gi4 h PRO 16 Ca 0.03 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2gi4 h PRO 16 Cb 0.02 -0.21 0.01 0.00 0.13 0.00 0.00 31.00 30.94 2gi4 h PRO 16 CO -0.03 0.74 -0.40 1.98 -0.23 0.00 0.00 178.00 180.06 2gi4 h MET 17 N 1.05 -1.09 0.00 0.86 4.05 -1.49 -2.08 114.93 116.23 2gi4 h MET 17 Ca 0.27 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 2gi4 h MET 17 Cb -0.01 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2gi4 h MET 17 CO -0.05 -0.72 0.00 0.00 0.23 0.00 0.00 176.91 176.37 2gi4 h ALA 18 N -0.96 1.00 0.02 0.39 0.00 -1.13 -2.44 119.26 116.14 2gi4 h ALA 18 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gi4 h ALA 18 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2gi4 h ALA 18 CO 0.19 0.00 -0.01 1.49 0.00 0.00 0.00 179.25 180.92 2gi4 h GLU 19 N 0.00 -0.03 -0.18 0.00 4.81 0.17 0.68 114.58 120.03 2gi4 h GLU 19 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2gi4 h GLU 19 Cb 0.31 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2gi4 h GLU 19 CO 0.00 0.34 -0.64 0.35 -0.73 0.00 0.00 179.01 178.33 2gi4 h PHE 20 N -0.40 0.83 0.42 0.92 3.57 -1.22 -2.31 116.94 118.76 2gi4 h PHE 20 Ca -0.00 -0.33 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2gi4 h PHE 20 Cb 0.38 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2gi4 h PHE 20 CO 0.05 1.11 -0.20 0.82 -2.23 0.00 0.00 178.31 177.85 2gi4 h ILE 21 N 0.47 0.55 0.00 1.41 2.04 -1.44 -1.28 117.51 119.26 2gi4 h ILE 21 Ca -0.01 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2gi4 h ILE 21 Cb 1.22 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2gi4 h ILE 21 CO 0.12 0.07 -0.11 0.24 0.00 0.00 0.00 178.15 178.48 2gi4 h MET 22 N -0.80 -0.18 -0.55 2.37 2.86 -0.94 -2.09 114.93 115.61 2gi4 h MET 22 Ca -0.06 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2gi4 h MET 22 Cb 0.54 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2gi4 h MET 22 CO 0.10 -0.12 0.36 -0.22 1.06 0.00 0.00 176.91 178.09 2gi4 h LYS 23 N -0.18 0.49 0.82 1.72 3.64 -1.46 0.17 116.57 121.77 2gi4 h LYS 23 Ca 0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2gi4 h LYS 23 Cb 0.23 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2gi4 h LYS 23 CO -0.10 0.32 -0.39 0.22 -2.27 0.00 0.00 179.45 177.23 2gi4 h ASP 24 N 0.50 -0.93 0.59 4.20 3.58 -0.57 -2.23 116.42 121.55 2gi4 h ASP 24 Ca 0.24 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2gi4 h ASP 24 Cb 0.29 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 2gi4 h ASP 24 CO -0.07 -0.58 -0.03 0.17 -2.88 0.00 0.00 179.24 175.86 2gi4 h LEU 25 N -1.28 0.00 -0.02 2.28 8.10 -1.22 -3.04 115.31 120.13 2gi4 h LEU 25 Ca -0.11 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.87 2gi4 h LEU 25 Cb 0.84 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.06 2gi4 h LEU 25 CO 0.18 0.03 -0.02 0.58 -4.11 0.00 0.00 178.44 175.10 2gi4 h VAL 26 N 0.00 1.39 -0.77 0.15 2.07 -0.50 -3.07 116.25 115.52 2gi4 h VAL 26 Ca -0.00 -1.18 0.10 0.00 0.82 0.00 0.00 66.70 66.44 2gi4 h VAL 26 Cb 0.33 2.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 2gi4 h VAL 26 CO 0.00 0.31 0.40 0.11 0.02 0.00 0.00 177.57 178.42 2gi4 h LYS 27 N -0.43 0.63 0.22 1.57 1.57 -1.28 0.56 116.57 119.41 2gi4 h LYS 27 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2gi4 h LYS 27 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2gi4 h LYS 27 CO 0.00 0.42 -0.10 1.57 -0.57 0.00 0.00 179.45 180.77 2gi4 h LYS 28 N 0.65 -0.28 0.00 3.15 5.09 -1.62 -3.34 116.57 120.21 2gi4 h LYS 28 Ca 0.39 0.02 -0.10 0.00 0.09 0.00 0.00 60.65 61.05 2gi4 h LYS 28 Cb 0.43 0.06 -0.21 0.00 0.10 0.00 0.00 32.23 32.61 2gi4 h LYS 28 CO -0.28 0.06 -0.76 0.00 -2.09 0.00 0.00 179.45 176.38 2gi4 n ALA 29 N -2.44 2.72 0.06 0.07 0.00 -1.16 -4.72 120.51 115.03 2gi4 n ALA 29 Ca -0.09 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.83 2gi4 n ALA 29 Cb 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2gi4 n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gi4 n ASN 30 N -0.16 0.43 0.17 0.00 4.13 0.17 -4.81 115.26 115.19 2gi4 n ASN 30 Ca 0.10 0.19 0.04 0.00 1.68 0.00 0.00 54.58 56.59 2gi4 n ASN 30 Cb 0.93 -0.03 0.26 0.00 -1.54 0.00 0.00 39.78 39.40 2gi4 n ASN 30 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 2gi4 h LEU 31 N 0.00 0.00 -1.71 3.41 8.10 -0.44 -0.04 115.31 124.62 2gi4 h LEU 31 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2gi4 h LEU 31 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2gi4 h LEU 31 CO 0.00 0.44 0.00 -0.33 -4.11 0.00 0.00 178.44 174.44 2gi4 h GLU 32 N 0.00 0.00 0.00 0.17 4.39 -1.73 -0.24 114.58 117.17 2gi4 h GLU 32 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2gi4 h GLU 32 Cb 1.01 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.61 2gi4 h GLU 32 CO 0.06 0.00 -2.21 1.17 -1.16 0.00 0.00 179.01 176.86 2gi4 n LYS 33 N -2.54 0.68 0.00 2.33 4.81 -1.02 -4.97 118.16 117.45 2gi4 n LYS 33 Ca -0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2gi4 n LYS 33 Cb 0.10 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2gi4 n LYS 33 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2gi4 n GLU 34 N -2.69 0.00 -3.51 1.64 0.28 -0.10 -5.05 120.64 111.20 2gi4 n GLU 34 Ca -0.25 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.35 2gi4 n GLU 34 Cb 1.03 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.79 2gi4 n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2gi4 s PHE 35 N -0.95 3.22 -0.10 -1.84 0.40 -0.06 -4.04 117.98 114.61 2gi4 s PHE 35 Ca 0.00 -0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 2gi4 s PHE 35 Cb 0.00 -2.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 2gi4 s PHE 35 CO 0.00 -0.34 -0.02 -0.06 0.70 0.00 0.00 175.22 175.50 2gi4 s PHE 36 N 1.79 3.09 0.11 0.36 0.08 -0.89 -2.47 117.98 120.05 2gi4 s PHE 36 Ca 0.07 0.04 0.09 0.00 0.12 0.00 0.00 56.93 57.26 2gi4 s PHE 36 Cb -0.17 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 2gi4 s PHE 36 CO 0.11 0.31 -0.20 0.96 -0.10 0.00 0.00 175.22 176.29 2gi4 s ILE 37 N -0.51 2.69 0.10 0.64 -4.36 -1.26 -2.10 121.20 116.39 2gi4 s ILE 37 Ca 0.08 -1.52 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 2gi4 s ILE 37 Cb -0.12 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 2gi4 s ILE 37 CO 0.02 0.13 -0.07 0.20 0.24 0.00 0.00 174.94 175.46 2gi4 s ASN 38 N -2.02 1.21 -0.18 4.36 -0.87 -0.41 -4.95 114.94 112.09 2gi4 s ASN 38 Ca 0.16 -0.93 -0.11 0.00 -1.57 0.00 0.00 52.86 50.41 2gi4 s ASN 38 Cb -0.10 0.07 0.06 0.00 -0.02 0.00 0.00 41.25 41.25 2gi4 s ASN 38 CO 0.08 -0.40 0.44 -0.44 -2.57 0.00 0.00 177.10 174.21 2gi4 s SER 39 N -2.82 -0.53 0.15 -1.22 0.01 -1.26 -0.76 113.70 107.28 2gi4 s SER 39 Ca 0.09 0.93 -0.25 0.00 1.31 0.00 0.00 55.95 58.03 2gi4 s SER 39 Cb 0.02 0.85 0.07 0.00 0.21 0.00 0.00 66.02 67.16 2gi4 s SER 39 CO -0.03 -0.18 0.97 0.00 0.41 0.00 0.00 173.24 174.41 2gi4 s ALA 40 N 1.08 -1.68 0.68 1.44 0.00 -0.96 -4.91 121.76 117.41 2gi4 s ALA 40 Ca -0.07 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.04 2gi4 s ALA 40 Cb -0.07 0.63 0.12 0.00 0.00 0.00 0.00 23.12 23.81 2gi4 s ALA 40 CO -0.09 -1.05 0.87 0.41 0.00 0.00 0.00 175.76 175.90 2gi4 n GLY 41 N -0.47 0.83 0.11 0.00 0.00 -1.18 -1.79 105.19 102.69 2gi4 n GLY 41 Ca -0.06 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 2gi4 n GLY 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gi4 h THR 42 N -0.50 1.32 0.00 2.61 1.35 -1.88 -0.82 112.91 115.00 2gi4 h THR 42 Ca -0.29 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2gi4 h THR 42 Cb 1.09 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2gi4 h THR 42 CO 0.32 0.32 0.00 -0.24 -0.25 0.00 0.00 175.52 175.67 2gi4 n SER 43 N -4.68 0.83 -3.30 5.36 2.88 -1.26 -4.50 113.62 108.95 2gi4 n SER 43 Ca -0.06 -1.10 -0.23 0.00 -1.33 0.00 0.00 58.87 56.15 2gi4 n SER 43 Cb 0.29 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2gi4 n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gi4 n GLY 44 N -0.05 -0.49 0.00 0.46 0.00 -1.26 -4.81 105.19 99.05 2gi4 n GLY 44 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2gi4 n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gi4 n GLU 45 N -3.71 0.00 0.01 1.61 1.02 -1.26 -4.02 120.64 114.29 2gi4 n GLU 45 Ca -0.03 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 2gi4 n GLU 45 Cb 0.55 -1.02 -0.11 0.00 -0.02 0.00 0.00 31.44 30.84 2gi4 n GLU 45 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2gi4 n HIS 46 N -0.75 0.14 -1.51 -0.32 8.25 -1.26 -4.91 115.22 114.86 2gi4 n HIS 46 Ca 0.00 0.04 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 2gi4 n HIS 46 Cb 0.00 -0.43 -0.14 0.00 1.12 0.00 0.00 29.99 30.54 2gi4 n HIS 46 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2gi4 n ASP 47 N -2.08 0.41 0.00 0.41 8.00 -1.23 -3.20 116.55 118.86 2gi4 n ASP 47 Ca -0.01 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2gi4 n ASP 47 Cb 0.49 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 2gi4 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gi4 n GLY 48 N 6.33 0.29 0.14 0.44 0.00 -1.19 -1.46 105.19 109.74 2gi4 n GLY 48 Ca 0.62 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.59 2gi4 n GLY 48 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gi4 h GLU 49 N 0.00 -0.19 0.00 1.61 4.39 -1.71 -2.26 114.58 116.42 2gi4 h GLU 49 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2gi4 h GLU 49 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2gi4 h GLU 49 CO 0.00 -0.12 0.00 0.41 -1.16 0.00 0.00 179.01 178.14 2gi4 n GLY 50 N -1.13 3.02 3.42 -3.84 0.00 -1.20 -4.40 105.19 101.06 2gi4 n GLY 50 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2gi4 n GLY 50 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2gi4 s MET 51 N -0.84 3.58 0.31 1.61 0.00 -1.19 -4.34 119.30 118.43 2gi4 s MET 51 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 55.69 55.19 2gi4 s MET 51 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 34.83 31.69 2gi4 s MET 51 CO 0.00 -0.04 0.07 -1.58 0.00 0.00 0.00 175.02 173.47 2gi4 s HIS 52 N 1.12 1.86 0.02 3.16 2.46 -1.12 -4.83 115.29 117.95 2gi4 s HIS 52 Ca 0.03 -1.02 -0.05 0.00 0.47 0.00 0.00 55.06 54.48 2gi4 s HIS 52 Cb -0.14 -1.19 -0.02 0.00 -0.13 0.00 0.00 32.58 31.09 2gi4 s HIS 52 CO 0.01 -0.08 1.08 1.88 -2.47 0.00 0.00 174.74 175.16 2gi4 h TYR 53 N 2.16 -0.22 -0.26 3.88 0.05 -1.99 -0.12 116.97 120.47 2gi4 h TYR 53 Ca -0.40 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.25 2gi4 h TYR 53 Cb 1.25 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.07 2gi4 h TYR 53 CO 0.58 -0.08 -0.40 0.78 -1.05 0.00 0.00 178.16 177.99 2gi4 h GLY 54 N -0.10 0.68 1.00 3.88 0.00 -1.86 -2.99 103.07 103.67 2gi4 h GLY 54 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 2gi4 h GLY 54 CO -0.05 0.61 -0.09 -0.84 0.00 0.00 0.00 176.54 176.18 2gi4 h THR 55 N 0.51 0.82 -0.45 4.70 2.02 -1.82 -2.22 112.91 116.48 2gi4 h THR 55 Ca 0.04 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.24 2gi4 h THR 55 Cb 0.92 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 2gi4 h THR 55 CO 0.08 0.00 0.30 0.07 0.37 0.00 0.00 175.52 176.34 2gi4 h LYS 56 N -0.25 0.53 -0.05 6.66 2.10 -1.07 -1.66 116.57 122.84 2gi4 h LYS 56 Ca -0.02 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2gi4 h LYS 56 Cb 0.19 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2gi4 h LYS 56 CO 0.04 0.35 0.02 -0.97 -2.00 0.00 0.00 179.45 176.89 2gi4 h ASN 57 N 0.54 0.06 -0.51 7.07 -1.24 -1.29 0.29 115.58 120.50 2gi4 h ASN 57 Ca 0.18 -0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.01 2gi4 h ASN 57 Cb 0.04 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2gi4 h ASN 57 CO -0.04 0.14 0.02 0.11 -1.29 0.00 0.00 177.43 176.37 2gi4 h LYS 58 N -0.03 0.88 -0.41 6.67 1.79 -1.04 -1.98 116.57 122.46 2gi4 h LYS 58 Ca 0.02 -0.27 -0.10 0.00 -2.18 0.00 0.00 60.65 58.11 2gi4 h LYS 58 Cb 0.10 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2gi4 h LYS 58 CO -0.00 0.90 -0.16 -0.07 -1.08 0.00 0.00 179.45 179.04 2gi4 h LEU 59 N 0.75 0.77 -1.34 2.94 4.07 -1.21 -2.58 115.31 118.71 2gi4 h LEU 59 Ca 0.15 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 2gi4 h LEU 59 Cb 0.49 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2gi4 h LEU 59 CO 0.02 0.93 -0.10 0.00 -1.08 0.00 0.00 178.44 178.22 2gi4 h ALA 60 N 1.13 1.46 0.31 1.53 0.00 -0.21 0.24 119.26 123.72 2gi4 h ALA 60 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gi4 h ALA 60 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2gi4 h ALA 60 CO 0.05 0.38 -0.34 1.96 0.00 0.00 0.00 179.25 181.30 2gi4 h GLN 61 N 0.31 -0.66 0.00 0.00 4.20 -0.94 -3.42 115.11 114.60 2gi4 h GLN 61 Ca 0.06 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2gi4 h GLN 61 Cb 0.37 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2gi4 h GLN 61 CO 0.02 -0.44 0.00 1.47 -0.67 0.00 0.00 178.83 179.21 2gi4 n LEU 62 N -5.45 0.00 0.00 1.46 -0.00 -1.17 -5.12 117.00 106.73 2gi4 n LEU 62 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2gi4 n LEU 62 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 2gi4 n LEU 62 CO 0.27 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.25 2gi4 n ASN 63 N -0.42 0.00 -4.48 1.45 3.02 0.85 -5.05 115.26 110.62 2gi4 n ASN 63 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 2gi4 n ASN 63 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 2gi4 n ASN 63 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gi4 s ILE 64 N 0.00 3.39 -1.00 2.41 1.01 -1.17 -4.47 121.20 121.36 2gi4 s ILE 64 Ca 0.00 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 59.82 2gi4 s ILE 64 Cb 0.00 -2.40 -0.14 0.00 0.01 0.00 0.00 42.46 39.93 2gi4 s ILE 64 CO 0.00 0.56 2.12 -1.61 0.00 0.00 0.00 174.94 176.01 2gi4 s GLU 65 N -0.29 1.82 0.29 2.79 2.02 -1.26 -4.52 118.70 119.54 2gi4 s GLU 65 Ca 0.03 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.67 2gi4 s GLU 65 Cb -0.13 -5.01 0.00 0.00 0.10 0.00 0.00 34.13 29.10 2gi4 s GLU 65 CO 0.03 -4.54 0.00 -2.39 0.02 0.00 0.00 175.26 168.38 2gi4 n HIS 66 N 17.26 -3.11 -2.51 1.61 1.44 -1.26 -5.00 115.22 123.64 2gi4 n HIS 66 Ca 0.43 1.63 -0.01 0.00 -2.01 0.00 0.00 57.72 57.77 2gi4 n HIS 66 Cb 0.46 -2.86 0.03 0.00 0.12 0.00 0.00 29.99 27.74 2gi4 n HIS 66 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2gi4 n LYS 67 N -0.25 0.73 -2.69 -1.40 4.01 -1.26 -4.94 118.16 112.35 2gi4 n LYS 67 Ca 0.00 -2.04 -0.06 0.00 -0.51 0.00 0.00 58.31 55.69 2gi4 n LYS 67 Cb 0.00 -0.25 0.09 0.00 -0.51 0.00 0.00 35.03 34.36 2gi4 n LYS 67 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2gi4 n ASN 68 N -0.30 -1.77 -4.56 4.39 0.23 -1.26 -4.85 115.26 107.14 2gi4 n ASN 68 Ca -0.06 -2.62 -0.40 0.00 -0.53 0.00 0.00 54.58 50.97 2gi4 n ASN 68 Cb 0.90 1.37 -0.03 0.00 -2.08 0.00 0.00 39.78 39.95 2gi4 n ASN 68 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2gi4 s PHE 69 N 0.16 2.50 -0.23 -2.53 2.19 -1.26 -4.74 117.98 114.07 2gi4 s PHE 69 Ca 0.19 -0.84 -0.04 0.00 0.33 0.00 0.00 56.93 56.56 2gi4 s PHE 69 Cb 0.28 -4.64 0.12 0.00 -1.31 0.00 0.00 43.02 37.48 2gi4 s PHE 69 CO -0.09 -1.88 0.42 -0.08 1.83 0.00 0.00 175.22 175.42 2gi4 s THR 70 N 5.42 -0.66 -0.19 0.12 -1.32 -0.85 -5.00 115.64 113.15 2gi4 s THR 70 Ca 0.50 0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.72 2gi4 s THR 70 Cb 0.00 -0.78 -0.06 0.00 -1.51 0.00 0.00 72.50 70.16 2gi4 s THR 70 CO -0.05 -0.04 2.19 -1.54 -2.21 0.00 0.00 174.62 172.98 2gi4 n SER 71 N 5.38 3.32 -4.25 8.08 3.41 -1.26 -4.42 113.62 123.88 2gi4 n SER 71 Ca -0.05 0.30 -0.32 0.00 -0.26 0.00 0.00 58.87 58.53 2gi4 n SER 71 Cb 0.50 -1.54 -0.17 0.00 -0.26 0.00 0.00 64.21 62.74 2gi4 n SER 71 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2gi4 s LYS 72 N 6.12 2.96 -0.31 4.33 1.02 -0.53 -4.93 119.74 128.41 2gi4 s LYS 72 Ca 1.00 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 56.14 2gi4 s LYS 72 Cb -0.37 -2.30 0.09 0.00 -0.52 0.00 0.00 37.83 34.72 2gi4 s LYS 72 CO 0.37 0.24 0.05 -1.59 -0.92 0.00 0.00 175.35 173.49 2gi4 s LYS 73 N 0.21 1.19 -0.29 1.68 -2.85 -1.26 -3.09 119.74 115.32 2gi4 s LYS 73 Ca -0.14 -1.36 -0.35 0.00 -1.00 0.00 0.00 55.97 53.12 2gi4 s LYS 73 Cb -0.17 -2.58 -0.11 0.00 -2.06 0.00 0.00 37.83 32.91 2gi4 s LYS 73 CO 0.07 -0.89 2.10 -0.11 0.10 0.00 0.00 175.35 176.63 2gi4 n LEU 74 N 4.58 2.43 0.00 2.77 0.00 -0.31 -4.84 117.00 121.63 2gi4 n LEU 74 Ca -0.02 0.55 -0.01 0.00 0.00 0.00 0.00 56.01 56.53 2gi4 n LEU 74 Cb 0.42 -1.29 -0.00 0.00 0.00 0.00 0.00 43.42 42.56 2gi4 n LEU 74 CO 0.17 -0.60 -0.00 0.41 0.00 0.00 0.00 177.39 177.37 2gi4 n THR 75 N 6.67 0.00 0.11 1.96 -1.04 -1.26 -4.74 114.28 115.98 2gi4 n THR 75 Ca 0.36 -0.10 -0.03 0.00 -2.04 0.00 0.00 64.05 62.24 2gi4 n THR 75 Cb 0.24 -0.27 0.15 0.00 -1.82 0.00 0.00 70.33 68.63 2gi4 n THR 75 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2gi4 h GLN 76 N 0.00 0.13 0.06 -2.82 4.20 -1.98 -2.04 115.11 112.66 2gi4 h GLN 76 Ca -0.02 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2gi4 h GLN 76 Cb 0.05 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2gi4 h GLN 76 CO 0.03 0.69 -0.04 0.87 -0.67 0.00 0.00 178.83 179.71 2gi4 h LYS 77 N 0.10 -0.09 -0.15 1.46 1.57 -1.98 -0.18 116.57 117.30 2gi4 h LYS 77 Ca -0.01 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2gi4 h LYS 77 Cb 1.09 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2gi4 h LYS 77 CO 0.09 -0.06 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.34 2gi4 h LEU 78 N -0.10 0.68 -0.53 2.94 3.38 -1.95 -3.20 115.31 116.53 2gi4 h LEU 78 Ca -0.00 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.40 2gi4 h LEU 78 Cb 0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2gi4 h LEU 78 CO 0.00 1.17 0.29 0.00 0.09 0.00 0.00 178.44 179.99 2gi4 h ASP 80 N 0.57 0.00 0.00 0.00 3.32 -1.08 -3.08 116.42 116.15 2gi4 h ASP 80 Ca 0.23 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2gi4 h ASP 80 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2gi4 h ASP 80 CO -0.13 0.00 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.01 2gi4 h GLU 81 N 0.00 0.00 -6.99 3.56 4.39 -1.12 -3.46 114.58 110.95 2gi4 h GLU 81 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 2gi4 h GLU 81 Cb 0.11 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 28.87 2gi4 h GLU 81 CO 0.00 0.14 0.62 -1.12 -1.16 0.00 0.00 179.01 177.49 2gi4 s SER 82 N -5.66 5.88 -0.10 1.42 0.01 -0.97 -4.78 113.70 109.49 2gi4 s SER 82 Ca -0.04 2.73 0.15 0.00 1.31 0.00 0.00 55.95 60.10 2gi4 s SER 82 Cb -0.00 -2.64 -0.23 0.00 0.21 0.00 0.00 66.02 63.36 2gi4 s SER 82 CO 0.11 -1.15 0.43 0.47 0.41 0.00 0.00 173.24 173.51 2gi4 n ASP 83 N -0.35 0.49 -4.15 2.44 8.00 0.15 -4.86 116.55 118.27 2gi4 n ASP 83 Ca 0.06 0.23 -0.33 0.00 0.71 0.00 0.00 54.79 55.46 2gi4 n ASP 83 Cb 0.44 0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 41.82 2gi4 n ASP 83 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2gi4 s PHE 84 N -2.60 2.82 -0.26 1.24 0.40 -0.97 -5.00 117.98 113.61 2gi4 s PHE 84 Ca -0.07 -1.55 -0.07 0.00 -0.60 0.00 0.00 56.93 54.64 2gi4 s PHE 84 Cb 0.07 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 2gi4 s PHE 84 CO 0.83 -0.77 0.07 -0.51 0.70 0.00 0.00 175.22 175.53 2gi4 s LEU 85 N 1.32 3.48 -0.21 -0.37 1.02 -0.67 -1.13 118.68 122.13 2gi4 s LEU 85 Ca 0.05 -0.31 -0.01 0.00 0.02 0.00 0.00 54.13 53.87 2gi4 s LEU 85 Cb -0.13 -1.90 0.01 0.00 0.02 0.00 0.00 46.19 44.18 2gi4 s LEU 85 CO -0.11 -0.07 -0.12 -0.63 0.02 0.00 0.00 176.35 175.44 2gi4 s ILE 86 N 1.59 2.69 0.02 -0.59 1.01 -0.88 -0.41 121.20 124.63 2gi4 s ILE 86 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2gi4 s ILE 86 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2gi4 s ILE 86 CO 0.03 0.44 -0.03 0.42 0.00 0.00 0.00 174.94 175.80 2gi4 s THR 87 N 1.37 3.88 -0.03 2.92 -4.23 0.36 -2.04 115.64 117.88 2gi4 s THR 87 Ca 0.05 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 2gi4 s THR 87 Cb -0.14 -2.74 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 2gi4 s THR 87 CO -0.08 0.33 0.07 0.23 -0.54 0.00 0.00 174.62 174.63 2gi4 n MET 88 N 1.30 1.59 -2.77 3.99 0.00 -1.25 -2.18 117.12 117.80 2gi4 n MET 88 Ca -0.14 -0.03 -0.41 0.00 0.00 0.00 0.00 57.70 57.12 2gi4 n MET 88 Cb 0.52 -1.13 -0.04 0.00 0.00 0.00 0.00 33.22 32.57 2gi4 n MET 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2gi4 s ASP 89 N -3.09 7.42 0.12 7.83 1.11 -1.26 -4.39 116.67 124.41 2gi4 s ASP 89 Ca -0.02 1.71 -0.20 0.00 0.18 0.00 0.00 52.55 54.22 2gi4 s ASP 89 Cb 0.03 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2gi4 s ASP 89 CO 0.22 -0.08 1.74 0.78 1.18 0.00 0.00 175.17 179.01 2gi4 h ASN 90 N 5.80 0.05 0.49 0.27 4.21 -1.94 -2.17 115.58 122.29 2gi4 h ASN 90 Ca -0.43 0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.04 2gi4 h ASN 90 Cb 1.21 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 2gi4 h ASN 90 CO 0.72 0.06 -0.28 0.77 -1.29 0.00 0.00 177.43 177.40 2gi4 h SER 91 N 0.14 0.00 -0.96 5.81 4.64 -2.01 -2.97 113.55 118.20 2gi4 h SER 91 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2gi4 h SER 91 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 2gi4 h SER 91 CO -0.09 0.28 0.60 -1.13 -0.87 0.00 0.00 176.83 175.62 2gi4 h ASN 92 N 0.00 1.15 0.34 4.97 -0.73 -1.79 -0.29 115.58 119.22 2gi4 h ASN 92 Ca -0.00 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 2gi4 h ASN 92 Cb 0.60 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2gi4 h ASN 92 CO 0.04 0.87 -0.16 0.15 -0.37 0.00 0.00 177.43 177.95 2gi4 h PHE 93 N 1.32 -0.43 -0.38 0.67 3.57 -1.35 -0.36 116.94 119.98 2gi4 h PHE 93 Ca 0.35 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2gi4 h PHE 93 Cb -0.08 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2gi4 h PHE 93 CO 0.00 -0.19 0.01 -0.22 -2.23 0.00 0.00 178.31 175.68 2gi4 h LYS 94 N -0.57 0.60 0.43 1.11 3.64 -1.60 -2.01 116.57 118.17 2gi4 h LYS 94 Ca -0.05 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2gi4 h LYS 94 Cb 0.42 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2gi4 h LYS 94 CO 0.08 0.62 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.76 2gi4 h ASN 95 N 0.57 -0.49 0.02 4.20 4.21 -0.92 -3.08 115.58 120.10 2gi4 h ASN 95 Ca 0.12 -0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 2gi4 h ASN 95 Cb 0.35 0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2gi4 h ASN 95 CO 0.01 -0.11 -0.01 0.58 -1.29 0.00 0.00 177.43 176.61 2gi4 h VAL 96 N -0.93 0.49 -0.52 2.81 2.07 -1.05 0.50 116.25 119.63 2gi4 h VAL 96 Ca -0.06 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2gi4 h VAL 96 Cb 0.57 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2gi4 h VAL 96 CO 0.10 0.01 0.21 0.25 0.02 0.00 0.00 177.57 178.16 2gi4 h LEU 97 N 0.00 0.25 0.00 2.57 5.85 -1.27 -2.75 115.31 119.96 2gi4 h LEU 97 Ca -0.00 0.05 -0.31 0.00 0.84 0.00 0.00 57.88 58.46 2gi4 h LEU 97 Cb 0.02 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2gi4 h LEU 97 CO 0.00 0.17 -2.18 0.29 -0.34 0.00 0.00 178.44 176.38 2gi4 n LYS 98 N -4.97 1.17 -0.20 1.25 4.76 -1.03 -4.48 118.16 114.66 2gi4 n LYS 98 Ca 0.06 -0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.57 2gi4 n LYS 98 Cb 0.19 -1.44 0.36 0.00 -1.84 0.00 0.00 35.03 32.31 2gi4 n LYS 98 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 2gi4 h ASN 99 N 0.00 0.66 -1.09 4.39 -0.00 -0.94 -3.43 115.58 115.16 2gi4 h ASN 99 Ca -0.47 0.01 -0.54 0.00 -0.00 0.00 0.00 56.30 55.31 2gi4 h ASN 99 Cb 2.04 -0.13 -0.04 0.00 -0.00 0.00 0.00 38.32 40.19 2gi4 h ASN 99 CO 0.02 0.41 -0.34 -0.36 -0.00 0.00 0.00 177.43 177.15 2gi4 s PHE 100 N -5.67 2.17 0.00 0.67 0.40 -1.04 -5.05 117.98 109.47 2gi4 s PHE 100 Ca -0.10 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2gi4 s PHE 100 Cb 0.20 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2gi4 s PHE 100 CO 0.78 -0.30 0.00 2.41 0.70 0.00 0.00 175.22 178.81 2gi4 n THR 101 N -1.65 0.00 0.60 0.64 -1.04 -1.26 -4.78 114.28 106.79 2gi4 n THR 101 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2gi4 n THR 101 Cb 0.63 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 2gi4 n THR 101 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2gi4 n ASN 102 N -2.54 0.01 -0.68 8.00 4.05 -1.26 -2.46 115.26 120.38 2gi4 n ASN 102 Ca 0.00 -0.61 0.07 0.00 0.45 0.00 0.00 54.58 54.49 2gi4 n ASN 102 Cb 0.00 -0.01 0.20 0.00 1.23 0.00 0.00 39.78 41.21 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 2gi4 n THR 103 N -0.46 0.46 0.72 -0.44 5.66 -1.26 -3.86 114.28 115.09 2gi4 n THR 103 Ca 0.00 -0.48 0.11 0.00 -3.05 0.00 0.00 64.05 60.63 2gi4 n THR 103 Cb 0.00 0.28 0.48 0.00 -1.55 0.00 0.00 70.33 69.54 2gi4 n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gi4 n GLN 104 N 0.57 0.05 0.00 1.09 -0.00 -1.03 -2.90 117.38 115.17 2gi4 n GLN 104 Ca 0.13 0.15 0.09 0.00 -0.00 0.00 0.00 57.00 57.38 2gi4 n GLN 104 Cb 0.32 -1.58 0.56 0.00 -0.00 0.00 0.00 30.24 29.55 2gi4 n GLN 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2gi4 n ASN 105 N -1.67 0.00 -1.15 2.61 2.85 -1.25 -2.44 115.26 114.21 2gi4 n ASN 105 Ca 0.05 -0.78 0.07 0.00 -0.11 0.00 0.00 54.58 53.81 2gi4 n ASN 105 Cb 0.28 0.00 0.29 0.00 1.24 0.00 0.00 39.78 41.59 2gi4 n ASN 105 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2gi4 n LYS 106 N -0.93 3.26 -3.65 1.20 5.02 -1.14 -4.99 118.16 116.93 2gi4 n LYS 106 Ca 0.14 -2.94 -0.34 0.00 -2.02 0.00 0.00 58.31 53.15 2gi4 n LYS 106 Cb 0.07 -1.94 -0.05 0.00 -0.02 0.00 0.00 35.03 33.08 2gi4 n LYS 106 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2gi4 s VAL 107 N -2.86 5.17 0.33 -0.18 -7.23 -1.02 -1.66 120.40 112.95 2gi4 s VAL 107 Ca 0.45 0.32 0.10 0.00 -1.81 0.00 0.00 61.98 61.04 2gi4 s VAL 107 Cb 0.37 -3.62 -0.06 0.00 0.56 0.00 0.00 36.38 33.63 2gi4 s VAL 107 CO 0.10 0.30 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.34 2gi4 s LEU 108 N -1.92 2.79 0.03 1.32 1.02 0.45 -4.92 118.68 117.45 2gi4 s LEU 108 Ca 0.32 -1.11 0.08 0.00 0.02 0.00 0.00 54.13 53.44 2gi4 s LEU 108 Cb -0.14 -1.12 -0.02 0.00 0.02 0.00 0.00 46.19 44.93 2gi4 s LEU 108 CO 0.18 -0.17 -0.23 -0.54 0.02 0.00 0.00 176.35 175.61 2gi4 s LYS 109 N -3.62 1.60 0.16 1.70 1.02 -1.22 -0.48 119.74 118.89 2gi4 s LYS 109 Ca 0.33 -0.96 0.23 0.00 0.02 0.00 0.00 55.97 55.59 2gi4 s LYS 109 Cb 0.01 -1.70 0.90 0.00 -0.52 0.00 0.00 37.83 36.51 2gi4 s LYS 109 CO 0.17 0.44 1.70 1.51 -0.92 0.00 0.00 175.35 178.25 2gi4 n ILE 110 N 1.98 0.71 -0.10 2.17 0.13 -0.92 -2.96 119.36 120.36 2gi4 n ILE 110 Ca -0.17 0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 2gi4 n ILE 110 Cb 0.53 -0.91 0.29 0.00 -0.84 0.00 0.00 39.64 38.70 2gi4 n ILE 110 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 2gi4 h THR 111 N 0.00 1.18 0.00 9.51 2.02 -1.87 0.85 112.91 124.60 2gi4 h THR 111 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2gi4 h THR 111 Cb 0.44 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2gi4 h THR 111 CO 0.00 0.21 -0.10 -0.78 0.37 0.00 0.00 175.52 175.22 2gi4 h ASP 112 N 0.75 0.00 0.00 4.18 3.58 -1.95 -3.19 116.42 119.79 2gi4 h ASP 112 Ca 0.19 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2gi4 h ASP 112 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2gi4 h ASP 112 CO -0.03 0.01 -1.33 0.49 -2.88 0.00 0.00 179.24 175.51 2gi4 n PHE 113 N -2.46 0.00 -4.85 0.28 3.72 -0.43 -4.90 117.46 108.83 2gi4 n PHE 113 Ca 0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 2gi4 n PHE 113 Cb 0.46 -0.17 -0.16 0.00 -0.94 0.00 0.00 39.48 38.67 2gi4 n PHE 113 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2gi4 s SER 114 N -3.48 3.52 0.00 4.37 0.01 0.28 -4.88 113.70 113.52 2gi4 s SER 114 Ca 0.02 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2gi4 s SER 114 Cb 0.15 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2gi4 s SER 114 CO 0.86 0.13 0.00 -0.81 0.41 0.00 0.00 173.24 173.83 2gi4 n PRO 115 N 3.72 0.00 -0.84 12.44 -0.04 -1.26 -4.63 135.00 144.38 2gi4 n PRO 115 Ca -0.19 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 2gi4 n PRO 115 Cb 0.52 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.22 2gi4 n PRO 115 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gi4 n SER 116 N 0.00 4.20 -0.03 3.54 7.64 -1.26 -4.44 113.62 123.27 2gi4 n SER 116 Ca 0.00 -3.00 -0.13 0.00 1.01 0.00 0.00 58.87 56.74 2gi4 n SER 116 Cb 0.00 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 2gi4 n SER 116 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2gi4 h LEU 117 N 2.10 0.10 -2.73 -3.43 5.85 -1.99 -3.48 115.31 111.74 2gi4 h LEU 117 Ca 0.25 -0.53 -0.30 0.00 0.84 0.00 0.00 57.88 58.14 2gi4 h LEU 117 Cb 2.08 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 43.10 2gi4 h LEU 117 CO 0.63 0.61 -0.93 -3.20 -0.34 0.00 0.00 178.44 175.21 2gi4 n ASN 118 N -4.76 -4.13 -3.70 1.25 2.85 -1.26 -4.97 115.26 100.54 2gi4 n ASN 118 Ca -0.08 -0.14 -0.13 0.00 -0.11 0.00 0.00 54.58 54.12 2gi4 n ASN 118 Cb 0.30 -1.21 0.02 0.00 1.24 0.00 0.00 39.78 40.14 2gi4 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2gi4 n TYR 119 N -0.17 -1.85 -3.90 1.20 4.11 -1.26 -5.12 117.16 110.16 2gi4 n TYR 119 Ca -0.07 -1.30 -0.30 0.00 -0.00 0.00 0.00 57.90 56.23 2gi4 n TYR 119 Cb 0.52 -0.30 -0.16 0.00 -0.00 0.00 0.00 39.34 39.41 2gi4 n TYR 119 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2gi4 s ASP 120 N -3.01 3.80 0.00 9.48 1.01 -1.26 -4.99 116.67 121.70 2gi4 s ASP 120 Ca 0.28 -1.22 0.00 0.00 0.71 0.00 0.00 52.55 52.32 2gi4 s ASP 120 Cb -0.02 -1.11 0.00 0.00 1.01 0.00 0.00 42.92 42.80 2gi4 s ASP 120 CO 0.18 -0.26 0.00 -0.62 0.21 0.00 0.00 175.17 174.67 2gi4 n GLU 121 N 4.71 -0.02 -1.27 8.23 4.71 -1.26 -4.47 120.64 131.27 2gi4 n GLU 121 Ca -0.10 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 2gi4 n GLU 121 Cb 0.44 -0.04 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 2gi4 n GLU 121 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2gi4 n VAL 122 N 0.68 -4.36 0.00 2.62 0.31 -1.26 -4.91 118.33 111.41 2gi4 n VAL 122 Ca 0.00 1.87 0.00 0.00 -0.01 0.00 0.00 64.34 66.20 2gi4 n VAL 122 Cb 0.01 -2.64 0.00 0.00 -0.91 0.00 0.00 33.84 30.31 2gi4 n VAL 122 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2gi4 n PRO 123 N -0.41 1.17 -0.96 5.55 -0.04 -1.26 -4.59 135.00 134.46 2gi4 n PRO 123 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2gi4 n PRO 123 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 2gi4 n PRO 123 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gi4 n ASP 124 N 0.00 -5.19 0.29 3.54 -0.08 -1.25 -3.68 116.55 110.19 2gi4 n ASP 124 Ca 0.00 1.05 0.16 0.00 -1.51 0.00 0.00 54.79 54.49 2gi4 n ASP 124 Cb 0.00 -3.09 0.89 0.00 2.34 0.00 0.00 41.12 41.27 2gi4 n ASP 124 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2gi4 h PRO 125 N -0.52 0.00 0.00 -0.67 0.13 -1.55 -0.03 132.00 129.36 2gi4 h PRO 125 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2gi4 h PRO 125 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 2gi4 h PRO 125 CO 0.03 0.05 -0.13 2.35 -0.23 0.00 0.00 178.00 180.07 2gi4 h TRP 126 N 0.00 0.00 0.00 1.56 2.91 -1.88 -2.74 115.95 115.80 2gi4 h TRP 126 Ca -0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 2gi4 h TRP 126 Cb 0.16 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.81 2gi4 h TRP 126 CO 0.00 0.13 -0.75 0.66 -1.03 0.00 0.00 178.44 177.45 2gi4 n TYR 127 N -3.55 0.00 -0.07 2.65 4.01 -0.74 -4.89 117.16 114.57 2gi4 n TYR 127 Ca -0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 2gi4 n TYR 127 Cb 0.27 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 2gi4 n TYR 127 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2gi4 h SER 128 N -0.59 0.00 0.00 7.72 0.02 -1.16 -3.48 113.55 116.05 2gi4 h SER 128 Ca -0.05 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2gi4 h SER 128 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2gi4 h SER 128 CO -0.03 0.80 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 2gi4 n GLY 129 N 1.64 -0.28 3.12 -3.77 0.00 -1.03 -4.95 105.19 99.92 2gi4 n GLY 129 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2gi4 n GLY 129 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gi4 s ASN 130 N 0.00 0.89 0.15 1.61 2.47 -1.26 -4.63 114.94 114.16 2gi4 s ASN 130 Ca 0.00 -0.88 0.26 0.00 0.42 0.00 0.00 52.86 52.65 2gi4 s ASN 130 Cb 0.00 0.11 0.65 0.00 -1.45 0.00 0.00 41.25 40.56 2gi4 s ASN 130 CO 0.00 -0.43 1.60 0.49 -3.72 0.00 0.00 177.10 175.03 2gi4 n PHE 131 N 0.38 0.66 0.19 0.43 3.72 -1.26 -1.58 117.46 120.00 2gi4 n PHE 131 Ca -0.15 0.19 0.07 0.00 -0.05 0.00 0.00 57.45 57.51 2gi4 n PHE 131 Cb 0.59 -0.76 0.25 0.00 -0.94 0.00 0.00 39.48 38.62 2gi4 n PHE 131 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2gi4 h ASP 132 N 0.00 0.00 -1.01 4.37 3.58 -1.96 -3.18 116.42 118.22 2gi4 h ASP 132 Ca 0.00 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.51 2gi4 h ASP 132 Cb 0.71 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.69 2gi4 h ASP 132 CO 0.00 0.32 0.65 -0.33 -2.88 0.00 0.00 179.24 177.00 2gi4 h GLU 133 N 0.00 1.17 -0.51 0.28 4.39 -1.93 -2.56 114.58 115.42 2gi4 h GLU 133 Ca -0.00 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.72 2gi4 h GLU 133 Cb 1.04 -0.26 -0.10 0.00 -0.10 0.00 0.00 28.75 29.32 2gi4 h GLU 133 CO 0.04 0.78 -0.37 1.15 -1.16 0.00 0.00 179.01 179.44 2gi4 h THR 134 N 1.21 0.15 -0.49 1.13 2.02 -1.77 0.09 112.91 115.25 2gi4 h THR 134 Ca 0.43 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.57 2gi4 h THR 134 Cb 0.12 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2gi4 h THR 134 CO -0.16 0.00 0.17 0.22 0.37 0.00 0.00 175.52 176.12 2gi4 h TYR 135 N -0.23 0.77 0.21 3.16 3.20 -1.67 0.06 116.97 122.46 2gi4 h TYR 135 Ca 0.19 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2gi4 h TYR 135 Cb 0.56 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 2gi4 h TYR 135 CO -0.63 0.66 -0.38 -0.22 -1.64 0.00 0.00 178.16 175.96 2gi4 h LYS 136 N 0.65 -0.64 0.06 1.82 3.64 -0.83 0.92 116.57 122.19 2gi4 h LYS 136 Ca 0.16 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2gi4 h LYS 136 Cb 0.24 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2gi4 h LYS 136 CO -0.01 -0.43 -0.03 0.82 -2.27 0.00 0.00 179.45 177.53 2gi4 h ILE 137 N -0.66 1.24 0.19 2.00 1.08 -1.04 -2.44 117.51 117.87 2gi4 h ILE 137 Ca 0.01 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.31 2gi4 h ILE 137 Cb 0.66 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 36.36 2gi4 h ILE 137 CO -0.17 0.29 -0.33 -0.07 -0.69 0.00 0.00 178.15 177.18 2gi4 h LEU 138 N -0.63 -0.93 -0.25 1.44 -0.00 -0.99 0.27 115.31 114.22 2gi4 h LEU 138 Ca -0.01 0.10 0.01 0.00 -0.00 0.00 0.00 57.88 57.98 2gi4 h LEU 138 Cb 0.53 0.34 -0.02 0.00 -0.00 0.00 0.00 40.66 41.51 2gi4 h LEU 138 CO 0.01 -0.43 0.13 0.77 -0.00 0.00 0.00 178.44 178.93 2gi4 h SER 139 N -0.60 0.20 0.55 -0.43 4.64 -0.93 -0.48 113.55 116.51 2gi4 h SER 139 Ca 0.01 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2gi4 h SER 139 Cb 0.60 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2gi4 h SER 139 CO -0.15 0.15 -0.26 0.25 -0.87 0.00 0.00 176.83 175.95 2gi4 h LEU 140 N 0.28 -0.63 -0.32 5.97 5.85 -1.28 -1.63 115.31 123.55 2gi4 h LEU 140 Ca 0.10 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2gi4 h LEU 140 Cb 0.02 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2gi4 h LEU 140 CO -0.06 -0.25 -0.02 0.00 -0.34 0.00 0.00 178.44 177.78 2gi4 h ALA 141 N -0.90 0.28 -0.61 1.25 0.00 -0.50 -1.09 119.26 117.69 2gi4 h ALA 141 Ca -0.08 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2gi4 h ALA 141 Cb 0.63 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2gi4 h ALA 141 CO 0.12 -0.42 0.18 0.00 0.00 0.00 0.00 179.25 179.14 2gi4 h LYS 143 N 0.88 -1.02 -0.47 0.00 1.57 -0.89 0.12 116.57 116.76 2gi4 h LYS 143 Ca 0.20 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.13 2gi4 h LYS 143 Cb 0.31 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 2gi4 h LYS 143 CO -0.00 -0.68 0.06 -0.97 -0.57 0.00 0.00 179.45 177.28 2gi4 h ASN 144 N -1.12 -0.07 -0.13 0.86 -0.73 -1.26 0.02 115.58 113.14 2gi4 h ASN 144 Ca -0.11 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.13 2gi4 h ASN 144 Cb 0.81 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 2gi4 h ASN 144 CO 0.18 -0.01 0.03 0.25 -0.37 0.00 0.00 177.43 177.51 2gi4 h LEU 145 N 0.18 0.27 -0.83 0.34 5.85 -1.25 -2.04 115.31 117.84 2gi4 h LEU 145 Ca 0.23 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2gi4 h LEU 145 Cb 0.32 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2gi4 h LEU 145 CO -0.33 0.30 0.00 0.25 -0.34 0.00 0.00 178.44 178.32 2gi4 h LEU 146 N 0.30 0.85 0.17 2.25 5.85 0.12 0.77 115.31 125.62 2gi4 h LEU 146 Ca 0.07 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2gi4 h LEU 146 Cb 0.16 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2gi4 h LEU 146 CO 0.00 0.91 -0.08 0.58 -0.34 0.00 0.00 178.44 179.51 2gi4 h VAL 147 N 0.82 0.94 -0.32 1.05 2.07 -0.66 -1.64 116.25 118.51 2gi4 h VAL 147 Ca 0.16 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2gi4 h VAL 147 Cb 0.48 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2gi4 h VAL 147 CO 0.02 0.18 0.09 0.15 0.02 0.00 0.00 177.57 178.04 2gi4 h PHE 148 N -0.66 0.52 -0.59 1.57 3.57 -1.44 -0.46 116.94 119.45 2gi4 h PHE 148 Ca -0.02 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2gi4 h PHE 148 Cb 0.48 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2gi4 h PHE 148 CO 0.05 0.54 0.33 1.25 -2.23 0.00 0.00 178.31 178.25 2gi4 h LEU 149 N 0.36 0.72 -1.59 0.59 7.12 -0.92 -0.69 115.31 120.90 2gi4 h LEU 149 Ca 0.10 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2gi4 h LEU 149 Cb 0.27 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.21 2gi4 h LEU 149 CO -0.00 0.58 0.00 -1.54 -0.13 0.00 0.00 178.44 177.35 2gi4 n SER 150 N -4.39 2.33 -2.60 1.25 3.41 -0.62 -5.00 113.62 108.01 2gi4 n SER 150 Ca 0.06 -1.95 -0.06 0.00 -0.26 0.00 0.00 58.87 56.66 2gi4 n SER 150 Cb 0.09 -0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 2gi4 n SER 150 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2gi4 n LYS 151 N 0.77 -4.69 -1.60 4.33 4.81 -0.26 -4.91 118.16 116.61 2gi4 n LYS 151 Ca 0.15 3.52 -0.37 0.00 -0.87 0.00 0.00 58.31 60.74 2gi4 n LYS 151 Cb 0.38 -5.12 0.07 0.00 0.02 0.00 0.00 35.03 30.38 2gi4 n LYS 151 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2gi4 n HIS 152 N 1.73 1.18 -2.73 5.64 1.44 -0.73 -4.94 115.22 116.81 2gi4 n HIS 152 Ca -0.43 0.42 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 2gi4 n HIS 152 Cb 0.67 -2.17 0.09 0.00 0.12 0.00 0.00 29.99 28.70 2gi4 n HIS 152 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2gi4 n HIS 153 N -2.00 -2.81 0.00 -1.40 -0.00 -1.26 -5.05 115.22 102.70 2gi4 n HIS 153 Ca 0.15 -2.13 0.00 0.00 0.46 0.00 0.00 57.72 56.20 2gi4 n HIS 153 Cb 0.48 1.61 0.00 0.00 -0.12 0.00 0.00 29.99 31.97 2gi4 n HIS 153 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2gi4 n HIS 154 N 0.27 0.00 -3.87 1.57 -0.00 -1.26 -5.04 115.22 106.90 2gi4 n HIS 154 Ca 0.05 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.94 2gi4 n HIS 154 Cb 0.71 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.43 2gi4 n HIS 154 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2gi4 s HIS 155 N 0.00 2.10 -0.03 1.57 5.65 -1.26 -5.37 115.29 117.95 2gi4 s HIS 155 Ca 0.00 -1.67 0.00 0.00 0.25 0.00 0.00 55.06 53.65 2gi4 s HIS 155 Cb 0.00 -1.60 0.00 0.00 -1.18 0.00 0.00 32.58 29.80 2gi4 s HIS 155 CO 0.00 -0.77 0.51 1.58 -0.65 0.00 0.00 174.74 175.40