#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 3.06 -0.10 0.03 2.47 -1.26 -5.06 119.74 118.87 2gi4 s LYS 2 Ca 0.00 -0.80 0.00 0.00 -1.56 0.00 0.00 55.97 53.61 2gi4 s LYS 2 Cb 0.00 -2.62 0.02 0.00 -1.46 0.00 0.00 37.83 33.77 2gi4 s LYS 2 CO 0.00 -0.18 -0.09 0.15 0.16 0.00 0.00 175.35 175.39 2gi4 s LYS 3 N 1.25 1.59 -0.29 4.03 1.02 -1.24 -0.80 119.74 125.31 2gi4 s LYS 3 Ca 0.04 -0.30 0.01 0.00 0.02 0.00 0.00 55.97 55.73 2gi4 s LYS 3 Cb -0.13 -1.55 0.08 0.00 -0.52 0.00 0.00 37.83 35.71 2gi4 s LYS 3 CO -0.10 -0.19 0.03 0.42 -0.92 0.00 0.00 175.35 174.59 2gi4 s ILE 4 N 1.42 1.50 -0.25 2.17 1.09 -0.81 -1.54 121.20 124.78 2gi4 s ILE 4 Ca -0.00 -1.58 -0.26 0.00 -1.10 0.00 0.00 60.65 57.72 2gi4 s ILE 4 Cb -0.13 -1.98 -0.00 0.00 -1.06 0.00 0.00 42.46 39.28 2gi4 s ILE 4 CO -0.05 -0.43 0.88 -0.22 -0.10 0.00 0.00 174.94 175.02 2gi4 s LEU 5 N 1.34 4.08 0.05 2.97 0.20 -0.15 -0.75 118.68 126.41 2gi4 s LEU 5 Ca 0.04 1.06 -0.18 0.00 0.69 0.00 0.00 54.13 55.74 2gi4 s LEU 5 Cb -0.18 -3.26 -0.06 0.00 -0.43 0.00 0.00 46.19 42.25 2gi4 s LEU 5 CO -0.13 -0.58 0.52 -0.36 -0.29 0.00 0.00 176.35 175.52 2gi4 s PHE 6 N 2.98 3.78 -0.23 5.38 0.40 0.07 -1.98 117.98 128.38 2gi4 s PHE 6 Ca 0.37 1.19 -0.01 0.00 -0.60 0.00 0.00 56.93 57.88 2gi4 s PHE 6 Cb -0.15 -2.45 0.06 0.00 0.51 0.00 0.00 43.02 41.00 2gi4 s PHE 6 CO 0.08 0.59 -0.00 0.42 0.70 0.00 0.00 175.22 177.01 2gi4 s ILE 7 N -1.04 1.08 -0.18 0.64 1.01 -0.20 -1.44 121.20 121.07 2gi4 s ILE 7 Ca 0.28 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 2gi4 s ILE 7 Cb -0.19 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 2gi4 s ILE 7 CO 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 174.94 174.83 2gi4 h LEU 9 N 7.45 0.06 -6.93 0.00 7.12 -1.87 -3.34 115.31 117.81 2gi4 h LEU 9 Ca -0.35 0.00 -0.59 0.00 0.13 0.00 0.00 57.88 57.07 2gi4 h LEU 9 Cb 1.18 -0.01 -0.40 0.00 -0.53 0.00 0.00 40.66 40.90 2gi4 h LEU 9 CO 0.59 0.04 -0.77 -0.83 -0.13 0.00 0.00 178.44 177.34 2gi4 s GLY 10 N -4.00 1.18 0.00 3.75 0.00 -1.26 -4.72 107.32 102.27 2gi4 s GLY 10 Ca -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.68 2gi4 s GLY 10 CO 0.71 1.74 0.63 0.70 0.00 0.00 0.00 173.10 176.88 2gi4 n ASN 11 N 4.23 1.53 -0.57 1.64 4.13 -1.25 -3.15 115.26 121.83 2gi4 n ASN 11 Ca 0.05 -1.94 0.08 0.00 1.68 0.00 0.00 54.58 54.45 2gi4 n ASN 11 Cb 0.38 -0.49 0.20 0.00 -1.54 0.00 0.00 39.78 38.34 2gi4 n ASN 11 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2gi4 n ILE 12 N 0.16 2.01 0.00 2.41 -0.00 -1.26 -2.81 119.36 119.87 2gi4 n ILE 12 Ca 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 62.75 60.84 2gi4 n ILE 12 Cb 0.31 -0.16 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 2gi4 n ILE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gi4 h ARG 14 N 0.00 0.49 -0.24 0.00 0.11 -1.90 -3.18 114.38 109.66 2gi4 h ARG 14 Ca 0.00 -0.65 0.05 0.00 0.10 0.00 0.00 59.98 59.49 2gi4 h ARG 14 Cb 0.00 0.21 -0.05 0.00 1.11 0.00 0.00 29.97 31.24 2gi4 h ARG 14 CO 0.00 1.27 -0.09 1.03 0.10 0.00 0.00 179.97 182.28 2gi4 h SER 15 N 0.02 -0.32 -0.58 0.08 0.87 -1.85 -1.58 113.55 110.19 2gi4 h SER 15 Ca -0.14 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2gi4 h SER 15 Cb 1.67 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.79 2gi4 h SER 15 CO 0.18 -0.12 0.22 1.55 -0.53 0.00 0.00 176.83 178.13 2gi4 h PRO 16 N -0.05 0.87 0.52 2.24 0.13 -1.71 0.24 132.00 134.24 2gi4 h PRO 16 Ca 0.12 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2gi4 h PRO 16 Cb 0.24 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 2gi4 h PRO 16 CO -0.28 0.76 -0.38 1.98 -0.23 0.00 0.00 178.00 179.85 2gi4 h MET 17 N 0.80 -0.84 0.00 0.86 4.05 -1.47 -1.48 114.93 116.84 2gi4 h MET 17 Ca 0.19 0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 2gi4 h MET 17 Cb 0.22 0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2gi4 h MET 17 CO -0.01 -0.56 -0.03 0.00 0.23 0.00 0.00 176.91 176.53 2gi4 h ALA 18 N -0.53 1.03 0.09 0.39 0.00 -1.28 -2.52 119.26 116.45 2gi4 h ALA 18 Ca -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gi4 h ALA 18 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2gi4 h ALA 18 CO 0.02 0.04 -0.04 1.49 0.00 0.00 0.00 179.25 180.75 2gi4 h GLU 19 N 0.00 -0.12 -0.02 0.00 4.57 0.51 0.16 114.58 119.68 2gi4 h GLU 19 Ca -0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2gi4 h GLU 19 Cb 0.40 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2gi4 h GLU 19 CO 0.00 -0.07 -0.20 0.35 -1.18 0.00 0.00 179.01 177.91 2gi4 h PHE 20 N -0.13 0.25 0.31 0.92 3.57 -1.23 -2.33 116.94 118.29 2gi4 h PHE 20 Ca -0.01 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2gi4 h PHE 20 Cb 0.10 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2gi4 h PHE 20 CO -0.07 0.86 -0.17 -0.84 -2.23 0.00 0.00 178.31 175.86 2gi4 h ILE 21 N -0.44 0.64 -0.35 1.41 3.07 -1.46 -1.94 117.51 118.43 2gi4 h ILE 21 Ca -0.02 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.42 2gi4 h ILE 21 Cb 0.90 0.64 -0.03 0.00 -0.27 0.00 0.00 36.82 38.06 2gi4 h ILE 21 CO 0.04 0.00 0.16 0.24 -1.05 0.00 0.00 178.15 177.54 2gi4 h MET 22 N -0.45 0.33 -0.92 0.16 2.86 -0.80 -1.74 114.93 114.37 2gi4 h MET 22 Ca -0.04 -0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.77 2gi4 h MET 22 Cb 0.37 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.88 2gi4 h MET 22 CO 0.05 0.22 0.60 -0.22 1.06 0.00 0.00 176.91 178.61 2gi4 h LYS 23 N 0.34 0.51 0.54 1.72 3.11 -1.23 0.52 116.57 122.07 2gi4 h LYS 23 Ca 0.15 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.93 2gi4 h LYS 23 Cb 0.08 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.20 2gi4 h LYS 23 CO -0.12 0.34 -0.26 0.22 -2.81 0.00 0.00 179.45 176.82 2gi4 h ASP 24 N 0.52 -0.61 0.68 4.20 1.82 -0.52 -3.13 116.42 119.37 2gi4 h ASP 24 Ca 0.48 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 57.09 2gi4 h ASP 24 Cb 1.04 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 2gi4 h ASP 24 CO -0.22 -0.21 -0.02 -0.07 -1.61 0.00 0.00 179.24 177.11 2gi4 h LEU 25 N -1.11 0.00 0.43 2.28 3.38 -1.02 -3.24 115.31 116.03 2gi4 h LEU 25 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2gi4 h LEU 25 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2gi4 h LEU 25 CO 0.12 0.02 -0.21 0.58 0.09 0.00 0.00 178.44 179.05 2gi4 h VAL 26 N 0.00 0.50 -0.48 1.22 2.07 0.04 -1.73 116.25 117.87 2gi4 h VAL 26 Ca -0.00 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.16 2gi4 h VAL 26 Cb 0.36 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.72 2gi4 h VAL 26 CO 0.00 0.07 -0.19 0.07 0.02 0.00 0.00 177.57 177.55 2gi4 h LYS 27 N -0.87 -0.08 0.00 1.57 5.09 -1.57 2.36 116.57 123.08 2gi4 h LYS 27 Ca -0.06 0.01 -0.05 0.00 0.09 0.00 0.00 60.65 60.64 2gi4 h LYS 27 Cb 0.56 0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.90 2gi4 h LYS 27 CO 0.10 -0.05 -0.24 1.57 -2.09 0.00 0.00 179.45 178.74 2gi4 h LYS 28 N -0.08 0.00 0.00 0.07 5.09 -1.68 -2.90 116.57 117.07 2gi4 h LYS 28 Ca 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.91 2gi4 h LYS 28 Cb 0.43 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 32.63 2gi4 h LYS 28 CO -0.54 0.24 -0.64 0.00 -2.09 0.00 0.00 179.45 176.42 2gi4 n ALA 29 N -2.31 2.94 0.14 0.07 0.00 -0.12 -4.77 120.51 116.45 2gi4 n ALA 29 Ca -0.01 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.70 2gi4 n ALA 29 Cb 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.50 -2.36 0.29 0.00 4.13 0.78 -4.89 115.26 112.71 2gi4 n ASN 30 Ca 0.13 0.52 0.20 0.00 1.68 0.00 0.00 54.58 57.10 2gi4 n ASN 30 Cb 0.85 2.40 1.02 0.00 -1.54 0.00 0.00 39.78 42.51 2gi4 n ASN 30 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2gi4 h LEU 31 N 0.00 0.00 0.04 3.41 6.46 -1.21 -2.00 115.31 122.00 2gi4 h LEU 31 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2gi4 h LEU 31 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2gi4 h LEU 31 CO 0.00 0.00 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.42 2gi4 h GLU 32 N 0.00 -0.13 -0.38 1.25 5.08 -1.77 -0.75 114.58 117.88 2gi4 h GLU 32 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2gi4 h GLU 32 Cb 0.07 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2gi4 h GLU 32 CO 0.00 -0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.55 2gi4 n LYS 33 N -5.18 1.73 -2.98 2.33 4.76 -0.86 -4.90 118.16 113.06 2gi4 n LYS 33 Ca -0.07 -0.93 -0.10 0.00 -2.87 0.00 0.00 58.31 54.35 2gi4 n LYS 33 Cb 0.11 -1.32 0.05 0.00 -1.84 0.00 0.00 35.03 32.03 2gi4 n LYS 33 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2gi4 n GLU 34 N 0.22 -1.76 -3.95 1.97 2.13 -0.29 -4.97 120.64 113.99 2gi4 n GLU 34 Ca 0.09 0.90 -0.28 0.00 0.66 0.00 0.00 57.16 58.53 2gi4 n GLU 34 Cb 0.29 -5.26 -0.04 0.00 0.27 0.00 0.00 31.44 26.70 2gi4 n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2gi4 s PHE 35 N -3.26 3.46 -0.09 4.31 0.08 -0.81 -4.66 117.98 117.01 2gi4 s PHE 35 Ca 0.30 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.53 2gi4 s PHE 35 Cb -0.04 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 2gi4 s PHE 35 CO 0.65 0.54 -0.19 0.12 -0.10 0.00 0.00 175.22 176.23 2gi4 s PHE 36 N -1.66 2.15 -0.04 0.36 5.36 0.02 -4.57 117.98 119.59 2gi4 s PHE 36 Ca 0.34 -0.88 0.02 0.00 -0.96 0.00 0.00 56.93 55.45 2gi4 s PHE 36 Cb -0.12 -1.48 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 2gi4 s PHE 36 CO 0.28 -0.38 -0.07 0.96 -1.46 0.00 0.00 175.22 174.54 2gi4 s ILE 37 N 0.51 0.70 0.46 3.12 -5.25 -1.26 -1.93 121.20 117.56 2gi4 s ILE 37 Ca -0.16 -0.25 0.07 0.00 -0.99 0.00 0.00 60.65 59.32 2gi4 s ILE 37 Cb -0.17 -0.67 -0.00 0.00 2.95 0.00 0.00 42.46 44.56 2gi4 s ILE 37 CO 0.06 0.25 0.36 0.20 -1.79 0.00 0.00 174.94 174.02 2gi4 s ASN 38 N 0.66 4.78 -0.29 4.36 0.01 0.07 -4.94 114.94 119.59 2gi4 s ASN 38 Ca -0.10 -0.99 -0.16 0.00 -0.71 0.00 0.00 52.86 50.90 2gi4 s ASN 38 Cb -0.13 -0.19 0.14 0.00 0.41 0.00 0.00 41.25 41.48 2gi4 s ASN 38 CO 0.01 -0.81 0.91 -0.55 -1.51 0.00 0.00 177.10 175.15 2gi4 s SER 39 N -4.15 -0.63 0.24 -1.22 0.15 -1.26 -0.75 113.70 106.08 2gi4 s SER 39 Ca 0.42 0.98 -0.22 0.00 0.70 0.00 0.00 55.95 57.83 2gi4 s SER 39 Cb -0.01 1.37 0.05 0.00 -1.71 0.00 0.00 66.02 65.71 2gi4 s SER 39 CO 0.25 -0.15 0.87 0.00 1.20 0.00 0.00 173.24 175.41 2gi4 s ALA 40 N 1.64 -1.35 0.62 5.45 0.00 -0.52 -4.92 121.76 122.69 2gi4 s ALA 40 Ca -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2gi4 s ALA 40 Cb -0.05 0.73 0.06 0.00 0.00 0.00 0.00 23.12 23.87 2gi4 s ALA 40 CO -0.16 -1.04 0.88 0.20 0.00 0.00 0.00 175.76 175.64 2gi4 s GLY 41 N -3.03 1.79 0.07 0.00 0.00 -1.21 -1.97 107.32 102.97 2gi4 s GLY 41 Ca 0.14 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.28 2gi4 s GLY 41 CO 0.06 -0.99 1.51 -0.84 0.00 0.00 0.00 173.10 172.84 2gi4 h THR 42 N -0.21 1.24 0.00 0.90 2.02 -1.85 -0.29 112.91 114.73 2gi4 h THR 42 Ca -0.41 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2gi4 h THR 42 Cb 1.29 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2gi4 h THR 42 CO 0.50 0.25 0.00 -0.24 0.37 0.00 0.00 175.52 176.40 2gi4 n SER 43 N -4.74 0.91 -1.83 4.18 2.88 -1.26 -4.50 113.62 109.25 2gi4 n SER 43 Ca -0.05 -1.17 -0.20 0.00 -1.33 0.00 0.00 58.87 56.12 2gi4 n SER 43 Cb 0.21 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.08 1.07 0.09 0.46 0.00 -1.25 -4.88 105.19 100.59 2gi4 n GLY 44 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2gi4 n GLY 44 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gi4 h GLU 45 N 0.00 -0.20 0.00 1.61 3.07 -1.95 -3.40 114.58 113.71 2gi4 h GLU 45 Ca -0.44 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.36 2gi4 h GLU 45 Cb 1.34 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 2gi4 h GLU 45 CO 0.59 -0.13 -1.31 -2.39 -1.40 0.00 0.00 179.01 174.37 2gi4 n HIS 46 N -2.72 0.00 -1.72 4.33 1.44 -1.26 -5.02 115.22 110.27 2gi4 n HIS 46 Ca -0.02 0.00 -0.63 0.00 -2.01 0.00 0.00 57.72 55.05 2gi4 n HIS 46 Cb 0.09 -0.22 -0.09 0.00 0.12 0.00 0.00 29.99 29.89 2gi4 n HIS 46 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2gi4 n ASP 47 N -2.09 1.68 0.00 4.39 8.00 -1.26 -2.93 116.55 124.34 2gi4 n ASP 47 Ca -0.07 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.55 2gi4 n ASP 47 Cb 0.57 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 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 4.22 0.33 0.12 0.44 0.00 -1.12 -2.42 105.19 106.75 2gi4 n GLY 48 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.27 0.00 1.61 4.39 -1.60 -2.79 114.58 115.92 2gi4 h GLU 49 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2gi4 h GLU 49 Cb 0.00 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2gi4 h GLU 49 CO 0.00 -0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.08 2gi4 n GLY 50 N 0.16 0.05 3.37 -3.84 0.00 -1.23 -4.62 105.19 99.07 2gi4 n GLY 50 Ca -0.03 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 2gi4 n GLY 50 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2gi4 n MET 51 N 0.00 -0.84 -1.28 1.61 -0.00 -1.26 -2.88 117.12 112.48 2gi4 n MET 51 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.70 57.49 2gi4 n MET 51 Cb 0.00 -1.81 0.00 0.00 -0.00 0.00 0.00 33.22 31.41 2gi4 n MET 51 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 2gi4 n HIS 52 N -3.95 0.00 0.00 3.17 -0.00 -1.20 -4.62 115.22 108.61 2gi4 n HIS 52 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2gi4 n HIS 52 Cb 0.57 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 2gi4 n HIS 52 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 2gi4 n TYR 53 N 0.00 0.00 0.10 1.57 4.19 -1.26 -2.24 117.16 119.52 2gi4 n TYR 53 Ca 0.00 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.26 2gi4 n TYR 53 Cb 0.00 -0.45 -0.00 0.00 0.49 0.00 0.00 39.34 39.38 2gi4 n TYR 53 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 2gi4 h GLY 54 N 0.00 0.00 0.78 2.98 0.00 -1.91 -3.35 103.07 101.57 2gi4 h GLY 54 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2gi4 h GLY 54 CO 0.00 0.00 -0.07 -0.84 0.00 0.00 0.00 176.54 175.63 2gi4 h THR 55 N 0.00 0.81 -0.55 4.70 2.02 -1.85 -1.50 112.91 116.54 2gi4 h THR 55 Ca -0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.17 2gi4 h THR 55 Cb 1.33 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 2gi4 h THR 55 CO 0.04 0.00 0.37 0.50 0.37 0.00 0.00 175.52 176.79 2gi4 h LYS 56 N -0.11 0.55 -0.13 6.66 3.64 -1.60 -1.99 116.57 123.58 2gi4 h LYS 56 Ca 0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2gi4 h LYS 56 Cb 0.16 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2gi4 h LYS 56 CO -0.10 0.36 0.08 -2.95 -2.27 0.00 0.00 179.45 174.58 2gi4 h ASN 57 N 0.57 0.16 -0.72 4.20 -1.07 -1.43 0.19 115.58 117.48 2gi4 h ASN 57 Ca 0.23 -0.05 0.02 0.00 0.07 0.00 0.00 56.30 56.57 2gi4 h ASN 57 Cb 0.20 -0.04 -0.04 0.00 -2.07 0.00 0.00 38.32 36.37 2gi4 h ASN 57 CO -0.06 0.16 0.46 0.50 0.07 0.00 0.00 177.43 178.56 2gi4 h LYS 58 N 0.15 0.90 -0.01 4.14 3.11 -0.64 -2.08 116.57 122.13 2gi4 h LYS 58 Ca 0.05 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2gi4 h LYS 58 Cb 0.03 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.06 2gi4 h LYS 58 CO -0.01 0.59 -0.00 -0.07 -2.81 0.00 0.00 179.45 177.15 2gi4 h LEU 59 N 0.93 0.02 -1.74 5.20 3.38 -1.13 -2.96 115.31 119.00 2gi4 h LEU 59 Ca 0.28 -0.34 0.19 0.00 0.09 0.00 0.00 57.88 58.10 2gi4 h LEU 59 Cb -0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2gi4 h LEU 59 CO -0.08 0.36 0.54 0.00 0.09 0.00 0.00 178.44 179.34 2gi4 h ALA 60 N 0.67 2.38 -0.13 1.53 0.00 -0.41 0.79 119.26 124.08 2gi4 h ALA 60 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2gi4 h ALA 60 Cb 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2gi4 h ALA 60 CO 0.00 -0.61 -0.19 1.96 0.00 0.00 0.00 179.25 180.41 2gi4 h GLN 61 N 0.24 -0.22 0.00 0.00 4.20 -1.20 -3.42 115.11 114.70 2gi4 h GLN 61 Ca 0.39 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.11 2gi4 h GLN 61 Cb 1.17 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2gi4 h GLN 61 CO -0.09 -0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.20 2gi4 n LEU 62 N -5.33 0.00 0.00 1.46 4.32 -0.68 -5.12 117.00 111.66 2gi4 n LEU 62 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2gi4 n LEU 62 Cb 0.24 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2gi4 n LEU 62 CO 0.20 -0.10 0.00 0.59 -1.22 0.00 0.00 177.39 176.87 2gi4 n ASN 63 N -1.69 -0.99 -4.81 -1.43 3.02 0.27 -5.00 115.26 104.62 2gi4 n ASN 63 Ca 0.00 -0.27 -0.38 0.00 -0.03 0.00 0.00 54.58 53.90 2gi4 n ASN 63 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.76 4.94 -1.74 2.41 -1.09 -1.25 -4.28 121.20 119.43 2gi4 s ILE 64 Ca 0.00 0.99 0.06 0.00 -2.23 0.00 0.00 60.65 59.47 2gi4 s ILE 64 Cb 0.00 -3.79 0.15 0.00 -1.58 0.00 0.00 42.46 37.23 2gi4 s ILE 64 CO 0.00 0.54 0.93 1.21 -1.23 0.00 0.00 174.94 176.39 2gi4 n GLU 65 N 2.01 0.15 0.00 2.79 2.13 -1.26 -4.53 120.64 121.93 2gi4 n GLU 65 Ca -0.12 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2gi4 n GLU 65 Cb 0.52 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2gi4 n GLU 65 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2gi4 n HIS 66 N -1.13 0.00 -3.65 4.31 1.44 -1.26 -4.87 115.22 110.07 2gi4 n HIS 66 Ca 0.04 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.76 2gi4 n HIS 66 Cb 0.03 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.08 2gi4 n HIS 66 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2gi4 s LYS 67 N -1.68 0.13 -0.59 -1.40 2.47 -1.26 -5.06 119.74 112.36 2gi4 s LYS 67 Ca 0.00 0.23 -0.10 0.00 -1.56 0.00 0.00 55.97 54.53 2gi4 s LYS 67 Cb 0.00 0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.41 2gi4 s LYS 67 CO 0.00 -0.03 0.65 0.09 0.16 0.00 0.00 175.35 176.22 2gi4 n ASN 68 N 3.21 -7.41 -4.03 1.43 4.13 -1.26 -4.50 115.26 106.83 2gi4 n ASN 68 Ca -0.17 0.11 -0.31 0.00 1.68 0.00 0.00 54.58 55.88 2gi4 n ASN 68 Cb 0.57 -4.71 -0.15 0.00 -1.54 0.00 0.00 39.78 33.95 2gi4 n ASN 68 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2gi4 s PHE 69 N -2.69 3.75 -0.05 3.10 0.08 -1.26 -4.86 117.98 116.06 2gi4 s PHE 69 Ca 0.14 -2.97 -0.02 0.00 0.12 0.00 0.00 56.93 54.21 2gi4 s PHE 69 Cb -0.03 -2.92 0.03 0.00 -0.57 0.00 0.00 43.02 39.53 2gi4 s PHE 69 CO 0.78 -0.95 0.09 0.99 -0.10 0.00 0.00 175.22 176.03 2gi4 s THR 70 N 0.92 -0.08 -0.03 0.64 2.01 -1.08 -4.94 115.64 113.08 2gi4 s THR 70 Ca 0.10 0.24 -0.33 0.00 0.31 0.00 0.00 61.69 62.02 2gi4 s THR 70 Cb -0.19 -0.17 -0.11 0.00 0.01 0.00 0.00 72.50 72.04 2gi4 s THR 70 CO -0.08 0.10 1.91 -1.54 -0.69 0.00 0.00 174.62 174.32 2gi4 n SER 71 N 4.43 3.73 -4.33 3.53 3.41 -1.08 -4.46 113.62 118.85 2gi4 n SER 71 Ca -0.23 0.95 -0.28 0.00 -0.26 0.00 0.00 58.87 59.06 2gi4 n SER 71 Cb 0.51 -1.44 -0.13 0.00 -0.26 0.00 0.00 64.21 62.88 2gi4 n SER 71 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2gi4 s LYS 72 N 4.05 1.42 -0.33 4.33 -2.85 -1.01 -4.95 119.74 120.40 2gi4 s LYS 72 Ca 0.90 -1.19 -0.01 0.00 -1.00 0.00 0.00 55.97 54.67 2gi4 s LYS 72 Cb -0.59 -1.74 0.13 0.00 -2.06 0.00 0.00 37.83 33.57 2gi4 s LYS 72 CO 0.47 0.42 0.18 -1.59 0.10 0.00 0.00 175.35 174.94 2gi4 s LYS 73 N -1.71 0.45 0.02 1.78 -2.85 -1.26 -3.29 119.74 112.88 2gi4 s LYS 73 Ca 0.11 -1.07 -0.33 0.00 -1.00 0.00 0.00 55.97 53.68 2gi4 s LYS 73 Cb -0.10 -1.30 -0.12 0.00 -2.06 0.00 0.00 37.83 34.25 2gi4 s LYS 73 CO 0.04 -1.14 1.80 -0.11 0.10 0.00 0.00 175.35 176.04 2gi4 n LEU 74 N 4.46 3.48 0.00 2.77 7.94 -0.12 -4.85 117.00 130.69 2gi4 n LEU 74 Ca 0.05 1.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.84 2gi4 n LEU 74 Cb 0.39 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 42.89 2gi4 n LEU 74 CO 0.11 -0.07 -0.08 0.35 -1.11 0.00 0.00 177.39 176.59 2gi4 n THR 75 N 4.64 0.00 -0.22 1.96 -2.24 -1.26 -4.67 114.28 112.48 2gi4 n THR 75 Ca 0.20 -0.98 -0.06 0.00 -2.27 0.00 0.00 64.05 60.95 2gi4 n THR 75 Cb 0.31 0.30 0.04 0.00 -2.10 0.00 0.00 70.33 68.89 2gi4 n THR 75 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2gi4 h GLN 76 N 0.00 0.83 -0.80 -0.78 4.15 -1.99 -1.42 115.11 115.09 2gi4 h GLN 76 Ca -0.14 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.24 2gi4 h GLN 76 Cb 0.51 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 2gi4 h GLN 76 CO 0.23 0.55 0.53 -0.22 -1.93 0.00 0.00 178.83 177.99 2gi4 h LYS 77 N 0.85 1.03 0.12 1.69 3.64 -1.98 -0.50 116.57 121.43 2gi4 h LYS 77 Ca 0.23 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2gi4 h LYS 77 Cb -0.10 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.49 2gi4 h LYS 77 CO -0.05 0.68 -0.06 1.25 -2.27 0.00 0.00 179.45 179.00 2gi4 h LEU 78 N 1.06 -0.14 -0.70 5.20 5.85 -1.80 -2.88 115.31 121.90 2gi4 h LEU 78 Ca 0.30 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2gi4 h LEU 78 Cb -0.09 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2gi4 h LEU 78 CO -0.07 0.30 0.43 0.00 -0.34 0.00 0.00 178.44 178.76 2gi4 h ASP 80 N 0.82 0.00 0.00 0.00 3.58 -1.13 -3.07 116.42 116.62 2gi4 h ASP 80 Ca 0.29 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 2gi4 h ASP 80 Cb 0.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2gi4 h ASP 80 CO -0.12 0.00 -0.03 -0.33 -2.88 0.00 0.00 179.24 175.88 2gi4 h GLU 81 N 0.00 0.00 -7.17 0.28 5.08 -0.89 -3.47 114.58 108.41 2gi4 h GLU 81 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 2gi4 h GLU 81 Cb 0.14 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.59 2gi4 h GLU 81 CO 0.00 0.17 0.01 -1.12 -1.00 0.00 0.00 179.01 177.06 2gi4 s SER 82 N -5.67 0.52 -0.07 1.42 0.01 -0.99 -4.96 113.70 103.95 2gi4 s SER 82 Ca -0.04 1.16 0.04 0.00 1.31 0.00 0.00 55.95 58.43 2gi4 s SER 82 Cb -0.00 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.39 2gi4 s SER 82 CO 0.12 -4.43 -0.01 -0.67 0.41 0.00 0.00 173.24 168.66 2gi4 n ASP 83 N -5.04 3.33 -4.25 2.44 2.03 -0.59 -4.95 116.55 109.52 2gi4 n ASP 83 Ca 0.07 -0.02 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 2gi4 n ASP 83 Cb 0.57 0.39 -0.16 0.00 -0.72 0.00 0.00 41.12 41.19 2gi4 n ASP 83 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2gi4 s PHE 84 N -2.17 2.58 -0.16 -0.67 0.08 -0.73 -5.04 117.98 111.88 2gi4 s PHE 84 Ca -0.06 -0.93 -0.06 0.00 0.12 0.00 0.00 56.93 55.99 2gi4 s PHE 84 Cb 0.02 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2gi4 s PHE 84 CO 0.25 -0.35 0.04 -0.51 -0.10 0.00 0.00 175.22 174.55 2gi4 s LEU 85 N 0.25 3.73 -0.08 -0.37 1.02 -0.83 -0.98 118.68 121.42 2gi4 s LEU 85 Ca -0.15 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.10 2gi4 s LEU 85 Cb -0.17 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.13 2gi4 s LEU 85 CO 0.08 0.22 -0.14 -0.63 0.02 0.00 0.00 176.35 175.89 2gi4 s ILE 86 N 0.09 1.33 -0.13 -0.59 -1.09 -0.84 -1.38 121.20 118.59 2gi4 s ILE 86 Ca 0.04 -0.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.76 2gi4 s ILE 86 Cb -0.12 -1.20 -0.04 0.00 -1.58 0.00 0.00 42.46 39.51 2gi4 s ILE 86 CO 0.01 0.40 -0.24 0.35 -1.23 0.00 0.00 174.94 174.23 2gi4 n THR 87 N 3.89 1.19 0.00 2.92 -2.24 -0.69 -1.03 114.28 118.32 2gi4 n THR 87 Ca -0.21 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2gi4 n THR 87 Cb 0.52 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 2gi4 n THR 87 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2gi4 n MET 88 N -4.11 0.00 -2.83 -0.78 3.85 -1.25 -4.54 117.12 107.47 2gi4 n MET 88 Ca -0.09 0.00 -0.40 0.00 -1.00 0.00 0.00 57.70 56.21 2gi4 n MET 88 Cb 0.35 -0.06 -0.06 0.00 -1.05 0.00 0.00 33.22 32.40 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 0.00 7.55 0.07 3.17 1.01 -1.26 -4.09 116.67 123.12 2gi4 s ASP 89 Ca 0.00 1.84 -0.34 0.00 0.71 0.00 0.00 52.55 54.75 2gi4 s ASP 89 Cb 0.00 -2.57 -0.19 0.00 1.01 0.00 0.00 42.92 41.17 2gi4 s ASP 89 CO 0.00 0.17 1.61 0.78 0.21 0.00 0.00 175.17 177.94 2gi4 h ASN 90 N 4.26 -0.87 0.34 0.27 -0.26 -1.91 -2.95 115.58 114.46 2gi4 h ASN 90 Ca -0.46 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.26 2gi4 h ASN 90 Cb 1.20 0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.68 2gi4 h ASN 90 CO 0.67 -0.62 -0.25 0.28 -1.06 0.00 0.00 177.43 176.46 2gi4 h SER 91 N -1.02 0.00 -0.93 5.81 0.02 -1.99 -2.93 113.55 112.51 2gi4 h SER 91 Ca -0.10 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2gi4 h SER 91 Cb 0.78 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 2gi4 h SER 91 CO 0.17 0.25 0.61 0.78 -1.14 0.00 0.00 176.83 177.50 2gi4 h ASN 92 N 0.00 1.07 0.15 3.07 2.35 -1.91 -1.86 115.58 118.45 2gi4 h ASN 92 Ca -0.00 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2gi4 h ASN 92 Cb 0.48 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2gi4 h ASN 92 CO 0.03 0.78 -0.07 0.15 -1.65 0.00 0.00 177.43 176.67 2gi4 h PHE 93 N 1.27 -0.19 -0.46 1.19 3.57 -1.37 -0.88 116.94 120.07 2gi4 h PHE 93 Ca 0.34 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 2gi4 h PHE 93 Cb -0.14 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2gi4 h PHE 93 CO 0.00 -0.08 0.16 -0.22 -2.23 0.00 0.00 178.31 175.95 2gi4 h LYS 94 N -0.25 0.66 0.55 1.11 3.64 -1.61 -0.92 116.57 119.74 2gi4 h LYS 94 Ca -0.02 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2gi4 h LYS 94 Cb 0.19 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2gi4 h LYS 94 CO 0.03 0.56 -0.27 -0.97 -2.27 0.00 0.00 179.45 176.54 2gi4 h ASN 95 N 0.65 -0.63 0.09 4.20 -0.00 -1.09 -3.11 115.58 115.69 2gi4 h ASN 95 Ca 0.16 -0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.42 2gi4 h ASN 95 Cb 0.16 0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.65 2gi4 h ASN 95 CO -0.01 -0.24 -0.02 -0.37 -0.00 0.00 0.00 177.43 176.79 2gi4 h VAL 96 N -1.11 0.34 0.07 2.57 -1.51 -1.14 -0.63 116.25 114.84 2gi4 h VAL 96 Ca -0.08 -0.10 0.02 0.00 -1.23 0.00 0.00 66.70 65.32 2gi4 h VAL 96 Cb 0.62 1.07 -0.05 0.00 -2.13 0.00 0.00 31.29 30.80 2gi4 h VAL 96 CO 0.12 0.02 -0.42 0.25 -1.23 0.00 0.00 177.57 176.31 2gi4 h LEU 97 N 0.00 -1.25 -0.73 4.19 5.85 -1.09 -2.85 115.31 119.43 2gi4 h LEU 97 Ca -0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2gi4 h LEU 97 Cb 0.07 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2gi4 h LEU 97 CO 0.00 -0.47 -0.48 0.29 -0.34 0.00 0.00 178.44 177.44 2gi4 n LYS 98 N -5.46 1.45 0.00 1.25 5.02 -1.15 -4.31 118.16 114.96 2gi4 n LYS 98 Ca -0.07 -0.70 0.14 0.00 -2.02 0.00 0.00 58.31 55.66 2gi4 n LYS 98 Cb 0.37 -1.35 0.52 0.00 -0.02 0.00 0.00 35.03 34.56 2gi4 n LYS 98 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2gi4 n ASN 99 N -0.36 0.39 -4.23 4.39 2.85 -0.26 -4.90 115.26 113.14 2gi4 n ASN 99 Ca 0.07 -0.27 -0.27 0.00 -0.11 0.00 0.00 54.58 53.99 2gi4 n ASN 99 Cb 0.36 -0.09 -0.08 0.00 1.24 0.00 0.00 39.78 41.21 2gi4 n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2gi4 s PHE 100 N -2.71 1.81 0.00 1.20 0.08 -1.08 -4.99 117.98 112.29 2gi4 s PHE 100 Ca 0.21 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 56.04 2gi4 s PHE 100 Cb 0.19 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 2gi4 s PHE 100 CO 0.54 -0.20 0.00 2.41 -0.10 0.00 0.00 175.22 177.87 2gi4 n THR 101 N -0.97 0.00 1.06 0.64 -1.04 -1.26 -4.81 114.28 107.89 2gi4 n THR 101 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2gi4 n THR 101 Cb 0.65 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 2gi4 n THR 101 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2gi4 n ASN 102 N -2.66 0.02 -0.70 8.00 3.02 -1.26 -2.80 115.26 118.88 2gi4 n ASN 102 Ca 0.00 -1.07 0.07 0.00 -0.03 0.00 0.00 54.58 53.55 2gi4 n ASN 102 Cb 0.00 -0.01 0.20 0.00 -0.61 0.00 0.00 39.78 39.36 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2gi4 n THR 103 N -0.48 0.49 0.34 3.41 5.66 -1.26 -4.04 114.28 118.40 2gi4 n THR 103 Ca 0.00 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.60 2gi4 n THR 103 Cb 0.00 0.28 0.45 0.00 -1.55 0.00 0.00 70.33 69.51 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 0.61 0.14 0.00 1.09 0.00 -1.12 -1.57 117.38 116.52 2gi4 n GLN 104 Ca 0.13 0.44 0.15 0.00 0.00 0.00 0.00 57.00 57.72 2gi4 n GLN 104 Cb 0.33 -1.80 0.74 0.00 0.00 0.00 0.00 30.24 29.51 2gi4 n GLN 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2gi4 n ASN 105 N -2.06 0.11 -1.43 2.61 3.02 -1.26 -3.06 115.26 113.19 2gi4 n ASN 105 Ca 0.02 -0.30 0.08 0.00 -0.03 0.00 0.00 54.58 54.34 2gi4 n ASN 105 Cb 0.17 -0.21 0.31 0.00 -0.61 0.00 0.00 39.78 39.44 2gi4 n ASN 105 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2gi4 n LYS 106 N -1.19 3.39 -4.36 3.52 3.00 -0.61 -4.91 118.16 117.00 2gi4 n LYS 106 Ca 0.15 -2.50 -0.33 0.00 -0.00 0.00 0.00 58.31 55.63 2gi4 n LYS 106 Cb 0.24 -1.82 -0.09 0.00 0.00 0.00 0.00 35.03 33.36 2gi4 n LYS 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2gi4 s VAL 107 N -1.81 4.06 0.15 3.15 1.01 -1.17 -1.97 120.40 123.82 2gi4 s VAL 107 Ca 0.45 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.98 2gi4 s VAL 107 Cb 0.29 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2gi4 s VAL 107 CO 0.22 0.44 -0.26 -0.76 0.00 0.00 0.00 175.10 174.73 2gi4 s LEU 108 N -1.35 2.35 -0.02 3.92 1.02 -0.48 -4.98 118.68 119.14 2gi4 s LEU 108 Ca 0.17 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 53.55 2gi4 s LEU 108 Cb -0.11 -1.21 -0.04 0.00 0.02 0.00 0.00 46.19 44.85 2gi4 s LEU 108 CO 0.08 0.16 0.02 -0.75 0.02 0.00 0.00 176.35 175.88 2gi4 s LYS 109 N -2.21 2.87 0.21 1.70 2.20 -1.26 -1.70 119.74 121.55 2gi4 s LYS 109 Ca 0.16 -0.55 0.25 0.00 -0.36 0.00 0.00 55.97 55.47 2gi4 s LYS 109 Cb -0.09 -2.73 0.62 0.00 -1.51 0.00 0.00 37.83 34.11 2gi4 s LYS 109 CO 0.07 0.65 1.62 0.97 -0.36 0.00 0.00 175.35 178.29 2gi4 h ILE 110 N 3.60 0.00 -0.06 5.43 2.10 -1.92 -3.28 117.51 123.39 2gi4 h ILE 110 Ca -0.49 -0.55 -0.00 0.00 1.08 0.00 0.00 64.86 64.90 2gi4 h ILE 110 Cb 1.18 1.42 -0.00 0.00 -1.09 0.00 0.00 36.82 38.33 2gi4 h ILE 110 CO 0.58 0.00 0.03 0.74 -1.08 0.00 0.00 178.15 178.41 2gi4 h THR 111 N 0.00 1.03 0.00 2.19 2.02 -1.91 0.55 112.91 116.79 2gi4 h THR 111 Ca 0.00 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2gi4 h THR 111 Cb 0.77 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2gi4 h THR 111 CO 0.00 0.03 -0.45 0.44 0.37 0.00 0.00 175.52 175.91 2gi4 h ASP 112 N 0.09 0.00 0.32 4.18 3.32 -1.97 -3.21 116.42 119.14 2gi4 h ASP 112 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2gi4 h ASP 112 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2gi4 h ASP 112 CO -0.00 0.37 -0.94 0.49 -1.72 0.00 0.00 179.24 177.43 2gi4 n PHE 113 N -3.16 0.13 -3.40 4.55 3.72 -0.26 -4.91 117.46 114.13 2gi4 n PHE 113 Ca 0.02 0.04 -0.37 0.00 -0.05 0.00 0.00 57.45 57.09 2gi4 n PHE 113 Cb 0.68 -0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 2gi4 n PHE 113 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2gi4 s SER 114 N -3.51 6.86 0.00 4.37 0.15 0.18 -5.03 113.70 116.73 2gi4 s SER 114 Ca 0.06 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2gi4 s SER 114 Cb 0.15 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2gi4 s SER 114 CO 0.80 0.22 0.00 -0.81 1.20 0.00 0.00 173.24 174.65 2gi4 n PRO 115 N 1.32 2.57 0.00 5.44 -0.04 -1.26 -4.74 135.00 138.29 2gi4 n PRO 115 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2gi4 n PRO 115 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 1.68 -0.03 3.54 7.64 -1.26 -4.00 113.62 121.19 2gi4 n SER 116 Ca 0.00 -1.77 -0.13 0.00 1.01 0.00 0.00 58.87 57.98 2gi4 n SER 116 Cb 0.00 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.67 2gi4 n SER 116 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2gi4 h LEU 117 N 0.57 0.19 1.31 -3.43 3.38 -1.98 -3.46 115.31 111.89 2gi4 h LEU 117 Ca 0.00 -0.52 -0.34 0.00 0.09 0.00 0.00 57.88 57.11 2gi4 h LEU 117 Cb 0.64 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2gi4 h LEU 117 CO 0.00 0.68 -0.48 -3.20 0.09 0.00 0.00 178.44 175.52 2gi4 n ASN 118 N -4.68 -4.19 -4.54 -0.43 4.05 -1.26 -4.91 115.26 99.29 2gi4 n ASN 118 Ca -0.08 -0.17 -0.30 0.00 0.45 0.00 0.00 54.58 54.48 2gi4 n ASN 118 Cb 0.33 -3.48 0.20 0.00 1.23 0.00 0.00 39.78 38.06 2gi4 n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2gi4 n TYR 119 N -3.85 -0.33 -3.74 1.20 4.11 -1.26 -5.01 117.16 108.28 2gi4 n TYR 119 Ca -0.08 0.15 -0.29 0.00 -0.00 0.00 0.00 57.90 57.68 2gi4 n TYR 119 Cb 0.58 -1.83 -0.13 0.00 -0.00 0.00 0.00 39.34 37.95 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 -2.44 3.71 -0.06 9.48 1.01 -1.26 -4.88 116.67 122.23 2gi4 s ASP 120 Ca 0.66 -2.71 -0.04 0.00 0.71 0.00 0.00 52.55 51.17 2gi4 s ASP 120 Cb -0.23 -1.11 0.01 0.00 1.01 0.00 0.00 42.92 42.61 2gi4 s ASP 120 CO 0.62 -0.26 0.08 -0.62 0.21 0.00 0.00 175.17 175.20 2gi4 n GLU 121 N 3.44 -2.31 -1.57 8.23 1.02 -1.26 -4.81 120.64 123.38 2gi4 n GLU 121 Ca 0.09 1.91 0.00 0.00 -0.02 0.00 0.00 57.16 59.14 2gi4 n GLU 121 Cb 0.35 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2gi4 n GLU 121 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2gi4 n VAL 122 N 2.28 -3.34 0.00 2.62 0.24 -1.26 -4.97 118.33 113.90 2gi4 n VAL 122 Ca -0.13 1.60 0.00 0.00 -2.04 0.00 0.00 64.34 63.77 2gi4 n VAL 122 Cb 0.20 -2.46 0.00 0.00 -1.47 0.00 0.00 33.84 30.11 2gi4 n VAL 122 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2gi4 n PRO 123 N -2.03 2.15 -0.49 7.34 -0.05 -1.26 -4.76 135.00 135.90 2gi4 n PRO 123 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 2gi4 n PRO 123 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.74 2gi4 n PRO 123 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 2gi4 n ASP 124 N 0.00 -2.64 -0.31 3.54 -0.08 -1.25 -3.93 116.55 111.88 2gi4 n ASP 124 Ca 0.00 0.58 0.07 0.00 -1.51 0.00 0.00 54.79 53.92 2gi4 n ASP 124 Cb 0.00 -0.88 0.23 0.00 2.34 0.00 0.00 41.12 42.81 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 0.07 0.72 -0.22 -0.67 0.13 -1.72 0.22 132.00 130.53 2gi4 h PRO 125 Ca 0.00 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.15 2gi4 h PRO 125 Cb 0.29 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 2gi4 h PRO 125 CO 0.00 0.47 0.26 2.35 -0.23 0.00 0.00 178.00 180.85 2gi4 h TRP 126 N 0.74 0.00 0.00 1.56 -0.00 -1.90 -1.94 115.95 114.40 2gi4 h TRP 126 Ca 0.47 0.00 -0.38 0.00 -0.00 0.00 0.00 58.89 58.98 2gi4 h TRP 126 Cb 0.59 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.69 2gi4 h TRP 126 CO -0.06 0.00 -2.36 0.66 -0.00 0.00 0.00 178.44 176.68 2gi4 n TYR 127 N -3.73 0.00 0.02 2.65 4.02 -0.35 -4.91 117.16 114.86 2gi4 n TYR 127 Ca 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.90 2gi4 n TYR 127 Cb 0.39 -0.90 -0.01 0.00 -0.02 0.00 0.00 39.34 38.80 2gi4 n TYR 127 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2gi4 n SER 128 N -3.57 1.07 0.00 7.72 2.88 -0.08 -4.95 113.62 116.68 2gi4 n SER 128 Ca -0.45 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 2gi4 n SER 128 Cb 0.90 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2gi4 n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gi4 n GLY 129 N 3.10 -0.21 3.48 0.46 0.00 -0.75 -4.92 105.19 106.35 2gi4 n GLY 129 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 3.80 0.12 1.61 3.04 -1.26 -4.64 114.94 117.60 2gi4 s ASN 130 Ca 0.00 -0.67 0.22 0.00 0.04 0.00 0.00 52.86 52.45 2gi4 s ASN 130 Cb 0.00 -0.48 -0.10 0.00 -1.54 0.00 0.00 41.25 39.13 2gi4 s ASN 130 CO 0.00 0.14 0.87 0.49 -3.04 0.00 0.00 177.10 175.56 2gi4 n PHE 131 N 0.44 0.62 0.05 0.43 3.72 -1.26 -2.26 117.46 119.20 2gi4 n PHE 131 Ca -0.14 0.18 0.07 0.00 -0.05 0.00 0.00 57.45 57.51 2gi4 n PHE 131 Cb 0.54 -0.78 -0.06 0.00 -0.94 0.00 0.00 39.48 38.24 2gi4 n PHE 131 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gi4 n ASP 132 N -2.49 0.68 -0.05 4.37 9.92 -1.26 -3.99 116.55 123.72 2gi4 n ASP 132 Ca -0.01 0.28 0.13 0.00 -0.53 0.00 0.00 54.79 54.65 2gi4 n ASP 132 Cb 0.55 0.63 0.54 0.00 -0.64 0.00 0.00 41.12 42.19 2gi4 n ASP 132 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2gi4 h GLU 133 N 0.00 0.32 -0.78 -1.24 4.11 -1.98 0.44 114.58 115.44 2gi4 h GLU 133 Ca -0.08 -0.02 0.14 0.00 0.07 0.00 0.00 59.36 59.48 2gi4 h GLU 133 Cb 1.24 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 2gi4 h GLU 133 CO 0.02 0.21 0.34 1.79 0.07 0.00 0.00 179.01 181.44 2gi4 h THR 134 N 0.32 0.68 -0.19 -1.06 1.35 -1.78 0.65 112.91 112.89 2gi4 h THR 134 Ca 0.25 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.92 2gi4 h THR 134 Cb 0.56 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 2gi4 h THR 134 CO -0.06 0.09 0.02 0.22 -0.25 0.00 0.00 175.52 175.54 2gi4 h TYR 135 N 0.50 0.34 0.26 4.73 3.20 -1.16 -0.54 116.97 124.29 2gi4 h TYR 135 Ca 0.43 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.26 2gi4 h TYR 135 Cb 0.64 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2gi4 h TYR 135 CO -0.14 0.48 -0.34 0.87 -1.64 0.00 0.00 178.16 177.39 2gi4 h LYS 136 N 0.09 -0.63 0.51 1.82 1.57 -0.79 0.57 116.57 119.72 2gi4 h LYS 136 Ca 0.06 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2gi4 h LYS 136 Cb 0.34 0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.80 2gi4 h LYS 136 CO 0.01 -0.42 -0.25 0.82 -0.57 0.00 0.00 179.45 179.04 2gi4 h ILE 137 N -0.66 0.36 0.21 1.86 1.08 -0.98 -2.17 117.51 117.21 2gi4 h ILE 137 Ca -0.00 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 2gi4 h ILE 137 Cb 0.63 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 2gi4 h ILE 137 CO -0.12 0.05 -0.34 -0.07 -0.69 0.00 0.00 178.15 176.98 2gi4 h LEU 138 N -0.98 -0.96 0.16 1.44 3.38 -1.13 0.77 115.31 117.99 2gi4 h LEU 138 Ca -0.07 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2gi4 h LEU 138 Cb 0.61 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2gi4 h LEU 138 CO 0.12 -0.45 -0.22 -1.28 0.09 0.00 0.00 178.44 176.70 2gi4 h SER 139 N -0.63 -0.59 0.44 -0.43 0.87 -0.99 0.14 113.55 112.37 2gi4 h SER 139 Ca 0.01 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2gi4 h SER 139 Cb 0.62 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2gi4 h SER 139 CO -0.14 -0.31 -0.39 0.25 -0.53 0.00 0.00 176.83 175.71 2gi4 h LEU 140 N -0.43 -1.04 -1.58 2.23 6.46 -1.30 -2.14 115.31 117.51 2gi4 h LEU 140 Ca 0.02 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.96 2gi4 h LEU 140 Cb 0.43 0.34 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 2gi4 h LEU 140 CO -0.09 -0.55 0.44 0.00 -0.62 0.00 0.00 178.44 177.61 2gi4 h ALA 141 N -0.47 1.98 -0.16 1.25 0.00 -0.78 -0.72 119.26 120.37 2gi4 h ALA 141 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gi4 h ALA 141 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2gi4 h ALA 141 CO -0.03 -0.13 0.10 0.00 0.00 0.00 0.00 179.25 179.18 2gi4 h LYS 143 N 0.19 -0.52 -0.48 0.00 3.64 -0.75 -2.11 116.57 116.55 2gi4 h LYS 143 Ca 0.06 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2gi4 h LYS 143 Cb 0.01 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 2gi4 h LYS 143 CO -0.01 -0.29 -0.20 -0.91 -2.27 0.00 0.00 179.45 175.76 2gi4 h ASN 144 N -1.10 -0.71 -0.62 4.20 2.35 -1.23 -0.67 115.58 117.80 2gi4 h ASN 144 Ca -0.06 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2gi4 h ASN 144 Cb 0.47 0.40 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 2gi4 h ASN 144 CO 0.09 -0.23 0.32 0.25 -1.65 0.00 0.00 177.43 176.21 2gi4 h LEU 145 N -0.10 0.79 -0.75 1.61 5.85 -1.30 -2.56 115.31 118.86 2gi4 h LEU 145 Ca 0.23 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2gi4 h LEU 145 Cb 0.45 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2gi4 h LEU 145 CO -0.55 0.68 0.39 0.25 -0.34 0.00 0.00 178.44 178.87 2gi4 h LEU 146 N 0.85 0.53 0.26 2.25 5.85 -0.45 0.65 115.31 125.24 2gi4 h LEU 146 Ca 0.22 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2gi4 h LEU 146 Cb 0.07 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2gi4 h LEU 146 CO -0.03 0.30 -0.12 0.58 -0.34 0.00 0.00 178.44 178.82 2gi4 h VAL 147 N 0.66 0.78 0.09 1.05 2.07 -0.83 0.15 116.25 120.22 2gi4 h VAL 147 Ca 0.37 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2gi4 h VAL 147 Cb 0.38 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2gi4 h VAL 147 CO -0.27 0.05 -0.04 0.15 0.02 0.00 0.00 177.57 177.48 2gi4 h PHE 148 N -0.46 -0.11 0.59 1.57 3.57 -1.10 -3.25 116.94 117.76 2gi4 h PHE 148 Ca -0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2gi4 h PHE 148 Cb 0.34 0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.13 2gi4 h PHE 148 CO -0.03 0.01 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.70 2gi4 h LEU 149 N -0.20 -0.68 -5.81 0.59 3.38 -0.90 -3.46 115.31 108.23 2gi4 h LEU 149 Ca -0.01 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2gi4 h LEU 149 Cb 0.17 0.17 -0.19 0.00 0.09 0.00 0.00 40.66 40.90 2gi4 h LEU 149 CO 0.02 -0.41 -0.20 -0.94 0.09 0.00 0.00 178.44 176.99 2gi4 s SER 150 N -3.70 -0.88 0.00 -0.43 1.04 0.45 -5.07 113.70 105.10 2gi4 s SER 150 Ca -0.12 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2gi4 s SER 150 Cb 0.01 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.50 2gi4 s SER 150 CO 0.35 -0.14 0.00 1.17 0.98 0.00 0.00 173.24 175.60 2gi4 n LYS 151 N 4.71 0.00 -2.90 4.02 3.00 -0.71 -4.70 118.16 121.58 2gi4 n LYS 151 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.30 2gi4 n LYS 151 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.62 2gi4 n LYS 151 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2gi4 n HIS 152 N -0.47 -3.37 -0.86 5.64 -0.00 -1.23 -4.94 115.22 109.99 2gi4 n HIS 152 Ca 0.00 1.41 -0.30 0.00 -0.00 0.00 0.00 57.72 58.83 2gi4 n HIS 152 Cb 0.00 -3.65 0.25 0.00 -0.00 0.00 0.00 29.99 26.59 2gi4 n HIS 152 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2gi4 s HIS 153 N -2.11 0.32 0.00 1.57 -3.43 -1.26 -5.01 115.29 105.37 2gi4 s HIS 153 Ca 0.18 0.58 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 2gi4 s HIS 153 Cb -0.04 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.84 2gi4 s HIS 153 CO 0.74 -4.14 0.34 -2.39 -2.00 0.00 0.00 174.74 167.30 2gi4 n HIS 154 N -4.99 0.00 0.35 0.38 1.44 -1.26 -4.93 115.22 106.21 2gi4 n HIS 154 Ca 0.12 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.66 2gi4 n HIS 154 Cb 0.59 0.05 -0.09 0.00 0.12 0.00 0.00 29.99 30.67 2gi4 n HIS 154 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2gi4 h HIS 155 N 0.00 -0.80 -0.01 -1.40 3.86 -2.04 -3.59 115.15 111.17 2gi4 h HIS 155 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2gi4 h HIS 155 Cb 1.01 0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2gi4 h HIS 155 CO -0.00 -0.48 0.00 0.72 0.86 0.00 0.00 177.93 179.03