#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 3.58 -0.03 0.03 3.01 -1.26 -4.80 119.74 120.28 2gi4 s LYS 2 Ca 0.00 -0.06 0.06 0.00 -1.01 0.00 0.00 55.97 54.96 2gi4 s LYS 2 Cb 0.00 -3.84 -0.01 0.00 -1.01 0.00 0.00 37.83 32.97 2gi4 s LYS 2 CO 0.00 -0.79 -0.20 0.15 0.51 0.00 0.00 175.35 175.02 2gi4 s LYS 3 N 2.71 1.73 -0.25 1.68 1.02 -1.26 -2.27 119.74 123.10 2gi4 s LYS 3 Ca 0.23 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2gi4 s LYS 3 Cb -0.14 -1.60 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 2gi4 s LYS 3 CO 0.16 0.38 -0.12 0.42 -0.92 0.00 0.00 175.35 175.26 2gi4 s ILE 4 N -0.31 2.17 -0.42 2.17 -1.09 -0.52 -1.29 121.20 121.91 2gi4 s ILE 4 Ca 0.04 -1.54 -0.19 0.00 -2.23 0.00 0.00 60.65 56.73 2gi4 s ILE 4 Cb -0.09 -2.23 0.02 0.00 -1.58 0.00 0.00 42.46 38.58 2gi4 s ILE 4 CO 0.00 0.05 0.52 -0.22 -1.23 0.00 0.00 174.94 174.06 2gi4 s LEU 5 N 1.13 4.69 -0.15 2.97 0.20 -0.21 -1.17 118.68 126.13 2gi4 s LEU 5 Ca -0.07 -0.50 -0.19 0.00 0.69 0.00 0.00 54.13 54.06 2gi4 s LEU 5 Cb -0.19 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.01 2gi4 s LEU 5 CO -0.06 -0.64 0.54 -0.36 -0.29 0.00 0.00 176.35 175.53 2gi4 s PHE 6 N 2.40 3.45 -0.23 5.38 0.08 -0.49 -1.42 117.98 127.15 2gi4 s PHE 6 Ca 0.16 0.89 0.02 0.00 0.12 0.00 0.00 56.93 58.12 2gi4 s PHE 6 Cb -0.16 -2.66 0.05 0.00 -0.57 0.00 0.00 43.02 39.69 2gi4 s PHE 6 CO 0.16 0.01 -0.11 0.42 -0.10 0.00 0.00 175.22 175.60 2gi4 s ILE 7 N 1.20 1.92 -0.21 0.64 1.09 -0.41 -1.85 121.20 123.58 2gi4 s ILE 7 Ca 0.27 -1.34 -0.05 0.00 -1.10 0.00 0.00 60.65 58.43 2gi4 s ILE 7 Cb -0.16 -2.02 -0.02 0.00 -1.06 0.00 0.00 42.46 39.21 2gi4 s ILE 7 CO 0.11 0.06 -0.01 0.00 -0.10 0.00 0.00 174.94 175.00 2gi4 h LEU 9 N 7.74 0.25 0.00 0.00 6.46 -1.94 -2.90 115.31 124.92 2gi4 h LEU 9 Ca -0.37 0.02 -0.35 0.00 -0.12 0.00 0.00 57.88 57.06 2gi4 h LEU 9 Cb 1.17 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.01 2gi4 h LEU 9 CO 0.60 0.13 -2.31 0.61 -0.62 0.00 0.00 178.44 176.85 2gi4 n GLY 10 N -1.57 -0.45 2.31 3.75 0.00 -1.26 -4.60 105.19 103.37 2gi4 n GLY 10 Ca 0.14 -0.19 -0.09 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 -3.07 -3.05 -0.23 1.61 2.85 -1.09 -3.72 115.26 108.57 2gi4 n ASN 11 Ca -0.39 0.26 0.01 0.00 -0.11 0.00 0.00 54.58 54.35 2gi4 n ASN 11 Cb 0.97 -2.69 0.01 0.00 1.24 0.00 0.00 39.78 39.32 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 -2.86 0.25 0.00 -1.44 -5.35 -1.26 -2.26 119.36 106.44 2gi4 n ILE 12 Ca -0.11 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2gi4 n ILE 12 Cb 0.53 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 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 0.00 -0.03 0.00 0.11 -1.93 -3.27 114.38 109.26 2gi4 h ARG 14 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2gi4 h ARG 14 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2gi4 h ARG 14 CO 0.00 0.85 -0.02 1.03 0.10 0.00 0.00 179.97 181.92 2gi4 h SER 15 N 0.00 0.08 -0.27 0.08 0.87 -1.92 -2.94 113.55 109.44 2gi4 h SER 15 Ca -0.01 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2gi4 h SER 15 Cb 1.64 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 2gi4 h SER 15 CO 0.11 0.52 0.17 1.55 -0.53 0.00 0.00 176.83 178.65 2gi4 h PRO 16 N -0.36 0.37 0.50 2.24 0.13 -1.76 0.19 132.00 133.31 2gi4 h PRO 16 Ca 0.01 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2gi4 h PRO 16 Cb 0.49 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 2gi4 h PRO 16 CO 0.01 0.28 -0.43 1.98 -0.23 0.00 0.00 178.00 179.61 2gi4 h MET 17 N 0.35 -0.89 0.00 0.86 4.05 -1.66 -0.82 114.93 116.83 2gi4 h MET 17 Ca 0.10 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2gi4 h MET 17 Cb 0.00 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2gi4 h MET 17 CO -0.02 -0.59 0.00 0.00 0.23 0.00 0.00 176.91 176.53 2gi4 h ALA 18 N -0.63 1.00 0.36 0.39 0.00 -1.50 -2.54 119.26 116.33 2gi4 h ALA 18 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2gi4 h ALA 18 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2gi4 h ALA 18 CO -0.02 0.00 -0.17 1.49 0.00 0.00 0.00 179.25 180.55 2gi4 h GLU 19 N 0.00 -0.46 -0.14 0.00 4.57 0.85 0.78 114.58 120.18 2gi4 h GLU 19 Ca 0.00 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2gi4 h GLU 19 Cb 0.26 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2gi4 h GLU 19 CO 0.00 -0.22 -0.20 0.35 -1.18 0.00 0.00 179.01 177.77 2gi4 h PHE 20 N -0.63 0.46 0.29 0.92 3.04 -1.25 -2.31 116.94 117.45 2gi4 h PHE 20 Ca -0.05 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.75 2gi4 h PHE 20 Cb 0.46 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 2gi4 h PHE 20 CO -0.01 0.81 -0.28 0.82 -2.02 0.00 0.00 178.31 177.62 2gi4 h ILE 21 N -0.02 0.40 -0.47 1.41 2.04 -1.49 -2.28 117.51 117.10 2gi4 h ILE 21 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2gi4 h ILE 21 Cb 0.76 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2gi4 h ILE 21 CO 0.05 0.00 0.22 0.24 0.00 0.00 0.00 178.15 178.65 2gi4 h MET 22 N -0.60 0.42 -0.99 2.37 2.86 -0.93 -1.50 114.93 116.56 2gi4 h MET 22 Ca -0.01 -0.03 0.22 0.00 -2.06 0.00 0.00 59.70 57.82 2gi4 h MET 22 Cb 0.55 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.02 2gi4 h MET 22 CO -0.06 0.28 0.62 -0.22 1.06 0.00 0.00 176.91 178.59 2gi4 h LYS 23 N 0.43 0.55 0.23 1.72 3.64 -1.14 0.30 116.57 122.30 2gi4 h LYS 23 Ca 0.21 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2gi4 h LYS 23 Cb 0.14 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2gi4 h LYS 23 CO -0.17 0.36 -0.11 -0.44 -2.27 0.00 0.00 179.45 176.83 2gi4 h ASP 24 N 0.57 -0.26 0.60 4.20 5.19 -0.73 -3.34 116.42 122.64 2gi4 h ASP 24 Ca 0.57 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.76 2gi4 h ASP 24 Cb 1.16 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 2gi4 h ASP 24 CO -0.32 0.25 -0.09 0.25 -3.12 0.00 0.00 179.24 176.21 2gi4 h LEU 25 N -0.98 0.00 -0.07 1.55 6.46 -0.88 -3.26 115.31 118.12 2gi4 h LEU 25 Ca -0.03 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 2gi4 h LEU 25 Cb 0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2gi4 h LEU 25 CO 0.05 0.09 -0.07 -0.37 -0.62 0.00 0.00 178.44 177.53 2gi4 h VAL 26 N 0.00 0.81 -0.82 1.05 -1.51 -0.54 -1.88 116.25 113.35 2gi4 h VAL 26 Ca -0.00 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.71 2gi4 h VAL 26 Cb 0.41 0.81 -0.03 0.00 -2.13 0.00 0.00 31.29 30.35 2gi4 h VAL 26 CO 0.01 0.00 0.64 0.50 -1.23 0.00 0.00 177.57 177.49 2gi4 h LYS 27 N -0.08 0.00 0.25 5.19 3.11 -1.74 1.05 116.57 124.34 2gi4 h LYS 27 Ca 0.05 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2gi4 h LYS 27 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2gi4 h LYS 27 CO -0.12 0.00 -0.12 -0.22 -2.81 0.00 0.00 179.45 176.18 2gi4 h LYS 28 N 0.00 -0.32 0.00 1.90 3.11 -1.53 -3.39 116.57 116.34 2gi4 h LYS 28 Ca 0.39 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 58.16 2gi4 h LYS 28 Cb 1.67 0.07 -0.19 0.00 -1.00 0.00 0.00 32.23 32.78 2gi4 h LYS 28 CO -0.00 0.02 -0.72 0.00 -2.81 0.00 0.00 179.45 175.93 2gi4 n ALA 29 N -2.46 2.70 0.07 5.00 0.00 -0.88 -4.78 120.51 120.15 2gi4 n ALA 29 Ca -0.09 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2gi4 n ALA 29 Cb 0.25 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.21 0.27 0.00 0.00 3.02 0.36 -4.77 115.26 113.93 2gi4 n ASN 30 Ca 0.10 0.21 0.06 0.00 -0.03 0.00 0.00 54.58 54.92 2gi4 n ASN 30 Cb 0.91 0.04 0.28 0.00 -0.61 0.00 0.00 39.78 40.40 2gi4 n ASN 30 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2gi4 n LEU 31 N -3.22 0.00 0.07 3.41 7.94 -0.81 -2.01 117.00 122.37 2gi4 n LEU 31 Ca 0.00 0.34 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 2gi4 n LEU 31 Cb 0.09 -0.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.66 2gi4 n LEU 31 CO 0.00 -0.21 0.19 -0.33 -1.11 0.00 0.00 177.39 175.93 2gi4 h GLU 32 N 0.00 0.34 -0.60 1.96 4.39 -1.81 -3.14 114.58 115.72 2gi4 h GLU 32 Ca 0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2gi4 h GLU 32 Cb 0.13 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2gi4 h GLU 32 CO 0.00 1.07 0.00 1.63 -1.16 0.00 0.00 179.01 180.55 2gi4 n LYS 33 N -3.71 4.03 -3.32 2.33 4.01 -0.90 -4.94 118.16 115.66 2gi4 n LYS 33 Ca -0.06 -2.96 -0.16 0.00 -0.51 0.00 0.00 58.31 54.62 2gi4 n LYS 33 Cb 0.84 -1.99 0.08 0.00 -0.51 0.00 0.00 35.03 33.45 2gi4 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2gi4 n GLU 34 N 0.87 -5.27 -4.07 1.97 1.02 -1.19 -4.97 120.64 109.01 2gi4 n GLU 34 Ca 0.26 0.82 -0.36 0.00 -0.02 0.00 0.00 57.16 57.86 2gi4 n GLU 34 Cb 0.98 -5.71 -0.08 0.00 -0.02 0.00 0.00 31.44 26.61 2gi4 n GLU 34 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gi4 s PHE 35 N -3.35 3.39 -0.03 -0.32 0.40 -0.85 -4.57 117.98 112.64 2gi4 s PHE 35 Ca 0.11 0.34 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 2gi4 s PHE 35 Cb -0.01 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 2gi4 s PHE 35 CO 0.70 0.55 -0.20 0.12 0.70 0.00 0.00 175.22 177.09 2gi4 s PHE 36 N -0.75 2.51 0.08 0.36 5.36 -0.96 -4.43 117.98 120.14 2gi4 s PHE 36 Ca 0.13 -0.30 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 2gi4 s PHE 36 Cb -0.12 -1.55 -0.03 0.00 -0.34 0.00 0.00 43.02 40.98 2gi4 s PHE 36 CO 0.03 0.08 -0.18 0.96 -1.46 0.00 0.00 175.22 174.65 2gi4 s ILE 37 N -0.68 1.42 0.34 3.12 -5.25 -1.26 -1.44 121.20 117.44 2gi4 s ILE 37 Ca 0.11 -1.38 0.03 0.00 -0.99 0.00 0.00 60.65 58.42 2gi4 s ILE 37 Cb -0.10 -1.31 -0.05 0.00 2.95 0.00 0.00 42.46 43.94 2gi4 s ILE 37 CO 0.00 -0.10 0.09 0.20 -1.79 0.00 0.00 174.94 173.34 2gi4 s ASN 38 N -1.72 2.26 -0.29 4.36 0.01 -0.32 -4.95 114.94 114.29 2gi4 s ASN 38 Ca 0.03 -1.46 -0.15 0.00 -0.71 0.00 0.00 52.86 50.57 2gi4 s ASN 38 Cb -0.10 0.13 0.11 0.00 0.41 0.00 0.00 41.25 41.81 2gi4 s ASN 38 CO 0.03 -0.72 0.78 -0.55 -1.51 0.00 0.00 177.10 175.12 2gi4 s SER 39 N -3.49 -0.85 0.21 -1.22 0.15 -1.25 -1.40 113.70 105.86 2gi4 s SER 39 Ca 0.33 1.30 -0.23 0.00 0.70 0.00 0.00 55.95 58.06 2gi4 s SER 39 Cb 0.07 1.54 0.06 0.00 -1.71 0.00 0.00 66.02 65.97 2gi4 s SER 39 CO 0.15 -0.20 0.93 0.00 1.20 0.00 0.00 173.24 175.32 2gi4 s ALA 40 N 1.86 -1.47 0.63 5.45 0.00 -0.77 -4.83 121.76 122.62 2gi4 s ALA 40 Ca -0.08 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2gi4 s ALA 40 Cb -0.06 0.70 0.11 0.00 0.00 0.00 0.00 23.12 23.87 2gi4 s ALA 40 CO -0.18 -1.04 0.80 0.41 0.00 0.00 0.00 175.76 175.74 2gi4 n GLY 41 N -0.53 1.09 0.16 0.00 0.00 -1.09 -1.53 105.19 103.29 2gi4 n GLY 41 Ca -0.05 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.68 2gi4 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gi4 h THR 42 N -0.36 1.33 -0.00 2.61 1.03 -1.81 -1.20 112.91 114.51 2gi4 h THR 42 Ca -0.27 -2.58 0.00 0.00 -0.01 0.00 0.00 66.41 63.55 2gi4 h THR 42 Cb 1.05 2.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.86 2gi4 h THR 42 CO 0.31 0.78 -0.01 -1.20 -0.01 0.00 0.00 175.52 175.39 2gi4 n SER 43 N -3.73 0.60 -1.31 0.00 7.64 -1.26 -4.63 113.62 110.92 2gi4 n SER 43 Ca -0.12 -0.80 -0.16 0.00 1.01 0.00 0.00 58.87 58.80 2gi4 n SER 43 Cb 0.98 0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 64.55 2gi4 n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gi4 n GLY 44 N 0.45 1.49 0.34 0.23 0.00 -1.25 -4.86 105.19 101.59 2gi4 n GLY 44 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.79 0.00 1.61 5.08 -1.94 -3.40 114.58 115.13 2gi4 h GLU 45 Ca -0.32 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2gi4 h GLU 45 Cb 1.15 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 2gi4 h GLU 45 CO 0.47 -0.53 -1.07 1.58 -1.00 0.00 0.00 179.01 178.46 2gi4 n HIS 46 N -4.33 0.00 -1.35 4.33 -0.00 -1.26 -5.01 115.22 107.60 2gi4 n HIS 46 Ca -0.10 0.00 -0.54 0.00 0.46 0.00 0.00 57.72 57.54 2gi4 n HIS 46 Cb 0.33 -0.05 -0.11 0.00 -0.12 0.00 0.00 29.99 30.04 2gi4 n HIS 46 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2gi4 n ASP 47 N -1.87 0.96 0.00 0.26 8.00 -1.24 -2.33 116.55 120.32 2gi4 n ASP 47 Ca -0.01 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2gi4 n ASP 47 Cb 0.36 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 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 7.08 -0.20 0.00 0.44 0.00 -0.96 -1.10 105.19 110.46 2gi4 n GLY 48 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2gi4 n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gi4 n GLU 49 N 0.00 0.00 0.00 1.61 0.00 -0.99 -0.45 120.64 120.81 2gi4 n GLU 49 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.37 2gi4 n GLU 49 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 30.31 2gi4 n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gi4 n GLY 50 N -0.69 2.47 1.33 8.31 0.00 -1.26 -4.07 105.19 111.28 2gi4 n GLY 50 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.72 -0.79 1.61 0.00 -1.25 -4.96 117.12 109.01 2gi4 n MET 51 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 57.70 59.71 2gi4 n MET 51 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 33.22 29.90 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 -3.99 -0.08 0.00 3.17 -0.00 -1.12 -4.64 115.22 108.56 2gi4 n HIS 52 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 2gi4 n HIS 52 Cb 0.66 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 2gi4 n HIS 52 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2gi4 n TYR 53 N 0.00 0.00 -0.29 1.57 4.01 -1.26 -0.34 117.16 120.84 2gi4 n TYR 53 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2gi4 n TYR 53 Cb 0.00 -0.28 0.12 0.00 -0.31 0.00 0.00 39.34 38.87 2gi4 n TYR 53 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gi4 h GLY 54 N 0.00 1.26 0.83 2.72 0.00 -1.85 -2.46 103.07 103.56 2gi4 h GLY 54 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.75 2gi4 h GLY 54 CO 0.00 0.56 -0.11 -0.84 0.00 0.00 0.00 176.54 176.15 2gi4 h THR 55 N 1.17 0.74 -0.16 4.70 2.02 -1.78 -1.34 112.91 118.26 2gi4 h THR 55 Ca 0.29 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.51 2gi4 h THR 55 Cb 0.06 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2gi4 h THR 55 CO -0.04 0.00 0.11 0.07 0.37 0.00 0.00 175.52 176.03 2gi4 h LYS 56 N -0.24 0.04 -0.11 6.66 5.09 -0.57 -2.03 116.57 125.41 2gi4 h LYS 56 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.75 2gi4 h LYS 56 Cb 0.24 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.55 2gi4 h LYS 56 CO -0.05 0.03 0.06 -0.97 -2.09 0.00 0.00 179.45 176.43 2gi4 h ASN 57 N 0.04 0.14 -0.26 7.07 -1.24 -0.78 0.54 115.58 121.10 2gi4 h ASN 57 Ca 0.07 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.90 2gi4 h ASN 57 Cb 0.23 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 2gi4 h ASN 57 CO -0.00 0.18 -0.17 0.11 -1.29 0.00 0.00 177.43 176.25 2gi4 h LYS 58 N 0.08 0.70 0.04 6.67 1.79 -0.86 -1.91 116.57 123.08 2gi4 h LYS 58 Ca 0.04 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2gi4 h LYS 58 Cb 0.07 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2gi4 h LYS 58 CO -0.01 0.83 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.10 2gi4 h LEU 59 N 0.62 -0.04 -1.90 2.94 3.38 -1.15 -2.72 115.31 116.43 2gi4 h LEU 59 Ca 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2gi4 h LEU 59 Cb 0.64 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2gi4 h LEU 59 CO 0.04 0.22 0.07 0.00 0.09 0.00 0.00 178.44 178.86 2gi4 h ALA 60 N 0.64 1.94 0.41 1.53 0.00 -0.83 0.20 119.26 123.15 2gi4 h ALA 60 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2gi4 h ALA 60 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2gi4 h ALA 60 CO 0.01 0.05 -0.20 0.37 0.00 0.00 0.00 179.25 179.49 2gi4 h GLN 61 N 0.13 -0.53 0.00 0.00 4.15 -1.04 -3.44 115.11 114.38 2gi4 h GLN 61 Ca 0.04 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2gi4 h GLN 61 Cb 0.00 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2gi4 h GLN 61 CO -0.01 -0.35 0.00 1.47 -1.93 0.00 0.00 178.83 178.01 2gi4 n LEU 62 N -5.33 0.00 0.00 -2.39 -0.00 -1.03 -5.11 117.00 103.14 2gi4 n LEU 62 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2gi4 n LEU 62 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 2gi4 n LEU 62 CO 0.36 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.34 2gi4 n ASN 63 N -1.43 0.00 -4.48 1.45 3.02 0.03 -5.02 115.26 108.84 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 3.50 -2.00 2.41 1.01 -1.23 -4.45 121.20 120.44 2gi4 s ILE 64 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.18 2gi4 s ILE 64 Cb 0.00 -2.47 0.15 0.00 0.01 0.00 0.00 42.46 40.15 2gi4 s ILE 64 CO 0.00 0.54 0.70 1.21 0.00 0.00 0.00 174.94 177.39 2gi4 n GLU 65 N 3.08 0.25 -3.97 2.79 2.13 -1.26 -4.41 120.64 119.25 2gi4 n GLU 65 Ca -0.18 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.30 2gi4 n GLU 65 Cb 0.53 -1.33 -0.14 0.00 0.27 0.00 0.00 31.44 30.76 2gi4 n GLU 65 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2gi4 s HIS 66 N -2.00 3.10 -0.42 4.31 2.46 -1.26 -4.97 115.29 116.51 2gi4 s HIS 66 Ca 0.08 -1.66 0.11 0.00 0.47 0.00 0.00 55.06 54.05 2gi4 s HIS 66 Cb 0.04 -2.05 0.40 0.00 -0.13 0.00 0.00 32.58 30.83 2gi4 s HIS 66 CO 0.06 -0.75 0.93 1.63 -2.47 0.00 0.00 174.74 174.14 2gi4 n LYS 67 N 4.64 2.10 -1.82 2.88 4.01 -1.26 -4.93 118.16 123.78 2gi4 n LYS 67 Ca -0.16 -3.94 0.00 0.00 -0.51 0.00 0.00 58.31 53.71 2gi4 n LYS 67 Cb 0.46 -1.82 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 2gi4 n LYS 67 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2gi4 n ASN 68 N -0.11 -7.83 -3.89 4.39 4.13 -1.26 -4.52 115.26 106.16 2gi4 n ASN 68 Ca 0.25 1.16 -0.29 0.00 1.68 0.00 0.00 54.58 57.38 2gi4 n ASN 68 Cb 0.65 -4.41 -0.13 0.00 -1.54 0.00 0.00 39.78 34.35 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 -0.43 3.23 -0.23 3.10 0.40 -1.26 -4.39 117.98 118.39 2gi4 s PHE 69 Ca 0.00 -3.19 -0.03 0.00 -0.60 0.00 0.00 56.93 53.11 2gi4 s PHE 69 Cb 0.00 -2.65 0.12 0.00 0.51 0.00 0.00 43.02 41.00 2gi4 s PHE 69 CO 0.00 -0.65 0.32 0.99 0.70 0.00 0.00 175.22 176.58 2gi4 s THR 70 N -0.81 -0.49 -0.14 0.64 2.01 0.40 -4.97 115.64 112.29 2gi4 s THR 70 Ca 0.21 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 2gi4 s THR 70 Cb -0.15 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 2gi4 s THR 70 CO -0.09 -0.17 2.02 -0.94 -0.69 0.00 0.00 174.62 174.75 2gi4 s SER 71 N 2.46 5.95 0.04 3.53 1.04 -1.09 -4.43 113.70 121.19 2gi4 s SER 71 Ca 0.10 2.07 0.05 0.00 0.48 0.00 0.00 55.95 58.65 2gi4 s SER 71 Cb -0.15 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2gi4 s SER 71 CO -0.16 -1.54 -0.10 -0.54 0.98 0.00 0.00 173.24 171.88 2gi4 s LYS 72 N 5.44 2.33 -0.41 4.02 1.02 -0.26 -4.93 119.74 126.95 2gi4 s LYS 72 Ca 0.91 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 56.05 2gi4 s LYS 72 Cb -0.34 -2.38 0.12 0.00 -0.52 0.00 0.00 37.83 34.71 2gi4 s LYS 72 CO 0.36 0.56 0.19 -1.59 -0.92 0.00 0.00 175.35 173.95 2gi4 s LYS 73 N -1.69 1.25 0.16 1.68 -2.85 -1.26 -2.65 119.74 114.37 2gi4 s LYS 73 Ca 0.18 -1.85 -0.33 0.00 -1.00 0.00 0.00 55.97 52.97 2gi4 s LYS 73 Cb -0.11 -2.46 -0.13 0.00 -2.06 0.00 0.00 37.83 33.07 2gi4 s LYS 73 CO 0.09 -1.09 1.66 -0.11 0.10 0.00 0.00 175.35 176.00 2gi4 n LEU 74 N 3.87 3.46 0.00 2.77 0.00 -0.45 -4.84 117.00 121.81 2gi4 n LEU 74 Ca 0.05 1.06 -0.12 0.00 0.00 0.00 0.00 56.01 57.00 2gi4 n LEU 74 Cb 0.37 -1.48 -0.03 0.00 0.00 0.00 0.00 43.42 42.28 2gi4 n LEU 74 CO 0.22 -0.10 -0.08 0.35 0.00 0.00 0.00 177.39 177.78 2gi4 n THR 75 N 3.78 0.00 -0.22 1.96 -2.24 -1.26 -4.70 114.28 111.59 2gi4 n THR 75 Ca 0.17 -1.06 -0.08 0.00 -2.27 0.00 0.00 64.05 60.82 2gi4 n THR 75 Cb 0.31 0.32 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 2gi4 n THR 75 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2gi4 h GLN 76 N 0.00 0.97 -0.75 -0.78 4.20 -1.94 -1.79 115.11 115.02 2gi4 h GLN 76 Ca -0.16 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.35 2gi4 h GLN 76 Cb 0.55 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2gi4 h GLN 76 CO 0.25 0.88 0.49 0.87 -0.67 0.00 0.00 178.83 180.64 2gi4 h LYS 77 N 0.89 0.95 -0.30 1.46 1.57 -1.98 -0.34 116.57 118.82 2gi4 h LYS 77 Ca 0.20 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2gi4 h LYS 77 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2gi4 h LYS 77 CO -0.00 0.63 0.09 -0.07 -0.57 0.00 0.00 179.45 179.53 2gi4 h LEU 78 N 0.97 0.43 -1.05 2.94 3.38 -1.89 -2.79 115.31 117.31 2gi4 h LEU 78 Ca 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2gi4 h LEU 78 Cb -0.06 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2gi4 h LEU 78 CO -0.08 0.52 0.52 0.00 0.09 0.00 0.00 178.44 179.49 2gi4 h ASP 80 N 1.19 0.00 0.00 0.00 5.19 -0.81 -3.05 116.42 118.94 2gi4 h ASP 80 Ca 0.31 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 2gi4 h ASP 80 Cb -0.05 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.46 2gi4 h ASP 80 CO -0.06 0.01 -0.06 -0.33 -3.12 0.00 0.00 179.24 175.68 2gi4 h GLU 81 N 0.00 0.00 -7.28 3.56 5.08 -0.87 -3.47 114.58 111.60 2gi4 h GLU 81 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2gi4 h GLU 81 Cb 0.13 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.54 2gi4 h GLU 81 CO 0.00 0.18 0.28 -1.54 -1.00 0.00 0.00 179.01 176.93 2gi4 s SER 82 N -5.69 3.71 -0.02 1.42 1.04 -1.05 -4.83 113.70 108.28 2gi4 s SER 82 Ca -0.05 2.03 0.14 0.00 0.48 0.00 0.00 55.95 58.56 2gi4 s SER 82 Cb -0.00 -2.55 -0.21 0.00 0.10 0.00 0.00 66.02 63.36 2gi4 s SER 82 CO 0.14 -2.57 0.30 0.47 0.98 0.00 0.00 173.24 172.56 2gi4 n ASP 83 N -3.81 1.87 -3.91 7.02 9.92 -0.41 -4.93 116.55 122.30 2gi4 n ASP 83 Ca 0.11 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.09 2gi4 n ASP 83 Cb 0.52 1.62 -0.17 0.00 -0.64 0.00 0.00 41.12 42.45 2gi4 n ASP 83 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2gi4 s PHE 84 N -2.95 1.55 -0.16 1.24 0.40 -0.75 -5.01 117.98 112.31 2gi4 s PHE 84 Ca -0.05 -0.82 -0.17 0.00 -0.60 0.00 0.00 56.93 55.29 2gi4 s PHE 84 Cb 0.09 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 2gi4 s PHE 84 CO 0.57 -0.54 0.42 -0.51 0.70 0.00 0.00 175.22 175.86 2gi4 s LEU 85 N 1.69 4.22 -0.15 -0.37 2.01 -0.33 -1.05 118.68 124.70 2gi4 s LEU 85 Ca 0.04 0.65 -0.01 0.00 0.01 0.00 0.00 54.13 54.82 2gi4 s LEU 85 Cb -0.13 -2.58 0.04 0.00 0.01 0.00 0.00 46.19 43.53 2gi4 s LEU 85 CO -0.08 -0.02 -0.03 -0.63 1.01 0.00 0.00 176.35 176.60 2gi4 s ILE 86 N 0.91 0.84 0.11 -0.59 1.01 -0.51 -1.65 121.20 121.33 2gi4 s ILE 86 Ca 0.22 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.52 2gi4 s ILE 86 Cb -0.15 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 2gi4 s ILE 86 CO 0.08 0.12 -0.18 0.42 0.00 0.00 0.00 174.94 175.38 2gi4 s THR 87 N 1.75 2.85 -0.05 2.92 -4.23 -0.22 -1.28 115.64 117.37 2gi4 s THR 87 Ca 0.02 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2gi4 s THR 87 Cb -0.15 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.32 2gi4 s THR 87 CO -0.07 0.12 0.13 0.23 -0.54 0.00 0.00 174.62 174.48 2gi4 n MET 88 N 0.85 1.22 -2.77 3.99 0.00 -1.26 -1.12 117.12 118.03 2gi4 n MET 88 Ca -0.16 -0.04 -0.41 0.00 0.00 0.00 0.00 57.70 57.09 2gi4 n MET 88 Cb 0.53 -1.04 -0.04 0.00 0.00 0.00 0.00 33.22 32.67 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 -2.35 7.35 0.54 7.83 1.11 -1.26 -4.02 116.67 125.87 2gi4 s ASP 89 Ca -0.01 1.63 0.21 0.00 0.18 0.00 0.00 52.55 54.55 2gi4 s ASP 89 Cb 0.03 -2.55 1.40 0.00 1.07 0.00 0.00 42.92 42.87 2gi4 s ASP 89 CO 0.21 -0.18 2.13 -1.13 1.18 0.00 0.00 175.17 177.38 2gi4 h ASN 90 N 6.42 0.00 0.91 0.27 -0.73 -1.96 -1.09 115.58 119.40 2gi4 h ASN 90 Ca -0.42 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 57.63 2gi4 h ASN 90 Cb 1.21 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.78 2gi4 h ASN 90 CO 0.74 0.00 -1.16 0.28 -0.37 0.00 0.00 177.43 176.92 2gi4 h SER 91 N 0.00 0.00 -0.01 1.15 0.02 -2.02 -3.34 113.55 109.35 2gi4 h SER 91 Ca 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2gi4 h SER 91 Cb 0.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 2gi4 h SER 91 CO -0.00 0.45 0.01 -1.13 -1.14 0.00 0.00 176.83 175.01 2gi4 h ASN 92 N 0.00 0.02 -0.09 3.07 -0.73 -1.58 -1.73 115.58 114.53 2gi4 h ASN 92 Ca -0.10 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.05 2gi4 h ASN 92 Cb 1.43 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 40.01 2gi4 h ASN 92 CO 0.04 0.03 0.02 0.15 -0.37 0.00 0.00 177.43 177.29 2gi4 h PHE 93 N 0.03 0.16 0.00 0.67 3.57 -1.67 -1.39 116.94 118.32 2gi4 h PHE 93 Ca 0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2gi4 h PHE 93 Cb 0.01 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2gi4 h PHE 93 CO 0.00 0.35 -0.31 1.57 -2.23 0.00 0.00 178.31 177.70 2gi4 h LYS 94 N -0.07 0.00 0.48 1.11 2.10 -1.64 -1.85 116.57 116.69 2gi4 h LYS 94 Ca 0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 2gi4 h LYS 94 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2gi4 h LYS 94 CO 0.00 0.31 -0.23 -0.91 -2.00 0.00 0.00 179.45 176.62 2gi4 h ASN 95 N 0.00 -0.54 0.18 7.07 -0.26 -1.07 -3.07 115.58 117.89 2gi4 h ASN 95 Ca -0.00 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 2gi4 h ASN 95 Cb 0.56 0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.96 2gi4 h ASN 95 CO 0.04 -0.16 -0.05 -0.37 -1.06 0.00 0.00 177.43 175.83 2gi4 h VAL 96 N -1.00 0.44 -0.57 2.81 -1.51 -1.22 0.31 116.25 115.51 2gi4 h VAL 96 Ca -0.07 -0.22 0.06 0.00 -1.23 0.00 0.00 66.70 65.25 2gi4 h VAL 96 Cb 0.59 1.15 -0.06 0.00 -2.13 0.00 0.00 31.29 30.84 2gi4 h VAL 96 CO 0.11 0.04 0.26 0.25 -1.23 0.00 0.00 177.57 177.01 2gi4 h LEU 97 N 0.00 0.34 -0.75 4.19 5.85 -1.23 -2.59 115.31 121.12 2gi4 h LEU 97 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2gi4 h LEU 97 Cb 0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2gi4 h LEU 97 CO 0.01 0.22 -0.47 1.17 -0.34 0.00 0.00 178.44 179.03 2gi4 n LYS 98 N -4.91 1.47 0.05 1.25 4.81 -0.99 -4.55 118.16 115.30 2gi4 n LYS 98 Ca 0.07 -0.71 -0.10 0.00 -0.87 0.00 0.00 58.31 56.69 2gi4 n LYS 98 Cb 0.19 -1.34 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 2gi4 n LYS 98 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2gi4 h ASN 99 N 1.65 -0.19 -5.89 3.14 -1.24 -0.58 -3.47 115.58 108.99 2gi4 h ASN 99 Ca 0.00 -0.32 -0.36 0.00 0.71 0.00 0.00 56.30 56.34 2gi4 h ASN 99 Cb 0.58 0.05 0.02 0.00 0.73 0.00 0.00 38.32 39.71 2gi4 h ASN 99 CO 0.00 0.37 -0.05 0.49 -1.29 0.00 0.00 177.43 176.95 2gi4 n PHE 100 N -4.92 -2.49 -0.26 0.67 3.72 -1.01 -5.00 117.46 108.16 2gi4 n PHE 100 Ca -0.07 -1.56 0.00 0.00 -0.05 0.00 0.00 57.45 55.77 2gi4 n PHE 100 Cb 0.25 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 2gi4 n PHE 100 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2gi4 n THR 101 N -1.95 0.00 0.45 4.37 -2.24 -1.26 -4.78 114.28 108.88 2gi4 n THR 101 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2gi4 n THR 101 Cb 0.44 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2gi4 n THR 101 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2gi4 n ASN 102 N -2.50 0.04 -0.63 3.42 2.85 -1.26 -2.86 115.26 114.33 2gi4 n ASN 102 Ca 0.00 -0.49 0.05 0.00 -0.11 0.00 0.00 54.58 54.03 2gi4 n ASN 102 Cb 0.00 -0.02 0.15 0.00 1.24 0.00 0.00 39.78 41.14 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2gi4 n THR 103 N -0.35 0.47 0.27 -0.44 5.66 -1.26 -4.17 114.28 114.46 2gi4 n THR 103 Ca 0.00 -0.44 0.16 0.00 -3.05 0.00 0.00 64.05 60.71 2gi4 n THR 103 Cb 0.01 0.19 0.84 0.00 -1.55 0.00 0.00 70.33 69.82 2gi4 n THR 103 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2gi4 h GLN 104 N 1.89 0.00 0.00 1.09 7.50 -1.84 0.02 115.11 123.78 2gi4 h GLN 104 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2gi4 h GLN 104 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.00 2gi4 h GLN 104 CO 0.01 0.00 0.00 0.09 -1.50 0.00 0.00 178.83 177.43 2gi4 n ASN 105 N -2.67 0.00 -1.27 1.46 5.03 -1.26 -2.09 115.26 114.46 2gi4 n ASN 105 Ca -0.02 -0.63 0.09 0.00 0.87 0.00 0.00 54.58 54.88 2gi4 n ASN 105 Cb 0.17 0.00 0.30 0.00 -1.02 0.00 0.00 39.78 39.23 2gi4 n ASN 105 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2gi4 n LYS 106 N -0.94 3.42 -4.47 3.52 5.02 -0.01 -4.95 118.16 119.76 2gi4 n LYS 106 Ca 0.12 -2.72 -0.34 0.00 -2.02 0.00 0.00 58.31 53.35 2gi4 n LYS 106 Cb 0.05 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.20 2gi4 n LYS 106 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gi4 s VAL 107 N -1.85 4.04 -0.03 -0.18 1.01 -0.89 -1.18 120.40 121.31 2gi4 s VAL 107 Ca 0.44 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2gi4 s VAL 107 Cb 0.29 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2gi4 s VAL 107 CO 0.20 0.59 -0.13 -1.48 0.00 0.00 0.00 175.10 174.28 2gi4 s LEU 108 N -0.67 1.85 0.16 3.92 2.34 -0.66 -4.98 118.68 120.64 2gi4 s LEU 108 Ca 0.10 -0.27 -0.15 0.00 0.06 0.00 0.00 54.13 53.87 2gi4 s LEU 108 Cb -0.12 -0.76 -0.07 0.00 -0.56 0.00 0.00 46.19 44.68 2gi4 s LEU 108 CO 0.02 0.11 0.58 -1.59 -1.06 0.00 0.00 176.35 174.41 2gi4 s LYS 109 N 0.12 4.02 0.07 1.48 -2.85 -1.23 -1.05 119.74 120.30 2gi4 s LYS 109 Ca -0.03 0.55 0.12 0.00 -1.00 0.00 0.00 55.97 55.61 2gi4 s LYS 109 Cb -0.10 -2.91 -0.17 0.00 -2.06 0.00 0.00 37.83 32.60 2gi4 s LYS 109 CO 0.01 0.46 0.99 0.82 0.10 0.00 0.00 175.35 177.72 2gi4 h ILE 110 N 2.76 1.04 -0.43 3.79 1.08 -1.33 -3.23 117.51 121.18 2gi4 h ILE 110 Ca -0.48 -2.71 0.04 0.00 -0.39 0.00 0.00 64.86 61.32 2gi4 h ILE 110 Cb 1.19 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 37.39 2gi4 h ILE 110 CO 0.66 0.59 0.29 0.74 -0.69 0.00 0.00 178.15 179.74 2gi4 h THR 111 N 0.00 1.01 0.00 -0.27 2.02 -1.84 0.75 112.91 114.59 2gi4 h THR 111 Ca -0.14 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 2gi4 h THR 111 Cb 1.77 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 2gi4 h THR 111 CO 0.09 0.08 -0.66 -0.78 0.37 0.00 0.00 175.52 174.62 2gi4 h ASP 112 N 0.43 0.00 0.98 4.18 3.58 -1.94 -3.19 116.42 120.47 2gi4 h ASP 112 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2gi4 h ASP 112 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2gi4 h ASP 112 CO -0.04 0.53 -0.52 -0.26 -2.88 0.00 0.00 179.24 176.07 2gi4 h PHE 113 N 0.00 0.00 -2.18 0.28 0.04 -0.95 -3.37 116.94 110.75 2gi4 h PHE 113 Ca -0.03 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.17 2gi4 h PHE 113 Cb 1.43 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 39.17 2gi4 h PHE 113 CO 0.00 0.00 -0.76 -1.13 -0.60 0.00 0.00 178.31 175.82 2gi4 n SER 114 N -2.16 3.23 -0.01 2.17 3.41 0.24 -4.87 113.62 115.64 2gi4 n SER 114 Ca 0.04 -3.40 0.15 0.00 -0.26 0.00 0.00 58.87 55.39 2gi4 n SER 114 Cb 0.44 -0.61 0.73 0.00 -0.26 0.00 0.00 64.21 64.51 2gi4 n SER 114 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2gi4 n PRO 115 N 0.36 0.39 0.26 4.33 -0.04 -1.24 -2.74 135.00 136.32 2gi4 n PRO 115 Ca 0.29 -0.01 0.17 0.00 -0.04 0.00 0.00 63.50 63.90 2gi4 n PRO 115 Cb 0.45 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 33.09 2gi4 n PRO 115 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2gi4 h SER 116 N 0.03 0.00 0.00 3.54 0.87 -1.91 -3.34 113.55 112.74 2gi4 h SER 116 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2gi4 h SER 116 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2gi4 h SER 116 CO 0.00 0.00 -0.99 0.18 -0.53 0.00 0.00 176.83 175.49 2gi4 n LEU 117 N -2.99 1.46 -2.78 2.23 4.77 -1.22 -5.11 117.00 113.37 2gi4 n LEU 117 Ca 0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2gi4 n LEU 117 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2gi4 n LEU 117 CO 0.26 0.24 -0.48 -3.20 -1.33 0.00 0.00 177.39 172.88 2gi4 n ASN 118 N -2.75 -7.90 -2.04 -1.43 4.05 -1.11 -5.05 115.26 99.03 2gi4 n ASN 118 Ca 0.00 1.31 -0.00 0.00 0.45 0.00 0.00 54.58 56.33 2gi4 n ASN 118 Cb 0.50 -4.97 0.00 0.00 1.23 0.00 0.00 39.78 36.54 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 0.73 -1.90 -3.62 1.20 0.18 -1.26 -5.11 117.16 107.38 2gi4 n TYR 119 Ca 0.00 -0.03 -0.29 0.00 1.88 0.00 0.00 57.90 59.47 2gi4 n TYR 119 Cb 0.07 -0.01 -0.12 0.00 -0.38 0.00 0.00 39.34 38.90 2gi4 n TYR 119 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2gi4 s ASP 120 N -1.05 3.17 -0.24 9.48 1.01 -1.26 -4.98 116.67 122.80 2gi4 s ASP 120 Ca 0.01 -2.83 -0.05 0.00 0.71 0.00 0.00 52.55 50.38 2gi4 s ASP 120 Cb -0.00 -0.87 0.02 0.00 1.01 0.00 0.00 42.92 43.08 2gi4 s ASP 120 CO 0.00 -0.23 0.11 -0.62 0.21 0.00 0.00 175.17 174.64 2gi4 n GLU 121 N 3.24 -3.75 -1.13 8.23 1.02 -1.26 -4.80 120.64 122.19 2gi4 n GLU 121 Ca 0.16 2.94 0.12 0.00 -0.02 0.00 0.00 57.16 60.35 2gi4 n GLU 121 Cb 0.38 -4.98 -0.06 0.00 -0.02 0.00 0.00 31.44 26.77 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 1.08 -0.38 -0.04 2.62 0.24 -1.26 -4.85 118.33 115.73 2gi4 n VAL 122 Ca -0.18 0.51 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 2gi4 n VAL 122 Cb 0.28 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 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 -3.75 3.56 -0.62 7.34 -0.04 -1.26 -4.68 135.00 135.54 2gi4 n PRO 123 Ca -0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 2gi4 n PRO 123 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 2gi4 n PRO 123 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2gi4 n ASP 124 N 0.00 -3.33 0.29 3.54 5.75 -1.25 -3.98 116.55 117.57 2gi4 n ASP 124 Ca 0.00 0.68 0.16 0.00 -0.01 0.00 0.00 54.79 55.62 2gi4 n ASP 124 Cb 0.00 -1.79 0.87 0.00 -1.03 0.00 0.00 41.12 39.18 2gi4 n ASP 124 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2gi4 h PRO 125 N -0.29 0.00 -0.38 0.11 0.13 -1.70 -0.93 132.00 128.95 2gi4 h PRO 125 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2gi4 h PRO 125 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2gi4 h PRO 125 CO 0.02 0.05 0.13 2.35 -0.23 0.00 0.00 178.00 180.32 2gi4 h TRP 126 N 0.00 0.54 0.00 1.56 7.01 -1.89 -2.58 115.95 120.59 2gi4 h TRP 126 Ca -0.00 -0.02 -0.37 0.00 2.11 0.00 0.00 58.89 60.61 2gi4 h TRP 126 Cb 0.18 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.02 2gi4 h TRP 126 CO 0.00 0.44 -2.30 0.66 -2.79 0.00 0.00 178.44 174.45 2gi4 n TYR 127 N -4.37 0.00 -0.10 2.65 4.02 -0.98 -4.87 117.16 113.52 2gi4 n TYR 127 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 2gi4 n TYR 127 Cb 0.16 -0.85 -0.04 0.00 -0.02 0.00 0.00 39.34 38.58 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 -3.68 1.94 0.00 7.72 2.88 -0.39 -4.91 113.62 117.18 2gi4 n SER 128 Ca -0.44 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2gi4 n SER 128 Cb 0.87 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 1.43 0.93 2.98 0.46 0.00 -0.97 -4.94 105.19 105.07 2gi4 n GLY 129 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.96 0.03 0.03 1.61 2.47 -1.26 -4.77 114.94 112.10 2gi4 s ASN 130 Ca 0.00 -0.10 -0.13 0.00 0.42 0.00 0.00 52.86 53.06 2gi4 s ASN 130 Cb 0.00 0.13 -0.34 0.00 -1.45 0.00 0.00 41.25 39.60 2gi4 s ASN 130 CO 0.00 -0.15 1.01 -0.26 -3.72 0.00 0.00 177.10 173.97 2gi4 h PHE 131 N 5.38 0.85 0.00 0.43 0.04 -1.90 -2.23 116.94 119.52 2gi4 h PHE 131 Ca -0.28 -0.62 -0.01 0.00 2.80 0.00 0.00 57.97 59.86 2gi4 h PHE 131 Cb 1.20 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 2gi4 h PHE 131 CO 0.51 1.51 -0.06 -0.44 -0.60 0.00 0.00 178.31 179.22 2gi4 h ASP 132 N 0.13 0.00 -0.76 2.17 3.32 -1.97 -2.79 116.42 116.52 2gi4 h ASP 132 Ca -0.24 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.91 2gi4 h ASP 132 Cb 2.12 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.62 2gi4 h ASP 132 CO 0.25 0.06 0.50 -0.08 -1.72 0.00 0.00 179.24 178.25 2gi4 h GLU 133 N 0.00 0.64 -0.22 3.56 4.57 -1.94 -2.15 114.58 119.04 2gi4 h GLU 133 Ca -0.00 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2gi4 h GLU 133 Cb 0.38 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2gi4 h GLU 133 CO 0.01 0.42 0.03 1.79 -1.18 0.00 0.00 179.01 180.08 2gi4 h THR 134 N 0.66 0.89 -0.18 0.32 1.35 -1.67 -1.68 112.91 112.60 2gi4 h THR 134 Ca 0.35 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 66.16 2gi4 h THR 134 Cb 0.48 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2gi4 h THR 134 CO -0.13 0.02 0.08 0.22 -0.25 0.00 0.00 175.52 175.46 2gi4 h TYR 135 N 0.11 0.26 -0.03 4.73 3.20 -1.59 0.81 116.97 124.47 2gi4 h TYR 135 Ca 0.10 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.99 2gi4 h TYR 135 Cb 0.10 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 2gi4 h TYR 135 CO -0.16 0.31 -0.24 0.87 -1.64 0.00 0.00 178.16 177.30 2gi4 h LYS 136 N 0.14 -0.34 -0.44 1.82 6.56 -1.26 0.17 116.57 123.21 2gi4 h LYS 136 Ca 0.06 0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.54 2gi4 h LYS 136 Cb 0.15 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2gi4 h LYS 136 CO -0.01 -0.23 -0.27 0.82 -2.06 0.00 0.00 179.45 177.71 2gi4 h ILE 137 N -0.36 1.27 0.49 1.86 1.08 -1.29 -2.36 117.51 118.22 2gi4 h ILE 137 Ca 0.07 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.09 2gi4 h ILE 137 Cb 0.45 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2gi4 h ILE 137 CO -0.23 0.49 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.41 2gi4 h LEU 138 N 0.80 -0.56 -0.74 1.44 -0.00 -0.57 -0.04 115.31 115.65 2gi4 h LEU 138 Ca 0.09 -0.07 0.07 0.00 -0.00 0.00 0.00 57.88 57.97 2gi4 h LEU 138 Cb 0.84 0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 41.58 2gi4 h LEU 138 CO 0.07 -0.19 0.42 0.77 -0.00 0.00 0.00 178.44 179.52 2gi4 h SER 139 N -0.99 0.63 -0.11 -0.43 4.64 -0.77 0.43 113.55 116.96 2gi4 h SER 139 Ca -0.07 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 2gi4 h SER 139 Cb 0.60 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2gi4 h SER 139 CO 0.11 0.40 -0.04 0.25 -0.87 0.00 0.00 176.83 176.68 2gi4 h LEU 140 N 0.76 0.23 -0.17 5.97 5.85 -1.46 -2.42 115.31 124.07 2gi4 h LEU 140 Ca 0.33 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2gi4 h LEU 140 Cb 0.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2gi4 h LEU 140 CO -0.19 0.58 0.09 0.00 -0.34 0.00 0.00 178.44 178.58 2gi4 h ALA 141 N 0.66 0.21 -0.31 1.25 0.00 -0.71 -0.65 119.26 119.71 2gi4 h ALA 141 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gi4 h ALA 141 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2gi4 h ALA 141 CO 0.01 -0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.18 2gi4 h LYS 143 N 0.36 -0.79 -0.35 0.00 3.64 -1.33 0.14 116.57 118.24 2gi4 h LYS 143 Ca 0.12 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 2gi4 h LYS 143 Cb 0.01 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 2gi4 h LYS 143 CO -0.07 -0.53 -0.16 -0.97 -2.27 0.00 0.00 179.45 175.46 2gi4 h ASN 144 N -0.95 -0.54 0.09 4.20 -0.73 -1.14 0.10 115.58 116.61 2gi4 h ASN 144 Ca -0.08 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 2gi4 h ASN 144 Cb 0.63 0.30 -0.00 0.00 0.27 0.00 0.00 38.32 39.52 2gi4 h ASN 144 CO 0.14 -0.19 -0.07 0.25 -0.37 0.00 0.00 177.43 177.19 2gi4 h LEU 145 N -0.10 0.00 -0.57 0.34 5.85 -0.87 -1.76 115.31 118.20 2gi4 h LEU 145 Ca 0.18 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 2gi4 h LEU 145 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2gi4 h LEU 145 CO -0.41 0.07 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.53 2gi4 h LEU 146 N 0.00 1.00 -0.08 2.25 3.38 0.13 0.12 115.31 122.11 2gi4 h LEU 146 Ca -0.00 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2gi4 h LEU 146 Cb 0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2gi4 h LEU 146 CO 0.01 1.13 -0.07 0.58 0.09 0.00 0.00 178.44 180.18 2gi4 h VAL 147 N 0.87 1.36 -0.72 1.22 2.07 -0.51 -1.48 116.25 119.05 2gi4 h VAL 147 Ca 0.13 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 2gi4 h VAL 147 Cb 0.72 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2gi4 h VAL 147 CO 0.06 0.33 0.19 0.15 0.02 0.00 0.00 177.57 178.32 2gi4 h PHE 148 N -0.23 1.19 -0.31 1.57 3.57 -1.36 0.14 116.94 121.51 2gi4 h PHE 148 Ca 0.01 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 2gi4 h PHE 148 Cb 0.57 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2gi4 h PHE 148 CO 0.09 0.96 -0.11 1.25 -2.23 0.00 0.00 178.31 178.26 2gi4 h LEU 149 N 1.08 0.51 0.00 0.59 6.46 -0.76 -1.93 115.31 121.26 2gi4 h LEU 149 Ca 0.23 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2gi4 h LEU 149 Cb 0.36 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2gi4 h LEU 149 CO -0.00 0.66 -0.27 -1.54 -0.62 0.00 0.00 178.44 176.67 2gi4 n SER 150 N -4.20 0.32 -2.77 1.25 3.41 -0.56 -5.00 113.62 106.06 2gi4 n SER 150 Ca 0.01 0.15 -0.03 0.00 -0.26 0.00 0.00 58.87 58.74 2gi4 n SER 150 Cb 0.32 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2gi4 n SER 150 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2gi4 n LYS 151 N -1.60 -3.11 0.00 4.33 4.76 0.44 -5.03 118.16 117.96 2gi4 n LYS 151 Ca 0.06 2.56 0.00 0.00 -2.87 0.00 0.00 58.31 58.06 2gi4 n LYS 151 Cb 0.35 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.12 2gi4 n LYS 151 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2gi4 n HIS 152 N 0.38 0.00 -3.53 2.13 -0.00 -1.14 -5.03 115.22 108.03 2gi4 n HIS 152 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.61 2gi4 n HIS 152 Cb 0.16 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.99 29.87 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 -0.80 -0.54 0.00 1.57 -3.43 -1.26 -5.05 115.29 105.77 2gi4 s HIS 153 Ca 0.00 0.88 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 2gi4 s HIS 153 Cb 0.00 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 2gi4 s HIS 153 CO 0.00 -0.54 0.04 1.58 -2.00 0.00 0.00 174.74 173.82 2gi4 n HIS 154 N 0.72 0.00 -2.70 0.38 -0.00 -1.26 -5.09 115.22 107.27 2gi4 n HIS 154 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.53 2gi4 n HIS 154 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.54 2gi4 n HIS 154 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2gi4 n HIS 155 N -0.14 -3.88 1.89 1.57 8.25 -1.26 -5.34 115.22 116.31 2gi4 n HIS 155 Ca 0.00 2.04 0.16 0.00 -0.26 0.00 0.00 57.72 59.66 2gi4 n HIS 155 Cb 0.06 -3.68 0.86 0.00 1.12 0.00 0.00 29.99 28.35 2gi4 n HIS 155 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59