#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 2.14 -0.05 0.03 3.01 -1.26 -4.92 119.74 118.68 2gi4 s LYS 2 Ca 0.00 -1.45 0.05 0.00 -1.01 0.00 0.00 55.97 53.56 2gi4 s LYS 2 Cb 0.00 -3.06 -0.00 0.00 -1.01 0.00 0.00 37.83 33.76 2gi4 s LYS 2 CO 0.00 -0.67 -0.20 0.15 0.51 0.00 0.00 175.35 175.13 2gi4 s LYS 3 N 1.11 2.15 -0.23 1.68 1.02 -1.26 -2.05 119.74 122.15 2gi4 s LYS 3 Ca -0.04 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.24 2gi4 s LYS 3 Cb -0.20 -1.82 0.06 0.00 -0.52 0.00 0.00 37.83 35.34 2gi4 s LYS 3 CO -0.04 0.28 -0.08 0.42 -0.92 0.00 0.00 175.35 175.00 2gi4 s ILE 4 N 0.02 1.72 -0.41 2.17 -1.09 -0.83 -1.59 121.20 121.19 2gi4 s ILE 4 Ca -0.05 -1.28 -0.17 0.00 -2.23 0.00 0.00 60.65 56.92 2gi4 s ILE 4 Cb -0.13 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.86 2gi4 s ILE 4 CO 0.03 -0.01 0.42 -0.22 -1.23 0.00 0.00 174.94 173.93 2gi4 s LEU 5 N 1.32 4.81 -0.06 2.97 0.20 -0.37 -2.03 118.68 125.52 2gi4 s LEU 5 Ca -0.06 -0.61 -0.16 0.00 0.69 0.00 0.00 54.13 53.99 2gi4 s LEU 5 Cb -0.18 -2.37 -0.05 0.00 -0.43 0.00 0.00 46.19 43.15 2gi4 s LEU 5 CO -0.06 -0.54 0.44 -0.36 -0.29 0.00 0.00 176.35 175.54 2gi4 s PHE 6 N 2.10 3.62 -0.28 5.38 0.08 0.62 -2.15 117.98 127.36 2gi4 s PHE 6 Ca 0.12 0.94 0.00 0.00 0.12 0.00 0.00 56.93 58.11 2gi4 s PHE 6 Cb -0.17 -2.42 0.05 0.00 -0.57 0.00 0.00 43.02 39.92 2gi4 s PHE 6 CO 0.13 0.41 -0.04 0.42 -0.10 0.00 0.00 175.22 176.04 2gi4 s ILE 7 N -0.25 2.66 -0.13 0.64 1.01 -0.92 -1.51 121.20 122.69 2gi4 s ILE 7 Ca 0.24 -1.49 -0.00 0.00 0.00 0.00 0.00 60.65 59.40 2gi4 s ILE 7 Cb -0.16 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2gi4 s ILE 7 CO 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 174.94 174.87 2gi4 h LEU 9 N 6.58 0.00 -6.83 0.00 5.85 -1.95 -3.35 115.31 115.61 2gi4 h LEU 9 Ca -0.28 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 57.86 2gi4 h LEU 9 Cb 1.21 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.84 2gi4 h LEU 9 CO 0.56 0.01 -0.79 -0.83 -0.34 0.00 0.00 178.44 177.06 2gi4 s GLY 10 N -4.13 0.97 -0.03 3.75 0.00 -1.26 -4.66 107.32 101.95 2gi4 s GLY 10 Ca -0.05 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.86 2gi4 s GLY 10 CO 0.52 1.88 2.86 -2.01 0.00 0.00 0.00 173.10 176.35 2gi4 n ASN 11 N 4.41 5.39 -0.07 1.64 5.15 -1.26 -3.40 115.26 127.12 2gi4 n ASN 11 Ca 0.04 -2.51 0.00 0.00 -0.60 0.00 0.00 54.58 51.51 2gi4 n ASN 11 Cb 0.39 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 2gi4 n ASN 11 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2gi4 n ILE 12 N 1.93 0.13 0.00 -1.44 -5.35 -1.26 -1.42 119.36 111.96 2gi4 n ILE 12 Ca 0.25 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2gi4 n ILE 12 Cb 0.72 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 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 0.67 -0.09 0.00 1.12 -1.94 -2.93 114.38 111.21 2gi4 h ARG 14 Ca 0.00 -0.73 -0.01 0.00 -1.11 0.00 0.00 59.98 58.13 2gi4 h ARG 14 Cb 0.00 0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2gi4 h ARG 14 CO 0.00 1.31 0.02 0.77 -3.11 0.00 0.00 179.97 178.97 2gi4 h SER 15 N 0.34 0.13 -0.40 -3.80 0.02 -1.90 -2.27 113.55 105.67 2gi4 h SER 15 Ca -0.13 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 2gi4 h SER 15 Cb 1.67 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.16 2gi4 h SER 15 CO 0.20 0.31 0.08 1.55 -1.14 0.00 0.00 176.83 177.83 2gi4 h PRO 16 N -0.06 0.65 0.37 3.45 0.13 -1.78 0.15 132.00 134.90 2gi4 h PRO 16 Ca 0.03 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2gi4 h PRO 16 Cb 0.23 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 2gi4 h PRO 16 CO -0.00 0.68 -0.35 1.98 -0.23 0.00 0.00 178.00 180.08 2gi4 h MET 17 N 0.51 -0.71 0.00 0.86 4.05 -1.54 -1.30 114.93 116.80 2gi4 h MET 17 Ca 0.12 0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 2gi4 h MET 17 Cb 0.34 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2gi4 h MET 17 CO 0.00 -0.47 -0.04 0.00 0.23 0.00 0.00 176.91 176.63 2gi4 h ALA 18 N -0.27 1.07 -0.38 0.39 0.00 -1.41 -2.48 119.26 116.18 2gi4 h ALA 18 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2gi4 h ALA 18 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2gi4 h ALA 18 CO -0.05 0.05 0.11 1.49 0.00 0.00 0.00 179.25 180.85 2gi4 h GLU 19 N 0.00 0.60 -0.20 0.00 4.81 0.18 0.11 114.58 120.08 2gi4 h GLU 19 Ca -0.00 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 2gi4 h GLU 19 Cb 0.32 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2gi4 h GLU 19 CO 0.01 0.62 -0.31 0.35 -0.73 0.00 0.00 179.01 178.95 2gi4 h PHE 20 N 0.47 0.70 0.41 0.92 3.57 -0.99 -2.32 116.94 119.70 2gi4 h PHE 20 Ca 0.12 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 2gi4 h PHE 20 Cb 0.28 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2gi4 h PHE 20 CO 0.01 0.96 -0.21 0.82 -2.23 0.00 0.00 178.31 177.67 2gi4 h ILE 21 N 0.24 0.57 -0.07 1.41 2.04 -1.36 -1.88 117.51 118.47 2gi4 h ILE 21 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2gi4 h ILE 21 Cb 0.89 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2gi4 h ILE 21 CO 0.07 0.00 -0.10 0.24 0.00 0.00 0.00 178.15 178.36 2gi4 h MET 22 N -0.57 -0.14 -0.67 2.37 2.86 -0.84 -1.77 114.93 116.16 2gi4 h MET 22 Ca -0.05 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.72 2gi4 h MET 22 Cb 0.44 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 2gi4 h MET 22 CO 0.08 -0.09 0.45 1.57 1.06 0.00 0.00 176.91 179.98 2gi4 h LYS 23 N -0.15 0.38 0.53 1.72 2.10 -1.36 0.23 116.57 120.04 2gi4 h LYS 23 Ca 0.06 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.66 2gi4 h LYS 23 Cb 0.23 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2gi4 h LYS 23 CO -0.16 0.25 -0.26 0.22 -2.00 0.00 0.00 179.45 177.51 2gi4 h ASP 24 N 0.40 -0.61 0.51 7.07 1.82 -0.52 -3.23 116.42 121.85 2gi4 h ASP 24 Ca 0.32 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.98 2gi4 h ASP 24 Cb 0.72 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 2gi4 h ASP 24 CO -0.09 -0.20 -0.03 -0.07 -1.61 0.00 0.00 179.24 177.24 2gi4 h LEU 25 N -1.18 0.00 -0.02 2.28 3.38 -1.14 -3.07 115.31 115.56 2gi4 h LEU 25 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2gi4 h LEU 25 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2gi4 h LEU 25 CO 0.12 0.03 0.01 0.58 0.09 0.00 0.00 178.44 179.27 2gi4 h VAL 26 N 0.00 1.05 -0.99 1.22 2.07 -0.56 -2.91 116.25 116.13 2gi4 h VAL 26 Ca -0.00 -0.16 0.23 0.00 0.82 0.00 0.00 66.70 67.59 2gi4 h VAL 26 Cb 0.29 1.13 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 2gi4 h VAL 26 CO 0.00 0.04 0.63 0.50 0.02 0.00 0.00 177.57 178.77 2gi4 h LYS 27 N -0.04 0.47 0.13 1.57 3.64 -1.57 1.02 116.57 121.79 2gi4 h LYS 27 Ca 0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2gi4 h LYS 27 Cb 0.06 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2gi4 h LYS 27 CO -0.00 0.31 -0.06 1.57 -2.27 0.00 0.00 179.45 179.00 2gi4 h LYS 28 N 0.49 -0.17 0.00 1.90 5.09 -1.67 -3.39 116.57 118.82 2gi4 h LYS 28 Ca 0.56 0.01 -0.08 0.00 0.09 0.00 0.00 60.65 61.22 2gi4 h LYS 28 Cb 1.27 0.04 -0.18 0.00 0.10 0.00 0.00 32.23 33.45 2gi4 h LYS 28 CO -0.28 0.19 -0.71 0.00 -2.09 0.00 0.00 179.45 176.56 2gi4 n ALA 29 N -2.38 2.73 0.07 0.07 0.00 -1.04 -4.75 120.51 115.21 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 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.25 0.34 0.32 0.00 4.13 0.34 -4.70 115.26 115.44 2gi4 n ASN 30 Ca 0.10 0.24 0.20 0.00 1.68 0.00 0.00 54.58 56.80 2gi4 n ASN 30 Cb 0.90 0.03 1.04 0.00 -1.54 0.00 0.00 39.78 40.22 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 -0.51 3.41 5.85 -1.42 0.53 115.31 123.17 2gi4 h LEU 31 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2gi4 h LEU 31 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2gi4 h LEU 31 CO 0.00 0.01 -0.58 -0.33 -0.34 0.00 0.00 178.44 177.21 2gi4 h GLU 32 N 0.00 0.52 -0.64 1.25 4.39 -1.80 -2.93 114.58 115.38 2gi4 h GLU 32 Ca -0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2gi4 h GLU 32 Cb 0.13 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2gi4 h GLU 32 CO 0.00 0.95 0.00 1.63 -1.16 0.00 0.00 179.01 180.44 2gi4 n LYS 33 N -3.94 3.94 -3.17 2.33 5.02 -0.43 -4.96 118.16 116.95 2gi4 n LYS 33 Ca -0.03 -2.95 -0.12 0.00 -2.02 0.00 0.00 58.31 53.19 2gi4 n LYS 33 Cb 0.62 -1.96 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 2gi4 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gi4 n GLU 34 N 1.04 -2.03 -4.61 1.97 1.02 -0.68 -4.95 120.64 112.40 2gi4 n GLU 34 Ca 0.26 0.96 -0.34 0.00 -0.02 0.00 0.00 57.16 58.03 2gi4 n GLU 34 Cb 0.95 -5.72 -0.12 0.00 -0.02 0.00 0.00 31.44 26.53 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 -3.31 2.94 -0.01 -0.32 0.40 0.05 -4.35 117.98 113.38 2gi4 s PHE 35 Ca 0.37 -0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.68 2gi4 s PHE 35 Cb -0.05 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 2gi4 s PHE 35 CO 0.72 0.23 -0.21 0.12 0.70 0.00 0.00 175.22 176.78 2gi4 s PHE 36 N -0.52 2.48 -0.15 0.36 2.19 -0.87 -4.41 117.98 117.05 2gi4 s PHE 36 Ca 0.08 -0.32 -0.03 0.00 0.33 0.00 0.00 56.93 56.99 2gi4 s PHE 36 Cb -0.12 -1.52 0.05 0.00 -1.31 0.00 0.00 43.02 40.13 2gi4 s PHE 36 CO 0.02 0.11 0.04 0.96 1.83 0.00 0.00 175.22 178.17 2gi4 s ILE 37 N -0.73 0.36 -0.12 3.12 -5.25 -1.26 -1.97 121.20 115.34 2gi4 s ILE 37 Ca 0.12 -0.28 0.03 0.00 -0.99 0.00 0.00 60.65 59.52 2gi4 s ILE 37 Cb -0.10 -0.79 0.01 0.00 2.95 0.00 0.00 42.46 44.52 2gi4 s ILE 37 CO 0.01 -0.09 -0.22 0.54 -1.79 0.00 0.00 174.94 173.40 2gi4 s ASN 38 N 1.95 2.97 -0.14 4.36 4.22 -0.86 -5.01 114.94 122.43 2gi4 s ASN 38 Ca 0.01 -0.55 0.02 0.00 -2.14 0.00 0.00 52.86 50.20 2gi4 s ASN 38 Cb -0.15 -1.37 0.01 0.00 1.28 0.00 0.00 41.25 41.02 2gi4 s ASN 38 CO -0.07 0.10 -0.19 -0.94 -2.04 0.00 0.00 177.10 173.96 2gi4 s SER 39 N 0.63 2.87 0.23 3.54 1.04 -1.26 -0.27 113.70 120.49 2gi4 s SER 39 Ca -0.12 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.81 2gi4 s SER 39 Cb -0.16 -1.32 -0.02 0.00 0.10 0.00 0.00 66.02 64.62 2gi4 s SER 39 CO 0.03 0.03 0.18 0.00 0.98 0.00 0.00 173.24 174.45 2gi4 n ALA 40 N 4.29 0.47 -2.94 5.32 0.00 -0.57 -4.93 120.51 122.16 2gi4 n ALA 40 Ca -0.19 -1.34 -0.05 0.00 0.00 0.00 0.00 53.44 51.85 2gi4 n ALA 40 Cb 0.51 1.05 0.02 0.00 0.00 0.00 0.00 19.45 21.03 2gi4 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gi4 n GLY 41 N -0.33 1.82 0.09 0.00 0.00 -1.24 -1.26 105.19 104.27 2gi4 n GLY 41 Ca 0.04 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.02 1.50 0.00 2.61 1.35 -1.85 -0.14 112.91 116.35 2gi4 h THR 42 Ca -0.06 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 2gi4 h THR 42 Cb 0.26 3.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 2gi4 h THR 42 CO 0.08 0.59 0.00 -1.20 -0.25 0.00 0.00 175.52 174.74 2gi4 n SER 43 N -4.41 1.04 -2.02 5.36 7.64 -1.26 -4.51 113.62 115.46 2gi4 n SER 43 Ca -0.17 -1.30 -0.19 0.00 1.01 0.00 0.00 58.87 58.22 2gi4 n SER 43 Cb 0.63 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.15 0.56 0.35 0.23 0.00 -1.25 -4.88 105.19 100.06 2gi4 n GLY 44 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.64 0.00 1.61 5.08 -1.94 -3.40 114.58 115.29 2gi4 h GLU 45 Ca -0.43 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2gi4 h GLU 45 Cb 1.30 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2gi4 h GLU 45 CO 0.55 -0.43 -0.55 -2.39 -1.00 0.00 0.00 179.01 175.20 2gi4 n HIS 46 N -5.44 0.00 -1.51 4.33 1.44 -1.26 -5.02 115.22 107.77 2gi4 n HIS 46 Ca -0.09 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.30 2gi4 n HIS 46 Cb 0.34 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.29 -0.01 0.00 4.39 8.00 -1.26 -2.77 116.55 123.61 2gi4 n ASP 47 Ca 0.00 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.25 2gi4 n ASP 47 Cb 0.25 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 6.13 0.26 0.27 0.44 0.00 -0.50 -2.05 105.19 109.74 2gi4 n GLY 48 Ca 0.63 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.67 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 0.51 -5.32 1.61 5.08 -1.59 0.14 114.58 115.00 2gi4 h GLU 49 Ca 0.00 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2gi4 h GLU 49 Cb 0.00 -0.12 0.09 0.00 0.50 0.00 0.00 28.75 29.22 2gi4 h GLU 49 CO 0.00 0.34 -0.37 0.41 -1.00 0.00 0.00 179.01 178.39 2gi4 n GLY 50 N -1.31 -1.16 3.15 -3.84 0.00 -1.13 -4.42 105.19 96.48 2gi4 n GLY 50 Ca 0.12 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.69 2gi4 n GLY 50 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gi4 s MET 51 N -3.60 0.15 0.11 1.61 0.00 -0.44 -4.60 119.30 112.54 2gi4 s MET 51 Ca 0.20 0.19 0.00 0.00 0.00 0.00 0.00 55.69 56.07 2gi4 s MET 51 Cb -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 34.83 34.85 2gi4 s MET 51 CO 0.72 -0.25 -0.01 -1.58 0.00 0.00 0.00 175.02 173.90 2gi4 s HIS 52 N 2.96 0.83 0.00 4.11 2.46 -1.08 -4.87 115.29 119.70 2gi4 s HIS 52 Ca 0.19 -1.07 0.00 0.00 0.47 0.00 0.00 55.06 54.65 2gi4 s HIS 52 Cb -0.04 -0.50 0.00 0.00 -0.13 0.00 0.00 32.58 31.91 2gi4 s HIS 52 CO -0.19 -0.33 0.61 0.66 -2.47 0.00 0.00 174.74 173.02 2gi4 n TYR 53 N -0.05 0.00 -0.25 3.88 4.01 -1.26 -0.75 117.16 122.74 2gi4 n TYR 53 Ca -0.10 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.66 2gi4 n TYR 53 Cb 0.62 -0.11 0.11 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.62 0.77 2.72 0.00 -1.87 -0.65 103.07 104.66 2gi4 h GLY 54 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.57 2gi4 h GLY 54 CO 0.00 -0.28 0.26 0.00 0.00 0.00 0.00 176.54 176.52 2gi4 h THR 55 N 0.03 0.98 -0.76 4.70 1.03 -1.85 -2.16 112.91 114.88 2gi4 h THR 55 Ca 0.37 -0.18 0.05 0.00 -0.01 0.00 0.00 66.41 66.64 2gi4 h THR 55 Cb 0.59 0.42 -0.05 0.00 -1.07 0.00 0.00 68.15 68.04 2gi4 h THR 55 CO -0.72 0.09 0.47 0.50 -0.01 0.00 0.00 175.52 175.85 2gi4 h LYS 56 N 0.52 0.86 -0.13 0.00 3.64 0.57 -0.39 116.57 121.65 2gi4 h LYS 56 Ca 0.21 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2gi4 h LYS 56 Cb 0.10 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2gi4 h LYS 56 CO -0.14 0.57 0.08 -2.95 -2.27 0.00 0.00 179.45 174.74 2gi4 h ASN 57 N 0.89 0.15 -0.50 4.20 -1.07 -0.82 0.60 115.58 119.02 2gi4 h ASN 57 Ca 0.32 -0.03 -0.05 0.00 0.07 0.00 0.00 56.30 56.61 2gi4 h ASN 57 Cb 0.10 -0.04 -0.03 0.00 -2.07 0.00 0.00 38.32 36.28 2gi4 h ASN 57 CO -0.14 0.14 0.15 0.11 0.07 0.00 0.00 177.43 177.76 2gi4 h LYS 58 N 0.15 0.84 0.50 4.14 6.56 -1.07 -2.06 116.57 125.63 2gi4 h LYS 58 Ca 0.05 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 59.45 2gi4 h LYS 58 Cb 0.01 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 2gi4 h LYS 58 CO -0.01 0.75 -0.24 -0.07 -2.06 0.00 0.00 179.45 177.82 2gi4 h LEU 59 N 0.82 -0.57 -1.89 2.94 3.38 -0.74 -3.08 115.31 116.17 2gi4 h LEU 59 Ca 0.18 -0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.29 2gi4 h LEU 59 Cb 0.27 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2gi4 h LEU 59 CO -0.00 -0.18 0.52 0.00 0.09 0.00 0.00 178.44 178.86 2gi4 h ALA 60 N -0.80 2.54 -0.69 1.53 0.00 -0.85 0.93 119.26 121.91 2gi4 h ALA 60 Ca -0.07 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2gi4 h ALA 60 Cb 0.60 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2gi4 h ALA 60 CO 0.11 -0.76 0.35 1.96 0.00 0.00 0.00 179.25 180.91 2gi4 h GLN 61 N 0.10 0.59 0.00 0.00 4.20 -1.28 -3.42 115.11 115.30 2gi4 h GLN 61 Ca 0.36 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2gi4 h GLN 61 Cb 1.26 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2gi4 h GLN 61 CO -0.04 0.39 0.00 1.47 -0.67 0.00 0.00 178.83 179.98 2gi4 n LEU 62 N -4.85 0.00 0.00 1.46 -0.00 -0.29 -5.12 117.00 108.19 2gi4 n LEU 62 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2gi4 n LEU 62 Cb 0.25 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2gi4 n LEU 62 CO 0.26 -0.09 0.00 0.59 -0.00 0.00 0.00 177.39 178.15 2gi4 n ASN 63 N -1.68 -0.30 -4.72 1.45 3.02 0.31 -5.01 115.26 108.33 2gi4 n ASN 63 Ca 0.00 -0.13 -0.36 0.00 -0.03 0.00 0.00 54.58 54.06 2gi4 n ASN 63 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.28 5.38 0.64 2.41 1.01 -1.24 -4.23 121.20 124.89 2gi4 s ILE 64 Ca 0.00 0.28 0.24 0.00 0.00 0.00 0.00 60.65 61.17 2gi4 s ILE 64 Cb 0.00 -3.52 0.27 0.00 0.01 0.00 0.00 42.46 39.23 2gi4 s ILE 64 CO 0.00 0.41 1.70 -0.08 0.00 0.00 0.00 174.94 176.98 2gi4 h GLU 65 N 6.77 0.00 0.00 2.79 4.81 -1.89 -3.42 114.58 123.65 2gi4 h GLU 65 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2gi4 h GLU 65 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2gi4 h GLU 65 CO 0.75 0.00 0.00 -2.39 -0.73 0.00 0.00 179.01 176.64 2gi4 n HIS 66 N -3.04 0.00 0.00 0.92 1.44 -1.26 -4.79 115.22 108.49 2gi4 n HIS 66 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2gi4 n HIS 66 Cb 0.65 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.76 2gi4 n HIS 66 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2gi4 n LYS 67 N -0.01 0.00 -0.40 -1.40 3.00 -1.26 -5.00 118.16 113.09 2gi4 n LYS 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2gi4 n LYS 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2gi4 n LYS 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2gi4 n ASN 68 N 0.00 0.00 -4.56 3.14 4.13 -1.26 -4.83 115.26 111.88 2gi4 n ASN 68 Ca 0.00 -1.55 -0.39 0.00 1.68 0.00 0.00 54.58 54.32 2gi4 n ASN 68 Cb 0.00 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.10 2gi4 n ASN 68 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2gi4 s PHE 69 N 0.00 1.77 -0.26 3.10 -0.12 -1.26 -4.70 117.98 116.51 2gi4 s PHE 69 Ca 0.00 0.69 -0.01 0.00 -0.05 0.00 0.00 56.93 57.56 2gi4 s PHE 69 Cb 0.00 -4.15 0.15 0.00 -0.63 0.00 0.00 43.02 38.38 2gi4 s PHE 69 CO 0.00 -2.32 0.41 -0.08 -0.05 0.00 0.00 175.22 173.18 2gi4 s THR 70 N 8.40 -0.65 -0.38 -4.49 -1.32 0.48 -4.98 115.64 112.69 2gi4 s THR 70 Ca 0.65 -0.12 -0.27 0.00 -1.21 0.00 0.00 61.69 60.74 2gi4 s THR 70 Cb -0.13 -0.88 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 2gi4 s THR 70 CO 0.22 -0.15 2.32 -0.94 -2.21 0.00 0.00 174.62 173.85 2gi4 s SER 71 N 2.58 4.86 0.24 8.08 1.04 -1.24 -4.31 113.70 124.95 2gi4 s SER 71 Ca 0.13 1.39 0.09 0.00 0.48 0.00 0.00 55.95 58.04 2gi4 s SER 71 Cb -0.15 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2gi4 s SER 71 CO -0.20 -2.50 -0.03 -0.54 0.98 0.00 0.00 173.24 170.94 2gi4 s LYS 72 N 7.47 2.22 -0.35 4.02 1.02 -0.87 -4.96 119.74 128.29 2gi4 s LYS 72 Ca 0.98 -1.38 0.04 0.00 0.02 0.00 0.00 55.97 55.63 2gi4 s LYS 72 Cb -0.23 -2.16 0.17 0.00 -0.52 0.00 0.00 37.83 35.09 2gi4 s LYS 72 CO 0.30 0.38 0.47 -1.59 -0.92 0.00 0.00 175.35 173.99 2gi4 s LYS 73 N -3.43 0.62 0.13 1.68 -2.85 -1.26 -3.67 119.74 110.96 2gi4 s LYS 73 Ca 0.30 -0.29 -0.34 0.00 -1.00 0.00 0.00 55.97 54.64 2gi4 s LYS 73 Cb -0.07 -0.29 -0.13 0.00 -2.06 0.00 0.00 37.83 35.27 2gi4 s LYS 73 CO 0.19 -1.14 1.62 -0.11 0.10 0.00 0.00 175.35 176.01 2gi4 n LEU 74 N 4.71 3.19 0.00 2.77 7.94 -0.06 -4.86 117.00 130.69 2gi4 n LEU 74 Ca 0.08 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 2gi4 n LEU 74 Cb 0.50 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.03 2gi4 n LEU 74 CO 0.02 -0.24 0.00 0.41 -1.11 0.00 0.00 177.39 176.48 2gi4 n THR 75 N 3.66 0.00 0.01 1.96 -1.04 -1.26 -4.71 114.28 112.90 2gi4 n THR 75 Ca 0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.06 2gi4 n THR 75 Cb 0.29 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.72 2gi4 n THR 75 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2gi4 h GLN 76 N 0.00 0.00 -0.61 -2.82 3.07 -1.99 -1.37 115.11 111.39 2gi4 h GLN 76 Ca 0.00 -0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.76 2gi4 h GLN 76 Cb 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 2gi4 h GLN 76 CO 0.00 0.25 0.39 1.57 0.09 0.00 0.00 178.83 181.13 2gi4 h LYS 77 N -0.25 0.76 -0.30 0.06 2.10 -1.98 -0.39 116.57 116.57 2gi4 h LYS 77 Ca 0.00 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2gi4 h LYS 77 Cb 0.25 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2gi4 h LYS 77 CO 0.00 0.50 0.18 -0.07 -2.00 0.00 0.00 179.45 178.06 2gi4 h LEU 78 N 0.78 0.35 -1.17 7.07 4.07 -1.93 -2.39 115.31 122.09 2gi4 h LEU 78 Ca 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 2gi4 h LEU 78 Cb -0.03 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 2gi4 h LEU 78 CO -0.08 0.29 0.33 0.00 -1.08 0.00 0.00 178.44 177.91 2gi4 h ASP 80 N 0.92 0.00 0.00 0.00 3.58 -0.57 -3.03 116.42 117.32 2gi4 h ASP 80 Ca 0.23 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 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 -0.03 0.00 -0.04 -0.33 -2.88 0.00 0.00 179.24 175.96 2gi4 h GLU 81 N 0.00 0.00 -7.15 0.28 4.39 -0.91 -3.46 114.58 107.73 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 0.12 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 28.92 2gi4 h GLU 81 CO 0.00 0.16 0.43 -1.54 -1.16 0.00 0.00 179.01 176.90 2gi4 s SER 82 N -5.67 4.44 -0.05 1.42 1.04 -1.14 -4.86 113.70 108.88 2gi4 s SER 82 Ca -0.04 2.41 0.20 0.00 0.48 0.00 0.00 55.95 59.00 2gi4 s SER 82 Cb -0.00 -2.60 -0.31 0.00 0.10 0.00 0.00 66.02 63.21 2gi4 s SER 82 CO 0.12 -2.10 0.41 0.47 0.98 0.00 0.00 173.24 173.12 2gi4 n ASP 83 N -2.39 0.30 -3.96 7.02 8.00 -0.62 -4.93 116.55 119.97 2gi4 n ASP 83 Ca 0.14 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.42 2gi4 n ASP 83 Cb 0.50 1.84 -0.16 0.00 -0.02 0.00 0.00 41.12 43.27 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 -3.33 1.07 -0.12 1.24 0.40 -0.76 -5.02 117.98 111.47 2gi4 s PHE 84 Ca -0.08 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 55.86 2gi4 s PHE 84 Cb 0.12 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 2gi4 s PHE 84 CO 0.85 -0.22 0.04 -0.51 0.70 0.00 0.00 175.22 176.08 2gi4 s LEU 85 N 0.74 3.76 -0.06 -0.37 2.01 0.31 -1.23 118.68 123.84 2gi4 s LEU 85 Ca -0.13 0.17 0.00 0.00 0.01 0.00 0.00 54.13 54.19 2gi4 s LEU 85 Cb -0.15 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.18 2gi4 s LEU 85 CO 0.02 0.33 -0.04 -0.63 1.01 0.00 0.00 176.35 177.03 2gi4 s ILE 86 N -0.56 0.58 -0.06 -0.59 1.01 -0.91 -0.73 121.20 119.93 2gi4 s ILE 86 Ca 0.10 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.70 2gi4 s ILE 86 Cb -0.12 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.72 2gi4 s ILE 86 CO 0.02 0.25 -0.20 0.42 0.00 0.00 0.00 174.94 175.43 2gi4 s THR 87 N 1.22 1.70 -0.05 2.92 -4.23 -0.64 -2.17 115.64 114.39 2gi4 s THR 87 Ca -0.06 -0.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 2gi4 s THR 87 Cb -0.14 -1.46 -0.07 0.00 1.34 0.00 0.00 72.50 72.17 2gi4 s THR 87 CO -0.02 0.48 0.13 0.23 -0.54 0.00 0.00 174.62 174.90 2gi4 n MET 88 N 3.23 1.28 -2.74 3.99 0.00 -1.26 -2.95 117.12 118.66 2gi4 n MET 88 Ca -0.19 -0.04 -0.42 0.00 0.00 0.00 0.00 57.70 57.06 2gi4 n MET 88 Cb 0.53 -1.03 -0.03 0.00 0.00 0.00 0.00 33.22 32.68 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 -2.34 7.31 0.55 7.83 1.11 -1.26 -4.56 116.67 125.31 2gi4 s ASP 89 Ca -0.01 1.59 0.23 0.00 0.18 0.00 0.00 52.55 54.53 2gi4 s ASP 89 Cb 0.03 -2.55 1.48 0.00 1.07 0.00 0.00 42.92 42.95 2gi4 s ASP 89 CO 0.21 -0.28 2.14 -1.13 1.18 0.00 0.00 175.17 177.28 2gi4 h ASN 90 N 6.86 0.00 0.44 0.27 -0.73 -1.94 -1.80 115.58 118.68 2gi4 h ASN 90 Ca -0.39 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.47 2gi4 h ASN 90 Cb 1.20 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.77 2gi4 h ASN 90 CO 0.77 0.00 -1.65 0.77 -0.37 0.00 0.00 177.43 176.95 2gi4 h SER 91 N 0.00 0.23 -0.16 1.15 4.64 -1.99 -3.35 113.55 114.08 2gi4 h SER 91 Ca 0.06 -0.39 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2gi4 h SER 91 Cb 0.25 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2gi4 h SER 91 CO -0.00 1.34 0.10 -1.13 -0.87 0.00 0.00 176.83 176.26 2gi4 h ASN 92 N 0.04 0.19 0.15 4.97 -0.00 -1.72 -1.37 115.58 117.84 2gi4 h ASN 92 Ca -0.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.01 2gi4 h ASN 92 Cb 2.00 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 40.27 2gi4 h ASN 92 CO 0.12 0.16 -0.07 0.15 -0.00 0.00 0.00 177.43 177.78 2gi4 h PHE 93 N 0.23 -0.18 -0.23 0.67 3.57 -1.60 -1.07 116.94 118.32 2gi4 h PHE 93 Ca 0.06 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2gi4 h PHE 93 Cb -0.00 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2gi4 h PHE 93 CO 0.00 0.08 -0.14 0.87 -2.23 0.00 0.00 178.31 176.88 2gi4 h LYS 94 N -0.43 0.39 0.50 1.11 1.79 -1.64 -1.79 116.57 116.49 2gi4 h LYS 94 Ca -0.02 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 2gi4 h LYS 94 Cb 0.34 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2gi4 h LYS 94 CO 0.03 0.53 -0.24 -0.97 -1.08 0.00 0.00 179.45 177.73 2gi4 h ASN 95 N 0.36 -0.57 -0.06 0.86 -1.24 -1.14 -3.02 115.58 110.78 2gi4 h ASN 95 Ca 0.07 -0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.03 2gi4 h ASN 95 Cb 0.47 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.67 2gi4 h ASN 95 CO 0.03 -0.24 0.04 0.58 -1.29 0.00 0.00 177.43 176.55 2gi4 h VAL 96 N -0.92 0.97 -0.71 2.57 2.07 -1.15 0.64 116.25 119.72 2gi4 h VAL 96 Ca -0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.61 2gi4 h VAL 96 Cb 0.60 0.97 -0.12 0.00 -1.52 0.00 0.00 31.29 31.22 2gi4 h VAL 96 CO 0.11 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.68 2gi4 h LEU 97 N 0.00 -0.23 0.00 2.57 -0.00 -1.18 -2.02 115.31 114.44 2gi4 h LEU 97 Ca 0.03 0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2gi4 h LEU 97 Cb 0.11 0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2gi4 h LEU 97 CO -0.00 -0.13 -1.68 2.29 -0.00 0.00 0.00 178.44 178.92 2gi4 n LYS 98 N -5.28 0.64 0.08 1.13 -0.00 -1.02 -4.53 118.16 109.19 2gi4 n LYS 98 Ca 0.12 -0.14 -0.13 0.00 -0.00 0.00 0.00 58.31 58.16 2gi4 n LYS 98 Cb 0.43 -1.42 -0.08 0.00 -0.00 0.00 0.00 35.03 33.96 2gi4 n LYS 98 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2gi4 h ASN 99 N 0.00 -0.12 -1.69 -5.58 -0.26 -0.41 -3.44 115.58 104.07 2gi4 h ASN 99 Ca 0.00 -0.10 -0.44 0.00 -0.56 0.00 0.00 56.30 55.20 2gi4 h ASN 99 Cb 0.78 0.03 0.04 0.00 -1.06 0.00 0.00 38.32 38.10 2gi4 h ASN 99 CO 0.00 0.02 -0.12 -0.36 -1.06 0.00 0.00 177.43 175.91 2gi4 s PHE 100 N -5.68 2.41 0.00 1.19 0.08 -0.80 -5.05 117.98 110.12 2gi4 s PHE 100 Ca -0.14 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2gi4 s PHE 100 Cb 0.05 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2gi4 s PHE 100 CO 0.65 -0.84 0.00 0.25 -0.10 0.00 0.00 175.22 175.18 2gi4 n THR 101 N -2.18 0.00 0.87 0.64 -2.24 -1.26 -4.80 114.28 105.31 2gi4 n THR 101 Ca 0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.89 2gi4 n THR 101 Cb 0.60 -0.82 0.04 0.00 -2.10 0.00 0.00 70.33 68.05 2gi4 n THR 101 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2gi4 n ASN 102 N -2.69 0.00 -0.93 3.42 3.02 -1.26 -2.17 115.26 114.64 2gi4 n ASN 102 Ca 0.00 -0.83 0.10 0.00 -0.03 0.00 0.00 54.58 53.83 2gi4 n ASN 102 Cb 0.00 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.55 0.50 0.42 3.41 5.66 -1.26 -4.15 114.28 118.30 2gi4 n THR 103 Ca 0.01 -0.63 0.05 0.00 -3.05 0.00 0.00 64.05 60.43 2gi4 n THR 103 Cb 0.00 0.60 0.24 0.00 -1.55 0.00 0.00 70.33 69.62 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 1.03 0.07 0.00 1.09 0.00 -0.92 -2.50 117.38 116.14 2gi4 n GLN 104 Ca 0.18 0.26 0.02 0.00 0.00 0.00 0.00 57.00 57.46 2gi4 n GLN 104 Cb 0.48 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 29.29 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 -1.40 0.00 -0.53 2.61 4.13 -1.26 -0.90 115.26 117.91 2gi4 n ASN 105 Ca 0.04 0.47 0.04 0.00 1.68 0.00 0.00 54.58 56.81 2gi4 n ASN 105 Cb 0.10 -0.48 0.12 0.00 -1.54 0.00 0.00 39.78 37.99 2gi4 n ASN 105 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2gi4 n LYS 106 N -1.48 1.66 -3.29 3.52 4.01 -1.04 -4.87 118.16 116.68 2gi4 n LYS 106 Ca 0.01 -1.01 -0.39 0.00 -0.51 0.00 0.00 58.31 56.41 2gi4 n LYS 106 Cb 0.04 -1.23 -0.06 0.00 -0.51 0.00 0.00 35.03 33.27 2gi4 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gi4 s VAL 107 N -1.63 4.81 0.37 -0.18 1.01 -0.08 -0.53 120.40 124.17 2gi4 s VAL 107 Ca 0.19 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.41 2gi4 s VAL 107 Cb 0.10 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2gi4 s VAL 107 CO 0.13 0.53 0.36 -0.76 0.00 0.00 0.00 175.10 175.35 2gi4 s LEU 108 N -0.90 3.56 0.05 3.92 1.02 0.09 -4.90 118.68 121.51 2gi4 s LEU 108 Ca 0.29 -0.55 0.08 0.00 0.02 0.00 0.00 54.13 53.96 2gi4 s LEU 108 Cb -0.19 -2.24 -0.03 0.00 0.02 0.00 0.00 46.19 43.76 2gi4 s LEU 108 CO 0.18 -0.50 -0.23 -0.54 0.02 0.00 0.00 176.35 175.28 2gi4 s LYS 109 N -4.09 1.49 0.18 1.70 1.02 -1.24 -1.62 119.74 117.19 2gi4 s LYS 109 Ca 0.45 -1.03 0.26 0.00 0.02 0.00 0.00 55.97 55.67 2gi4 s LYS 109 Cb -0.05 -1.66 0.88 0.00 -0.52 0.00 0.00 37.83 36.48 2gi4 s LYS 109 CO 0.28 0.42 1.78 1.51 -0.92 0.00 0.00 175.35 178.42 2gi4 n ILE 110 N 1.72 0.56 -0.18 2.17 0.13 -1.15 -3.46 119.36 119.14 2gi4 n ILE 110 Ca -0.17 -0.17 -0.03 0.00 -1.10 0.00 0.00 62.75 61.27 2gi4 n ILE 110 Cb 0.53 -0.66 0.16 0.00 -0.84 0.00 0.00 39.64 38.84 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 1.23 -0.01 9.51 2.02 -1.90 0.88 112.91 124.64 2gi4 h THR 111 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2gi4 h THR 111 Cb 0.65 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2gi4 h THR 111 CO 0.00 0.30 0.00 -0.67 0.37 0.00 0.00 175.52 175.52 2gi4 n ASP 112 N -4.29 0.19 -0.05 4.18 2.03 -1.22 -3.37 116.55 114.01 2gi4 n ASP 112 Ca 0.05 -1.16 0.00 0.00 0.52 0.00 0.00 54.79 54.20 2gi4 n ASP 112 Cb 0.19 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2gi4 n ASP 112 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2gi4 n PHE 113 N -0.80 0.00 -2.81 -0.67 3.01 -0.61 -4.94 117.46 110.64 2gi4 n PHE 113 Ca 0.21 -0.06 -0.09 0.00 1.01 0.00 0.00 57.45 58.52 2gi4 n PHE 113 Cb 0.13 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 2gi4 n PHE 113 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2gi4 n SER 114 N -0.07 -2.72 0.11 4.37 7.64 0.29 -4.78 113.62 118.47 2gi4 n SER 114 Ca 0.00 -3.13 -0.04 0.00 1.01 0.00 0.00 58.87 56.70 2gi4 n SER 114 Cb 0.50 1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 65.22 2gi4 n SER 114 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2gi4 h PRO 115 N 4.30 -0.27 -0.99 1.43 0.11 -1.80 -3.25 132.00 131.52 2gi4 h PRO 115 Ca -0.07 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2gi4 h PRO 115 Cb 1.03 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2gi4 h PRO 115 CO 0.26 -0.18 0.00 0.45 -0.21 0.00 0.00 178.00 178.32 2gi4 n SER 116 N -3.16 1.58 -1.70 -2.05 2.88 -1.26 -3.72 113.62 106.20 2gi4 n SER 116 Ca -0.04 -1.95 -0.17 0.00 -1.33 0.00 0.00 58.87 55.38 2gi4 n SER 116 Cb 0.11 -0.49 0.09 0.00 -0.75 0.00 0.00 64.21 63.18 2gi4 n SER 116 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2gi4 n LEU 117 N 0.17 4.89 -4.54 2.46 7.94 -1.23 -5.01 117.00 121.67 2gi4 n LEU 117 Ca 0.00 -4.36 -0.37 0.00 -1.11 0.00 0.00 56.01 50.17 2gi4 n LEU 117 Cb 0.32 -0.53 -0.05 0.00 0.53 0.00 0.00 43.42 43.69 2gi4 n LEU 117 CO 0.00 1.74 2.06 -3.20 -1.11 0.00 0.00 177.39 176.88 2gi4 n ASN 118 N -0.89 1.97 -4.42 1.96 4.05 -1.24 -4.90 115.26 111.79 2gi4 n ASN 118 Ca 0.41 -0.37 -0.29 0.00 0.45 0.00 0.00 54.58 54.79 2gi4 n ASN 118 Cb 0.91 -1.46 -0.08 0.00 1.23 0.00 0.00 39.78 40.37 2gi4 n ASN 118 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2gi4 s TYR 119 N 11.56 1.86 -0.62 1.20 1.13 -1.26 -5.09 117.35 126.13 2gi4 s TYR 119 Ca 1.05 -1.11 0.05 0.00 -1.41 0.00 0.00 57.07 55.65 2gi4 s TYR 119 Cb -0.38 -1.38 0.31 0.00 -1.10 0.00 0.00 41.96 39.42 2gi4 s TYR 119 CO 0.31 -0.04 0.94 -0.25 -2.51 0.00 0.00 175.55 174.00 2gi4 n ASP 120 N -1.25 4.47 -2.28 -0.18 9.92 -1.26 -4.94 116.55 121.03 2gi4 n ASP 120 Ca -0.11 -3.62 0.00 0.00 -0.53 0.00 0.00 54.79 50.53 2gi4 n ASP 120 Cb 0.66 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 2gi4 n ASP 120 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2gi4 n GLU 121 N 0.08 -5.34 -1.78 -1.24 4.71 -1.26 -4.94 120.64 110.88 2gi4 n GLU 121 Ca 0.31 3.85 0.00 0.00 -0.01 0.00 0.00 57.16 61.31 2gi4 n GLU 121 Cb 0.39 -4.62 0.00 0.00 -1.01 0.00 0.00 31.44 26.20 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 1.86 -5.61 0.00 2.62 0.31 -1.26 -4.95 118.33 111.30 2gi4 n VAL 122 Ca 0.00 2.57 0.00 0.00 -0.01 0.00 0.00 64.34 66.90 2gi4 n VAL 122 Cb 0.00 -3.42 0.00 0.00 -0.91 0.00 0.00 33.84 29.51 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 0.10 3.52 -0.75 5.55 -0.04 -1.26 -4.59 135.00 137.54 2gi4 n PRO 123 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2gi4 n PRO 123 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 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 -4.05 -0.12 3.54 -0.08 -1.26 -3.80 116.55 110.79 2gi4 n ASP 124 Ca 0.00 0.83 0.07 0.00 -1.51 0.00 0.00 54.79 54.18 2gi4 n ASP 124 Cb 0.00 -2.24 0.40 0.00 2.34 0.00 0.00 41.12 41.62 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 -0.31 0.63 0.00 -0.67 0.13 -1.54 0.05 132.00 130.30 2gi4 h PRO 125 Ca -0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2gi4 h PRO 125 Cb 0.58 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2gi4 h PRO 125 CO 0.02 0.41 0.07 2.35 -0.23 0.00 0.00 178.00 180.62 2gi4 h TRP 126 N 0.65 0.00 0.00 1.56 2.91 -1.86 -2.89 115.95 116.31 2gi4 h TRP 126 Ca 0.26 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.28 2gi4 h TRP 126 Cb 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 2gi4 h TRP 126 CO -0.00 0.00 -0.21 0.66 -1.03 0.00 0.00 178.44 177.86 2gi4 n TYR 127 N -2.87 0.00 -0.07 2.65 4.01 -0.35 -4.94 117.16 115.59 2gi4 n TYR 127 Ca -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 2gi4 n TYR 127 Cb 0.13 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.21 0.00 0.00 7.72 0.02 -1.13 -3.48 113.55 116.47 2gi4 h SER 128 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2gi4 h SER 128 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2gi4 h SER 128 CO 0.00 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.06 2gi4 n GLY 129 N 1.65 2.08 3.85 -3.77 0.00 -1.09 -4.95 105.19 102.94 2gi4 n GLY 129 Ca -0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 2gi4 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gi4 s ASN 130 N 0.00 4.67 -0.07 1.61 4.22 -1.26 -4.29 114.94 119.83 2gi4 s ASN 130 Ca 0.00 -1.08 -0.04 0.00 -2.14 0.00 0.00 52.86 49.60 2gi4 s ASN 130 Cb 0.00 -0.09 -0.27 0.00 1.28 0.00 0.00 41.25 42.17 2gi4 s ASN 130 CO 0.00 -0.82 0.57 -0.26 -2.04 0.00 0.00 177.10 174.55 2gi4 h PHE 131 N 1.03 0.46 -0.15 1.54 -1.00 -1.91 -1.98 116.94 114.92 2gi4 h PHE 131 Ca -0.40 -0.33 0.04 0.00 2.81 0.00 0.00 57.97 60.09 2gi4 h PHE 131 Cb 1.28 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.82 2gi4 h PHE 131 CO 0.77 1.57 0.56 -0.44 -1.61 0.00 0.00 178.31 179.16 2gi4 h ASP 132 N 0.07 0.00 -0.25 2.17 3.32 -1.97 -1.38 116.42 118.38 2gi4 h ASP 132 Ca -0.35 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.75 2gi4 h ASP 132 Cb 2.04 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.55 2gi4 h ASP 132 CO 0.12 0.00 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.26 2gi4 h GLU 133 N 0.00 0.02 -0.97 3.56 4.39 -1.95 -1.72 114.58 117.91 2gi4 h GLU 133 Ca 0.07 -0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.04 2gi4 h GLU 133 Cb 1.20 -0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.71 2gi4 h GLU 133 CO -0.00 0.01 0.51 1.79 -1.16 0.00 0.00 179.01 180.16 2gi4 h THR 134 N 0.02 0.41 0.46 1.13 1.35 -1.53 0.92 112.91 115.67 2gi4 h THR 134 Ca 0.12 -0.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 2gi4 h THR 134 Cb 0.18 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 2gi4 h THR 134 CO -0.25 0.07 -0.22 0.22 -0.25 0.00 0.00 175.52 175.10 2gi4 h TYR 135 N 0.41 -0.57 0.24 4.73 3.20 -1.49 -0.09 116.97 123.40 2gi4 h TYR 135 Ca 0.65 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.52 2gi4 h TYR 135 Cb 1.36 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.79 2gi4 h TYR 135 CO -0.06 -0.26 -0.36 0.87 -1.64 0.00 0.00 178.16 176.71 2gi4 h LYS 136 N -0.86 -0.65 0.54 1.82 1.79 -0.86 -0.04 116.57 118.32 2gi4 h LYS 136 Ca -0.06 0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2gi4 h LYS 136 Cb 0.57 0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2gi4 h LYS 136 CO 0.10 -0.43 -0.26 0.82 -1.08 0.00 0.00 179.45 178.60 2gi4 h ILE 137 N -0.67 0.00 0.34 1.86 1.08 -0.95 -2.38 117.51 116.79 2gi4 h ILE 137 Ca 0.00 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2gi4 h ILE 137 Cb 0.65 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 2gi4 h ILE 137 CO -0.14 0.00 -0.38 -0.07 -0.69 0.00 0.00 178.15 176.87 2gi4 h LEU 138 N -0.76 -1.06 -0.23 1.44 3.38 -1.07 0.33 115.31 117.34 2gi4 h LEU 138 Ca -0.07 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2gi4 h LEU 138 Cb 0.56 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 2gi4 h LEU 138 CO 0.12 -0.52 -0.18 -1.28 0.09 0.00 0.00 178.44 176.67 2gi4 h SER 139 N -0.76 -0.58 0.57 -0.43 0.87 -1.11 0.18 113.55 112.29 2gi4 h SER 139 Ca -0.02 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2gi4 h SER 139 Cb 0.70 0.29 0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2gi4 h SER 139 CO -0.09 -0.22 -0.27 0.25 -0.53 0.00 0.00 176.83 175.97 2gi4 h LEU 140 N -0.18 -0.64 -0.46 2.23 7.12 -1.36 -1.99 115.31 120.03 2gi4 h LEU 140 Ca 0.13 -0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.17 2gi4 h LEU 140 Cb 0.38 0.17 -0.06 0.00 -0.53 0.00 0.00 40.66 40.61 2gi4 h LEU 140 CO -0.34 -0.31 0.12 0.00 -0.13 0.00 0.00 178.44 177.78 2gi4 h ALA 141 N -0.73 0.53 -0.75 1.25 0.00 -0.87 -1.53 119.26 117.15 2gi4 h ALA 141 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2gi4 h ALA 141 Cb 0.65 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2gi4 h ALA 141 CO 0.13 -0.28 0.36 0.00 0.00 0.00 0.00 179.25 179.46 2gi4 h LYS 143 N 1.07 -0.64 -0.43 0.00 3.11 -0.70 0.08 116.57 119.06 2gi4 h LYS 143 Ca 0.26 0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.22 2gi4 h LYS 143 Cb 0.10 0.14 -0.07 0.00 -1.00 0.00 0.00 32.23 31.41 2gi4 h LYS 143 CO -0.03 -0.43 0.01 -0.91 -2.81 0.00 0.00 179.45 175.28 2gi4 h ASN 144 N -0.87 -0.17 -0.95 4.20 2.35 -1.34 -1.23 115.58 117.58 2gi4 h ASN 144 Ca -0.07 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2gi4 h ASN 144 Cb 0.51 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 2gi4 h ASN 144 CO 0.11 -0.05 0.58 -0.07 -1.65 0.00 0.00 177.43 176.35 2gi4 h LEU 145 N 0.12 1.14 -0.74 1.61 3.38 -1.25 -2.23 115.31 117.33 2gi4 h LEU 145 Ca 0.21 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2gi4 h LEU 145 Cb 0.30 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2gi4 h LEU 145 CO -0.35 0.87 0.39 0.25 0.09 0.00 0.00 178.44 179.70 2gi4 h LEU 146 N 1.31 0.54 -0.80 1.67 5.85 0.22 0.12 115.31 124.22 2gi4 h LEU 146 Ca 0.34 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 59.04 2gi4 h LEU 146 Cb -0.06 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2gi4 h LEU 146 CO -0.06 0.31 0.05 0.58 -0.34 0.00 0.00 178.44 178.97 2gi4 h VAL 147 N 0.67 1.25 0.43 1.05 2.07 -0.86 -0.25 116.25 120.61 2gi4 h VAL 147 Ca 0.36 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2gi4 h VAL 147 Cb 0.35 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2gi4 h VAL 147 CO -0.25 0.37 -0.21 0.15 0.02 0.00 0.00 177.57 177.65 2gi4 h PHE 148 N 0.89 -0.53 -0.11 1.57 3.57 -0.63 -1.61 116.94 120.09 2gi4 h PHE 148 Ca 0.17 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2gi4 h PHE 148 Cb 0.46 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2gi4 h PHE 148 CO 0.03 -0.23 -0.20 1.37 -2.23 0.00 0.00 178.31 177.05 2gi4 h LEU 149 N -0.79 0.17 0.00 0.59 8.10 -1.03 -1.73 115.31 120.62 2gi4 h LEU 149 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.89 2gi4 h LEU 149 Cb 0.54 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2gi4 h LEU 149 CO 0.10 0.38 0.00 -1.54 -4.11 0.00 0.00 178.44 173.27 2gi4 n SER 150 N -4.23 0.00 -3.55 0.17 3.41 -0.11 -4.89 113.62 104.43 2gi4 n SER 150 Ca -0.01 -0.79 -0.21 0.00 -0.26 0.00 0.00 58.87 57.60 2gi4 n SER 150 Cb 0.30 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.98 -4.21 -5.06 4.33 5.02 -0.65 -5.00 118.16 111.61 2gi4 n LYS 151 Ca 0.18 0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 56.84 2gi4 n LYS 151 Cb 0.08 -5.31 -0.17 0.00 -0.02 0.00 0.00 35.03 29.61 2gi4 n LYS 151 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2gi4 s HIS 152 N -3.52 2.55 0.00 2.13 3.76 -0.62 -5.07 115.29 114.52 2gi4 s HIS 152 Ca 0.16 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 2gi4 s HIS 152 Cb -0.04 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.94 2gi4 s HIS 152 CO 0.79 -0.46 0.00 0.72 -0.85 0.00 0.00 174.74 174.93 2gi4 n HIS 153 N 3.67 -0.56 0.09 1.40 8.25 -1.26 -4.64 115.22 122.16 2gi4 n HIS 153 Ca -0.19 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.28 2gi4 n HIS 153 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 2gi4 n HIS 153 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2gi4 h HIS 154 N -0.07 0.00 0.00 4.41 2.07 -2.01 -3.45 115.15 116.10 2gi4 h HIS 154 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2gi4 h HIS 154 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2gi4 h HIS 154 CO 0.00 0.52 0.00 1.58 -3.07 0.00 0.00 177.93 176.96 2gi4 n HIS 155 N -3.07 0.00 -1.57 6.12 -0.00 -1.26 -5.34 115.22 110.10 2gi4 n HIS 155 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2gi4 n HIS 155 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.76 2gi4 n HIS 155 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95