#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 3.72 -0.14 0.03 -0.14 -1.26 -4.93 119.74 117.02 2gi4 s LYS 2 Ca 0.00 -0.48 0.02 0.00 -1.36 0.00 0.00 55.97 54.15 2gi4 s LYS 2 Cb 0.00 -3.67 0.01 0.00 -1.68 0.00 0.00 37.83 32.50 2gi4 s LYS 2 CO 0.00 -0.29 -0.20 0.15 -0.76 0.00 0.00 175.35 174.25 2gi4 s LYS 3 N 1.72 2.86 -0.36 1.68 1.02 -1.25 -1.28 119.74 124.13 2gi4 s LYS 3 Ca 0.06 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 2gi4 s LYS 3 Cb -0.16 -2.34 0.07 0.00 -0.52 0.00 0.00 37.83 34.87 2gi4 s LYS 3 CO 0.10 -0.05 0.14 0.42 -0.92 0.00 0.00 175.35 175.04 2gi4 s ILE 4 N 0.91 3.56 -0.36 2.17 1.09 -0.87 -0.78 121.20 126.93 2gi4 s ILE 4 Ca -0.05 -1.48 -0.25 0.00 -1.10 0.00 0.00 60.65 57.76 2gi4 s ILE 4 Cb -0.15 -3.16 0.01 0.00 -1.06 0.00 0.00 42.46 38.10 2gi4 s ILE 4 CO -0.03 -0.36 0.89 -0.76 -0.10 0.00 0.00 174.94 174.58 2gi4 s LEU 5 N 1.31 4.03 0.15 2.97 1.43 0.31 -0.51 118.68 128.37 2gi4 s LEU 5 Ca 0.01 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.54 2gi4 s LEU 5 Cb -0.21 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 2gi4 s LEU 5 CO -0.00 -0.80 0.53 -0.36 0.23 0.00 0.00 176.35 175.95 2gi4 s PHE 6 N 3.34 3.59 -0.25 0.29 0.08 -0.43 -1.74 117.98 122.86 2gi4 s PHE 6 Ca 0.36 1.01 -0.02 0.00 0.12 0.00 0.00 56.93 58.41 2gi4 s PHE 6 Cb -0.12 -2.33 0.08 0.00 -0.57 0.00 0.00 43.02 40.07 2gi4 s PHE 6 CO 0.17 0.43 0.05 0.42 -0.10 0.00 0.00 175.22 176.19 2gi4 s ILE 7 N -1.49 0.76 -0.20 0.64 1.01 -0.69 -1.02 121.20 120.21 2gi4 s ILE 7 Ca 0.38 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2gi4 s ILE 7 Cb -0.15 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2gi4 s ILE 7 CO 0.19 -0.41 -0.05 0.00 0.00 0.00 0.00 174.94 174.67 2gi4 h LEU 9 N 7.76 0.00 -6.56 0.00 6.46 -1.95 -3.30 115.31 117.73 2gi4 h LEU 9 Ca -0.38 0.00 -0.58 0.00 -0.12 0.00 0.00 57.88 56.80 2gi4 h LEU 9 Cb 1.17 0.00 -0.39 0.00 -0.73 0.00 0.00 40.66 40.71 2gi4 h LEU 9 CO 0.60 0.00 -0.86 -0.83 -0.62 0.00 0.00 178.44 176.73 2gi4 s GLY 10 N -3.96 0.86 0.00 3.75 0.00 -1.26 -4.74 107.32 101.97 2gi4 s GLY 10 Ca -0.04 -1.89 -0.05 0.00 0.00 0.00 0.00 44.72 42.74 2gi4 s GLY 10 CO 0.45 2.11 3.40 -2.01 0.00 0.00 0.00 173.10 177.04 2gi4 n ASN 11 N 3.97 5.03 -0.22 1.64 2.85 -1.24 -3.32 115.26 123.97 2gi4 n ASN 11 Ca 0.13 -2.43 0.00 0.00 -0.11 0.00 0.00 54.58 52.17 2gi4 n ASN 11 Cb 0.38 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.06 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 2.46 0.00 0.00 -1.44 -5.35 -1.26 -1.31 119.36 112.45 2gi4 n ILE 12 Ca 0.39 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.87 2gi4 n ILE 12 Cb 0.86 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 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 0.55 -0.16 0.00 0.11 -1.95 -3.22 114.38 109.71 2gi4 h ARG 14 Ca 0.00 -0.85 0.01 0.00 0.10 0.00 0.00 59.98 59.24 2gi4 h ARG 14 Cb 0.00 0.30 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 2gi4 h ARG 14 CO 0.00 1.40 0.05 1.03 0.10 0.00 0.00 179.97 182.55 2gi4 h SER 15 N 0.13 0.07 -0.89 0.08 0.87 -1.90 -2.67 113.55 109.23 2gi4 h SER 15 Ca -0.22 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2gi4 h SER 15 Cb 2.02 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.94 2gi4 h SER 15 CO 0.25 0.06 0.55 1.55 -0.53 0.00 0.00 176.83 178.72 2gi4 h PRO 16 N 0.13 1.20 0.59 2.24 0.13 -1.82 0.27 132.00 134.75 2gi4 h PRO 16 Ca 0.07 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2gi4 h PRO 16 Cb 0.04 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 30.89 2gi4 h PRO 16 CO -0.07 0.83 -0.44 1.98 -0.23 0.00 0.00 178.00 180.07 2gi4 h MET 17 N 1.23 -0.97 0.00 0.86 4.05 -1.51 -1.63 114.93 116.96 2gi4 h MET 17 Ca 0.32 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.81 2gi4 h MET 17 Cb -0.08 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2gi4 h MET 17 CO -0.06 -0.65 0.00 0.00 0.23 0.00 0.00 176.91 176.43 2gi4 h ALA 18 N -0.79 1.00 0.77 0.39 0.00 -1.37 -2.56 119.26 116.71 2gi4 h ALA 18 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2gi4 h ALA 18 Cb 0.84 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2gi4 h ALA 18 CO 0.02 0.00 -0.38 1.49 0.00 0.00 0.00 179.25 180.38 2gi4 h GLU 19 N 0.00 -1.01 -0.12 0.00 4.57 0.51 0.13 114.58 118.66 2gi4 h GLU 19 Ca 0.00 0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 2gi4 h GLU 19 Cb 0.42 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2gi4 h GLU 19 CO 0.00 -0.68 -0.40 0.35 -1.18 0.00 0.00 179.01 177.11 2gi4 h PHE 20 N -1.05 0.63 0.28 0.92 3.57 -1.43 -2.58 116.94 117.27 2gi4 h PHE 20 Ca -0.10 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2gi4 h PHE 20 Cb 0.81 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2gi4 h PHE 20 CO -0.03 1.00 -0.29 0.82 -2.23 0.00 0.00 178.31 177.58 2gi4 h ILE 21 N 0.07 0.38 -0.30 1.41 2.04 -1.48 -2.04 117.51 117.59 2gi4 h ILE 21 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2gi4 h ILE 21 Cb 1.02 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2gi4 h ILE 21 CO 0.08 0.00 0.10 0.24 0.00 0.00 0.00 178.15 178.58 2gi4 h MET 22 N -0.61 0.23 -0.99 2.37 2.86 -0.84 -1.74 114.93 116.21 2gi4 h MET 22 Ca -0.01 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.84 2gi4 h MET 22 Cb 0.57 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 2gi4 h MET 22 CO -0.07 0.15 0.63 -0.22 1.06 0.00 0.00 176.91 178.46 2gi4 h LYS 23 N 0.23 0.53 0.11 1.72 3.11 -1.24 0.13 116.57 121.16 2gi4 h LYS 23 Ca 0.13 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 2gi4 h LYS 23 Cb 0.10 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2gi4 h LYS 23 CO -0.14 0.35 -0.05 0.22 -2.81 0.00 0.00 179.45 177.02 2gi4 h ASP 24 N 0.54 -0.12 -0.52 4.20 3.58 -0.61 -3.27 116.42 120.22 2gi4 h ASP 24 Ca 0.56 -0.44 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 2gi4 h ASP 24 Cb 1.18 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2gi4 h ASP 24 CO -0.30 0.43 0.14 -0.07 -2.88 0.00 0.00 179.24 176.56 2gi4 h LEU 25 N -0.74 0.78 -0.95 2.28 -0.00 -0.74 -3.10 115.31 112.84 2gi4 h LEU 25 Ca -0.01 -0.23 0.13 0.00 -0.00 0.00 0.00 57.88 57.77 2gi4 h LEU 25 Cb 0.55 -0.21 -0.09 0.00 -0.00 0.00 0.00 40.66 40.92 2gi4 h LEU 25 CO 0.02 0.80 0.57 -0.37 -0.00 0.00 0.00 178.44 179.47 2gi4 h VAL 26 N 0.72 0.85 -0.48 1.22 -1.51 -0.90 0.20 116.25 116.35 2gi4 h VAL 26 Ca 0.16 -0.30 0.14 0.00 -1.23 0.00 0.00 66.70 65.48 2gi4 h VAL 26 Cb 0.32 -0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 29.37 2gi4 h VAL 26 CO 0.00 0.16 0.37 0.50 -1.23 0.00 0.00 177.57 177.37 2gi4 h LYS 27 N 0.86 0.00 0.19 5.19 3.64 -1.59 1.03 116.57 125.89 2gi4 h LYS 27 Ca 0.49 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 2gi4 h LYS 27 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2gi4 h LYS 27 CO -0.30 0.00 -0.09 -0.22 -2.27 0.00 0.00 179.45 176.57 2gi4 h LYS 28 N 0.00 -0.25 0.00 1.90 3.11 -1.07 -3.36 116.57 116.91 2gi4 h LYS 28 Ca 0.23 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 58.01 2gi4 h LYS 28 Cb 0.96 0.06 -0.17 0.00 -1.00 0.00 0.00 32.23 32.07 2gi4 h LYS 28 CO -0.00 0.10 -0.69 0.00 -2.81 0.00 0.00 179.45 176.04 2gi4 n ALA 29 N -2.42 2.76 0.09 5.00 0.00 -1.00 -4.73 120.51 120.20 2gi4 n ALA 29 Ca -0.09 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.81 2gi4 n ALA 29 Cb 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.29 0.18 0.30 0.00 3.02 0.34 -4.74 115.26 114.07 2gi4 n ASN 30 Ca 0.11 0.29 0.18 0.00 -0.03 0.00 0.00 54.58 55.12 2gi4 n ASN 30 Cb 0.89 0.13 0.94 0.00 -0.61 0.00 0.00 39.78 41.13 2gi4 n ASN 30 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2gi4 h LEU 31 N 0.00 0.00 -0.07 3.41 -0.00 -1.42 -0.07 115.31 117.16 2gi4 h LEU 31 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2gi4 h LEU 31 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2gi4 h LEU 31 CO 0.00 0.04 -0.03 -0.33 -0.00 0.00 0.00 178.44 178.11 2gi4 h GLU 32 N 0.00 0.15 -0.21 1.13 4.39 -1.80 -2.79 114.58 115.45 2gi4 h GLU 32 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2gi4 h GLU 32 Cb 0.18 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2gi4 h GLU 32 CO 0.00 0.52 0.00 1.63 -1.16 0.00 0.00 179.01 180.00 2gi4 n LYS 33 N -4.77 1.47 -2.62 2.33 5.02 -0.92 -4.92 118.16 113.75 2gi4 n LYS 33 Ca -0.07 -0.72 -0.01 0.00 -2.02 0.00 0.00 58.31 55.49 2gi4 n LYS 33 Cb 0.25 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.09 -1.07 -3.96 1.97 1.02 -0.76 -4.99 120.64 112.94 2gi4 n GLU 34 Ca 0.07 1.29 -0.22 0.00 -0.02 0.00 0.00 57.16 58.28 2gi4 n GLU 34 Cb 0.17 -4.61 -0.04 0.00 -0.02 0.00 0.00 31.44 26.94 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 -2.89 2.94 -0.09 -0.32 0.40 -0.11 -4.59 117.98 113.32 2gi4 s PHE 35 Ca 0.02 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2gi4 s PHE 35 Cb -0.01 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.92 2gi4 s PHE 35 CO 0.55 0.33 -0.09 -0.06 0.70 0.00 0.00 175.22 176.65 2gi4 s PHE 36 N -2.26 1.36 0.07 0.36 0.08 -0.40 -4.71 117.98 112.48 2gi4 s PHE 36 Ca 0.37 -0.58 0.09 0.00 0.12 0.00 0.00 56.93 56.93 2gi4 s PHE 36 Cb -0.06 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 2gi4 s PHE 36 CO 0.25 -0.38 -0.24 0.96 -0.10 0.00 0.00 175.22 175.71 2gi4 s ILE 37 N 1.22 1.98 0.17 0.64 -5.25 -1.26 -2.05 121.20 116.66 2gi4 s ILE 37 Ca -0.04 -1.45 0.01 0.00 -0.99 0.00 0.00 60.65 58.17 2gi4 s ILE 37 Cb -0.14 -1.73 -0.04 0.00 2.95 0.00 0.00 42.46 43.49 2gi4 s ILE 37 CO -0.03 0.20 0.04 0.20 -1.79 0.00 0.00 174.94 173.56 2gi4 s ASN 38 N -1.52 0.83 -0.27 4.36 0.01 0.34 -4.88 114.94 113.81 2gi4 s ASN 38 Ca 0.10 -1.22 -0.21 0.00 -0.71 0.00 0.00 52.86 50.82 2gi4 s ASN 38 Cb -0.10 0.20 0.08 0.00 0.41 0.00 0.00 41.25 41.84 2gi4 s ASN 38 CO 0.03 -0.66 0.74 -0.55 -1.51 0.00 0.00 177.10 175.15 2gi4 s SER 39 N -3.14 -0.80 0.21 -1.22 0.15 -1.26 -1.32 113.70 106.32 2gi4 s SER 39 Ca 0.26 1.42 -0.23 0.00 0.70 0.00 0.00 55.95 58.10 2gi4 s SER 39 Cb 0.07 1.40 0.06 0.00 -1.71 0.00 0.00 66.02 65.83 2gi4 s SER 39 CO 0.05 -0.24 0.91 0.00 1.20 0.00 0.00 173.24 175.15 2gi4 s ALA 40 N 0.86 -1.46 0.67 5.45 0.00 -0.19 -4.78 121.76 122.31 2gi4 s ALA 40 Ca -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2gi4 s ALA 40 Cb -0.05 0.70 0.11 0.00 0.00 0.00 0.00 23.12 23.89 2gi4 s ALA 40 CO -0.08 -1.04 0.93 0.20 0.00 0.00 0.00 175.76 175.77 2gi4 s GLY 41 N -3.02 1.76 0.03 0.00 0.00 -1.26 -1.24 107.32 103.59 2gi4 s GLY 41 Ca 0.14 -1.82 -0.22 0.00 0.00 0.00 0.00 44.72 42.82 2gi4 s GLY 41 CO 0.05 -1.29 1.36 -0.84 0.00 0.00 0.00 173.10 172.37 2gi4 h THR 42 N -0.32 1.34 -0.01 0.90 2.02 -1.85 -1.39 112.91 113.59 2gi4 h THR 42 Ca -0.35 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 65.67 2gi4 h THR 42 Cb 1.27 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2gi4 h THR 42 CO 0.41 0.33 0.00 -1.20 0.37 0.00 0.00 175.52 175.43 2gi4 n SER 43 N -4.67 1.45 -1.78 4.18 7.64 -1.26 -4.62 113.62 114.56 2gi4 n SER 43 Ca -0.06 -1.39 -0.14 0.00 1.01 0.00 0.00 58.87 58.29 2gi4 n SER 43 Cb 0.30 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.10 0.68 0.11 0.23 0.00 -1.26 -4.87 105.19 99.98 2gi4 n GLY 44 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.23 0.00 1.61 5.08 -1.94 -3.40 114.58 115.69 2gi4 h GLU 45 Ca -0.30 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2gi4 h GLU 45 Cb 1.03 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2gi4 h GLU 45 CO 0.41 -0.16 -1.15 0.72 -1.00 0.00 0.00 179.01 177.83 2gi4 n HIS 46 N -2.92 0.00 -1.52 4.33 8.25 -1.26 -5.02 115.22 117.08 2gi4 n HIS 46 Ca -0.03 0.00 -0.60 0.00 -0.26 0.00 0.00 57.72 56.83 2gi4 n HIS 46 Cb 0.11 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.03 2gi4 n HIS 46 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2gi4 n ASP 47 N -1.81 1.42 0.00 0.41 8.00 -1.26 -2.83 116.55 120.49 2gi4 n ASP 47 Ca -0.02 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.35 2gi4 n ASP 47 Cb 0.29 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 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 5.66 1.31 0.00 0.44 0.00 -0.43 -0.97 105.19 111.21 2gi4 n GLY 48 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2gi4 n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gi4 n GLU 49 N 0.00 0.00 0.00 1.61 -0.58 -1.13 -1.26 120.64 119.28 2gi4 n GLU 49 Ca 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2gi4 n GLU 49 Cb 0.00 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2gi4 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gi4 n GLY 50 N -0.36 0.75 3.15 0.62 0.00 -1.15 -4.34 105.19 103.86 2gi4 n GLY 50 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.40 2gi4 n GLY 50 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2gi4 s MET 51 N -1.10 0.34 -0.13 1.61 0.23 0.35 -4.79 119.30 115.80 2gi4 s MET 51 Ca 0.00 0.48 -0.30 0.00 -1.03 0.00 0.00 55.69 54.84 2gi4 s MET 51 Cb 0.00 0.25 0.12 0.00 -1.53 0.00 0.00 34.83 33.67 2gi4 s MET 51 CO 0.00 -0.50 1.00 -1.58 -2.03 0.00 0.00 175.02 171.91 2gi4 s HIS 52 N 2.91 -0.34 1.06 3.16 2.46 -0.92 -4.79 115.29 118.83 2gi4 s HIS 52 Ca 0.13 0.49 -0.16 0.00 0.47 0.00 0.00 55.06 56.00 2gi4 s HIS 52 Cb -0.09 0.47 0.16 0.00 -0.13 0.00 0.00 32.58 32.99 2gi4 s HIS 52 CO -0.20 -0.37 0.23 0.66 -2.47 0.00 0.00 174.74 172.60 2gi4 n TYR 53 N 0.46 -2.20 0.00 3.88 4.01 -1.26 -2.85 117.16 119.20 2gi4 n TYR 53 Ca -0.09 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2gi4 n TYR 53 Cb 0.59 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.20 2gi4 n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gi4 n GLY 54 N 2.34 1.56 0.08 2.72 0.00 -1.26 -4.08 105.19 106.56 2gi4 n GLY 54 Ca 0.05 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 2gi4 n GLY 54 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gi4 h THR 55 N 0.00 0.89 -0.51 2.61 2.02 -1.78 -0.69 112.91 115.45 2gi4 h THR 55 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2gi4 h THR 55 Cb 0.00 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 2gi4 h THR 55 CO 0.00 0.00 0.25 0.50 0.37 0.00 0.00 175.52 176.64 2gi4 h LYS 56 N -0.02 0.47 -0.01 6.66 3.64 -1.67 0.07 116.57 125.72 2gi4 h LYS 56 Ca 0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2gi4 h LYS 56 Cb 0.08 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2gi4 h LYS 56 CO -0.10 0.31 0.01 -0.97 -2.27 0.00 0.00 179.45 176.43 2gi4 h ASN 57 N 0.48 0.01 -0.37 4.20 -1.24 -1.76 0.25 115.58 117.16 2gi4 h ASN 57 Ca 0.23 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2gi4 h ASN 57 Cb 0.16 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 2gi4 h ASN 57 CO -0.17 0.09 0.24 0.11 -1.29 0.00 0.00 177.43 176.41 2gi4 h LYS 58 N -0.06 0.49 -0.30 6.67 1.79 -0.87 -1.87 116.57 122.41 2gi4 h LYS 58 Ca 0.00 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 2gi4 h LYS 58 Cb 0.08 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2gi4 h LYS 58 CO -0.00 0.33 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.53 2gi4 h LEU 59 N 0.49 0.48 -1.59 2.94 3.38 -0.88 -2.16 115.31 117.98 2gi4 h LEU 59 Ca 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2gi4 h LEU 59 Cb -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2gi4 h LEU 59 CO -0.03 0.63 0.09 0.00 0.09 0.00 0.00 178.44 179.22 2gi4 h ALA 60 N 1.43 1.68 -0.58 1.53 0.00 0.22 0.72 119.26 124.25 2gi4 h ALA 60 Ca 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2gi4 h ALA 60 Cb 0.47 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2gi4 h ALA 60 CO 0.03 0.25 0.26 0.37 0.00 0.00 0.00 179.25 180.16 2gi4 h GLN 61 N 0.36 0.47 0.00 0.00 4.15 -0.67 -3.42 115.11 116.00 2gi4 h GLN 61 Ca 0.09 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2gi4 h GLN 61 Cb 0.10 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2gi4 h GLN 61 CO -0.01 0.31 0.00 1.47 -1.93 0.00 0.00 178.83 178.68 2gi4 n LEU 62 N -4.92 0.00 0.00 -2.39 -0.00 -0.98 -5.13 117.00 103.59 2gi4 n LEU 62 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2gi4 n LEU 62 Cb 0.21 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 2gi4 n LEU 62 CO 0.26 -0.16 0.00 0.59 -0.00 0.00 0.00 177.39 178.07 2gi4 n ASN 63 N -1.83 -0.34 -4.82 1.45 3.02 0.25 -5.00 115.26 107.99 2gi4 n ASN 63 Ca 0.00 -0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.07 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 -0.26 4.88 0.31 2.41 -1.09 -1.22 -4.39 121.20 121.84 2gi4 s ILE 64 Ca 0.00 1.03 0.08 0.00 -2.23 0.00 0.00 60.65 59.53 2gi4 s ILE 64 Cb 0.00 -3.81 0.31 0.00 -1.58 0.00 0.00 42.46 37.38 2gi4 s ILE 64 CO 0.00 0.57 1.71 -0.08 -1.23 0.00 0.00 174.94 175.90 2gi4 h GLU 65 N 4.63 0.47 0.00 2.79 4.81 -1.88 -3.40 114.58 122.00 2gi4 h GLU 65 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2gi4 h GLU 65 Cb 1.22 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2gi4 h GLU 65 CO 0.62 0.31 0.00 0.72 -0.73 0.00 0.00 179.01 179.93 2gi4 n HIS 66 N -4.97 0.00 -3.83 0.92 8.25 -1.26 -4.64 115.22 109.70 2gi4 n HIS 66 Ca 0.26 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2gi4 n HIS 66 Cb 0.74 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.86 2gi4 n HIS 66 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2gi4 n LYS 67 N -0.16 0.29 -3.25 -0.41 0.00 -1.26 -5.06 118.16 108.31 2gi4 n LYS 67 Ca 0.00 -0.77 -0.11 0.00 -0.00 0.00 0.00 58.31 57.44 2gi4 n LYS 67 Cb 0.00 1.10 0.03 0.00 -0.00 0.00 0.00 35.03 36.16 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 -0.92 -6.92 -4.40 -5.58 3.02 -1.26 -4.92 115.26 94.28 2gi4 n ASN 68 Ca 0.00 -0.46 -0.45 0.00 -0.03 0.00 0.00 54.58 53.64 2gi4 n ASN 68 Cb 0.38 -4.79 -0.03 0.00 -0.61 0.00 0.00 39.78 34.72 2gi4 n ASN 68 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2gi4 s PHE 69 N -3.19 3.13 -0.23 3.10 0.40 -1.26 -4.84 117.98 115.10 2gi4 s PHE 69 Ca 0.21 -1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 55.27 2gi4 s PHE 69 Cb -0.04 -4.11 0.12 0.00 0.51 0.00 0.00 43.02 39.50 2gi4 s PHE 69 CO 0.77 -1.35 0.31 -0.08 0.70 0.00 0.00 175.22 175.56 2gi4 s THR 70 N 2.42 -0.48 -0.08 0.64 -1.32 -0.39 -4.98 115.64 111.46 2gi4 s THR 70 Ca 0.21 -0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 2gi4 s THR 70 Cb -0.14 -0.75 -0.07 0.00 -1.51 0.00 0.00 72.50 70.02 2gi4 s THR 70 CO -0.01 -0.16 2.09 -1.54 -2.21 0.00 0.00 174.62 172.78 2gi4 n SER 71 N 5.34 3.77 -4.79 8.08 3.41 -1.24 -4.35 113.62 123.84 2gi4 n SER 71 Ca -0.04 0.59 -0.22 0.00 -0.26 0.00 0.00 58.87 58.94 2gi4 n SER 71 Cb 0.50 -1.54 -0.05 0.00 -0.26 0.00 0.00 64.21 62.86 2gi4 n SER 71 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2gi4 s LYS 72 N 5.31 2.76 -0.39 4.33 -0.14 -0.14 -4.92 119.74 126.55 2gi4 s LYS 72 Ca 0.94 -1.18 0.07 0.00 -1.36 0.00 0.00 55.97 54.44 2gi4 s LYS 72 Cb -0.39 -2.46 0.18 0.00 -1.68 0.00 0.00 37.83 33.47 2gi4 s LYS 72 CO 0.39 0.33 0.57 0.21 -0.76 0.00 0.00 175.35 176.09 2gi4 s LYS 73 N -3.84 0.76 0.01 1.68 2.20 -1.26 -4.06 119.74 115.22 2gi4 s LYS 73 Ca 0.34 -0.34 -0.33 0.00 -0.36 0.00 0.00 55.97 55.29 2gi4 s LYS 73 Cb -0.07 -0.08 -0.11 0.00 -1.51 0.00 0.00 37.83 36.06 2gi4 s LYS 73 CO 0.24 -1.18 1.85 -0.11 -0.36 0.00 0.00 175.35 175.80 2gi4 n LEU 74 N 4.46 3.65 0.00 5.43 0.00 -0.52 -4.85 117.00 125.17 2gi4 n LEU 74 Ca 0.10 0.98 -0.21 0.00 0.00 0.00 0.00 56.01 56.88 2gi4 n LEU 74 Cb 0.54 -1.44 -0.05 0.00 0.00 0.00 0.00 43.42 42.47 2gi4 n LEU 74 CO 0.02 0.01 -0.14 0.41 0.00 0.00 0.00 177.39 177.69 2gi4 n THR 75 N 4.92 0.00 -0.20 1.96 -1.04 -1.26 -4.72 114.28 113.95 2gi4 n THR 75 Ca 0.21 -1.86 -0.09 0.00 -2.04 0.00 0.00 64.05 60.27 2gi4 n THR 75 Cb 0.33 0.59 0.02 0.00 -1.82 0.00 0.00 70.33 69.44 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 0.91 -0.32 -2.82 3.07 -1.99 -0.76 115.11 113.19 2gi4 h GLN 76 Ca -0.27 -0.23 0.01 0.00 0.09 0.00 0.00 58.65 58.25 2gi4 h GLN 76 Cb 0.96 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 28.39 2gi4 h GLN 76 CO 0.43 0.85 0.20 -0.22 0.09 0.00 0.00 178.83 180.19 2gi4 h LYS 77 N 0.80 0.39 -0.56 0.06 3.64 -1.98 -0.71 116.57 118.22 2gi4 h LYS 77 Ca 0.17 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 2gi4 h LYS 77 Cb 0.37 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2gi4 h LYS 77 CO 0.00 0.26 0.03 -0.07 -2.27 0.00 0.00 179.45 177.40 2gi4 h LEU 78 N 0.41 0.91 -0.44 5.20 3.38 -1.91 -2.87 115.31 119.98 2gi4 h LEU 78 Ca 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2gi4 h LEU 78 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2gi4 h LEU 78 CO -0.04 0.95 0.26 0.00 0.09 0.00 0.00 178.44 179.70 2gi4 h ASP 80 N 0.59 0.00 0.00 0.00 3.32 -0.95 -2.99 116.42 116.38 2gi4 h ASP 80 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2gi4 h ASP 80 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gi4 h ASP 80 CO -0.03 0.00 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.12 2gi4 h GLU 81 N 0.00 0.00 -7.02 3.56 5.08 -1.01 -3.46 114.58 111.73 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 0.12 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.45 2gi4 h GLU 81 CO 0.00 0.18 0.52 -1.12 -1.00 0.00 0.00 179.01 177.59 2gi4 s SER 82 N -5.69 5.89 -0.01 1.42 0.01 -0.78 -4.80 113.70 109.75 2gi4 s SER 82 Ca -0.04 2.45 0.21 0.00 1.31 0.00 0.00 55.95 59.88 2gi4 s SER 82 Cb -0.00 -2.61 -0.26 0.00 0.21 0.00 0.00 66.02 63.36 2gi4 s SER 82 CO 0.13 -1.12 0.54 0.47 0.41 0.00 0.00 173.24 173.68 2gi4 n ASP 83 N -0.65 0.21 -3.98 2.44 9.92 0.04 -4.89 116.55 119.64 2gi4 n ASP 83 Ca 0.08 0.08 -0.27 0.00 -0.53 0.00 0.00 54.79 54.16 2gi4 n ASP 83 Cb 0.47 1.47 -0.17 0.00 -0.64 0.00 0.00 41.12 42.25 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 -3.31 1.61 -0.11 1.24 0.08 -0.94 -5.01 117.98 111.55 2gi4 s PHE 84 Ca -0.07 -0.75 -0.03 0.00 0.12 0.00 0.00 56.93 56.21 2gi4 s PHE 84 Cb 0.12 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2gi4 s PHE 84 CO 0.87 -0.44 -0.00 -0.51 -0.10 0.00 0.00 175.22 175.04 2gi4 s LEU 85 N 1.22 3.53 -0.11 -0.37 1.43 -0.53 -0.53 118.68 123.32 2gi4 s LEU 85 Ca -0.03 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2gi4 s LEU 85 Cb -0.14 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2gi4 s LEU 85 CO -0.03 0.32 0.02 -0.63 0.23 0.00 0.00 176.35 176.26 2gi4 s ILE 86 N -0.55 0.38 0.14 -0.59 1.01 -0.71 -0.94 121.20 119.94 2gi4 s ILE 86 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2gi4 s ILE 86 Cb -0.12 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2gi4 s ILE 86 CO 0.02 0.12 0.12 0.42 0.00 0.00 0.00 174.94 175.61 2gi4 s THR 87 N 1.96 4.48 0.00 2.92 -4.23 0.52 -1.70 115.64 119.59 2gi4 s THR 87 Ca 0.03 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2gi4 s THR 87 Cb -0.14 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2gi4 s THR 87 CO -0.06 -0.04 0.00 0.80 -0.54 0.00 0.00 174.62 174.78 2gi4 n MET 88 N -0.09 2.79 -2.78 3.99 1.56 -1.24 -2.42 117.12 118.92 2gi4 n MET 88 Ca -0.08 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 56.94 2gi4 n MET 88 Cb 0.54 -0.97 -0.05 0.00 2.15 0.00 0.00 33.22 34.89 2gi4 n MET 88 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2gi4 s ASP 89 N -2.61 7.45 0.10 6.12 1.11 -1.26 -4.40 116.67 123.17 2gi4 s ASP 89 Ca 0.00 1.73 -0.25 0.00 0.18 0.00 0.00 52.55 54.21 2gi4 s ASP 89 Cb 0.00 -2.57 -0.13 0.00 1.07 0.00 0.00 42.92 41.30 2gi4 s ASP 89 CO 0.00 -0.04 1.70 0.78 1.18 0.00 0.00 175.17 178.79 2gi4 h ASN 90 N 5.54 -0.28 -0.34 0.27 2.35 -1.87 -2.29 115.58 118.96 2gi4 h ASN 90 Ca -0.43 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.30 2gi4 h ASN 90 Cb 1.21 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.66 2gi4 h ASN 90 CO 0.71 -0.17 0.07 0.28 -1.65 0.00 0.00 177.43 176.68 2gi4 h SER 91 N -0.25 0.60 -0.14 5.81 0.02 -1.95 -2.25 113.55 115.39 2gi4 h SER 91 Ca 0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2gi4 h SER 91 Cb 0.23 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2gi4 h SER 91 CO -0.02 0.62 0.09 -1.13 -1.14 0.00 0.00 176.83 175.24 2gi4 h ASN 92 N 0.62 0.17 0.09 3.07 -0.73 -1.86 -1.69 115.58 115.25 2gi4 h ASN 92 Ca 0.14 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 2gi4 h ASN 92 Cb 0.28 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.83 2gi4 h ASN 92 CO 0.00 0.14 -0.04 0.15 -0.37 0.00 0.00 177.43 177.31 2gi4 h PHE 93 N 0.20 -0.11 -0.54 0.67 3.57 -0.85 -0.43 116.94 119.44 2gi4 h PHE 93 Ca 0.05 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2gi4 h PHE 93 Cb -0.00 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2gi4 h PHE 93 CO 0.00 0.16 0.10 -0.22 -2.23 0.00 0.00 178.31 176.11 2gi4 h LYS 94 N -0.38 0.86 0.34 1.11 3.64 -1.50 -1.64 116.57 119.00 2gi4 h LYS 94 Ca -0.01 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2gi4 h LYS 94 Cb 0.32 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2gi4 h LYS 94 CO 0.02 0.79 -0.17 -0.91 -2.27 0.00 0.00 179.45 176.92 2gi4 h ASN 95 N 0.82 -0.39 0.07 4.20 2.35 -1.26 -3.11 115.58 118.26 2gi4 h ASN 95 Ca 0.17 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2gi4 h ASN 95 Cb 0.35 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2gi4 h ASN 95 CO 0.01 -0.01 -0.03 1.62 -1.65 0.00 0.00 177.43 177.36 2gi4 h VAL 96 N -0.83 0.60 -0.92 2.81 3.04 -1.06 0.20 116.25 120.09 2gi4 h VAL 96 Ca -0.05 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.51 2gi4 h VAL 96 Cb 0.53 1.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.84 2gi4 h VAL 96 CO 0.08 0.03 0.52 0.25 -1.01 0.00 0.00 177.57 177.44 2gi4 h LEU 97 N 0.00 1.13 -0.72 3.16 5.85 -1.22 -2.74 115.31 120.77 2gi4 h LEU 97 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2gi4 h LEU 97 Cb 0.07 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.82 2gi4 h LEU 97 CO 0.00 0.89 -0.51 1.17 -0.34 0.00 0.00 178.44 179.65 2gi4 n LYS 98 N -4.34 1.36 -0.03 1.25 4.81 -0.82 -4.47 118.16 115.91 2gi4 n LYS 98 Ca 0.10 -0.69 -0.15 0.00 -0.87 0.00 0.00 58.31 56.70 2gi4 n LYS 98 Cb 0.08 -1.37 -0.09 0.00 0.02 0.00 0.00 35.03 33.67 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 1.62 0.36 -6.23 3.14 -0.73 -0.32 -3.47 115.58 109.96 2gi4 h ASN 99 Ca 0.00 -0.65 -0.44 0.00 1.87 0.00 0.00 56.30 57.08 2gi4 h ASN 99 Cb 0.60 -0.11 0.02 0.00 0.27 0.00 0.00 38.32 39.10 2gi4 h ASN 99 CO 0.00 0.95 -0.08 0.49 -0.37 0.00 0.00 177.43 178.42 2gi4 n PHE 100 N -4.46 -2.15 -0.30 0.67 3.72 -1.12 -5.06 117.46 108.77 2gi4 n PHE 100 Ca -0.08 -1.92 0.00 0.00 -0.05 0.00 0.00 57.45 55.40 2gi4 n PHE 100 Cb 0.48 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.07 0.00 0.28 4.37 -2.24 -1.26 -4.77 114.28 108.59 2gi4 n THR 101 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2gi4 n THR 101 Cb 0.54 -0.74 0.02 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.45 0.00 -0.68 3.42 4.05 -1.26 -2.17 115.26 116.17 2gi4 n ASN 102 Ca 0.00 -0.26 0.07 0.00 0.45 0.00 0.00 54.58 54.83 2gi4 n ASN 102 Cb 0.00 0.00 0.20 0.00 1.23 0.00 0.00 39.78 41.21 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 2gi4 n THR 103 N -0.57 0.46 0.26 -0.44 5.66 -1.26 -4.05 114.28 114.34 2gi4 n THR 103 Ca 0.00 -0.48 0.04 0.00 -3.05 0.00 0.00 64.05 60.56 2gi4 n THR 103 Cb 0.00 0.27 0.17 0.00 -1.55 0.00 0.00 70.33 69.23 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 0.56 0.01 0.00 1.09 -0.00 -0.92 -1.73 117.38 116.38 2gi4 n GLN 104 Ca 0.13 0.37 0.08 0.00 -0.00 0.00 0.00 57.00 57.59 2gi4 n GLN 104 Cb 0.32 -1.51 0.48 0.00 -0.00 0.00 0.00 30.24 29.52 2gi4 n GLN 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2gi4 n ASN 105 N -1.53 0.00 -1.03 2.61 5.15 -1.26 -2.84 115.26 116.37 2gi4 n ASN 105 Ca 0.02 -1.40 0.09 0.00 -0.60 0.00 0.00 54.58 52.69 2gi4 n ASN 105 Cb 0.09 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 39.59 2gi4 n ASN 105 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2gi4 n LYS 106 N -0.77 2.82 -3.55 1.20 4.01 -0.71 -4.97 118.16 116.20 2gi4 n LYS 106 Ca 0.12 -2.39 -0.38 0.00 -0.51 0.00 0.00 58.31 55.16 2gi4 n LYS 106 Cb 0.06 -1.44 -0.06 0.00 -0.51 0.00 0.00 35.03 33.08 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 -1.02 5.08 -0.21 -0.18 1.01 -1.13 -1.46 120.40 122.49 2gi4 s VAL 107 Ca 0.37 0.73 0.01 0.00 0.00 0.00 0.00 61.98 63.10 2gi4 s VAL 107 Cb 0.19 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.95 2gi4 s VAL 107 CO 0.25 0.55 -0.09 -0.76 0.00 0.00 0.00 175.10 175.05 2gi4 s LEU 108 N -1.16 2.46 0.20 3.92 1.02 -0.11 -4.91 118.68 120.09 2gi4 s LEU 108 Ca 0.24 -1.00 -0.16 0.00 0.02 0.00 0.00 54.13 53.23 2gi4 s LEU 108 Cb -0.16 -1.26 -0.08 0.00 0.02 0.00 0.00 46.19 44.72 2gi4 s LEU 108 CO 0.13 -0.17 0.63 -1.59 0.02 0.00 0.00 176.35 175.37 2gi4 s LYS 109 N 1.36 4.08 0.45 1.70 -2.85 -1.22 -0.35 119.74 122.90 2gi4 s LYS 109 Ca -0.03 0.64 0.31 0.00 -1.00 0.00 0.00 55.97 55.89 2gi4 s LYS 109 Cb -0.17 -2.85 1.51 0.00 -2.06 0.00 0.00 37.83 34.25 2gi4 s LYS 109 CO -0.07 0.41 1.93 0.97 0.10 0.00 0.00 175.35 178.69 2gi4 h ILE 110 N 2.66 0.00 -0.91 3.79 6.09 -1.68 -2.65 117.51 124.80 2gi4 h ILE 110 Ca -0.48 -0.17 0.01 0.00 -1.37 0.00 0.00 64.86 62.85 2gi4 h ILE 110 Cb 1.19 0.95 -0.05 0.00 0.47 0.00 0.00 36.82 39.39 2gi4 h ILE 110 CO 0.66 0.00 0.61 0.74 -3.07 0.00 0.00 178.15 177.08 2gi4 h THR 111 N 0.00 1.23 -0.00 2.19 2.02 -1.86 0.45 112.91 116.95 2gi4 h THR 111 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2gi4 h THR 111 Cb 0.20 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2gi4 h THR 111 CO 0.00 0.23 -0.03 -0.67 0.37 0.00 0.00 175.52 175.42 2gi4 n ASP 112 N -4.40 0.13 -0.05 4.18 2.03 -1.00 -3.26 116.55 114.18 2gi4 n ASP 112 Ca 0.11 -0.43 0.02 0.00 0.52 0.00 0.00 54.79 55.00 2gi4 n ASP 112 Cb 0.02 -0.17 0.03 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.13 0.00 -3.43 -0.67 3.01 -0.10 -4.94 117.46 110.20 2gi4 n PHE 113 Ca 0.16 -0.49 -0.20 0.00 1.01 0.00 0.00 57.45 57.94 2gi4 n PHE 113 Cb 0.23 -0.06 -0.11 0.00 -0.01 0.00 0.00 39.48 39.52 2gi4 n PHE 113 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2gi4 s SER 114 N -1.24 2.10 0.00 4.37 0.01 0.14 -4.82 113.70 114.26 2gi4 s SER 114 Ca 0.07 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2gi4 s SER 114 Cb 0.06 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2gi4 s SER 114 CO 0.01 -0.39 0.00 -2.65 0.41 0.00 0.00 173.24 170.62 2gi4 n PRO 115 N 5.15 0.00 0.00 12.44 -0.02 -1.26 -3.83 135.00 147.48 2gi4 n PRO 115 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2gi4 n PRO 115 Cb 0.45 -0.31 0.01 0.00 -0.02 0.00 0.00 33.50 33.63 2gi4 n PRO 115 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2gi4 n SER 116 N 0.00 0.00 -2.00 2.55 3.41 -1.26 -3.71 113.62 112.61 2gi4 n SER 116 Ca 0.00 -1.61 -0.22 0.00 -0.26 0.00 0.00 58.87 56.78 2gi4 n SER 116 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2gi4 n SER 116 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gi4 n LEU 117 N -0.50 6.48 -4.56 1.04 4.77 -1.25 -4.91 117.00 118.07 2gi4 n LEU 117 Ca 0.00 -3.44 -0.25 0.00 -0.03 0.00 0.00 56.01 52.30 2gi4 n LEU 117 Cb 0.00 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.12 2gi4 n LEU 117 CO 0.00 1.16 1.43 0.20 -1.33 0.00 0.00 177.39 178.85 2gi4 s ASN 118 N -0.65 4.58 0.43 -1.43 -0.87 -1.24 -4.92 114.94 110.84 2gi4 s ASN 118 Ca 0.43 -0.01 0.07 0.00 -1.57 0.00 0.00 52.86 51.78 2gi4 s ASN 118 Cb 0.35 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 2gi4 s ASN 118 CO 0.02 -3.15 0.19 -0.72 -2.57 0.00 0.00 177.10 170.87 2gi4 s TYR 119 N 12.06 2.45 0.00 2.20 1.13 -1.26 -5.15 117.35 128.78 2gi4 s TYR 119 Ca 0.82 -0.64 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 2gi4 s TYR 119 Cb -0.11 -1.93 0.00 0.00 -1.10 0.00 0.00 41.96 38.81 2gi4 s TYR 119 CO 0.09 0.12 0.00 -3.47 -2.51 0.00 0.00 175.55 169.78 2gi4 n ASP 120 N -1.29 0.00 -4.48 -0.18 2.03 -1.26 -4.79 116.55 106.57 2gi4 n ASP 120 Ca -0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 2gi4 n ASP 120 Cb 0.65 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.01 2gi4 n ASP 120 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2gi4 s GLU 121 N 2.78 3.15 0.23 -0.67 8.01 -1.26 -4.50 118.70 126.44 2gi4 s GLU 121 Ca 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 54.97 54.34 2gi4 s GLU 121 Cb 0.00 -4.20 0.00 0.00 -4.31 0.00 0.00 34.13 25.62 2gi4 s GLU 121 CO 0.00 -1.87 0.00 0.28 0.01 0.00 0.00 175.26 173.68 2gi4 n VAL 122 N 6.06 -3.42 0.00 2.63 0.31 -1.26 -4.94 118.33 117.72 2gi4 n VAL 122 Ca -0.02 1.35 0.00 0.00 -0.01 0.00 0.00 64.34 65.66 2gi4 n VAL 122 Cb 0.46 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 2gi4 n VAL 122 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2gi4 n PRO 123 N -0.28 0.71 -1.05 5.55 -0.02 -1.26 -4.43 135.00 134.22 2gi4 n PRO 123 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 2gi4 n PRO 123 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2gi4 n PRO 123 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gi4 n ASP 124 N 0.00 -5.68 0.04 2.55 -0.08 -1.23 -3.65 116.55 108.50 2gi4 n ASP 124 Ca 0.00 1.18 0.05 0.00 -1.51 0.00 0.00 54.79 54.50 2gi4 n ASP 124 Cb 0.00 -3.33 0.46 0.00 2.34 0.00 0.00 41.12 40.59 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 -0.39 0.46 -0.02 -0.67 0.13 -1.66 0.29 132.00 130.13 2gi4 h PRO 125 Ca -0.06 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2gi4 h PRO 125 Cb 0.81 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2gi4 h PRO 125 CO 0.02 0.30 0.03 2.35 -0.23 0.00 0.00 178.00 180.48 2gi4 h TRP 126 N 0.47 0.00 0.00 1.56 2.91 -1.90 -2.89 115.95 116.10 2gi4 h TRP 126 Ca 0.13 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.15 2gi4 h TRP 126 Cb -0.04 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 2gi4 h TRP 126 CO -0.00 0.00 -0.36 0.66 -1.03 0.00 0.00 178.44 177.71 2gi4 n TYR 127 N -3.68 0.00 -0.06 2.65 4.01 -0.70 -4.92 117.16 114.47 2gi4 n TYR 127 Ca -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 2gi4 n TYR 127 Cb 0.12 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 2gi4 n TYR 127 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2gi4 h SER 128 N -0.36 0.00 0.00 7.72 0.02 -0.56 -3.50 113.55 116.87 2gi4 h SER 128 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2gi4 h SER 128 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2gi4 h SER 128 CO 0.00 0.73 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 2gi4 n GLY 129 N 1.67 0.75 3.37 -3.77 0.00 -1.09 -4.93 105.19 101.20 2gi4 n GLY 129 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 2.41 -0.08 1.61 2.47 -1.26 -4.48 114.94 115.60 2gi4 s ASN 130 Ca 0.00 -1.15 -0.07 0.00 0.42 0.00 0.00 52.86 52.06 2gi4 s ASN 130 Cb 0.00 -0.10 -0.28 0.00 -1.45 0.00 0.00 41.25 39.42 2gi4 s ASN 130 CO 0.00 -0.36 0.52 -0.26 -3.72 0.00 0.00 177.10 173.28 2gi4 h PHE 131 N 2.42 0.54 -0.09 0.43 0.04 -1.89 -2.44 116.94 115.94 2gi4 h PHE 131 Ca -0.39 -0.39 0.03 0.00 2.80 0.00 0.00 57.97 60.02 2gi4 h PHE 131 Cb 1.23 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 2gi4 h PHE 131 CO 0.66 1.68 0.22 0.22 -0.60 0.00 0.00 178.31 180.49 2gi4 h ASP 132 N 0.08 0.00 -0.06 2.17 1.82 -1.98 -2.35 116.42 116.10 2gi4 h ASP 132 Ca -0.38 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.29 2gi4 h ASP 132 Cb 2.06 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 42.04 2gi4 h ASP 132 CO 0.12 0.00 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.33 2gi4 h GLU 133 N 0.00 -0.12 -0.88 0.28 4.39 -1.94 -2.32 114.58 113.99 2gi4 h GLU 133 Ca 0.04 0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.97 2gi4 h GLU 133 Cb 0.49 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.04 2gi4 h GLU 133 CO -0.00 -0.08 0.34 1.79 -1.16 0.00 0.00 179.01 179.89 2gi4 h THR 134 N -0.13 0.44 -0.41 1.13 1.35 -1.66 0.20 112.91 113.83 2gi4 h THR 134 Ca 0.06 -0.12 -0.09 0.00 -0.55 0.00 0.00 66.41 65.71 2gi4 h THR 134 Cb 0.21 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.69 2gi4 h THR 134 CO -0.14 0.06 -0.09 0.22 -0.25 0.00 0.00 175.52 175.32 2gi4 h TYR 135 N 0.34 0.87 0.39 4.73 3.20 -1.60 -1.45 116.97 123.45 2gi4 h TYR 135 Ca 0.55 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 2gi4 h TYR 135 Cb 1.05 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 2gi4 h TYR 135 CO -0.18 0.90 -0.32 0.87 -1.64 0.00 0.00 178.16 177.79 2gi4 h LYS 136 N 0.59 -0.69 0.14 1.82 1.57 -0.46 0.27 116.57 119.81 2gi4 h LYS 136 Ca 0.10 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2gi4 h LYS 136 Cb 0.61 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2gi4 h LYS 136 CO 0.04 -0.46 -0.07 0.82 -0.57 0.00 0.00 179.45 179.21 2gi4 h ILE 137 N -0.72 1.02 -0.50 1.86 1.08 -1.44 -2.58 117.51 116.23 2gi4 h ILE 137 Ca -0.03 -0.78 0.07 0.00 -0.39 0.00 0.00 64.86 63.72 2gi4 h ILE 137 Cb 0.63 1.50 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 2gi4 h ILE 137 CO -0.02 0.18 0.18 -0.07 -0.69 0.00 0.00 178.15 177.73 2gi4 h LEU 138 N -0.56 0.18 0.62 1.44 -0.00 -1.29 0.12 115.31 115.81 2gi4 h LEU 138 Ca -0.02 0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 2gi4 h LEU 138 Cb 0.44 0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 2gi4 h LEU 138 CO 0.03 0.13 -0.30 -1.28 -0.00 0.00 0.00 178.44 177.02 2gi4 h SER 139 N 0.36 -0.71 0.64 -0.43 0.87 -0.99 -0.94 113.55 112.34 2gi4 h SER 139 Ca 0.24 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2gi4 h SER 139 Cb 0.25 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2gi4 h SER 139 CO -0.24 -0.45 -0.39 0.25 -0.53 0.00 0.00 176.83 175.47 2gi4 h LEU 140 N -0.92 -0.97 -0.76 2.23 5.85 -1.34 -2.33 115.31 117.07 2gi4 h LEU 140 Ca -0.09 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.84 2gi4 h LEU 140 Cb 0.67 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 2gi4 h LEU 140 CO 0.14 -0.61 0.28 0.00 -0.34 0.00 0.00 178.44 177.91 2gi4 h ALA 141 N -0.68 1.06 -0.19 1.25 0.00 -0.83 -1.01 119.26 118.85 2gi4 h ALA 141 Ca -0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2gi4 h ALA 141 Cb 0.78 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2gi4 h ALA 141 CO 0.08 -0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.20 2gi4 h LYS 143 N 0.24 -0.76 -0.53 0.00 3.64 -0.79 -0.28 116.57 118.09 2gi4 h LYS 143 Ca 0.07 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 2gi4 h LYS 143 Cb -0.02 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 31.87 2gi4 h LYS 143 CO -0.02 -0.51 -0.09 -0.91 -2.27 0.00 0.00 179.45 175.65 2gi4 h ASN 144 N -0.91 -0.41 -0.76 4.20 4.21 -1.27 -0.88 115.58 119.76 2gi4 h ASN 144 Ca -0.08 0.15 -0.02 0.00 1.21 0.00 0.00 56.30 57.55 2gi4 h ASN 144 Cb 0.60 0.30 -0.04 0.00 -1.12 0.00 0.00 38.32 38.06 2gi4 h ASN 144 CO 0.13 -0.15 0.38 0.25 -1.29 0.00 0.00 177.43 176.76 2gi4 h LEU 145 N 0.04 0.98 -0.46 1.61 5.85 -1.13 -1.65 115.31 120.56 2gi4 h LEU 145 Ca 0.26 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2gi4 h LEU 145 Cb 0.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2gi4 h LEU 145 CO -0.52 0.83 0.30 0.25 -0.34 0.00 0.00 178.44 178.97 2gi4 h LEU 146 N 1.07 0.52 0.19 2.25 6.46 0.25 0.16 115.31 126.20 2gi4 h LEU 146 Ca 0.26 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2gi4 h LEU 146 Cb 0.09 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2gi4 h LEU 146 CO -0.04 0.38 -0.09 0.58 -0.62 0.00 0.00 178.44 178.65 2gi4 h VAL 147 N 0.61 0.91 -0.06 1.05 2.07 -1.02 -2.38 116.25 117.43 2gi4 h VAL 147 Ca 0.17 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2gi4 h VAL 147 Cb -0.07 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2gi4 h VAL 147 CO -0.04 0.13 -0.14 0.15 0.02 0.00 0.00 177.57 177.70 2gi4 h PHE 148 N -0.55 0.09 0.15 1.57 3.57 -1.25 0.53 116.94 121.06 2gi4 h PHE 148 Ca -0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2gi4 h PHE 148 Cb 0.41 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2gi4 h PHE 148 CO 0.02 0.23 -0.07 1.25 -2.23 0.00 0.00 178.31 177.51 2gi4 h LEU 149 N 0.09 -0.17 -5.18 0.59 5.85 -0.60 -3.43 115.31 112.45 2gi4 h LEU 149 Ca 0.02 -0.30 -0.27 0.00 0.84 0.00 0.00 57.88 58.17 2gi4 h LEU 149 Cb 0.30 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 41.19 2gi4 h LEU 149 CO 0.02 0.23 -0.59 -1.54 -0.34 0.00 0.00 178.44 176.22 2gi4 n SER 150 N -5.00 -2.50 0.00 1.25 3.41 -0.90 -4.91 113.62 104.97 2gi4 n SER 150 Ca -0.09 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 2gi4 n SER 150 Cb 0.24 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 2gi4 n SER 150 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2gi4 n LYS 151 N 1.85 0.00 -0.07 4.33 4.81 0.46 -4.84 118.16 124.71 2gi4 n LYS 151 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.52 2gi4 n LYS 151 Cb 0.60 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.63 2gi4 n LYS 151 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2gi4 n HIS 152 N 0.00 0.80 -3.15 5.64 -0.00 0.16 -4.91 115.22 113.75 2gi4 n HIS 152 Ca 0.00 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.53 2gi4 n HIS 152 Cb 0.01 -0.72 0.00 0.00 -0.12 0.00 0.00 29.99 29.15 2gi4 n HIS 152 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2gi4 n HIS 153 N -4.51 -2.38 -3.59 1.57 8.25 -1.26 -5.08 115.22 108.22 2gi4 n HIS 153 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2gi4 n HIS 153 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2gi4 n HIS 153 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2gi4 n HIS 154 N -0.79 -0.20 -2.69 4.41 8.25 -1.26 -4.92 115.22 118.02 2gi4 n HIS 154 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 2gi4 n HIS 154 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2gi4 n HIS 154 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2gi4 n HIS 155 N 0.00 -1.47 -1.10 4.41 -0.00 -1.26 -5.19 115.22 110.61 2gi4 n HIS 155 Ca 0.00 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.36 2gi4 n HIS 155 Cb 0.00 -3.56 0.00 0.00 -0.12 0.00 0.00 29.99 26.31 2gi4 n HIS 155 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52