#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg5 n GLU 2 N 0.00 2.11 -1.72 0.00 4.71 -1.26 -4.99 120.64 119.49 1rg5 n GLU 2 Ca 0.00 0.74 -0.42 0.00 -0.01 0.00 0.00 57.16 57.47 1rg5 n GLU 2 Cb 0.00 -2.41 -0.01 0.00 -1.01 0.00 0.00 31.44 28.01 1rg5 n GLU 2 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 1rg5 n TYR 3 N 0.06 2.54 0.51 -0.32 9.36 -1.26 -4.97 117.16 123.08 1rg5 n TYR 3 Ca 0.05 0.46 0.08 0.00 3.32 0.00 0.00 57.90 61.81 1rg5 n TYR 3 Cb 0.38 -2.48 -0.11 0.00 -0.63 0.00 0.00 39.34 36.50 1rg5 n TYR 3 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1rg5 n GLN 4 N 1.03 1.19 -2.45 2.98 1.13 -1.26 -5.02 117.38 114.98 1rg5 n GLN 4 Ca 0.06 -0.05 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 1rg5 n GLN 4 Cb 0.36 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1rg5 n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1rg5 n ASN 5 N -1.63 -4.43 0.01 1.08 5.15 -1.26 -4.95 115.26 109.23 1rg5 n ASN 5 Ca 0.01 -0.08 -0.20 0.00 -0.60 0.00 0.00 54.58 53.71 1rg5 n ASN 5 Cb 0.32 -3.49 -0.14 0.00 -0.53 0.00 0.00 39.78 35.95 1rg5 n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1rg5 h ILE 6 N -0.34 1.28 -3.64 -1.44 1.08 -1.97 -3.46 117.51 109.01 1rg5 h ILE 6 Ca -0.34 -2.43 -0.67 0.00 -0.39 0.00 0.00 64.86 61.03 1rg5 h ILE 6 Cb 1.25 2.92 -0.17 0.00 -3.07 0.00 0.00 36.82 37.75 1rg5 h ILE 6 CO 0.39 0.67 -0.78 -0.36 -0.69 0.00 0.00 178.15 177.38 1rg5 s PHE 7 N -2.42 2.62 0.37 1.37 0.08 -1.26 -4.82 117.98 113.92 1rg5 s PHE 7 Ca -0.18 -0.22 -0.25 0.00 0.12 0.00 0.00 56.93 56.40 1rg5 s PHE 7 Cb 0.02 -1.38 -0.09 0.00 -0.57 0.00 0.00 43.02 41.01 1rg5 s PHE 7 CO 0.77 0.41 1.03 -1.12 -0.10 0.00 0.00 175.22 176.20 1rg5 s SER 8 N -2.19 6.94 0.02 1.36 0.01 -0.76 -4.99 113.70 114.09 1rg5 s SER 8 Ca 0.19 2.02 0.06 0.00 1.31 0.00 0.00 55.95 59.53 1rg5 s SER 8 Cb -0.11 -2.59 -0.24 0.00 0.21 0.00 0.00 66.02 63.30 1rg5 s SER 8 CO 0.12 -0.36 0.91 1.56 0.41 0.00 0.00 173.24 175.87 1rg5 h GLN 9 N 2.77 0.07 -4.14 12.44 4.20 -1.98 -3.46 115.11 125.02 1rg5 h GLN 9 Ca -0.48 -0.13 -0.37 0.00 0.06 0.00 0.00 58.65 57.74 1rg5 h GLN 9 Cb 1.21 0.05 -0.32 0.00 0.30 0.00 0.00 27.48 28.72 1rg5 h GLN 9 CO 0.63 0.84 -0.76 0.08 -0.67 0.00 0.00 178.83 178.96 1rg5 s VAL 10 N -2.64 0.45 0.04 -0.54 1.01 -1.26 -5.15 120.40 112.31 1rg5 s VAL 10 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1rg5 s VAL 10 Cb 0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1rg5 s VAL 10 CO 0.83 0.17 0.17 -1.10 0.00 0.00 0.00 175.10 175.17 1rg5 s GLN 11 N 0.47 3.31 -0.02 2.72 -0.21 -1.26 -5.11 119.66 119.56 1rg5 s GLN 11 Ca -0.06 -0.45 0.02 0.00 0.02 0.00 0.00 55.36 54.89 1rg5 s GLN 11 Cb -0.09 -2.99 0.00 0.00 1.00 0.00 0.00 33.01 30.93 1rg5 s GLN 11 CO -0.00 0.62 -0.08 0.08 -2.12 0.00 0.00 175.29 173.79 1rg5 s VAL 12 N -1.41 0.70 0.02 1.09 1.01 -1.26 -5.16 120.40 115.40 1rg5 s VAL 12 Ca 0.31 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1rg5 s VAL 12 Cb -0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1rg5 s VAL 12 CO 0.23 0.22 -0.07 -0.60 0.00 0.00 0.00 175.10 174.88 1rg5 s ARG 13 N 0.06 0.52 0.00 2.72 3.52 -1.26 -5.08 118.95 119.44 1rg5 s ARG 13 Ca -0.01 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1rg5 s ARG 13 Cb -0.06 -0.41 0.00 0.00 -1.56 0.00 0.00 34.95 32.92 1rg5 s ARG 13 CO 0.00 0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1rg5 n GLY 14 N 2.22 4.25 3.67 8.12 0.00 -1.26 -5.13 105.19 117.07 1rg5 n GLY 14 Ca -0.18 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 1rg5 n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rg5 n PRO 15 N 0.00 1.66 -1.62 1.61 -0.02 -1.26 -4.89 135.00 130.48 1rg5 n PRO 15 Ca 0.00 0.60 -0.48 0.00 -2.02 0.00 0.00 63.50 61.60 1rg5 n PRO 15 Cb 0.00 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 1rg5 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rg5 n ALA 16 N -0.46 0.03 -2.58 3.55 0.00 -1.26 -4.93 120.51 114.86 1rg5 n ALA 16 Ca 0.08 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 1rg5 n ALA 16 Cb 0.40 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 1rg5 n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rg5 s ASP 17 N 0.32 6.53 0.08 0.00 -1.08 -1.26 -4.93 116.67 116.33 1rg5 s ASP 17 Ca 0.75 0.30 0.25 0.00 -0.52 0.00 0.00 52.55 53.33 1rg5 s ASP 17 Cb -0.79 -2.39 1.00 0.00 -1.46 0.00 0.00 42.92 39.28 1rg5 s ASP 17 CO 0.48 -0.72 1.79 0.18 0.52 0.00 0.00 175.17 177.42 1rg5 n LEU 18 N 6.38 0.28 0.00 -1.34 4.77 -1.26 -4.72 117.00 121.11 1rg5 n LEU 18 Ca 0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1rg5 n LEU 18 Cb 0.48 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1rg5 n LEU 18 CO 0.53 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1rg5 n GLY 19 N 1.05 -0.52 3.76 -0.72 0.00 -1.26 -4.95 105.19 102.55 1rg5 n GLY 19 Ca 0.06 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1rg5 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rg5 s MET 20 N -1.83 2.74 -0.14 1.61 -1.94 -1.26 -5.02 119.30 113.45 1rg5 s MET 20 Ca 0.00 1.58 -0.14 0.00 -1.71 0.00 0.00 55.69 55.42 1rg5 s MET 20 Cb 0.00 -1.93 -0.05 0.00 2.01 0.00 0.00 34.83 34.86 1rg5 s MET 20 CO 0.00 -1.34 -0.28 2.41 -0.01 0.00 0.00 175.02 175.80 1rg5 n THR 21 N -2.21 1.41 0.00 2.05 -1.04 -1.26 -4.96 114.28 108.27 1rg5 n THR 21 Ca 0.12 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1rg5 n THR 21 Cb 0.51 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1rg5 n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rg5 n GLU 22 N -4.22 0.00 -0.72 -2.82 -0.58 -1.26 -1.30 120.64 109.74 1rg5 n GLU 22 Ca -0.16 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.67 1rg5 n GLU 22 Cb 0.47 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.72 1rg5 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1rg5 n ASP 23 N 2.55 5.12 -4.74 1.62 8.00 -0.77 -4.98 116.55 123.36 1rg5 n ASP 23 Ca 0.00 -2.61 -0.41 0.00 0.71 0.00 0.00 54.79 52.48 1rg5 n ASP 23 Cb 0.00 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.45 1rg5 n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rg5 s VAL 24 N -2.15 3.48 -0.57 2.53 1.01 -0.42 -4.94 120.40 119.36 1rg5 s VAL 24 Ca 0.53 1.24 -0.27 0.00 0.00 0.00 0.00 61.98 63.47 1rg5 s VAL 24 Cb 0.36 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 1rg5 s VAL 24 CO 0.22 0.19 1.64 0.21 0.00 0.00 0.00 175.10 177.36 1rg5 s ASN 25 N 0.21 5.74 0.50 3.32 3.04 -1.26 -4.89 114.94 121.61 1rg5 s ASN 25 Ca 0.54 0.38 0.28 0.00 0.04 0.00 0.00 52.86 54.10 1rg5 s ASN 25 Cb -0.34 -2.54 1.30 0.00 -1.54 0.00 0.00 41.25 38.13 1rg5 s ASN 25 CO 0.37 -2.00 1.98 -0.07 -3.04 0.00 0.00 177.10 174.34 1rg5 h LEU 26 N 14.56 0.00 -2.80 3.21 3.38 -1.96 -2.38 115.31 129.32 1rg5 h LEU 26 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1rg5 h LEU 26 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1rg5 h LEU 26 CO 1.18 0.14 0.03 0.00 0.09 0.00 0.00 178.44 179.88 1rg5 h ALA 27 N 1.86 1.15 -0.62 1.53 0.00 -2.02 -2.60 119.26 118.56 1rg5 h ALA 27 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rg5 h ALA 27 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rg5 h ALA 27 CO 0.02 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1rg5 n ASN 28 N -3.24 3.73 -4.85 0.00 3.02 -0.89 -4.93 115.26 108.10 1rg5 n ASN 28 Ca -0.03 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 1rg5 n ASN 28 Cb 0.10 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 1rg5 n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1rg5 s ARG 29 N -1.17 3.91 1.12 3.52 0.52 -0.98 -1.20 118.95 124.66 1rg5 s ARG 29 Ca 0.46 0.39 -0.19 0.00 -0.52 0.00 0.00 55.73 55.86 1rg5 s ARG 29 Cb 0.24 -3.06 0.26 0.00 0.52 0.00 0.00 34.95 32.92 1rg5 s ARG 29 CO 0.33 0.58 1.22 -1.54 0.02 0.00 0.00 175.30 175.90 1rg5 s SER 30 N -1.51 1.67 0.80 0.23 1.04 0.16 -4.97 113.70 111.12 1rg5 s SER 30 Ca 0.32 0.38 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 1rg5 s SER 30 Cb -0.15 -0.45 0.07 0.00 0.10 0.00 0.00 66.02 65.58 1rg5 s SER 30 CO 0.17 -3.64 1.13 -0.83 0.98 0.00 0.00 173.24 171.06 1rg5 s GLY 31 N -4.42 1.60 0.48 7.32 0.00 -1.26 -4.60 107.32 106.45 1rg5 s GLY 31 Ca 0.74 -0.46 -0.21 0.00 0.00 0.00 0.00 44.72 44.78 1rg5 s GLY 31 CO 0.55 -0.00 1.09 0.14 0.00 0.00 0.00 173.10 174.88 1rg5 s VAL 32 N -3.38 3.45 0.00 1.40 1.01 -1.26 -4.34 120.40 117.28 1rg5 s VAL 32 Ca 0.61 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1rg5 s VAL 32 Cb -0.12 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1rg5 s VAL 32 CO 0.52 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1rg5 n GLY 33 N 0.12 0.21 3.88 4.51 0.00 0.96 -4.94 105.19 109.93 1rg5 n GLY 33 Ca 0.09 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1rg5 n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rg5 s PRO 34 N -1.88 3.08 0.07 1.61 0.04 -1.26 -4.65 135.00 132.01 1rg5 s PRO 34 Ca 0.00 0.51 -0.21 0.00 0.04 0.00 0.00 61.00 61.34 1rg5 s PRO 34 Cb 0.00 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1rg5 s PRO 34 CO 0.00 -0.87 0.63 -0.06 0.04 0.00 0.00 177.00 176.74 1rg5 s PHE 35 N -3.28 3.80 -0.33 0.56 0.40 -1.26 -2.84 117.98 115.04 1rg5 s PHE 35 Ca 0.57 1.34 -0.07 0.00 -0.60 0.00 0.00 56.93 58.17 1rg5 s PHE 35 Cb -0.11 -2.59 0.03 0.00 0.51 0.00 0.00 43.02 40.85 1rg5 s PHE 35 CO 0.52 0.50 0.11 0.45 0.70 0.00 0.00 175.22 177.50 1rg5 s SER 36 N -0.85 5.29 0.28 1.36 0.15 0.45 -4.97 113.70 115.41 1rg5 s SER 36 Ca 0.31 -0.97 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 1rg5 s SER 36 Cb -0.20 -1.89 0.40 0.00 -1.71 0.00 0.00 66.02 62.62 1rg5 s SER 36 CO 0.20 -0.28 1.87 0.74 1.20 0.00 0.00 173.24 176.97 1rg5 h THR 37 N 6.03 1.22 0.36 6.45 2.02 -1.98 -1.85 112.91 125.17 1rg5 h THR 37 Ca -0.26 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1rg5 h THR 37 Cb 1.10 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1rg5 h THR 37 CO 0.61 0.27 -0.39 0.25 0.37 0.00 0.00 175.52 176.63 1rg5 h LEU 38 N 0.93 -1.07 -1.62 2.58 5.85 -1.98 -2.77 115.31 117.23 1rg5 h LEU 38 Ca 0.22 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1rg5 h LEU 38 Cb 0.14 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1rg5 h LEU 38 CO -0.02 -0.53 0.19 -0.07 -0.34 0.00 0.00 178.44 177.67 1rg5 h LEU 39 N -0.78 0.39 -2.62 2.25 3.38 -1.85 -2.97 115.31 113.10 1rg5 h LEU 39 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rg5 h LEU 39 Cb 0.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1rg5 h LEU 39 CO -0.08 0.31 0.00 1.23 0.09 0.00 0.00 178.44 179.98 1rg5 h GLY 40 N 0.50 0.00 2.00 0.83 0.00 -1.05 -0.47 103.07 104.89 1rg5 h GLY 40 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1rg5 h GLY 40 CO -0.02 0.00 -0.08 1.49 0.00 0.00 0.00 176.54 177.92 1rg5 h TRP 41 N 0.00 0.00 0.00 5.60 4.06 -1.45 -3.36 115.95 120.80 1rg5 h TRP 41 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1rg5 h TRP 41 Cb 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1rg5 h TRP 41 CO 0.00 0.08 -1.08 0.34 -3.56 0.00 0.00 178.44 174.22 1rg5 n PHE 42 N -3.31 0.00 -1.13 0.49 7.35 -0.46 -1.83 117.46 118.57 1rg5 n PHE 42 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1rg5 n PHE 42 Cb 0.28 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.05 1rg5 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rg5 n GLY 43 N 3.12 4.39 3.77 7.13 0.00 -0.31 -4.97 105.19 118.32 1rg5 n GLY 43 Ca -0.02 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 1rg5 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rg5 s ASN 44 N 1.55 6.13 0.15 1.61 0.01 -1.26 -3.94 114.94 119.19 1rg5 s ASN 44 Ca 0.00 2.27 0.23 0.00 -0.71 0.00 0.00 52.86 54.65 1rg5 s ASN 44 Cb 0.00 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1rg5 s ASN 44 CO 0.00 -0.94 0.97 0.00 -1.51 0.00 0.00 177.10 175.62 1rg5 n ALA 45 N -0.59 2.66 -2.56 0.60 0.00 -1.26 -4.15 120.51 115.21 1rg5 n ALA 45 Ca 0.08 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1rg5 n ALA 45 Cb 0.49 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 1rg5 n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1rg5 s GLN 46 N -3.37 4.47 -0.12 0.00 0.74 -1.26 -0.41 119.66 119.72 1rg5 s GLN 46 Ca -0.01 1.59 -0.04 0.00 0.05 0.00 0.00 55.36 56.96 1rg5 s GLN 46 Cb 0.11 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 1rg5 s GLN 46 CO 0.81 -0.21 0.03 -0.51 -0.55 0.00 0.00 175.29 174.85 1rg5 s LEU 47 N 1.27 3.70 0.12 3.68 1.43 -1.13 -4.97 118.68 122.78 1rg5 s LEU 47 Ca 0.55 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1rg5 s LEU 47 Cb -0.25 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1rg5 s LEU 47 CO 0.27 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.78 1rg5 n GLY 48 N 2.54 -1.80 3.87 -3.19 0.00 -1.26 -0.03 105.19 105.31 1rg5 n GLY 48 Ca -0.18 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1rg5 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rg5 s PRO 49 N -1.86 0.72 0.09 1.61 0.04 -1.26 -4.60 135.00 129.73 1rg5 s PRO 49 Ca 0.00 -0.19 0.07 0.00 0.04 0.00 0.00 61.00 60.93 1rg5 s PRO 49 Cb 0.00 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1rg5 s PRO 49 CO 0.00 -2.40 -0.20 -1.50 0.04 0.00 0.00 177.00 172.95 1rg5 s ILE 50 N -3.65 1.59 0.08 0.56 2.07 -1.26 -4.94 121.20 115.65 1rg5 s ILE 50 Ca 0.70 -1.43 -0.19 0.00 -1.41 0.00 0.00 60.65 58.32 1rg5 s ILE 50 Cb -0.07 -1.45 -0.07 0.00 0.13 0.00 0.00 42.46 41.01 1rg5 s ILE 50 CO 0.53 -0.04 0.56 -0.47 -1.91 0.00 0.00 174.94 173.61 1rg5 s TYR 51 N -1.11 3.78 -0.32 3.50 6.14 -1.26 -0.67 117.35 127.40 1rg5 s TYR 51 Ca 0.05 1.24 0.02 0.00 0.64 0.00 0.00 57.07 59.02 1rg5 s TYR 51 Cb -0.10 -2.48 0.15 0.00 0.42 0.00 0.00 41.96 39.96 1rg5 s TYR 51 CO 0.03 0.57 0.39 -1.17 0.64 0.00 0.00 175.55 176.01 1rg5 s LEU 52 N -1.24 -0.47 0.00 6.97 2.96 -0.34 -4.97 118.68 121.59 1rg5 s LEU 52 Ca 0.30 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 1rg5 s LEU 52 Cb -0.19 0.85 0.00 0.00 0.50 0.00 0.00 46.19 47.35 1rg5 s LEU 52 CO 0.19 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 1rg5 n GLY 53 N 4.93 2.89 0.22 7.98 0.00 -1.26 -4.87 105.19 115.08 1rg5 n GLY 53 Ca 0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 1rg5 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rg5 h SER 54 N 0.00 0.32 0.75 1.61 0.02 -2.00 -2.50 113.55 111.75 1rg5 h SER 54 Ca 0.00 -0.11 -0.25 0.00 -0.84 0.00 0.00 61.79 60.59 1rg5 h SER 54 Cb 0.00 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1rg5 h SER 54 CO 0.00 0.60 -1.32 0.25 -1.14 0.00 0.00 176.83 175.22 1rg5 h LEU 55 N 0.28 0.03 -0.23 5.07 5.85 -1.95 -2.42 115.31 121.95 1rg5 h LEU 55 Ca 0.04 -0.05 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1rg5 h LEU 55 Cb 0.65 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.67 1rg5 h LEU 55 CO 0.05 1.04 -0.66 1.23 -0.34 0.00 0.00 178.44 179.76 1rg5 h GLY 56 N 3.08 0.93 0.95 3.75 0.00 -1.87 -1.89 103.07 108.02 1rg5 h GLY 56 Ca -0.14 -1.19 -0.02 0.00 0.00 0.00 0.00 47.33 45.98 1rg5 h GLY 56 CO 0.11 1.06 0.17 -2.08 0.00 0.00 0.00 176.54 175.81 1rg5 h VAL 57 N 0.61 1.20 -0.16 4.60 2.07 -1.47 -1.55 116.25 121.55 1rg5 h VAL 57 Ca -0.02 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1rg5 h VAL 57 Cb 1.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1rg5 h VAL 57 CO 0.14 0.22 0.06 0.25 0.02 0.00 0.00 177.57 178.26 1rg5 h LEU 58 N 0.54 0.07 -0.19 2.57 5.85 -1.44 -0.11 115.31 122.60 1rg5 h LEU 58 Ca 0.14 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1rg5 h LEU 58 Cb 0.18 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1rg5 h LEU 58 CO -0.01 0.06 0.02 -1.28 -0.34 0.00 0.00 178.44 176.89 1rg5 h SER 59 N 0.14 -0.02 -0.17 1.25 0.87 -1.22 -1.40 113.55 113.00 1rg5 h SER 59 Ca 0.07 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1rg5 h SER 59 Cb 0.04 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1rg5 h SER 59 CO -0.07 0.02 0.10 -0.07 -0.53 0.00 0.00 176.83 176.28 1rg5 h LEU 60 N 0.09 0.20 -0.25 2.23 3.38 -1.14 0.08 115.31 119.91 1rg5 h LEU 60 Ca 0.09 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1rg5 h LEU 60 Cb 0.09 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1rg5 h LEU 60 CO -0.13 0.20 0.00 0.15 0.09 0.00 0.00 178.44 178.75 1rg5 h PHE 61 N 0.19 -0.01 -0.04 1.13 3.57 -0.84 -2.01 116.94 118.93 1rg5 h PHE 61 Ca 0.06 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 1rg5 h PHE 61 Cb 0.04 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1rg5 h PHE 61 CO -0.05 -0.04 -0.71 0.66 -2.23 0.00 0.00 178.31 175.95 1rg5 h SER 62 N 0.08 0.23 -0.66 0.41 4.64 -1.17 -2.32 113.55 114.76 1rg5 h SER 62 Ca 0.12 -0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.36 1rg5 h SER 62 Cb 0.15 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 1rg5 h SER 62 CO -0.20 0.86 0.34 1.23 -0.87 0.00 0.00 176.83 178.19 1rg5 h GLY 63 N 1.67 0.98 1.56 -0.77 0.00 -0.79 -1.61 103.07 104.11 1rg5 h GLY 63 Ca -0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1rg5 h GLY 63 CO 0.11 0.09 -0.41 1.41 0.00 0.00 0.00 176.54 177.74 1rg5 h LEU 64 N 0.61 0.52 -1.06 3.11 3.38 -1.25 -2.83 115.31 117.78 1rg5 h LEU 64 Ca 0.31 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1rg5 h LEU 64 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1rg5 h LEU 64 CO -0.23 0.87 -0.04 0.24 0.09 0.00 0.00 178.44 179.37 1rg5 h MET 65 N 0.40 0.61 -0.04 1.13 2.86 -0.98 -0.79 114.93 118.12 1rg5 h MET 65 Ca 0.03 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1rg5 h MET 65 Cb 0.90 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1rg5 h MET 65 CO 0.08 0.67 0.01 2.35 1.06 0.00 0.00 176.91 181.07 1rg5 h TRP 66 N 0.58 0.06 -0.14 -0.22 7.01 -1.26 -1.03 115.95 120.95 1rg5 h TRP 66 Ca 0.11 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1rg5 h TRP 66 Cb 0.43 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.43 1rg5 h TRP 66 CO 0.02 0.25 -0.14 0.35 -2.79 0.00 0.00 178.44 176.13 1rg5 h PHE 67 N -0.14 -0.35 0.00 2.65 3.57 -1.43 -2.50 116.94 118.75 1rg5 h PHE 67 Ca 0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1rg5 h PHE 67 Cb 0.22 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1rg5 h PHE 67 CO -0.00 -0.20 -0.41 0.35 -2.23 0.00 0.00 178.31 175.82 1rg5 h PHE 68 N -0.16 0.00 -0.21 0.41 3.57 -1.14 -0.54 116.94 118.87 1rg5 h PHE 68 Ca 0.09 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1rg5 h PHE 68 Cb 0.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1rg5 h PHE 68 CO -0.26 0.41 0.05 1.15 -2.23 0.00 0.00 178.31 177.42 1rg5 h THR 69 N 0.00 1.21 -0.41 4.41 2.02 -1.04 -1.48 112.91 117.62 1rg5 h THR 69 Ca -0.00 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1rg5 h THR 69 Cb 0.85 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1rg5 h THR 69 CO 0.05 0.21 0.23 0.40 0.37 0.00 0.00 175.52 176.78 1rg5 h ILE 70 N 0.15 1.15 -0.35 3.11 2.04 -1.30 -3.13 117.51 119.19 1rg5 h ILE 70 Ca 0.07 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1rg5 h ILE 70 Cb 0.28 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1rg5 h ILE 70 CO 0.00 0.16 0.21 1.23 0.00 0.00 0.00 178.15 179.75 1rg5 h GLY 71 N 0.54 0.50 1.74 5.37 0.00 -0.95 -1.70 103.07 108.57 1rg5 h GLY 71 Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1rg5 h GLY 71 CO -0.02 0.20 -0.12 0.16 0.00 0.00 0.00 176.54 176.76 1rg5 h ILE 72 N 0.45 1.19 -0.22 2.60 3.07 -1.35 -1.95 117.51 121.31 1rg5 h ILE 72 Ca 0.12 -0.84 -0.02 0.00 1.55 0.00 0.00 64.86 65.67 1rg5 h ILE 72 Cb -0.00 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 37.72 1rg5 h ILE 72 CO -0.02 0.27 0.05 -0.25 -1.05 0.00 0.00 178.15 177.14 1rg5 h TRP 73 N 0.30 0.38 -0.40 0.16 2.91 -1.37 -1.77 115.95 116.16 1rg5 h TRP 73 Ca 0.06 -0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.10 1rg5 h TRP 73 Cb 0.40 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.88 1rg5 h TRP 73 CO 0.01 0.47 0.04 0.74 -1.03 0.00 0.00 178.44 178.67 1rg5 h PHE 74 N 0.18 0.06 -0.64 2.65 -1.00 -1.11 -1.19 116.94 115.88 1rg5 h PHE 74 Ca 0.07 0.03 0.08 0.00 2.81 0.00 0.00 57.97 60.96 1rg5 h PHE 74 Cb 0.29 0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.81 1rg5 h PHE 74 CO 0.01 -0.03 0.31 -1.49 -1.61 0.00 0.00 178.31 175.50 1rg5 h TRP 75 N 0.16 0.55 -0.28 -0.55 4.06 -1.22 -0.83 115.95 117.84 1rg5 h TRP 75 Ca 0.19 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.12 1rg5 h TRP 75 Cb 0.26 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 1rg5 h TRP 75 CO -0.23 0.21 -0.06 -0.92 -3.56 0.00 0.00 178.44 173.87 1rg5 h TYR 76 N 0.55 0.47 -0.07 0.49 3.20 -0.91 -1.48 116.97 119.22 1rg5 h TYR 76 Ca 0.31 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 62.01 1rg5 h TYR 76 Cb 0.31 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1rg5 h TYR 76 CO -0.12 0.52 -0.49 1.96 -1.64 0.00 0.00 178.16 178.39 1rg5 h GLN 77 N 0.43 0.18 0.00 1.82 4.20 -0.51 -2.91 115.11 118.31 1rg5 h GLN 77 Ca 0.09 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1rg5 h GLN 77 Cb 0.39 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1rg5 h GLN 77 CO 0.02 0.63 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 1rg5 n ALA 78 N -2.46 2.47 -2.30 3.87 0.00 -0.38 -4.91 120.51 116.80 1rg5 n ALA 78 Ca -0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1rg5 n ALA 78 Cb 0.53 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1rg5 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rg5 n GLY 79 N 0.59 -0.19 3.08 0.00 0.00 -1.07 -2.22 105.19 105.38 1rg5 n GLY 79 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1rg5 n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rg5 n TRP 80 N -3.73 0.00 -3.15 1.61 7.02 -0.60 -4.99 117.44 113.60 1rg5 n TRP 80 Ca -0.23 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.84 1rg5 n TRP 80 Cb 0.68 -1.12 -0.07 0.00 -2.42 0.00 0.00 31.31 28.38 1rg5 n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1rg5 s ASN 81 N -2.17 6.48 0.56 -0.99 3.84 -0.94 -4.96 114.94 116.76 1rg5 s ASN 81 Ca 0.00 0.45 0.35 0.00 0.21 0.00 0.00 52.86 53.87 1rg5 s ASN 81 Cb 0.00 -2.32 1.53 0.00 -0.55 0.00 0.00 41.25 39.91 1rg5 s ASN 81 CO 0.00 -0.42 2.04 1.55 -2.79 0.00 0.00 177.10 177.47 1rg5 h PRO 82 N 8.13 0.00 0.23 0.43 0.13 -1.94 -1.60 132.00 137.38 1rg5 h PRO 82 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1rg5 h PRO 82 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1rg5 h PRO 82 CO 0.78 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.44 1rg5 h ALA 83 N 2.01 -0.31 -0.95 -0.56 0.00 -1.95 -2.87 119.26 114.63 1rg5 h ALA 83 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1rg5 h ALA 83 Cb 0.42 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1rg5 h ALA 83 CO 0.00 -0.45 0.61 0.28 0.00 0.00 0.00 179.25 179.68 1rg5 h VAL 84 N -0.75 0.93 -0.50 0.00 2.07 -1.84 -1.35 116.25 114.79 1rg5 h VAL 84 Ca -0.03 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1rg5 h VAL 84 Cb 0.50 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1rg5 h VAL 84 CO 0.05 0.17 0.31 0.15 0.02 0.00 0.00 177.57 178.27 1rg5 h PHE 85 N 0.91 0.58 0.04 1.57 3.57 -1.28 -0.50 116.94 121.84 1rg5 h PHE 85 Ca 0.46 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.75 1rg5 h PHE 85 Cb 0.50 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1rg5 h PHE 85 CO -0.00 0.34 -1.01 -0.07 -2.23 0.00 0.00 178.31 175.34 1rg5 h LEU 86 N 0.62 0.28 0.01 0.59 3.38 -1.27 -2.85 115.31 116.08 1rg5 h LEU 86 Ca 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rg5 h LEU 86 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1rg5 h LEU 86 CO -0.08 1.12 -0.00 -0.09 0.09 0.00 0.00 178.44 179.48 1rg5 h ARG 87 N 0.09 -0.01 -0.66 1.13 2.43 -0.95 -3.29 114.38 113.13 1rg5 h ARG 87 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1rg5 h ARG 87 Cb 1.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 1rg5 h ARG 87 CO 0.16 0.17 0.00 -0.25 -1.51 0.00 0.00 179.97 178.53 1rg5 n ASP 88 N -5.01 4.96 -0.29 -3.80 8.00 -0.22 -4.72 116.55 115.46 1rg5 n ASP 88 Ca -0.08 -2.50 0.10 0.00 0.71 0.00 0.00 54.79 53.02 1rg5 n ASP 88 Cb 0.11 -0.60 0.25 0.00 -0.02 0.00 0.00 41.12 40.86 1rg5 n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1rg5 h LEU 89 N 4.18 0.28 -0.08 0.64 5.85 -1.58 -0.41 115.31 124.19 1rg5 h LEU 89 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1rg5 h LEU 89 Cb 1.54 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1rg5 h LEU 89 CO 0.27 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.89 1rg5 n PHE 90 N -5.04 0.44 0.24 1.25 3.01 -1.26 -3.56 117.46 112.54 1rg5 n PHE 90 Ca 0.19 0.14 0.10 0.00 1.01 0.00 0.00 57.45 58.89 1rg5 n PHE 90 Cb 0.55 -0.72 -0.15 0.00 -0.01 0.00 0.00 39.48 39.15 1rg5 n PHE 90 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1rg5 n PHE 91 N -1.87 0.00 -1.70 1.38 3.72 -0.19 -1.76 117.46 117.04 1rg5 n PHE 91 Ca 0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.13 1rg5 n PHE 91 Cb 0.34 -0.35 0.05 0.00 -0.94 0.00 0.00 39.48 38.58 1rg5 n PHE 91 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1rg5 s PHE 92 N -3.31 2.60 -0.26 1.38 0.08 -1.06 -4.88 117.98 112.53 1rg5 s PHE 92 Ca -0.04 1.55 -0.13 0.00 0.12 0.00 0.00 56.93 58.44 1rg5 s PHE 92 Cb 0.14 -3.17 0.09 0.00 -0.57 0.00 0.00 43.02 39.51 1rg5 s PHE 92 CO 0.86 -1.73 0.62 0.45 -0.10 0.00 0.00 175.22 175.32 1rg5 s SER 93 N -2.64 -0.87 -0.40 1.36 0.15 -1.26 -4.32 113.70 105.72 1rg5 s SER 93 Ca 0.67 1.39 -0.19 0.00 0.70 0.00 0.00 55.95 58.52 1rg5 s SER 93 Cb -0.20 1.49 0.01 0.00 -1.71 0.00 0.00 66.02 65.61 1rg5 s SER 93 CO 0.43 -0.23 0.56 -0.22 1.20 0.00 0.00 173.24 174.99 1rg5 s LEU 94 N 1.95 4.49 0.05 3.45 2.96 -0.08 -4.96 118.68 126.54 1rg5 s LEU 94 Ca -0.08 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1rg5 s LEU 94 Cb -0.08 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1rg5 s LEU 94 CO -0.18 -0.63 0.16 -1.61 -1.32 0.00 0.00 176.35 172.76 1rg5 s GLU 95 N 2.55 3.25 1.04 1.98 0.41 -1.26 -0.98 118.70 125.70 1rg5 s GLU 95 Ca 0.20 -0.49 -0.14 0.00 -0.41 0.00 0.00 54.97 54.12 1rg5 s GLU 95 Cb -0.15 -2.95 0.21 0.00 -1.78 0.00 0.00 34.13 29.46 1rg5 s GLU 95 CO 0.16 0.61 1.11 -1.25 -0.49 0.00 0.00 175.26 175.40 1rg5 s PRO 96 N -2.31 0.13 0.80 0.39 0.04 -1.26 -4.39 135.00 128.39 1rg5 s PRO 96 Ca 0.31 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 1rg5 s PRO 96 Cb -0.13 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.77 1rg5 s PRO 96 CO 0.24 -2.89 1.11 -2.14 0.04 0.00 0.00 177.00 173.36 1rg5 s PRO 97 N -5.14 2.01 0.69 0.56 0.02 -1.26 -4.62 135.00 127.25 1rg5 s PRO 97 Ca 0.67 1.29 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 1rg5 s PRO 97 Cb -0.16 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.51 1rg5 s PRO 97 CO 0.56 -1.85 1.06 0.00 -0.33 0.00 0.00 177.00 176.45 1rg5 s ALA 98 N -2.77 2.63 0.42 -1.55 0.00 -1.26 -3.40 121.76 115.83 1rg5 s ALA 98 Ca 0.63 0.17 0.18 0.00 0.00 0.00 0.00 51.96 52.95 1rg5 s ALA 98 Cb -0.19 -3.20 1.10 0.00 0.00 0.00 0.00 23.12 20.83 1rg5 s ALA 98 CO 0.55 -1.22 1.84 -1.35 0.00 0.00 0.00 175.76 175.59 1rg5 h PRO 99 N -0.55 0.38 -1.00 0.00 0.11 -1.94 -1.88 132.00 127.13 1rg5 h PRO 99 Ca -0.44 -0.02 0.38 0.00 0.11 0.00 0.00 66.00 66.03 1rg5 h PRO 99 Cb 1.22 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 1rg5 h PRO 99 CO 0.56 0.25 0.48 0.93 -0.21 0.00 0.00 178.00 180.02 1rg5 h GLU 100 N 0.39 0.06 -0.01 1.05 3.07 -2.01 -0.95 114.58 116.20 1rg5 h GLU 100 Ca 0.49 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1rg5 h GLU 100 Cb 1.24 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1rg5 h GLU 100 CO -0.19 0.04 -0.27 0.66 -1.40 0.00 0.00 179.01 177.85 1rg5 n TYR 101 N -5.25 0.00 0.00 4.33 4.01 -0.71 -5.01 117.16 114.54 1rg5 n TYR 101 Ca 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 1rg5 n TYR 101 Cb 1.16 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1rg5 n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rg5 n GLY 102 N 1.34 3.26 1.18 2.72 0.00 -0.36 -1.49 105.19 111.84 1rg5 n GLY 102 Ca 0.12 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1rg5 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rg5 n LEU 103 N 0.00 3.52 -4.79 0.99 4.77 -1.24 -2.08 117.00 118.16 1rg5 n LEU 103 Ca 0.00 -1.55 -0.32 0.00 -0.03 0.00 0.00 56.01 54.11 1rg5 n LEU 103 Cb 0.00 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1rg5 n LEU 103 CO 0.00 0.77 0.72 -0.94 -1.33 0.00 0.00 177.39 176.61 1rg5 s SER 104 N -1.43 5.37 -0.28 -1.43 1.04 -0.56 -4.95 113.70 111.46 1rg5 s SER 104 Ca 0.40 1.84 0.06 0.00 0.48 0.00 0.00 55.95 58.73 1rg5 s SER 104 Cb 0.23 -2.53 0.55 0.00 0.10 0.00 0.00 66.02 64.37 1rg5 s SER 104 CO 0.32 -1.45 1.60 0.49 0.98 0.00 0.00 173.24 175.18 1rg5 n PHE 105 N -2.50 2.05 1.32 5.02 3.72 -1.26 -4.59 117.46 121.23 1rg5 n PHE 105 Ca 0.09 -1.16 0.13 0.00 -0.05 0.00 0.00 57.45 56.46 1rg5 n PHE 105 Cb 0.53 -0.65 0.38 0.00 -0.94 0.00 0.00 39.48 38.80 1rg5 n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rg5 n ALA 106 N -0.30 2.73 -1.78 4.37 0.00 -1.26 -4.98 120.51 119.29 1rg5 n ALA 106 Ca 0.36 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 1rg5 n ALA 106 Cb 1.24 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 1rg5 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rg5 s ALA 107 N -2.14 2.80 0.72 0.00 0.00 -1.26 -5.02 121.76 116.86 1rg5 s ALA 107 Ca 0.32 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1rg5 s ALA 107 Cb 0.20 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1rg5 s ALA 107 CO 0.38 -0.58 1.09 -2.14 0.00 0.00 0.00 175.76 174.52 1rg5 s PRO 108 N -3.17 2.57 0.18 0.00 0.02 -1.26 -4.09 135.00 129.24 1rg5 s PRO 108 Ca 0.69 1.19 -0.14 0.00 0.02 0.00 0.00 61.00 62.76 1rg5 s PRO 108 Cb -0.22 -1.93 0.16 0.00 0.02 0.00 0.00 34.50 32.53 1rg5 s PRO 108 CO 0.25 -1.41 1.69 -0.07 -0.33 0.00 0.00 177.00 177.14 1rg5 h LEU 109 N -0.67 -0.19 -0.15 -5.54 3.38 -1.93 0.19 115.31 110.39 1rg5 h LEU 109 Ca -0.45 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1rg5 h LEU 109 Cb 1.23 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1rg5 h LEU 109 CO 0.53 -0.06 0.00 0.29 0.09 0.00 0.00 178.44 179.29 1rg5 n LYS 110 N -5.22 0.04 -2.60 1.13 5.02 -1.26 -2.64 118.16 112.63 1rg5 n LYS 110 Ca 0.04 0.28 -0.08 0.00 -2.02 0.00 0.00 58.31 56.53 1rg5 n LYS 110 Cb 0.25 -1.58 0.04 0.00 -0.02 0.00 0.00 35.03 33.71 1rg5 n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rg5 n GLU 111 N -1.67 2.20 0.00 1.97 1.02 -0.69 -4.93 120.64 118.55 1rg5 n GLU 111 Ca 0.03 -3.69 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 1rg5 n GLU 111 Cb 0.19 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1rg5 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rg5 n GLY 112 N -0.56 1.13 0.21 0.62 0.00 -1.11 -4.39 105.19 101.09 1rg5 n GLY 112 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1rg5 n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rg5 h GLY 113 N 0.00 0.71 1.39 -0.02 0.00 -0.69 -2.43 103.07 102.04 1rg5 h GLY 113 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1rg5 h GLY 113 CO 0.00 0.13 -0.06 1.41 0.00 0.00 0.00 176.54 178.02 1rg5 h LEU 114 N 0.52 0.72 -0.96 3.11 3.38 -1.73 -2.46 115.31 117.89 1rg5 h LEU 114 Ca 0.22 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.11 1rg5 h LEU 114 Cb 0.11 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 1rg5 h LEU 114 CO -0.14 0.82 0.59 -0.25 0.09 0.00 0.00 178.44 179.55 1rg5 h TRP 115 N 0.68 1.07 -0.22 1.13 7.01 -1.69 -1.32 115.95 122.62 1rg5 h TRP 115 Ca 0.13 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.02 1rg5 h TRP 115 Cb 0.51 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1rg5 h TRP 115 CO 0.02 0.44 -0.40 -0.07 -2.79 0.00 0.00 178.44 175.64 1rg5 h LEU 116 N 0.96 0.73 -0.35 0.65 3.38 -1.19 -1.47 115.31 118.02 1rg5 h LEU 116 Ca 0.47 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1rg5 h LEU 116 Cb 0.43 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1rg5 h LEU 116 CO -0.26 1.13 0.12 0.40 0.09 0.00 0.00 178.44 179.92 1rg5 h ILE 117 N 0.35 0.90 -0.76 1.22 2.04 -1.22 -0.70 117.51 119.34 1rg5 h ILE 117 Ca 0.01 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1rg5 h ILE 117 Cb 1.00 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1rg5 h ILE 117 CO 0.09 0.05 0.39 0.00 0.00 0.00 0.00 178.15 178.68 1rg5 h ALA 118 N 1.23 0.98 -0.52 1.87 0.00 -1.14 -2.59 119.26 119.08 1rg5 h ALA 118 Ca 0.16 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1rg5 h ALA 118 Cb 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1rg5 h ALA 118 CO -0.16 0.52 -0.13 0.77 0.00 0.00 0.00 179.25 180.25 1rg5 h SER 119 N 1.06 1.00 -0.43 0.00 0.02 -1.05 -1.83 113.55 112.32 1rg5 h SER 119 Ca 0.26 -0.33 0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1rg5 h SER 119 Cb 0.08 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.26 1rg5 h SER 119 CO -0.04 1.12 -0.17 0.15 -1.14 0.00 0.00 176.83 176.75 1rg5 h PHE 120 N 0.88 -0.40 -0.21 3.45 3.57 -0.89 -1.26 116.94 122.08 1rg5 h PHE 120 Ca 0.13 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1rg5 h PHE 120 Cb 0.69 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1rg5 h PHE 120 CO 0.04 -0.25 -0.34 0.74 -2.23 0.00 0.00 178.31 176.28 1rg5 h PHE 121 N -0.08 0.50 -0.27 0.41 0.04 -1.23 -2.36 116.94 113.95 1rg5 h PHE 121 Ca 0.21 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.78 1rg5 h PHE 121 Cb 0.40 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1rg5 h PHE 121 CO -0.43 0.72 -0.15 1.98 -0.60 0.00 0.00 178.31 179.84 1rg5 h MET 122 N 0.37 0.57 -0.33 1.51 4.05 -1.06 -1.96 114.93 118.08 1rg5 h MET 122 Ca 0.04 -0.26 0.07 0.00 -0.28 0.00 0.00 59.70 59.27 1rg5 h MET 122 Cb 0.77 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.50 1rg5 h MET 122 CO 0.06 0.83 -0.06 0.35 0.23 0.00 0.00 176.91 178.32 1rg5 h PHE 123 N 0.30 -0.13 -0.26 1.39 3.57 -1.03 -1.14 116.94 119.65 1rg5 h PHE 123 Ca 0.06 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.41 1rg5 h PHE 123 Cb 0.67 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1rg5 h PHE 123 CO 0.06 -0.12 -0.54 -0.39 -2.23 0.00 0.00 178.31 175.09 1rg5 h VAL 124 N 0.02 1.29 -0.62 1.41 -1.51 -1.41 -2.63 116.25 112.81 1rg5 h VAL 124 Ca 0.16 -1.74 0.08 0.00 -1.23 0.00 0.00 66.70 63.96 1rg5 h VAL 124 Cb 0.24 1.67 -0.06 0.00 -2.13 0.00 0.00 31.29 31.00 1rg5 h VAL 124 CO -0.33 0.56 0.28 0.00 -1.23 0.00 0.00 177.57 176.86 1rg5 h ALA 125 N 0.80 0.81 -0.06 5.19 0.00 -1.11 -2.00 119.26 122.90 1rg5 h ALA 125 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1rg5 h ALA 125 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rg5 h ALA 125 CO 0.11 -0.10 -0.16 0.28 0.00 0.00 0.00 179.25 179.38 1rg5 h VAL 126 N 0.51 1.44 -0.18 0.00 2.07 -1.19 -2.48 116.25 116.41 1rg5 h VAL 126 Ca 0.30 -1.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.18 1rg5 h VAL 126 Cb 0.29 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1rg5 h VAL 126 CO -0.25 0.43 -0.34 -0.50 0.02 0.00 0.00 177.57 176.93 1rg5 h TRP 127 N -0.31 0.44 -0.07 1.57 4.06 -1.44 -1.25 115.95 118.95 1rg5 h TRP 127 Ca -0.00 -0.11 -0.17 0.00 2.06 0.00 0.00 58.89 60.67 1rg5 h TRP 127 Cb 0.77 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 1rg5 h TRP 127 CO 0.12 0.67 -0.69 0.66 -3.56 0.00 0.00 178.44 175.65 1rg5 h SER 128 N 0.33 0.36 -0.52 -3.49 4.64 -1.44 -1.95 113.55 111.47 1rg5 h SER 128 Ca 0.04 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1rg5 h SER 128 Cb 0.75 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1rg5 h SER 128 CO 0.06 0.93 0.24 -0.25 -0.87 0.00 0.00 176.83 176.94 1rg5 h TRP 129 N 0.21 0.80 0.02 4.77 2.91 -1.06 -2.34 115.95 121.26 1rg5 h TRP 129 Ca -0.02 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.97 1rg5 h TRP 129 Cb 1.23 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1rg5 h TRP 129 CO 0.03 0.61 -0.01 2.35 -1.03 0.00 0.00 178.44 180.39 1rg5 h TRP 130 N 0.79 -0.03 -0.92 2.65 7.01 -0.98 -2.31 115.95 122.17 1rg5 h TRP 130 Ca 0.19 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.32 1rg5 h TRP 130 Cb 0.13 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.13 1rg5 h TRP 130 CO 0.01 0.15 0.59 0.78 -2.79 0.00 0.00 178.44 177.18 1rg5 h GLY 131 N -0.21 1.33 1.76 2.65 0.00 -1.21 -2.34 103.07 105.05 1rg5 h GLY 131 Ca -0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 1rg5 h GLY 131 CO 0.01 0.12 -0.55 -0.09 0.00 0.00 0.00 176.54 176.02 1rg5 h ARG 132 N 0.79 0.25 0.00 4.80 2.43 -1.18 -1.57 114.38 119.90 1rg5 h ARG 132 Ca 0.45 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1rg5 h ARG 132 Cb 0.61 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1rg5 h ARG 132 CO -0.22 0.74 -0.36 1.79 -1.51 0.00 0.00 179.97 180.41 1rg5 h THR 133 N 0.19 1.13 0.18 0.20 1.35 -0.88 -1.51 112.91 113.58 1rg5 h THR 133 Ca 0.00 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 1rg5 h THR 133 Cb 1.04 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1rg5 h THR 133 CO 0.09 0.35 -0.09 0.22 -0.25 0.00 0.00 175.52 175.84 1rg5 h TYR 134 N 0.00 -0.23 -0.52 4.73 5.03 -1.21 -3.25 116.97 121.53 1rg5 h TYR 134 Ca -0.00 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1rg5 h TYR 134 Cb 0.69 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.02 1rg5 h TYR 134 CO 0.00 0.18 0.09 -0.07 -1.32 0.00 0.00 178.16 177.04 1rg5 h LEU 135 N -0.76 0.77 -1.09 2.82 3.38 -1.23 -2.25 115.31 116.94 1rg5 h LEU 135 Ca -0.03 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1rg5 h LEU 135 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1rg5 h LEU 135 CO 0.04 0.77 -0.39 0.03 0.09 0.00 0.00 178.44 178.98 1rg5 h ARG 136 N 0.78 0.11 -0.33 1.13 2.47 -1.41 -1.81 114.38 115.33 1rg5 h ARG 136 Ca 0.17 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.71 1rg5 h ARG 136 Cb 0.34 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1rg5 h ARG 136 CO 0.00 0.49 -0.28 0.00 0.56 0.00 0.00 179.97 180.75 1rg5 h ALA 137 N 1.50 0.47 -0.56 0.04 0.00 -1.51 -3.27 119.26 115.93 1rg5 h ALA 137 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1rg5 h ALA 137 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1rg5 h ALA 137 CO 0.06 0.49 0.02 0.37 0.00 0.00 0.00 179.25 180.18 1rg5 h GLN 138 N 0.53 0.95 0.00 0.00 4.15 -1.16 -1.87 115.11 117.71 1rg5 h GLN 138 Ca 0.06 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1rg5 h GLN 138 Cb 0.85 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 1rg5 h GLN 138 CO 0.07 0.93 -0.08 0.00 -1.93 0.00 0.00 178.83 177.82 1rg5 h ALA 139 N 1.13 1.29 -0.26 3.38 0.00 -1.39 -2.28 119.26 121.13 1rg5 h ALA 139 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rg5 h ALA 139 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rg5 h ALA 139 CO 0.02 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1rg5 n LEU 140 N -3.60 3.22 -0.29 0.00 4.77 -1.01 -1.84 117.00 118.24 1rg5 n LEU 140 Ca -0.02 -1.35 -0.04 0.00 -0.03 0.00 0.00 56.01 54.58 1rg5 n LEU 140 Cb 0.19 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1rg5 n LEU 140 CO 0.28 0.65 -0.04 0.61 -1.33 0.00 0.00 177.39 177.57 1rg5 n GLY 141 N 1.37 0.67 3.93 -0.72 0.00 -0.86 -4.98 105.19 104.59 1rg5 n GLY 141 Ca 0.17 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 1rg5 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rg5 s MET 142 N -1.79 3.40 1.04 1.61 -1.94 -0.74 -5.02 119.30 115.86 1rg5 s MET 142 Ca 0.00 -0.09 -0.12 0.00 -1.71 0.00 0.00 55.69 53.77 1rg5 s MET 142 Cb 0.00 -2.48 0.21 0.00 2.01 0.00 0.00 34.83 34.57 1rg5 s MET 142 CO 0.00 -0.15 1.07 0.20 -0.01 0.00 0.00 175.02 176.13 1rg5 s GLY 143 N -4.12 1.57 -0.27 -0.03 0.00 -1.26 -4.46 107.32 98.75 1rg5 s GLY 143 Ca 0.46 -0.16 0.12 0.00 0.00 0.00 0.00 44.72 45.15 1rg5 s GLY 143 CO 0.41 0.46 1.71 0.28 0.00 0.00 0.00 173.10 175.97 1rg5 n LYS 144 N -4.43 3.92 -0.28 2.90 4.76 -1.26 -4.65 118.16 119.13 1rg5 n LYS 144 Ca 0.05 -3.09 -0.02 0.00 -2.87 0.00 0.00 58.31 52.39 1rg5 n LYS 144 Cb 0.55 -2.16 0.11 0.00 -1.84 0.00 0.00 35.03 31.69 1rg5 n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rg5 h HIS 145 N 2.91 0.91 -0.56 2.13 3.86 -1.98 -1.84 115.15 120.58 1rg5 h HIS 145 Ca 0.13 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1rg5 h HIS 145 Cb 2.05 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 30.20 1rg5 h HIS 145 CO 1.09 0.50 0.36 1.15 0.86 0.00 0.00 177.93 181.88 1rg5 h THR 146 N 0.93 1.15 -0.57 2.45 2.02 -1.94 -1.12 112.91 115.84 1rg5 h THR 146 Ca 0.32 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 1rg5 h THR 146 Cb 0.07 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1rg5 h THR 146 CO -0.14 0.15 -0.07 0.00 0.37 0.00 0.00 175.52 175.84 1rg5 h ALA 147 N 1.19 0.79 -0.52 6.16 0.00 -1.65 -1.38 119.26 123.85 1rg5 h ALA 147 Ca 0.20 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1rg5 h ALA 147 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1rg5 h ALA 147 CO -0.04 0.68 -0.03 -1.49 0.00 0.00 0.00 179.25 178.37 1rg5 h TRP 148 N 0.95 1.02 -0.55 0.00 -0.00 -1.19 -2.14 115.95 114.04 1rg5 h TRP 148 Ca 0.15 -0.19 -0.07 0.00 -0.00 0.00 0.00 58.89 58.78 1rg5 h TRP 148 Cb 0.64 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.51 1rg5 h TRP 148 CO 0.04 0.95 0.05 0.00 -0.00 0.00 0.00 178.44 179.48 1rg5 h ALA 149 N 0.93 1.06 -0.30 1.49 0.00 -1.08 -2.83 119.26 118.53 1rg5 h ALA 149 Ca 0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1rg5 h ALA 149 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rg5 h ALA 149 CO 0.03 0.60 -0.11 0.35 0.00 0.00 0.00 179.25 180.12 1rg5 h PHE 150 N 0.84 0.54 -0.72 0.00 3.57 -1.17 -2.29 116.94 117.71 1rg5 h PHE 150 Ca 0.17 -0.08 0.12 0.00 3.53 0.00 0.00 57.97 61.71 1rg5 h PHE 150 Cb 0.43 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1rg5 h PHE 150 CO 0.03 0.60 0.48 1.25 -2.23 0.00 0.00 178.31 178.44 1rg5 h LEU 151 N 0.47 0.45 -1.07 0.59 5.85 -1.12 -1.44 115.31 119.04 1rg5 h LEU 151 Ca 0.09 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1rg5 h LEU 151 Cb 0.47 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1rg5 h LEU 151 CO 0.03 0.25 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.04 1rg5 h SER 152 N 0.49 0.57 -0.22 1.25 0.87 -1.41 -1.38 113.55 113.71 1rg5 h SER 152 Ca 0.34 -0.14 -0.20 0.00 -1.23 0.00 0.00 61.79 60.57 1rg5 h SER 152 Cb 0.66 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1rg5 h SER 152 CO -0.11 0.68 -0.62 0.00 -0.53 0.00 0.00 176.83 176.24 1rg5 h ALA 153 N 1.38 0.43 -0.32 6.23 0.00 -1.33 -3.20 119.26 122.45 1rg5 h ALA 153 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rg5 h ALA 153 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rg5 h ALA 153 CO 0.02 0.68 0.21 0.82 0.00 0.00 0.00 179.25 180.99 1rg5 h ILE 154 N 0.62 1.09 0.01 0.00 2.04 -1.09 -2.95 117.51 117.22 1rg5 h ILE 154 Ca -0.01 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1rg5 h ILE 154 Cb 1.24 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1rg5 h ILE 154 CO 0.13 0.08 -0.05 -0.25 0.00 0.00 0.00 178.15 178.07 1rg5 h TRP 155 N 0.44 -0.12 -0.32 1.37 2.91 -1.25 -0.50 115.95 118.48 1rg5 h TRP 155 Ca 0.12 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 1rg5 h TRP 155 Cb -0.04 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1rg5 h TRP 155 CO 0.00 -0.08 0.17 1.25 -1.03 0.00 0.00 178.44 178.75 1rg5 h LEU 156 N -0.09 0.41 -0.57 0.65 5.85 -1.61 -1.15 115.31 118.80 1rg5 h LEU 156 Ca 0.02 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1rg5 h LEU 156 Cb 0.11 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1rg5 h LEU 156 CO -0.05 0.40 0.32 -0.25 -0.34 0.00 0.00 178.44 178.52 1rg5 h TRP 157 N 0.39 0.58 -0.66 1.25 7.01 -1.50 -1.85 115.95 121.17 1rg5 h TRP 157 Ca 0.11 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1rg5 h TRP 157 Cb 0.09 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 1rg5 h TRP 157 CO -0.02 0.30 0.41 0.52 -2.79 0.00 0.00 178.44 176.86 1rg5 h MET 158 N 0.61 0.89 -0.23 2.65 2.86 -0.83 -2.10 114.93 118.78 1rg5 h MET 158 Ca 0.25 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1rg5 h MET 158 Cb 0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1rg5 h MET 158 CO -0.15 0.62 0.06 0.28 1.06 0.00 0.00 176.91 178.79 1rg5 h VAL 159 N 0.90 1.20 -0.67 -2.22 2.07 -1.05 -0.60 116.25 115.88 1rg5 h VAL 159 Ca 0.24 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1rg5 h VAL 159 Cb -0.05 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1rg5 h VAL 159 CO -0.05 0.21 0.23 -0.07 0.02 0.00 0.00 177.57 177.91 1rg5 h LEU 160 N 0.20 0.96 0.00 2.57 3.38 -1.19 -2.29 115.31 118.95 1rg5 h LEU 160 Ca 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1rg5 h LEU 160 Cb 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1rg5 h LEU 160 CO -0.00 0.90 -1.82 0.61 0.09 0.00 0.00 178.44 178.22 1rg5 n GLY 161 N -0.77 -0.87 1.52 0.83 0.00 -0.80 -4.38 105.19 100.72 1rg5 n GLY 161 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1rg5 n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rg5 n PHE 162 N -2.12 -1.13 0.08 1.61 3.01 -0.51 -4.81 117.46 113.59 1rg5 n PHE 162 Ca -0.03 0.20 -0.13 0.00 1.01 0.00 0.00 57.45 58.50 1rg5 n PHE 162 Cb 0.49 0.29 -0.08 0.00 -0.01 0.00 0.00 39.48 40.17 1rg5 n PHE 162 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1rg5 h ILE 163 N 0.00 0.98 -0.19 4.37 2.04 -1.27 -1.92 117.51 121.53 1rg5 h ILE 163 Ca 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1rg5 h ILE 163 Cb 0.00 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1rg5 h ILE 163 CO 0.00 0.14 0.12 -0.09 0.00 0.00 0.00 178.15 178.32 1rg5 h ARG 164 N -0.48 0.25 -0.83 2.37 2.43 -1.64 -2.02 114.38 114.46 1rg5 h ARG 164 Ca -0.02 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1rg5 h ARG 164 Cb 0.38 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.78 1rg5 h ARG 164 CO 0.03 0.17 0.43 -1.35 -1.51 0.00 0.00 179.97 177.75 1rg5 h PRO 165 N 0.25 0.63 0.29 0.20 0.11 -1.77 -1.19 132.00 130.52 1rg5 h PRO 165 Ca 0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1rg5 h PRO 165 Cb -0.02 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1rg5 h PRO 165 CO -0.01 0.42 -0.22 0.82 -0.21 0.00 0.00 178.00 178.79 1rg5 h ILE 166 N 0.65 0.54 0.00 4.15 1.08 -0.98 -2.25 117.51 120.69 1rg5 h ILE 166 Ca 0.44 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.89 1rg5 h ILE 166 Cb 0.57 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1rg5 h ILE 166 CO -0.33 0.00 -0.09 -0.07 -0.69 0.00 0.00 178.15 176.97 1rg5 h LEU 167 N -0.51 0.00 0.00 1.44 3.38 -1.25 -1.41 115.31 116.97 1rg5 h LEU 167 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rg5 h LEU 167 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1rg5 h LEU 167 CO -0.01 0.09 -0.02 0.23 0.09 0.00 0.00 178.44 178.82 1rg5 n MET 168 N -4.40 0.12 -0.85 1.13 2.81 -0.46 -4.97 117.12 110.50 1rg5 n MET 168 Ca -0.03 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1rg5 n MET 168 Cb 0.17 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 1rg5 n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rg5 n GLY 169 N 1.41 0.56 3.50 3.03 0.00 -0.53 -5.06 105.19 108.11 1rg5 n GLY 169 Ca 0.06 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 1rg5 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rg5 s SER 170 N -2.09 -0.62 0.49 1.61 1.04 -1.01 -3.71 113.70 109.42 1rg5 s SER 170 Ca 0.00 0.69 0.33 0.00 0.48 0.00 0.00 55.95 57.45 1rg5 s SER 170 Cb 0.00 0.55 1.44 0.00 0.10 0.00 0.00 66.02 68.11 1rg5 s SER 170 CO 0.00 -0.58 1.97 -0.50 0.98 0.00 0.00 173.24 175.10 1rg5 h TRP 171 N 3.15 0.00 0.00 5.02 -0.00 -1.67 -3.06 115.95 119.39 1rg5 h TRP 171 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.62 1rg5 h TRP 171 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.30 1rg5 h TRP 171 CO 0.39 0.00 0.00 -1.13 -0.00 0.00 0.00 178.44 177.70 1rg5 n SER 172 N -2.85 0.23 -0.14 -3.49 3.41 -1.22 -2.07 113.62 107.49 1rg5 n SER 172 Ca 0.00 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 1rg5 n SER 172 Cb 0.24 -0.61 0.61 0.00 -0.26 0.00 0.00 64.21 64.19 1rg5 n SER 172 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rg5 n GLU 173 N -1.77 0.79 -2.51 4.33 -0.58 -1.16 -4.92 120.64 114.82 1rg5 n GLU 173 Ca 0.02 -0.29 -0.24 0.00 -0.42 0.00 0.00 57.16 56.24 1rg5 n GLU 173 Cb 0.14 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.62 1rg5 n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rg5 s ALA 174 N -2.41 3.58 -0.04 0.62 0.00 -0.88 -4.82 121.76 117.80 1rg5 s ALA 174 Ca 0.31 -1.56 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 1rg5 s ALA 174 Cb 0.20 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 1rg5 s ALA 174 CO 0.46 -1.41 0.46 0.08 0.00 0.00 0.00 175.76 175.35 1rg5 s VAL 175 N -3.15 5.06 0.68 0.00 1.01 -1.26 -4.88 120.40 117.87 1rg5 s VAL 175 Ca 0.65 0.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.46 1rg5 s VAL 175 Cb -0.06 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1rg5 s VAL 175 CO 0.44 0.46 1.06 -2.16 0.00 0.00 0.00 175.10 174.90 1rg5 s PRO 176 N -0.29 3.00 -0.44 2.72 0.04 -1.26 -4.84 135.00 133.92 1rg5 s PRO 176 Ca 0.25 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 1rg5 s PRO 176 Cb -0.16 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1rg5 s PRO 176 CO 0.13 -1.05 0.48 0.71 0.04 0.00 0.00 177.00 177.30 1rg5 s TYR 177 N -2.97 3.15 0.00 0.56 2.02 -0.15 -4.61 117.35 115.35 1rg5 s TYR 177 Ca 0.59 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1rg5 s TYR 177 Cb -0.14 -3.07 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1rg5 s TYR 177 CO 0.53 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 1rg5 n GLY 178 N 5.13 1.02 0.15 0.71 0.00 -1.26 -0.90 105.19 110.03 1rg5 n GLY 178 Ca -0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 1rg5 n GLY 178 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1rg5 h ILE 179 N 0.13 0.34 -0.06 -0.61 2.04 -1.75 -3.12 117.51 114.48 1rg5 h ILE 179 Ca 0.00 -0.98 -0.22 0.00 1.00 0.00 0.00 64.86 64.66 1rg5 h ILE 179 Cb 0.00 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1rg5 h ILE 179 CO 0.00 0.10 -0.85 -0.26 0.00 0.00 0.00 178.15 177.14 1rg5 h PHE 180 N -1.02 0.77 -0.48 1.37 0.04 -1.66 -3.32 116.94 112.65 1rg5 h PHE 180 Ca -0.03 -0.38 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 1rg5 h PHE 180 Cb 0.36 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1rg5 h PHE 180 CO 0.04 1.18 0.29 0.66 -0.60 0.00 0.00 178.31 179.88 1rg5 h SER 181 N 0.35 0.56 1.30 2.17 4.64 -1.79 -1.88 113.55 118.90 1rg5 h SER 181 Ca -0.07 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1rg5 h SER 181 Cb 1.47 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1rg5 h SER 181 CO 0.16 0.43 -0.26 1.12 -0.87 0.00 0.00 176.83 177.41 1rg5 h HIS 182 N 0.66 0.00 -0.15 4.77 2.07 -1.64 -2.07 115.15 118.78 1rg5 h HIS 182 Ca 0.17 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.62 1rg5 h HIS 182 Cb -0.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.95 1rg5 h HIS 182 CO 0.00 0.26 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.84 1rg5 h LEU 183 N 0.00 0.45 -0.89 6.12 3.38 -1.49 -2.78 115.31 120.10 1rg5 h LEU 183 Ca -0.00 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.51 1rg5 h LEU 183 Cb 0.98 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1rg5 h LEU 183 CO 0.03 0.87 0.57 0.44 0.09 0.00 0.00 178.44 180.44 1rg5 h ASP 184 N 0.04 0.91 -0.41 -0.43 3.32 -1.20 -1.96 116.42 116.69 1rg5 h ASP 184 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1rg5 h ASP 184 Cb 0.77 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1rg5 h ASP 184 CO 0.05 0.60 0.27 -0.25 -1.72 0.00 0.00 179.24 178.18 1rg5 h TRP 185 N 1.06 0.52 -0.28 4.55 7.01 -1.43 0.32 115.95 127.69 1rg5 h TRP 185 Ca 0.37 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.39 1rg5 h TRP 185 Cb 0.11 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1rg5 h TRP 185 CO -0.02 0.33 0.18 1.15 -2.79 0.00 0.00 178.44 177.29 1rg5 h THR 186 N 0.55 1.08 -0.17 2.65 2.02 -1.15 0.43 112.91 118.32 1rg5 h THR 186 Ca 0.15 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1rg5 h THR 186 Cb -0.05 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1rg5 h THR 186 CO -0.03 0.08 0.06 -1.13 0.37 0.00 0.00 175.52 174.87 1rg5 h ASN 187 N 0.37 0.08 -0.68 4.18 -1.24 -1.25 -3.12 115.58 113.92 1rg5 h ASN 187 Ca 0.10 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 1rg5 h ASN 187 Cb -0.03 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 1rg5 h ASN 187 CO -0.02 0.07 0.37 -1.13 -1.29 0.00 0.00 177.43 175.43 1rg5 h ASN 188 N 0.15 0.85 -0.73 1.15 -0.73 -0.64 -2.77 115.58 112.85 1rg5 h ASN 188 Ca 0.07 -0.09 0.13 0.00 1.87 0.00 0.00 56.30 58.27 1rg5 h ASN 188 Cb 0.04 -0.22 -0.09 0.00 0.27 0.00 0.00 38.32 38.32 1rg5 h ASN 188 CO -0.07 0.70 0.30 0.15 -0.37 0.00 0.00 177.43 178.14 1rg5 h PHE 189 N 0.93 0.51 -0.22 0.67 3.04 -0.90 -1.44 116.94 119.52 1rg5 h PHE 189 Ca 0.24 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.20 1rg5 h PHE 189 Cb 0.04 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1rg5 h PHE 189 CO -0.01 0.09 0.03 1.03 -2.02 0.00 0.00 178.31 177.44 1rg5 h SER 190 N 0.46 0.36 -0.42 0.41 0.87 -1.45 -2.71 113.55 111.07 1rg5 h SER 190 Ca 0.39 -0.26 0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1rg5 h SER 190 Cb 0.55 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1rg5 h SER 190 CO -0.37 0.53 0.16 -0.07 -0.53 0.00 0.00 176.83 176.55 1rg5 h LEU 191 N 0.17 0.19 -1.25 2.23 3.38 -1.17 -1.17 115.31 117.70 1rg5 h LEU 191 Ca 0.07 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1rg5 h LEU 191 Cb 0.33 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rg5 h LEU 191 CO 0.00 0.15 -0.28 0.58 0.09 0.00 0.00 178.44 178.98 1rg5 h VAL 192 N 0.34 0.77 -0.52 1.22 2.07 -1.30 -3.05 116.25 115.79 1rg5 h VAL 192 Ca 0.19 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1rg5 h VAL 192 Cb 0.16 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1rg5 h VAL 192 CO -0.18 0.27 0.00 1.41 0.02 0.00 0.00 177.57 179.09 1rg5 n HIS 193 N -3.59 1.53 -1.40 1.57 8.25 -1.01 -4.87 115.22 115.70 1rg5 n HIS 193 Ca -0.01 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 1rg5 n HIS 193 Cb 0.41 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1rg5 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rg5 n GLY 194 N 0.53 0.48 0.83 -1.41 0.00 -1.06 -1.11 105.19 103.45 1rg5 n GLY 194 Ca 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1rg5 n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rg5 n ASN 195 N 1.82 -1.47 0.14 1.61 2.85 -0.47 -3.25 115.26 116.49 1rg5 n ASN 195 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1rg5 n ASN 195 Cb 0.24 -0.74 0.50 0.00 1.24 0.00 0.00 39.78 41.03 1rg5 n ASN 195 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1rg5 h LEU 196 N 0.00 0.00 -2.44 1.20 5.85 -1.86 -1.78 115.31 116.29 1rg5 h LEU 196 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1rg5 h LEU 196 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1rg5 h LEU 196 CO 0.00 0.00 0.03 -0.26 -0.34 0.00 0.00 178.44 177.87 1rg5 h PHE 197 N 0.00 0.00 -0.01 1.25 0.04 -1.96 -1.38 116.94 114.88 1rg5 h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rg5 h PHE 197 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1rg5 h PHE 197 CO 0.00 0.00 -0.21 0.66 -0.60 0.00 0.00 178.31 178.16 1rg5 n TYR 198 N -2.81 0.00 -2.49 -0.55 4.01 -0.67 -4.82 117.16 109.83 1rg5 n TYR 198 Ca -0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1rg5 n TYR 198 Cb 0.09 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1rg5 n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1rg5 s ASN 199 N -2.41 6.70 0.37 7.72 3.04 -0.52 -4.83 114.94 125.02 1rg5 s ASN 199 Ca 0.27 1.04 0.06 0.00 0.04 0.00 0.00 52.86 54.27 1rg5 s ASN 199 Cb 0.20 -2.54 0.72 0.00 -1.54 0.00 0.00 41.25 38.08 1rg5 s ASN 199 CO 0.49 -1.08 1.95 1.55 -3.04 0.00 0.00 177.10 176.96 1rg5 h PRO 200 N 9.11 0.52 -0.50 0.43 0.13 -1.87 -1.78 132.00 138.03 1rg5 h PRO 200 Ca -0.24 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1rg5 h PRO 200 Cb 1.08 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1rg5 h PRO 200 CO 1.05 0.46 0.21 0.74 -0.23 0.00 0.00 178.00 180.23 1rg5 h PHE 201 N 0.51 0.72 -0.51 1.56 0.04 -1.92 -2.24 116.94 115.10 1rg5 h PHE 201 Ca 0.12 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 1rg5 h PHE 201 Cb 0.17 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1rg5 h PHE 201 CO 0.01 0.55 0.19 1.25 -0.60 0.00 0.00 178.31 179.71 1rg5 h HIS 202 N 0.71 0.78 -0.74 -0.55 2.76 -1.63 -1.14 115.15 115.34 1rg5 h HIS 202 Ca 0.17 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1rg5 h HIS 202 Cb 0.13 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 1rg5 h HIS 202 CO 0.01 0.65 0.41 0.78 -1.30 0.00 0.00 177.93 178.48 1rg5 h GLY 203 N 0.68 1.10 0.70 5.26 0.00 -1.20 -1.98 103.07 107.64 1rg5 h GLY 203 Ca 0.17 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1rg5 h GLY 203 CO -0.01 0.47 -0.11 1.41 0.00 0.00 0.00 176.54 178.29 1rg5 h LEU 204 N 1.04 0.31 -0.72 3.11 4.07 -1.21 -1.87 115.31 120.02 1rg5 h LEU 204 Ca 0.26 -0.47 0.12 0.00 0.08 0.00 0.00 57.88 57.87 1rg5 h LEU 204 Cb 0.02 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 41.59 1rg5 h LEU 204 CO -0.04 0.72 0.32 -1.28 -1.08 0.00 0.00 178.44 177.07 1rg5 h SER 205 N -0.10 0.35 -0.67 -0.43 0.87 -1.09 -1.05 113.55 111.43 1rg5 h SER 205 Ca 0.02 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1rg5 h SER 205 Cb 0.63 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1rg5 h SER 205 CO 0.03 0.17 0.15 0.40 -0.53 0.00 0.00 176.83 177.05 1rg5 h ILE 206 N 0.51 1.26 -0.66 2.23 2.04 -1.23 -1.93 117.51 119.72 1rg5 h ILE 206 Ca 0.38 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1rg5 h ILE 206 Cb 0.50 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1rg5 h ILE 206 CO -0.34 0.37 0.38 0.00 0.00 0.00 0.00 178.15 178.57 1rg5 h ALA 207 N 1.12 0.87 0.00 1.87 0.00 -0.38 -0.68 119.26 122.06 1rg5 h ALA 207 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1rg5 h ALA 207 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1rg5 h ALA 207 CO 0.00 0.09 -0.58 0.74 0.00 0.00 0.00 179.25 179.50 1rg5 h PHE 208 N 0.73 0.00 -0.04 0.00 0.04 -1.13 -0.16 116.94 116.38 1rg5 h PHE 208 Ca 0.28 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.00 1rg5 h PHE 208 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1rg5 h PHE 208 CO -0.07 0.58 -0.19 1.25 -0.60 0.00 0.00 178.31 179.29 1rg5 h LEU 209 N 0.00 0.23 -0.42 1.54 5.85 -1.01 -0.98 115.31 120.51 1rg5 h LEU 209 Ca -0.01 -0.67 0.04 0.00 0.84 0.00 0.00 57.88 58.09 1rg5 h LEU 209 Cb 1.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1rg5 h LEU 209 CO 0.08 0.86 0.19 1.88 -0.34 0.00 0.00 178.44 181.11 1rg5 h TYR 210 N -0.39 0.35 0.00 1.25 0.05 -1.18 -2.86 116.97 114.20 1rg5 h TYR 210 Ca -0.01 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1rg5 h TYR 210 Cb 0.86 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.50 1rg5 h TYR 210 CO 0.15 0.17 -0.15 0.78 -1.05 0.00 0.00 178.16 178.05 1rg5 h GLY 211 N 0.39 0.00 1.29 3.88 0.00 -1.00 -1.57 103.07 106.06 1rg5 h GLY 211 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 1rg5 h GLY 211 CO -0.15 0.00 -0.19 1.76 0.00 0.00 0.00 176.54 177.96 1rg5 h SER 212 N 0.00 0.83 -0.24 0.19 0.02 -0.95 -0.47 113.55 112.94 1rg5 h SER 212 Ca -0.00 -0.29 -0.18 0.00 -0.84 0.00 0.00 61.79 60.47 1rg5 h SER 212 Cb 0.31 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1rg5 h SER 212 CO 0.02 1.01 -0.57 0.00 -1.14 0.00 0.00 176.83 176.15 1rg5 h ALA 213 N 1.06 0.39 -0.30 3.77 0.00 -1.26 -1.86 119.26 121.06 1rg5 h ALA 213 Ca 0.10 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1rg5 h ALA 213 Cb 0.71 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1rg5 h ALA 213 CO 0.05 0.62 0.02 1.25 0.00 0.00 0.00 179.25 181.19 1rg5 h LEU 214 N 0.55 -0.07 -0.28 0.00 5.85 -1.25 -1.85 115.31 118.26 1rg5 h LEU 214 Ca -0.00 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 1rg5 h LEU 214 Cb 1.18 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1rg5 h LEU 214 CO 0.12 -0.00 -0.69 0.25 -0.34 0.00 0.00 178.44 177.78 1rg5 h LEU 215 N 0.12 0.83 -0.50 2.25 5.85 -1.05 -1.27 115.31 121.53 1rg5 h LEU 215 Ca 0.14 -0.51 -0.17 0.00 0.84 0.00 0.00 57.88 58.19 1rg5 h LEU 215 Cb 0.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1rg5 h LEU 215 CO -0.22 1.29 -0.72 0.15 -0.34 0.00 0.00 178.44 178.60 1rg5 h PHE 216 N 0.51 0.27 -0.15 1.25 3.04 -1.36 -0.03 116.94 120.47 1rg5 h PHE 216 Ca -0.03 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.80 1rg5 h PHE 216 Cb 1.29 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 1rg5 h PHE 216 CO 0.07 0.85 0.08 0.00 -2.02 0.00 0.00 178.31 177.29 1rg5 h ALA 217 N 1.12 0.19 -0.03 2.41 0.00 -1.27 -0.15 119.26 121.53 1rg5 h ALA 217 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1rg5 h ALA 217 Cb 1.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1rg5 h ALA 217 CO 0.11 -0.28 -0.14 0.52 0.00 0.00 0.00 179.25 179.46 1rg5 h MET 218 N 0.15 -0.21 -0.09 0.00 2.86 -1.15 -1.69 114.93 114.81 1rg5 h MET 218 Ca 0.05 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1rg5 h MET 218 Cb 0.06 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1rg5 h MET 218 CO -0.01 -0.14 -0.11 1.25 1.06 0.00 0.00 176.91 178.96 1rg5 h HIS 219 N -0.22 0.28 -0.24 -0.22 -0.00 -0.94 -1.32 115.15 112.49 1rg5 h HIS 219 Ca 0.06 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1rg5 h HIS 219 Cb 0.29 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1rg5 h HIS 219 CO -0.21 0.69 0.15 0.78 -0.00 0.00 0.00 177.93 179.35 1rg5 h GLY 220 N -0.21 0.34 1.21 5.26 0.00 -1.08 -1.57 103.07 107.02 1rg5 h GLY 220 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1rg5 h GLY 220 CO 0.03 0.12 0.32 0.00 0.00 0.00 0.00 176.54 177.00 1rg5 h ALA 221 N 1.09 1.22 -0.04 3.60 0.00 -1.29 -2.56 119.26 121.28 1rg5 h ALA 221 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rg5 h ALA 221 Cb -0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1rg5 h ALA 221 CO -0.03 0.58 0.01 1.15 0.00 0.00 0.00 179.25 180.97 1rg5 h THR 222 N 1.01 1.18 -0.60 0.00 2.02 -0.68 -1.57 112.91 114.27 1rg5 h THR 222 Ca 0.24 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1rg5 h THR 222 Cb 0.14 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1rg5 h THR 222 CO -0.03 0.14 0.15 0.40 0.37 0.00 0.00 175.52 176.55 1rg5 h ILE 223 N -0.14 1.24 -0.58 3.11 1.08 -1.26 -1.96 117.51 119.00 1rg5 h ILE 223 Ca 0.01 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 63.54 1rg5 h ILE 223 Cb 0.22 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1rg5 h ILE 223 CO -0.00 0.33 0.04 -0.07 -0.69 0.00 0.00 178.15 177.76 1rg5 h LEU 224 N 0.89 0.94 -1.60 1.44 3.38 -1.41 -1.15 115.31 117.80 1rg5 h LEU 224 Ca 0.19 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1rg5 h LEU 224 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1rg5 h LEU 224 CO -0.00 0.97 -0.21 0.00 0.09 0.00 0.00 178.44 179.29 1rg5 h ALA 225 N 1.13 1.61 -0.41 1.53 0.00 -0.66 -2.58 119.26 119.88 1rg5 h ALA 225 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rg5 h ALA 225 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rg5 h ALA 225 CO 0.02 0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.86 1rg5 n VAL 226 N -4.23 2.16 0.23 0.00 0.24 -0.79 -4.58 118.33 111.36 1rg5 n VAL 226 Ca -0.02 -1.54 0.10 0.00 -2.04 0.00 0.00 64.34 60.84 1rg5 n VAL 226 Cb 0.27 -0.10 0.55 0.00 -1.47 0.00 0.00 33.84 33.09 1rg5 n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1rg5 h SER 227 N 2.74 0.00 0.09 -1.34 4.64 -0.78 -2.32 113.55 116.58 1rg5 h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rg5 h SER 227 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1rg5 h SER 227 CO 0.26 0.21 0.00 -2.11 -0.87 0.00 0.00 176.83 174.32 1rg5 n ARG 228 N -3.53 0.07 -0.48 4.77 1.85 -1.26 -1.78 116.66 116.30 1rg5 n ARG 228 Ca -0.01 0.53 0.05 0.00 -1.00 0.00 0.00 57.85 57.43 1rg5 n ARG 228 Cb 0.36 -1.71 0.19 0.00 -1.05 0.00 0.00 32.46 30.25 1rg5 n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1rg5 n PHE 229 N -1.86 0.29 -1.97 2.89 3.01 -0.93 -5.00 117.46 113.89 1rg5 n PHE 229 Ca -0.00 -1.33 -0.11 0.00 1.01 0.00 0.00 57.45 57.02 1rg5 n PHE 229 Cb 0.04 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.22 1rg5 n PHE 229 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rg5 n GLY 230 N -1.16 0.26 0.31 1.37 0.00 -0.73 -4.49 105.19 100.74 1rg5 n GLY 230 Ca 0.21 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1rg5 n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rg5 h GLY 231 N 0.00 0.00 2.00 -0.02 0.00 -1.61 -2.75 103.07 100.69 1rg5 h GLY 231 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1rg5 h GLY 231 CO 0.31 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.01 1rg5 n GLU 232 N -4.43 0.07 -1.61 4.80 0.00 -1.26 -4.01 120.64 114.19 1rg5 n GLU 232 Ca 0.01 0.29 -0.41 0.00 0.00 0.00 0.00 57.16 57.05 1rg5 n GLU 232 Cb 0.27 -1.62 -0.01 0.00 0.00 0.00 0.00 31.44 30.08 1rg5 n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1rg5 n ARG 233 N -1.75 3.08 -0.08 3.44 1.74 -1.04 -4.77 116.66 117.29 1rg5 n ARG 233 Ca 0.03 -2.49 -0.10 0.00 -0.77 0.00 0.00 57.85 54.52 1rg5 n ARG 233 Cb 0.20 -3.16 0.03 0.00 -1.02 0.00 0.00 32.46 28.52 1rg5 n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1rg5 h GLU 234 N 5.73 0.81 -0.75 5.56 5.08 -1.87 -2.49 114.58 126.64 1rg5 h GLU 234 Ca 0.65 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1rg5 h GLU 234 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1rg5 h GLU 234 CO 1.86 1.03 0.35 -0.07 -1.00 0.00 0.00 179.01 181.19 1rg5 h LEU 235 N 0.67 0.99 -0.23 1.33 3.38 -1.94 -1.82 115.31 117.69 1rg5 h LEU 235 Ca 0.06 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1rg5 h LEU 235 Cb 0.91 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1rg5 h LEU 235 CO 0.08 0.86 -0.79 -0.08 0.09 0.00 0.00 178.44 178.60 1rg5 h GLU 236 N 1.06 0.00 0.00 1.13 4.57 -1.93 -2.72 114.58 116.70 1rg5 h GLU 236 Ca 0.26 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1rg5 h GLU 236 Cb 0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1rg5 h GLU 236 CO -0.03 0.79 -0.14 1.96 -1.18 0.00 0.00 179.01 180.41 1rg5 h GLN 237 N 0.00 0.00 -0.16 1.92 1.08 -1.27 -0.80 115.11 115.88 1rg5 h GLN 237 Ca -0.01 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1rg5 h GLN 237 Cb 1.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.93 1rg5 h GLN 237 CO 0.10 0.14 -0.08 0.82 -0.95 0.00 0.00 178.83 178.86 1rg5 h ILE 238 N 0.00 1.31 0.00 2.54 2.04 -1.03 -2.86 117.51 119.51 1rg5 h ILE 238 Ca -0.00 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 1rg5 h ILE 238 Cb 0.30 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1rg5 h ILE 238 CO 0.02 0.33 -0.28 0.00 0.00 0.00 0.00 178.15 178.22 1rg5 h ALA 239 N 0.68 0.99 -0.91 1.87 0.00 -1.29 -3.41 119.26 117.19 1rg5 h ALA 239 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1rg5 h ALA 239 Cb 0.55 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.13 1rg5 h ALA 239 CO 0.02 0.35 -0.44 0.34 0.00 0.00 0.00 179.25 179.52 1rg5 s ASP 240 N -6.27 -1.34 0.00 0.00 2.15 -0.33 -5.10 116.67 105.78 1rg5 s ASP 240 Ca 0.01 -1.41 -0.38 0.00 0.43 0.00 0.00 52.55 51.20 1rg5 s ASP 240 Cb 0.10 1.75 -0.18 0.00 -0.30 0.00 0.00 42.92 44.29 1rg5 s ASP 240 CO 0.66 -0.07 1.33 -1.14 -0.17 0.00 0.00 175.17 175.77 1rg5 n ARG 241 N 3.20 0.81 -3.05 4.34 0.63 -1.08 -4.45 116.66 117.07 1rg5 n ARG 241 Ca 0.16 0.29 -0.15 0.00 -0.92 0.00 0.00 57.85 57.23 1rg5 n ARG 241 Cb 0.57 -1.90 -0.02 0.00 0.45 0.00 0.00 32.46 31.56 1rg5 n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rg5 n GLY 242 N 2.50 3.41 0.25 5.14 0.00 -1.26 -5.04 105.19 110.20 1rg5 n GLY 242 Ca 0.20 -2.27 0.13 0.00 0.00 0.00 0.00 46.02 44.09 1rg5 n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg5 h THR 243 N 0.87 0.35 0.29 2.61 1.03 -1.94 -2.74 112.91 113.39 1rg5 h THR 243 Ca -0.20 -0.78 -0.01 0.00 -0.01 0.00 0.00 66.41 65.42 1rg5 h THR 243 Cb 0.65 1.58 -0.01 0.00 -1.07 0.00 0.00 68.15 69.31 1rg5 h THR 243 CO 0.32 0.12 -0.19 0.00 -0.01 0.00 0.00 175.52 175.76 1rg5 h ALA 244 N 1.88 -0.46 -0.33 0.00 0.00 -1.90 -1.03 119.26 117.41 1rg5 h ALA 244 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1rg5 h ALA 244 Cb 0.57 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1rg5 h ALA 244 CO 0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 179.25 178.41 1rg5 h ALA 245 N 0.21 1.22 -0.32 0.00 0.00 -1.88 -2.23 119.26 116.26 1rg5 h ALA 245 Ca -0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1rg5 h ALA 245 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rg5 h ALA 245 CO 0.02 0.51 -0.14 0.93 0.00 0.00 0.00 179.25 180.57 1rg5 h GLU 246 N 0.52 0.67 -0.35 0.00 5.08 -1.37 -2.33 114.58 116.80 1rg5 h GLU 246 Ca 0.10 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 1rg5 h GLU 246 Cb 0.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1rg5 h GLU 246 CO 0.03 0.87 -0.34 0.00 -1.00 0.00 0.00 179.01 178.57 1rg5 h ARG 247 N 0.43 0.79 -0.34 2.33 3.08 -1.14 -1.87 114.38 117.66 1rg5 h ARG 247 Ca 0.07 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.77 1rg5 h ARG 247 Cb 0.67 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1rg5 h ARG 247 CO 0.04 1.01 0.16 0.00 -1.07 0.00 0.00 179.97 180.11 1rg5 h ALA 248 N 0.96 0.41 -0.46 0.04 0.00 -1.44 -1.31 119.26 117.45 1rg5 h ALA 248 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rg5 h ALA 248 Cb 0.89 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1rg5 h ALA 248 CO 0.08 -0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.33 1rg5 h ALA 249 N 1.18 0.59 -0.07 0.00 0.00 -1.29 -3.22 119.26 116.45 1rg5 h ALA 249 Ca 0.14 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1rg5 h ALA 249 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rg5 h ALA 249 CO -0.11 0.16 -0.50 -0.07 0.00 0.00 0.00 179.25 178.73 1rg5 h LEU 250 N 0.60 0.18 -0.27 0.00 3.38 -1.25 -0.94 115.31 117.01 1rg5 h LEU 250 Ca 0.16 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1rg5 h LEU 250 Cb 0.12 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1rg5 h LEU 250 CO -0.02 0.66 -0.18 0.15 0.09 0.00 0.00 178.44 179.14 1rg5 h PHE 251 N 0.14 -0.45 -0.06 1.13 3.04 -1.25 -1.06 116.94 118.42 1rg5 h PHE 251 Ca 0.00 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.79 1rg5 h PHE 251 Cb 0.93 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.69 1rg5 h PHE 251 CO 0.01 -0.25 -0.80 -1.49 -2.02 0.00 0.00 178.31 173.76 1rg5 h TRP 252 N -0.16 0.64 -0.27 0.41 4.06 -1.53 -1.99 115.95 117.11 1rg5 h TRP 252 Ca 0.15 -0.30 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 1rg5 h TRP 252 Cb 0.38 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1rg5 h TRP 252 CO -0.36 1.09 0.15 -0.09 -3.56 0.00 0.00 178.44 175.67 1rg5 h ARG 253 N 0.30 0.39 0.00 0.49 2.43 -1.03 -1.04 114.38 115.92 1rg5 h ARG 253 Ca -0.05 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1rg5 h ARG 253 Cb 1.40 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1rg5 h ARG 253 CO 0.14 0.34 -0.30 -1.49 -1.51 0.00 0.00 179.97 177.16 1rg5 h TRP 254 N 0.32 0.00 0.02 2.20 6.55 -1.17 -0.58 115.95 123.28 1rg5 h TRP 254 Ca 0.10 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.94 1rg5 h TRP 254 Cb 0.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 1rg5 h TRP 254 CO -0.03 0.30 -0.01 1.15 -1.05 0.00 0.00 178.44 178.80 1rg5 h THR 255 N 0.00 1.25 0.00 1.49 2.02 -1.09 -3.43 112.91 113.16 1rg5 h THR 255 Ca -0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1rg5 h THR 255 Cb 0.56 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1rg5 h THR 255 CO 0.04 0.41 0.00 1.15 0.37 0.00 0.00 175.52 177.49 1rg5 n MET 256 N -4.69 0.67 -0.23 6.66 0.00 -0.42 -5.04 117.12 114.07 1rg5 n MET 256 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 57.70 56.90 1rg5 n MET 256 Cb 0.33 -0.81 0.00 0.00 0.00 0.00 0.00 33.22 32.75 1rg5 n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rg5 n GLY 257 N -0.16 0.77 3.71 3.17 0.00 -0.23 -5.01 105.19 107.43 1rg5 n GLY 257 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1rg5 n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rg5 s PHE 258 N -2.57 0.24 0.29 1.61 -0.71 -1.26 -4.94 117.98 110.65 1rg5 s PHE 258 Ca 0.00 -0.69 -0.16 0.00 -1.04 0.00 0.00 56.93 55.04 1rg5 s PHE 258 Cb 0.00 0.46 0.02 0.00 -1.21 0.00 0.00 43.02 42.29 1rg5 s PHE 258 CO 0.00 -1.23 0.63 0.54 -1.34 0.00 0.00 175.22 173.83 1rg5 s ASN 259 N -3.03 -0.09 0.47 1.98 4.22 -1.26 -3.25 114.94 113.98 1rg5 s ASN 259 Ca 0.18 -0.85 0.06 0.00 -2.14 0.00 0.00 52.86 50.12 1rg5 s ASN 259 Cb -0.03 0.70 -0.01 0.00 1.28 0.00 0.00 41.25 43.18 1rg5 s ASN 259 CO 0.11 -1.33 0.28 0.00 -2.04 0.00 0.00 177.10 174.12 1rg5 s ALA 260 N -3.66 4.03 0.45 3.54 0.00 -1.26 -5.08 121.76 119.77 1rg5 s ALA 260 Ca 0.17 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.61 1rg5 s ALA 260 Cb -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1rg5 s ALA 260 CO 0.09 -0.27 0.59 0.95 0.00 0.00 0.00 175.76 177.12 1rg5 s THR 261 N -2.67 2.79 0.18 0.00 -4.23 -1.26 -4.72 115.64 105.72 1rg5 s THR 261 Ca 0.36 -1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 1rg5 s THR 261 Cb 0.00 -2.83 0.08 0.00 1.34 0.00 0.00 72.50 71.10 1rg5 s THR 261 CO 0.21 0.00 1.70 -0.03 -0.54 0.00 0.00 174.62 175.96 1rg5 h MET 262 N 0.60 0.99 -0.09 3.99 4.05 -1.93 -1.78 114.93 120.75 1rg5 h MET 262 Ca -0.38 -0.22 -0.04 0.00 -0.28 0.00 0.00 59.70 58.78 1rg5 h MET 262 Cb 1.28 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1rg5 h MET 262 CO 0.46 0.88 -0.10 1.49 0.23 0.00 0.00 176.91 179.87 1rg5 h GLU 263 N 0.91 0.23 -0.21 0.39 4.81 -1.95 -3.37 114.58 115.40 1rg5 h GLU 263 Ca 0.20 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1rg5 h GLU 263 Cb 0.32 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1rg5 h GLU 263 CO -0.00 0.66 0.01 0.78 -0.73 0.00 0.00 179.01 179.73 1rg5 h GLY 264 N -0.19 0.32 2.00 1.92 0.00 -1.92 -2.03 103.07 103.17 1rg5 h GLY 264 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1rg5 h GLY 264 CO 0.02 0.15 -0.08 1.19 0.00 0.00 0.00 176.54 177.83 1rg5 h ILE 265 N 0.30 0.97 0.00 2.60 6.09 -1.48 -2.11 117.51 123.87 1rg5 h ILE 265 Ca 0.07 -0.27 -0.09 0.00 -1.37 0.00 0.00 64.86 63.21 1rg5 h ILE 265 Cb 0.18 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 1rg5 h ILE 265 CO 0.00 0.07 -0.42 0.45 -3.07 0.00 0.00 178.15 175.19 1rg5 h HIS 266 N 0.00 0.00 -0.17 2.19 3.86 -1.54 -0.88 115.15 118.60 1rg5 h HIS 266 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1rg5 h HIS 266 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1rg5 h HIS 266 CO 0.00 0.42 -0.41 0.00 0.86 0.00 0.00 177.93 178.80 1rg5 h ARG 267 N 0.00 0.59 -0.51 2.45 3.08 -1.42 -1.96 114.38 116.61 1rg5 h ARG 267 Ca -0.00 -0.40 0.08 0.00 0.07 0.00 0.00 59.98 59.72 1rg5 h ARG 267 Cb 0.98 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.02 1rg5 h ARG 267 CO 0.05 1.02 0.15 -1.49 -1.07 0.00 0.00 179.97 178.63 1rg5 h TRP 268 N 0.25 0.26 0.40 3.04 4.06 -1.41 -2.63 115.95 119.91 1rg5 h TRP 268 Ca -0.00 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1rg5 h TRP 268 Cb 1.02 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 1rg5 h TRP 268 CO 0.10 0.05 -0.21 0.00 -3.56 0.00 0.00 178.44 174.82 1rg5 h ALA 269 N 1.36 -0.56 -0.72 1.49 0.00 -1.11 -1.67 119.26 118.06 1rg5 h ALA 269 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1rg5 h ALA 269 Cb 0.30 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1rg5 h ALA 269 CO -0.28 -0.82 0.25 0.97 0.00 0.00 0.00 179.25 179.36 1rg5 h ILE 270 N -0.57 1.25 -0.33 0.00 2.10 -1.37 -2.99 117.51 115.61 1rg5 h ILE 270 Ca -0.05 -0.85 -0.18 0.00 1.08 0.00 0.00 64.86 64.87 1rg5 h ILE 270 Cb 0.45 0.43 -0.00 0.00 -1.09 0.00 0.00 36.82 36.61 1rg5 h ILE 270 CO 0.07 0.34 -0.48 -0.50 -1.08 0.00 0.00 178.15 176.49 1rg5 h TRP 271 N 1.06 1.12 -0.58 2.19 4.06 -1.43 -2.26 115.95 120.11 1rg5 h TRP 271 Ca 0.24 -0.37 0.05 0.00 2.06 0.00 0.00 58.89 60.87 1rg5 h TRP 271 Cb 0.26 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.15 1rg5 h TRP 271 CO 0.02 1.20 0.30 1.98 -3.56 0.00 0.00 178.44 178.39 1rg5 h MET 272 N 0.71 0.56 -0.01 0.49 4.05 -1.21 -2.30 114.93 117.23 1rg5 h MET 272 Ca 0.03 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1rg5 h MET 272 Cb 1.08 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1rg5 h MET 272 CO 0.11 0.37 -0.01 0.00 0.23 0.00 0.00 176.91 177.61 1rg5 h ALA 273 N 1.31 0.01 -0.23 0.39 0.00 -1.53 -3.30 119.26 115.90 1rg5 h ALA 273 Ca 0.26 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1rg5 h ALA 273 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rg5 h ALA 273 CO -0.17 -0.19 0.16 0.28 0.00 0.00 0.00 179.25 179.32 1rg5 h VAL 274 N -0.54 0.99 0.00 0.00 2.07 -1.40 -2.43 116.25 114.95 1rg5 h VAL 274 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1rg5 h VAL 274 Cb 0.58 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1rg5 h VAL 274 CO 0.00 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.56 1rg5 h LEU 275 N 0.20 0.00 0.38 2.57 3.38 -1.49 -2.59 115.31 117.76 1rg5 h LEU 275 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rg5 h LEU 275 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1rg5 h LEU 275 CO -0.02 0.00 -0.46 0.58 0.09 0.00 0.00 178.44 178.64 1rg5 h VAL 276 N 0.00 0.10 0.00 1.22 2.07 -1.54 -2.35 116.25 115.74 1rg5 h VAL 276 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1rg5 h VAL 276 Cb 0.62 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1rg5 h VAL 276 CO 0.00 0.00 -0.04 0.71 0.02 0.00 0.00 177.57 178.26 1rg5 h THR 277 N -0.87 0.07 0.05 2.57 1.35 -1.71 -2.76 112.91 111.61 1rg5 h THR 277 Ca -0.04 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1rg5 h THR 277 Cb 0.79 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1rg5 h THR 277 CO -0.11 0.04 -0.02 0.25 -0.25 0.00 0.00 175.52 175.43 1rg5 h LEU 278 N 0.00 -0.06 -0.76 3.87 5.85 -1.45 -2.31 115.31 120.45 1rg5 h LEU 278 Ca -0.00 -0.51 -0.10 0.00 0.84 0.00 0.00 57.88 58.11 1rg5 h LEU 278 Cb 1.03 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1rg5 h LEU 278 CO 0.01 0.51 -0.09 0.71 -0.34 0.00 0.00 178.44 179.23 1rg5 h THR 279 N -0.64 1.26 -0.34 1.05 1.35 -1.54 -3.14 112.91 110.91 1rg5 h THR 279 Ca -0.01 -1.17 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 1rg5 h THR 279 Cb 0.56 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1rg5 h THR 279 CO 0.01 0.41 0.13 1.23 -0.25 0.00 0.00 175.52 177.05 1rg5 h GLY 280 N 0.97 0.55 1.18 5.82 0.00 -1.55 -2.52 103.07 107.53 1rg5 h GLY 280 Ca 0.13 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.21 1rg5 h GLY 280 CO 0.04 0.28 0.43 -1.33 0.00 0.00 0.00 176.54 175.95 1rg5 h GLY 281 N 0.40 0.84 0.85 4.60 0.00 -1.44 -2.23 103.07 106.09 1rg5 h GLY 281 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1rg5 h GLY 281 CO -0.01 0.22 -0.10 -2.22 0.00 0.00 0.00 176.54 174.43 1rg5 h ILE 282 N 0.69 1.30 -0.71 2.60 2.04 -1.45 -1.89 117.51 120.08 1rg5 h ILE 282 Ca 0.27 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1rg5 h ILE 282 Cb 0.19 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1rg5 h ILE 282 CO -0.08 0.36 0.47 1.23 0.00 0.00 0.00 178.15 180.13 1rg5 h GLY 283 N 0.24 0.97 1.15 5.37 0.00 -1.12 -2.41 103.07 107.28 1rg5 h GLY 283 Ca 0.06 -0.33 -0.27 0.00 0.00 0.00 0.00 47.33 46.79 1rg5 h GLY 283 CO 0.03 0.28 -1.08 -2.22 0.00 0.00 0.00 176.54 173.55 1rg5 h ILE 284 N 0.84 1.30 -0.87 2.60 1.08 -1.40 -3.23 117.51 117.83 1rg5 h ILE 284 Ca 0.29 -2.34 0.09 0.00 -0.39 0.00 0.00 64.86 62.51 1rg5 h ILE 284 Cb 0.09 2.58 -0.06 0.00 -3.07 0.00 0.00 36.82 36.36 1rg5 h ILE 284 CO -0.08 0.71 0.57 0.25 -0.69 0.00 0.00 178.15 178.90 1rg5 h LEU 285 N 0.26 0.78 0.00 1.44 5.85 -1.09 -2.30 115.31 120.25 1rg5 h LEU 285 Ca -0.15 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1rg5 h LEU 285 Cb 1.76 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1rg5 h LEU 285 CO 0.21 0.46 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.68 1rg5 h LEU 286 N 0.87 0.00 -8.90 2.25 3.38 -1.54 -3.40 115.31 107.97 1rg5 h LEU 286 Ca 0.40 -0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.80 1rg5 h LEU 286 Cb 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1rg5 h LEU 286 CO -0.17 0.00 1.03 -0.44 0.09 0.00 0.00 178.44 178.95 1rg5 s SER 287 N -6.09 6.50 0.00 -0.43 0.01 -0.87 -1.79 113.70 111.03 1rg5 s SER 287 Ca 0.07 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1rg5 s SER 287 Cb 0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1rg5 s SER 287 CO 0.67 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1rg5 n GLY 288 N 4.67 2.98 0.10 3.44 0.00 0.12 -4.81 105.19 111.69 1rg5 n GLY 288 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1rg5 n GLY 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rg5 h THR 289 N 0.00 0.99 0.00 2.61 1.35 -1.77 -3.45 112.91 112.64 1rg5 h THR 289 Ca 0.00 -2.22 -0.17 0.00 -0.55 0.00 0.00 66.41 63.48 1rg5 h THR 289 Cb 0.00 2.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 1rg5 h THR 289 CO 0.00 0.40 -1.63 0.52 -0.25 0.00 0.00 175.52 174.55 1rg5 n VAL 290 N -4.36 0.64 -3.97 6.82 0.31 -0.90 -5.00 118.33 111.87 1rg5 n VAL 290 Ca -0.30 -0.31 -0.29 0.00 -0.01 0.00 0.00 64.34 63.44 1rg5 n VAL 290 Cb 0.70 -0.84 -0.17 0.00 -0.91 0.00 0.00 33.84 32.62 1rg5 n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1rg5 s VAL 291 N -2.22 1.35 -0.18 2.52 1.01 -0.74 -5.01 120.40 117.13 1rg5 s VAL 291 Ca -0.10 -0.53 0.17 0.00 0.00 0.00 0.00 61.98 61.51 1rg5 s VAL 291 Cb 0.03 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1rg5 s VAL 291 CO 0.31 0.38 1.23 0.44 0.00 0.00 0.00 175.10 177.46 1rg5 h ASP 292 N 8.10 0.00 -2.24 3.32 3.32 -1.89 0.33 116.42 127.36 1rg5 h ASP 292 Ca -0.34 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.53 1rg5 h ASP 292 Cb 1.13 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.37 1rg5 h ASP 292 CO 0.47 0.44 -0.50 0.21 -1.72 0.00 0.00 179.24 178.14 1rg5 s ASN 293 N -6.13 0.40 0.18 6.45 3.84 -1.26 -4.43 114.94 114.00 1rg5 s ASN 293 Ca 0.02 0.30 -0.05 0.00 0.21 0.00 0.00 52.86 53.34 1rg5 s ASN 293 Cb 0.08 0.95 0.09 0.00 -0.55 0.00 0.00 41.25 41.82 1rg5 s ASN 293 CO 0.76 -0.29 1.51 -0.50 -2.79 0.00 0.00 177.10 175.80 1rg5 h TRP 294 N 8.22 0.83 -0.52 0.43 4.06 -1.30 -2.42 115.95 125.25 1rg5 h TRP 294 Ca -0.18 -0.27 0.11 0.00 2.06 0.00 0.00 58.89 60.61 1rg5 h TRP 294 Cb 1.14 -0.17 -0.09 0.00 -1.00 0.00 0.00 29.16 29.04 1rg5 h TRP 294 CO 0.18 1.02 -0.06 -0.92 -3.56 0.00 0.00 178.44 175.10 1rg5 h TYR 295 N 0.54 -0.15 -0.63 0.49 3.20 -1.80 -0.16 116.97 118.46 1rg5 h TYR 295 Ca 0.03 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1rg5 h TYR 295 Cb 1.02 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 1rg5 h TYR 295 CO 0.05 -0.18 0.12 0.28 -1.64 0.00 0.00 178.16 176.80 1rg5 h VAL 296 N 0.06 1.26 -0.37 1.81 2.07 -1.85 -2.69 116.25 116.54 1rg5 h VAL 296 Ca 0.26 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1rg5 h VAL 296 Cb 0.40 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1rg5 h VAL 296 CO -0.49 0.37 0.10 -0.25 0.02 0.00 0.00 177.57 177.31 1rg5 h TRP 297 N 0.95 0.61 -0.03 1.57 7.01 -1.07 -2.81 115.95 122.17 1rg5 h TRP 297 Ca 0.19 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.14 1rg5 h TRP 297 Cb 0.40 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1rg5 h TRP 297 CO 0.03 0.60 0.03 0.78 -2.79 0.00 0.00 178.44 177.08 1rg5 h GLY 298 N 0.44 0.00 1.80 2.65 0.00 -0.84 -2.19 103.07 104.93 1rg5 h GLY 298 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 1rg5 h GLY 298 CO -0.00 0.00 -0.78 1.46 0.00 0.00 0.00 176.54 177.22 1rg5 h GLN 299 N 0.00 0.19 -0.00 4.80 1.08 -1.22 -3.30 115.11 116.66 1rg5 h GLN 299 Ca 0.02 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1rg5 h GLN 299 Cb 0.07 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1rg5 h GLN 299 CO -0.00 0.88 -0.61 0.09 -0.95 0.00 0.00 178.83 178.24 1rg5 n ASN 300 N -3.72 0.90 -3.09 1.46 4.13 -0.88 -4.67 115.26 109.39 1rg5 n ASN 300 Ca -0.03 -0.71 -0.20 0.00 1.68 0.00 0.00 54.58 55.32 1rg5 n ASN 300 Cb 0.74 0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 39.42 1rg5 n ASN 300 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1rg5 n HIS 301 N -1.20 -1.06 0.00 3.10 8.25 -0.88 -5.11 115.22 118.32 1rg5 n HIS 301 Ca 0.07 -3.14 0.00 0.00 -0.26 0.00 0.00 57.72 54.38 1rg5 n HIS 301 Cb 0.35 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1rg5 n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39