#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rg9 s GLU 2 N 0.00 4.23 -0.19 -0.72 2.56 -1.26 -4.87 118.70 118.45 2rg9 s GLU 2 Ca 0.00 2.39 -0.00 0.00 0.00 0.00 0.00 54.97 57.35 2rg9 s GLU 2 Cb 0.00 -3.03 0.05 0.00 2.00 0.00 0.00 34.13 33.15 2rg9 s GLU 2 CO 0.00 -0.38 -0.04 0.50 -0.56 0.00 0.00 175.26 174.78 2rg9 s ARG 3 N -1.68 1.40 -0.13 4.30 3.52 -1.26 -0.75 118.95 124.35 2rg9 s ARG 3 Ca 0.52 -0.66 -0.06 0.00 -0.13 0.00 0.00 55.73 55.40 2rg9 s ARG 3 Cb -0.43 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.70 2rg9 s ARG 3 CO 0.56 -0.51 0.09 -0.51 -0.81 0.00 0.00 175.30 174.11 2rg9 s LEU 4 N 1.58 4.05 -0.09 -0.88 1.43 0.12 -4.97 118.68 119.92 2rg9 s LEU 4 Ca -0.02 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 2rg9 s LEU 4 Cb -0.17 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2rg9 s LEU 4 CO -0.07 0.33 -0.17 -0.44 0.23 0.00 0.00 176.35 176.22 2rg9 s SER 5 N -0.54 3.74 -0.09 2.29 0.01 -1.26 0.04 113.70 117.88 2rg9 s SER 5 Ca 0.11 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.03 2rg9 s SER 5 Cb -0.12 -1.20 0.02 0.00 0.21 0.00 0.00 66.02 64.94 2rg9 s SER 5 CO 0.02 0.24 -0.09 -0.22 0.41 0.00 0.00 173.24 173.60 2rg9 s LEU 6 N -0.09 1.37 -0.24 2.44 2.96 0.28 -4.95 118.68 120.44 2rg9 s LEU 6 Ca -0.03 -0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 53.35 2rg9 s LEU 6 Cb -0.14 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 2rg9 s LEU 6 CO 0.04 -0.06 0.79 -0.13 -1.32 0.00 0.00 176.35 175.67 2rg9 s ARG 7 N 1.26 4.18 -0.40 1.98 0.52 -1.26 -2.15 118.95 123.08 2rg9 s ARG 7 Ca -0.04 0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 2rg9 s ARG 7 Cb -0.14 -3.64 0.04 0.00 0.52 0.00 0.00 34.95 31.74 2rg9 s ARG 7 CO -0.03 -0.47 0.24 0.95 0.02 0.00 0.00 175.30 176.01 2rg9 s THR 8 N 2.69 4.64 0.24 0.02 -4.23 -0.36 -4.73 115.64 113.91 2rg9 s THR 8 Ca 0.33 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.85 2rg9 s THR 8 Cb -0.15 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2rg9 s THR 8 CO 0.08 -0.33 0.25 0.68 -0.54 0.00 0.00 174.62 174.76 2rg9 s VAL 9 N 1.55 0.00 -2.00 2.29 -7.23 -1.26 -3.09 120.40 110.66 2rg9 s VAL 9 Ca 0.03 -1.85 0.14 0.00 -1.81 0.00 0.00 61.98 58.49 2rg9 s VAL 9 Cb -0.20 -2.46 0.40 0.00 0.56 0.00 0.00 36.38 34.68 2rg9 s VAL 9 CO 0.06 0.00 1.27 0.00 -0.31 0.00 0.00 175.10 176.12 2rg9 n GLN 10 N -0.38 0.54 0.00 4.82 3.00 -1.26 -1.89 117.38 122.21 2rg9 n GLN 10 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.07 2rg9 n GLN 10 Cb 0.64 -1.41 -0.01 0.00 0.00 0.00 0.00 30.24 29.47 2rg9 n GLN 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2rg9 n GLN 11 N -0.91 2.06 -1.72 -1.09 3.00 -1.26 -4.99 117.38 112.48 2rg9 n GLN 11 Ca 0.11 -0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 56.07 2rg9 n GLN 11 Cb 0.05 -1.15 -0.03 0.00 0.00 0.00 0.00 30.24 29.11 2rg9 n GLN 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2rg9 n THR 12 N -0.34 0.02 -3.11 5.09 -1.04 -0.80 -4.99 114.28 109.11 2rg9 n THR 12 Ca 0.05 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.81 2rg9 n THR 12 Cb 0.25 -1.98 -0.01 0.00 -1.82 0.00 0.00 70.33 66.78 2rg9 n THR 12 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2rg9 s THR 13 N 1.24 4.96 0.28 12.58 -4.23 -1.26 -4.79 115.64 124.43 2rg9 s THR 13 Ca 0.76 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.99 2rg9 s THR 13 Cb -0.51 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 69.76 2rg9 s THR 13 CO 0.33 -0.64 1.94 1.23 -0.54 0.00 0.00 174.62 176.93 2rg9 h GLY 14 N 0.55 1.31 1.00 3.99 0.00 -1.81 -2.23 103.07 105.87 2rg9 h GLY 14 Ca -0.49 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.39 2rg9 h GLY 14 CO 0.61 0.41 0.21 1.05 0.00 0.00 0.00 176.54 178.83 2rg9 h GLU 15 N 1.18 0.42 -0.74 4.80 9.09 -1.94 0.10 114.58 127.49 2rg9 h GLU 15 Ca 0.36 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.73 2rg9 h GLU 15 Cb -0.03 -0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 26.94 2rg9 h GLU 15 CO -0.10 0.28 0.44 0.93 0.05 0.00 0.00 179.01 180.61 2rg9 h GLU 16 N 0.44 1.01 -0.35 1.06 5.08 -1.85 0.29 114.58 120.26 2rg9 h GLU 16 Ca 0.12 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2rg9 h GLU 16 Cb -0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2rg9 h GLU 16 CO -0.03 0.72 0.10 -0.92 -1.00 0.00 0.00 179.01 177.88 2rg9 h TYR 17 N 1.01 0.58 -0.70 4.33 3.20 -1.21 -1.68 116.97 122.50 2rg9 h TYR 17 Ca 0.27 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2rg9 h TYR 17 Cb -0.03 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2rg9 h TYR 17 CO -0.01 0.58 0.46 0.35 -1.64 0.00 0.00 178.16 177.90 2rg9 h PHE 18 N 0.41 0.89 -0.75 -3.82 3.57 -0.08 -1.18 116.94 115.98 2rg9 h PHE 18 Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2rg9 h PHE 18 Cb 0.28 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2rg9 h PHE 18 CO 0.01 0.56 0.23 1.03 -2.23 0.00 0.00 178.31 177.91 2rg9 h SER 19 N 0.95 1.09 -0.26 0.41 0.87 -0.27 -1.20 113.55 115.15 2rg9 h SER 19 Ca 0.26 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2rg9 h SER 19 Cb -0.10 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.56 2rg9 h SER 19 CO -0.05 1.02 0.16 0.15 -0.53 0.00 0.00 176.83 177.57 2rg9 h PHE 20 N 1.12 0.34 -0.63 2.24 3.57 -0.74 -0.62 116.94 122.23 2rg9 h PHE 20 Ca 0.24 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 2rg9 h PHE 20 Cb 0.32 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2rg9 h PHE 20 CO 0.03 0.26 0.06 0.82 -2.23 0.00 0.00 178.31 177.25 2rg9 h ILE 21 N 0.32 1.26 -0.61 1.41 1.08 -0.98 -1.50 117.51 118.49 2rg9 h ILE 21 Ca 0.09 -1.07 -0.06 0.00 -0.39 0.00 0.00 64.86 63.43 2rg9 h ILE 21 Cb 0.02 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 2rg9 h ILE 21 CO -0.02 0.40 0.13 0.71 -0.69 0.00 0.00 178.15 178.68 2rg9 h THR 22 N 0.97 1.25 -0.54 -0.27 1.35 -1.06 -0.54 112.91 114.07 2rg9 h THR 22 Ca 0.19 -0.92 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 2rg9 h THR 22 Cb 0.48 0.64 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 2rg9 h THR 22 CO 0.02 0.35 0.32 -0.07 -0.25 0.00 0.00 175.52 175.88 2rg9 h LEU 23 N 0.92 0.67 -0.57 3.87 4.07 -0.81 0.93 115.31 124.38 2rg9 h LEU 23 Ca 0.19 -0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.09 2rg9 h LEU 23 Cb 0.36 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 2rg9 h LEU 23 CO 0.00 0.54 0.37 0.25 -1.08 0.00 0.00 178.44 178.53 2rg9 h LEU 24 N 0.73 0.63 0.15 1.67 5.85 -0.79 -1.29 115.31 122.26 2rg9 h LEU 24 Ca 0.19 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2rg9 h LEU 24 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2rg9 h LEU 24 CO -0.03 0.46 -0.15 0.03 -0.34 0.00 0.00 178.44 178.40 2rg9 h ARG 25 N 0.75 -0.32 -0.34 1.25 3.08 -0.73 -2.02 114.38 116.06 2rg9 h ARG 25 Ca 0.21 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.34 2rg9 h ARG 25 Cb -0.07 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 2rg9 h ARG 25 CO -0.06 -0.21 -0.49 -0.44 -1.07 0.00 0.00 179.97 177.70 2rg9 h ASP 26 N -0.33 -1.60 -0.49 7.04 3.32 -0.56 -0.36 116.42 123.43 2rg9 h ASP 26 Ca 0.00 0.22 0.03 0.00 0.02 0.00 0.00 57.03 57.30 2rg9 h ASP 26 Cb 0.31 0.67 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 2rg9 h ASP 26 CO -0.04 -0.41 0.28 0.15 -1.72 0.00 0.00 179.24 177.50 2rg9 h PHE 27 N -0.41 0.52 0.00 4.55 3.57 -1.08 -1.80 116.94 122.30 2rg9 h PHE 27 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2rg9 h PHE 27 Cb 0.61 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2rg9 h PHE 27 CO -0.64 0.28 0.00 1.33 -2.23 0.00 0.00 178.31 177.06 2rg9 n VAL 28 N -4.84 0.26 -2.02 1.41 0.24 -0.77 -4.77 118.33 107.85 2rg9 n VAL 28 Ca 0.03 0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 61.98 2rg9 n VAL 28 Cb 0.09 -0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 31.80 2rg9 n VAL 28 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2rg9 s SER 29 N -2.92 6.68 0.41 -1.34 0.01 -0.17 -3.89 113.70 112.48 2rg9 s SER 29 Ca 0.14 2.33 0.27 0.00 1.31 0.00 0.00 55.95 60.01 2rg9 s SER 29 Cb 0.16 -2.56 0.81 0.00 0.21 0.00 0.00 66.02 64.65 2rg9 s SER 29 CO 0.44 -0.85 1.77 0.77 0.41 0.00 0.00 173.24 175.78 2rg9 h SER 30 N 8.48 0.00 0.00 2.44 4.64 -1.58 -3.47 113.55 124.06 2rg9 h SER 30 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2rg9 h SER 30 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2rg9 h SER 30 CO 0.93 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 2rg9 n GLY 31 N 0.68 1.86 3.95 -0.77 0.00 -1.26 -4.98 105.19 104.67 2rg9 n GLY 31 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2rg9 n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rg9 s SER 32 N -1.61 6.29 0.17 1.61 0.01 -1.26 -5.02 113.70 113.89 2rg9 s SER 32 Ca 0.00 0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.62 2rg9 s SER 32 Cb 0.00 -1.97 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 2rg9 s SER 32 CO 0.00 -0.24 -0.03 -0.36 0.41 0.00 0.00 173.24 173.02 2rg9 s PHE 33 N -2.23 1.24 -0.06 2.43 0.40 -1.26 -1.63 117.98 116.87 2rg9 s PHE 33 Ca 0.38 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 2rg9 s PHE 33 Cb -0.09 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.76 2rg9 s PHE 33 CO 0.34 -0.12 -0.05 0.45 0.70 0.00 0.00 175.22 176.54 2rg9 s SER 34 N -3.18 1.41 -1.67 1.36 0.15 -0.19 -4.83 113.70 106.76 2rg9 s SER 34 Ca 0.22 -0.17 -0.18 0.00 0.70 0.00 0.00 55.95 56.52 2rg9 s SER 34 Cb 0.05 -0.57 0.14 0.00 -1.71 0.00 0.00 66.02 63.93 2rg9 s SER 34 CO 0.03 -0.08 0.84 0.59 1.20 0.00 0.00 173.24 175.82 2rg9 n ASN 35 N 4.38 -3.71 0.00 5.45 3.02 -1.26 -0.96 115.26 122.18 2rg9 n ASN 35 Ca -0.19 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 2rg9 n ASN 35 Cb 0.51 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 2rg9 n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2rg9 n ASN 36 N -2.70 -0.73 -4.51 6.41 5.03 -1.26 -5.02 115.26 112.48 2rg9 n ASN 36 Ca 0.07 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.18 2rg9 n ASN 36 Cb 0.50 -0.30 -0.12 0.00 -1.02 0.00 0.00 39.78 38.84 2rg9 n ASN 36 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2rg9 s ILE 37 N -3.36 4.11 0.55 2.41 1.01 -0.13 -5.04 121.20 120.74 2rg9 s ILE 37 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 2rg9 s ILE 37 Cb 0.00 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 2rg9 s ILE 37 CO 0.00 0.47 0.83 -2.65 0.00 0.00 0.00 174.94 173.58 2rg9 n PRO 38 N 3.75 0.86 -4.84 2.79 -0.02 -1.26 -1.02 135.00 135.26 2rg9 n PRO 38 Ca -0.17 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.33 2rg9 n PRO 38 Cb 0.52 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.88 2rg9 n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2rg9 s LEU 39 N -0.79 2.43 0.79 2.45 1.43 -0.65 -1.46 118.68 122.88 2rg9 s LEU 39 Ca 0.71 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 2rg9 s LEU 39 Cb -0.46 -1.44 0.07 0.00 0.03 0.00 0.00 46.19 44.40 2rg9 s LEU 39 CO 0.51 0.28 1.09 -0.76 0.23 0.00 0.00 176.35 177.70 2rg9 s LEU 40 N -1.20 2.88 0.76 1.79 1.43 0.02 -1.62 118.68 122.74 2rg9 s LEU 40 Ca 0.13 1.74 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 2rg9 s LEU 40 Cb -0.10 -4.39 0.05 0.00 0.03 0.00 0.00 46.19 41.78 2rg9 s LEU 40 CO 0.03 -2.12 1.18 -0.13 0.23 0.00 0.00 176.35 175.53 2rg9 s ARG 41 N -4.92 2.02 0.57 1.70 0.52 -1.25 -4.39 118.95 113.19 2rg9 s ARG 41 Ca 0.61 1.65 -0.19 0.00 -0.52 0.00 0.00 55.73 57.28 2rg9 s ARG 41 Cb -0.17 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 2rg9 s ARG 41 CO 0.56 -1.90 1.19 -0.65 0.02 0.00 0.00 175.30 174.52 2rg9 s GLN 42 N -4.12 3.10 0.00 3.54 -0.21 -1.26 -4.57 119.66 116.14 2rg9 s GLN 42 Ca 0.71 1.79 0.00 0.00 0.02 0.00 0.00 55.36 57.88 2rg9 s GLN 42 Cb -0.26 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.77 2rg9 s GLN 42 CO 0.48 -1.09 0.39 -1.13 -2.12 0.00 0.00 175.29 171.81 2rg9 n SER 43 N -1.45 0.96 -0.19 5.90 3.41 -1.26 -2.92 113.62 118.06 2rg9 n SER 43 Ca 0.13 -1.18 0.03 0.00 -0.26 0.00 0.00 58.87 57.59 2rg9 n SER 43 Cb 0.50 -0.30 0.07 0.00 -0.26 0.00 0.00 64.21 64.22 2rg9 n SER 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2rg9 n THR 44 N 0.36 1.20 -2.50 6.66 -2.24 -1.26 -4.93 114.28 111.56 2rg9 n THR 44 Ca 0.00 -1.23 -0.41 0.00 -2.27 0.00 0.00 64.05 60.14 2rg9 n THR 44 Cb 0.19 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2rg9 n THR 44 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2rg9 s ILE 45 N -1.38 3.65 0.53 2.28 -4.36 -1.15 -5.08 121.20 115.69 2rg9 s ILE 45 Ca 0.12 1.57 0.03 0.00 -0.26 0.00 0.00 60.65 62.11 2rg9 s ILE 45 Cb 0.08 -4.00 0.04 0.00 1.25 0.00 0.00 42.46 39.83 2rg9 s ILE 45 CO 0.04 0.33 0.73 -2.84 0.24 0.00 0.00 174.94 173.45 2rg9 s PRO 46 N -1.02 2.55 0.00 0.37 0.02 -1.26 -5.00 135.00 130.67 2rg9 s PRO 46 Ca 0.46 -0.97 0.00 0.00 0.02 0.00 0.00 61.00 60.52 2rg9 s PRO 46 Cb -0.31 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.65 2rg9 s PRO 46 CO 0.38 -0.65 0.44 1.55 -0.33 0.00 0.00 177.00 178.40 2rg9 n VAL 47 N -2.24 0.10 -1.95 3.83 3.14 -1.26 -3.26 118.33 116.70 2rg9 n VAL 47 Ca 0.09 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 2rg9 n VAL 47 Cb 0.60 1.16 0.00 0.00 -1.06 0.00 0.00 33.84 34.54 2rg9 n VAL 47 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2rg9 n SER 48 N -0.05 0.45 0.00 6.55 3.41 -1.26 -4.21 113.62 118.50 2rg9 n SER 48 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2rg9 n SER 48 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2rg9 n SER 48 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2rg9 n GLU 49 N 0.00 -0.31 0.00 4.33 2.13 -1.20 -5.04 120.64 120.54 2rg9 n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2rg9 n GLU 49 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2rg9 n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rg9 n ALA 50 N -0.37 0.00 -3.86 4.31 0.00 -1.26 -4.81 120.51 114.52 2rg9 n ALA 50 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2rg9 n ALA 50 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2rg9 n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2rg9 n SER 51 N 0.00 -4.74 0.17 0.00 7.64 -1.26 -4.93 113.62 110.50 2rg9 n SER 51 Ca 0.00 -1.06 0.04 0.00 1.01 0.00 0.00 58.87 58.86 2rg9 n SER 51 Cb 0.00 -1.95 0.28 0.00 -1.01 0.00 0.00 64.21 61.52 2rg9 n SER 51 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2rg9 h ARG 52 N -1.29 0.00 -5.76 1.43 9.65 -1.87 -3.48 114.38 113.07 2rg9 h ARG 52 Ca -0.64 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 57.75 2rg9 h ARG 52 Cb 1.38 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 29.75 2rg9 h ARG 52 CO 0.43 0.44 -0.80 -0.06 2.80 0.00 0.00 179.97 182.78 2rg9 s PHE 53 N -3.54 1.51 -0.03 2.20 0.08 -1.26 -1.90 117.98 115.04 2rg9 s PHE 53 Ca 0.00 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 56.68 2rg9 s PHE 53 Cb 0.11 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.71 2rg9 s PHE 53 CO 0.71 0.13 -0.24 0.54 -0.10 0.00 0.00 175.22 176.26 2rg9 s VAL 54 N -1.24 1.92 -0.21 -0.44 0.11 -0.17 -4.24 120.40 116.15 2rg9 s VAL 54 Ca 0.02 -1.02 -0.07 0.00 -2.93 0.00 0.00 61.98 57.98 2rg9 s VAL 54 Cb -0.10 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 2rg9 s VAL 54 CO 0.03 0.54 0.07 -0.76 -3.33 0.00 0.00 175.10 171.65 2rg9 s LEU 55 N -0.39 3.70 -0.20 2.54 1.43 0.07 -0.58 118.68 125.25 2rg9 s LEU 55 Ca 0.04 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2rg9 s LEU 55 Cb -0.11 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 2rg9 s LEU 55 CO 0.01 0.10 -0.02 0.68 0.23 0.00 0.00 176.35 177.35 2rg9 s VAL 56 N 0.79 3.70 -0.24 -1.59 -7.23 -0.35 0.11 120.40 115.58 2rg9 s VAL 56 Ca 0.04 -0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 59.75 2rg9 s VAL 56 Cb -0.13 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 2rg9 s VAL 56 CO 0.02 0.43 0.04 -0.70 -0.31 0.00 0.00 175.10 174.58 2rg9 s GLU 57 N 1.14 3.56 -0.17 4.82 2.12 0.11 -0.63 118.70 129.65 2rg9 s GLU 57 Ca 0.02 -0.53 -0.06 0.00 0.36 0.00 0.00 54.97 54.77 2rg9 s GLU 57 Cb -0.15 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2rg9 s GLU 57 CO 0.00 -0.20 0.02 -0.51 -0.54 0.00 0.00 175.26 174.03 2rg9 s LEU 58 N 1.58 3.57 -0.15 2.70 1.43 -0.60 -0.56 118.68 126.64 2rg9 s LEU 58 Ca 0.06 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2rg9 s LEU 58 Cb -0.15 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.21 2rg9 s LEU 58 CO 0.02 0.17 -0.12 -0.89 0.23 0.00 0.00 176.35 175.76 2rg9 s THR 59 N 0.37 1.45 0.89 5.49 2.01 -0.92 -1.87 115.64 123.06 2rg9 s THR 59 Ca -0.00 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 2rg9 s THR 59 Cb -0.13 -1.41 0.20 0.00 0.01 0.00 0.00 72.50 71.17 2rg9 s THR 59 CO 0.01 0.38 1.21 -0.46 -0.69 0.00 0.00 174.62 175.07 2rg9 n ASN 60 N 4.80 0.13 0.26 3.53 0.23 -0.45 -1.22 115.26 122.53 2rg9 n ASN 60 Ca -0.15 -1.46 0.09 0.00 -0.53 0.00 0.00 54.58 52.52 2rg9 n ASN 60 Cb 0.49 -0.92 0.65 0.00 -2.08 0.00 0.00 39.78 37.93 2rg9 n ASN 60 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2rg9 h GLU 61 N 0.00 0.00 -0.00 -3.83 -0.00 -1.88 -2.20 114.58 106.66 2rg9 h GLU 61 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 2rg9 h GLU 61 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 2rg9 h GLU 61 CO 0.28 0.05 -0.03 0.41 -0.00 0.00 0.00 179.01 179.72 2rg9 n GLY 62 N -1.36 -0.99 1.12 1.06 0.00 -1.26 -4.87 105.19 98.88 2rg9 n GLY 62 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2rg9 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rg9 n GLY 63 N 1.17 0.71 3.77 -0.02 0.00 -0.83 -5.04 105.19 104.94 2rg9 n GLY 63 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2rg9 n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rg9 s ASP 64 N -2.84 6.92 -0.01 1.61 1.01 -1.26 -4.83 116.67 117.27 2rg9 s ASP 64 Ca 0.00 2.54 0.01 0.00 0.71 0.00 0.00 52.55 55.81 2rg9 s ASP 64 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 2rg9 s ASP 64 CO 0.00 -0.41 -0.01 -0.44 0.21 0.00 0.00 175.17 174.51 2rg9 s SER 65 N -0.64 0.30 0.20 0.27 0.01 -1.26 -1.34 113.70 111.23 2rg9 s SER 65 Ca 0.48 -0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.76 2rg9 s SER 65 Cb -0.37 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 2rg9 s SER 65 CO 0.49 -0.02 -0.08 0.27 0.41 0.00 0.00 173.24 174.30 2rg9 s ILE 66 N 0.36 1.30 -0.10 1.44 -4.36 -0.78 -4.48 121.20 114.58 2rg9 s ILE 66 Ca -0.03 -2.09 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 2rg9 s ILE 66 Cb -0.06 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.60 2rg9 s ILE 66 CO -0.01 -0.56 -0.04 -0.89 0.24 0.00 0.00 174.94 173.69 2rg9 s THR 67 N -3.24 0.75 0.09 8.37 2.01 -0.59 -1.56 115.64 121.47 2rg9 s THR 67 Ca 0.22 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.93 2rg9 s THR 67 Cb 0.03 -0.84 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 2rg9 s THR 67 CO 0.05 0.30 0.50 0.00 -0.69 0.00 0.00 174.62 174.78 2rg9 s ALA 68 N 1.82 3.63 -0.24 7.40 0.00 0.20 -0.36 121.76 134.21 2rg9 s ALA 68 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 2rg9 s ALA 68 Cb -0.13 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2rg9 s ALA 68 CO -0.07 0.46 0.13 0.00 0.00 0.00 0.00 175.76 176.28 2rg9 s ALA 69 N -1.29 3.44 -0.19 0.00 0.00 0.11 -1.21 121.76 122.63 2rg9 s ALA 69 Ca 0.32 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2rg9 s ALA 69 Cb -0.16 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2rg9 s ALA 69 CO 0.18 -0.27 -0.12 0.42 0.00 0.00 0.00 175.76 175.97 2rg9 s ILE 70 N 1.21 2.83 0.01 0.00 1.01 0.25 0.01 121.20 126.52 2rg9 s ILE 70 Ca 0.06 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2rg9 s ILE 70 Cb -0.14 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 2rg9 s ILE 70 CO 0.05 0.49 1.69 -0.62 0.00 0.00 0.00 174.94 176.54 2rg9 s ASP 71 N 1.16 6.62 0.39 3.58 -1.08 0.14 -1.00 116.67 126.48 2rg9 s ASP 71 Ca 0.01 2.39 0.28 0.00 -0.52 0.00 0.00 52.55 54.72 2rg9 s ASP 71 Cb -0.14 -2.55 1.16 0.00 -1.46 0.00 0.00 42.92 39.93 2rg9 s ASP 71 CO -0.04 -0.92 1.83 -0.37 0.52 0.00 0.00 175.17 176.19 2rg9 h VAL 72 N 5.24 0.00 0.00 1.11 -1.51 -1.71 0.11 116.25 119.49 2rg9 h VAL 72 Ca -0.42 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 2rg9 h VAL 72 Cb 1.20 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2rg9 h VAL 72 CO 0.94 0.00 -0.29 0.35 -1.23 0.00 0.00 177.57 177.34 2rg9 n THR 73 N -2.61 0.44 -1.40 7.19 -2.24 -1.26 -4.16 114.28 110.23 2rg9 n THR 73 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2rg9 n THR 73 Cb 0.26 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2rg9 n THR 73 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2rg9 n ASN 74 N -2.13 0.00 -0.64 3.42 0.23 -1.12 -4.62 115.26 110.41 2rg9 n ASN 74 Ca 0.05 -1.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.01 2rg9 n ASN 74 Cb 0.43 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 2rg9 n ASN 74 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2rg9 n LEU 75 N 0.00 -0.02 -4.77 -4.53 4.77 0.36 -4.97 117.00 107.84 2rg9 n LEU 75 Ca 0.00 0.21 -0.40 0.00 -0.03 0.00 0.00 56.01 55.79 2rg9 n LEU 75 Cb 0.33 -2.60 -0.01 0.00 -2.33 0.00 0.00 43.42 38.80 2rg9 n LEU 75 CO 0.00 -1.02 0.97 -0.31 -1.33 0.00 0.00 177.39 175.70 2rg9 s TYR 76 N -1.73 2.92 -0.19 -1.77 1.51 -1.24 -4.73 117.35 112.12 2rg9 s TYR 76 Ca 0.00 1.41 -0.28 0.00 -1.01 0.00 0.00 57.07 57.19 2rg9 s TYR 76 Cb 0.00 -3.67 -0.00 0.00 -0.11 0.00 0.00 41.96 38.18 2rg9 s TYR 76 CO 0.00 -1.98 0.97 0.08 -1.11 0.00 0.00 175.55 173.51 2rg9 s VAL 77 N -1.21 4.76 -0.11 0.71 1.01 -1.26 -0.68 120.40 123.62 2rg9 s VAL 77 Ca 0.53 1.90 0.15 0.00 0.00 0.00 0.00 61.98 64.57 2rg9 s VAL 77 Cb -0.39 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.52 2rg9 s VAL 77 CO 0.50 -0.08 0.17 1.33 0.00 0.00 0.00 175.10 177.03 2rg9 n VAL 78 N 5.01 0.67 -3.72 2.92 0.24 0.10 -4.70 118.33 118.85 2rg9 n VAL 78 Ca 0.09 -0.56 -0.06 0.00 -2.04 0.00 0.00 64.34 61.77 2rg9 n VAL 78 Cb 0.47 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.51 2rg9 n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rg9 s ALA 79 N -2.68 -1.55 0.04 2.33 0.00 -1.22 -1.60 121.76 117.09 2rg9 s ALA 79 Ca -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2rg9 s ALA 79 Cb 0.07 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 2rg9 s ALA 79 CO 0.66 -0.97 0.00 1.52 0.00 0.00 0.00 175.76 176.98 2rg9 s TYR 80 N -3.49 0.35 -0.13 0.00 1.13 -0.68 0.06 117.35 114.59 2rg9 s TYR 80 Ca 0.10 -0.74 0.01 0.00 -1.41 0.00 0.00 57.07 55.03 2rg9 s TYR 80 Cb -0.03 -0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.57 2rg9 s TYR 80 CO 0.01 -0.32 -0.17 -1.14 -2.51 0.00 0.00 175.55 171.42 2rg9 s GLN 81 N -2.77 3.23 -0.10 -3.49 -0.44 0.52 -1.34 119.66 115.27 2rg9 s GLN 81 Ca -0.04 -0.76 0.00 0.00 -2.50 0.00 0.00 55.36 52.06 2rg9 s GLN 81 Cb -0.00 -2.54 0.02 0.00 -1.64 0.00 0.00 33.01 28.85 2rg9 s GLN 81 CO -0.06 0.14 -0.08 0.00 0.50 0.00 0.00 175.29 175.79 2rg9 s ALA 82 N 0.51 1.27 0.00 1.58 0.00 -0.42 -1.54 121.76 123.16 2rg9 s ALA 82 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2rg9 s ALA 82 Cb -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2rg9 s ALA 82 CO 0.05 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2rg9 n GLY 83 N 4.74 3.43 0.57 0.00 0.00 -1.26 -1.27 105.19 111.40 2rg9 n GLY 83 Ca -0.14 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2rg9 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rg9 n GLN 84 N 9.96 2.24 -4.27 1.61 0.00 -1.26 -5.00 117.38 120.66 2rg9 n GLN 84 Ca 0.00 -2.75 -0.30 0.00 0.00 0.00 0.00 57.00 53.95 2rg9 n GLN 84 Cb 0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 30.24 28.44 2rg9 n GLN 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2rg9 s GLN 85 N -2.86 2.34 -0.01 2.61 -1.52 -0.40 -1.20 119.66 118.62 2rg9 s GLN 85 Ca 0.38 -0.90 0.05 0.00 -1.95 0.00 0.00 55.36 52.94 2rg9 s GLN 85 Cb 0.32 -2.41 -0.01 0.00 -0.22 0.00 0.00 33.01 30.69 2rg9 s GLN 85 CO 0.06 0.54 -0.16 -1.12 -0.25 0.00 0.00 175.29 174.36 2rg9 s SER 86 N -2.01 1.88 -0.06 5.90 0.01 0.59 -1.30 113.70 118.70 2rg9 s SER 86 Ca 0.21 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2rg9 s SER 86 Cb -0.11 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.93 2rg9 s SER 86 CO 0.13 0.19 -0.12 -0.31 0.41 0.00 0.00 173.24 173.53 2rg9 s TYR 87 N -0.42 1.41 -0.14 2.43 1.51 -0.45 -0.19 117.35 121.49 2rg9 s TYR 87 Ca 0.06 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2rg9 s TYR 87 Cb -0.06 -1.02 -0.00 0.00 -0.11 0.00 0.00 41.96 40.76 2rg9 s TYR 87 CO -0.00 -0.24 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.96 2rg9 s PHE 88 N 0.56 2.73 0.50 2.71 0.40 0.57 -1.69 117.98 123.76 2rg9 s PHE 88 Ca -0.12 -1.05 -0.21 0.00 -0.60 0.00 0.00 56.93 54.95 2rg9 s PHE 88 Cb -0.15 -1.85 -0.06 0.00 0.51 0.00 0.00 43.02 41.47 2rg9 s PHE 88 CO 0.03 -0.46 1.17 -0.51 0.70 0.00 0.00 175.22 176.15 2rg9 s LEU 89 N 0.69 3.89 0.43 -0.37 1.02 -0.63 -0.55 118.68 123.16 2rg9 s LEU 89 Ca -0.08 2.30 -0.25 0.00 0.02 0.00 0.00 54.13 56.12 2rg9 s LEU 89 Cb -0.16 -4.38 -0.10 0.00 0.02 0.00 0.00 46.19 41.58 2rg9 s LEU 89 CO 0.02 -1.11 1.20 1.17 0.02 0.00 0.00 176.35 177.65 2rg9 n LYS 90 N -0.86 1.73 -1.25 1.70 4.81 0.44 -2.07 118.16 122.66 2rg9 n LYS 90 Ca 0.09 0.62 -0.08 0.00 -0.87 0.00 0.00 58.31 58.07 2rg9 n LYS 90 Cb 0.49 -2.30 -0.04 0.00 0.02 0.00 0.00 35.03 33.21 2rg9 n LYS 90 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2rg9 n ASP 91 N 0.20 -4.22 -4.71 3.14 10.43 -1.26 -3.90 116.55 116.23 2rg9 n ASP 91 Ca 0.08 0.21 -0.33 0.00 2.57 0.00 0.00 54.79 57.31 2rg9 n ASP 91 Cb 0.40 -2.46 0.12 0.00 1.84 0.00 0.00 41.12 41.01 2rg9 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2rg9 s ALA 92 N -2.25 1.91 0.25 2.24 0.00 -0.88 -4.89 121.76 118.14 2rg9 s ALA 92 Ca 0.00 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 2rg9 s ALA 92 Cb 0.00 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 2rg9 s ALA 92 CO 0.00 -2.17 1.67 -2.14 0.00 0.00 0.00 175.76 173.12 2rg9 s PRO 93 N -4.16 4.11 0.08 0.00 0.02 -1.26 -4.86 135.00 128.93 2rg9 s PRO 93 Ca 0.72 2.61 -0.36 0.00 0.02 0.00 0.00 61.00 63.99 2rg9 s PRO 93 Cb -0.27 -3.04 -0.16 0.00 0.02 0.00 0.00 34.50 31.04 2rg9 s PRO 93 CO 0.50 -0.71 1.40 2.89 -0.33 0.00 0.00 177.00 180.75 2rg9 n ARG 94 N 3.12 1.31 -0.63 5.54 0.00 -1.26 -1.28 116.66 123.47 2rg9 n ARG 94 Ca 0.12 0.47 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2rg9 n ARG 94 Cb 0.36 -2.14 0.00 0.00 -0.00 0.00 0.00 32.46 30.68 2rg9 n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2rg9 n GLY 95 N 2.76 0.68 0.19 2.89 0.00 -1.26 -4.78 105.19 105.67 2rg9 n GLY 95 Ca 0.19 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 2rg9 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rg9 h ALA 96 N 0.00 0.26 -0.75 4.61 0.00 -1.36 -3.15 119.26 118.87 2rg9 h ALA 96 Ca 0.00 -0.52 0.19 0.00 0.00 0.00 0.00 54.91 54.57 2rg9 h ALA 96 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2rg9 h ALA 96 CO 0.00 0.49 0.52 0.93 0.00 0.00 0.00 179.25 181.19 2rg9 h GLU 97 N 0.30 0.19 0.00 0.00 4.39 -1.88 0.31 114.58 117.89 2rg9 h GLU 97 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2rg9 h GLU 97 Cb 1.20 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2rg9 h GLU 97 CO 0.12 0.12 -0.56 0.00 -1.16 0.00 0.00 179.01 177.53 2rg9 h THR 98 N 0.19 0.00 0.00 1.13 1.03 -1.96 -3.37 112.91 109.93 2rg9 h THR 98 Ca 0.37 -0.68 -0.29 0.00 -0.01 0.00 0.00 66.41 65.79 2rg9 h THR 98 Cb 1.17 1.35 -0.05 0.00 -1.07 0.00 0.00 68.15 69.55 2rg9 h THR 98 CO -0.07 0.00 -2.10 0.00 -0.01 0.00 0.00 175.52 173.34 2rg9 n GLN 99 N -2.40 1.03 -3.30 0.00 1.13 -0.18 -4.92 117.38 108.73 2rg9 n GLN 99 Ca 0.03 0.05 -0.38 0.00 -1.94 0.00 0.00 57.00 54.75 2rg9 n GLN 99 Cb 0.48 -1.40 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 2rg9 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2rg9 s ASP 100 N -5.37 6.63 -0.97 1.08 1.01 0.92 -4.53 116.67 115.44 2rg9 s ASP 100 Ca -0.16 0.75 -0.07 0.00 0.71 0.00 0.00 52.55 53.78 2rg9 s ASP 100 Cb 0.06 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2rg9 s ASP 100 CO 0.56 -0.06 0.82 0.49 0.21 0.00 0.00 175.17 177.19 2rg9 n PHE 101 N 4.04 -2.50 -2.15 4.23 3.72 -1.26 -4.82 117.46 118.72 2rg9 n PHE 101 Ca -0.06 0.86 -0.42 0.00 -0.05 0.00 0.00 57.45 57.78 2rg9 n PHE 101 Cb 0.51 -3.94 -0.03 0.00 -0.94 0.00 0.00 39.48 35.09 2rg9 n PHE 101 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2rg9 s THR 102 N -3.27 3.21 0.00 4.37 -1.32 -1.26 -3.50 115.64 113.87 2rg9 s THR 102 Ca 0.31 0.88 0.00 0.00 -1.21 0.00 0.00 61.69 61.67 2rg9 s THR 102 Cb -0.06 -3.57 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 2rg9 s THR 102 CO 0.77 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.87 2rg9 n GLY 103 N 3.38 1.24 3.24 6.08 0.00 -1.26 -5.10 105.19 112.77 2rg9 n GLY 103 Ca 0.11 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 2rg9 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rg9 s THR 104 N -2.11 1.20 -0.18 2.61 -4.23 -1.23 -5.00 115.64 106.70 2rg9 s THR 104 Ca 0.00 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.34 2rg9 s THR 104 Cb 0.00 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2rg9 s THR 104 CO 0.00 -0.60 1.49 -0.89 -0.54 0.00 0.00 174.62 174.08 2rg9 s THR 105 N -2.78 3.88 -0.05 3.99 2.01 -0.34 -4.82 115.64 117.54 2rg9 s THR 105 Ca 0.12 1.03 -0.13 0.00 0.31 0.00 0.00 61.69 63.03 2rg9 s THR 105 Cb -0.01 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2rg9 s THR 105 CO 0.01 -0.22 0.33 -0.13 -0.69 0.00 0.00 174.62 173.92 2rg9 s ARG 106 N 4.15 3.85 0.07 4.92 0.52 -1.26 -0.30 118.95 130.90 2rg9 s ARG 106 Ca 0.65 0.24 0.02 0.00 -0.52 0.00 0.00 55.73 56.12 2rg9 s ARG 106 Cb -0.25 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2rg9 s ARG 106 CO 0.25 0.65 -0.07 -1.12 0.02 0.00 0.00 175.30 175.03 2rg9 s SER 107 N -0.84 0.96 -0.11 0.23 0.01 0.73 -4.93 113.70 109.74 2rg9 s SER 107 Ca 0.21 -0.79 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 2rg9 s SER 107 Cb -0.15 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2rg9 s SER 107 CO 0.10 -0.35 -0.01 -0.44 0.41 0.00 0.00 173.24 172.95 2rg9 s SER 108 N -2.33 5.12 0.16 2.44 0.01 -1.26 -0.31 113.70 117.52 2rg9 s SER 108 Ca 0.01 0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.25 2rg9 s SER 108 Cb -0.02 -1.57 -0.06 0.00 0.21 0.00 0.00 66.02 64.58 2rg9 s SER 108 CO -0.03 0.31 0.46 -0.76 0.41 0.00 0.00 173.24 173.63 2rg9 s LEU 109 N -0.46 4.25 0.00 2.44 1.43 0.28 -4.88 118.68 121.74 2rg9 s LEU 109 Ca 0.08 0.79 0.17 0.00 -1.03 0.00 0.00 54.13 54.14 2rg9 s LEU 109 Cb -0.12 -3.38 0.90 0.00 0.03 0.00 0.00 46.19 43.62 2rg9 s LEU 109 CO 0.02 0.04 1.51 -2.65 0.23 0.00 0.00 176.35 175.50 2rg9 n PRO 110 N 0.23 0.28 -4.25 1.29 -0.02 -1.26 -3.04 135.00 128.23 2rg9 n PRO 110 Ca -0.03 0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.37 2rg9 n PRO 110 Cb 0.52 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 2rg9 n PRO 110 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2rg9 s PHE 111 N -2.51 1.49 0.65 6.00 -0.12 -1.26 -4.86 117.98 117.37 2rg9 s PHE 111 Ca 0.18 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.57 2rg9 s PHE 111 Cb 0.12 -0.78 0.12 0.00 -0.63 0.00 0.00 43.02 41.85 2rg9 s PHE 111 CO 0.26 0.17 0.89 0.27 -0.05 0.00 0.00 175.22 176.77 2rg9 n ASN 112 N 0.61 1.56 -0.23 1.98 0.23 -1.25 -0.42 115.26 117.74 2rg9 n ASN 112 Ca -0.16 -2.24 0.14 0.00 -0.53 0.00 0.00 54.58 51.79 2rg9 n ASN 112 Cb 0.56 -0.55 0.69 0.00 -2.08 0.00 0.00 39.78 38.40 2rg9 n ASN 112 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2rg9 n GLY 113 N -2.18 -0.50 3.74 4.83 0.00 -1.26 -3.84 105.19 105.99 2rg9 n GLY 113 Ca 0.16 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2rg9 n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rg9 s SER 114 N -1.90 6.67 0.19 1.61 1.04 -1.26 -4.77 113.70 115.27 2rg9 s SER 114 Ca 0.40 2.65 -0.13 0.00 0.48 0.00 0.00 55.95 59.35 2rg9 s SER 114 Cb 0.20 -2.62 0.20 0.00 0.10 0.00 0.00 66.02 63.90 2rg9 s SER 114 CO 0.33 -0.69 1.68 1.88 0.98 0.00 0.00 173.24 177.42 2rg9 h TYR 115 N 5.07 -0.04 -0.43 5.02 0.05 -1.98 0.22 116.97 124.88 2rg9 h TYR 115 Ca -0.46 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.37 2rg9 h TYR 115 Cb 1.22 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 39.03 2rg9 h TYR 115 CO 0.60 -0.12 0.27 -1.35 -1.05 0.00 0.00 178.16 176.51 2rg9 h PRO 116 N 0.11 0.53 0.20 4.88 0.11 -1.97 -0.19 132.00 135.67 2rg9 h PRO 116 Ca 0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 2rg9 h PRO 116 Cb 0.39 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2rg9 h PRO 116 CO -0.43 0.35 -0.09 0.22 -0.21 0.00 0.00 178.00 177.84 2rg9 h ASP 117 N 0.55 -0.22 -0.97 -2.05 3.58 -1.71 -2.62 116.42 112.98 2rg9 h ASP 117 Ca 0.17 -0.28 0.15 0.00 0.42 0.00 0.00 57.03 57.49 2rg9 h ASP 117 Cb -0.03 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 40.98 2rg9 h ASP 117 CO -0.06 0.20 0.59 0.25 -2.88 0.00 0.00 179.24 177.34 2rg9 h LEU 118 N -0.70 0.80 -1.27 2.28 5.85 -0.54 0.04 115.31 121.77 2rg9 h LEU 118 Ca -0.03 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2rg9 h LEU 118 Cb 0.49 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2rg9 h LEU 118 CO 0.04 0.36 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.90 2rg9 h GLU 119 N 0.83 0.00 -0.52 1.25 5.08 -0.97 0.18 114.58 120.44 2rg9 h GLU 119 Ca 0.52 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.96 2rg9 h GLU 119 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2rg9 h GLU 119 CO -0.33 0.27 0.35 0.00 -1.00 0.00 0.00 179.01 178.30 2rg9 h ARG 120 N 0.00 0.34 0.02 2.33 3.08 -0.59 0.89 114.38 120.45 2rg9 h ARG 120 Ca -0.00 -0.02 -0.38 0.00 0.07 0.00 0.00 59.98 59.65 2rg9 h ARG 120 Cb 0.69 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 2rg9 h ARG 120 CO 0.03 0.23 -2.35 0.66 -1.07 0.00 0.00 179.97 177.47 2rg9 n TYR 121 N -4.47 0.22 0.02 3.04 4.02 -0.77 -4.62 117.16 114.61 2rg9 n TYR 121 Ca 0.08 0.05 -0.06 0.00 -0.01 0.00 0.00 57.90 57.96 2rg9 n TYR 121 Cb 0.33 -1.03 -0.11 0.00 -0.02 0.00 0.00 39.34 38.51 2rg9 n TYR 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2rg9 h ALA 122 N 0.30 0.64 0.00 -0.72 0.00 -0.60 -3.39 119.26 115.50 2rg9 h ALA 122 Ca -0.54 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.23 2rg9 h ALA 122 Cb 2.01 0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.05 2rg9 h ALA 122 CO -0.03 1.31 0.00 0.41 0.00 0.00 0.00 179.25 180.94 2rg9 n GLY 123 N 1.45 0.45 3.71 0.00 0.00 0.30 -4.70 105.19 106.39 2rg9 n GLY 123 Ca -0.10 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2rg9 n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rg9 s HIS 124 N -1.24 3.28 0.36 1.61 3.76 -1.26 -4.52 115.29 117.27 2rg9 s HIS 124 Ca 0.00 1.09 0.17 0.00 -0.15 0.00 0.00 55.06 56.17 2rg9 s HIS 124 Cb 0.00 -3.56 1.14 0.00 1.11 0.00 0.00 32.58 31.27 2rg9 s HIS 124 CO 0.00 -1.89 1.66 0.00 -0.85 0.00 0.00 174.74 173.66 2rg9 h ARG 125 N 6.93 0.28 0.00 1.40 3.08 -1.94 -0.65 114.38 123.48 2rg9 h ARG 125 Ca -0.41 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2rg9 h ARG 125 Cb 1.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2rg9 h ARG 125 CO 0.85 0.19 0.00 -0.40 -1.07 0.00 0.00 179.97 179.53 2rg9 n ASP 126 N -5.00 0.00 0.00 7.04 5.68 -1.26 -2.39 116.55 120.62 2rg9 n ASP 126 Ca 0.32 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 2rg9 n ASP 126 Cb 1.04 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.00 2rg9 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rg9 n GLN 127 N -1.02 1.24 -3.69 0.11 6.02 -0.26 -4.85 117.38 114.93 2rg9 n GLN 127 Ca 0.16 -1.01 -0.39 0.00 -0.01 0.00 0.00 57.00 55.75 2rg9 n GLN 127 Cb 0.08 -0.95 -0.11 0.00 1.02 0.00 0.00 30.24 30.28 2rg9 n GLN 127 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2rg9 s ILE 128 N -0.53 3.94 0.66 5.09 1.01 -1.00 -5.01 121.20 125.35 2rg9 s ILE 128 Ca 0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 60.65 59.16 2rg9 s ILE 128 Cb 0.00 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 2rg9 s ILE 128 CO 0.00 -0.36 1.25 -2.65 0.00 0.00 0.00 174.94 173.18 2rg9 n PRO 129 N 4.84 1.03 -4.46 2.79 -0.02 -1.26 -4.69 135.00 133.22 2rg9 n PRO 129 Ca -0.10 0.41 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 2rg9 n PRO 129 Cb 0.44 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 2rg9 n PRO 129 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2rg9 s LEU 130 N -4.16 2.53 0.00 2.45 1.43 0.14 -4.90 118.68 116.17 2rg9 s LEU 130 Ca 0.82 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2rg9 s LEU 130 Cb -0.38 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.13 2rg9 s LEU 130 CO 0.41 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2rg9 n GLY 131 N -0.64 0.79 0.32 -3.19 0.00 -1.26 -1.01 105.19 100.20 2rg9 n GLY 131 Ca -0.05 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.01 2rg9 n GLY 131 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2rg9 h ILE 132 N 0.00 1.25 -0.94 -0.61 6.09 -1.87 -1.71 117.51 119.72 2rg9 h ILE 132 Ca 0.00 -0.93 -0.01 0.00 -1.37 0.00 0.00 64.86 62.55 2rg9 h ILE 132 Cb 0.00 0.57 -0.05 0.00 0.47 0.00 0.00 36.82 37.82 2rg9 h ILE 132 CO 0.00 0.36 0.56 0.44 -3.07 0.00 0.00 178.15 176.43 2rg9 h ASP 133 N 0.99 1.14 0.91 2.19 3.32 -1.91 -0.29 116.42 122.77 2rg9 h ASP 133 Ca 0.21 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 2rg9 h ASP 133 Cb 0.35 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2rg9 h ASP 133 CO 0.00 0.88 -0.63 1.56 -1.72 0.00 0.00 179.24 179.33 2rg9 h GLN 134 N 1.30 0.00 -0.09 3.56 7.50 -1.79 0.51 115.11 126.10 2rg9 h GLN 134 Ca 0.34 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.41 2rg9 h GLN 134 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.49 2rg9 h GLN 134 CO -0.06 0.63 -0.26 1.25 -1.50 0.00 0.00 178.83 178.90 2rg9 h LEU 135 N 0.00 0.38 -0.43 1.46 5.85 -1.04 -0.54 115.31 121.00 2rg9 h LEU 135 Ca -0.01 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.14 2rg9 h LEU 135 Cb 1.26 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2rg9 h LEU 135 CO 0.08 0.91 0.23 0.40 -0.34 0.00 0.00 178.44 179.72 2rg9 h ILE 136 N -0.13 1.00 -0.22 4.05 2.04 -0.88 -2.54 117.51 120.84 2rg9 h ILE 136 Ca -0.01 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 2rg9 h ILE 136 Cb 0.87 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2rg9 h ILE 136 CO 0.06 0.08 -0.26 1.56 0.00 0.00 0.00 178.15 179.59 2rg9 h GLN 137 N 0.46 0.43 -0.43 2.37 4.20 -0.90 -2.80 115.11 118.44 2rg9 h GLN 137 Ca 0.18 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 2rg9 h GLN 137 Cb 0.06 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2rg9 h GLN 137 CO -0.11 0.66 -0.10 0.77 -0.67 0.00 0.00 178.83 179.38 2rg9 h SER 138 N 0.38 0.75 0.03 1.46 0.02 -0.77 0.59 113.55 116.02 2rg9 h SER 138 Ca 0.05 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2rg9 h SER 138 Cb 0.66 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2rg9 h SER 138 CO 0.05 0.88 -0.02 0.58 -1.14 0.00 0.00 176.83 177.19 2rg9 h VAL 139 N 0.70 1.08 -0.21 2.27 2.07 -1.26 -1.58 116.25 119.32 2rg9 h VAL 139 Ca 0.12 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.32 2rg9 h VAL 139 Cb 0.57 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2rg9 h VAL 139 CO 0.04 0.09 -0.00 0.74 0.02 0.00 0.00 177.57 178.45 2rg9 h THR 140 N -0.20 0.85 -0.69 2.57 2.02 -1.36 0.68 112.91 116.79 2rg9 h THR 140 Ca -0.00 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.18 2rg9 h THR 140 Cb 0.18 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2rg9 h THR 140 CO 0.01 0.01 0.46 0.00 0.37 0.00 0.00 175.52 176.37 2rg9 h ALA 141 N 1.18 1.56 0.00 6.16 0.00 -0.78 -2.66 119.26 124.72 2rg9 h ALA 141 Ca 0.10 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2rg9 h ALA 141 Cb 0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2rg9 h ALA 141 CO -0.17 0.39 -1.40 -0.07 0.00 0.00 0.00 179.25 178.00 2rg9 h LEU 142 N 0.88 0.00 -0.71 0.00 3.38 -1.10 -3.38 115.31 114.38 2rg9 h LEU 142 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2rg9 h LEU 142 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2rg9 h LEU 142 CO -0.07 0.93 0.37 -0.09 0.09 0.00 0.00 178.44 179.67 2rg9 h ARG 143 N 0.00 1.01 -5.40 1.13 9.65 -0.50 -3.43 114.38 116.84 2rg9 h ARG 143 Ca -0.18 -0.13 -0.63 0.00 -1.10 0.00 0.00 59.98 57.94 2rg9 h ARG 143 Cb 1.86 -0.19 -0.18 0.00 -1.39 0.00 0.00 29.97 30.07 2rg9 h ARG 143 CO 0.09 0.77 -0.62 -0.06 2.80 0.00 0.00 179.97 182.95 2rg9 s PHE 144 N -5.79 3.14 0.71 2.20 0.08 -1.18 -4.53 117.98 112.62 2rg9 s PHE 144 Ca -0.13 -0.06 -0.15 0.00 0.12 0.00 0.00 56.93 56.71 2rg9 s PHE 144 Cb 0.14 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2rg9 s PHE 144 CO 0.80 0.13 1.19 -2.14 -0.10 0.00 0.00 175.22 175.10 2rg9 s PRO 145 N 0.15 2.30 0.00 0.24 0.02 -1.26 -4.20 135.00 132.25 2rg9 s PRO 145 Ca 0.02 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.75 2rg9 s PRO 145 Cb -0.13 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2rg9 s PRO 145 CO 0.02 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.39 2rg9 n GLY 146 N 0.27 1.67 3.74 0.52 0.00 -1.26 -5.11 105.19 105.02 2rg9 n GLY 146 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2rg9 n GLY 146 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rg9 s GLY 147 N -1.73 2.77 0.94 -0.02 0.00 -1.26 -5.01 107.32 103.01 2rg9 s GLY 147 Ca 0.00 1.12 -0.12 0.00 0.00 0.00 0.00 44.72 45.72 2rg9 s GLY 147 CO 0.00 1.53 1.09 -1.35 0.00 0.00 0.00 173.10 174.37 2rg9 s SER 148 N -1.52 3.13 0.20 1.64 1.04 -1.26 -4.88 113.70 112.05 2rg9 s SER 148 Ca 0.80 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 58.48 2rg9 s SER 148 Cb -0.34 -2.02 0.13 0.00 0.10 0.00 0.00 66.02 63.89 2rg9 s SER 148 CO 0.38 -2.83 1.77 0.74 0.98 0.00 0.00 173.24 174.27 2rg9 h THR 149 N -1.68 1.25 -0.60 2.02 2.02 -1.97 -2.08 112.91 111.87 2rg9 h THR 149 Ca -0.52 -0.75 0.07 0.00 0.77 0.00 0.00 66.41 65.98 2rg9 h THR 149 Cb 1.30 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 2rg9 h THR 149 CO 0.56 0.31 0.28 -0.09 0.37 0.00 0.00 175.52 176.94 2rg9 h ARG 150 N 1.03 0.49 -0.56 6.66 2.43 -1.93 0.13 114.38 122.64 2rg9 h ARG 150 Ca 0.24 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2rg9 h ARG 150 Cb 0.19 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2rg9 h ARG 150 CO -0.02 0.33 0.12 1.15 -1.51 0.00 0.00 179.97 180.03 2rg9 h THR 151 N 0.51 1.23 -0.15 0.20 2.02 -1.80 -0.55 112.91 114.37 2rg9 h THR 151 Ca 0.29 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 2rg9 h THR 151 Cb 0.27 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2rg9 h THR 151 CO -0.24 0.32 0.05 1.56 0.37 0.00 0.00 175.52 177.59 2rg9 h GLN 152 N 0.83 0.24 -0.31 6.66 4.20 -0.55 -1.45 115.11 124.72 2rg9 h GLN 152 Ca 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2rg9 h GLN 152 Cb 0.33 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2rg9 h GLN 152 CO 0.00 0.35 0.18 0.00 -0.67 0.00 0.00 178.83 178.70 2rg9 h ALA 153 N 0.87 0.40 -0.44 3.87 0.00 -0.54 -1.64 119.26 121.78 2rg9 h ALA 153 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2rg9 h ALA 153 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2rg9 h ALA 153 CO -0.00 -0.09 0.29 -0.09 0.00 0.00 0.00 179.25 179.36 2rg9 h ARG 154 N 0.40 0.57 -0.64 0.00 2.43 -1.09 0.90 114.38 116.95 2rg9 h ARG 154 Ca 0.11 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2rg9 h ARG 154 Cb 0.03 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2rg9 h ARG 154 CO -0.02 0.38 0.20 0.77 -1.51 0.00 0.00 179.97 179.79 2rg9 h SER 155 N 0.59 0.91 -0.40 -3.80 0.02 -1.06 -0.99 113.55 108.82 2rg9 h SER 155 Ca 0.16 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 2rg9 h SER 155 Cb -0.06 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2rg9 h SER 155 CO -0.04 0.85 -0.33 0.40 -1.14 0.00 0.00 176.83 176.57 2rg9 h ILE 156 N 0.95 1.27 -0.94 3.27 2.04 -0.88 -2.00 117.51 121.22 2rg9 h ILE 156 Ca 0.21 -1.50 0.05 0.00 1.00 0.00 0.00 64.86 64.62 2rg9 h ILE 156 Cb 0.27 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2rg9 h ILE 156 CO -0.01 0.50 0.60 0.25 0.00 0.00 0.00 178.15 179.50 2rg9 h LEU 157 N 0.74 0.98 -0.53 1.44 5.85 -0.33 0.22 115.31 123.68 2rg9 h LEU 157 Ca 0.07 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2rg9 h LEU 157 Cb 0.92 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2rg9 h LEU 157 CO 0.09 0.64 0.01 0.40 -0.34 0.00 0.00 178.44 179.24 2rg9 h ILE 158 N 1.12 1.26 -0.21 4.05 2.04 -1.03 -2.26 117.51 122.50 2rg9 h ILE 158 Ca 0.39 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2rg9 h ILE 158 Cb 0.10 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2rg9 h ILE 158 CO -0.15 0.38 0.08 -0.07 0.00 0.00 0.00 178.15 178.39 2rg9 h LEU 159 N 0.79 0.29 -0.67 1.44 4.07 -0.60 -1.68 115.31 118.95 2rg9 h LEU 159 Ca 0.15 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.98 2rg9 h LEU 159 Cb 0.51 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.12 2rg9 h LEU 159 CO 0.02 0.39 0.39 0.40 -1.08 0.00 0.00 178.44 178.57 2rg9 h ILE 160 N 0.18 1.02 -0.10 1.22 2.04 -0.54 0.00 117.51 121.33 2rg9 h ILE 160 Ca 0.07 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.48 2rg9 h ILE 160 Cb 0.19 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2rg9 h ILE 160 CO -0.00 0.14 -0.75 1.56 0.00 0.00 0.00 178.15 179.09 2rg9 h GLN 161 N 0.74 0.54 -0.00 2.37 4.20 -1.31 0.14 115.11 121.79 2rg9 h GLN 161 Ca 0.29 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2rg9 h GLN 161 Cb 0.12 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2rg9 h GLN 161 CO -0.15 1.07 -0.31 -1.33 -0.67 0.00 0.00 178.83 177.44 2rg9 n MET 162 N -3.87 0.28 0.01 1.46 2.81 -0.64 -3.23 117.12 113.94 2rg9 n MET 162 Ca -0.05 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 2rg9 n MET 162 Cb 0.73 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 2rg9 n MET 162 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2rg9 n ILE 163 N -1.24 0.19 -0.14 2.02 5.41 -0.03 -4.57 119.36 121.00 2rg9 n ILE 163 Ca 0.08 0.06 -0.09 0.00 1.00 0.00 0.00 62.75 63.81 2rg9 n ILE 163 Cb 0.33 -1.05 -0.00 0.00 -0.71 0.00 0.00 39.64 38.21 2rg9 n ILE 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2rg9 h SER 164 N 0.00 0.54 0.07 4.38 0.02 -1.23 -1.26 113.55 116.07 2rg9 h SER 164 Ca 0.00 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 2rg9 h SER 164 Cb 0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2rg9 h SER 164 CO 0.00 0.52 -0.50 -0.33 -1.14 0.00 0.00 176.83 175.38 2rg9 h GLU 165 N 0.52 0.48 0.00 3.45 4.39 -0.90 -1.77 114.58 120.74 2rg9 h GLU 165 Ca 0.14 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2rg9 h GLU 165 Cb 0.13 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2rg9 h GLU 165 CO -0.02 0.87 -0.46 0.00 -1.16 0.00 0.00 179.01 178.24 2rg9 h ALA 166 N 1.08 1.08 -0.46 3.43 0.00 -1.51 -0.70 119.26 122.18 2rg9 h ALA 166 Ca 0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2rg9 h ALA 166 Cb 1.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2rg9 h ALA 166 CO 0.09 0.58 -0.25 0.00 0.00 0.00 0.00 179.25 179.67 2rg9 h ALA 167 N 1.54 0.68 -0.08 0.00 0.00 -0.77 -3.26 119.26 117.38 2rg9 h ALA 167 Ca -0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 2rg9 h ALA 167 Cb 0.91 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2rg9 h ALA 167 CO 0.06 0.68 -0.84 0.00 0.00 0.00 0.00 179.25 179.15 2rg9 h ARG 168 N 0.83 0.59 -4.39 0.00 3.08 -1.01 -3.40 114.38 110.08 2rg9 h ARG 168 Ca 0.10 -0.53 -0.53 0.00 0.07 0.00 0.00 59.98 59.09 2rg9 h ARG 168 Cb 0.83 0.13 -0.35 0.00 0.08 0.00 0.00 29.97 30.66 2rg9 h ARG 168 CO 0.07 1.15 -0.81 -0.06 -1.07 0.00 0.00 179.97 179.26 2rg9 s PHE 169 N -3.55 1.51 0.32 3.04 0.08 -0.30 -0.40 117.98 118.68 2rg9 s PHE 169 Ca -0.08 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.31 2rg9 s PHE 169 Cb 0.09 -1.18 0.54 0.00 -0.57 0.00 0.00 43.02 41.90 2rg9 s PHE 169 CO 0.88 -0.42 1.90 -0.91 -0.10 0.00 0.00 175.22 176.57 2rg9 h ASN 170 N 7.63 0.66 0.02 1.36 2.35 -1.14 -0.84 115.58 125.62 2rg9 h ASN 170 Ca -0.31 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 2rg9 h ASN 170 Cb 1.16 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 2rg9 h ASN 170 CO 0.45 0.62 -0.09 -0.65 -1.65 0.00 0.00 177.43 176.11 2rg9 h PRO 171 N 0.71 0.18 -0.01 0.81 0.11 -1.90 0.18 132.00 132.08 2rg9 h PRO 171 Ca 0.17 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 2rg9 h PRO 171 Cb 0.20 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.28 2rg9 h PRO 171 CO -0.01 0.28 -0.29 0.82 -0.21 0.00 0.00 178.00 178.59 2rg9 h ILE 172 N 0.17 1.52 -0.36 4.15 2.04 -1.74 -1.97 117.51 121.33 2rg9 h ILE 172 Ca 0.04 -1.94 0.07 0.00 1.00 0.00 0.00 64.86 64.03 2rg9 h ILE 172 Cb 0.27 2.71 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 2rg9 h ILE 172 CO 0.01 0.53 -0.05 0.25 0.00 0.00 0.00 178.15 178.90 2rg9 h LEU 173 N -0.44 -0.26 -0.81 1.44 5.85 -0.99 -0.38 115.31 119.73 2rg9 h LEU 173 Ca -0.03 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2rg9 h LEU 173 Cb 1.03 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2rg9 h LEU 173 CO 0.06 -0.09 0.05 -0.50 -0.34 0.00 0.00 178.44 177.62 2rg9 h TRP 174 N 0.04 1.01 -0.16 1.25 4.06 -0.71 -1.26 115.95 120.19 2rg9 h TRP 174 Ca 0.17 -0.14 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 2rg9 h TRP 174 Cb 0.26 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 2rg9 h TRP 174 CO -0.29 0.88 -0.01 -0.09 -3.56 0.00 0.00 178.44 175.37 2rg9 h ARG 175 N 0.89 0.28 -0.66 0.49 2.43 -0.96 -1.85 114.38 115.00 2rg9 h ARG 175 Ca 0.17 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2rg9 h ARG 175 Cb 0.45 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2rg9 h ARG 175 CO 0.02 0.51 0.40 0.00 -1.51 0.00 0.00 179.97 179.39 2rg9 h ALA 176 N 0.76 0.84 -0.78 2.80 0.00 -0.98 -2.18 119.26 119.73 2rg9 h ALA 176 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2rg9 h ALA 176 Cb 0.39 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2rg9 h ALA 176 CO 0.01 0.32 0.49 -0.09 0.00 0.00 0.00 179.25 179.98 2rg9 h ARG 177 N 0.90 0.92 -0.11 0.00 2.43 -1.18 0.73 114.38 118.08 2rg9 h ARG 177 Ca 0.24 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2rg9 h ARG 177 Cb -0.02 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2rg9 h ARG 177 CO -0.04 0.61 0.05 0.37 -1.51 0.00 0.00 179.97 179.45 2rg9 h GLN 178 N 0.95 0.11 -0.11 0.20 4.15 -0.89 -1.25 115.11 118.27 2rg9 h GLN 178 Ca 0.31 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.56 2rg9 h GLN 178 Cb 0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2rg9 h GLN 178 CO -0.12 0.07 -0.65 1.88 -1.93 0.00 0.00 178.83 178.08 2rg9 h TYR 179 N 0.11 0.56 -0.57 3.99 0.05 -1.07 -2.15 116.97 117.90 2rg9 h TYR 179 Ca 0.04 -0.23 0.04 0.00 0.05 0.00 0.00 58.73 58.64 2rg9 h TYR 179 Cb 0.01 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 2rg9 h TYR 179 CO -0.09 0.96 0.38 0.82 -1.05 0.00 0.00 178.16 179.18 2rg9 h ILE 180 N 0.31 1.04 -0.35 -2.88 2.04 -0.76 0.39 117.51 117.30 2rg9 h ILE 180 Ca -0.02 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.49 2rg9 h ILE 180 Cb 1.21 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2rg9 h ILE 180 CO 0.11 0.11 -0.33 0.78 0.00 0.00 0.00 178.15 178.83 2rg9 h ASN 181 N 0.63 0.90 0.89 1.72 2.35 -0.73 -3.19 115.58 118.14 2rg9 h ASN 181 Ca 0.24 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2rg9 h ASN 181 Cb 0.15 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2rg9 h ASN 181 CO -0.07 1.18 -0.42 -1.54 -1.65 0.00 0.00 177.43 174.93 2rg9 n SER 182 N -4.15 0.58 0.00 5.81 3.41 -0.85 -4.93 113.62 113.49 2rg9 n SER 182 Ca -0.03 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2rg9 n SER 182 Cb 0.51 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2rg9 n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rg9 n GLY 183 N 1.39 0.82 3.80 5.00 0.00 0.13 -5.00 105.19 111.33 2rg9 n GLY 183 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2rg9 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rg9 s ALA 184 N -3.44 2.82 0.26 4.61 0.00 -1.03 -4.80 121.76 120.17 2rg9 s ALA 184 Ca 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 2rg9 s ALA 184 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2rg9 s ALA 184 CO 0.00 -0.56 0.49 -1.12 0.00 0.00 0.00 175.76 174.57 2rg9 s SER 185 N -2.50 6.43 0.08 0.00 0.01 -1.26 -4.57 113.70 111.89 2rg9 s SER 185 Ca 0.65 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 58.40 2rg9 s SER 185 Cb -0.16 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2rg9 s SER 185 CO 0.30 -0.14 0.24 0.72 0.41 0.00 0.00 173.24 174.77 2rg9 s PHE 186 N -2.00 0.04 -0.02 2.43 -0.71 -0.18 -4.95 117.98 112.60 2rg9 s PHE 186 Ca 0.42 -0.39 -0.00 0.00 -1.04 0.00 0.00 56.93 55.92 2rg9 s PHE 186 Cb -0.11 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2rg9 s PHE 186 CO 0.29 -0.55 0.06 -0.51 -1.34 0.00 0.00 175.22 173.17 2rg9 s LEU 187 N -2.63 3.80 0.29 -1.99 1.43 -1.26 0.26 118.68 118.58 2rg9 s LEU 187 Ca 0.02 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 2rg9 s LEU 187 Cb 0.03 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.99 2rg9 s LEU 187 CO -0.09 0.29 1.43 -2.84 0.23 0.00 0.00 176.35 175.37 2rg9 s PRO 188 N -1.58 4.25 0.84 1.29 0.02 -1.26 -5.01 135.00 133.54 2rg9 s PRO 188 Ca 0.21 2.36 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 2rg9 s PRO 188 Cb -0.12 -3.07 0.17 0.00 0.02 0.00 0.00 34.50 31.50 2rg9 s PRO 188 CO 0.11 -0.41 1.16 0.16 -0.33 0.00 0.00 177.00 177.69 2rg9 s ASP 189 N 0.10 3.70 0.23 2.53 1.47 -1.26 -4.81 116.67 118.64 2rg9 s ASP 189 Ca 0.56 -0.13 -0.06 0.00 1.18 0.00 0.00 52.55 54.11 2rg9 s ASP 189 Cb -0.43 -0.06 0.34 0.00 -0.34 0.00 0.00 42.92 42.43 2rg9 s ASP 189 CO 0.49 -2.32 1.82 0.58 0.68 0.00 0.00 175.17 176.43 2rg9 h VAL 190 N -1.07 0.96 0.05 2.11 2.07 -1.95 -1.12 116.25 117.29 2rg9 h VAL 190 Ca -0.39 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2rg9 h VAL 190 Cb 1.25 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2rg9 h VAL 190 CO 0.38 0.15 -0.02 0.22 0.02 0.00 0.00 177.57 178.31 2rg9 h TYR 191 N 0.81 -0.06 -0.54 1.57 3.20 -1.94 0.63 116.97 120.64 2rg9 h TYR 191 Ca 0.36 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.32 2rg9 h TYR 191 Cb 0.26 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 2rg9 h TYR 191 CO -0.06 0.13 0.15 1.98 -1.64 0.00 0.00 178.16 178.72 2rg9 h MET 192 N -0.25 0.29 -0.60 1.82 4.05 -1.88 0.27 114.93 118.63 2rg9 h MET 192 Ca -0.01 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 2rg9 h MET 192 Cb 0.22 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2rg9 h MET 192 CO 0.01 0.19 0.05 -0.07 0.23 0.00 0.00 176.91 177.32 2rg9 h LEU 193 N 0.30 0.98 -0.37 3.39 3.38 -0.93 -1.91 115.31 120.15 2rg9 h LEU 193 Ca 0.27 -0.25 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 2rg9 h LEU 193 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2rg9 h LEU 193 CO -0.32 1.01 -0.81 -0.33 0.09 0.00 0.00 178.44 178.08 2rg9 h GLU 194 N 0.95 0.19 0.00 1.13 5.08 -0.36 -2.67 114.58 118.90 2rg9 h GLU 194 Ca 0.18 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2rg9 h GLU 194 Cb 0.48 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2rg9 h GLU 194 CO 0.02 0.90 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.51 2rg9 h LEU 195 N 0.11 -1.05 -0.60 1.33 3.38 -0.23 -1.70 115.31 116.55 2rg9 h LEU 195 Ca -0.03 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2rg9 h LEU 195 Cb 1.41 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 42.49 2rg9 h LEU 195 CO 0.12 -0.41 0.09 -0.33 0.09 0.00 0.00 178.44 178.00 2rg9 h GLU 196 N -0.50 0.20 -0.00 1.13 5.08 -1.22 -1.51 114.58 117.75 2rg9 h GLU 196 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2rg9 h GLU 196 Cb 0.59 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2rg9 h GLU 196 CO -0.28 0.13 -0.09 0.25 -1.00 0.00 0.00 179.01 178.02 2rg9 n THR 197 N -5.18 0.00 0.20 1.13 -2.24 -1.02 -3.20 114.28 103.97 2rg9 n THR 197 Ca 0.09 -0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2rg9 n THR 197 Cb 0.34 -0.20 0.17 0.00 -2.10 0.00 0.00 70.33 68.54 2rg9 n THR 197 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2rg9 n SER 198 N -1.08 3.05 -0.16 3.42 3.41 -0.60 -4.67 113.62 116.99 2rg9 n SER 198 Ca 0.14 -1.89 -0.04 0.00 -0.26 0.00 0.00 58.87 56.82 2rg9 n SER 198 Cb 0.27 -0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2rg9 n SER 198 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2rg9 h TRP 199 N 3.44 0.39 -0.44 7.33 7.01 -1.43 0.12 115.95 132.37 2rg9 h TRP 199 Ca 0.00 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2rg9 h TRP 199 Cb 0.82 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 2rg9 h TRP 199 CO 0.20 0.16 0.24 0.78 -2.79 0.00 0.00 178.44 177.03 2rg9 h GLY 200 N 0.42 0.65 0.99 2.65 0.00 -1.85 -1.27 103.07 104.66 2rg9 h GLY 200 Ca 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2rg9 h GLY 200 CO -0.20 0.28 0.34 1.46 0.00 0.00 0.00 176.54 178.42 2rg9 h GLN 201 N 0.57 0.80 -0.53 4.80 4.20 -1.71 -0.64 115.11 122.60 2rg9 h GLN 201 Ca 0.15 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2rg9 h GLN 201 Cb 0.05 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2rg9 h GLN 201 CO -0.02 0.59 0.13 1.96 -0.67 0.00 0.00 178.83 180.81 2rg9 h GLN 202 N 0.79 0.84 -0.43 1.46 4.20 -0.67 0.75 115.11 122.04 2rg9 h GLN 202 Ca 0.21 -0.20 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2rg9 h GLN 202 Cb 0.00 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2rg9 h GLN 202 CO -0.04 0.80 0.14 0.77 -0.67 0.00 0.00 178.83 179.83 2rg9 h SER 203 N 0.74 0.13 -0.18 1.46 0.02 -0.98 -0.77 113.55 113.96 2rg9 h SER 203 Ca 0.17 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2rg9 h SER 203 Cb 0.33 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2rg9 h SER 203 CO 0.00 0.11 -0.04 0.74 -1.14 0.00 0.00 176.83 176.50 2rg9 h THR 204 N 0.30 1.28 -0.61 -2.27 2.02 -0.80 -2.16 112.91 110.68 2rg9 h THR 204 Ca 0.20 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 2rg9 h THR 204 Cb 0.21 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2rg9 h THR 204 CO -0.22 0.30 0.32 1.56 0.37 0.00 0.00 175.52 177.85 2rg9 h GLN 205 N 0.07 0.86 0.04 6.66 1.08 -0.73 0.11 115.11 123.20 2rg9 h GLN 205 Ca 0.05 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2rg9 h GLN 205 Cb 0.47 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2rg9 h GLN 205 CO 0.02 0.66 -0.09 0.28 -0.95 0.00 0.00 178.83 178.75 2rg9 h VAL 206 N 0.83 0.79 0.00 -0.54 2.07 -1.13 -0.13 116.25 118.13 2rg9 h VAL 206 Ca 0.21 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 2rg9 h VAL 206 Cb 0.07 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2rg9 h VAL 206 CO -0.03 0.00 -0.47 1.56 0.02 0.00 0.00 177.57 178.65 2rg9 h GLN 207 N -0.17 0.00 -0.01 1.57 4.20 -1.08 -2.12 115.11 117.50 2rg9 h GLN 207 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2rg9 h GLN 207 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2rg9 h GLN 207 CO -0.06 0.47 -0.12 0.72 -0.67 0.00 0.00 178.83 179.17 2rg9 n HIS 208 N -3.96 0.00 -1.96 2.96 8.25 0.36 -4.98 115.22 115.89 2rg9 n HIS 208 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 2rg9 n HIS 208 Cb 0.49 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.51 2rg9 n HIS 208 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2rg9 s SER 209 N -2.34 5.70 -0.38 0.41 1.04 -0.07 -4.74 113.70 113.33 2rg9 s SER 209 Ca 0.31 2.62 -0.11 0.00 0.48 0.00 0.00 55.95 59.25 2rg9 s SER 209 Cb 0.20 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.72 2rg9 s SER 209 CO 0.45 -1.26 0.22 -0.89 0.98 0.00 0.00 173.24 172.73 2rg9 s THR 210 N -1.36 4.63 -1.57 2.02 2.01 -0.58 -4.44 115.64 116.35 2rg9 s THR 210 Ca 0.67 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 2rg9 s THR 210 Cb -0.37 -3.60 0.09 0.00 0.01 0.00 0.00 72.50 68.64 2rg9 s THR 210 CO 0.45 -0.26 0.76 0.47 -0.69 0.00 0.00 174.62 175.35 2rg9 n ASP 211 N 5.01 -2.99 0.00 3.53 8.00 -1.26 -1.17 116.55 127.68 2rg9 n ASP 211 Ca -0.12 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2rg9 n ASP 211 Cb 0.46 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 2rg9 n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rg9 n GLY 212 N -1.62 2.24 3.66 0.44 0.00 -1.26 -5.00 105.19 103.64 2rg9 n GLY 212 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2rg9 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rg9 s VAL 213 N -2.41 4.89 0.11 1.61 1.01 -0.32 -0.37 120.40 124.92 2rg9 s VAL 213 Ca 0.00 1.53 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 2rg9 s VAL 213 Cb 0.00 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 2rg9 s VAL 213 CO 0.00 0.00 1.37 -0.36 0.00 0.00 0.00 175.10 176.11 2rg9 s PHE 214 N 2.37 3.26 0.27 5.22 0.40 0.23 -1.52 117.98 128.22 2rg9 s PHE 214 Ca 0.35 0.99 0.11 0.00 -0.60 0.00 0.00 56.93 57.78 2rg9 s PHE 214 Cb -0.16 -3.65 0.40 0.00 0.51 0.00 0.00 43.02 40.12 2rg9 s PHE 214 CO 0.10 -2.26 1.63 -0.91 0.70 0.00 0.00 175.22 174.48 2rg9 h ASN 215 N 6.81 0.00 -3.39 1.36 2.35 -1.85 -3.39 115.58 117.47 2rg9 h ASN 215 Ca -0.42 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.73 2rg9 h ASN 215 Cb 1.21 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.18 2rg9 h ASN 215 CO 0.86 0.59 -0.74 0.20 -1.65 0.00 0.00 177.43 176.68 2rg9 s ASN 216 N -6.83 3.83 0.59 5.81 0.01 -1.26 -5.12 114.94 111.96 2rg9 s ASN 216 Ca -0.01 -2.27 -0.19 0.00 -0.71 0.00 0.00 52.86 49.67 2rg9 s ASN 216 Cb 0.13 -1.00 -0.05 0.00 0.41 0.00 0.00 41.25 40.74 2rg9 s ASN 216 CO 0.76 -0.32 1.09 -2.65 -1.51 0.00 0.00 177.10 174.46 2rg9 n PRO 217 N 4.01 1.09 -3.96 -0.60 -0.02 -1.26 -4.98 135.00 129.28 2rg9 n PRO 217 Ca 0.05 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 2rg9 n PRO 217 Cb 0.37 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 2rg9 n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2rg9 s ILE 218 N -1.44 3.85 -0.24 4.25 1.01 -0.36 -4.92 121.20 123.35 2rg9 s ILE 218 Ca 0.76 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.94 2rg9 s ILE 218 Cb -0.42 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 2rg9 s ILE 218 CO 0.47 0.41 0.26 0.00 0.00 0.00 0.00 174.94 176.08 2rg9 s ARG 219 N 1.28 4.08 -0.18 2.79 1.04 -1.26 0.36 118.95 127.06 2rg9 s ARG 219 Ca 0.04 -0.09 -0.01 0.00 -1.04 0.00 0.00 55.73 54.62 2rg9 s ARG 219 Cb -0.15 -3.56 -0.00 0.00 -2.04 0.00 0.00 34.95 29.20 2rg9 s ARG 219 CO 0.01 -0.03 -0.12 -0.51 -0.04 0.00 0.00 175.30 174.61 2rg9 s LEU 220 N 1.32 2.59 0.36 -1.89 1.43 0.14 -4.95 118.68 117.68 2rg9 s LEU 220 Ca 0.12 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.48 2rg9 s LEU 220 Cb -0.14 -1.62 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 2rg9 s LEU 220 CO 0.07 0.04 1.34 0.00 0.23 0.00 0.00 176.35 178.02 2rg9 s ALA 221 N 1.11 3.43 -0.04 4.21 0.00 -1.26 0.41 121.76 129.62 2rg9 s ALA 221 Ca 0.00 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.32 2rg9 s ALA 221 Cb -0.14 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2rg9 s ALA 221 CO -0.03 -0.77 -0.18 -0.51 0.00 0.00 0.00 175.76 174.26 2rg9 s LEU 222 N -2.05 2.49 0.31 0.00 1.43 0.26 -4.33 118.68 116.79 2rg9 s LEU 222 Ca 0.52 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2rg9 s LEU 222 Cb -0.40 -1.48 0.78 0.00 0.03 0.00 0.00 46.19 45.12 2rg9 s LEU 222 CO 0.53 0.33 1.59 -0.65 0.23 0.00 0.00 176.35 178.39 2rg9 h PRO 223 N 5.42 0.06 -0.05 1.29 0.11 -1.96 -2.01 132.00 134.86 2rg9 h PRO 223 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2rg9 h PRO 223 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2rg9 h PRO 223 CO 0.49 0.04 0.00 -2.30 -0.21 0.00 0.00 178.00 176.02 2rg9 n PRO 224 N -5.40 0.25 -0.20 1.05 -0.02 -1.26 -4.70 135.00 124.72 2rg9 n PRO 224 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2rg9 n PRO 224 Cb 0.77 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 2rg9 n PRO 224 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rg9 n GLY 225 N -0.14 0.66 3.64 -1.23 0.00 -0.77 -5.07 105.19 102.29 2rg9 n GLY 225 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2rg9 n GLY 225 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2rg9 n ASN 226 N 0.00 3.28 -4.34 1.61 6.94 -1.15 -4.97 115.26 116.62 2rg9 n ASN 226 Ca 0.00 -3.15 -0.23 0.00 -0.02 0.00 0.00 54.58 51.18 2rg9 n ASN 226 Cb 0.00 0.28 -0.11 0.00 -2.36 0.00 0.00 39.78 37.59 2rg9 n ASN 226 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2rg9 s VAL 227 N -2.80 1.88 -0.09 3.53 -7.23 -1.26 0.92 120.40 115.36 2rg9 s VAL 227 Ca 0.06 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2rg9 s VAL 227 Cb -0.00 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 2rg9 s VAL 227 CO 0.04 -0.27 -0.09 0.54 -0.31 0.00 0.00 175.10 175.01 2rg9 s VAL 228 N -1.92 3.48 -0.16 1.32 0.11 0.17 -4.86 120.40 118.55 2rg9 s VAL 228 Ca 0.15 -0.55 -0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2rg9 s VAL 228 Cb -0.06 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.34 2rg9 s VAL 228 CO 0.07 0.57 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.44 2rg9 s THR 229 N -0.45 3.45 -0.39 5.04 2.01 -1.26 0.25 115.64 124.29 2rg9 s THR 229 Ca 0.06 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 2rg9 s THR 229 Cb -0.12 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.90 2rg9 s THR 229 CO 0.02 0.49 0.35 -0.76 -0.69 0.00 0.00 174.62 174.04 2rg9 s LEU 230 N 0.59 4.81 -0.00 4.42 1.43 0.16 -4.89 118.68 125.19 2rg9 s LEU 230 Ca -0.05 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2rg9 s LEU 230 Cb -0.15 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 2rg9 s LEU 230 CO 0.03 -0.45 0.07 0.35 0.23 0.00 0.00 176.35 176.58 2rg9 n THR 231 N 5.27 0.00 -3.74 5.49 -2.24 -1.26 -1.22 114.28 116.58 2rg9 n THR 231 Ca -0.09 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2rg9 n THR 231 Cb 0.48 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 2rg9 n THR 231 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2rg9 s ASN 232 N -1.57 -0.19 0.59 3.42 3.84 -1.26 -0.60 114.94 119.17 2rg9 s ASN 232 Ca 0.00 0.00 0.33 0.00 0.21 0.00 0.00 52.86 53.40 2rg9 s ASN 232 Cb 0.01 0.35 1.85 0.00 -0.55 0.00 0.00 41.25 42.91 2rg9 s ASN 232 CO 0.08 -0.54 2.22 0.16 -2.79 0.00 0.00 177.10 176.24 2rg9 h ILE 233 N 3.51 0.39 0.00 -5.21 -0.00 -1.09 -0.03 117.51 115.09 2rg9 h ILE 233 Ca -0.30 -0.17 -0.01 0.00 -0.00 0.00 0.00 64.86 64.37 2rg9 h ILE 233 Cb 1.19 1.12 -0.00 0.00 -0.00 0.00 0.00 36.82 39.12 2rg9 h ILE 233 CO 0.42 0.03 -0.05 0.03 -0.00 0.00 0.00 178.15 178.59 2rg9 h ARG 234 N 0.00 0.00 0.00 0.16 3.08 -1.96 -0.13 114.38 115.53 2rg9 h ARG 234 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2rg9 h ARG 234 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2rg9 h ARG 234 CO 0.00 0.05 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.49 2rg9 h ASP 235 N 0.00 0.00 0.00 7.04 3.32 -1.39 -3.30 116.42 122.10 2rg9 h ASP 235 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rg9 h ASP 235 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2rg9 h ASP 235 CO 0.01 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.88 2rg9 n VAL 236 N -3.13 0.00 -0.12 -1.35 0.24 -0.67 -4.78 118.33 108.53 2rg9 n VAL 236 Ca 0.00 -0.47 0.12 0.00 -2.04 0.00 0.00 64.34 61.95 2rg9 n VAL 236 Cb 0.30 1.02 0.47 0.00 -1.47 0.00 0.00 33.84 34.17 2rg9 n VAL 236 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2rg9 h ILE 237 N 0.02 0.90 0.00 1.34 6.09 -1.13 0.44 117.51 125.16 2rg9 h ILE 237 Ca 0.00 -0.16 -0.11 0.00 -1.37 0.00 0.00 64.86 63.22 2rg9 h ILE 237 Cb 0.01 0.38 -0.02 0.00 0.47 0.00 0.00 36.82 37.67 2rg9 h ILE 237 CO 0.00 0.09 -0.60 0.00 -3.07 0.00 0.00 178.15 174.57 2rg9 h ALA 238 N 1.67 0.67 0.00 0.18 0.00 -1.86 -3.40 119.26 116.51 2rg9 h ALA 238 Ca 0.30 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 2rg9 h ALA 238 Cb 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2rg9 h ALA 238 CO -0.09 0.65 -1.86 -1.13 0.00 0.00 0.00 179.25 176.82 2rg9 n SER 239 N -3.19 2.62 -4.59 0.00 3.41 -0.52 -4.72 113.62 106.62 2rg9 n SER 239 Ca 0.01 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 2rg9 n SER 239 Cb 0.75 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 2rg9 n SER 239 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2rg9 s LEU 240 N -5.64 3.51 0.02 1.04 2.96 0.03 -0.70 118.68 119.91 2rg9 s LEU 240 Ca -0.17 0.61 0.16 0.00 -0.22 0.00 0.00 54.13 54.52 2rg9 s LEU 240 Cb 0.05 -3.35 -0.17 0.00 0.50 0.00 0.00 46.19 43.23 2rg9 s LEU 240 CO 0.39 -1.55 0.73 0.00 -1.32 0.00 0.00 176.35 174.60 2rg9 n ALA 241 N 9.16 1.87 -3.53 5.97 0.00 0.46 -4.82 120.51 129.62 2rg9 n ALA 241 Ca 0.15 -0.63 -0.16 0.00 0.00 0.00 0.00 53.44 52.80 2rg9 n ALA 241 Cb 0.49 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 2rg9 n ALA 241 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2rg9 s ILE 242 N -2.87 0.00 0.06 0.00 2.07 -1.23 -4.30 121.20 114.94 2rg9 s ILE 242 Ca -0.04 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.27 2rg9 s ILE 242 Cb 0.09 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 2rg9 s ILE 242 CO 0.82 0.00 -0.20 -0.04 -1.91 0.00 0.00 174.94 173.61 2rg9 s MET 243 N -1.28 1.24 0.21 3.50 -1.94 -0.54 -4.84 119.30 115.66 2rg9 s MET 243 Ca -0.08 -0.99 -0.32 0.00 -1.71 0.00 0.00 55.69 52.59 2rg9 s MET 243 Cb -0.00 -1.39 -0.12 0.00 2.01 0.00 0.00 34.83 35.33 2rg9 s MET 243 CO 0.07 0.34 1.70 -1.17 -0.01 0.00 0.00 175.02 175.96 2rg9 s LEU 244 N -1.41 4.37 -0.27 -0.03 2.96 -1.26 -0.80 118.68 122.23 2rg9 s LEU 244 Ca 0.06 2.86 -0.29 0.00 -0.22 0.00 0.00 54.13 56.55 2rg9 s LEU 244 Cb -0.09 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 2rg9 s LEU 244 CO 0.02 -0.96 1.37 0.12 -1.32 0.00 0.00 176.35 175.58 2rg9 s PHE 245 N 1.07 2.57 -0.30 5.38 2.19 -1.26 -4.78 117.98 122.83 2rg9 s PHE 245 Ca 0.74 0.80 0.07 0.00 0.33 0.00 0.00 56.93 58.87 2rg9 s PHE 245 Cb -0.49 -3.89 -0.08 0.00 -1.31 0.00 0.00 43.02 37.25 2rg9 s PHE 245 CO 0.33 -2.00 0.29 0.28 1.83 0.00 0.00 175.22 175.95 2rg9 n VAL 246 N 6.17 0.00 -0.03 3.12 0.31 -1.26 -4.74 118.33 121.89 2rg9 n VAL 246 Ca 0.16 -0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.21 2rg9 n VAL 246 Cb 0.46 0.93 -0.14 0.00 -0.91 0.00 0.00 33.84 34.18 2rg9 n VAL 246 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rg9 n GLY 248 N 1.63 -4.69 0.00 0.00 0.00 -1.26 -5.16 105.19 95.71 2rg9 n GLY 248 Ca -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2rg9 n GLY 248 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11