#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b n GLY 15 N 0.00 0.42 3.62 -5.12 0.00 -1.26 -5.16 105.19 97.69 1r3b n GLY 15 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 1r3b n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 16 N 0.00 -0.22 0.04 1.61 1.04 -1.26 -5.17 113.70 109.74 1r3b s SER 16 Ca 0.00 0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.79 1r3b s SER 16 Cb 0.00 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1r3b s SER 16 CO 0.00 -0.16 -0.12 -0.44 0.98 0.00 0.00 173.24 173.49 1r3b s SER 17 N -0.73 4.23 -0.30 7.02 0.01 -1.26 -5.12 113.70 117.56 1r3b s SER 17 Ca 0.04 -0.32 -0.11 0.00 1.31 0.00 0.00 55.95 56.87 1r3b s SER 17 Cb -0.02 -0.83 0.13 0.00 0.21 0.00 0.00 66.02 65.51 1r3b s SER 17 CO -0.05 0.25 0.67 -1.38 0.41 0.00 0.00 173.24 173.14 1r3b s HIS 18 N -1.02 -1.29 0.10 2.43 0.00 -1.26 -5.17 115.29 109.09 1r3b s HIS 18 Ca 0.17 2.26 -0.03 0.00 -3.00 0.00 0.00 55.06 54.46 1r3b s HIS 18 Cb -0.11 0.77 -0.03 0.00 -4.00 0.00 0.00 32.58 29.21 1r3b s HIS 18 CO 0.08 -0.64 0.07 -3.38 -1.00 0.00 0.00 174.74 169.87 1r3b s HIS 19 N 2.73 0.60 -0.23 0.38 -0.00 -1.26 -5.17 115.29 112.35 1r3b s HIS 19 Ca -0.06 -1.04 -0.19 0.00 -0.00 0.00 0.00 55.06 53.76 1r3b s HIS 19 Cb -0.11 -0.35 0.06 0.00 -0.00 0.00 0.00 32.58 32.19 1r3b s HIS 19 CO -0.19 -0.50 0.59 -1.58 -0.00 0.00 0.00 174.74 173.07 1r3b s HIS 20 N -3.97 -0.70 -0.01 0.38 5.65 -1.26 -5.17 115.29 110.21 1r3b s HIS 20 Ca 0.15 1.64 -0.03 0.00 0.25 0.00 0.00 55.06 57.06 1r3b s HIS 20 Cb 0.07 0.28 -0.00 0.00 -1.18 0.00 0.00 32.58 31.74 1r3b s HIS 20 CO -0.04 -0.34 0.07 -1.01 -0.65 0.00 0.00 174.74 172.76 1r3b s HIS 21 N 0.55 0.04 -0.29 3.88 4.02 -1.26 -5.16 115.29 117.08 1r3b s HIS 21 Ca -0.02 -0.08 -0.24 0.00 1.02 0.00 0.00 55.06 55.74 1r3b s HIS 21 Cb -0.05 -0.05 0.14 0.00 -1.02 0.00 0.00 32.58 31.61 1r3b s HIS 21 CO -0.03 -0.15 1.14 -1.58 1.02 0.00 0.00 174.74 175.14 1r3b s HIS 22 N -0.75 -0.36 -0.01 1.40 5.65 -1.26 -5.17 115.29 114.79 1r3b s HIS 22 Ca -0.08 0.87 0.01 0.00 0.25 0.00 0.00 55.06 56.11 1r3b s HIS 22 Cb -0.05 0.39 0.00 0.00 -1.18 0.00 0.00 32.58 31.74 1r3b s HIS 22 CO 0.00 -0.18 -0.02 -3.38 -0.65 0.00 0.00 174.74 170.51 1r3b s HIS 23 N 0.27 0.29 -0.06 3.88 -0.00 -1.26 -5.15 115.29 113.26 1r3b s HIS 23 Ca 0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 55.06 55.05 1r3b s HIS 23 Cb -0.05 -0.23 -0.03 0.00 -0.00 0.00 0.00 32.58 32.27 1r3b s HIS 23 CO -0.09 -0.03 -0.01 -1.54 -0.00 0.00 0.00 174.74 173.06 1r3b s SER 24 N 0.16 5.08 0.18 7.38 1.04 -1.26 -5.10 113.70 121.19 1r3b s SER 24 Ca -0.01 0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.36 1r3b s SER 24 Cb -0.04 -1.37 0.05 0.00 0.10 0.00 0.00 66.02 64.76 1r3b s SER 24 CO -0.00 0.34 0.62 -1.20 0.98 0.00 0.00 173.24 173.98 1r3b n SER 25 N 1.92 -1.32 0.00 7.02 7.64 -1.26 -5.05 113.62 122.56 1r3b n SER 25 Ca -0.17 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1r3b n SER 25 Cb 0.53 2.18 0.00 0.00 -1.01 0.00 0.00 64.21 65.91 1r3b n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3b n GLY 26 N -0.43 1.59 3.33 0.23 0.00 -1.26 -5.12 105.19 103.53 1r3b n GLY 26 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1r3b n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r3b s LEU 27 N 0.00 3.09 -0.32 0.99 2.96 -1.26 -5.07 118.68 119.06 1r3b s LEU 27 Ca 0.00 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1r3b s LEU 27 Cb 0.00 -1.78 0.09 0.00 0.50 0.00 0.00 46.19 45.00 1r3b s LEU 27 CO 0.00 -0.04 0.01 -0.69 -1.32 0.00 0.00 176.35 174.31 1r3b s VAL 28 N 1.50 2.26 0.53 1.68 1.01 -1.26 -4.92 120.40 121.20 1r3b s VAL 28 Ca 0.05 -2.18 -0.20 0.00 0.00 0.00 0.00 61.98 59.65 1r3b s VAL 28 Cb -0.15 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1r3b s VAL 28 CO -0.02 -0.46 1.16 -2.16 0.00 0.00 0.00 175.10 173.62 1r3b s PRO 29 N 0.95 3.38 0.03 2.72 0.04 -1.26 -5.06 135.00 135.80 1r3b s PRO 29 Ca 0.06 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1r3b s PRO 29 Cb -0.19 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1r3b s PRO 29 CO -0.07 -0.85 -0.02 1.03 0.04 0.00 0.00 177.00 177.13 1r3b s ARG 30 N -3.14 0.43 0.00 4.56 3.00 -1.26 -5.09 118.95 117.46 1r3b s ARG 30 Ca 0.71 -0.83 0.00 0.00 0.00 0.00 0.00 55.73 55.62 1r3b s ARG 30 Cb -0.27 0.15 0.00 0.00 0.00 0.00 0.00 34.95 34.84 1r3b s ARG 30 CO 0.30 -0.08 0.00 0.41 0.00 0.00 0.00 175.30 175.94 1r3b n GLY 31 N 1.03 -1.76 3.32 -3.53 0.00 -1.26 -5.17 105.19 97.83 1r3b n GLY 31 Ca -0.20 0.82 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 1r3b n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 32 N -4.00 0.09 0.05 1.61 0.15 -1.26 -5.18 113.70 105.16 1r3b s SER 32 Ca 0.00 -1.09 0.02 0.00 0.70 0.00 0.00 55.95 55.58 1r3b s SER 32 Cb 0.00 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 1r3b s SER 32 CO 0.00 -0.90 -0.07 0.00 1.20 0.00 0.00 173.24 173.46 1r3b s ALA 33 N -4.05 0.61 0.30 5.45 0.00 -1.26 -5.16 121.76 117.66 1r3b s ALA 33 Ca 0.26 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 1r3b s ALA 33 Cb 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.16 1r3b s ALA 33 CO 0.06 -0.05 0.64 0.99 0.00 0.00 0.00 175.76 177.39 1r3b s THR 34 N -1.68 4.87 -0.15 0.00 2.01 -1.26 -5.09 115.64 114.35 1r3b s THR 34 Ca -0.07 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 1r3b s THR 34 Cb -0.08 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.80 1r3b s THR 34 CO -0.00 -0.26 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.40 1r3b s LEU 35 N -3.27 1.39 0.00 4.42 0.20 -1.26 -5.07 118.68 115.09 1r3b s LEU 35 Ca 0.49 -0.53 0.00 0.00 0.69 0.00 0.00 54.13 54.78 1r3b s LEU 35 Cb -0.11 -0.84 0.00 0.00 -0.43 0.00 0.00 46.19 44.82 1r3b s LEU 35 CO 0.25 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.75 1r3b n GLY 36 N 4.93 0.45 1.34 7.98 0.00 -1.26 -4.99 105.19 113.63 1r3b n GLY 36 Ca -0.11 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1r3b n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 37 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.17 113.62 116.44 1r3b n SER 37 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1r3b n SER 37 Cb 0.00 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1r3b n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3b n GLY 38 N -0.61 0.23 3.93 0.23 0.00 -1.26 -4.93 105.19 102.78 1r3b n GLY 38 Ca 0.00 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 1r3b n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r3b s ASN 39 N -4.00 5.45 0.02 1.61 0.01 -1.26 -5.02 114.94 111.75 1r3b s ASN 39 Ca 0.00 0.57 -0.19 0.00 -0.71 0.00 0.00 52.86 52.53 1r3b s ASN 39 Cb 0.00 -1.52 -0.24 0.00 0.41 0.00 0.00 41.25 39.90 1r3b s ASN 39 CO 0.00 -1.13 1.11 0.25 -1.51 0.00 0.00 177.10 175.82 1r3b h LEU 40 N -0.18 0.62 -0.18 0.60 7.12 -1.99 -2.94 115.31 118.36 1r3b h LEU 40 Ca -0.45 -0.76 -0.03 0.00 0.13 0.00 0.00 57.88 56.76 1r3b h LEU 40 Cb 1.27 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 1r3b h LEU 40 CO 0.60 1.31 -0.01 0.03 -0.13 0.00 0.00 178.44 180.24 1r3b h ARG 41 N 0.00 0.33 -0.44 1.25 -0.00 -1.99 -2.88 114.38 110.64 1r3b h ARG 41 Ca -0.09 -0.11 0.05 0.00 -0.50 0.00 0.00 59.98 59.34 1r3b h ARG 41 Cb 1.42 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.34 1r3b h ARG 41 CO 0.14 0.54 0.30 1.96 0.00 0.00 0.00 179.97 182.91 1r3b h GLN 42 N 0.07 0.37 0.00 0.04 1.08 -1.84 0.11 115.11 114.94 1r3b h GLN 42 Ca 0.05 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1r3b h GLN 42 Cb 0.40 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1r3b h GLN 42 CO 0.01 0.24 0.00 0.00 -0.95 0.00 0.00 178.83 178.13 1r3b n ALA 43 N -2.51 1.44 -0.02 3.87 0.00 -1.09 -2.27 120.51 119.92 1r3b n ALA 43 Ca 0.06 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.53 1r3b n ALA 43 Cb 0.23 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b n VAL 44 N -2.29 1.64 -4.13 0.00 0.31 0.38 -4.88 118.33 109.34 1r3b n VAL 44 Ca 0.01 -0.78 -0.21 0.00 -0.01 0.00 0.00 64.34 63.35 1r3b n VAL 44 Cb 0.16 -1.14 -0.17 0.00 -0.91 0.00 0.00 33.84 31.79 1r3b n VAL 44 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1r3b s MET 45 N -2.59 0.94 0.31 5.55 -2.45 -0.96 -4.82 119.30 115.27 1r3b s MET 45 Ca -0.07 -0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 53.96 1r3b s MET 45 Cb 0.08 -0.97 -0.12 0.00 1.25 0.00 0.00 34.83 35.07 1r3b s MET 45 CO 0.82 -0.11 1.53 -0.11 1.05 0.00 0.00 175.02 178.20 1r3b n LEU 46 N 4.24 4.27 -4.76 4.11 7.94 -1.26 -4.70 117.00 126.84 1r3b n LEU 46 Ca -0.21 1.17 -0.41 0.00 -1.11 0.00 0.00 56.01 55.45 1r3b n LEU 46 Cb 0.51 -1.57 -0.02 0.00 0.53 0.00 0.00 43.42 42.86 1r3b n LEU 46 CO 0.21 0.04 1.03 -2.16 -1.11 0.00 0.00 177.39 175.40 1r3b s PRO 47 N -0.96 4.32 -0.49 1.96 0.04 -1.26 -4.87 135.00 133.74 1r3b s PRO 47 Ca 0.61 2.24 -0.29 0.00 0.04 0.00 0.00 61.00 63.61 1r3b s PRO 47 Cb -0.51 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 30.84 1r3b s PRO 47 CO 0.53 -0.29 2.38 0.39 0.04 0.00 0.00 177.00 180.05 1r3b n GLU 48 N 1.51 1.06 0.00 4.56 1.02 -1.26 -2.42 120.64 125.12 1r3b n GLU 48 Ca 0.03 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1r3b n GLU 48 Cb 0.41 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r3b n GLY 49 N 6.14 0.81 3.93 0.62 0.00 -1.26 -5.14 105.19 110.28 1r3b n GLY 49 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 1r3b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3b s GLU 50 N 0.00 3.36 0.20 1.61 2.02 -1.01 -5.10 118.70 119.78 1r3b s GLU 50 Ca 0.00 -0.65 -0.23 0.00 0.02 0.00 0.00 54.97 54.10 1r3b s GLU 50 Cb 0.00 -2.91 -0.08 0.00 0.10 0.00 0.00 34.13 31.23 1r3b s GLU 50 CO 0.00 0.51 0.78 -0.51 0.02 0.00 0.00 175.26 176.06 1r3b s ASP 51 N -3.27 7.27 0.30 -0.19 1.01 -1.26 -4.93 116.67 115.60 1r3b s ASP 51 Ca 0.34 1.59 0.06 0.00 0.71 0.00 0.00 52.55 55.25 1r3b s ASP 51 Cb -0.11 -2.48 0.78 0.00 1.01 0.00 0.00 42.92 42.12 1r3b s ASP 51 CO 0.28 0.12 1.72 0.17 0.21 0.00 0.00 175.17 177.67 1r3b h LEU 52 N 3.89 0.51 -1.43 1.23 -0.00 -1.99 0.16 115.31 117.68 1r3b h LEU 52 Ca -0.47 0.14 0.31 0.00 -0.00 0.00 0.00 57.88 57.86 1r3b h LEU 52 Cb 1.20 0.07 -0.10 0.00 -0.00 0.00 0.00 40.66 41.83 1r3b h LEU 52 CO 0.66 0.07 0.73 0.78 -0.00 0.00 0.00 178.44 180.68 1r3b h ASN 53 N 0.51 0.36 -0.03 0.17 -0.26 -1.99 0.41 115.58 114.75 1r3b h ASN 53 Ca 0.59 0.09 -0.13 0.00 -0.56 0.00 0.00 56.30 56.29 1r3b h ASN 53 Cb 1.09 0.04 0.01 0.00 -1.06 0.00 0.00 38.32 38.40 1r3b h ASN 53 CO -0.49 0.01 -0.49 -0.08 -1.06 0.00 0.00 177.43 175.32 1r3b h GLU 54 N 0.28 0.38 -0.40 0.81 4.81 -1.08 -2.92 114.58 116.46 1r3b h GLU 54 Ca 0.65 -0.37 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 1r3b h GLU 54 Cb 1.84 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 31.24 1r3b h GLU 54 CO -0.30 1.04 -0.10 2.35 -0.73 0.00 0.00 179.01 181.27 1r3b h TRP 55 N -0.14 -0.20 -0.02 0.92 -0.00 -0.09 0.72 115.95 117.14 1r3b h TRP 55 Ca -0.05 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1r3b h TRP 55 Cb 1.19 0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 30.48 1r3b h TRP 55 CO 0.14 -0.17 -0.11 0.82 -0.00 0.00 0.00 178.44 179.13 1r3b h ILE 56 N 0.00 0.72 -0.42 2.65 2.04 -1.12 0.32 117.51 121.70 1r3b h ILE 56 Ca 0.19 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 1r3b h ILE 56 Cb 0.29 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1r3b h ILE 56 CO -0.41 0.00 0.15 0.00 0.00 0.00 0.00 178.15 177.89 1r3b h ALA 57 N 0.82 1.47 -0.30 1.87 0.00 -1.15 -0.09 119.26 121.88 1r3b h ALA 57 Ca 0.05 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1r3b h ALA 57 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1r3b h ALA 57 CO -0.13 0.40 -0.28 0.28 0.00 0.00 0.00 179.25 179.53 1r3b h VAL 58 N 0.60 1.30 -0.01 0.00 2.07 0.13 -3.08 116.25 117.25 1r3b h VAL 58 Ca 0.15 -1.44 -0.19 0.00 0.82 0.00 0.00 66.70 66.03 1r3b h VAL 58 Cb 0.16 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1r3b h VAL 58 CO -0.01 0.46 -0.83 0.78 0.02 0.00 0.00 177.57 177.99 1r3b h ASN 59 N 0.48 0.28 -0.03 0.57 -0.26 -0.08 -2.44 115.58 114.10 1r3b h ASN 59 Ca 0.05 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1r3b h ASN 59 Cb 0.85 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.02 1r3b h ASN 59 CO 0.07 0.99 0.01 0.74 -1.06 0.00 0.00 177.43 178.18 1r3b h THR 60 N 0.13 1.12 -0.33 2.81 2.02 -1.05 1.08 112.91 118.69 1r3b h THR 60 Ca -0.04 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1r3b h THR 60 Cb 1.44 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 1r3b h THR 60 CO 0.13 0.10 -0.18 0.58 0.37 0.00 0.00 175.52 176.51 1r3b h VAL 61 N -0.10 1.26 -0.00 3.16 2.07 -1.62 -1.02 116.25 120.00 1r3b h VAL 61 Ca 0.01 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1r3b h VAL 61 Cb 0.15 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1r3b h VAL 61 CO -0.00 0.39 -0.00 0.44 0.02 0.00 0.00 177.57 178.42 1r3b h ASP 62 N 0.54 0.00 0.49 0.57 5.19 -1.18 -2.08 116.42 119.95 1r3b h ASP 62 Ca 0.09 -0.52 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 1r3b h ASP 62 Cb 0.62 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 1r3b h ASP 62 CO 0.04 0.52 -0.31 -0.26 -3.12 0.00 0.00 179.24 176.11 1r3b h PHE 63 N -0.52 -0.82 -0.12 4.55 0.04 0.13 0.63 116.94 120.84 1r3b h PHE 63 Ca 0.00 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1r3b h PHE 63 Cb 0.52 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1r3b h PHE 63 CO 0.11 -0.47 0.08 0.27 -0.60 0.00 0.00 178.31 177.70 1r3b h PHE 64 N -0.76 0.07 0.01 -0.55 -0.00 -1.29 0.36 116.94 114.78 1r3b h PHE 64 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.89 1r3b h PHE 64 Cb 0.63 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.56 1r3b h PHE 64 CO -0.10 0.04 -0.09 -0.91 -0.00 0.00 0.00 178.31 177.25 1r3b h ASN 65 N 0.07 0.07 -0.66 -0.68 4.21 -0.80 -1.18 115.58 116.61 1r3b h ASN 65 Ca 0.05 -0.88 0.00 0.00 1.21 0.00 0.00 56.30 56.69 1r3b h ASN 65 Cb 0.11 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 1r3b h ASN 65 CO -0.01 0.94 0.42 1.56 -1.29 0.00 0.00 177.43 179.05 1r3b h GLN 66 N -0.79 0.88 0.02 0.81 1.08 0.58 0.92 115.11 118.61 1r3b h GLN 66 Ca -0.01 -0.06 -0.27 0.00 -1.45 0.00 0.00 58.65 56.86 1r3b h GLN 66 Cb 0.96 -0.19 0.02 0.00 -0.05 0.00 0.00 27.48 28.22 1r3b h GLN 66 CO 0.02 0.60 -1.06 -0.84 -0.95 0.00 0.00 178.83 176.60 1r3b h ILE 67 N 0.90 1.29 -0.16 2.54 -0.00 -1.02 -2.93 117.51 118.13 1r3b h ILE 67 Ca 0.24 -2.27 -0.17 0.00 -0.00 0.00 0.00 64.86 62.66 1r3b h ILE 67 Cb -0.07 2.45 -0.01 0.00 -0.00 0.00 0.00 36.82 39.20 1r3b h ILE 67 CO -0.05 0.70 -0.59 0.78 -0.00 0.00 0.00 178.15 178.99 1r3b h ASN 68 N 0.34 0.60 -0.67 2.16 2.35 -0.78 -2.77 115.58 116.82 1r3b h ASN 68 Ca -0.14 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.24 1r3b h ASN 68 Cb 1.72 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.88 1r3b h ASN 68 CO 0.21 1.05 0.27 0.24 -1.65 0.00 0.00 177.43 177.56 1r3b h MET 69 N 0.40 1.02 0.23 0.81 2.86 0.81 -0.05 114.93 121.02 1r3b h MET 69 Ca -0.00 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1r3b h MET 69 Cb 1.14 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1r3b h MET 69 CO 0.11 0.83 -0.11 -0.07 1.06 0.00 0.00 176.91 178.73 1r3b h LEU 70 N 1.00 -0.27 -2.24 1.22 3.38 -1.45 -3.04 115.31 113.90 1r3b h LEU 70 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r3b h LEU 70 Cb 0.19 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1r3b h LEU 70 CO -0.02 0.15 0.00 0.22 0.09 0.00 0.00 178.44 178.88 1r3b h TYR 71 N -0.74 0.00 -0.27 1.13 3.20 -1.42 -1.78 116.97 117.08 1r3b h TYR 71 Ca -0.03 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 1r3b h TYR 71 Cb 0.50 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1r3b h TYR 71 CO 0.04 0.00 -0.21 0.78 -1.64 0.00 0.00 178.16 177.13 1r3b h GLY 72 N 0.00 0.55 1.39 1.82 0.00 -0.90 1.11 103.07 107.04 1r3b h GLY 72 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1r3b h GLY 72 CO -0.00 0.39 -0.58 0.00 0.00 0.00 0.00 176.54 176.35 1r3b h THR 73 N 0.45 0.00 0.00 4.70 1.03 -1.23 -3.36 112.91 114.50 1r3b h THR 73 Ca 0.07 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 1r3b h THR 73 Cb 0.62 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1r3b h THR 73 CO 0.04 0.00 -1.65 0.00 -0.01 0.00 0.00 175.52 173.90 1r3b n ILE 74 N -2.71 0.00 -0.05 0.00 0.00 -0.95 -4.49 119.36 111.16 1r3b n ILE 74 Ca 0.02 -0.33 0.10 0.00 0.00 0.00 0.00 62.75 62.53 1r3b n ILE 74 Cb 0.52 0.18 0.48 0.00 0.00 0.00 0.00 39.64 40.83 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3b h THR 75 N 0.00 0.96 0.00 9.51 1.03 0.11 0.33 112.91 124.85 1r3b h THR 75 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1r3b h THR 75 Cb 0.67 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 1r3b h THR 75 CO 0.00 0.08 0.00 1.05 -0.01 0.00 0.00 175.52 176.64 1r3b h GLU 76 N 0.43 0.00 0.00 0.00 4.11 -1.79 -3.16 114.58 114.18 1r3b h GLU 76 Ca 0.23 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.58 1r3b h GLU 76 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1r3b h GLU 76 CO -0.06 0.00 -0.39 0.74 0.07 0.00 0.00 179.01 179.37 1r3b h PHE 77 N 0.00 0.00 -1.18 2.06 -1.00 -1.17 -3.45 116.94 112.21 1r3b h PHE 77 Ca 0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1r3b h PHE 77 Cb 0.75 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.34 1r3b h PHE 77 CO 0.00 0.39 -0.03 0.00 -1.61 0.00 0.00 178.31 177.06 1r3b s THR 79 N -1.08 -0.04 0.14 0.00 -1.32 -1.26 -5.12 115.64 106.97 1r3b s THR 79 Ca 0.10 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 1r3b s THR 79 Cb -0.02 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 1r3b s THR 79 CO 0.08 0.06 0.00 -0.62 -2.21 0.00 0.00 174.62 171.94 1r3b n GLU 80 N 4.08 -1.24 0.21 7.08 -0.58 -1.26 -3.91 120.64 125.01 1r3b n GLU 80 Ca -0.25 0.82 0.07 0.00 -0.42 0.00 0.00 57.16 57.39 1r3b n GLU 80 Cb 0.53 -1.52 0.45 0.00 -0.57 0.00 0.00 31.44 30.33 1r3b n GLU 80 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1r3b h SER 81 N -0.57 0.00 -4.42 1.62 0.02 -2.03 -3.49 113.55 104.67 1r3b h SER 81 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1r3b h SER 81 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1r3b h SER 81 CO 0.00 0.29 -0.91 0.35 -1.14 0.00 0.00 176.83 175.43 1r3b n THR 82 N -3.63-13.02 -1.48 -2.27 -2.24 -1.25 -4.55 114.28 85.84 1r3b n THR 82 Ca -0.01 3.22 0.18 0.00 -2.27 0.00 0.00 64.05 65.17 1r3b n THR 82 Cb 0.42 -5.51 -0.09 0.00 -2.10 0.00 0.00 70.33 63.04 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n SER 84 N -4.39 0.57 -4.89 0.00 7.64 -1.26 -4.96 113.62 106.34 1r3b n SER 84 Ca -0.09 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.50 1r3b n SER 84 Cb 0.70 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.92 1r3b n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1r3b s VAL 85 N -1.98 4.20 -0.40 0.44 -7.23 -1.26 -5.04 120.40 109.12 1r3b s VAL 85 Ca 0.00 0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.62 1r3b s VAL 85 Cb 0.00 -3.67 0.12 0.00 0.56 0.00 0.00 36.38 33.39 1r3b s VAL 85 CO 0.00 -0.80 0.19 0.00 -0.31 0.00 0.00 175.10 174.19 1r3b s MET 86 N -5.09 1.14 -0.12 4.82 0.23 -1.26 -5.08 119.30 113.93 1r3b s MET 86 Ca 0.54 -1.76 -0.06 0.00 -1.03 0.00 0.00 55.69 53.39 1r3b s MET 86 Cb -0.11 -2.27 0.05 0.00 -1.53 0.00 0.00 34.83 30.97 1r3b s MET 86 CO 0.49 -1.11 0.27 -1.12 -2.03 0.00 0.00 175.02 171.53 1r3b s SER 87 N 0.71 -0.10 -0.30 -1.18 0.01 -1.26 -3.40 113.70 108.18 1r3b s SER 87 Ca 0.15 0.59 0.02 0.00 1.31 0.00 0.00 55.95 58.02 1r3b s SER 87 Cb -0.22 0.56 0.20 0.00 0.21 0.00 0.00 66.02 66.76 1r3b s SER 87 CO -0.06 -0.19 0.71 0.00 0.41 0.00 0.00 173.24 174.10 1r3b s ALA 88 N 1.66 -2.83 0.00 1.44 0.00 -1.26 -4.88 121.76 115.90 1r3b s ALA 88 Ca -0.06 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1r3b s ALA 88 Cb -0.11 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1r3b s ALA 88 CO -0.09 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.17 1r3b n GLY 89 N 5.30 0.26 0.16 0.00 0.00 -1.26 -4.73 105.19 104.92 1r3b n GLY 89 Ca 0.06 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1r3b n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b h PRO 90 N 0.00 0.46 0.00 1.61 0.13 -2.05 -3.47 132.00 128.69 1r3b h PRO 90 Ca 0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1r3b h PRO 90 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1r3b h PRO 90 CO 0.00 0.90 0.00 -2.13 -0.23 0.00 0.00 178.00 176.54 1r3b n ARG 91 N -4.40 0.00 -4.03 0.86 3.00 -1.26 -5.13 116.66 105.70 1r3b n ARG 91 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.63 1r3b n ARG 91 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.78 1r3b n ARG 91 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1r3b s TYR 92 N -1.52 0.32 -0.16 -0.14 -0.85 -1.26 -4.65 117.35 109.09 1r3b s TYR 92 Ca 0.00 -0.05 -0.09 0.00 -0.52 0.00 0.00 57.07 56.42 1r3b s TYR 92 Cb 0.00 -0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.02 1r3b s TYR 92 CO 0.00 -0.05 0.13 -2.00 -1.52 0.00 0.00 175.55 172.11 1r3b s GLU 93 N 0.28 3.85 -0.01 -3.49 2.12 -1.22 -4.80 118.70 115.43 1r3b s GLU 93 Ca -0.03 -0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.09 1r3b s GLU 93 Cb -0.05 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.03 1r3b s GLU 93 CO -0.01 0.50 0.05 -0.47 -0.54 0.00 0.00 175.26 174.80 1r3b s TYR 94 N -0.23 0.02 0.32 5.30 5.04 -1.26 -4.79 117.35 121.76 1r3b s TYR 94 Ca 0.11 -0.04 -0.10 0.00 -2.44 0.00 0.00 57.07 54.61 1r3b s TYR 94 Cb -0.11 -0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.20 1r3b s TYR 94 CO 0.01 -0.11 0.60 0.72 -1.34 0.00 0.00 175.55 175.42 1r3b n HIS 95 N 2.46 -1.93 -1.73 4.97 8.25 -1.26 -5.11 115.22 120.88 1r3b n HIS 95 Ca -0.17 -1.68 -0.43 0.00 -0.26 0.00 0.00 57.72 55.19 1r3b n HIS 95 Cb 0.58 0.70 -0.03 0.00 1.12 0.00 0.00 29.99 32.36 1r3b n HIS 95 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1r3b s TRP 96 N -3.27 1.37 0.00 4.41 0.51 -1.26 -4.21 118.94 116.49 1r3b s TRP 96 Ca 0.16 0.34 0.00 0.00 -2.12 0.00 0.00 56.10 54.49 1r3b s TRP 96 Cb -0.03 -4.02 0.00 0.00 -0.81 0.00 0.00 33.47 28.60 1r3b s TRP 96 CO 0.12 -4.13 0.00 0.00 -0.51 0.00 0.00 176.95 172.43 1r3b n ALA 97 N 10.30 0.00 -1.64 0.98 0.00 -1.26 -3.53 120.51 125.35 1r3b n ALA 97 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 1r3b n ALA 97 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 1r3b n ALA 97 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r3b s ASP 98 N -1.96 4.31 0.22 0.00 2.15 -1.26 -4.93 116.67 115.20 1r3b s ASP 98 Ca 0.00 0.41 -0.27 0.00 0.43 0.00 0.00 52.55 53.12 1r3b s ASP 98 Cb 0.00 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 1r3b s ASP 98 CO 0.00 -3.28 0.86 -0.83 -0.17 0.00 0.00 175.17 171.75 1r3b s GLY 99 N 10.95 2.97 0.00 2.66 0.00 -1.26 -4.87 107.32 117.77 1r3b s GLY 99 Ca 0.91 0.48 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1r3b s GLY 99 CO 0.15 0.99 0.00 -0.37 0.00 0.00 0.00 173.10 173.87 1r3b n THR 100 N 1.39 0.00 0.01 0.90 5.66 -1.09 -4.12 114.28 117.02 1r3b n THR 100 Ca -0.03 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.75 1r3b n THR 100 Cb 0.48 -0.10 -0.14 0.00 -1.55 0.00 0.00 70.33 69.02 1r3b n THR 100 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1r3b h ASN 101 N 0.00 0.43 0.13 1.09 4.21 -1.97 -3.39 115.58 116.08 1r3b h ASN 101 Ca 0.00 -0.91 -0.22 0.00 1.21 0.00 0.00 56.30 56.38 1r3b h ASN 101 Cb 0.00 -0.14 0.02 0.00 -1.12 0.00 0.00 38.32 37.09 1r3b h ASN 101 CO 0.00 1.79 -0.96 0.40 -1.29 0.00 0.00 177.43 177.38 1r3b h ILE 102 N -0.05 1.42 -3.30 2.81 2.04 -1.96 -3.48 117.51 115.00 1r3b h ILE 102 Ca -0.39 -2.47 -0.51 0.00 1.00 0.00 0.00 64.86 62.49 1r3b h ILE 102 Cb 1.96 2.99 -0.13 0.00 -0.74 0.00 0.00 36.82 40.90 1r3b h ILE 102 CO 0.08 0.72 -0.52 -0.75 0.00 0.00 0.00 178.15 177.68 1r3b s LYS 103 N -2.68 1.82 0.52 2.37 2.20 -1.26 -5.16 119.74 117.55 1r3b s LYS 103 Ca -0.12 -2.09 -0.08 0.00 -0.36 0.00 0.00 55.97 53.32 1r3b s LYS 103 Cb 0.03 -0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 35.95 1r3b s LYS 103 CO 0.87 -0.49 0.87 0.15 -0.36 0.00 0.00 175.35 176.38 1r3b s LYS 104 N -3.69 3.60 0.12 4.03 -0.14 -1.26 -2.67 119.74 119.73 1r3b s LYS 104 Ca 0.29 0.43 -0.31 0.00 -1.36 0.00 0.00 55.97 55.02 1r3b s LYS 104 Cb 0.03 -2.28 -0.08 0.00 -1.68 0.00 0.00 37.83 33.82 1r3b s LYS 104 CO 0.17 -0.30 1.43 -1.25 -0.76 0.00 0.00 175.35 174.65 1r3b s PRO 105 N -4.74 4.29 0.14 -1.68 0.04 -1.26 -4.72 135.00 127.07 1r3b s PRO 105 Ca 0.51 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 63.53 1r3b s PRO 105 Cb -0.10 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1r3b s PRO 105 CO 0.46 -0.48 0.42 -1.50 0.04 0.00 0.00 177.00 175.93 1r3b s ILE 106 N 1.15 0.06 0.48 0.56 2.07 -1.26 -5.14 121.20 119.12 1r3b s ILE 106 Ca 0.66 -0.59 -0.23 0.00 -1.41 0.00 0.00 60.65 59.09 1r3b s ILE 106 Cb -0.38 -1.22 -0.07 0.00 0.13 0.00 0.00 42.46 40.92 1r3b s ILE 106 CO 0.30 -0.28 1.23 -0.54 -1.91 0.00 0.00 174.94 173.75 1r3b s LYS 107 N -3.81 3.57 -0.02 3.50 3.01 -1.26 -4.97 119.74 119.76 1r3b s LYS 107 Ca 0.04 1.93 0.00 0.00 -1.01 0.00 0.00 55.97 56.93 1r3b s LYS 107 Cb 0.01 -2.37 0.02 0.00 -1.01 0.00 0.00 37.83 34.48 1r3b s LYS 107 CO -0.11 -0.75 0.02 0.00 0.51 0.00 0.00 175.35 175.02 1r3b n SER 109 N 3.87 0.80 0.35 0.00 7.64 -1.26 -4.82 113.62 120.20 1r3b n SER 109 Ca -0.23 -0.68 -0.14 0.00 1.01 0.00 0.00 58.87 58.83 1r3b n SER 109 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b h ALA 110 N 0.41 -1.10 -0.09 -0.43 0.00 -1.90 0.88 119.26 117.04 1r3b h ALA 110 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1r3b h ALA 110 Cb 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r3b h ALA 110 CO 0.00 -1.03 0.07 -1.00 0.00 0.00 0.00 179.25 177.29 1r3b h PRO 111 N -1.03 0.00 0.13 0.00 0.13 -1.96 -0.63 132.00 128.65 1r3b h PRO 111 Ca -0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.83 1r3b h PRO 111 Cb 0.70 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.84 1r3b h PRO 111 CO 0.15 0.00 -0.97 -0.22 -0.23 0.00 0.00 178.00 176.73 1r3b h LYS 112 N 0.00 0.28 -0.92 0.86 3.64 -1.92 -3.11 116.57 115.39 1r3b h LYS 112 Ca 0.04 -0.47 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1r3b h LYS 112 Cb 0.19 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1r3b h LYS 112 CO -0.00 1.23 0.53 -0.92 -2.27 0.00 0.00 179.45 178.02 1r3b h TYR 113 N -0.37 1.23 -0.31 1.91 5.03 0.13 -2.16 116.97 122.42 1r3b h TYR 113 Ca -0.19 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.04 1r3b h TYR 113 Cb 1.66 -0.40 -0.02 0.00 1.55 0.00 0.00 36.73 39.53 1r3b h TYR 113 CO 0.18 0.83 -0.13 0.97 -1.32 0.00 0.00 178.16 178.69 1r3b h ILE 114 N 1.27 1.23 -0.33 1.81 2.10 -1.25 -2.97 117.51 119.37 1r3b h ILE 114 Ca 0.33 -1.05 0.03 0.00 1.08 0.00 0.00 64.86 65.25 1r3b h ILE 114 Cb -0.02 1.14 -0.03 0.00 -1.09 0.00 0.00 36.82 36.82 1r3b h ILE 114 CO -0.06 0.34 0.16 -0.78 -1.08 0.00 0.00 178.15 176.74 1r3b h ASP 115 N 0.48 0.23 -0.75 2.19 1.82 -1.32 -1.76 116.42 117.32 1r3b h ASP 115 Ca 0.09 0.02 0.09 0.00 -0.39 0.00 0.00 57.03 56.83 1r3b h ASP 115 Cb 0.51 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.45 1r3b h ASP 115 CO 0.03 0.17 0.49 1.88 -1.61 0.00 0.00 179.24 180.21 1r3b h TYR 116 N 0.34 0.73 0.09 0.28 0.05 -1.36 -1.78 116.97 115.32 1r3b h TYR 116 Ca 0.14 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 1r3b h TYR 116 Cb 0.06 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1r3b h TYR 116 CO -0.10 0.36 -0.04 1.25 -1.05 0.00 0.00 178.16 178.57 1r3b h LEU 117 N 0.70 -0.10 -2.68 3.88 5.85 -1.31 -2.41 115.31 119.25 1r3b h LEU 117 Ca 0.34 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1r3b h LEU 117 Cb 0.40 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1r3b h LEU 117 CO -0.12 0.19 -0.01 0.24 -0.34 0.00 0.00 178.44 178.41 1r3b h MET 118 N -0.41 0.00 0.22 1.25 2.86 -0.87 -2.82 114.93 115.16 1r3b h MET 118 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1r3b h MET 118 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1r3b h MET 118 CO 0.02 0.01 -0.10 1.15 1.06 0.00 0.00 176.91 179.04 1r3b h THR 119 N 0.00 0.41 -0.98 2.22 2.02 -1.04 -2.97 112.91 112.57 1r3b h THR 119 Ca -0.00 -0.97 0.20 0.00 0.77 0.00 0.00 66.41 66.41 1r3b h THR 119 Cb 0.03 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 67.05 1r3b h THR 119 CO 0.00 0.11 0.62 -0.25 0.37 0.00 0.00 175.52 176.37 1r3b h TRP 120 N -1.00 0.92 -0.06 3.16 7.01 -1.21 0.86 115.95 125.62 1r3b h TRP 120 Ca -0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1r3b h TRP 120 Cb 0.41 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1r3b h TRP 120 CO 0.05 0.21 -0.00 -0.39 -2.79 0.00 0.00 178.44 175.51 1r3b h VAL 121 N 0.66 1.26 0.00 2.65 -1.51 -1.60 -3.06 116.25 114.64 1r3b h VAL 121 Ca 0.55 -0.79 -0.03 0.00 -1.23 0.00 0.00 66.70 65.20 1r3b h VAL 121 Cb 1.00 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1r3b h VAL 121 CO -0.32 0.22 -0.16 -0.61 -1.23 0.00 0.00 177.57 175.46 1r3b h GLN 122 N -0.19 0.00 -0.59 5.19 4.15 -1.13 -3.19 115.11 119.36 1r3b h GLN 122 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.53 1r3b h GLN 122 Cb 0.34 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.96 1r3b h GLN 122 CO 0.00 0.16 0.19 0.22 -1.93 0.00 0.00 178.83 177.48 1r3b h ASP 123 N 0.00 0.16 -0.11 -0.69 3.58 0.80 0.82 116.42 120.99 1r3b h ASP 123 Ca -0.00 0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.38 1r3b h ASP 123 Cb 0.91 0.08 0.01 0.00 1.72 0.00 0.00 39.33 42.05 1r3b h ASP 123 CO 0.02 0.10 -0.52 1.56 -2.88 0.00 0.00 179.24 177.51 1r3b h GLN 124 N 0.36 0.55 0.00 0.28 7.50 -1.60 0.48 115.11 122.66 1r3b h GLN 124 Ca 0.30 -0.44 0.00 0.00 0.50 0.00 0.00 58.65 59.01 1r3b h GLN 124 Cb 0.39 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.01 1r3b h GLN 124 CO -0.33 1.07 0.00 -0.07 -1.50 0.00 0.00 178.83 178.00 1r3b h LEU 125 N 0.16 0.00 -2.11 1.46 3.38 -1.34 0.17 115.31 117.03 1r3b h LEU 125 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1r3b h LEU 125 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1r3b h LEU 125 CO 0.11 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.97 1r3b n ASP 126 N -2.93 2.09 -4.01 -0.43 2.03 0.28 -4.85 116.55 108.73 1r3b n ASP 126 Ca -0.02 -1.65 -0.33 0.00 0.52 0.00 0.00 54.79 53.31 1r3b n ASP 126 Cb 0.09 -0.07 -0.12 0.00 -0.72 0.00 0.00 41.12 40.29 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1r3b s ASP 127 N -0.79 4.68 0.62 1.67 1.11 0.16 -4.92 116.67 119.20 1r3b s ASP 127 Ca 0.11 -2.97 0.33 0.00 0.18 0.00 0.00 52.55 50.21 1r3b s ASP 127 Cb 0.07 -1.73 1.87 0.00 1.07 0.00 0.00 42.92 44.20 1r3b s ASP 127 CO 0.09 -0.28 2.15 -0.08 1.18 0.00 0.00 175.17 178.23 1r3b h GLU 128 N 6.69 0.00 -0.26 8.23 4.57 -1.83 -1.48 114.58 130.50 1r3b h GLU 128 Ca -0.05 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1r3b h GLU 128 Cb 0.91 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1r3b h GLU 128 CO 0.70 0.00 0.36 1.79 -1.18 0.00 0.00 179.01 180.68 1r3b h THR 129 N 0.00 0.30 0.00 0.32 1.35 -1.91 -1.08 112.91 111.89 1r3b h THR 129 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1r3b h THR 129 Cb 0.37 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1r3b h THR 129 CO -0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1r3b n LEU 130 N -3.53 1.00 -3.46 3.87 -0.00 -0.58 -4.86 117.00 109.44 1r3b n LEU 130 Ca 0.04 -1.00 -0.26 0.00 -0.00 0.00 0.00 56.01 54.78 1r3b n LEU 130 Cb 0.49 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.82 1r3b n LEU 130 CO 0.24 0.25 -0.08 0.49 -0.00 0.00 0.00 177.39 178.29 1r3b n PHE 131 N -0.12 2.09 -0.90 1.47 3.01 -0.41 -5.04 117.46 117.57 1r3b n PHE 131 Ca 0.00 -3.95 -0.25 0.00 1.01 0.00 0.00 57.45 54.26 1r3b n PHE 131 Cb 0.13 -0.43 0.21 0.00 -0.01 0.00 0.00 39.48 39.38 1r3b n PHE 131 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1r3b n PRO 132 N 1.42 -2.89 -0.06 -1.08 -0.02 -1.24 -4.65 135.00 126.47 1r3b n PRO 132 Ca 0.26 -1.42 -0.08 0.00 -2.02 0.00 0.00 63.50 60.24 1r3b n PRO 132 Cb 0.44 -1.36 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 1r3b n PRO 132 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1r3b n SER 133 N -4.60 2.79 -2.69 2.55 3.41 -1.26 -4.93 113.62 108.89 1r3b n SER 133 Ca 0.12 -0.04 -0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1r3b n SER 133 Cb 0.48 0.17 0.07 0.00 -0.26 0.00 0.00 64.21 64.68 1r3b n SER 133 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1r3b n LYS 134 N -2.69 0.39 -4.25 4.33 0.00 -1.26 -5.10 118.16 109.58 1r3b n LYS 134 Ca -0.21 -1.10 -0.20 0.00 0.00 0.00 0.00 58.31 56.81 1r3b n LYS 134 Cb 0.78 -0.64 -0.12 0.00 0.00 0.00 0.00 35.03 35.05 1r3b n LYS 134 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1r3b s ILE 135 N 0.28 1.43 -0.85 3.15 1.10 -1.26 -5.05 121.20 120.00 1r3b s ILE 135 Ca 0.27 -1.64 -0.23 0.00 -0.51 0.00 0.00 60.65 58.54 1r3b s ILE 135 Cb 0.23 -1.50 -0.21 0.00 0.15 0.00 0.00 42.46 41.14 1r3b s ILE 135 CO -0.14 -0.30 2.43 0.61 -2.11 0.00 0.00 174.94 175.43 1r3b n GLY 136 N 0.73 -0.29 3.48 1.50 0.00 -1.26 -4.84 105.19 104.52 1r3b n GLY 136 Ca -0.17 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1r3b n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3b s VAL 137 N 8.30 -0.00 -1.15 1.61 0.11 -1.26 -5.08 120.40 122.93 1r3b s VAL 137 Ca 1.19 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 60.01 1r3b s VAL 137 Cb -0.70 -0.80 -0.11 0.00 -1.53 0.00 0.00 36.38 33.24 1r3b s VAL 137 CO 0.39 0.00 1.95 -0.81 -3.33 0.00 0.00 175.10 173.30 1r3b n PRO 138 N 2.88 1.40 -0.05 1.54 -0.04 -1.26 -4.77 135.00 134.70 1r3b n PRO 138 Ca -0.14 -2.34 -0.08 0.00 -0.04 0.00 0.00 63.50 60.89 1r3b n PRO 138 Cb 0.56 -3.72 -0.02 0.00 -0.04 0.00 0.00 33.50 30.28 1r3b n PRO 138 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1r3b h PHE 139 N 9.86 0.07 -0.03 0.54 3.04 -1.96 0.29 116.94 128.74 1r3b h PHE 139 Ca 0.20 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.17 1r3b h PHE 139 Cb 0.93 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.44 1r3b h PHE 139 CO 1.18 0.02 0.00 -0.35 -2.02 0.00 0.00 178.31 177.14 1r3b n PRO 140 N -5.09 1.08 0.00 6.41 -0.04 -1.26 -0.98 135.00 135.13 1r3b n PRO 140 Ca -0.02 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1r3b n PRO 140 Cb 0.10 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1r3b n PRO 140 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1r3b n LYS 141 N -0.46 0.00 0.28 0.54 0.00 -0.72 -4.61 118.16 113.19 1r3b n LYS 141 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.23 1r3b n LYS 141 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.01 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1r3b h ASN 142 N 0.00 -0.63 0.13 3.14 -0.73 -0.66 -0.29 115.58 116.54 1r3b h ASN 142 Ca 0.00 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 1r3b h ASN 142 Cb 0.00 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 1r3b h ASN 142 CO 0.00 -0.24 -0.13 0.15 -0.37 0.00 0.00 177.43 176.85 1r3b h PHE 143 N -1.14 0.00 -0.08 0.67 3.04 -1.49 -0.83 116.94 117.10 1r3b h PHE 143 Ca -0.08 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.80 1r3b h PHE 143 Cb 0.61 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1r3b h PHE 143 CO 0.01 0.13 -0.22 1.98 -2.02 0.00 0.00 178.31 178.18 1r3b h MET 144 N 0.00 0.30 -0.61 1.11 4.05 -1.05 0.97 114.93 119.70 1r3b h MET 144 Ca -0.00 -0.21 -0.07 0.00 -0.28 0.00 0.00 59.70 59.14 1r3b h MET 144 Cb 0.22 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 1r3b h MET 144 CO 0.02 0.82 0.09 1.03 0.23 0.00 0.00 176.91 179.09 1r3b h SER 145 N -0.18 0.97 -0.20 1.39 0.87 -0.73 -0.26 113.55 115.42 1r3b h SER 145 Ca -0.00 -0.27 -0.12 0.00 -1.23 0.00 0.00 61.79 60.17 1r3b h SER 145 Cb 0.83 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1r3b h SER 145 CO 0.05 0.99 -0.33 1.62 -0.53 0.00 0.00 176.83 178.62 1r3b h VAL 146 N 0.91 1.33 -0.20 2.23 3.04 -1.20 -2.87 116.25 119.49 1r3b h VAL 146 Ca 0.18 -1.55 -0.05 0.00 -1.01 0.00 0.00 66.70 64.27 1r3b h VAL 146 Cb 0.44 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 1r3b h VAL 146 CO 0.01 0.48 -0.09 0.00 -1.01 0.00 0.00 177.57 176.96 1r3b h ALA 147 N 0.61 1.48 -0.39 3.17 0.00 -0.71 -2.83 119.26 120.59 1r3b h ALA 147 Ca 0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1r3b h ALA 147 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1r3b h ALA 147 CO 0.08 0.37 -0.16 -0.22 0.00 0.00 0.00 179.25 179.31 1r3b h LYS 148 N 0.30 0.81 0.00 0.00 3.64 -0.98 -2.90 116.57 117.43 1r3b h LYS 148 Ca 0.06 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1r3b h LYS 148 Cb 0.35 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1r3b h LYS 148 CO 0.02 0.97 -0.08 0.00 -2.27 0.00 0.00 179.45 178.08 1r3b h THR 149 N 0.61 0.84 0.17 1.00 1.03 -1.27 -2.13 112.91 113.16 1r3b h THR 149 Ca 0.09 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 66.17 1r3b h THR 149 Cb 0.71 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1r3b h THR 149 CO 0.05 0.08 -0.08 0.40 -0.01 0.00 0.00 175.52 175.96 1r3b h ILE 150 N 0.00 0.93 0.00 0.00 2.04 -1.40 -1.66 117.51 117.42 1r3b h ILE 150 Ca -0.00 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1r3b h ILE 150 Cb 0.17 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1r3b h ILE 150 CO 0.01 0.19 -0.03 -0.07 0.00 0.00 0.00 178.15 178.25 1r3b h LEU 151 N -0.70 0.00 -0.01 1.44 3.38 -1.41 0.53 115.31 118.53 1r3b h LEU 151 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r3b h LEU 151 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1r3b h LEU 151 CO 0.04 0.03 -0.03 0.11 0.09 0.00 0.00 178.44 178.68 1r3b h LYS 152 N 0.00 0.04 -0.00 1.13 1.57 -1.33 -3.08 116.57 114.89 1r3b h LYS 152 Ca -0.00 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1r3b h LYS 152 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1r3b h LYS 152 CO 0.00 0.66 -0.76 0.07 -0.57 0.00 0.00 179.45 178.85 1r3b h ARG 153 N -0.58 0.04 -0.03 3.15 -0.00 -0.97 -3.29 114.38 112.70 1r3b h ARG 153 Ca -0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 59.98 59.95 1r3b h ARG 153 Cb 0.66 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.63 1r3b h ARG 153 CO 0.01 0.78 -0.02 -0.07 -0.00 0.00 0.00 179.97 180.67 1r3b h LEU 154 N 0.02 -0.06 -1.92 0.08 3.38 -0.03 -2.10 115.31 114.68 1r3b h LEU 154 Ca -0.01 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1r3b h LEU 154 Cb 1.35 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1r3b h LEU 154 CO 0.10 -0.03 0.21 0.15 0.09 0.00 0.00 178.44 178.96 1r3b h PHE 155 N -0.02 0.10 -0.12 1.13 3.04 -1.60 -2.36 116.94 117.09 1r3b h PHE 155 Ca 0.02 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.02 1r3b h PHE 155 Cb 0.05 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.47 1r3b h PHE 155 CO -0.11 0.05 -0.22 -0.09 -2.02 0.00 0.00 178.31 175.93 1r3b h ARG 156 N 0.10 -0.27 -0.29 1.11 9.65 -1.45 0.92 114.38 124.15 1r3b h ARG 156 Ca 0.14 0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.90 1r3b h ARG 156 Cb 0.43 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1r3b h ARG 156 CO -0.01 -0.18 -0.36 -0.39 2.80 0.00 0.00 179.97 181.83 1r3b h VAL 157 N -0.28 1.29 -0.22 0.20 -1.51 -1.46 -1.38 116.25 112.89 1r3b h VAL 157 Ca 0.10 -1.51 0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1r3b h VAL 157 Cb 0.42 1.45 -0.03 0.00 -2.13 0.00 0.00 31.29 31.00 1r3b h VAL 157 CO -0.29 0.49 0.04 0.22 -1.23 0.00 0.00 177.57 176.80 1r3b h TYR 158 N 0.55 0.06 0.00 5.19 3.20 -0.90 -2.39 116.97 122.68 1r3b h TYR 158 Ca 0.06 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 1r3b h TYR 158 Cb 0.87 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 1r3b h TYR 158 CO 0.04 0.01 -0.60 0.00 -1.64 0.00 0.00 178.16 175.98 1r3b h ALA 159 N 1.17 0.91 -1.00 1.82 0.00 -0.80 -3.25 119.26 118.10 1r3b h ALA 159 Ca 0.10 -0.54 0.24 0.00 0.00 0.00 0.00 54.91 54.71 1r3b h ALA 159 Cb 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1r3b h ALA 159 CO -0.14 0.75 0.65 1.25 0.00 0.00 0.00 179.25 181.76 1r3b h HIS 160 N 0.00 0.63 -0.91 0.00 -0.00 -0.70 0.21 115.15 114.38 1r3b h HIS 160 Ca -0.01 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1r3b h HIS 160 Cb 1.13 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 28.30 1r3b h HIS 160 CO 0.00 0.10 0.60 -0.84 -0.00 0.00 0.00 177.93 177.78 1r3b h ILE 161 N 0.41 1.18 0.02 6.26 3.07 -1.59 -2.06 117.51 124.80 1r3b h ILE 161 Ca 0.55 -0.40 0.03 0.00 1.55 0.00 0.00 64.86 66.59 1r3b h ILE 161 Cb 1.39 -0.09 -0.05 0.00 -0.27 0.00 0.00 36.82 37.80 1r3b h ILE 161 CO -0.25 0.21 -0.34 1.88 -1.05 0.00 0.00 178.15 178.60 1r3b h TYR 162 N 1.17 -0.94 0.00 0.16 -1.99 -1.16 1.82 116.97 116.03 1r3b h TYR 162 Ca 0.35 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.11 1r3b h TYR 162 Cb -0.04 0.41 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1r3b h TYR 162 CO -0.00 -0.43 0.00 1.12 -0.00 0.00 0.00 178.16 178.85 1r3b h HIS 163 N -0.50 0.00 0.00 4.88 2.07 -1.59 -3.08 115.15 116.93 1r3b h HIS 163 Ca 0.05 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.44 1r3b h HIS 163 Cb 0.58 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.54 1r3b h HIS 163 CO -0.35 0.00 -1.45 0.94 -3.07 0.00 0.00 177.93 174.00 1r3b n GLN 164 N -2.60 0.54 -3.13 5.12 -0.06 -0.63 -4.90 117.38 111.72 1r3b n GLN 164 Ca 0.02 0.22 -0.21 0.00 -2.00 0.00 0.00 57.00 55.03 1r3b n GLN 164 Cb 0.32 -1.43 -0.05 0.00 -4.06 0.00 0.00 30.24 25.02 1r3b n GLN 164 CO 0.00 0.00 0.00 -2.39 -0.20 0.00 0.00 177.06 174.47 1r3b n HIS 165 N -4.37 -0.71 -0.15 3.69 1.44 0.61 -4.96 115.22 110.78 1r3b n HIS 165 Ca -0.26 -3.35 -0.11 0.00 -2.01 0.00 0.00 57.72 51.99 1r3b n HIS 165 Cb 0.62 -0.11 -0.01 0.00 0.12 0.00 0.00 29.99 30.61 1r3b n HIS 165 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1r3b h PHE 166 N 3.91 0.91 -0.67 -1.40 3.04 -1.32 -2.94 116.94 118.48 1r3b h PHE 166 Ca 0.04 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 61.79 1r3b h PHE 166 Cb 0.91 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 1r3b h PHE 166 CO 0.33 0.92 0.38 0.22 -2.02 0.00 0.00 178.31 178.14 1r3b h ASP 167 N 0.64 0.81 -0.53 0.41 3.58 -1.89 -1.88 116.42 117.55 1r3b h ASP 167 Ca 0.11 -0.06 0.12 0.00 0.42 0.00 0.00 57.03 57.62 1r3b h ASP 167 Cb 0.62 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1r3b h ASP 167 CO 0.04 0.64 0.37 0.00 -2.88 0.00 0.00 179.24 177.41 1r3b h ALA 168 N 1.49 2.22 0.06 -0.78 0.00 -1.91 -0.81 119.26 119.54 1r3b h ALA 168 Ca 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1r3b h ALA 168 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r3b h ALA 168 CO -0.04 -0.36 -0.11 0.28 0.00 0.00 0.00 179.25 179.02 1r3b h VAL 169 N 0.20 0.73 0.00 0.00 2.07 -1.36 -2.29 116.25 115.61 1r3b h VAL 169 Ca 0.25 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.68 1r3b h VAL 169 Cb 0.72 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1r3b h VAL 169 CO -0.04 0.00 -0.45 0.24 0.02 0.00 0.00 177.57 177.33 1r3b h MET 170 N -0.22 0.00 -0.63 1.57 2.07 -1.46 -3.20 114.93 113.06 1r3b h MET 170 Ca 0.02 0.00 0.06 0.00 -2.07 0.00 0.00 59.70 57.71 1r3b h MET 170 Cb 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 29.92 1r3b h MET 170 CO -0.07 0.45 0.34 1.96 1.07 0.00 0.00 176.91 180.66 1r3b h GLN 171 N 0.00 0.62 -0.34 1.72 4.20 -0.62 -1.48 115.11 119.21 1r3b h GLN 171 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1r3b h GLN 171 Cb 0.96 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1r3b h GLN 171 CO 0.06 0.41 0.18 1.37 -0.67 0.00 0.00 178.83 180.18 1r3b h LEU 172 N 0.64 0.41 0.00 1.46 8.10 -1.47 -3.46 115.31 120.99 1r3b h LEU 172 Ca 0.28 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.25 1r3b h LEU 172 Cb 0.17 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1r3b h LEU 172 CO -0.18 0.34 0.00 1.67 -4.11 0.00 0.00 178.44 176.16 1r3b n GLN 173 N -4.44 0.00 -3.77 0.17 7.27 -0.56 -5.16 117.38 110.88 1r3b n GLN 173 Ca 0.02 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.01 1r3b n GLN 173 Cb 0.10 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.73 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1r3b s GLU 174 N -1.48 1.63 -0.35 3.69 -1.05 -1.19 -4.87 118.70 115.08 1r3b s GLU 174 Ca 0.00 -0.86 0.06 0.00 -0.15 0.00 0.00 54.97 54.02 1r3b s GLU 174 Cb 0.00 0.58 0.62 0.00 -0.44 0.00 0.00 34.13 34.90 1r3b s GLU 174 CO 0.00 -0.74 1.75 -1.91 0.95 0.00 0.00 175.26 175.31 1r3b n GLU 175 N -0.44 2.72 0.07 -4.83 2.13 -1.26 -4.30 120.64 114.72 1r3b n GLU 175 Ca -0.06 -2.67 -0.21 0.00 0.66 0.00 0.00 57.16 54.88 1r3b n GLU 175 Cb 0.60 -2.07 -0.15 0.00 0.27 0.00 0.00 31.44 30.09 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1r3b h ALA 176 N 1.82 0.20 -0.39 4.31 0.00 -1.96 -2.72 119.26 120.53 1r3b h ALA 176 Ca 0.41 -1.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 1r3b h ALA 176 Cb 2.43 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.59 1r3b h ALA 176 CO 0.83 1.07 -0.00 0.45 0.00 0.00 0.00 179.25 181.60 1r3b h HIS 177 N 0.09 0.64 0.10 0.00 3.86 -1.98 0.71 115.15 118.57 1r3b h HIS 177 Ca -0.31 -0.07 -0.27 0.00 -1.16 0.00 0.00 60.37 58.56 1r3b h HIS 177 Cb 2.07 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 30.37 1r3b h HIS 177 CO 0.09 0.62 -1.17 1.25 0.86 0.00 0.00 177.93 179.57 1r3b h LEU 178 N 0.58 0.62 -0.04 2.43 5.85 -1.84 -2.80 115.31 120.11 1r3b h LEU 178 Ca 0.12 -0.59 -0.13 0.00 0.84 0.00 0.00 57.88 58.13 1r3b h LEU 178 Cb 0.37 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1r3b h LEU 178 CO 0.01 1.42 -0.46 0.78 -0.34 0.00 0.00 178.44 179.85 1r3b h ASN 179 N 0.18 0.48 -0.30 1.25 2.35 -1.20 -2.38 115.58 115.97 1r3b h ASN 179 Ca -0.14 -0.70 0.02 0.00 -0.55 0.00 0.00 56.30 54.92 1r3b h ASN 179 Cb 1.86 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 40.06 1r3b h ASN 179 CO 0.21 1.11 0.15 0.00 -1.65 0.00 0.00 177.43 177.25 1r3b h THR 180 N -0.11 0.99 -0.07 2.81 1.03 0.33 -1.69 112.91 116.19 1r3b h THR 180 Ca -0.05 -0.11 -0.06 0.00 -0.01 0.00 0.00 66.41 66.19 1r3b h THR 180 Cb 1.14 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 68.86 1r3b h THR 180 CO 0.09 0.06 -0.21 0.28 -0.01 0.00 0.00 175.52 175.73 1r3b h SER 181 N 0.31 0.11 -0.77 0.00 0.02 -1.57 -2.58 113.55 109.07 1r3b h SER 181 Ca 0.13 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1r3b h SER 181 Cb 0.04 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1r3b h SER 181 CO -0.09 0.34 0.33 0.15 -1.14 0.00 0.00 176.83 176.41 1r3b h PHE 182 N 0.11 1.15 -0.97 3.45 3.57 -0.77 -2.53 116.94 120.95 1r3b h PHE 182 Ca 0.02 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1r3b h PHE 182 Cb 0.44 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1r3b h PHE 182 CO 0.00 0.86 0.63 -0.22 -2.23 0.00 0.00 178.31 177.35 1r3b h LYS 183 N 1.12 1.17 -0.63 1.11 3.64 -1.01 -1.92 116.57 120.05 1r3b h LYS 183 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1r3b h LYS 183 Cb 0.18 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1r3b h LYS 183 CO -0.03 0.77 0.41 0.45 -2.27 0.00 0.00 179.45 178.79 1r3b h HIS 184 N 1.20 0.79 0.00 1.91 3.86 -1.47 0.91 115.15 122.36 1r3b h HIS 184 Ca 0.39 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1r3b h HIS 184 Cb 0.04 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 1r3b h HIS 184 CO -0.01 0.51 -0.01 0.74 0.86 0.00 0.00 177.93 180.02 1r3b h PHE 185 N 0.85 0.00 0.00 2.45 -1.00 -1.19 0.14 116.94 118.18 1r3b h PHE 185 Ca 0.23 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.93 1r3b h PHE 185 Cb -0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1r3b h PHE 185 CO -0.03 0.01 -1.06 -0.89 -1.61 0.00 0.00 178.31 174.74 1r3b n ILE 186 N -3.20 1.48 -0.22 -0.55 2.08 -0.29 -4.11 119.36 114.55 1r3b n ILE 186 Ca -0.02 0.09 0.04 0.00 0.56 0.00 0.00 62.75 63.41 1r3b n ILE 186 Cb 0.14 -2.28 0.29 0.00 -0.75 0.00 0.00 39.64 37.04 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1r3b h PHE 187 N -1.00 0.90 0.59 1.39 0.04 0.78 -0.26 116.94 119.37 1r3b h PHE 187 Ca -0.12 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 1r3b h PHE 187 Cb 0.94 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1r3b h PHE 187 CO -0.28 0.51 -0.36 0.35 -0.60 0.00 0.00 178.31 177.93 1r3b h PHE 188 N 0.92 -0.95 -0.68 -0.55 3.57 -0.90 0.69 116.94 119.04 1r3b h PHE 188 Ca 0.32 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 1r3b h PHE 188 Cb 0.10 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1r3b h PHE 188 CO -0.00 -0.55 0.21 -0.39 -2.23 0.00 0.00 178.31 175.35 1r3b h VAL 189 N -0.90 1.25 0.00 1.41 -1.51 -1.67 -2.46 116.25 112.38 1r3b h VAL 189 Ca -0.07 -0.88 -0.08 0.00 -1.23 0.00 0.00 66.70 64.44 1r3b h VAL 189 Cb 0.73 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1r3b h VAL 189 CO 0.08 0.34 -0.36 1.56 -1.23 0.00 0.00 177.57 177.96 1r3b h GLN 190 N 1.00 0.00 0.35 5.19 4.20 -0.90 0.82 115.11 125.77 1r3b h GLN 190 Ca 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1r3b h GLN 190 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1r3b h GLN 190 CO -0.01 0.36 -0.17 0.93 -0.67 0.00 0.00 178.83 179.28 1r3b h GLU 191 N 0.00 -0.46 -0.01 1.46 4.39 0.85 -3.19 114.58 117.63 1r3b h GLU 191 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1r3b h GLU 191 Cb 0.64 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1r3b h GLU 191 CO 0.05 -0.15 -0.07 1.19 -1.16 0.00 0.00 179.01 178.86 1r3b n PHE 192 N -5.17 0.00 -2.32 4.33 3.01 -1.04 -4.93 117.46 111.34 1r3b n PHE 192 Ca -0.10 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.17 1r3b n PHE 192 Cb 0.27 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 1r3b n PHE 192 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1r3b n ASN 193 N 0.01 -5.49 0.21 4.37 2.85 0.27 -4.84 115.26 112.65 1r3b n ASN 193 Ca 0.17 0.07 0.10 0.00 -0.11 0.00 0.00 54.58 54.81 1r3b n ASN 193 Cb 0.36 -4.62 0.64 0.00 1.24 0.00 0.00 39.78 37.41 1r3b n ASN 193 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1r3b h LEU 194 N 0.00 0.01 -9.06 1.20 5.85 -1.58 -3.41 115.31 108.32 1r3b h LEU 194 Ca -0.45 -0.00 -0.68 0.00 0.84 0.00 0.00 57.88 57.59 1r3b h LEU 194 Cb 1.33 -0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.16 1r3b h LEU 194 CO 0.54 0.01 -0.75 -0.63 -0.34 0.00 0.00 178.44 177.28 1r3b s ILE 195 N -5.07 3.28 -0.36 4.05 -1.09 -1.26 -5.02 121.20 115.73 1r3b s ILE 195 Ca -0.05 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1r3b s ILE 195 Cb 0.17 -2.37 0.53 0.00 -1.58 0.00 0.00 42.46 39.21 1r3b s ILE 195 CO 0.68 0.44 1.74 0.47 -1.23 0.00 0.00 174.94 177.04 1r3b n ASP 196 N 1.78 3.65 0.00 3.58 8.00 -1.26 -4.83 116.55 127.47 1r3b n ASP 196 Ca -0.16 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.06 1r3b n ASP 196 Cb 0.52 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1r3b n ASP 196 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1r3b n ARG 197 N -0.80 -0.01 -0.04 -1.24 0.63 -1.26 -4.87 116.66 109.07 1r3b n ARG 197 Ca 0.48 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 57.26 1r3b n ARG 197 Cb 1.42 -2.89 -0.09 0.00 0.45 0.00 0.00 32.46 31.36 1r3b n ARG 197 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1r3b h ARG 198 N 2.40 0.36 0.00 -0.14 3.08 -2.01 -3.20 114.38 114.87 1r3b h ARG 198 Ca 0.00 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1r3b h ARG 198 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1r3b h ARG 198 CO 0.00 0.87 -0.13 1.49 -1.07 0.00 0.00 179.97 181.14 1r3b h GLU 199 N -0.10 0.00 -0.69 0.04 4.22 -1.96 -3.22 114.58 112.87 1r3b h GLU 199 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1r3b h GLU 199 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1r3b h GLU 199 CO 0.06 0.00 0.00 1.28 -2.18 0.00 0.00 179.01 178.17 1r3b n LEU 200 N -2.58 2.79 -0.01 1.64 4.77 -1.21 -4.23 117.00 118.17 1r3b n LEU 200 Ca 0.04 -1.41 -0.12 0.00 -0.03 0.00 0.00 56.01 54.49 1r3b n LEU 200 Cb 0.48 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1r3b n LEU 200 CO 0.33 0.43 0.44 0.00 -1.33 0.00 0.00 177.39 177.26 1r3b h ALA 201 N 3.09 -0.07 0.00 -1.18 0.00 -1.59 -3.36 119.26 116.15 1r3b h ALA 201 Ca 0.00 -0.32 -0.50 0.00 0.00 0.00 0.00 54.91 54.09 1r3b h ALA 201 Cb 0.98 0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.85 1r3b h ALA 201 CO 0.17 -0.17 2.08 -2.30 0.00 0.00 0.00 179.25 179.03 1r3b n PRO 202 N -4.79 1.23 0.00 0.00 -0.02 -1.26 -2.46 135.00 127.70 1r3b n PRO 202 Ca -0.08 -1.46 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 1r3b n PRO 202 Cb 0.32 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1r3b n PRO 202 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1r3b n LEU 203 N 6.65 0.00 -0.15 2.45 -0.00 -1.26 -4.95 117.00 119.74 1r3b n LEU 203 Ca 0.42 0.00 0.29 0.00 -0.00 0.00 0.00 56.01 56.72 1r3b n LEU 203 Cb 0.29 0.00 0.70 0.00 -0.00 0.00 0.00 43.42 44.42 1r3b n LEU 203 CO 0.93 0.00 1.26 -0.61 -0.00 0.00 0.00 177.39 178.97 1r3b h GLN 204 N 0.00 0.00 0.00 1.47 4.15 -1.63 0.13 115.11 119.24 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1r3b h GLN 204 CO 0.00 0.00 -0.00 0.93 -1.93 0.00 0.00 178.83 177.83 1r3b h GLU 205 N 0.00 -0.00 -0.04 1.69 4.39 -1.93 -2.89 114.58 115.80 1r3b h GLU 205 Ca 0.41 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.04 1r3b h GLU 205 Cb 1.91 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 1r3b h GLU 205 CO -0.00 0.79 -0.34 1.37 -1.16 0.00 0.00 179.01 179.67 1r3b h LEU 206 N -0.82 0.08 -0.42 1.33 8.10 -1.43 -0.15 115.31 122.00 1r3b h LEU 206 Ca -0.00 -0.03 -0.14 0.00 0.11 0.00 0.00 57.88 57.82 1r3b h LEU 206 Cb 0.80 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.99 1r3b h LEU 206 CO 0.00 0.42 -0.29 0.40 -4.11 0.00 0.00 178.44 174.86 1r3b h ILE 207 N 0.07 1.27 0.07 0.15 1.08 -0.92 -2.14 117.51 117.10 1r3b h ILE 207 Ca 0.01 -1.45 -0.28 0.00 -0.39 0.00 0.00 64.86 62.74 1r3b h ILE 207 Cb 0.63 1.27 0.03 0.00 -3.07 0.00 0.00 36.82 35.68 1r3b h ILE 207 CO 0.05 0.49 -1.16 1.05 -0.69 0.00 0.00 178.15 177.89 1r3b h GLU 208 N 0.77 0.64 -0.13 2.37 4.11 -1.30 -3.23 114.58 117.81 1r3b h GLU 208 Ca 0.08 -0.79 -0.02 0.00 0.07 0.00 0.00 59.36 58.71 1r3b h GLU 208 Cb 0.87 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1r3b h GLU 208 CO 0.08 1.35 -0.01 -0.22 0.07 0.00 0.00 179.01 180.27 1r3b h LYS 209 N 0.32 0.18 0.00 1.06 3.64 -1.03 -0.47 116.57 120.27 1r3b h LYS 209 Ca -0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1r3b h LYS 209 Cb 1.82 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1r3b h LYS 209 CO 0.22 0.22 0.00 -0.11 -2.27 0.00 0.00 179.45 177.51 1r3b n LEU 210 N -4.41 0.00 0.00 5.20 7.94 -0.81 -4.54 117.00 120.38 1r3b n LEU 210 Ca -0.01 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1r3b n LEU 210 Cb 0.16 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.84 1r3b n LEU 210 CO 0.36 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 1r3b n GLY 211 N 0.81 -1.99 2.40 -3.96 0.00 -0.18 -5.00 105.19 97.28 1r3b n GLY 211 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1r3b n GLY 211 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 212 N 0.00 -7.80 -3.71 1.61 7.64 -1.26 -5.06 113.62 105.04 1r3b n SER 212 Ca 0.00 1.78 -0.13 0.00 1.01 0.00 0.00 58.87 61.53 1r3b n SER 212 Cb 0.00 -5.26 -0.14 0.00 -1.01 0.00 0.00 64.21 57.80 1r3b n SER 212 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1r3b s LYS 213 N -0.63 0.16 -0.24 1.43 -2.85 -1.26 -5.05 119.74 111.30 1r3b s LYS 213 Ca -0.06 0.55 -0.18 0.00 -1.00 0.00 0.00 55.97 55.28 1r3b s LYS 213 Cb 0.00 -0.13 -0.15 0.00 -2.06 0.00 0.00 37.83 35.49 1r3b s LYS 213 CO 0.16 -0.20 -0.07 -3.47 0.10 0.00 0.00 175.35 171.87 1r3b n ASP 214 N 4.53 1.90 -0.19 0.03 2.03 -1.26 -5.34 116.55 118.25 1r3b n ASP 214 Ca -0.20 0.39 0.15 0.00 0.52 0.00 0.00 54.79 55.65 1r3b n ASP 214 Cb 0.52 -0.89 0.78 0.00 -0.72 0.00 0.00 41.12 40.80 1r3b n ASP 214 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82