#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 2.34 2.93 3.17 0.00 -1.26 -5.15 105.19 107.22 1r3b n GLY 15 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 16 N 1.00 0.36 -0.31 1.61 0.01 -1.26 -5.12 113.70 110.00 1r3b s SER 16 Ca 0.00 0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.69 1r3b s SER 16 Cb 0.00 0.41 0.10 0.00 0.21 0.00 0.00 66.02 66.74 1r3b s SER 16 CO 0.00 -0.22 0.09 -0.55 0.41 0.00 0.00 173.24 172.98 1r3b s SER 17 N 2.03 4.06 -0.24 2.44 0.15 -1.26 -5.10 113.70 115.78 1r3b s SER 17 Ca -0.01 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1r3b s SER 17 Cb -0.12 -0.90 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 1r3b s SER 17 CO -0.07 -0.41 -0.10 -2.28 1.20 0.00 0.00 173.24 171.58 1r3b s HIS 18 N 1.59 3.07 0.28 3.44 5.65 -1.26 -5.11 115.29 122.94 1r3b s HIS 18 Ca 0.10 -1.79 0.10 0.00 0.25 0.00 0.00 55.06 53.72 1r3b s HIS 18 Cb -0.17 -2.00 -0.05 0.00 -1.18 0.00 0.00 32.58 29.18 1r3b s HIS 18 CO -0.24 -0.79 -0.06 -1.01 -0.65 0.00 0.00 174.74 171.99 1r3b s HIS 19 N 1.26 2.56 0.11 3.88 0.09 -1.26 -5.14 115.29 116.78 1r3b s HIS 19 Ca -0.01 -0.28 0.02 0.00 -0.00 0.00 0.00 55.06 54.79 1r3b s HIS 19 Cb -0.17 -1.16 -0.04 0.00 -0.00 0.00 0.00 32.58 31.21 1r3b s HIS 19 CO -0.06 0.64 0.18 -3.38 -0.00 0.00 0.00 174.74 172.11 1r3b s HIS 20 N -2.40 3.34 -0.14 1.40 -0.00 -1.26 -5.11 115.29 111.12 1r3b s HIS 20 Ca 0.31 0.11 -0.03 0.00 -0.00 0.00 0.00 55.06 55.46 1r3b s HIS 20 Cb -0.05 -1.65 0.05 0.00 -0.00 0.00 0.00 32.58 30.93 1r3b s HIS 20 CO 0.18 0.54 0.03 -3.38 -0.00 0.00 0.00 174.74 172.12 1r3b s HIS 21 N -1.58 0.73 -0.11 0.38 0.00 -1.26 -5.13 115.29 108.31 1r3b s HIS 21 Ca 0.32 -0.48 -0.00 0.00 -3.00 0.00 0.00 55.06 51.90 1r3b s HIS 21 Cb -0.12 -0.87 -0.02 0.00 -4.00 0.00 0.00 32.58 27.57 1r3b s HIS 21 CO 0.25 -0.48 -0.11 -1.58 -1.00 0.00 0.00 174.74 171.83 1r3b s HIS 22 N 1.96 2.85 -0.29 0.38 5.65 -1.26 -5.08 115.29 119.49 1r3b s HIS 22 Ca 0.02 -0.43 0.02 0.00 0.25 0.00 0.00 55.06 54.93 1r3b s HIS 22 Cb -0.15 -1.81 0.17 0.00 -1.18 0.00 0.00 32.58 29.60 1r3b s HIS 22 CO -0.07 -0.05 0.44 -1.58 -0.65 0.00 0.00 174.74 172.83 1r3b s HIS 23 N 0.04 -1.15 0.81 3.88 5.65 -1.26 -5.16 115.29 118.10 1r3b s HIS 23 Ca -0.04 0.51 -0.11 0.00 0.25 0.00 0.00 55.06 55.68 1r3b s HIS 23 Cb -0.14 -0.05 0.10 0.00 -1.18 0.00 0.00 32.58 31.31 1r3b s HIS 23 CO 0.04 -0.98 1.15 0.45 -0.65 0.00 0.00 174.74 174.75 1r3b s SER 24 N 2.60 4.30 0.24 9.88 0.15 -1.26 -5.04 113.70 124.56 1r3b s SER 24 Ca 0.10 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1r3b s SER 24 Cb -0.12 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1r3b s SER 24 CO -0.28 -1.99 0.00 -1.20 1.20 0.00 0.00 173.24 170.97 1r3b n SER 25 N -3.27 0.16 0.00 5.45 7.64 -1.26 -5.17 113.62 117.17 1r3b n SER 25 Ca 0.10 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1r3b n SER 25 Cb 0.60 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 2.04 2.43 1.46 0.23 0.00 -1.26 -5.11 105.19 104.97 1r3b n GLY 26 Ca 0.00 -1.29 0.17 0.00 0.00 0.00 0.00 46.02 44.90 1r3b n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r3b n LEU 27 N 0.00 -1.07 -4.56 0.99 7.94 -1.26 -4.68 117.00 114.36 1r3b n LEU 27 Ca 0.00 2.47 -0.43 0.00 -1.11 0.00 0.00 56.01 56.94 1r3b n LEU 27 Cb 0.00 -3.07 -0.04 0.00 0.53 0.00 0.00 43.42 40.83 1r3b n LEU 27 CO 0.00 -2.13 0.73 0.54 -1.11 0.00 0.00 177.39 175.42 1r3b s VAL 28 N -4.36 4.48 -0.77 1.96 0.11 -1.26 -4.99 120.40 115.57 1r3b s VAL 28 Ca 0.00 0.65 -0.25 0.00 -2.93 0.00 0.00 61.98 59.44 1r3b s VAL 28 Cb 0.00 -4.43 -0.02 0.00 -1.53 0.00 0.00 36.38 30.40 1r3b s VAL 28 CO 0.00 -0.86 1.78 -2.16 -3.33 0.00 0.00 175.10 170.54 1r3b s PRO 29 N 3.72 2.77 0.04 1.54 0.04 -1.26 -4.50 135.00 137.34 1r3b s PRO 29 Ca 0.35 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1r3b s PRO 29 Cb -0.11 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1r3b s PRO 29 CO 0.25 -2.84 0.00 -2.13 0.04 0.00 0.00 177.00 172.32 1r3b n ARG 30 N 9.06 -5.21 -3.39 4.56 0.63 -1.26 -5.08 116.66 115.97 1r3b n ARG 30 Ca 0.27 3.77 0.02 0.00 -0.92 0.00 0.00 57.85 60.99 1r3b n ARG 30 Cb 0.50 -4.66 -0.05 0.00 0.45 0.00 0.00 32.46 28.70 1r3b n ARG 30 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1r3b s GLY 31 N -0.59 0.15 0.00 5.14 0.00 -1.26 -5.04 107.32 105.72 1r3b s GLY 31 Ca 0.00 3.42 0.00 0.00 0.00 0.00 0.00 44.72 48.14 1r3b s GLY 31 CO 0.00 3.14 0.00 1.44 0.00 0.00 0.00 173.10 177.68 1r3b n SER 32 N 4.35 0.00 0.00 1.64 7.64 -1.26 -4.81 113.62 121.18 1r3b n SER 32 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1r3b n SER 32 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1r3b n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b n ALA 33 N 0.83 0.00 -2.69 -0.43 0.00 -1.26 -4.70 120.51 112.26 1r3b n ALA 33 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1r3b n ALA 33 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1r3b n ALA 33 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1r3b s THR 34 N 0.00 3.79 -0.28 0.00 -1.32 -1.26 -5.13 115.64 111.43 1r3b s THR 34 Ca 0.00 -1.57 -0.19 0.00 -1.21 0.00 0.00 61.69 58.71 1r3b s THR 34 Cb 0.00 -2.97 0.10 0.00 -1.51 0.00 0.00 72.50 68.12 1r3b s THR 34 CO 0.00 -0.24 0.81 -1.48 -2.21 0.00 0.00 174.62 171.50 1r3b s LEU 35 N -3.35 -0.73 0.00 9.08 2.34 -1.26 -5.16 118.68 119.59 1r3b s LEU 35 Ca 0.30 1.24 0.00 0.00 0.06 0.00 0.00 54.13 55.73 1r3b s LEU 35 Cb -0.08 2.18 0.00 0.00 -0.56 0.00 0.00 46.19 47.73 1r3b s LEU 35 CO 0.20 -0.20 0.00 0.61 -1.06 0.00 0.00 176.35 175.90 1r3b n GLY 36 N 3.50 4.71 3.61 -3.48 0.00 -1.26 -5.20 105.19 107.08 1r3b n GLY 36 Ca -0.17 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1r3b n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 37 N 1.28 0.29 0.00 1.61 0.15 -1.26 -5.08 113.70 110.69 1r3b s SER 37 Ca 0.00 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1r3b s SER 37 Cb 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1r3b s SER 37 CO 0.00 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.73 1r3b n GLY 38 N -0.48 -1.82 3.53 9.45 0.00 -1.26 -5.14 105.19 109.47 1r3b n GLY 38 Ca -0.02 0.62 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 4.29 0.01 1.61 -0.87 -1.26 -5.04 114.94 113.68 1r3b s ASN 39 Ca 0.00 -0.20 -0.24 0.00 -1.57 0.00 0.00 52.86 50.85 1r3b s ASN 39 Cb 0.00 -0.93 -0.18 0.00 -0.02 0.00 0.00 41.25 40.12 1r3b s ASN 39 CO 0.00 0.31 1.34 0.25 -2.57 0.00 0.00 177.10 176.42 1r3b h LEU 40 N 4.86 0.10 -1.46 0.60 7.12 -2.00 -3.06 115.31 121.46 1r3b h LEU 40 Ca -0.48 -0.43 0.06 0.00 0.13 0.00 0.00 57.88 57.16 1r3b h LEU 40 Cb 1.16 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.23 1r3b h LEU 40 CO 0.51 0.51 0.43 0.03 -0.13 0.00 0.00 178.44 179.79 1r3b h ARG 41 N -0.32 0.65 -0.26 1.25 3.08 -1.97 -1.31 114.38 115.49 1r3b h ARG 41 Ca 0.01 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1r3b h ARG 41 Cb 0.47 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1r3b h ARG 41 CO 0.01 0.43 0.12 0.37 -1.07 0.00 0.00 179.97 179.82 1r3b h GLN 42 N 0.66 0.25 0.00 0.04 5.75 -1.80 0.57 115.11 120.58 1r3b h GLN 42 Ca 0.28 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1r3b h GLN 42 Cb 0.25 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1r3b h GLN 42 CO -0.09 0.17 0.00 0.00 -2.65 0.00 0.00 178.83 176.26 1r3b h ALA 43 N 1.14 1.00 0.01 3.38 0.00 -1.30 -3.07 119.26 120.43 1r3b h ALA 43 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 1r3b h ALA 43 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1r3b h ALA 43 CO -0.08 0.00 -1.57 0.28 0.00 0.00 0.00 179.25 177.88 1r3b h VAL 44 N 0.00 1.02 -3.30 0.00 2.07 -0.27 -3.46 116.25 112.32 1r3b h VAL 44 Ca 0.00 -2.83 -0.67 0.00 0.82 0.00 0.00 66.70 64.01 1r3b h VAL 44 Cb 0.63 2.52 -0.31 0.00 -1.52 0.00 0.00 31.29 32.61 1r3b h VAL 44 CO 0.00 0.61 -0.84 -0.04 0.02 0.00 0.00 177.57 177.33 1r3b s MET 45 N -2.62 3.15 -0.79 1.57 1.00 0.19 -4.93 119.30 116.87 1r3b s MET 45 Ca -0.04 -0.81 -0.33 0.00 0.00 0.00 0.00 55.69 54.51 1r3b s MET 45 Cb 0.08 -2.46 -0.19 0.00 0.00 0.00 0.00 34.83 32.26 1r3b s MET 45 CO 0.82 0.11 2.52 -0.11 0.00 0.00 0.00 175.02 178.37 1r3b n LEU 46 N 3.74 0.79 -4.85 -0.03 7.94 -1.26 -4.64 117.00 118.69 1r3b n LEU 46 Ca -0.19 0.20 -0.31 0.00 -1.11 0.00 0.00 56.01 54.60 1r3b n LEU 46 Cb 0.52 -1.03 0.04 0.00 0.53 0.00 0.00 43.42 43.49 1r3b n LEU 46 CO 0.28 -0.84 0.72 -2.16 -1.11 0.00 0.00 177.39 174.29 1r3b s PRO 47 N 8.13 2.99 2.33 1.96 0.04 -1.26 -4.89 135.00 144.30 1r3b s PRO 47 Ca 1.26 0.72 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1r3b s PRO 47 Cb -1.13 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1r3b s PRO 47 CO 0.49 -1.00 0.00 0.39 0.04 0.00 0.00 177.00 176.92 1r3b n GLU 48 N -3.03 0.00 -0.87 4.56 1.02 -1.26 -4.71 120.64 116.35 1r3b n GLU 48 Ca 0.07 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.87 1r3b n GLU 48 Cb 0.55 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.06 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 0.00 -3.06 3.64 0.62 0.00 -1.26 -4.89 105.19 100.24 1r3b n GLY 49 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1r3b n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r3b s GLU 50 N -2.98 4.16 -0.31 1.61 -1.05 -1.26 -5.01 118.70 113.85 1r3b s GLU 50 Ca 0.50 0.65 0.01 0.00 -0.15 0.00 0.00 54.97 55.98 1r3b s GLU 50 Cb -0.19 -3.63 0.14 0.00 -0.44 0.00 0.00 34.13 30.01 1r3b s GLU 50 CO 0.73 -0.38 0.32 -0.51 0.95 0.00 0.00 175.26 176.37 1r3b s ASP 51 N 1.37 1.52 0.04 0.83 1.11 -1.26 -5.05 116.67 115.22 1r3b s ASP 51 Ca 0.29 -0.96 -0.21 0.00 0.18 0.00 0.00 52.55 51.84 1r3b s ASP 51 Cb -0.16 0.53 -0.12 0.00 1.07 0.00 0.00 42.92 44.25 1r3b s ASP 51 CO 0.09 -0.36 1.32 0.25 1.18 0.00 0.00 175.17 177.65 1r3b h LEU 52 N 7.95 -0.67 -1.62 1.23 7.12 -1.99 0.18 115.31 127.51 1r3b h LEU 52 Ca -0.08 0.03 0.34 0.00 0.13 0.00 0.00 57.88 58.29 1r3b h LEU 52 Cb 1.07 0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 41.30 1r3b h LEU 52 CO 0.30 -0.46 0.80 0.78 -0.13 0.00 0.00 178.44 179.74 1r3b h ASN 53 N -0.75 0.24 0.01 1.25 2.35 -2.00 0.91 115.58 117.59 1r3b h ASN 53 Ca -0.07 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1r3b h ASN 53 Cb 0.58 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1r3b h ASN 53 CO 0.11 0.00 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.81 1r3b h GLU 54 N 0.18 -0.02 -0.52 0.81 4.81 -1.93 -2.98 114.58 114.94 1r3b h GLU 54 Ca 0.65 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.98 1r3b h GLU 54 Cb 2.08 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.38 1r3b h GLU 54 CO -0.21 0.71 0.02 2.35 -0.73 0.00 0.00 179.01 181.15 1r3b h TRP 55 N -0.78 0.01 -0.05 0.92 -0.00 0.17 0.42 115.95 116.64 1r3b h TRP 55 Ca -0.00 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.95 1r3b h TRP 55 Cb 0.73 0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 29.94 1r3b h TRP 55 CO 0.18 -0.10 -0.11 0.82 -0.00 0.00 0.00 178.44 179.23 1r3b h ILE 56 N 0.14 0.71 -0.38 2.65 2.04 -1.20 0.05 117.51 121.52 1r3b h ILE 56 Ca 0.26 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.08 1r3b h ILE 56 Cb 0.40 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1r3b h ILE 56 CO -0.42 0.00 0.03 0.00 0.00 0.00 0.00 178.15 177.76 1r3b h ALA 57 N 0.85 1.35 0.09 1.87 0.00 -1.19 0.06 119.26 122.28 1r3b h ALA 57 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1r3b h ALA 57 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r3b h ALA 57 CO -0.14 0.45 -0.04 0.28 0.00 0.00 0.00 179.25 179.80 1r3b h VAL 58 N 0.56 1.07 0.00 0.00 2.07 0.48 -3.08 116.25 117.35 1r3b h VAL 58 Ca 0.12 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1r3b h VAL 58 Cb 0.31 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1r3b h VAL 58 CO 0.01 0.14 -0.46 0.78 0.02 0.00 0.00 177.57 178.05 1r3b h ASN 59 N -0.37 0.00 0.46 0.57 2.35 -0.91 -2.76 115.58 114.91 1r3b h ASN 59 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1r3b h ASN 59 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1r3b h ASN 59 CO 0.02 0.46 -0.22 0.74 -1.65 0.00 0.00 177.43 176.78 1r3b h THR 60 N 0.00 0.53 -0.29 2.81 2.02 -0.97 1.02 112.91 118.02 1r3b h THR 60 Ca -0.00 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1r3b h THR 60 Cb 1.12 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1r3b h THR 60 CO 0.06 0.04 -0.19 0.58 0.37 0.00 0.00 175.52 176.38 1r3b h VAL 61 N -0.76 1.25 0.07 3.16 2.07 -1.63 -0.78 116.25 119.63 1r3b h VAL 61 Ca -0.06 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1r3b h VAL 61 Cb 0.54 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1r3b h VAL 61 CO 0.10 0.38 -0.03 0.44 0.02 0.00 0.00 177.57 178.48 1r3b h ASP 62 N 0.48 -0.08 0.43 0.57 5.19 -1.33 -1.43 116.42 120.25 1r3b h ASP 62 Ca 0.08 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 1r3b h ASP 62 Cb 0.60 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1r3b h ASP 62 CO 0.04 0.25 -0.22 -0.26 -3.12 0.00 0.00 179.24 175.93 1r3b h PHE 63 N -0.42 -0.57 -0.51 4.55 -1.00 0.12 -0.06 116.94 119.05 1r3b h PHE 63 Ca -0.01 -0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.89 1r3b h PHE 63 Cb 0.36 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.09 1r3b h PHE 63 CO 0.03 -0.35 0.36 0.35 -1.61 0.00 0.00 178.31 177.09 1r3b h PHE 64 N -0.60 0.10 0.00 -0.55 3.57 -1.19 0.75 116.94 119.02 1r3b h PHE 64 Ca -0.06 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.27 1r3b h PHE 64 Cb 0.47 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1r3b h PHE 64 CO -0.06 0.04 -0.82 -0.97 -2.23 0.00 0.00 178.31 174.27 1r3b h ASN 65 N 0.09 0.00 0.89 0.41 -0.73 -0.61 -3.01 115.58 112.61 1r3b h ASN 65 Ca 0.24 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.28 1r3b h ASN 65 Cb 0.84 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.41 1r3b h ASN 65 CO -0.02 0.82 -0.62 1.56 -0.37 0.00 0.00 177.43 178.81 1r3b h GLN 66 N 0.00 0.00 0.12 6.67 1.08 0.10 -2.07 115.11 121.01 1r3b h GLN 66 Ca -0.01 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 1r3b h GLN 66 Cb 1.53 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.99 1r3b h GLN 66 CO 0.11 0.62 -1.11 0.82 -0.95 0.00 0.00 178.83 178.31 1r3b h ILE 67 N 0.00 1.34 0.00 2.54 2.04 -1.38 -2.98 117.51 119.07 1r3b h ILE 67 Ca -0.01 -2.43 -0.11 0.00 1.00 0.00 0.00 64.86 63.31 1r3b h ILE 67 Cb 1.22 2.78 -0.02 0.00 -0.74 0.00 0.00 36.82 40.07 1r3b h ILE 67 CO 0.08 0.73 -0.51 -1.13 0.00 0.00 0.00 178.15 177.32 1r3b h ASN 68 N 0.12 0.00 -0.29 1.72 -0.73 -1.57 -2.50 115.58 112.32 1r3b h ASN 68 Ca -0.17 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 57.83 1r3b h ASN 68 Cb 1.81 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.40 1r3b h ASN 68 CO 0.21 0.51 -0.46 0.24 -0.37 0.00 0.00 177.43 177.56 1r3b h MET 69 N 0.00 0.83 -0.01 6.67 2.86 -1.43 -1.43 114.93 122.43 1r3b h MET 69 Ca -0.01 -0.50 -0.20 0.00 -2.06 0.00 0.00 59.70 56.93 1r3b h MET 69 Cb 1.04 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1r3b h MET 69 CO 0.07 1.14 -0.88 1.37 1.06 0.00 0.00 176.91 179.66 1r3b h LEU 70 N 0.60 0.37 -0.68 1.22 8.10 -1.50 -3.17 115.31 120.25 1r3b h LEU 70 Ca 0.03 -0.29 -0.13 0.00 0.11 0.00 0.00 57.88 57.60 1r3b h LEU 70 Cb 1.06 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 41.15 1r3b h LEU 70 CO 0.11 1.08 -0.62 0.22 -4.11 0.00 0.00 178.44 175.12 1r3b h TYR 71 N 0.16 0.00 -0.41 0.17 3.20 -1.46 -3.12 116.97 115.51 1r3b h TYR 71 Ca -0.05 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 1r3b h TYR 71 Cb 1.50 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 1r3b h TYR 71 CO 0.04 0.62 0.08 0.78 -1.64 0.00 0.00 178.16 178.04 1r3b h GLY 72 N 2.09 0.66 2.00 1.82 0.00 -1.23 0.87 103.07 109.28 1r3b h GLY 72 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1r3b h GLY 72 CO 0.08 0.34 0.00 -0.91 0.00 0.00 0.00 176.54 176.05 1r3b h THR 73 N 0.60 0.00 -0.00 4.70 1.35 -1.57 -3.07 112.91 114.92 1r3b h THR 73 Ca 0.14 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1r3b h THR 73 Cb 0.25 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1r3b h THR 73 CO -0.00 0.00 -0.33 0.00 -0.25 0.00 0.00 175.52 174.94 1r3b n ILE 74 N -3.05 0.00 0.09 6.82 0.00 -0.73 -4.58 119.36 117.92 1r3b n ILE 74 Ca 0.01 -0.34 0.18 0.00 0.00 0.00 0.00 62.75 62.60 1r3b n ILE 74 Cb 0.32 1.02 0.72 0.00 0.00 0.00 0.00 39.64 41.71 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 0.19 0.67 -0.02 9.51 1.03 0.85 0.54 112.91 125.68 1r3b h THR 75 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.26 1r3b h THR 75 Cb 0.20 0.79 -0.02 0.00 -1.07 0.00 0.00 68.15 68.05 1r3b h THR 75 CO 0.00 0.00 -0.65 1.05 -0.01 0.00 0.00 175.52 175.91 1r3b h GLU 76 N 0.00 0.08 -0.40 0.00 4.11 -1.81 -3.21 114.58 113.36 1r3b h GLU 76 Ca 0.17 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 1r3b h GLU 76 Cb 0.76 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1r3b h GLU 76 CO -0.00 0.70 0.21 0.74 0.07 0.00 0.00 179.01 180.73 1r3b h PHE 77 N 0.06 0.55 -1.59 2.06 -1.00 -1.19 -3.41 116.94 112.41 1r3b h PHE 77 Ca -0.01 -0.02 -0.63 0.00 2.81 0.00 0.00 57.97 60.12 1r3b h PHE 77 Cb 1.15 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.53 1r3b h PHE 77 CO 0.01 0.43 1.38 0.00 -1.61 0.00 0.00 178.31 178.51 1r3b n THR 79 N 6.96 0.00 -1.05 0.00 -2.24 -1.26 -5.05 114.28 111.64 1r3b n THR 79 Ca 0.33 -1.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1r3b n THR 79 Cb 0.32 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 1r3b n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r3b n GLU 80 N -0.30 -2.39 0.30 -0.78 -0.58 -1.26 -4.21 120.64 111.42 1r3b n GLU 80 Ca 0.02 1.90 0.19 0.00 -0.42 0.00 0.00 57.16 58.85 1r3b n GLU 80 Cb 0.29 -2.81 1.01 0.00 -0.57 0.00 0.00 31.44 29.36 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 -1.03 0.00 -0.97 1.62 0.02 -2.00 -3.42 113.55 107.76 1r3b h SER 81 Ca -0.12 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.28 1r3b h SER 81 Cb 1.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1r3b h SER 81 CO 0.05 0.00 1.59 1.07 -1.14 0.00 0.00 176.83 178.40 1r3b n THR 82 N -3.36 0.04 -2.78 -2.27 5.66 -1.26 -2.54 114.28 107.78 1r3b n THR 82 Ca -0.02 -0.38 -0.03 0.00 -3.05 0.00 0.00 64.05 60.57 1r3b n THR 82 Cb 0.19 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.23 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r3b n SER 84 N -1.05 0.00 -4.09 0.00 7.64 -1.05 -4.16 113.62 110.91 1r3b n SER 84 Ca 0.05 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 1r3b n SER 84 Cb 0.45 0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.87 1r3b n SER 84 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1r3b s VAL 85 N -1.83 3.30 -0.39 0.44 1.01 -1.25 -4.75 120.40 116.93 1r3b s VAL 85 Ca 0.00 -2.52 0.01 0.00 0.00 0.00 0.00 61.98 59.47 1r3b s VAL 85 Cb 0.00 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.27 1r3b s VAL 85 CO 0.00 -0.76 0.19 -0.32 0.00 0.00 0.00 175.10 174.21 1r3b s MET 86 N 0.55 1.05 -0.36 2.72 1.75 -1.26 -5.07 119.30 118.68 1r3b s MET 86 Ca 0.12 -1.67 -0.12 0.00 -1.25 0.00 0.00 55.69 52.78 1r3b s MET 86 Cb -0.22 -2.16 0.01 0.00 2.84 0.00 0.00 34.83 35.30 1r3b s MET 86 CO -0.04 -1.11 0.22 0.45 -0.65 0.00 0.00 175.02 173.89 1r3b s SER 87 N 0.80 5.80 0.91 1.11 0.15 -1.26 -4.61 113.70 116.60 1r3b s SER 87 Ca 0.15 -0.80 -0.13 0.00 0.70 0.00 0.00 55.95 55.87 1r3b s SER 87 Cb -0.22 -2.06 0.14 0.00 -1.71 0.00 0.00 66.02 62.17 1r3b s SER 87 CO -0.07 -0.34 1.17 0.00 1.20 0.00 0.00 173.24 175.20 1r3b s ALA 88 N 1.61 2.01 0.00 5.45 0.00 -1.26 -4.71 121.76 124.86 1r3b s ALA 88 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1r3b s ALA 88 Cb -0.18 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1r3b s ALA 88 CO 0.08 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 174.03 1r3b n GLY 89 N -2.65 0.53 0.20 0.00 0.00 -1.26 -2.08 105.19 99.93 1r3b n GLY 89 Ca 0.08 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -0.58 1.61 0.13 -2.07 -3.41 132.00 127.68 1r3b h PRO 90 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1r3b h PRO 90 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1r3b h PRO 90 CO 0.00 0.33 -0.23 -0.98 -0.23 0.00 0.00 178.00 176.89 1r3b s ARG 91 N -3.76 0.42 0.06 0.86 1.70 -1.21 -5.17 118.95 111.84 1r3b s ARG 91 Ca -0.01 0.04 0.01 0.00 -0.47 0.00 0.00 55.73 55.30 1r3b s ARG 91 Cb 0.12 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1r3b s ARG 91 CO 0.67 -0.66 0.05 0.66 -1.08 0.00 0.00 175.30 174.95 1r3b n TYR 92 N 4.53 -1.72 -3.68 5.89 4.02 -0.88 -4.97 117.16 120.34 1r3b n TYR 92 Ca 0.08 -0.24 -0.09 0.00 -0.01 0.00 0.00 57.90 57.64 1r3b n TYR 92 Cb 0.59 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.84 1r3b n TYR 92 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1r3b s GLU 93 N -2.25 1.55 -0.23 -0.72 0.41 -1.26 -4.81 118.70 111.40 1r3b s GLU 93 Ca 0.04 -0.77 -0.09 0.00 -0.41 0.00 0.00 54.97 53.74 1r3b s GLU 93 Cb -0.00 0.59 -0.04 0.00 -1.78 0.00 0.00 34.13 32.90 1r3b s GLU 93 CO 0.02 -0.70 0.11 0.71 -0.49 0.00 0.00 175.26 174.92 1r3b s TYR 94 N -3.85 3.24 -0.23 1.61 2.02 -1.26 -4.13 117.35 114.75 1r3b s TYR 94 Ca 0.07 0.04 -0.27 0.00 -0.37 0.00 0.00 57.07 56.55 1r3b s TYR 94 Cb -0.04 -2.21 0.11 0.00 -0.40 0.00 0.00 41.96 39.42 1r3b s TYR 94 CO -0.02 -0.01 0.95 -1.58 -1.57 0.00 0.00 175.55 173.32 1r3b s HIS 95 N 1.01 -0.52 0.08 2.71 2.46 -1.26 -5.04 115.29 114.74 1r3b s HIS 95 Ca 0.06 1.16 -0.34 0.00 0.47 0.00 0.00 55.06 56.41 1r3b s HIS 95 Cb -0.14 0.37 -0.17 0.00 -0.13 0.00 0.00 32.58 32.52 1r3b s HIS 95 CO 0.04 -0.31 1.60 2.35 -2.47 0.00 0.00 174.74 175.95 1r3b h TRP 96 N 3.87 -1.07 -3.76 3.88 2.91 -1.93 -3.38 115.95 116.48 1r3b h TRP 96 Ca -0.26 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.75 1r3b h TRP 96 Cb 1.17 0.39 0.00 0.00 -0.51 0.00 0.00 29.16 30.21 1r3b h TRP 96 CO 0.33 -0.59 -0.84 0.00 -1.03 0.00 0.00 178.44 176.32 1r3b n ALA 97 N -2.65 -2.16 -0.11 2.65 0.00 -1.26 -4.70 120.51 112.28 1r3b n ALA 97 Ca -0.12 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 1r3b n ALA 97 Cb 0.41 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1r3b n ALA 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r3b n ASP 98 N 1.05 1.16 0.00 0.00 -0.08 -1.25 -4.76 116.55 112.66 1r3b n ASP 98 Ca 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1r3b n ASP 98 Cb 0.00 0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1r3b n ASP 98 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r3b n GLY 99 N 2.01 0.71 2.18 0.27 0.00 -1.05 -4.87 105.19 104.44 1r3b n GLY 99 Ca -0.39 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1r3b n GLY 99 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3b n THR 100 N 0.00 3.14 -0.00 2.61 -2.24 -1.26 -3.69 114.28 112.84 1r3b n THR 100 Ca 0.00 -1.93 -0.00 0.00 -2.27 0.00 0.00 64.05 59.85 1r3b n THR 100 Cb 0.00 -0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1r3b n THR 100 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1r3b n ASN 101 N -1.03 3.20 0.07 3.42 5.15 -1.26 -4.99 115.26 119.82 1r3b n ASN 101 Ca 0.57 -0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1r3b n ASN 101 Cb 1.50 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.75 1r3b n ASN 101 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1r3b n ILE 102 N -2.60 0.49 -3.88 -1.44 -0.00 -1.26 -5.05 119.36 105.61 1r3b n ILE 102 Ca -0.00 0.16 -0.00 0.00 -0.00 0.00 0.00 62.75 62.91 1r3b n ILE 102 Cb 0.50 -1.08 0.01 0.00 -0.00 0.00 0.00 39.64 39.07 1r3b n ILE 102 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 1r3b s LYS 103 N -2.00 0.78 0.80 0.38 -2.85 -1.24 -5.01 119.74 110.59 1r3b s LYS 103 Ca 0.00 -0.49 -0.12 0.00 -1.00 0.00 0.00 55.97 54.36 1r3b s LYS 103 Cb 0.00 0.22 0.07 0.00 -2.06 0.00 0.00 37.83 36.06 1r3b s LYS 103 CO 0.00 -0.36 1.12 0.15 0.10 0.00 0.00 175.35 176.36 1r3b s LYS 104 N -2.20 2.08 0.15 1.78 3.01 -1.26 -2.53 119.74 120.76 1r3b s LYS 104 Ca 0.23 0.43 -0.31 0.00 -1.01 0.00 0.00 55.97 55.31 1r3b s LYS 104 Cb -0.01 -1.94 -0.10 0.00 -1.01 0.00 0.00 37.83 34.78 1r3b s LYS 104 CO 0.01 -1.58 1.59 -1.25 0.51 0.00 0.00 175.35 174.63 1r3b s PRO 105 N -5.31 4.21 0.27 -1.68 0.04 -1.26 -4.77 135.00 126.50 1r3b s PRO 105 Ca 0.61 2.36 0.12 0.00 0.04 0.00 0.00 61.00 64.13 1r3b s PRO 105 Cb -0.13 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1r3b s PRO 105 CO 0.52 -0.64 -0.20 0.42 0.04 0.00 0.00 177.00 177.15 1r3b s ILE 106 N 1.47 2.51 -0.08 0.56 1.09 -1.26 -5.10 121.20 120.39 1r3b s ILE 106 Ca 0.71 -2.37 -0.30 0.00 -1.10 0.00 0.00 60.65 57.59 1r3b s ILE 106 Cb -0.43 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 1r3b s ILE 106 CO 0.31 -0.38 1.40 -0.54 -0.10 0.00 0.00 174.94 175.63 1r3b s LYS 107 N -3.47 4.24 -0.04 2.79 -0.14 -1.26 -4.68 119.74 117.19 1r3b s LYS 107 Ca 0.30 1.89 0.06 0.00 -1.36 0.00 0.00 55.97 56.86 1r3b s LYS 107 Cb -0.05 -3.75 -0.01 0.00 -1.68 0.00 0.00 37.83 32.33 1r3b s LYS 107 CO 0.15 -0.69 -0.22 0.00 -0.76 0.00 0.00 175.35 173.83 1r3b n SER 109 N 2.86 -1.36 0.01 0.00 7.64 -1.26 -4.47 113.62 117.04 1r3b n SER 109 Ca -0.17 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.70 1r3b n SER 109 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.97 -0.15 -0.10 -0.43 0.00 -1.90 -1.59 119.26 113.13 1r3b h ALA 110 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1r3b h ALA 110 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r3b h ALA 110 CO 0.00 -0.14 0.21 -1.00 0.00 0.00 0.00 179.25 178.32 1r3b h PRO 111 N -0.59 0.00 0.00 0.00 0.13 -1.93 -1.13 132.00 128.47 1r3b h PRO 111 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1r3b h PRO 111 Cb 0.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 1r3b h PRO 111 CO 0.02 0.00 -0.18 0.87 -0.23 0.00 0.00 178.00 178.47 1r3b h LYS 112 N 0.00 0.00 -0.96 0.86 6.56 -1.90 -3.13 116.57 118.00 1r3b h LYS 112 Ca 0.05 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.75 1r3b h LYS 112 Cb 0.47 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.06 1r3b h LYS 112 CO -0.00 0.39 0.61 1.88 -2.06 0.00 0.00 179.45 180.27 1r3b h TYR 113 N -1.00 1.05 0.40 -1.35 0.05 -0.88 0.31 116.97 115.55 1r3b h TYR 113 Ca -0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1r3b h TYR 113 Cb 0.48 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1r3b h TYR 113 CO 0.06 0.44 -0.27 0.82 -1.05 0.00 0.00 178.16 178.16 1r3b h ILE 114 N 0.93 0.44 -0.93 -2.88 2.04 -1.36 0.77 117.51 116.53 1r3b h ILE 114 Ca 0.46 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.35 1r3b h ILE 114 Cb 0.48 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1r3b h ILE 114 CO -0.23 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 177.75 1r3b h ASP 115 N -0.65 1.04 -0.32 1.72 1.82 -1.33 0.24 116.42 118.94 1r3b h ASP 115 Ca -0.04 -0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.51 1r3b h ASP 115 Cb 0.54 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1r3b h ASP 115 CO 0.03 0.73 -0.10 1.88 -1.61 0.00 0.00 179.24 180.17 1r3b h TYR 116 N 1.21 0.71 -0.36 0.28 0.05 -0.62 0.82 116.97 119.07 1r3b h TYR 116 Ca 0.36 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.95 1r3b h TYR 116 Cb -0.07 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 1r3b h TYR 116 CO -0.01 0.82 0.13 1.25 -1.05 0.00 0.00 178.16 179.30 1r3b h LEU 117 N 0.40 0.51 -0.38 3.88 5.85 0.10 0.24 115.31 125.92 1r3b h LEU 117 Ca 0.08 -0.19 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 1r3b h LEU 117 Cb 0.60 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1r3b h LEU 117 CO 0.04 0.57 -0.57 0.24 -0.34 0.00 0.00 178.44 178.37 1r3b h MET 118 N 0.43 0.73 0.71 1.25 2.86 -0.48 -1.94 114.93 118.49 1r3b h MET 118 Ca 0.12 -0.48 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 1r3b h MET 118 Cb 0.23 0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.95 1r3b h MET 118 CO -0.01 1.10 -0.35 1.15 1.06 0.00 0.00 176.91 179.86 1r3b h THR 119 N 0.56 0.29 -0.65 2.22 2.02 0.86 0.76 112.91 118.97 1r3b h THR 119 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1r3b h THR 119 Cb 1.16 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1r3b h THR 119 CO 0.12 0.00 0.38 -0.25 0.37 0.00 0.00 175.52 176.14 1r3b h TRP 120 N -0.96 0.71 0.25 3.16 7.01 -1.00 0.19 115.95 125.30 1r3b h TRP 120 Ca -0.10 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1r3b h TRP 120 Cb 0.74 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1r3b h TRP 120 CO -0.03 0.38 -0.12 0.28 -2.79 0.00 0.00 178.44 176.15 1r3b h VAL 121 N 0.73 0.80 -0.70 2.65 2.07 -1.21 -2.78 116.25 117.80 1r3b h VAL 121 Ca 0.27 -0.64 0.14 0.00 0.82 0.00 0.00 66.70 67.29 1r3b h VAL 121 Cb 0.09 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1r3b h VAL 121 CO -0.14 0.13 0.47 -0.61 0.02 0.00 0.00 177.57 177.45 1r3b h GLN 122 N -0.68 0.38 -0.14 1.57 4.15 0.75 0.16 115.11 121.29 1r3b h GLN 122 Ca -0.03 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 1r3b h GLN 122 Cb 0.47 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1r3b h GLN 122 CO 0.06 0.25 -0.25 0.22 -1.93 0.00 0.00 178.83 177.17 1r3b h ASP 123 N 0.39 0.25 0.02 -0.69 3.58 -0.49 -2.56 116.42 116.92 1r3b h ASP 123 Ca 0.34 -0.07 -0.24 0.00 0.42 0.00 0.00 57.03 57.48 1r3b h ASP 123 Cb 0.79 -0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.79 1r3b h ASP 123 CO -0.10 0.51 -0.94 1.56 -2.88 0.00 0.00 179.24 177.39 1r3b h GLN 124 N 0.23 0.59 0.00 0.28 1.08 -0.45 0.38 115.11 117.21 1r3b h GLN 124 Ca 0.04 -0.67 -0.00 0.00 -1.45 0.00 0.00 58.65 56.57 1r3b h GLN 124 Cb 0.58 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1r3b h GLN 124 CO 0.04 1.27 -0.00 -0.07 -0.95 0.00 0.00 178.83 179.12 1r3b h LEU 125 N 0.20 0.00 -1.86 1.46 3.38 -1.06 -0.06 115.31 117.38 1r3b h LEU 125 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1r3b h LEU 125 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1r3b h LEU 125 CO 0.18 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.04 1r3b n ASP 126 N -3.16 2.14 -3.62 -0.43 2.03 -0.98 -4.83 116.55 107.69 1r3b n ASP 126 Ca -0.03 -1.60 -0.29 0.00 0.52 0.00 0.00 54.79 53.39 1r3b n ASP 126 Cb 0.08 -0.06 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 1r3b n ASP 126 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r3b s ASP 127 N -0.88 3.43 0.00 1.67 2.15 0.11 -5.05 116.67 118.10 1r3b s ASP 127 Ca 0.14 -2.40 0.00 0.00 0.43 0.00 0.00 52.55 50.73 1r3b s ASP 127 Cb 0.09 -0.79 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 1r3b s ASP 127 CO 0.13 -0.29 0.00 1.21 -0.17 0.00 0.00 175.17 176.05 1r3b n GLU 128 N 3.82 0.00 -1.35 4.34 2.13 -1.26 -4.57 120.64 123.75 1r3b n GLU 128 Ca 0.09 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.81 1r3b n GLU 128 Cb 0.36 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.03 1r3b n GLU 128 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1r3b n THR 129 N 0.00 -0.02 0.00 6.31 -2.24 -1.26 -4.28 114.28 112.79 1r3b n THR 129 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1r3b n THR 129 Cb 0.00 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1r3b n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n LEU 130 N -1.72 0.00 -3.48 3.22 -0.00 -1.26 -4.31 117.00 109.45 1r3b n LEU 130 Ca -0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.77 1r3b n LEU 130 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.73 1r3b n LEU 130 CO 0.15 0.00 0.37 -0.36 -0.00 0.00 0.00 177.39 177.56 1r3b s PHE 131 N 0.00 -0.52 -0.16 1.47 0.08 -1.26 -4.87 117.98 112.72 1r3b s PHE 131 Ca 0.00 0.48 -0.29 0.00 0.12 0.00 0.00 56.93 57.24 1r3b s PHE 131 Cb 0.00 0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 42.88 1r3b s PHE 131 CO 0.00 -0.76 1.83 -1.25 -0.10 0.00 0.00 175.22 174.94 1r3b s PRO 132 N -3.05 3.74 -0.43 0.24 0.04 -1.26 -4.89 135.00 129.39 1r3b s PRO 132 Ca -0.02 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1r3b s PRO 132 Cb -0.01 -4.14 0.20 0.00 0.04 0.00 0.00 34.50 30.60 1r3b s PRO 132 CO -0.07 -1.39 0.90 0.45 0.04 0.00 0.00 177.00 176.94 1r3b s SER 133 N 5.17 -0.90 0.57 6.66 0.15 -1.26 -5.01 113.70 119.07 1r3b s SER 133 Ca 0.82 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1r3b s SER 133 Cb -0.31 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1r3b s SER 133 CO 0.33 -0.04 0.00 0.29 1.20 0.00 0.00 173.24 175.03 1r3b n LYS 134 N 2.85 -3.89 -1.62 5.44 4.01 -1.26 -4.65 118.16 119.04 1r3b n LYS 134 Ca 0.15 3.03 -0.44 0.00 -0.51 0.00 0.00 58.31 60.53 1r3b n LYS 134 Cb 0.60 -3.81 -0.04 0.00 -0.51 0.00 0.00 35.03 31.28 1r3b n LYS 134 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1r3b n ILE 135 N -2.66 0.51 0.09 -0.18 -5.35 -1.26 -4.49 119.36 106.03 1r3b n ILE 135 Ca -0.01 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1r3b n ILE 135 Cb 0.47 -2.33 0.00 0.00 -1.74 0.00 0.00 39.64 36.04 1r3b n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r3b n GLY 136 N 5.25 -1.82 3.79 3.28 0.00 -1.26 -5.13 105.19 109.29 1r3b n GLY 136 Ca 0.26 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 46.40 1r3b n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r3b s VAL 137 N -1.50 5.25 -0.09 1.61 1.01 -1.26 -5.08 120.40 120.34 1r3b s VAL 137 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1r3b s VAL 137 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1r3b s VAL 137 CO 0.00 0.56 0.97 -2.16 0.00 0.00 0.00 175.10 174.47 1r3b s PRO 138 N -0.52 4.44 0.03 2.72 0.04 -1.26 -4.96 135.00 135.48 1r3b s PRO 138 Ca 0.12 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 1r3b s PRO 138 Cb -0.12 -3.52 -0.17 0.00 0.04 0.00 0.00 34.50 30.73 1r3b s PRO 138 CO 0.02 -0.24 1.35 0.74 0.04 0.00 0.00 177.00 178.90 1r3b h PHE 139 N 7.04 -0.41 -0.22 0.56 -1.00 -1.97 0.32 116.94 121.26 1r3b h PHE 139 Ca -0.33 -0.01 -0.39 0.00 2.81 0.00 0.00 57.97 60.05 1r3b h PHE 139 Cb 1.16 0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.79 1r3b h PHE 139 CO 0.70 -0.11 0.93 -0.35 -1.61 0.00 0.00 178.31 177.88 1r3b n PRO 140 N -5.18 2.64 0.00 1.51 -0.04 -1.26 -2.26 135.00 130.42 1r3b n PRO 140 Ca -0.10 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1r3b n PRO 140 Cb 0.26 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1r3b n PRO 140 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r3b n LYS 141 N 2.48 0.00 -0.10 0.54 4.76 -1.22 -4.99 118.16 119.63 1r3b n LYS 141 Ca 0.54 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.82 1r3b n LYS 141 Cb 0.66 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.80 1r3b n LYS 141 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1r3b n ASN 142 N -0.86 1.89 0.06 4.39 4.13 0.11 -3.89 115.26 121.10 1r3b n ASN 142 Ca 0.00 0.32 -0.11 0.00 1.68 0.00 0.00 54.58 56.47 1r3b n ASN 142 Cb 0.00 -0.74 -0.04 0.00 -1.54 0.00 0.00 39.78 37.45 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1r3b h PHE 143 N -0.96 -0.60 0.18 3.10 3.57 -1.22 0.71 116.94 121.73 1r3b h PHE 143 Ca -0.23 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1r3b h PHE 143 Cb 1.18 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1r3b h PHE 143 CO -0.30 -0.31 -0.12 0.52 -2.23 0.00 0.00 178.31 175.86 1r3b h MET 144 N -0.36 -0.30 0.08 1.11 2.86 -1.72 0.96 114.93 117.57 1r3b h MET 144 Ca 0.06 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1r3b h MET 144 Cb 0.44 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1r3b h MET 144 CO -0.21 -0.20 -0.05 1.03 1.06 0.00 0.00 176.91 178.54 1r3b h SER 145 N -0.31 -0.13 -0.08 1.22 0.87 -1.62 0.24 113.55 113.74 1r3b h SER 145 Ca -0.01 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1r3b h SER 145 Cb 0.26 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1r3b h SER 145 CO 0.01 -0.09 -0.20 0.58 -0.53 0.00 0.00 176.83 176.60 1r3b h VAL 146 N -0.13 1.25 -0.15 2.23 2.07 0.53 -2.39 116.25 119.66 1r3b h VAL 146 Ca -0.00 -1.17 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 1r3b h VAL 146 Cb 0.11 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1r3b h VAL 146 CO 0.00 0.37 -0.56 0.00 0.02 0.00 0.00 177.57 177.41 1r3b h ALA 147 N 1.36 0.77 -0.30 1.67 0.00 0.13 -3.12 119.26 119.76 1r3b h ALA 147 Ca 0.07 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1r3b h ALA 147 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1r3b h ALA 147 CO 0.04 0.69 -0.16 -0.22 0.00 0.00 0.00 179.25 179.60 1r3b h LYS 148 N 0.34 0.64 -0.99 0.00 3.64 -0.28 -0.98 116.57 118.95 1r3b h LYS 148 Ca 0.00 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1r3b h LYS 148 Cb 1.08 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 1r3b h LYS 148 CO 0.10 0.87 0.64 0.00 -2.27 0.00 0.00 179.45 178.79 1r3b h THR 149 N 0.39 1.15 0.01 1.00 1.03 -1.45 -1.85 112.91 113.18 1r3b h THR 149 Ca 0.06 -0.42 -0.20 0.00 -0.01 0.00 0.00 66.41 65.85 1r3b h THR 149 Cb 0.69 -0.18 0.02 0.00 -1.07 0.00 0.00 68.15 67.61 1r3b h THR 149 CO 0.05 0.22 -0.77 0.16 -0.01 0.00 0.00 175.52 175.17 1r3b h ILE 150 N 1.22 1.38 -0.69 0.00 3.07 -1.50 -2.61 117.51 118.38 1r3b h ILE 150 Ca 0.40 -2.17 0.12 0.00 1.55 0.00 0.00 64.86 64.76 1r3b h ILE 150 Cb 0.05 2.57 -0.08 0.00 -0.27 0.00 0.00 36.82 39.09 1r3b h ILE 150 CO -0.14 0.64 0.27 -0.07 -1.05 0.00 0.00 178.15 177.81 1r3b h LEU 151 N 0.04 0.26 -0.59 0.16 4.07 -0.88 0.39 115.31 118.76 1r3b h LEU 151 Ca -0.10 0.09 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1r3b h LEU 151 Cb 1.47 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.26 1r3b h LEU 151 CO 0.15 0.12 -0.69 0.07 -1.08 0.00 0.00 178.44 177.01 1r3b h LYS 152 N 0.44 0.00 -0.03 1.13 2.10 -1.42 -3.00 116.57 115.79 1r3b h LYS 152 Ca 0.37 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.98 1r3b h LYS 152 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1r3b h LYS 152 CO -0.36 0.69 -0.12 -0.09 -2.00 0.00 0.00 179.45 177.58 1r3b h ARG 153 N 0.00 0.14 -0.02 0.07 9.65 -0.65 -3.05 114.38 120.52 1r3b h ARG 153 Ca -0.01 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1r3b h ARG 153 Cb 1.24 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1r3b h ARG 153 CO 0.09 0.74 -0.03 1.37 2.80 0.00 0.00 179.97 184.94 1r3b h LEU 154 N -0.43 -0.10 -0.72 3.80 8.10 -0.38 -2.42 115.31 123.16 1r3b h LEU 154 Ca -0.01 0.02 0.15 0.00 0.11 0.00 0.00 57.88 58.16 1r3b h LEU 154 Cb 0.75 0.05 -0.11 0.00 -0.44 0.00 0.00 40.66 40.91 1r3b h LEU 154 CO 0.02 -0.05 0.18 0.15 -4.11 0.00 0.00 178.44 174.64 1r3b h PHE 155 N -0.05 0.28 -0.90 0.17 3.04 -1.63 0.32 116.94 118.17 1r3b h PHE 155 Ca 0.02 0.04 0.13 0.00 3.98 0.00 0.00 57.97 62.15 1r3b h PHE 155 Cb 0.08 -0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.51 1r3b h PHE 155 CO -0.12 -0.07 0.58 -0.09 -2.02 0.00 0.00 178.31 176.59 1r3b h ARG 156 N 0.28 0.74 -0.74 1.11 1.12 -1.32 0.14 114.38 115.71 1r3b h ARG 156 Ca 0.41 -0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.29 1r3b h ARG 156 Cb 0.68 -0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 30.43 1r3b h ARG 156 CO -0.49 0.49 0.49 0.28 -3.11 0.00 0.00 179.97 177.62 1r3b h VAL 157 N 0.76 1.04 0.30 0.20 2.07 -0.07 -2.22 116.25 118.32 1r3b h VAL 157 Ca 0.45 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1r3b h VAL 157 Cb 0.63 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1r3b h VAL 157 CO -0.21 0.15 -0.28 0.22 0.02 0.00 0.00 177.57 177.47 1r3b h TYR 158 N 0.80 -0.74 -0.56 1.57 3.20 -0.51 0.19 116.97 120.92 1r3b h TYR 158 Ca 0.32 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.25 1r3b h TYR 158 Cb 0.23 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1r3b h TYR 158 CO -0.00 -0.41 0.37 0.00 -1.64 0.00 0.00 178.16 176.49 1r3b h ALA 159 N -0.01 1.85 0.28 1.82 0.00 -1.38 0.90 119.26 122.72 1r3b h ALA 159 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1r3b h ALA 159 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r3b h ALA 159 CO -0.04 0.05 -0.13 1.25 0.00 0.00 0.00 179.25 180.38 1r3b h HIS 160 N 0.52 -0.35 -0.20 0.00 -0.00 -0.81 -1.59 115.15 112.71 1r3b h HIS 160 Ca 0.24 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1r3b h HIS 160 Cb 0.29 0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 1r3b h HIS 160 CO -0.00 -0.01 0.04 -0.84 -0.00 0.00 0.00 177.93 177.12 1r3b h ILE 161 N -0.94 1.22 0.39 6.26 -0.00 -0.40 0.23 117.51 124.28 1r3b h ILE 161 Ca -0.04 -0.73 -0.01 0.00 -0.00 0.00 0.00 64.86 64.09 1r3b h ILE 161 Cb 0.50 1.31 -0.01 0.00 -0.00 0.00 0.00 36.82 38.61 1r3b h ILE 161 CO 0.06 0.22 -0.30 0.22 -0.00 0.00 0.00 178.15 178.35 1r3b h TYR 162 N 0.14 -0.81 -0.14 0.16 3.20 0.71 -1.42 116.97 118.80 1r3b h TYR 162 Ca 0.06 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1r3b h TYR 162 Cb 0.31 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1r3b h TYR 162 CO 0.02 -0.45 -0.02 0.45 -1.64 0.00 0.00 178.16 176.52 1r3b h HIS 163 N -0.70 0.30 0.25 -3.82 3.86 -1.31 -2.95 115.15 110.79 1r3b h HIS 163 Ca -0.03 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1r3b h HIS 163 Cb 0.60 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 1r3b h HIS 163 CO -0.14 0.52 -0.39 0.37 0.86 0.00 0.00 177.93 179.15 1r3b h GLN 164 N -0.02 -0.65 -2.57 2.45 -0.00 -0.50 -3.17 115.11 110.64 1r3b h GLN 164 Ca 0.04 0.04 -0.80 0.00 -0.00 0.00 0.00 58.65 57.93 1r3b h GLN 164 Cb 0.42 0.15 -0.28 0.00 0.00 0.00 0.00 27.48 27.77 1r3b h GLN 164 CO 0.01 -0.44 0.84 -2.39 0.00 0.00 0.00 178.83 176.86 1r3b n HIS 165 N -4.72 2.54 -0.14 3.99 1.44 -0.54 -4.76 115.22 113.04 1r3b n HIS 165 Ca -0.08 -2.63 -0.11 0.00 -2.01 0.00 0.00 57.72 52.89 1r3b n HIS 165 Cb 0.33 -1.19 -0.02 0.00 0.12 0.00 0.00 29.99 29.23 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 4.78 0.91 -0.65 -1.40 3.04 -1.49 -3.00 116.94 119.14 1r3b h PHE 166 Ca 0.36 -0.21 -0.08 0.00 3.98 0.00 0.00 57.97 62.02 1r3b h PHE 166 Cb 0.47 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1r3b h PHE 166 CO 1.16 0.95 0.09 0.22 -2.02 0.00 0.00 178.31 178.70 1r3b h ASP 167 N 0.62 1.03 -0.29 0.41 1.82 -1.88 -2.62 116.42 115.51 1r3b h ASP 167 Ca 0.10 -0.25 0.04 0.00 -0.39 0.00 0.00 57.03 56.52 1r3b h ASP 167 Cb 0.68 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1r3b h ASP 167 CO 0.05 1.03 0.19 0.00 -1.61 0.00 0.00 179.24 178.91 1r3b h ALA 168 N 1.08 1.98 0.26 -0.78 0.00 -1.92 0.50 119.26 120.39 1r3b h ALA 168 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1r3b h ALA 168 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1r3b h ALA 168 CO 0.02 -0.02 -0.13 0.28 0.00 0.00 0.00 179.25 179.39 1r3b h VAL 169 N 0.23 0.79 0.00 0.00 2.07 -1.33 -2.95 116.25 115.06 1r3b h VAL 169 Ca 0.12 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1r3b h VAL 169 Cb 0.20 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1r3b h VAL 169 CO -0.02 0.10 -0.49 0.00 0.02 0.00 0.00 177.57 177.18 1r3b h MET 170 N -0.60 0.00 -0.33 1.57 -0.00 -1.49 -2.98 114.93 111.09 1r3b h MET 170 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1r3b h MET 170 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.02 1r3b h MET 170 CO 0.06 0.49 0.22 0.37 -0.00 0.00 0.00 176.91 178.04 1r3b h GLN 171 N 0.00 0.43 0.02 -0.10 -0.00 -0.85 -2.05 115.11 112.56 1r3b h GLN 171 Ca -0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 1r3b h GLN 171 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.37 1r3b h GLN 171 CO 0.06 0.29 -0.26 -0.07 0.00 0.00 0.00 178.83 178.85 1r3b h LEU 172 N 0.45 0.08 -5.00 -2.39 3.38 -1.40 -3.46 115.31 106.97 1r3b h LEU 172 Ca 0.12 -0.95 -0.06 0.00 0.09 0.00 0.00 57.88 57.08 1r3b h LEU 172 Cb -0.05 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.55 1r3b h LEU 172 CO -0.03 1.11 0.02 0.00 0.09 0.00 0.00 178.44 179.63 1r3b n GLN 173 N -4.50 0.07 -0.36 1.13 1.13 -1.12 -5.15 117.38 108.58 1r3b n GLN 173 Ca -0.13 -0.61 0.05 0.00 -1.94 0.00 0.00 57.00 54.37 1r3b n GLN 173 Cb 0.56 -0.12 -0.01 0.00 0.11 0.00 0.00 30.24 30.77 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1r3b n GLU 174 N 1.32 -0.72 -1.39 -1.09 4.07 -0.79 -3.75 120.64 118.29 1r3b n GLU 174 Ca -0.01 0.48 -0.30 0.00 -0.06 0.00 0.00 57.16 57.27 1r3b n GLU 174 Cb 0.72 -0.88 0.03 0.00 -0.06 0.00 0.00 31.44 31.25 1r3b n GLU 174 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1r3b n GLU 175 N -1.86 2.43 -0.09 5.31 4.71 -1.26 -3.72 120.64 126.15 1r3b n GLU 175 Ca 0.00 -2.72 -0.17 0.00 -0.01 0.00 0.00 57.16 54.26 1r3b n GLU 175 Cb 0.16 -2.09 -0.10 0.00 -1.01 0.00 0.00 31.44 28.41 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r3b h ALA 176 N 2.31 0.17 -0.03 0.62 0.00 -1.91 -3.14 119.26 117.28 1r3b h ALA 176 Ca 0.48 -0.94 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1r3b h ALA 176 Cb 0.64 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1r3b h ALA 176 CO 1.21 0.54 -0.23 1.25 0.00 0.00 0.00 179.25 182.01 1r3b h HIS 177 N -1.00 -0.61 0.31 0.00 6.17 -1.79 0.84 115.15 119.07 1r3b h HIS 177 Ca -0.23 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 60.86 1r3b h HIS 177 Cb 1.08 0.28 -0.00 0.00 2.52 0.00 0.00 27.41 31.28 1r3b h HIS 177 CO 0.07 -0.32 -0.18 1.25 0.71 0.00 0.00 177.93 179.46 1r3b h LEU 178 N -0.35 -0.46 -1.00 0.26 6.46 -1.88 -0.50 115.31 117.84 1r3b h LEU 178 Ca 0.07 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1r3b h LEU 178 Cb 0.44 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.44 1r3b h LEU 178 CO -0.23 -0.30 0.65 -1.13 -0.62 0.00 0.00 178.44 176.81 1r3b h ASN 179 N -0.47 1.03 0.68 1.25 -1.24 -1.45 0.60 115.58 115.98 1r3b h ASN 179 Ca -0.03 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.96 1r3b h ASN 179 Cb 0.39 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1r3b h ASN 179 CO 0.04 0.65 -0.34 0.74 -1.29 0.00 0.00 177.43 177.22 1r3b h THR 180 N 1.16 0.30 -0.07 -3.57 2.02 0.11 -0.73 112.91 112.13 1r3b h THR 180 Ca 0.44 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.58 1r3b h THR 180 Cb 0.20 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1r3b h THR 180 CO -0.18 0.00 -0.16 -1.28 0.37 0.00 0.00 175.52 174.27 1r3b h SER 181 N -0.94 0.10 0.01 4.18 0.87 -0.75 -1.91 113.55 115.12 1r3b h SER 181 Ca -0.09 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 1r3b h SER 181 Cb 0.73 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1r3b h SER 181 CO 0.14 0.28 -0.12 0.15 -0.53 0.00 0.00 176.83 176.76 1r3b h PHE 182 N 0.11 0.24 -0.59 2.24 3.57 0.63 -2.29 116.94 120.85 1r3b h PHE 182 Ca 0.02 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1r3b h PHE 182 Cb 0.35 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1r3b h PHE 182 CO 0.00 0.36 0.40 -0.22 -2.23 0.00 0.00 178.31 176.62 1r3b h LYS 183 N 0.23 0.26 -0.50 1.11 1.63 -0.29 -0.45 116.57 118.55 1r3b h LYS 183 Ca 0.05 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.75 1r3b h LYS 183 Cb 0.35 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1r3b h LYS 183 CO 0.02 0.17 0.01 0.45 -3.45 0.00 0.00 179.45 176.65 1r3b h HIS 184 N 0.26 0.96 -0.01 1.91 3.86 -1.52 0.57 115.15 121.18 1r3b h HIS 184 Ca 0.28 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1r3b h HIS 184 Cb 0.75 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1r3b h HIS 184 CO -0.00 0.89 0.01 0.74 0.86 0.00 0.00 177.93 180.43 1r3b h PHE 185 N 0.75 0.00 0.01 2.45 0.04 -1.16 -0.51 116.94 118.51 1r3b h PHE 185 Ca 0.14 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.54 1r3b h PHE 185 Cb 0.50 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 1r3b h PHE 185 CO 0.04 0.00 -2.06 -0.89 -0.60 0.00 0.00 178.31 174.79 1r3b n ILE 186 N -3.90 1.55 -0.07 -0.55 -0.00 -0.91 -3.78 119.36 111.70 1r3b n ILE 186 Ca -0.03 -0.32 -0.08 0.00 -0.00 0.00 0.00 62.75 62.32 1r3b n ILE 186 Cb 0.09 -1.86 -0.01 0.00 -0.00 0.00 0.00 39.64 37.85 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 1r3b h PHE 187 N -0.77 0.20 0.23 1.39 0.04 0.25 0.53 116.94 118.82 1r3b h PHE 187 Ca -0.55 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.22 1r3b h PHE 187 Cb 1.59 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.69 1r3b h PHE 187 CO 0.00 0.10 -0.11 0.35 -0.60 0.00 0.00 178.31 178.06 1r3b h PHE 188 N 0.24 -0.29 -0.69 -0.55 3.57 -1.30 -0.32 116.94 117.59 1r3b h PHE 188 Ca 0.11 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1r3b h PHE 188 Cb 0.06 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1r3b h PHE 188 CO -0.11 -0.16 0.41 -0.39 -2.23 0.00 0.00 178.31 175.83 1r3b h VAL 189 N -0.34 1.20 0.00 1.41 -1.51 -1.61 -1.75 116.25 113.66 1r3b h VAL 189 Ca -0.03 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 1r3b h VAL 189 Cb 0.26 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 29.66 1r3b h VAL 189 CO 0.05 0.21 -0.12 1.56 -1.23 0.00 0.00 177.57 178.05 1r3b h GLN 190 N 0.95 0.00 0.07 5.19 4.20 0.30 2.39 115.11 128.20 1r3b h GLN 190 Ca 0.25 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.70 1r3b h GLN 190 Cb -0.02 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.77 1r3b h GLN 190 CO -0.05 0.12 -1.10 1.49 -0.67 0.00 0.00 178.83 178.62 1r3b h GLU 191 N 0.00 0.39 0.00 1.46 4.57 -0.23 -3.37 114.58 117.40 1r3b h GLU 191 Ca -0.00 -0.51 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 1r3b h GLU 191 Cb 0.21 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 1r3b h GLU 191 CO 0.01 1.19 -0.37 1.19 -1.18 0.00 0.00 179.01 179.85 1r3b n PHE 192 N -3.68 0.00 0.00 0.92 3.01 -0.75 -4.96 117.46 112.00 1r3b n PHE 192 Ca -0.08 -0.96 0.00 0.00 1.01 0.00 0.00 57.45 57.41 1r3b n PHE 192 Cb 0.93 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 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 -0.88 0.00 0.00 4.37 2.85 0.69 -4.98 115.26 117.31 1r3b n ASN 193 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1r3b n ASN 193 Cb 0.73 0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.89 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1r3b n LEU 194 N -1.41 0.00 -3.64 1.20 0.00 0.50 -4.86 117.00 108.79 1r3b n LEU 194 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 1r3b n LEU 194 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.35 1r3b n LEU 194 CO 0.00 0.00 0.49 -0.63 0.00 0.00 0.00 177.39 177.25 1r3b s ILE 195 N -1.76 0.00 0.00 1.96 1.09 -1.26 -4.84 121.20 116.38 1r3b s ILE 195 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1r3b s ILE 195 Cb 0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1r3b s ILE 195 CO 0.00 0.00 0.00 0.47 -0.10 0.00 0.00 174.94 175.31 1r3b n ASP 196 N 3.82 0.00 0.00 3.58 8.00 -1.26 -5.05 116.55 125.64 1r3b n ASP 196 Ca -0.18 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1r3b n ASP 196 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1r3b n ASP 196 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1r3b n ARG 197 N 0.00 0.00 0.00 -1.24 5.12 -1.26 -4.32 116.66 114.96 1r3b n ARG 197 Ca 0.00 0.01 0.09 0.00 -1.93 0.00 0.00 57.85 56.02 1r3b n ARG 197 Cb 0.00 -0.17 0.41 0.00 -1.16 0.00 0.00 32.46 31.54 1r3b n ARG 197 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1r3b n ARG 198 N -1.66 0.10 -0.06 5.56 3.00 -1.26 -1.63 116.66 120.72 1r3b n ARG 198 Ca 0.00 0.16 -0.04 0.00 -0.01 0.00 0.00 57.85 57.97 1r3b n ARG 198 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.93 1r3b n ARG 198 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1r3b h GLU 199 N 0.00 0.00 -0.00 5.56 5.08 -1.89 -3.37 114.58 119.96 1r3b h GLU 199 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r3b h GLU 199 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1r3b h GLU 199 CO 0.00 0.24 -0.24 1.28 -1.00 0.00 0.00 179.01 179.29 1r3b n LEU 200 N -4.73 0.34 0.08 1.33 4.77 -1.23 -4.22 117.00 113.34 1r3b n LEU 200 Ca -0.03 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1r3b n LEU 200 Cb 0.13 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1r3b n LEU 200 CO 0.08 0.08 0.57 0.00 -1.33 0.00 0.00 177.39 176.79 1r3b h ALA 201 N 3.15 -0.77 -0.31 -1.18 0.00 -1.46 -2.03 119.26 116.66 1r3b h ALA 201 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 1r3b h ALA 201 Cb 0.47 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 1r3b h ALA 201 CO 0.00 -1.01 0.17 -0.35 0.00 0.00 0.00 179.25 178.06 1r3b n PRO 202 N -5.46 1.86 0.00 0.00 -0.04 -1.26 -3.73 135.00 126.37 1r3b n PRO 202 Ca -0.07 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 1r3b n PRO 202 Cb 0.38 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1r3b n PRO 202 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r3b n LEU 203 N 1.14 1.11 0.25 1.53 7.94 -0.76 -4.69 117.00 123.52 1r3b n LEU 203 Ca 0.32 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.35 1r3b n LEU 203 Cb 0.62 0.00 0.61 0.00 0.53 0.00 0.00 43.42 45.18 1r3b n LEU 203 CO 0.24 0.19 0.90 -0.61 -1.11 0.00 0.00 177.39 177.00 1r3b h GLN 204 N 0.00 0.00 0.00 1.96 5.75 -1.64 -2.87 115.11 118.32 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1r3b h GLN 204 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1r3b h GLN 204 CO 0.00 0.14 -0.00 1.49 -2.65 0.00 0.00 178.83 177.81 1r3b h GLU 205 N 0.00 -0.01 -0.41 1.69 4.81 -1.86 -2.62 114.58 116.18 1r3b h GLU 205 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1r3b h GLU 205 Cb 0.56 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1r3b h GLU 205 CO 0.02 0.79 0.25 1.37 -0.73 0.00 0.00 179.01 180.71 1r3b h LEU 206 N -0.81 0.48 -0.49 1.64 8.10 -1.82 0.32 115.31 122.72 1r3b h LEU 206 Ca -0.00 -0.02 -0.17 0.00 0.11 0.00 0.00 57.88 57.80 1r3b h LEU 206 Cb 0.80 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1r3b h LEU 206 CO 0.00 0.37 -0.68 0.40 -4.11 0.00 0.00 178.44 174.42 1r3b h ILE 207 N 0.57 1.39 0.05 0.15 1.08 -1.59 -2.12 117.51 117.03 1r3b h ILE 207 Ca 0.15 -2.10 -0.19 0.00 -0.39 0.00 0.00 64.86 62.33 1r3b h ILE 207 Cb -0.03 2.08 0.02 0.00 -3.07 0.00 0.00 36.82 35.81 1r3b h ILE 207 CO -0.03 0.63 -0.76 -0.33 -0.69 0.00 0.00 178.15 176.97 1r3b h GLU 208 N 0.24 0.43 -0.84 2.37 5.08 -0.93 -1.50 114.58 119.44 1r3b h GLU 208 Ca -0.02 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.79 1r3b h GLU 208 Cb 1.23 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1r3b h GLU 208 CO 0.11 1.19 0.42 -0.22 -1.00 0.00 0.00 179.01 179.51 1r3b h LYS 209 N -0.09 1.19 -0.05 2.33 1.63 -0.45 -2.85 116.57 118.29 1r3b h LYS 209 Ca -0.11 -0.16 -0.25 0.00 -0.85 0.00 0.00 60.65 59.28 1r3b h LYS 209 Cb 1.49 -0.22 0.02 0.00 -0.60 0.00 0.00 32.23 32.91 1r3b h LYS 209 CO 0.15 0.90 -0.95 1.25 -3.45 0.00 0.00 179.45 177.35 1r3b h LEU 210 N 1.18 0.89 0.00 5.20 6.46 -1.45 -3.50 115.31 124.08 1r3b h LEU 210 Ca 0.29 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1r3b h LEU 210 Cb 0.09 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1r3b h LEU 210 CO -0.04 1.46 0.00 0.61 -0.62 0.00 0.00 178.44 179.86 1r3b n GLY 211 N 0.94 2.00 2.75 3.75 0.00 -0.56 -5.06 105.19 109.02 1r3b n GLY 211 Ca -0.09 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 43.92 1r3b n GLY 211 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 212 N -0.15 1.18 0.09 1.61 0.01 -1.26 -4.90 113.70 110.28 1r3b s SER 212 Ca 0.00 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.31 1r3b s SER 212 Cb 0.00 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 1r3b s SER 212 CO 0.00 -0.19 -0.18 -0.54 0.41 0.00 0.00 173.24 172.74 1r3b s LYS 213 N 1.80 1.02 -0.29 12.44 1.02 -1.26 -5.13 119.74 129.34 1r3b s LYS 213 Ca 0.01 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 54.79 1r3b s LYS 213 Cb -0.13 -1.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.96 1r3b s LYS 213 CO -0.04 0.27 0.18 0.16 -0.92 0.00 0.00 175.35 175.00 1r3b s ASP 214 N -1.89 5.84 0.00 2.83 -4.77 -1.26 -5.35 116.67 112.07 1r3b s ASP 214 Ca 0.04 -0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.09 1r3b s ASP 214 Cb -0.10 -2.08 0.00 0.00 -1.09 0.00 0.00 42.92 39.65 1r3b s ASP 214 CO 0.04 -0.11 0.00 -1.14 0.70 0.00 0.00 175.17 174.66