#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yue s SER 2 N 0.00 -0.72 0.32 1.61 0.15 -1.26 -5.18 113.70 108.62 2yue s SER 2 Ca 0.00 1.37 -0.13 0.00 0.70 0.00 0.00 55.95 57.88 2yue s SER 2 Cb 0.00 1.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.71 2yue s SER 2 CO 0.00 -0.24 0.62 -0.44 1.20 0.00 0.00 173.24 174.39 2yue s SER 3 N 0.42 0.10 0.00 5.45 0.01 -1.26 -5.14 113.70 113.28 2yue s SER 3 Ca -0.00 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2yue s SER 3 Cb -0.05 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2yue s SER 3 CO -0.01 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2yue n GLY 4 N -0.48 -1.41 1.60 3.44 0.00 -1.26 -5.10 105.19 101.97 2yue n GLY 4 Ca -0.04 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2yue n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yue n SER 5 N 0.00 0.00 -4.08 1.61 7.64 -1.26 -5.16 113.62 112.36 2yue n SER 5 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2yue n SER 5 Cb 0.00 0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 2yue n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yue s SER 6 N -0.76 0.44 0.00 6.43 0.01 -1.26 -5.16 113.70 113.40 2yue s SER 6 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2yue s SER 6 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2yue s SER 6 CO 0.00 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2yue n GLY 7 N 0.07 0.86 1.07 3.44 0.00 -1.26 -5.17 105.19 104.20 2yue n GLY 7 Ca -0.13 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2yue n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yue n PRO 8 N 0.00 -1.67 -1.65 1.61 -0.04 -1.26 -4.92 135.00 127.07 2yue n PRO 8 Ca 0.00 -0.53 -0.46 0.00 -0.04 0.00 0.00 63.50 62.47 2yue n PRO 8 Cb 0.00 -0.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.93 2yue n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2yue n LEU 9 N 0.00 2.82 -4.38 1.53 7.94 -1.26 -4.99 117.00 118.65 2yue n LEU 9 Ca 0.05 1.14 -0.19 0.00 -1.11 0.00 0.00 56.01 55.89 2yue n LEU 9 Cb 0.18 -1.39 -0.10 0.00 0.53 0.00 0.00 43.42 42.64 2yue n LEU 9 CO 0.12 -0.61 -0.24 -1.10 -1.11 0.00 0.00 177.39 174.45 2yue s GLN 10 N -0.27 1.57 -0.06 1.96 -0.21 -1.26 -4.93 119.66 116.47 2yue s GLN 10 Ca 0.70 -1.88 -0.22 0.00 0.02 0.00 0.00 55.36 53.99 2yue s GLN 10 Cb -0.69 -0.43 -0.04 0.00 1.00 0.00 0.00 33.01 32.84 2yue s GLN 10 CO 0.49 -0.32 0.62 -0.06 -2.12 0.00 0.00 175.29 173.91 2yue s PHE 11 N -3.54 3.60 0.59 0.91 0.40 -1.26 -0.47 117.98 118.20 2yue s PHE 11 Ca 0.35 1.16 -0.17 0.00 -0.60 0.00 0.00 56.93 57.68 2yue s PHE 11 Cb 0.07 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.87 2yue s PHE 11 CO 0.15 0.18 1.09 -1.58 0.70 0.00 0.00 175.22 175.76 2yue s HIS 12 N 0.46 2.78 0.23 0.36 2.46 -1.12 -4.55 115.29 115.92 2yue s HIS 12 Ca 0.33 1.54 -0.06 0.00 0.47 0.00 0.00 55.06 57.34 2yue s HIS 12 Cb -0.17 -3.14 0.40 0.00 -0.13 0.00 0.00 32.58 29.53 2yue s HIS 12 CO 0.16 -1.40 1.73 0.77 -2.47 0.00 0.00 174.74 173.53 2yue h SER 13 N 0.59 0.21 -2.49 9.88 0.02 -1.93 -3.40 113.55 116.44 2yue h SER 13 Ca -0.48 0.11 -0.56 0.00 -0.84 0.00 0.00 61.79 60.02 2yue h SER 13 Cb 1.24 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 2yue h SER 13 CO 0.56 0.09 1.21 0.54 -1.14 0.00 0.00 176.83 178.09 2yue s VAL 14 N -6.05 3.37 0.01 2.27 0.11 -1.26 -4.89 120.40 113.95 2yue s VAL 14 Ca -0.13 0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 59.19 2yue s VAL 14 Cb 0.19 -3.34 0.05 0.00 -1.53 0.00 0.00 36.38 31.76 2yue s VAL 14 CO 0.76 -0.11 0.72 0.00 -3.33 0.00 0.00 175.10 173.13 2yue n HIS 15 N 8.44 -0.42 -1.09 1.54 -0.00 -1.26 -3.86 115.22 118.56 2yue n HIS 15 Ca 0.21 -0.48 -0.35 0.00 -0.00 0.00 0.00 57.72 57.10 2yue n HIS 15 Cb 0.43 0.22 0.08 0.00 -0.00 0.00 0.00 29.99 30.72 2yue n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2yue n GLY 16 N -0.52 -2.02 0.15 -1.39 0.00 0.71 -4.93 105.19 97.19 2yue n GLY 16 Ca 0.02 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 2yue n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2yue h ASP 17 N -0.78 0.71 -0.82 1.61 3.58 -1.82 -3.32 116.42 115.58 2yue h ASP 17 Ca -0.45 -0.93 -0.37 0.00 0.42 0.00 0.00 57.03 55.71 2yue h ASP 17 Cb 1.33 -0.23 -0.22 0.00 1.72 0.00 0.00 39.33 41.93 2yue h ASP 17 CO 0.38 1.76 0.46 0.59 -2.88 0.00 0.00 179.24 179.56 2yue n ASN 18 N -3.65 4.05 -4.43 2.28 3.02 -1.26 -4.88 115.26 110.39 2yue n ASN 18 Ca -0.22 -3.32 -0.39 0.00 -0.03 0.00 0.00 54.58 50.62 2yue n ASN 18 Cb 1.08 -0.78 -0.12 0.00 -0.61 0.00 0.00 39.78 39.36 2yue n ASN 18 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2yue s ILE 19 N -2.90 4.59 -0.61 2.41 -1.09 -1.25 -2.89 121.20 119.45 2yue s ILE 19 Ca 0.51 -0.49 -0.23 0.00 -2.23 0.00 0.00 60.65 58.22 2yue s ILE 19 Cb 0.42 -3.37 0.06 0.00 -1.58 0.00 0.00 42.46 37.99 2yue s ILE 19 CO 0.11 0.02 0.93 -0.60 -1.23 0.00 0.00 174.94 174.17 2yue s ARG 20 N 1.60 3.19 -0.95 2.79 3.52 0.51 -4.90 118.95 124.71 2yue s ARG 20 Ca 0.04 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 54.98 2yue s ARG 20 Cb -0.17 -4.15 0.24 0.00 -1.56 0.00 0.00 34.95 29.30 2yue s ARG 20 CO 0.06 -1.64 0.87 0.42 -0.81 0.00 0.00 175.30 174.19 2yue s ILE 21 N 3.91 4.87 -0.11 4.11 1.01 -1.26 -1.25 121.20 132.48 2yue s ILE 21 Ca 0.25 -3.65 -0.05 0.00 0.00 0.00 0.00 60.65 57.19 2yue s ILE 21 Cb -0.15 -3.99 0.05 0.00 0.01 0.00 0.00 42.46 38.38 2yue s ILE 21 CO 0.14 -1.11 0.25 -0.94 0.00 0.00 0.00 174.94 173.28 2yue s SER 22 N 0.40 -0.22 0.30 3.58 1.04 -1.15 -4.88 113.70 112.77 2yue s SER 22 Ca 0.28 0.54 -0.18 0.00 0.48 0.00 0.00 55.95 57.07 2yue s SER 22 Cb -0.09 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2yue s SER 22 CO -0.11 -0.17 0.69 -0.60 0.98 0.00 0.00 173.24 174.04 2yue s ARG 23 N 1.37 1.85 0.61 4.02 3.52 -1.26 -4.80 118.95 124.26 2yue s ARG 23 Ca -0.08 -1.14 0.31 0.00 -0.13 0.00 0.00 55.73 54.68 2yue s ARG 23 Cb -0.10 0.59 1.75 0.00 -1.56 0.00 0.00 34.95 35.63 2yue s ARG 23 CO -0.09 -0.84 2.12 0.22 -0.81 0.00 0.00 175.30 175.90 2yue h ASP 24 N 2.04 0.00 0.00 -2.12 3.58 -2.01 -3.39 116.42 114.51 2yue h ASP 24 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2yue h ASP 24 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2yue h ASP 24 CO 0.29 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 2yue n GLY 25 N -1.35 -0.19 3.45 -0.78 0.00 -1.26 -5.12 105.19 99.94 2yue n GLY 25 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2yue n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yue s THR 26 N -1.20 -0.87 -0.08 2.61 -4.23 -1.26 -5.06 115.64 105.55 2yue s THR 26 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.20 2yue s THR 26 Cb 0.00 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.93 2yue s THR 26 CO 0.00 0.00 0.77 -0.22 -0.54 0.00 0.00 174.62 174.63 2yue s LEU 27 N 2.81 -0.57 -0.15 4.79 0.20 -1.26 -3.84 118.68 120.65 2yue s LEU 27 Ca 0.02 0.61 -0.02 0.00 0.69 0.00 0.00 54.13 55.43 2yue s LEU 27 Cb -0.12 2.35 0.05 0.00 -0.43 0.00 0.00 46.19 48.03 2yue s LEU 27 CO -0.19 -0.54 -0.00 0.00 -0.29 0.00 0.00 176.35 175.33 2yue s ALA 28 N -1.23 1.08 0.26 5.97 0.00 0.64 -2.91 121.76 125.56 2yue s ALA 28 Ca -0.08 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.37 2yue s ALA 28 Cb -0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2yue s ALA 28 CO 0.07 -0.86 -0.12 -0.98 0.00 0.00 0.00 175.76 173.87 2yue s ARG 29 N 1.81 1.51 0.04 0.00 1.70 -0.38 -0.10 118.95 123.54 2yue s ARG 29 Ca 0.01 -1.72 -0.00 0.00 -0.47 0.00 0.00 55.73 53.55 2yue s ARG 29 Cb -0.15 -1.30 -0.04 0.00 -0.57 0.00 0.00 34.95 32.89 2yue s ARG 29 CO -0.07 0.16 0.19 -0.98 -1.08 0.00 0.00 175.30 173.51 2yue s ARG 30 N -3.65 3.37 -0.06 3.89 1.04 -0.96 -0.37 118.95 122.22 2yue s ARG 30 Ca 0.27 -0.44 -0.00 0.00 -1.04 0.00 0.00 55.73 54.52 2yue s ARG 30 Cb 0.00 -3.01 -0.00 0.00 -2.04 0.00 0.00 34.95 29.90 2yue s ARG 30 CO 0.11 0.62 -0.00 0.35 -0.04 0.00 0.00 175.30 176.34 2yue h PHE 31 N 3.31 0.00 -2.50 5.89 3.57 -1.90 -3.46 116.94 121.85 2yue h PHE 31 Ca -0.46 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 2yue h PHE 31 Cb 1.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2yue h PHE 31 CO 0.62 0.00 -0.01 0.39 -2.23 0.00 0.00 178.31 177.08 2yue n GLU 32 N -3.51 0.24 -2.01 1.11 1.02 -1.26 -5.07 120.64 111.16 2yue n GLU 32 Ca -0.00 -0.76 -0.26 0.00 -0.02 0.00 0.00 57.16 56.11 2yue n GLU 32 Cb 0.01 0.79 -0.06 0.00 -0.02 0.00 0.00 31.44 32.15 2yue n GLU 32 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yue s SER 33 N -1.62 4.98 -0.01 1.62 0.01 -1.26 -4.50 113.70 112.92 2yue s SER 33 Ca 0.07 -0.98 0.05 0.00 1.31 0.00 0.00 55.95 56.40 2yue s SER 33 Cb -0.01 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 2yue s SER 33 CO 0.05 -2.99 0.10 0.49 0.41 0.00 0.00 173.24 171.31 2yue n PHE 34 N 14.57 0.00 -1.21 2.43 3.72 -1.26 -5.13 117.46 130.57 2yue n PHE 34 Ca 0.42 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.98 2yue n PHE 34 Cb 0.47 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 2yue n PHE 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2yue n ARG 36 N -4.02 -2.84 0.00 0.00 0.63 -1.26 -4.87 116.66 104.30 2yue n ARG 36 Ca -0.04 2.37 0.00 0.00 -0.92 0.00 0.00 57.85 59.26 2yue n ARG 36 Cb 0.57 -4.22 0.00 0.00 0.45 0.00 0.00 32.46 29.26 2yue n ARG 36 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yue n ALA 37 N 1.02 1.67 -1.22 5.13 0.00 -1.26 -4.20 120.51 121.65 2yue n ALA 37 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 2yue n ALA 37 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 2yue n ALA 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yue n ILE 38 N -0.67 -2.13 -3.67 0.00 5.41 -1.26 -0.21 119.36 116.84 2yue n ILE 38 Ca 0.00 1.10 -0.13 0.00 1.00 0.00 0.00 62.75 64.72 2yue n ILE 38 Cb 0.00 -1.82 -0.07 0.00 -0.71 0.00 0.00 39.64 37.04 2yue n ILE 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2yue s THR 39 N -5.01 0.05 0.37 1.39 -4.23 0.12 -0.90 115.64 107.43 2yue s THR 39 Ca 0.00 -0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 2yue s THR 39 Cb 0.00 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 2yue s THR 39 CO 0.00 -0.23 0.12 -0.36 -0.54 0.00 0.00 174.62 173.61 2yue s PHE 40 N -2.19 1.79 0.09 3.99 0.40 -1.25 -0.93 117.98 119.89 2yue s PHE 40 Ca -0.07 -1.23 -0.23 0.00 -0.60 0.00 0.00 56.93 54.81 2yue s PHE 40 Cb -0.01 -1.13 -0.07 0.00 0.51 0.00 0.00 43.02 42.32 2yue s PHE 40 CO -0.00 -0.27 0.68 -1.54 0.70 0.00 0.00 175.22 174.79 2yue s SER 41 N -3.54 7.20 0.05 1.36 1.04 -0.75 -2.78 113.70 116.29 2yue s SER 41 Ca 0.29 1.42 -0.20 0.00 0.48 0.00 0.00 55.95 57.93 2yue s SER 41 Cb 0.04 -2.43 -0.13 0.00 0.10 0.00 0.00 66.02 63.61 2yue s SER 41 CO 0.15 0.19 1.41 0.00 0.98 0.00 0.00 173.24 175.97 2yue h ALA 42 N 4.77 0.22 -3.25 5.32 0.00 -1.02 -3.38 119.26 121.93 2yue h ALA 42 Ca -0.47 -0.27 -0.65 0.00 0.00 0.00 0.00 54.91 53.52 2yue h ALA 42 Cb 1.21 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 2yue h ALA 42 CO 0.66 0.02 -0.80 1.03 0.00 0.00 0.00 179.25 180.16 2yue s ARG 43 N -4.61 1.66 0.27 0.00 0.52 -1.26 -4.82 118.95 110.72 2yue s ARG 43 Ca -0.14 -1.42 -0.29 0.00 -0.52 0.00 0.00 55.73 53.35 2yue s ARG 43 Cb 0.06 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.48 2yue s ARG 43 CO 0.74 0.42 1.26 -1.25 0.02 0.00 0.00 175.30 176.48 2yue s PRO 44 N -2.62 4.44 0.50 3.54 0.04 -1.26 -4.79 135.00 134.85 2yue s PRO 44 Ca 0.21 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.38 2yue s PRO 44 Cb -0.08 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2yue s PRO 44 CO 0.11 -0.12 0.54 0.14 0.04 0.00 0.00 177.00 177.71 2yue s VAL 45 N -0.66 2.27 0.45 -0.36 -7.23 -0.22 -4.96 120.40 109.69 2yue s VAL 45 Ca 0.51 -1.23 0.08 0.00 -1.81 0.00 0.00 61.98 59.52 2yue s VAL 45 Cb -0.37 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.08 2yue s VAL 45 CO 0.44 0.00 0.43 -0.13 -0.31 0.00 0.00 175.10 175.54 2yue s ARG 46 N -4.37 2.50 0.01 4.82 0.52 -1.26 -3.99 118.95 117.18 2yue s ARG 46 Ca 0.49 -1.59 -0.09 0.00 -0.52 0.00 0.00 55.73 54.02 2yue s ARG 46 Cb -0.05 -2.40 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 2yue s ARG 46 CO 0.30 -0.32 0.96 0.82 0.02 0.00 0.00 175.30 177.09 2yue h ILE 47 N 0.88 0.00 0.00 1.52 1.08 -1.95 -3.08 117.51 115.96 2yue h ILE 47 Ca -0.40 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2yue h ILE 47 Cb 1.27 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2yue h ILE 47 CO 0.55 0.00 0.00 0.78 -0.69 0.00 0.00 178.15 178.79 2yue h ASN 48 N -0.39 0.00 -1.02 1.72 -0.26 -1.90 -3.03 115.58 110.70 2yue h ASN 48 Ca -0.03 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.16 2yue h ASN 48 Cb 0.26 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.49 2yue h ASN 48 CO 0.06 0.00 1.60 1.21 -1.06 0.00 0.00 177.43 179.24 2yue n GLU 49 N -2.88 0.79 -2.24 0.81 2.13 -1.17 -4.84 120.64 113.26 2yue n GLU 49 Ca -0.01 0.10 -0.43 0.00 0.66 0.00 0.00 57.16 57.49 2yue n GLU 49 Cb 0.17 -2.61 -0.02 0.00 0.27 0.00 0.00 31.44 29.25 2yue n GLU 49 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2yue s ARG 50 N 7.78 4.05 -0.38 5.31 6.06 -1.26 -4.69 118.95 135.81 2yue s ARG 50 Ca 1.12 1.72 -0.23 0.00 -2.50 0.00 0.00 55.73 55.84 2yue s ARG 50 Cb -0.69 -3.91 0.01 0.00 0.06 0.00 0.00 34.95 30.42 2yue s ARG 50 CO 0.40 -0.97 0.76 0.42 -2.50 0.00 0.00 175.30 173.41 2yue s ILE 51 N 4.25 4.74 -0.09 4.11 1.01 -0.48 -4.68 121.20 130.05 2yue s ILE 51 Ca 0.64 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.92 2yue s ILE 51 Cb -0.25 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 2yue s ILE 51 CO 0.24 -0.48 0.26 0.00 0.00 0.00 0.00 174.94 174.96 2yue s VAL 53 N -0.66 0.09 -0.04 0.00 1.01 -0.80 -1.75 120.40 118.24 2yue s VAL 53 Ca 0.18 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2yue s VAL 53 Cb -0.14 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2yue s VAL 53 CO 0.07 -0.42 -0.08 -0.75 0.00 0.00 0.00 175.10 173.92 2yue s LYS 54 N -1.70 1.07 -1.02 2.72 2.20 0.87 -0.09 119.74 123.79 2yue s LYS 54 Ca -0.12 -0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.01 2yue s LYS 54 Cb -0.06 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 2yue s LYS 54 CO 0.00 0.02 1.71 -0.06 -0.36 0.00 0.00 175.35 176.66 2yue s PHE 55 N 0.58 2.22 0.07 4.03 0.08 -0.49 -1.37 117.98 123.10 2yue s PHE 55 Ca -0.09 -0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.44 2yue s PHE 55 Cb -0.13 -4.39 -0.13 0.00 -0.57 0.00 0.00 43.02 37.80 2yue s PHE 55 CO 0.01 -1.78 1.45 0.00 -0.10 0.00 0.00 175.22 174.80 2yue h ALA 56 N 10.14 -1.04 -1.99 5.36 0.00 -1.79 -2.09 119.26 127.84 2yue h ALA 56 Ca 0.19 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 54.36 2yue h ALA 56 Cb 0.99 0.69 -0.12 0.00 0.00 0.00 0.00 17.79 19.35 2yue h ALA 56 CO 1.33 -1.08 -0.66 -1.21 0.00 0.00 0.00 179.25 177.63 2yue s GLU 57 N -5.28 1.98 0.04 0.00 0.41 -1.15 -4.55 118.70 110.15 2yue s GLU 57 Ca -0.14 -1.76 0.04 0.00 -0.41 0.00 0.00 54.97 52.70 2yue s GLU 57 Cb 0.04 -1.88 -0.02 0.00 -1.78 0.00 0.00 34.13 30.49 2yue s GLU 57 CO 0.49 0.19 -0.12 0.42 -0.49 0.00 0.00 175.26 175.74 2yue s ILE 58 N -2.52 0.94 0.19 -1.63 -1.09 -1.26 -3.00 121.20 112.83 2yue s ILE 58 Ca 0.33 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.84 2yue s ILE 58 Cb -0.01 -0.87 -0.03 0.00 -1.58 0.00 0.00 42.46 39.96 2yue s ILE 58 CO 0.18 -0.07 0.24 -0.94 -1.23 0.00 0.00 174.94 173.13 2yue s SER 59 N -1.16 5.97 0.00 3.58 1.04 -1.26 -4.61 113.70 117.26 2yue s SER 59 Ca -0.01 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2yue s SER 59 Cb -0.08 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.36 2yue s SER 59 CO 0.01 0.01 0.77 0.59 0.98 0.00 0.00 173.24 175.60 2yue n ASN 60 N -0.79 0.00 -2.67 7.02 4.13 -1.26 -4.66 115.26 117.02 2yue n ASN 60 Ca -0.08 0.77 -0.04 0.00 1.68 0.00 0.00 54.58 56.91 2yue n ASN 60 Cb 0.56 -0.27 0.10 0.00 -1.54 0.00 0.00 39.78 38.62 2yue n ASN 60 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2yue n ASN 61 N -1.61 -1.33 -3.12 6.41 5.15 -1.26 -5.00 115.26 114.49 2yue n ASN 61 Ca 0.00 -1.93 -0.16 0.00 -0.60 0.00 0.00 54.58 51.89 2yue n ASN 61 Cb 0.00 1.03 0.15 0.00 -0.53 0.00 0.00 39.78 40.43 2yue n ASN 61 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2yue n TRP 62 N 0.90 -2.89 -2.69 1.20 5.03 -1.25 -4.89 117.44 112.84 2yue n TRP 62 Ca -0.02 -0.41 -0.43 0.00 3.03 0.00 0.00 57.50 59.67 2yue n TRP 62 Cb 0.73 -0.66 -0.03 0.00 -1.03 0.00 0.00 31.31 30.33 2yue n TRP 62 CO 0.00 0.00 0.00 -0.80 -0.03 0.00 0.00 177.69 176.86 2yue s ASN 63 N -2.53 6.78 0.00 -0.99 -0.87 -1.26 -4.82 114.94 111.24 2yue s ASN 63 Ca 0.34 0.75 0.00 0.00 -1.57 0.00 0.00 52.86 52.39 2yue s ASN 63 Cb -0.06 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2yue s ASN 63 CO 0.29 -0.95 0.00 0.61 -2.57 0.00 0.00 177.10 174.48 2yue n GLY 64 N 4.26 -0.82 4.02 0.66 0.00 -1.26 -4.62 105.19 107.43 2yue n GLY 64 Ca 0.10 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 2yue n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yue s GLY 65 N -2.38 1.72 1.10 -0.02 0.00 -1.26 -3.74 107.32 102.74 2yue s GLY 65 Ca 0.00 -2.02 -0.12 0.00 0.00 0.00 0.00 44.72 42.58 2yue s GLY 65 CO 0.00 -1.44 1.06 -0.26 0.00 0.00 0.00 173.10 172.46 2yue s ILE 66 N -2.99 2.05 -0.10 0.90 -4.36 -1.26 -4.45 121.20 110.98 2yue s ILE 66 Ca 0.66 0.02 -0.08 0.00 -0.26 0.00 0.00 60.65 60.99 2yue s ILE 66 Cb -0.04 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.62 2yue s ILE 66 CO 0.43 -0.02 0.26 -0.13 0.24 0.00 0.00 174.94 175.72 2yue s ARG 67 N -4.52 0.28 0.04 0.37 3.00 -1.21 -3.48 118.95 113.43 2yue s ARG 67 Ca 0.68 0.42 -0.19 0.00 0.00 0.00 0.00 55.73 56.64 2yue s ARG 67 Cb -0.24 0.07 0.04 0.00 0.00 0.00 0.00 34.95 34.82 2yue s ARG 67 CO 0.63 -0.07 0.43 -0.59 0.00 0.00 0.00 175.30 175.70 2yue s PHE 68 N 0.46 -0.30 -0.23 -0.53 -0.71 -0.69 -0.48 117.98 115.51 2yue s PHE 68 Ca -0.03 0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.17 2yue s PHE 68 Cb -0.04 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 2yue s PHE 68 CO -0.02 -0.57 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 2yue n GLY 69 N 0.57 -0.71 3.49 1.99 0.00 -0.33 -1.20 105.19 109.00 2yue n GLY 69 Ca -0.19 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2yue n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yue s PHE 70 N -3.64 1.89 -0.21 1.61 0.08 -0.11 -0.51 117.98 117.09 2yue s PHE 70 Ca 0.00 -1.09 -0.11 0.00 0.12 0.00 0.00 56.93 55.86 2yue s PHE 70 Cb 0.00 -1.25 0.07 0.00 -0.57 0.00 0.00 43.02 41.27 2yue s PHE 70 CO 0.00 -0.10 0.50 -0.08 -0.10 0.00 0.00 175.22 175.44 2yue s THR 71 N -3.24 -0.15 0.16 0.64 -1.32 0.51 -0.11 115.64 112.13 2yue s THR 71 Ca 0.30 0.07 -0.07 0.00 -1.21 0.00 0.00 61.69 60.77 2yue s THR 71 Cb 0.06 -0.74 -0.06 0.00 -1.51 0.00 0.00 72.50 70.25 2yue s THR 71 CO 0.14 0.03 1.47 -1.28 -2.21 0.00 0.00 174.62 172.78 2yue h SER 72 N 7.28 0.82 -4.29 8.08 0.87 -0.82 -2.69 113.55 122.80 2yue h SER 72 Ca -0.31 -0.42 -0.51 0.00 -1.23 0.00 0.00 61.79 59.32 2yue h SER 72 Cb 1.18 -0.23 0.11 0.00 -0.44 0.00 0.00 62.40 63.02 2yue h SER 72 CO 0.22 1.18 0.34 0.20 -0.53 0.00 0.00 176.83 178.25 2yue s ASN 73 N -6.91 4.91 0.39 6.23 0.01 -1.13 -4.84 114.94 113.59 2yue s ASN 73 Ca -0.09 1.82 -0.23 0.00 -0.71 0.00 0.00 52.86 53.65 2yue s ASN 73 Cb 0.11 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 39.14 2yue s ASN 73 CO 0.87 -1.76 0.94 -1.81 -1.51 0.00 0.00 177.10 173.83 2yue s ASP 74 N -3.26 7.09 0.23 -1.22 1.01 -1.26 -4.79 116.67 114.46 2yue s ASP 74 Ca 0.62 1.74 -0.01 0.00 0.71 0.00 0.00 52.55 55.61 2yue s ASP 74 Cb -0.17 -2.55 0.23 0.00 1.01 0.00 0.00 42.92 41.44 2yue s ASP 74 CO 0.51 -0.24 1.59 1.55 0.21 0.00 0.00 175.17 178.79 2yue h PRO 75 N 2.40 0.51 -0.12 8.23 0.13 -1.95 -2.96 132.00 138.24 2yue h PRO 75 Ca -0.48 -0.27 0.04 0.00 -0.87 0.00 0.00 66.00 64.41 2yue h PRO 75 Cb 1.18 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yue h PRO 75 CO 0.63 0.85 0.11 -0.39 -0.23 0.00 0.00 178.00 178.97 2yue h VAL 76 N 0.42 0.67 -0.11 1.56 -1.51 -1.95 0.25 116.25 115.57 2yue h VAL 76 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 2yue h VAL 76 Cb 0.93 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2yue h VAL 76 CO 0.08 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.77 2yue n THR 77 N -4.10 0.15 0.17 7.19 -2.24 -1.12 -3.31 114.28 111.03 2yue n THR 77 Ca -0.00 -0.22 0.02 0.00 -2.27 0.00 0.00 64.05 61.58 2yue n THR 77 Cb 0.22 0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2yue n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yue n LEU 78 N -0.09 0.76 -4.52 3.22 4.77 0.86 -4.95 117.00 117.05 2yue n LEU 78 Ca 0.14 -0.75 -0.45 0.00 -0.03 0.00 0.00 56.01 54.92 2yue n LEU 78 Cb 0.22 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2yue n LEU 78 CO 0.11 0.17 1.90 1.21 -1.33 0.00 0.00 177.39 179.44 2yue n GLU 79 N -0.42 1.28 -0.36 3.23 2.13 -1.07 -0.03 120.64 125.39 2yue n GLU 79 Ca 0.02 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2yue n GLU 79 Cb 0.08 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 28.93 2yue n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yue n GLY 80 N 6.19 0.78 0.00 8.31 0.00 -1.26 -4.94 105.19 114.27 2yue n GLY 80 Ca 0.38 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2yue n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yue n THR 81 N -2.36 0.00 -1.47 2.61 -2.24 0.95 -5.01 114.28 106.76 2yue n THR 81 Ca 0.00 -0.48 -0.47 0.00 -2.27 0.00 0.00 64.05 60.83 2yue n THR 81 Cb 0.00 0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 2yue n THR 81 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yue n LEU 82 N -1.00 2.00 0.00 3.22 4.77 -1.24 -4.93 117.00 119.82 2yue n LEU 82 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2yue n LEU 82 Cb 0.00 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 2yue n LEU 82 CO 0.00 -0.85 0.00 -0.81 -1.33 0.00 0.00 177.39 174.40 2yue n PRO 83 N 8.37 -1.01 -0.04 3.23 -0.04 -1.26 -4.91 135.00 139.34 2yue n PRO 83 Ca 0.43 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 2yue n PRO 83 Cb 0.26 0.00 0.48 0.00 -0.04 0.00 0.00 33.50 34.20 2yue n PRO 83 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2yue n LYS 84 N -1.50 1.35 -3.65 0.54 5.02 -1.26 -4.76 118.16 113.89 2yue n LYS 84 Ca 0.00 -0.52 -0.06 0.00 -2.02 0.00 0.00 58.31 55.70 2yue n LYS 84 Cb 0.00 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 2yue n LYS 84 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2yue s TYR 85 N -1.91 -1.05 -0.83 2.13 6.14 -1.26 -4.76 117.35 115.82 2yue s TYR 85 Ca 0.30 2.05 0.14 0.00 0.64 0.00 0.00 57.07 60.21 2yue s TYR 85 Cb 0.15 0.61 0.61 0.00 0.42 0.00 0.00 41.96 43.76 2yue s TYR 85 CO 0.24 -0.53 1.44 0.00 0.64 0.00 0.00 175.55 177.34 2yue n ALA 86 N 4.52 1.48 -3.57 3.97 0.00 -1.26 -3.58 120.51 122.07 2yue n ALA 86 Ca -0.19 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 2yue n ALA 86 Cb 0.57 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 2yue n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yue n PRO 88 N 0.03 0.10 0.00 0.00 -0.04 -1.26 -4.83 135.00 129.00 2yue n PRO 88 Ca -0.04 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2yue n PRO 88 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2yue n PRO 88 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2yue n ASP 89 N -1.40 0.00 -3.76 3.54 9.92 -1.26 -1.38 116.55 122.21 2yue n ASP 89 Ca 0.05 0.73 -0.42 0.00 -0.53 0.00 0.00 54.79 54.62 2yue n ASP 89 Cb 0.14 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.37 2yue n ASP 89 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2yue n LEU 90 N -1.78 5.38 0.00 0.64 4.77 -1.00 -3.34 117.00 121.67 2yue n LEU 90 Ca 0.00 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.45 2yue n LEU 90 Cb 0.00 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 2yue n LEU 90 CO 0.00 0.28 0.00 0.35 -1.33 0.00 0.00 177.39 176.69 2yue n THR 91 N 5.68 0.00 -0.14 -5.08 -2.24 -1.08 -4.45 114.28 106.97 2yue n THR 91 Ca 0.51 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.55 2yue n THR 91 Cb 0.40 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.34 2yue n THR 91 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2yue h ASN 92 N 0.00 0.01 -4.21 3.42 7.08 -1.23 -3.38 115.58 117.27 2yue h ASN 92 Ca 0.00 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.69 2yue h ASN 92 Cb 0.00 -0.00 0.15 0.00 -2.08 0.00 0.00 38.32 36.39 2yue h ASN 92 CO 0.00 0.00 0.36 -0.13 -2.08 0.00 0.00 177.43 175.58 2yue s ARG 93 N -5.00 2.06 -0.25 4.14 0.52 -1.26 -4.92 118.95 114.25 2yue s ARG 93 Ca -0.05 1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 56.50 2yue s ARG 93 Cb 0.21 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 2yue s ARG 93 CO 0.76 -1.87 1.63 -1.25 0.02 0.00 0.00 175.30 174.60 2yue s PRO 94 N -4.14 3.70 0.00 3.54 0.04 -1.26 -3.13 135.00 133.75 2yue s PRO 94 Ca 0.71 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2yue s PRO 94 Cb -0.26 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2yue s PRO 94 CO 0.48 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2yue n GLY 95 N 4.82 1.59 3.11 0.56 0.00 -1.26 -4.81 105.19 109.21 2yue n GLY 95 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2yue n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yue s PHE 96 N -2.00 -0.45 -0.02 1.61 0.40 -1.18 -0.11 117.98 116.23 2yue s PHE 96 Ca 0.00 1.00 0.02 0.00 -0.60 0.00 0.00 56.93 57.34 2yue s PHE 96 Cb 0.00 0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.64 2yue s PHE 96 CO 0.00 -0.30 -0.05 -1.58 0.70 0.00 0.00 175.22 173.98 2yue s TRP 97 N 1.60 0.60 -0.23 0.36 0.51 0.84 -4.56 118.94 118.06 2yue s TRP 97 Ca -0.07 -0.12 -0.24 0.00 -2.12 0.00 0.00 56.10 53.55 2yue s TRP 97 Cb -0.10 -0.44 0.06 0.00 -0.81 0.00 0.00 33.47 32.18 2yue s TRP 97 CO -0.10 -0.06 0.66 0.00 -0.51 0.00 0.00 176.95 176.94 2yue s ALA 98 N 0.19 -1.64 0.40 0.98 0.00 -1.26 -0.93 121.76 119.50 2yue s ALA 98 Ca -0.02 1.80 0.05 0.00 0.00 0.00 0.00 51.96 53.79 2yue s ALA 98 Cb -0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2yue s ALA 98 CO -0.00 -0.32 0.19 0.21 0.00 0.00 0.00 175.76 175.84 2yue s LYS 99 N 0.19 1.94 0.02 0.00 2.47 -0.34 -4.95 119.74 119.06 2yue s LYS 99 Ca -0.01 -2.18 0.08 0.00 -1.56 0.00 0.00 55.97 52.30 2yue s LYS 99 Cb -0.04 -0.30 -0.02 0.00 -1.46 0.00 0.00 37.83 36.01 2yue s LYS 99 CO 0.02 -0.58 -0.24 0.00 0.16 0.00 0.00 175.35 174.71 2yue s ALA 100 N -3.24 2.05 0.34 3.13 0.00 -1.26 -1.70 121.76 121.08 2yue s ALA 100 Ca 0.27 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2yue s ALA 100 Cb 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2yue s ALA 100 CO 0.19 0.49 0.59 -1.17 0.00 0.00 0.00 175.76 175.86 2yue s LEU 101 N -0.93 3.97 1.17 0.00 0.20 -1.23 -5.03 118.68 116.83 2yue s LEU 101 Ca 0.10 0.65 -0.14 0.00 0.69 0.00 0.00 54.13 55.43 2yue s LEU 101 Cb -0.09 -3.50 0.28 0.00 -0.43 0.00 0.00 46.19 42.44 2yue s LEU 101 CO 0.01 -0.29 1.03 -2.28 -0.29 0.00 0.00 176.35 174.52 2yue s HIS 102 N -2.28 1.34 -0.80 5.38 2.46 -1.26 -4.68 115.29 115.46 2yue s HIS 102 Ca 0.43 1.05 0.24 0.00 0.47 0.00 0.00 55.06 57.25 2yue s HIS 102 Cb -0.10 -3.12 0.22 0.00 -0.13 0.00 0.00 32.58 29.45 2yue s HIS 102 CO 0.35 -3.83 1.19 -0.85 -2.47 0.00 0.00 174.74 169.13 2yue n GLU 103 N -4.86 0.15 0.00 2.88 0.28 -1.26 -3.83 120.64 114.00 2yue n GLU 103 Ca 0.04 0.01 0.16 0.00 -0.16 0.00 0.00 57.16 57.20 2yue n GLU 103 Cb 0.55 -1.56 0.89 0.00 1.43 0.00 0.00 31.44 32.75 2yue n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2yue n GLN 104 N -1.77 0.85 -0.61 3.44 10.64 -1.26 -3.18 117.38 125.49 2yue n GLN 104 Ca 0.04 -0.02 0.06 0.00 -1.83 0.00 0.00 57.00 55.25 2yue n GLN 104 Cb 0.39 -1.50 0.19 0.00 -0.86 0.00 0.00 30.24 28.46 2yue n GLN 104 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2yue n TYR 105 N -1.06 0.00 -1.02 2.61 4.01 -1.25 -4.70 117.16 115.74 2yue n TYR 105 Ca 0.21 -1.36 -0.11 0.00 -0.16 0.00 0.00 57.90 56.49 2yue n TYR 105 Cb 0.15 -0.23 0.27 0.00 -0.31 0.00 0.00 39.34 39.22 2yue n TYR 105 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2yue s GLU 107 N -2.99 1.88 0.35 0.00 0.41 -1.26 -4.96 118.70 112.13 2yue s GLU 107 Ca 0.54 0.93 -0.12 0.00 -0.41 0.00 0.00 54.97 55.92 2yue s GLU 107 Cb 0.44 -1.87 -0.07 0.00 -1.78 0.00 0.00 34.13 30.84 2yue s GLU 107 CO 0.13 -1.84 0.72 0.21 -0.49 0.00 0.00 175.26 173.99 2yue s LYS 108 N -4.96 3.85 -1.59 1.61 2.20 -1.26 -3.90 119.74 115.68 2yue s LYS 108 Ca 0.62 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 2yue s LYS 108 Cb -0.17 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2yue s LYS 108 CO 0.56 0.08 0.00 -3.47 -0.36 0.00 0.00 175.35 172.16 2yue n ASP 109 N -0.83 -4.72 -4.81 1.43 -0.08 -0.79 -4.94 116.55 101.82 2yue n ASP 109 Ca 0.02 0.23 -0.38 0.00 -1.51 0.00 0.00 54.79 53.15 2yue n ASP 109 Cb 0.53 -4.09 -0.06 0.00 2.34 0.00 0.00 41.12 39.84 2yue n ASP 109 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2yue s ASN 110 N -2.21 7.07 -0.52 1.67 -0.87 -1.25 -4.82 114.94 114.01 2yue s ASN 110 Ca 0.00 1.31 -0.20 0.00 -1.57 0.00 0.00 52.86 52.41 2yue s ASN 110 Cb 0.00 -2.38 0.06 0.00 -0.02 0.00 0.00 41.25 38.92 2yue s ASN 110 CO 0.00 0.21 0.66 -0.63 -2.57 0.00 0.00 177.10 174.77 2yue s ILE 111 N -1.22 4.82 -0.46 0.60 1.09 -1.26 -1.40 121.20 123.37 2yue s ILE 111 Ca 0.33 -0.50 -0.15 0.00 -1.10 0.00 0.00 60.65 59.23 2yue s ILE 111 Cb -0.19 -4.35 0.06 0.00 -1.06 0.00 0.00 42.46 36.93 2yue s ILE 111 CO 0.20 -0.88 0.37 -0.22 -0.10 0.00 0.00 174.94 174.31 2yue s LEU 112 N 2.76 5.50 -0.09 2.97 2.96 0.87 -2.51 118.68 131.14 2yue s LEU 112 Ca 0.16 -1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 52.81 2yue s LEU 112 Cb -0.19 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 2yue s LEU 112 CO 0.12 -0.60 -0.03 -0.72 -1.32 0.00 0.00 176.35 173.79 2yue s TYR 113 N 1.64 3.05 -0.03 5.38 -0.85 -0.59 -1.91 117.35 124.04 2yue s TYR 113 Ca 0.04 0.05 -0.09 0.00 -0.52 0.00 0.00 57.07 56.56 2yue s TYR 113 Cb -0.23 -1.79 0.01 0.00 0.38 0.00 0.00 41.96 40.33 2yue s TYR 113 CO 0.07 0.33 0.20 1.52 -1.52 0.00 0.00 175.55 176.15 2yue s TYR 114 N -0.65 -0.11 0.06 -3.49 1.13 -0.45 -0.61 117.35 113.24 2yue s TYR 114 Ca 0.10 0.22 -0.01 0.00 -1.41 0.00 0.00 57.07 55.97 2yue s TYR 114 Cb -0.12 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 2yue s TYR 114 CO 0.02 -0.23 0.10 2.48 -2.51 0.00 0.00 175.55 175.41 2yue n TYR 115 N 2.05 -0.89 -3.87 -3.49 4.11 0.14 -1.38 117.16 113.83 2yue n TYR 115 Ca -0.18 -0.36 -0.11 0.00 -0.00 0.00 0.00 57.90 57.25 2yue n TYR 115 Cb 0.57 0.12 -0.12 0.00 -0.00 0.00 0.00 39.34 39.91 2yue n TYR 115 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2yue s VAL 116 N -2.66 0.04 0.62 -3.48 0.11 -1.15 -0.10 120.40 113.78 2yue s VAL 116 Ca 0.04 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 2yue s VAL 116 Cb -0.00 -0.21 0.12 0.00 -1.53 0.00 0.00 36.38 34.75 2yue s VAL 116 CO 0.03 -0.17 0.85 -0.46 -3.33 0.00 0.00 175.10 172.02 2yue n ASN 117 N 2.45 1.31 0.00 3.54 0.23 -0.45 -3.30 115.26 119.04 2yue n ASN 117 Ca -0.17 -2.07 0.07 0.00 -0.53 0.00 0.00 54.58 51.89 2yue n ASN 117 Cb 0.58 -0.54 0.30 0.00 -2.08 0.00 0.00 39.78 38.04 2yue n ASN 117 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yue n GLY 118 N -1.67 -0.96 1.82 4.83 0.00 -1.26 -2.46 105.19 105.49 2yue n GLY 118 Ca 0.15 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2yue n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yue n ALA 119 N -1.48 4.46 -2.22 4.61 0.00 -1.26 -4.87 120.51 119.74 2yue n ALA 119 Ca 0.04 -1.98 -0.13 0.00 0.00 0.00 0.00 53.44 51.37 2yue n ALA 119 Cb 0.16 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 2yue n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yue n GLY 120 N -0.36 -0.16 3.41 0.00 0.00 -1.03 -4.91 105.19 102.14 2yue n GLY 120 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 2yue n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yue s ASP 121 N -2.04 5.01 -0.15 1.61 1.01 -1.26 -3.29 116.67 117.57 2yue s ASP 121 Ca 0.00 -0.34 -0.18 0.00 0.71 0.00 0.00 52.55 52.75 2yue s ASP 121 Cb 0.00 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 2yue s ASP 121 CO 0.00 -0.07 0.48 -0.69 0.21 0.00 0.00 175.17 175.10 2yue s VAL 122 N 1.57 5.17 0.08 -1.27 1.01 0.87 -1.35 120.40 126.48 2yue s VAL 122 Ca 0.06 0.92 0.09 0.00 0.00 0.00 0.00 61.98 63.05 2yue s VAL 122 Cb -0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2yue s VAL 122 CO 0.02 0.27 -0.24 -0.63 0.00 0.00 0.00 175.10 174.53 2yue s ILE 123 N 1.01 1.97 0.23 2.22 1.09 0.85 -0.43 121.20 128.14 2yue s ILE 123 Ca 0.25 -1.48 0.05 0.00 -1.10 0.00 0.00 60.65 58.36 2yue s ILE 123 Cb -0.15 -1.73 -0.05 0.00 -1.06 0.00 0.00 42.46 39.47 2yue s ILE 123 CO 0.10 0.16 -0.03 -0.72 -0.10 0.00 0.00 174.94 174.34 2yue s TYR 124 N -0.95 1.63 0.00 3.97 1.13 -1.25 -0.69 117.35 121.19 2yue s TYR 124 Ca 0.10 -0.84 -0.29 0.00 -1.41 0.00 0.00 57.07 54.64 2yue s TYR 124 Cb -0.10 -0.92 0.10 0.00 -1.10 0.00 0.00 41.96 39.94 2yue s TYR 124 CO 0.04 0.06 0.94 0.20 -2.51 0.00 0.00 175.55 174.28 2yue s GLY 125 N -3.32 -0.41 -0.07 5.49 0.00 0.22 -2.13 107.32 107.09 2yue s GLY 125 Ca 0.27 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.96 2yue s GLY 125 CO 0.08 0.30 -0.17 -0.42 0.00 0.00 0.00 173.10 172.89 2yue s ILE 126 N -3.06 1.49 -1.32 0.90 -1.09 -1.19 -1.55 121.20 115.38 2yue s ILE 126 Ca 0.07 -0.71 -0.02 0.00 -2.23 0.00 0.00 60.65 57.76 2yue s ILE 126 Cb -0.01 -1.30 -0.00 0.00 -1.58 0.00 0.00 42.46 39.57 2yue s ILE 126 CO -0.07 0.43 0.62 0.59 -1.23 0.00 0.00 174.94 175.29 2yue n ASN 127 N 3.50 -1.36 -3.39 3.58 3.02 -1.05 -2.51 115.26 117.05 2yue n ASN 127 Ca -0.20 -0.89 -0.20 0.00 -0.03 0.00 0.00 54.58 53.26 2yue n ASN 127 Cb 0.52 -3.72 0.06 0.00 -0.61 0.00 0.00 39.78 36.04 2yue n ASN 127 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2yue n ASN 128 N -3.01 -5.81 -3.00 6.41 3.02 -1.26 -4.99 115.26 106.62 2yue n ASN 128 Ca -0.28 -0.79 -0.13 0.00 -0.03 0.00 0.00 54.58 53.34 2yue n ASN 128 Cb 0.67 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.14 2yue n ASN 128 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yue n GLU 129 N -3.58 0.45 -1.83 3.52 1.02 -1.04 -5.14 120.64 114.03 2yue n GLU 129 Ca -0.10 -2.47 -0.37 0.00 -0.02 0.00 0.00 57.16 54.20 2yue n GLU 129 Cb 0.62 -1.52 0.05 0.00 -0.02 0.00 0.00 31.44 30.56 2yue n GLU 129 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2yue s GLU 130 N 0.45 2.95 -0.03 3.49 1.03 -1.26 -3.20 118.70 122.13 2yue s GLU 130 Ca 0.32 2.09 0.08 0.00 0.03 0.00 0.00 54.97 57.49 2yue s GLU 130 Cb 0.04 -2.07 -0.12 0.00 -0.80 0.00 0.00 34.13 31.18 2yue s GLU 130 CO -0.12 -1.30 0.15 1.63 -1.33 0.00 0.00 175.26 174.29 2yue n LYS 131 N -1.39 0.90 0.00 -4.83 4.76 -0.91 -4.97 118.16 111.73 2yue n LYS 131 Ca 0.13 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2yue n LYS 131 Cb 0.47 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 2yue n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yue n GLY 132 N 2.14 1.44 3.67 0.72 0.00 -1.26 -5.04 105.19 106.87 2yue n GLY 132 Ca -0.05 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 2yue n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yue s VAL 133 N -1.28 3.01 -0.10 1.61 0.11 -1.26 -3.84 120.40 118.65 2yue s VAL 133 Ca 0.00 0.25 0.09 0.00 -2.93 0.00 0.00 61.98 59.39 2yue s VAL 133 Cb 0.00 -3.16 -0.13 0.00 -1.53 0.00 0.00 36.38 31.56 2yue s VAL 133 CO 0.00 -0.01 0.03 0.00 -3.33 0.00 0.00 175.10 171.79 2yue n ILE 134 N 5.17 0.70 -4.46 7.04 3.06 0.43 -4.98 119.36 126.32 2yue n ILE 134 Ca 0.18 -0.43 -0.21 0.00 -2.50 0.00 0.00 62.75 59.79 2yue n ILE 134 Cb 0.41 -0.73 -0.14 0.00 0.54 0.00 0.00 39.64 39.72 2yue n ILE 134 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2yue s LEU 135 N -4.76 2.12 0.00 9.51 2.96 -1.13 -5.01 118.68 122.37 2yue s LEU 135 Ca -0.05 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2yue s LEU 135 Cb 0.03 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 2yue s LEU 135 CO 0.42 0.08 0.19 0.35 -1.32 0.00 0.00 176.35 176.07 2yue n THR 136 N 2.17 0.00 -0.64 3.68 -2.24 -1.26 -0.09 114.28 115.90 2yue n THR 136 Ca -0.17 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 2yue n THR 136 Cb 0.55 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2yue n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yue n GLY 137 N -0.57 0.67 3.50 3.38 0.00 -1.21 -4.99 105.19 105.98 2yue n GLY 137 Ca 0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2yue n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yue s ILE 138 N -2.00 4.59 0.52 -0.61 1.09 -1.21 -5.03 121.20 118.54 2yue s ILE 138 Ca 0.00 0.07 -0.21 0.00 -1.10 0.00 0.00 60.65 59.41 2yue s ILE 138 Cb 0.00 -4.42 -0.06 0.00 -1.06 0.00 0.00 42.46 36.92 2yue s ILE 138 CO 0.00 -0.94 1.21 -0.62 -0.10 0.00 0.00 174.94 174.48 2yue s ASP 139 N 2.66 5.70 -0.33 3.58 2.15 -1.26 -4.03 116.67 125.13 2yue s ASP 139 Ca 0.26 2.40 0.06 0.00 0.43 0.00 0.00 52.55 55.70 2yue s ASP 139 Cb -0.14 -2.61 0.45 0.00 -0.30 0.00 0.00 42.92 40.32 2yue s ASP 139 CO 0.18 -1.25 1.20 0.35 -0.17 0.00 0.00 175.17 175.48 2yue n THR 140 N -0.96 2.54 -0.06 1.71 -2.24 -1.26 -4.73 114.28 109.28 2yue n THR 140 Ca 0.10 -4.31 -0.12 0.00 -2.27 0.00 0.00 64.05 57.44 2yue n THR 140 Cb 0.48 -1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 67.51 2yue n THR 140 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2yue n ARG 141 N -0.67 0.30 -3.28 -0.78 5.12 -1.26 -5.07 116.66 111.01 2yue n ARG 141 Ca 0.44 0.13 -0.22 0.00 -1.93 0.00 0.00 57.85 56.27 2yue n ARG 141 Cb 0.90 -1.01 0.04 0.00 -1.16 0.00 0.00 32.46 31.24 2yue n ARG 141 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2yue s SER 142 N -6.20 4.94 1.10 0.55 0.01 -1.26 -5.09 113.70 107.75 2yue s SER 142 Ca -0.19 -0.98 -0.18 0.00 1.31 0.00 0.00 55.95 55.91 2yue s SER 142 Cb 0.06 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.77 2yue s SER 142 CO 0.25 -1.30 0.06 0.18 0.41 0.00 0.00 173.24 172.83 2yue n LEU 143 N -2.12 -2.06 -3.76 2.44 4.77 -1.26 -5.04 117.00 109.97 2yue n LEU 143 Ca 0.11 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2yue n LEU 143 Cb 0.62 -0.99 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 2yue n LEU 143 CO 0.40 -3.16 -0.02 -0.76 -1.33 0.00 0.00 177.39 172.52 2yue s LEU 144 N -1.28 0.70 0.13 2.23 1.43 -1.26 -4.85 118.68 115.79 2yue s LEU 144 Ca 0.56 0.65 0.11 0.00 -1.03 0.00 0.00 54.13 54.42 2yue s LEU 144 Cb -0.13 1.09 -0.04 0.00 0.03 0.00 0.00 46.19 47.14 2yue s LEU 144 CO 0.66 -0.12 -0.26 0.26 0.23 0.00 0.00 176.35 177.12 2yue s TRP 145 N 0.31 2.24 0.39 0.29 0.51 -1.01 -1.06 118.94 120.60 2yue s TRP 145 Ca -0.01 -0.39 -0.00 0.00 -2.12 0.00 0.00 56.10 53.58 2yue s TRP 145 Cb -0.03 -1.21 -0.03 0.00 -0.81 0.00 0.00 33.47 31.39 2yue s TRP 145 CO -0.01 0.33 0.61 0.95 -0.51 0.00 0.00 176.95 178.31 2yue s THR 146 N -1.09 4.82 -0.03 2.01 -4.23 -1.26 -0.36 115.64 115.50 2yue s THR 146 Ca 0.13 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.19 2yue s THR 146 Cb -0.10 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.98 2yue s THR 146 CO 0.06 -0.54 0.14 0.68 -0.54 0.00 0.00 174.62 174.42 2yue s VAL 147 N -2.42 0.04 -0.11 2.29 -7.23 0.33 -1.80 120.40 111.50 2yue s VAL 147 Ca 0.43 -0.37 -0.10 0.00 -1.81 0.00 0.00 61.98 60.13 2yue s VAL 147 Cb -0.10 -0.33 0.03 0.00 0.56 0.00 0.00 36.38 36.54 2yue s VAL 147 CO 0.38 -0.20 0.29 -0.63 -0.31 0.00 0.00 175.10 174.62 2yue s ILE 148 N -0.69 -0.00 -0.15 -0.62 1.01 -0.10 -1.19 121.20 119.46 2yue s ILE 148 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2yue s ILE 148 Cb -0.05 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.03 2yue s ILE 148 CO 0.01 0.00 -0.18 -0.62 0.00 0.00 0.00 174.94 174.14 2yue s ASP 149 N 0.18 2.91 -0.73 3.58 2.15 0.36 0.10 116.67 125.22 2yue s ASP 149 Ca -0.00 -0.56 -0.10 0.00 0.43 0.00 0.00 52.55 52.32 2yue s ASP 149 Cb -0.02 -1.33 0.19 0.00 -0.30 0.00 0.00 42.92 41.45 2yue s ASP 149 CO 0.00 0.02 0.62 0.27 -0.17 0.00 0.00 175.17 175.91 2yue s ILE 150 N 1.13 4.83 0.00 4.11 -0.00 -1.26 -3.28 121.20 126.73 2yue s ILE 150 Ca -0.01 -2.60 0.04 0.00 -0.00 0.00 0.00 60.65 58.09 2yue s ILE 150 Cb -0.14 -4.04 0.07 0.00 -0.00 0.00 0.00 42.46 38.35 2yue s ILE 150 CO -0.07 -0.96 0.88 0.00 -0.00 0.00 0.00 174.94 174.79 2yue n TYR 151 N 3.87 0.00 0.00 1.37 9.36 -1.26 -4.75 117.16 125.74 2yue n TYR 151 Ca 0.10 -0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.02 2yue n TYR 151 Cb 0.43 0.26 0.00 0.00 -0.63 0.00 0.00 39.34 39.40 2yue n TYR 151 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2yue n GLY 152 N 0.08 3.86 2.37 2.98 0.00 -1.26 -4.38 105.19 108.84 2yue n GLY 152 Ca -0.11 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 2yue n GLY 152 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yue n ASN 153 N 0.00 6.42 -3.62 1.61 4.13 -1.25 -3.86 115.26 118.70 2yue n ASN 153 Ca 0.00 -3.00 -0.12 0.00 1.68 0.00 0.00 54.58 53.14 2yue n ASN 153 Cb 0.00 -1.30 -0.07 0.00 -1.54 0.00 0.00 39.78 36.87 2yue n ASN 153 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yue n THR 155 N 2.05 0.02 -3.93 0.00 -2.24 -1.16 -4.48 114.28 104.55 2yue n THR 155 Ca -0.13 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2yue n THR 155 Cb 0.56 -0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 67.71 2yue n THR 155 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yue s GLY 156 N -3.13 0.10 -0.07 3.38 0.00 -1.20 -2.26 107.32 104.14 2yue s GLY 156 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.53 2yue s GLY 156 CO 0.01 -0.21 -0.07 -0.26 0.00 0.00 0.00 173.10 172.57 2yue s ILE 157 N -0.43 0.79 -0.14 0.90 -4.36 0.86 -2.24 121.20 116.58 2yue s ILE 157 Ca -0.04 -0.23 0.01 0.00 -0.26 0.00 0.00 60.65 60.12 2yue s ILE 157 Cb -0.03 -0.79 0.02 0.00 1.25 0.00 0.00 42.46 42.91 2yue s ILE 157 CO -0.00 0.29 -0.16 -0.70 0.24 0.00 0.00 174.94 174.61 2yue s GLU 158 N 1.10 2.40 0.30 0.37 2.12 -0.47 -0.26 118.70 124.26 2yue s GLU 158 Ca -0.07 -0.61 -0.28 0.00 0.36 0.00 0.00 54.97 54.36 2yue s GLU 158 Cb -0.14 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.05 2yue s GLU 158 CO -0.01 -0.15 1.02 -0.06 -0.54 0.00 0.00 175.26 175.51 2yue s PHE 159 N 1.24 3.66 0.35 5.30 0.08 -1.25 -0.09 117.98 127.27 2yue s PHE 159 Ca -0.00 1.77 0.08 0.00 0.12 0.00 0.00 56.93 58.90 2yue s PHE 159 Cb -0.14 -3.10 -0.05 0.00 -0.57 0.00 0.00 43.02 39.16 2yue s PHE 159 CO -0.07 -0.13 0.12 -0.51 -0.10 0.00 0.00 175.22 174.52 2yue s LEU 160 N -1.69 3.16 -0.43 -0.37 1.43 -0.72 -4.86 118.68 115.20 2yue s LEU 160 Ca 0.47 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 2yue s LEU 160 Cb -0.26 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.39 2yue s LEU 160 CO 0.33 -0.32 0.53 -1.81 0.23 0.00 0.00 176.35 175.30 2yue s ASP 161 N -3.82 6.25 0.57 2.29 1.11 -1.26 -4.33 116.67 117.47 2yue s ASP 161 Ca 0.38 -0.53 0.28 0.00 0.18 0.00 0.00 52.55 52.85 2yue s ASP 161 Cb -0.01 -2.27 1.53 0.00 1.07 0.00 0.00 42.92 43.25 2yue s ASP 161 CO 0.22 -0.67 2.02 0.77 1.18 0.00 0.00 175.17 178.69 2yue h SER 162 N 8.80 0.00 0.33 0.27 4.64 -1.92 0.22 113.55 125.88 2yue h SER 162 Ca -0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 2yue h SER 162 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2yue h SER 162 CO 0.84 0.00 -0.15 0.03 -0.87 0.00 0.00 176.83 176.68 2yue h ARG 163 N 0.00 0.00 0.15 4.77 3.08 -1.91 0.23 114.38 120.69 2yue h ARG 163 Ca 0.16 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.91 2yue h ARG 163 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2yue h ARG 163 CO -0.00 0.15 -1.45 0.82 -1.07 0.00 0.00 179.97 178.42 2yue h ILE 164 N 0.00 1.26 0.00 2.04 2.04 -0.97 -3.42 117.51 118.46 2yue h ILE 164 Ca -0.00 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.01 2yue h ILE 164 Cb 0.36 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2yue h ILE 164 CO 0.02 0.84 0.00 -1.22 0.00 0.00 0.00 178.15 177.79 2yue n TYR 165 N -3.52 0.00 -0.27 1.37 4.02 -1.00 -4.99 117.16 112.77 2yue n TYR 165 Ca -0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.45 2yue n TYR 165 Cb 1.05 -0.13 0.29 0.00 -0.02 0.00 0.00 39.34 40.53 2yue n TYR 165 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2yue n MET 166 N -1.57 -4.47 0.00 -0.72 2.81 0.76 -4.99 117.12 108.95 2yue n MET 166 Ca 0.00 -1.32 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 2yue n MET 166 Cb 0.00 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 30.58 2yue n MET 166 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 2yue n TYR 167 N -5.68 -0.37 1.86 2.03 4.11 -1.26 -4.65 117.16 113.20 2yue n TYR 167 Ca 0.12 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.17 2yue n TYR 167 Cb 0.58 0.08 0.88 0.00 -0.00 0.00 0.00 39.34 40.89 2yue n TYR 167 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80