#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yll s LEU 4 N 0.00 0.36 0.05 -1.84 1.98 -1.26 0.04 118.68 118.02 1yll s LEU 4 Ca 0.00 0.01 -0.01 0.00 -2.89 0.00 0.00 54.13 51.24 1yll s LEU 4 Cb 0.00 -0.26 -0.04 0.00 0.66 0.00 0.00 46.19 46.55 1yll s LEU 4 CO 0.00 -0.22 -0.03 -0.13 -1.89 0.00 0.00 176.35 174.08 1yll s ARG 5 N 2.04 0.62 -0.26 1.98 0.52 -0.02 -5.01 118.95 118.84 1yll s ARG 5 Ca 0.04 -1.22 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1yll s ARG 5 Cb -0.12 0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.56 1yll s ARG 5 CO -0.04 -0.10 -0.07 0.42 0.02 0.00 0.00 175.30 175.53 1yll s ILE 6 N -3.87 2.68 0.08 1.52 1.01 -1.26 -0.47 121.20 120.88 1yll s ILE 6 Ca 0.07 -1.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.18 1yll s ILE 6 Cb 0.08 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1yll s ILE 6 CO -0.10 0.09 0.94 -0.76 0.00 0.00 0.00 174.94 175.11 1yll s LEU 7 N 1.25 4.47 -0.15 2.97 1.43 0.11 -4.92 118.68 123.84 1yll s LEU 7 Ca -0.03 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 1yll s LEU 7 Cb -0.18 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1yll s LEU 7 CO -0.04 -0.09 0.06 -0.13 0.23 0.00 0.00 176.35 176.38 1yll s ARG 8 N 0.18 3.69 0.53 1.70 1.81 -1.26 -1.11 118.95 124.49 1yll s ARG 8 Ca 0.47 -0.32 0.25 0.00 -1.72 0.00 0.00 55.73 54.40 1yll s ARG 8 Cb -0.22 -3.12 1.40 0.00 -0.45 0.00 0.00 34.95 32.55 1yll s ARG 8 CO 0.28 0.44 2.00 0.00 -0.68 0.00 0.00 175.30 177.34 1yll h ALA 9 N 6.11 2.50 0.00 2.13 0.00 -1.88 0.71 119.26 128.83 1yll h ALA 9 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1yll h ALA 9 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1yll h ALA 9 CO 0.65 -0.65 0.00 -0.24 0.00 0.00 0.00 179.25 179.01 1yll h VAL 10 N 0.00 0.00 -0.11 0.00 3.04 -1.94 -1.81 116.25 115.43 1yll h VAL 10 Ca 0.25 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1yll h VAL 10 Cb 1.00 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1yll h VAL 10 CO -0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1yll n ASP 11 N -2.93 2.88 -4.74 3.17 8.00 0.24 -4.96 116.55 118.21 1yll n ASP 11 Ca -0.02 -1.93 -0.41 0.00 0.71 0.00 0.00 54.79 53.14 1yll n ASP 11 Cb 0.13 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 1yll n ASP 11 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1yll s TYR 12 N -1.89 3.58 0.63 1.24 4.12 -0.68 -5.04 117.35 119.32 1yll s TYR 12 Ca 0.32 1.62 -0.10 0.00 0.02 0.00 0.00 57.07 58.93 1yll s TYR 12 Cb 0.21 -3.29 -0.01 0.00 -1.52 0.00 0.00 41.96 37.35 1yll s TYR 12 CO 0.31 -0.63 1.01 -1.25 0.02 0.00 0.00 175.55 175.01 1yll s PRO 13 N -0.70 3.23 0.28 -1.71 0.04 -1.26 -4.93 135.00 129.95 1yll s PRO 13 Ca 0.48 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1yll s PRO 13 Cb -0.30 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1yll s PRO 13 CO 0.37 -0.71 0.12 -2.13 0.04 0.00 0.00 177.00 174.68 1yll n ARG 14 N -2.77 0.61 -4.18 4.56 0.63 -1.26 -2.90 116.66 111.36 1yll n ARG 14 Ca 0.05 -2.41 -0.17 0.00 -0.92 0.00 0.00 57.85 54.40 1yll n ARG 14 Cb 0.56 1.43 -0.12 0.00 0.45 0.00 0.00 32.46 34.78 1yll n ARG 14 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1yll s PRO 16 N -3.07 0.84 0.44 -0.14 0.04 -1.26 -4.95 135.00 126.90 1yll s PRO 16 Ca 0.17 -1.03 -0.21 0.00 0.04 0.00 0.00 61.00 59.97 1yll s PRO 16 Cb 0.01 -0.77 -0.10 0.00 0.04 0.00 0.00 34.50 33.68 1yll s PRO 16 CO 0.12 0.16 0.98 -1.58 0.04 0.00 0.00 177.00 176.72 1yll s TRP 17 N -1.60 3.23 0.28 0.56 0.51 0.10 -4.87 118.94 117.15 1yll s TRP 17 Ca 0.01 1.61 0.00 0.00 -2.12 0.00 0.00 56.10 55.60 1yll s TRP 17 Cb -0.08 -2.94 0.50 0.00 -0.81 0.00 0.00 33.47 30.14 1yll s TRP 17 CO 0.02 -0.35 1.87 -0.22 -0.51 0.00 0.00 176.95 177.75 1yll h LYS 18 N 1.90 1.04 -0.14 4.98 1.63 -2.03 -1.82 116.57 122.12 1yll h LYS 18 Ca -0.49 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 1yll h LYS 18 Cb 1.20 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1yll h LYS 18 CO 0.61 0.69 0.00 0.27 -3.45 0.00 0.00 179.45 177.56 1yll n ASN 19 N -4.55 0.80 0.00 4.20 2.04 -1.26 -4.91 115.26 111.58 1yll n ASN 19 Ca 0.17 -1.91 0.00 0.00 -0.44 0.00 0.00 54.58 52.40 1yll n ASN 19 Cb 0.27 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.43 1yll n ASN 19 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1yll n GLY 20 N 0.78 0.08 0.02 4.83 0.00 -0.69 -4.84 105.19 105.38 1yll n GLY 20 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1yll n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yll n ALA 21 N 1.00 2.80 -3.00 4.61 0.00 -1.26 -4.84 120.51 119.82 1yll n ALA 21 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1yll n ALA 21 Cb 0.38 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1yll n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yll n GLY 22 N 1.45 0.53 3.38 0.00 0.00 -1.26 -0.48 105.19 108.82 1yll n GLY 22 Ca 0.08 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 1yll n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yll s SER 23 N -0.22 -0.42 -0.03 1.61 1.04 -0.17 -0.72 113.70 114.79 1yll s SER 23 Ca 0.00 0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.73 1yll s SER 23 Cb 0.00 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 1yll s SER 23 CO 0.00 -0.65 -0.25 -0.89 0.98 0.00 0.00 173.24 172.43 1yll s THR 24 N -2.05 2.00 -0.33 2.02 2.01 -1.26 -0.69 115.64 117.34 1yll s THR 24 Ca -0.08 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 60.80 1yll s THR 24 Cb -0.01 -1.67 0.04 0.00 0.01 0.00 0.00 72.50 70.87 1yll s THR 24 CO 0.01 0.56 0.08 -1.61 -0.69 0.00 0.00 174.62 172.97 1yll s GLU 25 N -0.42 2.61 -0.03 4.92 2.02 0.13 -4.19 118.70 123.74 1yll s GLU 25 Ca 0.05 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 1yll s GLU 25 Cb -0.11 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1yll s GLU 25 CO 0.01 -0.64 0.99 -2.00 0.02 0.00 0.00 175.26 173.64 1yll s GLU 26 N 1.38 4.52 -0.18 1.61 2.12 -1.14 -1.08 118.70 125.93 1yll s GLU 26 Ca -0.02 1.42 -0.21 0.00 0.36 0.00 0.00 54.97 56.52 1yll s GLU 26 Cb -0.19 -3.48 -0.21 0.00 0.26 0.00 0.00 34.13 30.50 1yll s GLU 26 CO 0.02 -0.12 0.34 0.82 -0.54 0.00 0.00 175.26 175.78 1yll h ILE 27 N 4.87 1.05 -2.59 -3.70 2.04 -1.15 -3.36 117.51 114.68 1yll h ILE 27 Ca -0.38 -2.24 0.07 0.00 1.00 0.00 0.00 64.86 63.31 1yll h ILE 27 Cb 1.20 2.47 -0.13 0.00 -0.74 0.00 0.00 36.82 39.62 1yll h ILE 27 CO 0.78 0.43 0.38 0.00 0.00 0.00 0.00 178.15 179.73 1yll s ALA 28 N -2.36 -1.69 0.03 1.87 0.00 -1.09 -5.00 121.76 113.51 1yll s ALA 28 Ca -0.26 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1yll s ALA 28 Cb 0.04 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1yll s ALA 28 CO 0.63 -0.77 0.30 -0.98 0.00 0.00 0.00 175.76 174.94 1yll s ARG 29 N -3.41 0.77 -0.05 0.00 1.70 -1.26 -0.76 118.95 115.94 1yll s ARG 29 Ca 0.05 -0.45 -0.25 0.00 -0.47 0.00 0.00 55.73 54.61 1yll s ARG 29 Cb -0.01 0.33 -0.22 0.00 -0.57 0.00 0.00 34.95 34.48 1yll s ARG 29 CO -0.08 -0.24 1.10 0.38 -1.08 0.00 0.00 175.30 175.38 1yll h ASP 30 N 3.38 0.14 -0.44 -2.89 -0.00 -1.79 -3.49 116.42 111.31 1yll h ASP 30 Ca -0.31 -0.69 0.00 0.00 -0.00 0.00 0.00 57.03 56.03 1yll h ASP 30 Cb 1.19 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.48 1yll h ASP 30 CO 0.45 0.80 0.00 0.61 -0.00 0.00 0.00 179.24 181.10 1yll n GLY 37 N 0.78 0.00 3.76 7.15 0.00 -1.26 -4.98 105.19 110.64 1yll n GLY 37 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1yll n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yll s PHE 38 N 0.00 2.58 -0.05 1.61 -0.12 -1.26 -4.97 117.98 115.76 1yll s PHE 38 Ca 0.00 1.42 -0.02 0.00 -0.05 0.00 0.00 56.93 58.28 1yll s PHE 38 Cb 0.00 -3.07 -0.27 0.00 -0.63 0.00 0.00 43.02 39.06 1yll s PHE 38 CO 0.00 -1.91 0.63 0.78 -0.05 0.00 0.00 175.22 174.67 1yll h GLY 39 N -1.20 0.25 -3.62 1.99 0.00 -1.93 -3.43 103.07 95.12 1yll h GLY 39 Ca -0.46 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.18 1yll h GLY 39 CO 0.54 0.56 0.17 0.66 0.00 0.00 0.00 176.54 178.47 1yll s TRP 40 N -2.59 -0.58 -0.09 5.60 1.48 -1.26 -0.89 118.94 120.61 1yll s TRP 40 Ca -0.13 0.76 -0.07 0.00 -1.06 0.00 0.00 56.10 55.60 1yll s TRP 40 Cb 0.07 0.45 0.03 0.00 -1.16 0.00 0.00 33.47 32.85 1yll s TRP 40 CO 0.82 -0.69 0.23 0.50 -4.06 0.00 0.00 176.95 173.74 1yll s ARG 41 N -2.23 0.24 -0.07 3.25 3.52 -0.07 -2.00 118.95 121.59 1yll s ARG 41 Ca -0.06 0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.96 1yll s ARG 41 Cb -0.00 0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1yll s ARG 41 CO 0.01 -0.07 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.04 1yll s LEU 42 N 0.49 2.29 0.21 -0.88 0.20 0.06 -1.25 118.68 119.80 1yll s LEU 42 Ca -0.03 -0.42 -0.13 0.00 0.69 0.00 0.00 54.13 54.23 1yll s LEU 42 Cb -0.04 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.28 1yll s LEU 42 CO -0.03 0.25 0.45 -0.94 -0.29 0.00 0.00 176.35 175.80 1yll s SER 43 N -0.19 -0.11 -0.03 3.68 1.04 -0.20 -0.51 113.70 117.37 1yll s SER 43 Ca -0.02 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.70 1yll s SER 43 Cb -0.13 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 1yll s SER 43 CO 0.03 -1.06 -0.24 -0.63 0.98 0.00 0.00 173.24 172.33 1yll s ILE 44 N -3.96 1.89 0.07 -1.02 1.01 -0.24 -0.34 121.20 118.62 1yll s ILE 44 Ca 0.17 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.86 1yll s ILE 44 Cb 0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1yll s ILE 44 CO 0.03 0.53 -0.13 0.00 0.00 0.00 0.00 174.94 175.38 1yll s ALA 45 N -0.37 1.10 -0.16 9.38 0.00 -0.56 0.18 121.76 131.33 1yll s ALA 45 Ca 0.04 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 1yll s ALA 45 Cb -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1yll s ALA 45 CO 0.01 0.12 -0.01 -0.51 0.00 0.00 0.00 175.76 175.38 1yll s ASP 46 N -1.80 5.07 -0.20 0.00 1.01 0.13 -0.58 116.67 120.31 1yll s ASP 46 Ca -0.02 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.20 1yll s ASP 46 Cb -0.09 -1.82 0.04 0.00 1.01 0.00 0.00 42.92 42.06 1yll s ASP 46 CO 0.02 0.18 -0.10 -0.69 0.21 0.00 0.00 175.17 174.79 1yll s VAL 47 N 0.28 1.63 -0.41 -1.27 1.01 -0.03 -1.00 120.40 120.61 1yll s VAL 47 Ca -0.01 -0.99 0.14 0.00 0.00 0.00 0.00 61.98 61.12 1yll s VAL 47 Cb -0.13 -1.70 -0.18 0.00 0.00 0.00 0.00 36.38 34.36 1yll s VAL 47 CO 0.02 0.18 0.49 0.61 0.00 0.00 0.00 175.10 176.40 1yll n GLY 48 N 4.69 -0.47 2.97 4.51 0.00 0.37 -1.29 105.19 115.97 1yll n GLY 48 Ca -0.15 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1yll n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yll s GLU 49 N -2.61 0.29 0.58 1.61 2.02 -0.95 -4.62 118.70 115.03 1yll s GLU 49 Ca 0.01 -0.51 -0.18 0.00 0.02 0.00 0.00 54.97 54.31 1yll s GLU 49 Cb 0.10 0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 1yll s GLU 49 CO 0.59 -0.02 1.13 -1.12 0.02 0.00 0.00 175.26 175.87 1yll s SER 50 N -1.17 5.47 0.00 -0.19 0.01 -1.26 -4.86 113.70 111.70 1yll s SER 50 Ca -0.12 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1yll s SER 50 Cb -0.08 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1yll s SER 50 CO -0.01 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.87 1yll n GLY 51 N 0.03 -0.57 3.89 3.44 0.00 -0.20 -4.99 105.19 106.79 1yll n GLY 51 Ca 0.12 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1yll n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yll s GLY 52 N 0.00 1.60 -0.14 -0.02 0.00 -1.26 -0.20 107.32 107.29 1yll s GLY 52 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.36 1yll s GLY 52 CO 0.00 -0.04 0.09 -1.36 0.00 0.00 0.00 173.10 171.79 1yll s PHE 53 N -3.05 3.40 0.57 1.90 2.99 -0.06 -4.87 117.98 118.86 1yll s PHE 53 Ca 0.53 0.32 -0.20 0.00 0.00 0.00 0.00 56.93 57.57 1yll s PHE 53 Cb -0.11 -1.99 -0.04 0.00 0.00 0.00 0.00 43.02 40.89 1yll s PHE 53 CO 0.50 0.47 1.28 0.45 -0.00 0.00 0.00 175.22 177.92 1yll s SER 54 N -0.41 5.24 0.33 1.36 0.15 -1.26 -4.62 113.70 114.48 1yll s SER 54 Ca 0.10 2.58 -0.18 0.00 0.70 0.00 0.00 55.95 59.15 1yll s SER 54 Cb -0.12 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.48 1yll s SER 54 CO 0.02 -1.58 0.80 -0.83 1.20 0.00 0.00 173.24 172.85 1yll s GLY 55 N -1.26 2.44 -0.61 9.45 0.00 -1.26 -5.00 107.32 111.09 1yll s GLY 55 Ca 0.74 0.19 0.05 0.00 0.00 0.00 0.00 44.72 45.71 1yll s GLY 55 CO 0.41 0.47 0.53 0.69 0.00 0.00 0.00 173.10 175.19 1yll n PHE 56 N -0.13 2.23 -1.61 1.90 3.01 -0.81 -5.05 117.46 116.99 1yll n PHE 56 Ca 0.03 -4.02 -0.51 0.00 1.01 0.00 0.00 57.45 53.96 1yll n PHE 56 Cb 0.53 -0.42 -0.06 0.00 -0.01 0.00 0.00 39.48 39.52 1yll n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yll n ALA 57 N 1.79 -0.49 -0.96 4.37 0.00 -1.24 -1.38 120.51 122.60 1yll n ALA 57 Ca 0.24 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1yll n ALA 57 Cb 0.41 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1yll n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yll n GLY 58 N 2.84 0.95 3.87 0.00 0.00 -1.26 -4.94 105.19 106.64 1yll n GLY 58 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1yll n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yll s TYR 59 N -3.81 3.31 -0.14 1.61 1.51 -0.48 -4.55 117.35 114.80 1yll s TYR 59 Ca 0.00 0.04 -0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1yll s TYR 59 Cb 0.00 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1yll s TYR 59 CO 0.00 0.52 0.11 -1.14 -1.11 0.00 0.00 175.55 173.92 1yll s GLN 60 N -3.21 3.62 0.10 -0.62 2.00 0.46 -0.14 119.66 121.86 1yll s GLN 60 Ca 0.33 -0.22 0.10 0.00 -2.00 0.00 0.00 55.36 53.57 1yll s GLN 60 Cb -0.10 -3.19 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 1yll s GLN 60 CO 0.26 0.59 -0.26 1.03 -0.50 0.00 0.00 175.29 176.41 1yll s ARG 61 N -0.50 1.48 -0.05 1.67 0.52 0.16 -0.88 118.95 121.35 1yll s ARG 61 Ca 0.11 -1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 54.06 1yll s ARG 61 Cb -0.12 -1.85 0.03 0.00 0.52 0.00 0.00 34.95 33.53 1yll s ARG 61 CO 0.02 0.45 0.03 0.42 0.02 0.00 0.00 175.30 176.24 1yll s ILE 62 N -0.99 0.10 0.08 1.52 1.01 -0.46 -1.37 121.20 121.08 1yll s ILE 62 Ca 0.12 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.14 1yll s ILE 62 Cb -0.10 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1yll s ILE 62 CO 0.05 0.21 -0.17 -0.51 0.00 0.00 0.00 174.94 174.51 1yll s ILE 63 N 2.02 2.87 -0.03 2.92 2.07 0.18 -1.16 121.20 130.06 1yll s ILE 63 Ca 0.04 -1.35 -0.01 0.00 -1.41 0.00 0.00 60.65 57.92 1yll s ILE 63 Cb -0.12 -2.28 0.02 0.00 0.13 0.00 0.00 42.46 40.21 1yll s ILE 63 CO -0.04 0.20 0.07 -0.44 -1.91 0.00 0.00 174.94 172.82 1yll s SER 64 N -1.86 -0.02 0.34 4.50 0.01 -0.14 -0.69 113.70 115.82 1yll s SER 64 Ca 0.17 0.14 -0.27 0.00 1.31 0.00 0.00 55.95 57.30 1yll s SER 64 Cb -0.11 0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 1yll s SER 64 CO 0.08 -0.10 1.08 -0.69 0.41 0.00 0.00 173.24 174.02 1yll s VAL 65 N 0.76 3.58 -0.18 3.43 1.01 -1.26 -0.31 120.40 127.43 1yll s VAL 65 Ca -0.06 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 1yll s VAL 65 Cb -0.08 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1yll s VAL 65 CO -0.03 0.20 -0.26 0.18 0.00 0.00 0.00 175.10 175.19 1yll n LEU 66 N 0.59 1.51 -3.92 3.92 4.32 0.13 -0.08 117.00 123.47 1yll n LEU 66 Ca 0.02 0.26 -0.12 0.00 -0.02 0.00 0.00 56.01 56.15 1yll n LEU 66 Cb 0.47 -0.61 -0.13 0.00 -1.62 0.00 0.00 43.42 41.53 1yll n LEU 66 CO 0.50 0.21 -0.37 -0.70 -1.22 0.00 0.00 177.39 175.81 1yll s GLU 67 N -2.45 0.16 0.00 3.23 2.12 -1.07 -4.74 118.70 115.95 1yll s GLU 67 Ca -0.27 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1yll s GLU 67 Cb 0.09 -0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1yll s GLU 67 CO 0.35 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 1yll n GLY 68 N 2.66 1.09 0.02 -1.50 0.00 -1.26 -1.34 105.19 104.86 1yll n GLY 68 Ca -0.15 -2.29 0.07 0.00 0.00 0.00 0.00 46.02 43.65 1yll n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yll n GLY 69 N -0.91 -0.99 0.00 -0.02 0.00 -1.26 -4.73 105.19 97.29 1yll n GLY 69 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1yll n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yll n GLY 70 N -0.17 -1.27 3.05 -0.02 0.00 -1.26 -4.54 105.19 100.98 1yll n GLY 70 Ca 0.03 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1yll n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yll s ARG 72 N 0.00 0.20 -0.13 1.61 3.52 0.52 -1.58 118.95 123.09 1yll s ARG 72 Ca 0.00 0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 56.06 1yll s ARG 72 Cb 0.00 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.26 1yll s ARG 72 CO 0.00 -0.15 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.80 1yll s LEU 73 N 1.13 3.32 -0.31 -0.88 1.43 -1.26 -0.42 118.68 121.69 1yll s LEU 73 Ca -0.08 -0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1yll s LEU 73 Cb -0.09 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1yll s LEU 73 CO -0.07 0.24 0.11 -0.60 0.23 0.00 0.00 176.35 176.26 1yll s ARG 74 N -0.06 3.09 -0.25 1.70 3.52 0.33 -0.34 118.95 126.95 1yll s ARG 74 Ca 0.02 -0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 54.72 1yll s ARG 74 Cb -0.13 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 1yll s ARG 74 CO 0.02 -0.48 -0.02 0.08 -0.81 0.00 0.00 175.30 174.10 1yll s VAL 75 N 1.52 3.30 -1.70 7.11 1.01 0.22 -1.50 120.40 130.37 1yll s VAL 75 Ca 0.03 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 1yll s VAL 75 Cb -0.17 -2.62 0.14 0.00 0.00 0.00 0.00 36.38 33.73 1yll s VAL 75 CO 0.04 0.25 0.62 0.47 0.00 0.00 0.00 175.10 176.48 1yll n ASP 76 N 4.76 -2.17 0.00 3.32 8.00 0.19 -0.50 116.55 130.15 1yll n ASP 76 Ca -0.17 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1yll n ASP 76 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 1yll n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yll n GLY 77 N -1.51 3.20 3.65 0.44 0.00 -1.26 -5.03 105.19 104.68 1yll n GLY 77 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1yll n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yll s ALA 78 N -2.25 3.56 -0.12 4.61 0.00 0.35 -5.04 121.76 122.87 1yll s ALA 78 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 1yll s ALA 78 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 1yll s ALA 78 CO 0.00 -0.59 0.77 -1.21 0.00 0.00 0.00 175.76 174.74 1yll s GLU 79 N 1.98 4.36 0.88 0.00 2.02 -1.26 -0.61 118.70 126.07 1yll s GLU 79 Ca 0.27 0.96 -0.12 0.00 0.02 0.00 0.00 54.97 56.10 1yll s GLU 79 Cb -0.16 -3.52 0.12 0.00 0.10 0.00 0.00 34.13 30.67 1yll s GLU 79 CO 0.10 -0.15 1.12 -1.54 0.02 0.00 0.00 175.26 174.81 1yll s SER 80 N 1.01 3.77 0.83 -0.19 1.04 0.54 -5.00 113.70 115.70 1yll s SER 80 Ca 0.38 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 57.81 1yll s SER 80 Cb -0.17 -1.75 0.09 0.00 0.10 0.00 0.00 66.02 64.29 1yll s SER 80 CO 0.16 -2.41 1.12 0.00 0.98 0.00 0.00 173.24 173.09 1yll s ALA 81 N -3.20 2.17 0.23 5.32 0.00 -1.26 -4.69 121.76 120.33 1yll s ALA 81 Ca 0.63 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 1yll s ALA 81 Cb -0.15 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 19.81 1yll s ALA 81 CO 0.54 -1.88 1.54 -2.14 0.00 0.00 0.00 175.76 173.82 1yll s PRO 82 N -5.26 4.20 -0.29 0.00 0.02 -1.26 -4.68 135.00 127.73 1yll s PRO 82 Ca 0.62 2.41 -0.10 0.00 0.02 0.00 0.00 61.00 63.95 1yll s PRO 82 Cb -0.14 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 1yll s PRO 82 CO 0.53 -0.56 0.15 -0.51 -0.33 0.00 0.00 177.00 176.29 1yll s LEU 83 N 0.17 3.96 0.00 -5.54 1.43 -1.26 -5.03 118.68 112.41 1yll s LEU 83 Ca 0.65 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1yll s LEU 83 Cb -0.45 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 43.77 1yll s LEU 83 CO 0.40 -0.12 0.16 0.54 0.23 0.00 0.00 176.35 177.56 1yll n ARG 84 N 5.00 1.16 -1.57 1.70 1.74 -1.26 -4.29 116.66 119.13 1yll n ARG 84 Ca -0.14 -1.64 -0.52 0.00 -0.77 0.00 0.00 57.85 54.78 1yll n ARG 84 Cb 0.50 0.22 -0.06 0.00 -1.02 0.00 0.00 32.46 32.10 1yll n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yll n ALA 85 N -2.43 -1.35 -2.26 7.54 0.00 -1.26 -2.41 120.51 118.34 1yll n ALA 85 Ca -0.08 0.52 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1yll n ALA 85 Cb 0.30 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1yll n ALA 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yll n ARG 86 N 2.22 -1.66 -3.59 0.00 1.74 0.89 -4.92 116.66 111.33 1yll n ARG 86 Ca 0.18 1.03 -0.40 0.00 -0.77 0.00 0.00 57.85 57.89 1yll n ARG 86 Cb 0.19 -5.65 -0.07 0.00 -1.02 0.00 0.00 32.46 25.90 1yll n ARG 86 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1yll s GLN 87 N -4.81 2.85 0.48 5.56 -0.21 -1.01 -4.90 119.66 117.61 1yll s GLN 87 Ca 0.00 -2.41 -0.24 0.00 0.02 0.00 0.00 55.36 52.73 1yll s GLN 87 Cb 0.00 -3.95 -0.07 0.00 1.00 0.00 0.00 33.01 29.99 1yll s GLN 87 CO 0.00 -1.21 1.30 0.00 -2.12 0.00 0.00 175.29 173.26 1yll s ALA 88 N 0.19 3.02 -0.02 6.09 0.00 -1.26 -4.53 121.76 125.25 1yll s ALA 88 Ca 0.16 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 1yll s ALA 88 Cb -0.18 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1yll s ALA 88 CO -0.05 -1.01 0.03 0.12 0.00 0.00 0.00 175.76 174.85 1yll s PHE 89 N -1.35 0.05 -0.03 0.00 5.36 0.13 -4.96 117.98 117.18 1yll s PHE 89 Ca 0.64 0.15 -0.01 0.00 -0.96 0.00 0.00 56.93 56.75 1yll s PHE 89 Cb -0.37 -0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 1yll s PHE 89 CO 0.45 -0.11 0.07 0.00 -1.46 0.00 0.00 175.22 174.17 1yll s ALA 90 N 1.30 3.55 0.14 11.12 0.00 -1.26 -0.65 121.76 135.96 1yll s ALA 90 Ca -0.06 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 1yll s ALA 90 Cb -0.13 -1.60 0.07 0.00 0.00 0.00 0.00 23.12 21.46 1yll s ALA 90 CO -0.03 0.66 0.59 -0.59 0.00 0.00 0.00 175.76 176.39 1yll s PHE 91 N -1.11 -0.52 0.27 0.00 -0.12 -0.47 -5.00 117.98 111.02 1yll s PHE 91 Ca 0.20 0.35 -0.27 0.00 -0.05 0.00 0.00 56.93 57.17 1yll s PHE 91 Cb -0.12 0.52 -0.09 0.00 -0.63 0.00 0.00 43.02 42.70 1yll s PHE 91 CO 0.10 -0.81 0.90 0.45 -0.05 0.00 0.00 175.22 175.81 1yll s SER 92 N -2.62 7.43 0.00 1.98 0.15 -1.26 -0.66 113.70 118.71 1yll s SER 92 Ca 0.00 1.81 0.19 0.00 0.70 0.00 0.00 55.95 58.66 1yll s SER 92 Cb -0.01 -2.56 0.93 0.00 -1.71 0.00 0.00 66.02 62.67 1yll s SER 92 CO -0.11 0.05 1.60 0.61 1.20 0.00 0.00 173.24 176.60 1yll n GLY 93 N 1.02 -0.99 0.11 9.45 0.00 0.80 -1.84 105.19 113.74 1yll n GLY 93 Ca -0.01 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1yll n GLY 93 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yll h ASP 94 N 0.00 0.00 -4.19 1.61 3.32 -1.77 -2.15 116.42 113.24 1yll h ASP 94 Ca 0.00 -0.07 -0.49 0.00 0.02 0.00 0.00 57.03 56.49 1yll h ASP 94 Cb 0.22 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.84 1yll h ASP 94 CO 0.00 0.03 0.38 -0.44 -1.72 0.00 0.00 179.24 177.49 1yll s SER 95 N -5.10 5.80 -0.15 6.45 0.01 -0.77 -5.01 113.70 114.94 1yll s SER 95 Ca 0.03 1.82 -0.24 0.00 1.31 0.00 0.00 55.95 58.87 1yll s SER 95 Cb 0.10 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1yll s SER 95 CO 0.75 -1.15 0.75 -1.61 0.41 0.00 0.00 173.24 172.39 1yll s GLU 96 N -4.04 4.31 -0.04 12.44 2.02 -1.26 -4.91 118.70 127.22 1yll s GLU 96 Ca 0.64 0.88 0.01 0.00 0.02 0.00 0.00 54.97 56.53 1yll s GLU 96 Cb -0.16 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.54 1yll s GLU 96 CO 0.36 -0.21 -0.06 0.08 0.02 0.00 0.00 175.26 175.45 1yll s VAL 97 N 1.76 0.66 -0.08 2.63 1.01 -1.26 -0.63 120.40 124.49 1yll s VAL 97 Ca 0.36 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1yll s VAL 97 Cb -0.17 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1yll s VAL 97 CO 0.13 0.24 -0.23 -2.28 0.00 0.00 0.00 175.10 172.96 1yll s HIS 98 N 0.73 2.38 -0.20 5.22 5.04 -0.56 -0.88 115.29 127.02 1yll s HIS 98 Ca -0.11 -0.85 -0.06 0.00 -1.54 0.00 0.00 55.06 52.50 1yll s HIS 98 Cb -0.14 -1.59 -0.03 0.00 0.04 0.00 0.00 32.58 30.87 1yll s HIS 98 CO 0.01 -0.31 0.04 0.00 -2.34 0.00 0.00 174.74 172.14 1yll s THR 100 N 0.85 3.53 0.08 0.00 2.01 0.44 -1.03 115.64 121.52 1yll s THR 100 Ca 0.02 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1yll s THR 100 Cb -0.14 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.72 1yll s THR 100 CO 0.02 0.43 1.16 -0.76 -0.69 0.00 0.00 174.62 174.78 1yll s LEU 101 N 1.29 4.39 0.13 4.42 1.43 -1.26 -0.36 118.68 128.73 1yll s LEU 101 Ca 0.04 2.00 -0.06 0.00 -1.03 0.00 0.00 54.13 55.07 1yll s LEU 101 Cb -0.14 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 1yll s LEU 101 CO -0.01 -0.40 1.33 -0.07 0.23 0.00 0.00 176.35 177.43 1yll h LEU 102 N 6.48 0.62 -5.00 1.79 3.38 -1.57 -3.43 115.31 117.59 1yll h LEU 102 Ca -0.42 -0.46 -0.16 0.00 0.09 0.00 0.00 57.88 56.94 1yll h LEU 102 Cb 1.21 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 1yll h LEU 102 CO 0.79 1.24 -0.37 -0.67 0.09 0.00 0.00 178.44 179.52 1yll n ASP 103 N -3.82 -2.57 0.00 -0.43 2.03 -1.26 -5.02 116.55 105.49 1yll n ASP 103 Ca -0.07 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1yll n ASP 103 Cb 0.79 1.51 0.00 0.00 -0.72 0.00 0.00 41.12 42.69 1yll n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yll n GLY 104 N 1.92 -0.44 3.68 0.27 0.00 -1.26 -4.04 105.19 105.33 1yll n GLY 104 Ca 0.09 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 1yll n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yll n ALA 105 N -0.05 0.70 -2.19 4.61 0.00 -1.26 -4.63 120.51 117.68 1yll n ALA 105 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1yll n ALA 105 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 1yll n ALA 105 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1yll s ILE 106 N -1.50 0.09 -0.03 0.00 -4.36 -0.41 -4.34 121.20 110.65 1yll s ILE 106 Ca 0.80 -1.89 0.07 0.00 -0.26 0.00 0.00 60.65 59.37 1yll s ILE 106 Cb -0.38 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1yll s ILE 106 CO 0.43 -0.42 -0.24 -0.13 0.24 0.00 0.00 174.94 174.83 1yll s ARG 107 N -4.05 2.06 0.37 0.37 0.52 -0.45 -0.85 118.95 116.92 1yll s ARG 107 Ca 0.25 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1yll s ARG 107 Cb 0.07 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1yll s ARG 107 CO 0.03 0.48 0.10 0.16 0.02 0.00 0.00 175.30 176.09 1yll s ASP 108 N -0.46 2.47 -0.06 0.23 1.47 0.26 0.17 116.67 120.74 1yll s ASP 108 Ca 0.06 -1.55 0.02 0.00 1.18 0.00 0.00 52.55 52.26 1yll s ASP 108 Cb -0.10 0.29 0.02 0.00 -0.34 0.00 0.00 42.92 42.78 1yll s ASP 108 CO 0.00 -0.81 -0.09 0.12 0.68 0.00 0.00 175.17 175.07 1yll s PHE 109 N -3.30 1.24 -0.03 2.11 5.36 0.57 -1.50 117.98 122.43 1yll s PHE 109 Ca 0.29 -0.45 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 1yll s PHE 109 Cb 0.05 -0.96 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 1yll s PHE 109 CO 0.15 -0.28 -0.11 -0.80 -1.46 0.00 0.00 175.22 172.72 1yll s ASN 110 N 0.87 1.38 -0.10 6.13 0.01 0.54 -0.97 114.94 122.80 1yll s ASN 110 Ca -0.11 -0.22 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 1yll s ASN 110 Cb -0.15 -0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.16 1yll s ASN 110 CO 0.01 0.09 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.32 1yll s LEU 111 N 0.09 2.59 -0.07 0.60 0.20 -0.31 -1.03 118.68 120.75 1yll s LEU 111 Ca -0.02 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.48 1yll s LEU 111 Cb -0.08 -1.56 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 1yll s LEU 111 CO 0.01 0.21 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.53 1yll s ILE 112 N 0.08 1.12 0.06 6.68 1.01 -0.38 -1.36 121.20 128.40 1yll s ILE 112 Ca -0.07 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 1yll s ILE 112 Cb -0.15 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.31 1yll s ILE 112 CO 0.05 0.35 0.28 -0.72 0.00 0.00 0.00 174.94 174.90 1yll s TYR 113 N 0.72 -0.05 -0.54 3.97 -0.85 -0.06 -0.89 117.35 119.65 1yll s TYR 113 Ca -0.14 -0.17 -0.25 0.00 -0.52 0.00 0.00 57.07 56.00 1yll s TYR 113 Cb -0.16 0.07 0.04 0.00 0.38 0.00 0.00 41.96 42.29 1yll s TYR 113 CO 0.03 -0.52 0.97 0.00 -1.52 0.00 0.00 175.55 174.51 1yll s ALA 114 N -2.92 3.15 0.57 9.51 0.00 -0.07 -0.41 121.76 131.60 1yll s ALA 114 Ca -0.02 -1.09 0.25 0.00 0.00 0.00 0.00 51.96 51.10 1yll s ALA 114 Cb 0.00 -3.76 1.62 0.00 0.00 0.00 0.00 23.12 20.99 1yll s ALA 114 CO -0.06 -2.35 2.20 -1.00 0.00 0.00 0.00 175.76 174.55 1yll h PRO 115 N 9.29 0.00 -0.01 0.00 0.14 -1.80 -0.45 132.00 139.18 1yll h PRO 115 Ca -0.26 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.88 1yll h PRO 115 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.21 1yll h PRO 115 CO 1.09 0.00 -0.10 0.54 0.14 0.00 0.00 178.00 179.67 1yll n ARG 116 N -4.07 0.90 -0.00 0.86 1.74 -1.26 -4.03 116.66 110.79 1yll n ARG 116 Ca -0.02 -0.36 -0.00 0.00 -0.77 0.00 0.00 57.85 56.70 1yll n ARG 116 Cb 0.12 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1yll n ARG 116 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yll n ARG 117 N -0.74 2.14 -3.88 5.56 1.74 -0.33 -4.94 116.66 116.21 1yll n ARG 117 Ca 0.16 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.12 1yll n ARG 117 Cb 0.28 -1.03 -0.14 0.00 -1.02 0.00 0.00 32.46 30.55 1yll n ARG 117 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yll s HIS 118 N -2.06 0.01 0.31 -1.55 3.76 -0.33 -3.27 115.29 112.15 1yll s HIS 118 Ca -0.01 -0.01 -0.07 0.00 -0.15 0.00 0.00 55.06 54.82 1yll s HIS 118 Cb 0.01 -0.01 -0.06 0.00 1.11 0.00 0.00 32.58 33.62 1yll s HIS 118 CO 0.05 -0.03 0.61 1.03 -0.85 0.00 0.00 174.74 175.55 1yll s ARG 119 N -0.14 3.70 0.01 1.40 0.52 -0.35 -4.37 118.95 119.73 1yll s ARG 119 Ca -0.02 0.18 -0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1yll s ARG 119 Cb -0.01 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.88 1yll s ARG 119 CO -0.00 0.17 0.18 0.00 0.02 0.00 0.00 175.30 175.67 1yll s ALA 120 N -2.10 -0.40 -0.03 2.13 0.00 -1.26 -1.80 121.76 118.30 1yll s ALA 120 Ca 0.46 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 1yll s ALA 120 Cb -0.11 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1yll s ALA 120 CO 0.28 -0.26 0.12 0.50 0.00 0.00 0.00 175.76 176.41 1yll s ARG 121 N -1.70 0.25 -0.09 0.00 3.52 -0.02 -4.97 118.95 115.94 1yll s ARG 121 Ca -0.12 -0.02 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 1yll s ARG 121 Cb -0.05 0.11 0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1yll s ARG 121 CO 0.01 -0.05 0.21 -1.17 -0.81 0.00 0.00 175.30 173.49 1yll s LEU 122 N -0.41 0.34 -0.13 -0.88 0.20 -1.26 -0.82 118.68 115.73 1yll s LEU 122 Ca -0.05 0.45 -0.07 0.00 0.69 0.00 0.00 54.13 55.15 1yll s LEU 122 Cb -0.03 0.57 0.05 0.00 -0.43 0.00 0.00 46.19 46.35 1yll s LEU 122 CO 0.00 -0.18 0.32 -1.58 -0.29 0.00 0.00 176.35 174.62 1yll s GLN 123 N 1.51 0.28 0.17 1.98 0.74 -0.14 -4.98 119.66 119.23 1yll s GLN 123 Ca -0.06 0.65 -0.30 0.00 0.05 0.00 0.00 55.36 55.69 1yll s GLN 123 Cb -0.11 -0.08 -0.07 0.00 1.10 0.00 0.00 33.01 33.85 1yll s GLN 123 CO -0.07 -0.17 0.97 -1.58 -0.55 0.00 0.00 175.29 173.89 1yll s TRP 124 N 1.36 3.84 -0.01 1.67 0.52 -1.26 -1.07 118.94 123.99 1yll s TRP 124 Ca -0.09 1.82 0.01 0.00 0.02 0.00 0.00 56.10 57.85 1yll s TRP 124 Cb -0.10 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.17 1yll s TRP 124 CO -0.10 0.18 -0.01 -0.51 0.02 0.00 0.00 176.95 176.52 1yll s LEU 125 N -0.52 1.81 -0.34 2.99 1.43 -0.14 -4.97 118.68 118.94 1yll s LEU 125 Ca 0.45 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1yll s LEU 125 Cb -0.25 -0.12 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 1yll s LEU 125 CO 0.32 -0.00 0.22 -0.60 0.23 0.00 0.00 176.35 176.51 1yll s ARG 126 N 0.19 3.29 -0.43 1.70 3.52 -1.26 -0.74 118.95 125.23 1yll s ARG 126 Ca -0.02 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.52 1yll s ARG 126 Cb -0.04 -3.75 0.02 0.00 -1.56 0.00 0.00 34.95 29.63 1yll s ARG 126 CO -0.01 -0.51 1.18 0.08 -0.81 0.00 0.00 175.30 175.23 1yll s VAL 127 N 1.66 4.22 -0.41 7.11 1.01 0.07 -4.89 120.40 129.17 1yll s VAL 127 Ca 0.05 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.35 1yll s VAL 127 Cb -0.18 -4.49 0.11 0.00 0.00 0.00 0.00 36.38 31.83 1yll s VAL 127 CO 0.09 -0.84 0.14 -1.61 0.00 0.00 0.00 175.10 172.88 1yll s GLU 128 N 4.35 1.72 0.00 2.72 2.02 -1.26 -1.90 118.70 126.34 1yll s GLU 128 Ca 0.50 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 53.38 1yll s GLU 128 Cb -0.10 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1yll s GLU 128 CO 0.28 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1yll n GLY 129 N 3.94 2.27 3.42 -1.39 0.00 -1.21 -4.77 105.19 107.45 1yll n GLY 129 Ca 0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1yll n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yll s GLU 130 N 0.00 1.08 0.05 1.61 2.12 -1.26 -1.70 118.70 120.60 1yll s GLU 130 Ca 0.00 -0.19 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 1yll s GLU 130 Cb 0.00 0.50 0.05 0.00 0.26 0.00 0.00 34.13 34.93 1yll s GLU 130 CO 0.00 -0.39 0.48 -0.48 -0.54 0.00 0.00 175.26 174.32 1yll s LEU 131 N -1.96 0.12 0.17 2.70 0.05 -0.64 -5.00 118.68 114.12 1yll s LEU 131 Ca -0.05 0.09 -0.11 0.00 0.05 0.00 0.00 54.13 54.11 1yll s LEU 131 Cb -0.01 1.97 0.00 0.00 -2.05 0.00 0.00 46.19 46.11 1yll s LEU 131 CO -0.01 -0.70 0.35 1.51 -0.55 0.00 0.00 176.35 176.94 1yll s ASP 132 N -2.01 -0.04 0.18 1.48 -4.77 -1.26 -0.84 116.67 109.41 1yll s ASP 132 Ca -0.05 -0.74 -0.19 0.00 -3.30 0.00 0.00 52.55 48.27 1yll s ASP 132 Cb -0.01 0.47 0.04 0.00 -1.09 0.00 0.00 42.92 42.33 1yll s ASP 132 CO -0.02 -0.93 0.54 -1.66 0.70 0.00 0.00 175.17 173.80 1yll s TRP 133 N -3.93 -0.26 -0.05 2.11 -2.14 -0.56 -5.01 118.94 109.09 1yll s TRP 133 Ca 0.14 -0.05 0.04 0.00 2.66 0.00 0.00 56.10 58.90 1yll s TRP 133 Cb 0.02 0.45 -0.02 0.00 -3.10 0.00 0.00 33.47 30.82 1yll s TRP 133 CO -0.02 -0.89 -0.18 -1.01 -2.66 0.00 0.00 176.95 172.19 1yll s HIS 134 N -3.83 2.61 0.12 1.66 3.76 -1.26 -1.34 115.29 117.01 1yll s HIS 134 Ca 0.06 -0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 54.47 1yll s HIS 134 Cb -0.01 -1.62 0.04 0.00 1.11 0.00 0.00 32.58 32.10 1yll s HIS 134 CO -0.06 0.05 0.42 0.20 -0.85 0.00 0.00 174.74 174.49 1yll s GLY 135 N -0.52 -0.30 0.00 -2.22 0.00 -0.39 -4.93 107.32 98.96 1yll s GLY 135 Ca 0.07 0.03 0.12 0.00 0.00 0.00 0.00 44.72 44.94 1yll s GLY 135 CO 0.01 -0.24 0.94 2.41 0.00 0.00 0.00 173.10 176.23 1yll n THR 136 N -0.17 0.18 -1.66 0.90 -1.04 -1.26 -0.21 114.28 111.02 1yll n THR 136 Ca -0.16 -0.59 -0.43 0.00 -2.04 0.00 0.00 64.05 60.82 1yll n THR 136 Cb 0.63 1.11 -0.01 0.00 -1.82 0.00 0.00 70.33 70.25 1yll n THR 136 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yll n ALA 137 N 0.64 0.81 0.15 2.41 0.00 -1.26 -4.66 120.51 118.61 1yll n ALA 137 Ca 0.08 0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.92 1yll n ALA 137 Cb 0.32 -2.19 0.20 0.00 0.00 0.00 0.00 19.45 17.78 1yll n ALA 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yll h SER 138 N 2.58 0.00 -3.43 0.00 4.64 -1.71 -3.43 113.55 112.20 1yll h SER 138 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 1yll h SER 138 Cb 1.30 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.06 1yll h SER 138 CO 0.63 0.52 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.40 1yll s THR 139 N -3.40 1.25 -0.09 2.95 2.01 -0.51 -0.87 115.64 116.99 1yll s THR 139 Ca 0.01 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1yll s THR 139 Cb 0.11 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1yll s THR 139 CO 0.73 0.38 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.61 1yll s LEU 140 N 0.60 1.96 -0.24 4.42 2.96 0.11 -1.14 118.68 127.36 1yll s LEU 140 Ca -0.15 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1yll s LEU 140 Cb -0.16 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1yll s LEU 140 CO 0.04 0.12 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.35 1yll s LEU 141 N 0.45 3.01 -0.33 -0.68 1.43 0.23 -1.01 118.68 121.77 1yll s LEU 141 Ca -0.17 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1yll s LEU 141 Cb -0.17 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.49 1yll s LEU 141 CO 0.07 -0.10 0.04 -0.22 0.23 0.00 0.00 176.35 176.37 1yll s LEU 142 N 1.32 4.32 -0.14 1.79 1.98 -0.25 -0.98 118.68 126.72 1yll s LEU 142 Ca 0.01 -1.67 -0.17 0.00 -2.89 0.00 0.00 54.13 49.41 1yll s LEU 142 Cb -0.16 -1.69 -0.04 0.00 0.66 0.00 0.00 46.19 44.96 1yll s LEU 142 CO -0.06 -0.34 0.45 0.12 -1.89 0.00 0.00 176.35 174.63 1yll s PHE 143 N 1.12 3.47 -0.24 5.38 5.36 -0.51 -0.79 117.98 131.77 1yll s PHE 143 Ca 0.01 0.80 -0.12 0.00 -0.96 0.00 0.00 56.93 56.66 1yll s PHE 143 Cb -0.20 -2.53 -0.05 0.00 -0.34 0.00 0.00 43.02 39.90 1yll s PHE 143 CO -0.04 0.13 0.22 0.00 -1.46 0.00 0.00 175.22 174.07 1yll s ALA 144 N 0.80 3.59 0.04 11.12 0.00 -0.46 -0.68 121.76 136.17 1yll s ALA 144 Ca 0.24 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1yll s ALA 144 Cb -0.15 -2.43 -0.33 0.00 0.00 0.00 0.00 23.12 20.22 1yll s ALA 144 CO 0.09 -0.28 1.02 0.37 0.00 0.00 0.00 175.76 176.96 1yll h GLN 145 N 7.62 0.43 -6.14 0.00 4.15 -1.36 0.48 115.11 120.29 1yll h GLN 145 Ca -0.37 -0.73 -0.54 0.00 0.77 0.00 0.00 58.65 57.78 1yll h GLN 145 Cb 1.17 0.27 -0.07 0.00 0.21 0.00 0.00 27.48 29.06 1yll h GLN 145 CO 0.66 1.34 -0.54 -0.65 -1.93 0.00 0.00 178.83 177.71 1yll s GLN 146 N -2.62 2.46 0.79 1.69 1.11 -1.22 -3.82 119.66 118.05 1yll s GLN 146 Ca -0.08 -1.45 -0.10 0.00 0.01 0.00 0.00 55.36 53.74 1yll s GLN 146 Cb 0.05 -2.25 0.07 0.00 -1.01 0.00 0.00 33.01 29.87 1yll s GLN 146 CO 0.92 0.18 1.10 -0.51 0.01 0.00 0.00 175.29 176.98 1yll s ASP 147 N -3.83 4.31 0.00 5.90 -0.00 -1.26 -3.87 116.67 117.92 1yll s ASP 147 Ca 0.36 1.85 0.00 0.00 -0.00 0.00 0.00 52.55 54.77 1yll s ASP 147 Cb -0.04 -2.52 0.00 0.00 -0.00 0.00 0.00 42.92 40.36 1yll s ASP 147 CO 0.23 -2.16 0.00 0.61 -0.00 0.00 0.00 175.17 173.84 1yll n GLY 148 N -1.06 0.75 3.41 0.21 0.00 -0.82 -4.86 105.19 102.82 1yll n GLY 148 Ca 0.09 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1yll n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yll s VAL 149 N -2.52 4.12 0.02 1.61 1.01 -1.10 -4.25 120.40 119.29 1yll s VAL 149 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1yll s VAL 149 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1yll s VAL 149 CO 0.00 0.30 0.30 0.00 0.00 0.00 0.00 175.10 175.70 1yll s ALA 150 N 1.58 3.82 -0.05 5.51 0.00 0.22 -0.61 121.76 132.23 1yll s ALA 150 Ca 0.06 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1yll s ALA 150 Cb -0.15 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1yll s ALA 150 CO 0.02 0.63 -0.15 0.42 0.00 0.00 0.00 175.76 176.68 1yll s ILE 151 N -1.31 1.30 0.08 0.00 1.01 -0.57 -1.22 121.20 120.50 1yll s ILE 151 Ca 0.28 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.38 1yll s ILE 151 Cb -0.13 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1yll s ILE 151 CO 0.16 0.38 -0.21 -0.94 0.00 0.00 0.00 174.94 174.34 1yll s SER 152 N 0.22 2.48 -0.10 3.58 1.04 -0.10 -0.11 113.70 120.72 1yll s SER 152 Ca -0.07 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.74 1yll s SER 152 Cb -0.12 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.86 1yll s SER 152 CO 0.03 0.09 -0.12 -0.22 0.98 0.00 0.00 173.24 173.99 1yll s LEU 153 N -1.66 1.53 -1.43 2.42 2.96 -0.41 -1.60 118.68 120.49 1yll s LEU 153 Ca 0.06 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1yll s LEU 153 Cb -0.10 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1yll s LEU 153 CO 0.03 -0.02 1.02 0.00 -1.32 0.00 0.00 176.35 176.06 1yll n GLN 154 N 4.34 -6.79 -0.90 1.98 1.13 0.11 -1.25 117.38 116.00 1yll n GLN 154 Ca -0.18 0.79 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 1yll n GLN 154 Cb 0.51 -5.77 0.00 0.00 0.11 0.00 0.00 30.24 25.09 1yll n GLN 154 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yll n GLY 155 N -1.84 0.57 3.43 1.08 0.00 -1.26 -5.00 105.19 102.17 1yll n GLY 155 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1yll n GLY 155 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yll s GLN 156 N -0.41 3.62 0.30 1.61 0.74 -0.38 -5.06 119.66 120.08 1yll s GLN 156 Ca 0.00 -0.50 -0.30 0.00 0.05 0.00 0.00 55.36 54.62 1yll s GLN 156 Cb 0.00 -3.28 -0.12 0.00 1.10 0.00 0.00 33.01 30.71 1yll s GLN 156 CO 0.00 -0.18 1.43 -2.30 -0.55 0.00 0.00 175.29 173.69 1yll n PRO 157 N 4.88 2.30 0.00 1.67 -0.02 -1.26 -1.29 135.00 141.27 1yll n PRO 157 Ca -0.16 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1yll n PRO 157 Cb 0.51 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1yll n PRO 157 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1yll n ARG 158 N 1.49 0.66 0.00 -0.52 5.12 0.84 -4.88 116.66 119.37 1yll n ARG 158 Ca 0.08 -0.91 0.00 0.00 -1.93 0.00 0.00 57.85 55.09 1yll n ARG 158 Cb 0.35 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 1yll n ARG 158 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yll n GLY 159 N -0.21 0.76 2.97 -0.13 0.00 -1.23 -4.95 105.19 102.40 1yll n GLY 159 Ca 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1yll n GLY 159 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yll s GLN 160 N -0.85 0.31 -0.12 1.61 -2.07 -1.26 -1.51 119.66 115.76 1yll s GLN 160 Ca 0.00 -0.38 -0.04 0.00 -1.82 0.00 0.00 55.36 53.12 1yll s GLN 160 Cb 0.00 -0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 31.75 1yll s GLN 160 CO 0.00 0.03 0.02 -0.51 -1.32 0.00 0.00 175.29 173.50 1yll s LEU 161 N -0.79 3.63 0.52 2.60 1.02 0.22 -4.96 118.68 120.92 1yll s LEU 161 Ca -0.06 0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.22 1yll s LEU 161 Cb -0.05 -1.86 0.03 0.00 0.02 0.00 0.00 46.19 44.32 1yll s LEU 161 CO -0.00 0.30 0.73 0.00 0.02 0.00 0.00 176.35 177.40 1yll s ALA 162 N -0.41 4.03 0.08 4.21 0.00 -1.26 -1.95 121.76 126.46 1yll s ALA 162 Ca 0.08 -1.40 -0.36 0.00 0.00 0.00 0.00 51.96 50.28 1yll s ALA 162 Cb -0.12 -1.98 -0.15 0.00 0.00 0.00 0.00 23.12 20.87 1yll s ALA 162 CO 0.02 -0.65 1.49 0.00 0.00 0.00 0.00 175.76 176.62 1yll n ALA 163 N -2.24 0.11 -0.89 0.00 0.00 -1.25 -1.37 120.51 114.87 1yll n ALA 163 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1yll n ALA 163 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1yll n ALA 163 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yll n HIS 164 N 3.32 0.00 -1.69 0.00 8.25 0.17 -4.81 115.22 120.45 1yll n HIS 164 Ca 0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.35 1yll n HIS 164 Cb 0.23 -0.57 0.09 0.00 1.12 0.00 0.00 29.99 30.85 1yll n HIS 164 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1yll s ASP 165 N -2.41 4.57 -0.13 0.41 -0.00 -0.47 -4.32 116.67 114.32 1yll s ASP 165 Ca 0.00 1.13 -0.06 0.00 -0.00 0.00 0.00 52.55 53.61 1yll s ASP 165 Cb 0.00 -1.82 0.05 0.00 -0.00 0.00 0.00 42.92 41.16 1yll s ASP 165 CO 0.00 -1.90 0.30 0.00 -0.00 0.00 0.00 175.17 173.57 1yll s LEU 167 N 1.57 4.63 -0.18 0.00 0.20 0.03 0.05 118.68 124.97 1yll s LEU 167 Ca -0.07 1.97 -0.01 0.00 0.69 0.00 0.00 54.13 56.72 1yll s LEU 167 Cb -0.10 -3.61 0.05 0.00 -0.43 0.00 0.00 46.19 42.10 1yll s LEU 167 CO -0.10 0.11 -0.04 0.00 -0.29 0.00 0.00 176.35 176.03 1yll s ALA 169 N 1.63 2.32 0.15 0.00 0.00 -0.18 -0.84 121.76 124.84 1yll s ALA 169 Ca -0.01 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1yll s ALA 169 Cb -0.16 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1yll s ALA 169 CO -0.07 -0.28 -0.18 -1.21 0.00 0.00 0.00 175.76 174.02 1yll s GLU 170 N 1.19 1.21 -0.99 0.00 2.02 0.11 -0.72 118.70 121.52 1yll s GLU 170 Ca 0.02 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1yll s GLU 170 Cb -0.14 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.81 1yll s GLU 170 CO -0.10 0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1yll n GLY 171 N 0.47 0.34 3.77 -1.39 0.00 -0.58 -4.62 105.19 103.18 1yll n GLY 171 Ca -0.15 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1yll n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yll s LEU 172 N -2.87 4.41 -0.06 0.99 1.43 -0.05 -5.03 118.68 117.50 1yll s LEU 172 Ca 0.00 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.61 1yll s LEU 172 Cb 0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1yll s LEU 172 CO 0.00 -0.45 -0.17 -1.10 0.23 0.00 0.00 176.35 174.87 1yll s GLN 173 N -1.81 1.94 0.00 1.70 -1.52 -1.26 -4.22 119.66 114.49 1yll s GLN 173 Ca 0.50 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 53.32 1yll s GLN 173 Cb -0.35 -1.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.82 1yll s GLN 173 CO 0.46 0.17 0.00 0.41 -0.25 0.00 0.00 175.29 176.07 1yll n GLY 174 N 3.41 -0.52 3.72 3.09 0.00 -1.26 -4.87 105.19 108.75 1yll n GLY 174 Ca -0.20 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1yll n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yll s LEU 175 N -1.13 4.40 0.03 0.99 0.20 -1.26 -4.51 118.68 117.40 1yll s LEU 175 Ca 0.00 2.03 0.03 0.00 0.69 0.00 0.00 54.13 56.88 1yll s LEU 175 Cb 0.00 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.14 1yll s LEU 175 CO 0.00 -0.39 -0.03 -1.10 -0.29 0.00 0.00 176.35 174.54 1yll s GLN 176 N 0.62 2.60 -0.30 1.98 -1.52 0.71 -4.92 119.66 118.83 1yll s GLN 176 Ca 0.56 -0.73 -0.03 0.00 -1.95 0.00 0.00 55.36 53.20 1yll s GLN 176 Cb -0.29 -2.56 0.04 0.00 -0.22 0.00 0.00 33.01 29.99 1yll s GLN 176 CO 0.31 0.59 0.02 -1.58 -0.25 0.00 0.00 175.29 174.37 1yll s HIS 177 N -1.12 3.24 -0.15 0.91 5.65 -1.26 -1.26 115.29 121.30 1yll s HIS 177 Ca 0.20 -1.73 -0.05 0.00 0.25 0.00 0.00 55.06 53.73 1yll s HIS 177 Cb -0.11 -2.14 -0.04 0.00 -1.18 0.00 0.00 32.58 29.11 1yll s HIS 177 CO 0.12 -0.78 0.03 -1.58 -0.65 0.00 0.00 174.74 171.88 1yll s TRP 178 N 1.30 3.20 -0.06 3.88 0.52 -0.45 -0.71 118.94 126.62 1yll s TRP 178 Ca -0.04 0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.14 1yll s TRP 178 Cb -0.19 -1.98 0.02 0.00 -1.15 0.00 0.00 33.47 30.16 1yll s TRP 178 CO -0.00 0.21 -0.10 1.03 0.02 0.00 0.00 176.95 178.11 1yll s ARG 179 N 0.02 1.45 -0.03 4.98 0.52 -0.63 -1.50 118.95 123.76 1yll s ARG 179 Ca 0.04 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1yll s ARG 179 Cb -0.13 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.07 1yll s ARG 179 CO 0.01 -0.01 -0.15 -0.51 0.02 0.00 0.00 175.30 174.67 1yll s LEU 180 N 0.76 2.73 0.04 2.53 1.43 -0.02 -0.92 118.68 125.23 1yll s LEU 180 Ca -0.13 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1yll s LEU 180 Cb -0.15 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1yll s LEU 180 CO 0.02 0.32 -0.08 0.42 0.23 0.00 0.00 176.35 177.27 1yll s THR 181 N -0.79 0.56 -0.16 5.49 -4.23 -0.36 -1.61 115.64 114.54 1yll s THR 181 Ca 0.12 -0.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.55 1yll s THR 181 Cb -0.11 -0.60 0.05 0.00 1.34 0.00 0.00 72.50 73.18 1yll s THR 181 CO 0.02 -0.29 0.42 0.00 -0.54 0.00 0.00 174.62 174.22 1yll s ALA 182 N -1.18 -1.05 0.21 3.99 0.00 -0.69 -0.61 121.76 122.43 1yll s ALA 182 Ca -0.08 1.36 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 1yll s ALA 182 Cb -0.09 -0.81 0.18 0.00 0.00 0.00 0.00 23.12 22.40 1yll s ALA 182 CO 0.00 -0.23 1.60 0.45 0.00 0.00 0.00 175.76 177.58 1yll h HIS 183 N 6.27 0.80 -4.44 0.00 3.86 -1.85 -3.19 115.15 116.59 1yll h HIS 183 Ca -0.32 -0.21 -0.69 0.00 -1.16 0.00 0.00 60.37 57.99 1yll h HIS 183 Cb 1.18 -0.18 -0.28 0.00 1.06 0.00 0.00 27.41 29.19 1yll h HIS 183 CO 0.32 0.92 -0.88 -1.21 0.86 0.00 0.00 177.93 177.94 1yll s GLU 184 N -4.42 1.93 0.36 2.45 0.41 -1.26 -4.84 118.70 113.34 1yll s GLU 184 Ca -0.09 -1.02 -0.26 0.00 -0.41 0.00 0.00 54.97 53.20 1yll s GLU 184 Cb 0.13 -1.99 -0.13 0.00 -1.78 0.00 0.00 34.13 30.36 1yll s GLU 184 CO 0.83 0.53 0.92 -2.30 -0.49 0.00 0.00 175.26 174.75 1yll n PRO 185 N 2.09 1.19 -3.75 0.39 -0.02 -1.26 -4.86 135.00 128.78 1yll n PRO 185 Ca -0.16 0.42 -0.12 0.00 -2.02 0.00 0.00 63.50 61.61 1yll n PRO 185 Cb 0.52 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 1yll n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yll s ALA 186 N -1.21 -0.69 0.18 3.55 0.00 -0.80 -4.97 121.76 117.83 1yll s ALA 186 Ca 0.61 0.95 -0.28 0.00 0.00 0.00 0.00 51.96 53.24 1yll s ALA 186 Cb -0.63 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 21.83 1yll s ALA 186 CO 0.58 -0.17 0.88 -1.58 0.00 0.00 0.00 175.76 175.47 1yll s TRP 187 N 0.67 3.91 0.12 0.00 0.52 -1.26 -0.75 118.94 122.16 1yll s TRP 187 Ca -0.04 1.78 0.03 0.00 0.02 0.00 0.00 56.10 57.89 1yll s TRP 187 Cb -0.06 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.31 1yll s TRP 187 CO -0.04 0.42 -0.09 0.14 0.02 0.00 0.00 176.95 177.40 1yll s VAL 188 N -0.87 0.96 -0.16 4.03 -7.23 0.08 -0.92 120.40 116.28 1yll s VAL 188 Ca 0.40 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1yll s VAL 188 Cb -0.24 -1.75 0.02 0.00 0.56 0.00 0.00 36.38 34.97 1yll s VAL 188 CO 0.29 -0.79 -0.17 0.00 -0.31 0.00 0.00 175.10 174.12 1yll s ALA 190 N 1.39 3.52 -0.19 0.00 0.00 -0.24 -1.43 121.76 124.82 1yll s ALA 190 Ca 0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1yll s ALA 190 Cb -0.13 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1yll s ALA 190 CO -0.12 -0.90 -0.12 0.08 0.00 0.00 0.00 175.76 174.70 1yll s VAL 191 N 2.06 2.77 -0.08 0.00 1.01 -0.15 -0.96 120.40 125.04 1yll s VAL 191 Ca 0.13 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1yll s VAL 191 Cb -0.16 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1yll s VAL 191 CO 0.11 0.49 -0.20 -1.61 0.00 0.00 0.00 175.10 173.88 1yll s GLU 192 N 1.23 2.79 0.02 2.72 2.02 0.00 -0.60 118.70 126.88 1yll s GLU 192 Ca 0.03 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.24 1yll s GLU 192 Cb -0.14 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 1yll s GLU 192 CO -0.06 0.36 -0.11 -0.51 0.02 0.00 0.00 175.26 174.96 1yll s LEU 193 N -0.09 2.11 -0.02 1.80 1.43 -0.29 -0.84 118.68 122.77 1yll s LEU 193 Ca -0.05 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1yll s LEU 193 Cb -0.14 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.60 1yll s LEU 193 CO 0.04 0.05 0.03 1.51 0.23 0.00 0.00 176.35 178.21 1yll s ASP 194 N -0.74 0.21 -0.50 2.29 -4.77 -0.74 -1.42 116.67 111.00 1yll s ASP 194 Ca 0.01 0.03 -0.27 0.00 -3.30 0.00 0.00 52.55 49.02 1yll s ASP 194 Cb -0.06 -0.11 -0.01 0.00 -1.09 0.00 0.00 42.92 41.65 1yll s ASP 194 CO 0.00 -0.13 1.76 -0.44 0.70 0.00 0.00 175.17 177.06 1yll s SER 195 N 1.14 5.65 0.38 2.11 0.01 -1.26 -1.21 113.70 120.51 1yll s SER 195 Ca -0.08 0.69 -0.28 0.00 1.31 0.00 0.00 55.95 57.59 1yll s SER 195 Cb -0.13 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.47 1yll s SER 195 CO -0.03 -2.01 1.42 -1.48 0.41 0.00 0.00 173.24 171.54 1yll s LEU 196 N 7.77 4.31 0.00 2.44 0.05 -1.20 -4.98 118.68 127.06 1yll s LEU 196 Ca 0.69 2.91 0.00 0.00 0.05 0.00 0.00 54.13 57.78 1yll s LEU 196 Cb -0.16 -3.72 0.00 0.00 -2.05 0.00 0.00 46.19 40.27 1yll s LEU 196 CO 0.26 -0.82 0.00 0.61 -0.55 0.00 0.00 176.35 175.85