#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lse s GLN 7 N 0.00 3.42 0.14 1.43 0.74 -1.26 -5.09 119.66 119.05 3lse s GLN 7 Ca 0.00 -0.66 -0.32 0.00 0.05 0.00 0.00 55.36 54.42 3lse s GLN 7 Cb 0.00 -2.67 -0.12 0.00 1.10 0.00 0.00 33.01 31.32 3lse s GLN 7 CO 0.00 0.21 1.75 0.00 -0.55 0.00 0.00 175.29 176.70 3lse n ALA 8 N 3.55 2.12 -1.39 1.58 0.00 -1.26 -3.95 120.51 121.15 3lse n ALA 8 Ca -0.18 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 3lse n ALA 8 Cb 0.53 -2.51 0.08 0.00 0.00 0.00 0.00 19.45 17.55 3lse n ALA 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3lse s PRO 9 N 1.93 2.33 -0.42 0.00 0.04 -1.26 -4.95 135.00 132.67 3lse s PRO 9 Ca 0.80 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 3lse s PRO 9 Cb -0.55 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.09 3lse s PRO 9 CO 0.37 -1.54 0.74 0.71 0.04 0.00 0.00 177.00 177.32 3lse s TYR 10 N -2.99 3.04 -0.29 0.56 2.02 0.14 -4.98 117.35 114.86 3lse s TYR 10 Ca 0.60 0.21 -0.14 0.00 -0.37 0.00 0.00 57.07 57.38 3lse s TYR 10 Cb -0.16 -3.51 -0.03 0.00 -0.40 0.00 0.00 41.96 37.86 3lse s TYR 10 CO 0.56 -0.89 0.31 -0.51 -1.57 0.00 0.00 175.55 173.45 3lse s LEU 11 N 3.11 4.16 -1.15 -1.29 1.43 -1.26 -1.94 118.68 121.74 3lse s LEU 11 Ca 0.28 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 3lse s LEU 11 Cb -0.13 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3lse s LEU 11 CO 0.20 -0.18 0.86 -1.20 0.23 0.00 0.00 176.35 176.26 3lse n SER 12 N 5.25 -4.33 -4.73 2.29 7.64 0.20 -4.94 113.62 114.99 3lse n SER 12 Ca -0.11 -0.78 -0.41 0.00 1.01 0.00 0.00 58.87 58.58 3lse n SER 12 Cb 0.51 -4.55 -0.04 0.00 -1.01 0.00 0.00 64.21 59.12 3lse n SER 12 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3lse s PRO 13 N -5.25 4.60 0.57 1.43 0.05 -1.25 -5.00 135.00 130.15 3lse s PRO 13 Ca 0.28 1.62 -0.20 0.00 0.05 0.00 0.00 61.00 62.75 3lse s PRO 13 Cb -0.06 -3.34 -0.04 0.00 0.05 0.00 0.00 34.50 31.12 3lse s PRO 13 CO 0.78 0.05 1.28 0.00 0.05 0.00 0.00 177.00 179.17 3lse s ALA 14 N 0.16 2.67 -0.40 8.56 0.00 -1.26 -4.27 121.76 127.21 3lse s ALA 14 Ca 0.50 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.69 3lse s ALA 14 Cb -0.27 -3.51 0.45 0.00 0.00 0.00 0.00 23.12 19.79 3lse s ALA 14 CO 0.32 -1.29 1.37 0.28 0.00 0.00 0.00 175.76 176.43 3lse n VAL 15 N -1.31 2.75 -3.63 0.00 0.31 -1.26 -3.66 118.33 111.54 3lse n VAL 15 Ca 0.12 -4.08 -0.36 0.00 -0.01 0.00 0.00 64.34 60.01 3lse n VAL 15 Cb 0.47 -1.16 -0.08 0.00 -0.91 0.00 0.00 33.84 32.16 3lse n VAL 15 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3lse s PRO 16 N -3.65 4.21 0.01 5.55 0.02 -1.26 -4.11 135.00 135.77 3lse s PRO 16 Ca 0.53 -0.07 0.01 0.00 0.02 0.00 0.00 61.00 61.49 3lse s PRO 16 Cb 0.43 -3.44 -0.01 0.00 0.02 0.00 0.00 34.50 31.50 3lse s PRO 16 CO -0.02 0.24 -0.04 0.12 -0.33 0.00 0.00 177.00 176.98 3lse s PHE 17 N 0.50 0.32 -0.27 6.54 5.36 0.78 -4.97 117.98 126.24 3lse s PHE 17 Ca 0.12 -0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 55.89 3lse s PHE 17 Cb -0.12 -0.20 0.12 0.00 -0.34 0.00 0.00 43.02 42.47 3lse s PHE 17 CO 0.01 -0.04 0.24 -1.12 -1.46 0.00 0.00 175.22 172.85 3lse s SER 18 N -0.49 2.04 0.20 6.13 0.01 -1.26 0.89 113.70 121.21 3lse s SER 18 Ca -0.03 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.51 3lse s SER 18 Cb -0.04 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.42 3lse s SER 18 CO -0.00 -0.39 -0.03 -0.83 0.41 0.00 0.00 173.24 172.40 3lse s GLY 19 N 2.29 1.35 -0.01 3.44 0.00 0.72 -4.97 107.32 110.14 3lse s GLY 19 Ca 0.09 -1.65 -0.19 0.00 0.00 0.00 0.00 44.72 42.97 3lse s GLY 19 CO -0.29 -1.62 0.53 -1.59 0.00 0.00 0.00 173.10 170.13 3lse s THR 20 N -3.44 4.96 -0.78 0.90 2.01 -1.26 -1.30 115.64 116.74 3lse s THR 20 Ca 0.24 1.09 -0.19 0.00 0.31 0.00 0.00 61.69 63.15 3lse s THR 20 Cb 0.05 -3.86 0.12 0.00 0.01 0.00 0.00 72.50 68.82 3lse s THR 20 CO 0.05 0.46 0.95 -0.63 -0.69 0.00 0.00 174.62 174.76 3lse s ILE 21 N -0.37 4.76 -0.32 1.82 1.01 0.12 -4.90 121.20 123.32 3lse s ILE 21 Ca 0.28 -1.27 0.06 0.00 0.00 0.00 0.00 60.65 59.72 3lse s ILE 21 Cb -0.17 -4.65 0.06 0.00 0.01 0.00 0.00 42.46 37.70 3lse s ILE 21 CO 0.15 -1.35 1.03 0.00 0.00 0.00 0.00 174.94 174.78 3lse n GLN 22 N 6.45 0.04 0.00 2.79 10.64 -1.26 0.07 117.38 136.12 3lse n GLN 22 Ca 0.08 0.42 0.00 0.00 -1.83 0.00 0.00 57.00 55.68 3lse n GLN 22 Cb 0.46 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 3lse n GLN 22 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3lse n GLY 23 N -1.29 -0.14 0.00 2.61 0.00 -1.26 -5.14 105.19 99.98 3lse n GLY 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3lse n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lse n GLY 24 N -0.11 -1.60 3.61 -0.02 0.00 0.11 -4.83 105.19 102.35 3lse n GLY 24 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3lse n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lse s LEU 25 N -3.59 3.65 0.09 0.99 1.43 -0.46 -4.98 118.68 115.81 3lse s LEU 25 Ca 0.00 2.04 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3lse s LEU 25 Cb 0.00 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 3lse s LEU 25 CO 0.00 -1.77 -0.11 -1.10 0.23 0.00 0.00 176.35 173.60 3lse s GLN 26 N 5.95 2.13 0.36 1.70 -1.52 -1.26 -3.73 119.66 123.29 3lse s GLN 26 Ca 0.98 -1.01 -0.28 0.00 -1.95 0.00 0.00 55.36 53.09 3lse s GLN 26 Cb -0.35 -2.30 -0.12 0.00 -0.22 0.00 0.00 33.01 30.03 3lse s GLN 26 CO 0.36 0.51 1.39 -3.47 -0.25 0.00 0.00 175.29 173.84 3lse n ASP 27 N 0.81 3.30 0.00 5.90 2.03 -1.26 -2.42 116.55 124.91 3lse n ASP 27 Ca -0.14 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.39 3lse n ASP 27 Cb 0.52 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 3lse n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lse n GLY 28 N 0.60 2.87 3.71 0.27 0.00 -0.71 -5.04 105.19 106.90 3lse n GLY 28 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3lse n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3lse n LEU 29 N 0.00 3.72 -4.15 0.99 7.94 -1.02 -4.67 117.00 119.82 3lse n LEU 29 Ca 0.00 1.15 -0.31 0.00 -1.11 0.00 0.00 56.01 55.74 3lse n LEU 29 Cb 0.00 -1.51 -0.17 0.00 0.53 0.00 0.00 43.42 42.28 3lse n LEU 29 CO 0.00 -0.21 -0.53 -1.58 -1.11 0.00 0.00 177.39 173.96 3lse s GLN 30 N -0.67 2.81 -0.22 1.96 0.74 -1.25 -1.05 119.66 121.98 3lse s GLN 30 Ca 0.65 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 55.29 3lse s GLN 30 Cb -0.57 -2.26 0.05 0.00 1.10 0.00 0.00 33.01 31.32 3lse s GLN 30 CO 0.51 0.01 -0.11 0.42 -0.55 0.00 0.00 175.29 175.56 3lse s ILE 31 N 0.77 1.85 -0.04 -2.34 1.01 0.07 0.26 121.20 122.79 3lse s ILE 31 Ca -0.09 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.22 3lse s ILE 31 Cb -0.16 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 3lse s ILE 31 CO 0.00 0.14 0.34 -0.89 0.00 0.00 0.00 174.94 174.53 3lse s THR 32 N 1.29 5.15 -0.20 2.92 2.01 -0.86 -1.09 115.64 124.87 3lse s THR 32 Ca -0.03 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.67 3lse s THR 32 Cb -0.17 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.74 3lse s THR 32 CO -0.08 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.61 3lse s VAL 33 N -0.93 1.77 -0.14 3.82 1.01 0.14 -1.21 120.40 124.86 3lse s VAL 33 Ca 0.21 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3lse s VAL 33 Cb -0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3lse s VAL 33 CO 0.11 0.24 -0.14 0.21 0.00 0.00 0.00 175.10 175.52 3lse s ASN 34 N 1.35 3.83 0.00 3.32 3.84 0.05 -1.19 114.94 126.14 3lse s ASN 34 Ca -0.00 -0.40 0.00 0.00 0.21 0.00 0.00 52.86 52.66 3lse s ASN 34 Cb -0.16 -1.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.96 3lse s ASN 34 CO -0.09 0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.95 3lse n GLY 35 N 3.81 1.91 3.45 1.21 0.00 -1.12 -0.95 105.19 113.51 3lse n GLY 35 Ca -0.19 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 3lse n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lse s THR 36 N -2.89 -0.18 0.19 2.61 2.01 -0.34 -1.08 115.64 115.96 3lse s THR 36 Ca 0.00 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 3lse s THR 36 Cb 0.00 -0.80 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 3lse s THR 36 CO 0.00 0.02 1.04 -0.69 -0.69 0.00 0.00 174.62 174.30 3lse s VAL 37 N 1.78 3.99 0.55 3.82 1.01 -1.26 -1.28 120.40 129.02 3lse s VAL 37 Ca -0.08 1.79 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 3lse s VAL 37 Cb -0.08 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3lse s VAL 37 CO -0.16 0.34 1.01 -0.76 0.00 0.00 0.00 175.10 175.52 3lse s LEU 38 N -0.57 3.55 -0.08 3.92 1.43 -0.61 -1.69 118.68 124.62 3lse s LEU 38 Ca 0.47 1.62 0.15 0.00 -1.03 0.00 0.00 54.13 55.35 3lse s LEU 38 Cb -0.28 -4.51 0.59 0.00 0.03 0.00 0.00 46.19 42.02 3lse s LEU 38 CO 0.34 -0.77 1.47 -1.54 0.23 0.00 0.00 176.35 176.08 3lse n SER 39 N -1.81 3.92 -4.44 2.29 3.41 -1.26 -4.80 113.62 110.94 3lse n SER 39 Ca 0.07 -2.32 -0.29 0.00 -0.26 0.00 0.00 58.87 56.06 3lse n SER 39 Cb 0.54 -0.51 0.24 0.00 -0.26 0.00 0.00 64.21 64.21 3lse n SER 39 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3lse n SER 40 N 0.94 -1.81 0.33 4.04 3.41 -1.26 -4.89 113.62 114.38 3lse n SER 40 Ca 0.21 -0.13 0.18 0.00 -0.26 0.00 0.00 58.87 58.87 3lse n SER 40 Cb 0.73 -1.20 0.95 0.00 -0.26 0.00 0.00 64.21 64.42 3lse n SER 40 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3lse h SER 41 N -2.52 0.00 -3.58 4.04 4.64 -2.03 -3.43 113.55 110.67 3lse h SER 41 Ca -0.59 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.20 3lse h SER 41 Cb 1.34 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.50 3lse h SER 41 CO 0.46 0.00 0.77 -0.83 -0.87 0.00 0.00 176.83 176.36 3lse s GLY 42 N -3.89 2.53 -0.09 -0.77 0.00 -1.26 -4.91 107.32 98.93 3lse s GLY 42 Ca -0.04 1.41 0.14 0.00 0.00 0.00 0.00 44.72 46.23 3lse s GLY 42 CO 0.32 2.26 1.10 -1.30 0.00 0.00 0.00 173.10 175.48 3lse n THR 43 N 1.63 1.46 -3.82 0.90 -2.24 -1.26 -4.85 114.28 106.10 3lse n THR 43 Ca 0.05 -1.73 -0.12 0.00 -2.27 0.00 0.00 64.05 59.98 3lse n THR 43 Cb 0.40 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 3lse n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3lse s ARG 44 N -2.17 0.61 0.11 -0.78 0.52 -1.26 -0.54 118.95 115.43 3lse s ARG 44 Ca 0.23 -0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 3lse s ARG 44 Cb 0.20 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.89 3lse s ARG 44 CO 0.02 -0.17 0.03 -0.59 0.02 0.00 0.00 175.30 174.62 3lse s PHE 45 N -1.67 0.76 -0.03 -0.53 -0.71 -1.10 -1.31 117.98 113.40 3lse s PHE 45 Ca -0.12 -1.18 -0.02 0.00 -1.04 0.00 0.00 56.93 54.57 3lse s PHE 45 Cb -0.05 -0.45 0.01 0.00 -1.21 0.00 0.00 43.02 41.32 3lse s PHE 45 CO 0.01 -0.48 0.07 0.00 -1.34 0.00 0.00 175.22 173.48 3lse s ALA 46 N -4.01 -0.15 -0.28 1.99 0.00 -0.92 -2.83 121.76 115.55 3lse s ALA 46 Ca 0.19 0.26 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 3lse s ALA 46 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3lse s ALA 46 CO -0.02 -0.05 0.13 0.08 0.00 0.00 0.00 175.76 175.90 3lse s VAL 47 N 0.28 4.65 -0.12 0.00 1.01 -0.64 -2.22 120.40 123.37 3lse s VAL 47 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3lse s VAL 47 Cb -0.03 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3lse s VAL 47 CO -0.01 0.20 -0.16 0.20 0.00 0.00 0.00 175.10 175.33 3lse s ASN 48 N 1.65 3.80 -0.29 3.32 0.01 -0.16 -2.13 114.94 121.14 3lse s ASN 48 Ca 0.06 -0.37 -0.08 0.00 -0.71 0.00 0.00 52.86 51.76 3lse s ASN 48 Cb -0.16 -1.49 -0.00 0.00 0.41 0.00 0.00 41.25 40.00 3lse s ASN 48 CO 0.06 0.18 0.10 -0.36 -1.51 0.00 0.00 177.10 175.57 3lse s PHE 49 N 0.25 3.14 0.29 2.20 0.08 -0.06 -1.28 117.98 122.60 3lse s PHE 49 Ca -0.11 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.24 3lse s PHE 49 Cb -0.16 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 3lse s PHE 49 CO 0.06 -0.49 0.25 1.14 -0.10 0.00 0.00 175.22 176.08 3lse s GLN 50 N 1.56 1.58 -0.51 0.44 -2.07 -0.17 0.40 119.66 120.90 3lse s GLN 50 Ca 0.04 -1.85 -0.14 0.00 -1.82 0.00 0.00 55.36 51.60 3lse s GLN 50 Cb -0.17 0.32 0.12 0.00 -1.09 0.00 0.00 33.01 32.19 3lse s GLN 50 CO 0.04 -0.58 0.44 0.99 -1.32 0.00 0.00 175.29 174.86 3lse s THR 51 N -3.66 4.92 0.00 3.63 2.01 -0.78 -2.06 115.64 119.70 3lse s THR 51 Ca 0.39 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.88 3lse s THR 51 Cb 0.04 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.41 3lse s THR 51 CO 0.21 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 173.97 3lse n GLY 52 N 5.14 -1.25 0.10 4.40 0.00 -1.26 -4.34 105.19 107.98 3lse n GLY 52 Ca -0.12 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.43 3lse n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3lse n PHE 53 N 0.00 0.02 0.05 1.61 3.72 -1.26 -4.56 117.46 117.04 3lse n PHE 53 Ca 0.00 -0.10 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 3lse n PHE 53 Cb 0.00 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.48 3lse n PHE 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3lse h SER 54 N 0.44 -0.92 -0.01 4.37 0.87 -1.99 -3.46 113.55 112.85 3lse h SER 54 Ca 0.00 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3lse h SER 54 Cb 0.18 0.38 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3lse h SER 54 CO 0.00 -0.37 -0.00 0.61 -0.53 0.00 0.00 176.83 176.54 3lse n GLY 55 N -1.41 0.37 0.05 5.77 0.00 -1.26 -4.85 105.19 103.85 3lse n GLY 55 Ca -0.05 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3lse n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lse n ASN 56 N -0.26 0.58 -3.41 1.61 4.13 -1.26 -4.69 115.26 111.95 3lse n ASN 56 Ca -0.00 0.15 -0.19 0.00 1.68 0.00 0.00 54.58 56.22 3lse n ASN 56 Cb 0.14 -0.06 -0.10 0.00 -1.54 0.00 0.00 39.78 38.23 3lse n ASN 56 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3lse s ASP 57 N -3.82 1.88 -0.26 6.41 1.47 -1.26 0.41 116.67 121.50 3lse s ASP 57 Ca 0.09 -1.14 -0.06 0.00 1.18 0.00 0.00 52.55 52.62 3lse s ASP 57 Cb 0.15 0.35 -0.01 0.00 -0.34 0.00 0.00 42.92 43.07 3lse s ASP 57 CO 0.67 -0.36 0.05 -0.63 0.68 0.00 0.00 175.17 175.58 3lse s ILE 58 N 2.00 3.91 0.32 2.11 1.01 0.28 -1.87 121.20 128.95 3lse s ILE 58 Ca 0.12 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.32 3lse s ILE 58 Cb -0.15 -2.91 0.08 0.00 0.01 0.00 0.00 42.46 39.49 3lse s ILE 58 CO -0.24 0.23 1.77 0.00 0.00 0.00 0.00 174.94 176.71 3lse h ALA 59 N 8.20 1.22 -1.65 9.38 0.00 -0.27 0.63 119.26 136.77 3lse h ALA 59 Ca -0.36 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 3lse h ALA 59 Cb 1.15 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.57 3lse h ALA 59 CO 0.59 0.51 -0.41 0.12 0.00 0.00 0.00 179.25 180.07 3lse s PHE 60 N -4.44 -1.07 -0.19 0.00 5.36 -0.96 -4.59 117.98 112.09 3lse s PHE 60 Ca -0.06 1.15 -0.03 0.00 -0.96 0.00 0.00 56.93 57.03 3lse s PHE 60 Cb 0.14 0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 43.01 3lse s PHE 60 CO 0.77 -0.76 -0.06 -1.58 -1.46 0.00 0.00 175.22 172.13 3lse s HIS 61 N 2.65 2.94 -0.28 10.12 5.65 -0.39 -0.89 115.29 135.10 3lse s HIS 61 Ca 0.14 -0.77 0.03 0.00 0.25 0.00 0.00 55.06 54.71 3lse s HIS 61 Cb -0.15 -2.03 0.06 0.00 -1.18 0.00 0.00 32.58 29.28 3lse s HIS 61 CO -0.17 -0.39 -0.07 0.12 -0.65 0.00 0.00 174.74 173.57 3lse s PHE 62 N 1.07 3.33 -0.53 3.88 5.36 -0.90 -1.33 117.98 128.87 3lse s PHE 62 Ca 0.01 -2.36 0.04 0.00 -0.96 0.00 0.00 56.93 53.65 3lse s PHE 62 Cb -0.15 -2.09 0.15 0.00 -0.34 0.00 0.00 43.02 40.59 3lse s PHE 62 CO -0.00 -0.88 0.33 1.21 -1.46 0.00 0.00 175.22 174.41 3lse s ASN 63 N 1.10 3.79 0.33 6.13 3.04 0.35 -1.62 114.94 128.06 3lse s ASN 63 Ca -0.06 -3.11 -0.29 0.00 0.04 0.00 0.00 52.86 49.44 3lse s ASN 63 Cb -0.20 -1.23 -0.11 0.00 -1.54 0.00 0.00 41.25 38.17 3lse s ASN 63 CO -0.05 -0.19 1.41 -2.84 -3.04 0.00 0.00 177.10 172.38 3lse s PRO 64 N -0.32 4.25 -0.03 0.43 0.02 -1.13 -2.20 135.00 136.02 3lse s PRO 64 Ca 0.22 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.62 3lse s PRO 64 Cb -0.15 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.34 3lse s PRO 64 CO -0.07 -0.37 -0.07 1.03 -0.33 0.00 0.00 177.00 177.19 3lse s ARG 65 N -1.53 0.84 -0.94 5.54 0.52 -0.43 -2.70 118.95 120.26 3lse s ARG 65 Ca 0.53 -0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.52 3lse s ARG 65 Cb -0.43 -0.80 0.31 0.00 0.52 0.00 0.00 34.95 34.55 3lse s ARG 65 CO 0.54 0.04 1.42 1.19 0.02 0.00 0.00 175.30 178.51 3lse n PHE 66 N 3.52 2.85 -3.80 -0.53 3.01 0.30 -1.91 117.46 120.90 3lse n PHE 66 Ca -0.20 -2.98 -0.10 0.00 1.01 0.00 0.00 57.45 55.18 3lse n PHE 66 Cb 0.54 -1.03 -0.05 0.00 -0.01 0.00 0.00 39.48 38.92 3lse n PHE 66 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3lse s GLU 67 N -3.35 1.22 -1.65 -1.08 -1.05 -1.26 -4.83 118.70 106.70 3lse s GLU 67 Ca 0.37 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 3lse s GLU 67 Cb 0.14 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 3lse s GLU 67 CO -0.02 -0.48 0.00 -0.25 0.95 0.00 0.00 175.26 175.46 3lse n ASP 68 N -0.26 -4.51 0.00 0.83 8.00 -1.26 -0.64 116.55 118.71 3lse n ASP 68 Ca -0.11 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.78 3lse n ASP 68 Cb 0.63 -3.95 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 3lse n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lse n GLY 69 N -0.22 0.23 0.09 0.44 0.00 -1.26 -4.93 105.19 99.54 3lse n GLY 69 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3lse n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lse n GLY 70 N -2.00 0.11 3.56 -0.02 0.00 0.19 -5.02 105.19 102.01 3lse n GLY 70 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 3lse n GLY 70 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3lse s TYR 71 N -0.10 -0.45 -0.11 1.61 1.13 -0.80 -4.66 117.35 113.97 3lse s TYR 71 Ca 0.00 0.77 -0.02 0.00 -1.41 0.00 0.00 57.07 56.41 3lse s TYR 71 Cb 0.00 0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 3lse s TYR 71 CO 0.00 -0.43 -0.03 0.08 -2.51 0.00 0.00 175.55 172.67 3lse s VAL 72 N -1.19 4.05 -0.18 -3.49 1.01 -0.50 -1.31 120.40 118.79 3lse s VAL 72 Ca -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3lse s VAL 72 Cb -0.00 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3lse s VAL 72 CO 0.04 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 174.95 3lse s VAL 73 N -0.41 3.52 0.04 2.92 1.01 -0.93 -1.92 120.40 124.62 3lse s VAL 73 Ca 0.07 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3lse s VAL 73 Cb -0.12 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3lse s VAL 73 CO 0.02 0.47 0.03 0.00 0.00 0.00 0.00 175.10 175.62 3lse n ASN 75 N 0.93 -2.00 -3.72 0.00 2.85 -0.44 -0.36 115.26 112.51 3lse n ASN 75 Ca -0.12 -2.24 -0.13 0.00 -0.11 0.00 0.00 54.58 51.98 3lse n ASN 75 Cb 0.52 3.30 -0.14 0.00 1.24 0.00 0.00 39.78 44.70 3lse n ASN 75 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3lse s THR 76 N -2.09 -0.10 -0.16 -0.44 2.01 -1.26 -1.26 115.64 112.34 3lse s THR 76 Ca 0.19 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 3lse s THR 76 Cb -0.04 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 3lse s THR 76 CO 0.09 0.08 -0.03 -0.60 -0.69 0.00 0.00 174.62 173.47 3lse s ARG 77 N 1.44 3.70 -0.07 4.92 3.52 0.22 -2.33 118.95 130.35 3lse s ARG 77 Ca -0.07 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 3lse s ARG 77 Cb -0.11 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3lse s ARG 77 CO -0.07 0.25 -0.14 1.14 -0.81 0.00 0.00 175.30 175.66 3lse s GLN 78 N 0.36 1.85 -1.25 5.12 -2.07 -1.18 -0.56 119.66 121.93 3lse s GLN 78 Ca -0.04 -0.48 -0.12 0.00 -1.82 0.00 0.00 55.36 52.91 3lse s GLN 78 Cb -0.14 -1.51 0.02 0.00 -1.09 0.00 0.00 33.01 30.29 3lse s GLN 78 CO 0.03 0.06 0.22 0.27 -1.32 0.00 0.00 175.29 174.55 3lse n ASN 79 N 3.73 -0.81 -1.50 12.60 0.23 -1.13 -1.60 115.26 126.78 3lse n ASN 79 Ca -0.22 -1.13 -0.15 0.00 -0.53 0.00 0.00 54.58 52.55 3lse n ASN 79 Cb 0.52 -1.39 -0.03 0.00 -2.08 0.00 0.00 39.78 36.81 3lse n ASN 79 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3lse n GLY 80 N -2.23 0.42 2.70 4.83 0.00 0.17 -4.99 105.19 106.08 3lse n GLY 80 Ca -0.22 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 3lse n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lse s SER 81 N -2.52 1.31 -0.17 1.61 1.04 -0.63 -5.10 113.70 109.25 3lse s SER 81 Ca 0.00 -0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 3lse s SER 81 Cb 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 3lse s SER 81 CO 0.00 -0.27 1.32 0.26 0.98 0.00 0.00 173.24 175.53 3lse s TRP 82 N 2.20 2.71 0.66 5.02 0.52 -1.26 -3.11 118.94 125.68 3lse s TRP 82 Ca 0.04 0.89 -0.11 0.00 0.02 0.00 0.00 56.10 56.94 3lse s TRP 82 Cb -0.13 -3.60 0.17 0.00 -1.15 0.00 0.00 33.47 28.76 3lse s TRP 82 CO -0.05 -1.98 0.41 0.41 0.02 0.00 0.00 176.95 175.76 3lse n GLY 83 N 3.76 -3.71 3.73 0.98 0.00 -0.98 -4.96 105.19 104.00 3lse n GLY 83 Ca 0.14 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3lse n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lse s PRO 84 N -3.97 4.52 0.87 1.61 0.04 -1.26 -4.78 135.00 132.03 3lse s PRO 84 Ca 0.31 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 3lse s PRO 84 Cb -0.05 -3.31 0.12 0.00 0.04 0.00 0.00 34.50 31.30 3lse s PRO 84 CO 0.26 -0.08 1.12 -1.21 0.04 0.00 0.00 177.00 177.13 3lse s GLU 85 N 0.28 1.38 0.01 4.56 2.02 -1.26 -4.78 118.70 120.90 3lse s GLU 85 Ca 0.53 1.33 0.09 0.00 0.02 0.00 0.00 54.97 56.94 3lse s GLU 85 Cb -0.29 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 3lse s GLU 85 CO 0.32 -2.31 -0.26 -1.21 0.02 0.00 0.00 175.26 171.82 3lse s GLU 86 N -4.75 1.95 -0.02 1.61 2.02 0.51 -4.98 118.70 115.03 3lse s GLU 86 Ca 0.65 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 54.66 3lse s GLU 86 Cb -0.21 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 3lse s GLU 86 CO 0.58 0.53 -0.19 1.03 0.02 0.00 0.00 175.26 177.23 3lse s ARG 87 N -0.95 1.65 0.05 1.61 0.52 -1.26 -0.10 118.95 120.46 3lse s ARG 87 Ca 0.11 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.66 3lse s ARG 87 Cb -0.10 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 3lse s ARG 87 CO 0.01 0.37 0.09 0.15 0.02 0.00 0.00 175.30 175.93 3lse s LYS 88 N -0.31 3.00 -0.02 3.54 -0.14 -0.81 -5.00 119.74 120.00 3lse s LYS 88 Ca 0.04 -0.59 0.20 0.00 -1.36 0.00 0.00 55.97 54.26 3lse s LYS 88 Cb -0.09 -2.80 -0.28 0.00 -1.68 0.00 0.00 37.83 32.98 3lse s LYS 88 CO 0.00 0.60 0.61 0.25 -0.76 0.00 0.00 175.35 176.05 3lse n THR 89 N 0.72 0.00 -1.27 2.17 -2.24 -1.26 -1.42 114.28 110.99 3lse n THR 89 Ca -0.10 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 3lse n THR 89 Cb 0.52 0.40 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 3lse n THR 89 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3lse n HIS 90 N -1.93 -2.69 -3.36 4.78 -0.00 -1.26 -4.41 115.22 106.34 3lse n HIS 90 Ca -0.01 0.45 -0.12 0.00 -0.00 0.00 0.00 57.72 58.05 3lse n HIS 90 Cb 0.45 -1.71 -0.08 0.00 -0.00 0.00 0.00 29.99 28.65 3lse n HIS 90 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 3lse s MET 91 N -1.11 0.35 0.00 1.57 1.75 -1.26 -4.02 119.30 116.58 3lse s MET 91 Ca 0.58 0.21 0.27 0.00 -1.25 0.00 0.00 55.69 55.50 3lse s MET 91 Cb -0.49 -0.51 1.27 0.00 2.84 0.00 0.00 34.83 37.93 3lse s MET 91 CO 0.65 -0.87 1.86 -0.35 -0.65 0.00 0.00 175.02 175.66 3lse n PRO 92 N 5.34 1.42 -4.24 4.11 -0.05 -1.26 -4.85 135.00 135.47 3lse n PRO 92 Ca -0.02 -0.62 -0.31 0.00 -0.05 0.00 0.00 63.50 62.50 3lse n PRO 92 Cb 0.49 -1.46 -0.09 0.00 -0.05 0.00 0.00 33.50 32.39 3lse n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3lse s PHE 93 N -1.97 2.99 -0.03 0.54 0.08 -1.26 -5.04 117.98 113.28 3lse s PHE 93 Ca 0.39 0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.45 3lse s PHE 93 Cb 0.20 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3lse s PHE 93 CO 0.33 0.45 -0.01 -0.65 -0.10 0.00 0.00 175.22 175.24 3lse s GLN 94 N -1.90 2.82 0.32 0.44 -0.21 -1.26 -5.10 119.66 114.76 3lse s GLN 94 Ca 0.22 -0.56 -0.29 0.00 0.02 0.00 0.00 55.36 54.75 3lse s GLN 94 Cb -0.11 -2.68 -0.12 0.00 1.00 0.00 0.00 33.01 31.10 3lse s GLN 94 CO 0.14 0.65 1.51 1.63 -2.12 0.00 0.00 175.29 177.09 3lse n LYS 95 N 1.70 2.57 -0.73 2.91 5.02 -1.26 -3.25 118.16 125.12 3lse n LYS 95 Ca -0.16 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 3lse n LYS 95 Cb 0.53 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 3lse n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lse n GLY 96 N 1.46 0.88 3.16 0.72 0.00 -0.68 -4.96 105.19 105.75 3lse n GLY 96 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3lse n GLY 96 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3lse s MET 97 N -0.27 2.11 -0.02 1.61 0.00 -1.20 -4.97 119.30 116.55 3lse s MET 97 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 55.69 54.71 3lse s MET 97 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 34.83 33.03 3lse s MET 97 CO 0.00 0.23 1.23 -2.14 0.00 0.00 0.00 175.02 174.34 3lse s PRO 98 N 0.13 4.36 0.05 4.11 0.02 -1.26 -4.18 135.00 138.24 3lse s PRO 98 Ca -0.08 1.74 -0.09 0.00 0.02 0.00 0.00 61.00 62.59 3lse s PRO 98 Cb -0.13 -3.51 -0.05 0.00 0.02 0.00 0.00 34.50 30.82 3lse s PRO 98 CO 0.04 -0.42 0.35 -0.59 -0.33 0.00 0.00 177.00 176.05 3lse s PHE 99 N 1.96 3.59 -0.50 6.54 -0.12 -0.24 -4.90 117.98 124.31 3lse s PHE 99 Ca 0.58 0.72 -0.19 0.00 -0.05 0.00 0.00 56.93 57.98 3lse s PHE 99 Cb -0.27 -2.10 0.05 0.00 -0.63 0.00 0.00 43.02 40.07 3lse s PHE 99 CO 0.24 0.56 0.62 -0.51 -0.05 0.00 0.00 175.22 176.09 3lse s ASP 100 N -1.70 6.23 -0.20 1.98 1.01 -1.26 -2.77 116.67 119.96 3lse s ASP 100 Ca 0.30 -0.84 -0.03 0.00 0.71 0.00 0.00 52.55 52.70 3lse s ASP 100 Cb -0.14 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 3lse s ASP 100 CO 0.17 -0.87 -0.08 -0.22 0.21 0.00 0.00 175.17 174.38 3lse s LEU 101 N 2.65 2.79 -0.17 1.23 2.96 -0.33 -0.67 118.68 127.14 3lse s LEU 101 Ca 0.16 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3lse s LEU 101 Cb -0.18 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.84 3lse s LEU 101 CO 0.13 0.02 -0.13 0.00 -1.32 0.00 0.00 176.35 175.05 3lse s PHE 103 N 1.45 3.24 -0.14 0.00 0.08 -0.25 -0.67 117.98 121.70 3lse s PHE 103 Ca 0.03 0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.14 3lse s PHE 103 Cb -0.14 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 3lse s PHE 103 CO -0.10 -0.09 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.74 3lse s LEU 104 N 1.43 3.36 -0.23 -0.37 2.96 -0.45 -0.75 118.68 124.63 3lse s LEU 104 Ca 0.07 -0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.79 3lse s LEU 104 Cb -0.15 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3lse s LEU 104 CO 0.07 0.22 0.29 -0.69 -1.32 0.00 0.00 176.35 174.93 3lse s VAL 105 N 0.05 5.26 0.50 1.68 1.01 -0.22 -1.60 120.40 127.08 3lse s VAL 105 Ca 0.01 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.46 3lse s VAL 105 Cb -0.13 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3lse s VAL 105 CO 0.02 0.27 0.03 -1.10 0.00 0.00 0.00 175.10 174.32 3lse s GLN 106 N 1.36 2.16 0.04 2.72 -1.52 -0.02 -1.73 119.66 122.67 3lse s GLN 106 Ca 0.13 -2.38 -0.25 0.00 -1.95 0.00 0.00 55.36 50.92 3lse s GLN 106 Cb -0.14 -1.35 -0.17 0.00 -0.22 0.00 0.00 33.01 31.12 3lse s GLN 106 CO 0.07 -0.40 1.53 0.77 -0.25 0.00 0.00 175.29 177.01 3lse h SER 107 N 1.41 -0.05 0.15 5.90 0.02 -1.99 -3.35 113.55 115.65 3lse h SER 107 Ca -0.42 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.26 3lse h SER 107 Cb 1.31 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 3lse h SER 107 CO 0.71 0.16 -1.93 -1.54 -1.14 0.00 0.00 176.83 173.09 3lse n SER 108 N -5.02 0.15 -3.99 3.07 3.41 -1.26 -4.90 113.62 105.08 3lse n SER 108 Ca -0.08 0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 3lse n SER 108 Cb 0.14 1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 65.56 3lse n SER 108 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3lse s ASP 109 N -4.88 -0.07 -0.16 4.04 1.47 -1.26 -2.25 116.67 113.56 3lse s ASP 109 Ca -0.07 -0.96 -0.13 0.00 1.18 0.00 0.00 52.55 52.57 3lse s ASP 109 Cb 0.12 0.58 -0.05 0.00 -0.34 0.00 0.00 42.92 43.23 3lse s ASP 109 CO 0.88 -1.13 0.27 -0.36 0.68 0.00 0.00 175.17 175.50 3lse s PHE 110 N -4.00 3.46 -0.34 2.11 0.08 0.51 -0.84 117.98 118.96 3lse s PHE 110 Ca 0.23 0.56 -0.12 0.00 0.12 0.00 0.00 56.93 57.72 3lse s PHE 110 Cb -0.00 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 3lse s PHE 110 CO 0.09 0.25 0.22 0.15 -0.10 0.00 0.00 175.22 175.84 3lse s LYS 111 N 0.43 3.37 -0.62 0.44 1.02 -0.63 0.15 119.74 123.90 3lse s LYS 111 Ca 0.15 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.24 3lse s LYS 111 Cb -0.13 -3.76 0.11 0.00 -0.52 0.00 0.00 37.83 33.53 3lse s LYS 111 CO 0.03 -0.48 0.74 0.08 -0.92 0.00 0.00 175.35 174.81 3lse s VAL 112 N 1.68 4.81 -0.14 3.17 1.01 0.11 -1.34 120.40 129.70 3lse s VAL 112 Ca 0.05 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 3lse s VAL 112 Cb -0.18 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 3lse s VAL 112 CO 0.09 -1.16 0.81 -0.04 0.00 0.00 0.00 175.10 174.80 3lse s MET 113 N 2.68 4.34 -0.37 2.72 1.00 0.16 -1.02 119.30 128.81 3lse s MET 113 Ca 0.13 1.01 -0.07 0.00 0.00 0.00 0.00 55.69 56.76 3lse s MET 113 Cb -0.22 -3.54 0.06 0.00 0.00 0.00 0.00 34.83 31.12 3lse s MET 113 CO 0.05 -0.22 0.16 0.08 0.00 0.00 0.00 175.02 175.09 3lse s VAL 114 N 1.78 3.90 -1.19 -6.03 1.01 -0.22 -0.76 120.40 118.90 3lse s VAL 114 Ca 0.39 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3lse s VAL 114 Cb -0.17 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3lse s VAL 114 CO 0.15 -0.31 1.01 0.59 0.00 0.00 0.00 175.10 176.53 3lse n ASN 115 N 4.83 -2.99 -3.72 3.32 3.02 0.15 -3.16 115.26 116.72 3lse n ASN 115 Ca -0.11 -0.58 -0.27 0.00 -0.03 0.00 0.00 54.58 53.59 3lse n ASN 115 Cb 0.44 -4.95 0.05 0.00 -0.61 0.00 0.00 39.78 34.71 3lse n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lse n GLY 116 N -1.32 -0.52 2.94 7.41 0.00 -1.26 -5.00 105.19 107.44 3lse n GLY 116 Ca -0.21 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3lse n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lse s ILE 117 N -3.28 0.39 -0.26 -0.61 1.01 -1.19 -5.10 121.20 112.15 3lse s ILE 117 Ca 0.61 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.79 3lse s ILE 117 Cb -0.29 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 41.84 3lse s ILE 117 CO 0.75 0.12 1.08 -0.22 0.00 0.00 0.00 174.94 176.67 3lse s LEU 118 N 0.07 4.03 -0.04 2.97 2.96 -1.26 -1.05 118.68 126.36 3lse s LEU 118 Ca -0.00 1.27 -0.02 0.00 -0.22 0.00 0.00 54.13 55.15 3lse s LEU 118 Cb -0.04 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 3lse s LEU 118 CO -0.00 -0.77 -0.05 0.15 -1.32 0.00 0.00 176.35 174.36 3lse h PHE 119 N 7.80 0.00 -3.78 5.38 3.57 -1.42 -3.47 116.94 125.02 3lse h PHE 119 Ca -0.20 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.95 3lse h PHE 119 Cb 1.06 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 39.61 3lse h PHE 119 CO 0.79 0.00 -0.75 0.08 -2.23 0.00 0.00 178.31 176.20 3lse s VAL 120 N -1.33 1.00 -0.10 1.41 1.01 -1.18 -5.03 120.40 116.19 3lse s VAL 120 Ca -0.04 -1.52 0.01 0.00 0.00 0.00 0.00 61.98 60.43 3lse s VAL 120 Cb 0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3lse s VAL 120 CO 0.06 -0.44 -0.13 -1.58 0.00 0.00 0.00 175.10 173.00 3lse s GLN 121 N -2.42 3.04 -0.09 2.72 0.74 -1.26 0.04 119.66 122.43 3lse s GLN 121 Ca 0.03 -0.68 0.03 0.00 0.05 0.00 0.00 55.36 54.79 3lse s GLN 121 Cb -0.05 -2.55 0.01 0.00 1.10 0.00 0.00 33.01 31.52 3lse s GLN 121 CO 0.01 0.39 -0.19 -0.47 -0.55 0.00 0.00 175.29 174.48 3lse s TYR 122 N -0.10 2.11 -0.12 1.67 5.04 0.39 -4.93 117.35 121.41 3lse s TYR 122 Ca -0.01 -0.88 -0.21 0.00 -2.44 0.00 0.00 57.07 53.53 3lse s TYR 122 Cb -0.14 -1.46 -0.04 0.00 0.35 0.00 0.00 41.96 40.68 3lse s TYR 122 CO 0.03 -0.39 0.61 -0.06 -1.34 0.00 0.00 175.55 174.40 3lse s PHE 123 N 0.58 3.51 0.14 4.97 0.08 -1.26 0.19 117.98 126.19 3lse s PHE 123 Ca -0.15 1.05 -0.35 0.00 0.12 0.00 0.00 56.93 57.60 3lse s PHE 123 Cb -0.17 -2.71 -0.15 0.00 -0.57 0.00 0.00 43.02 39.42 3lse s PHE 123 CO 0.05 0.05 1.48 0.72 -0.10 0.00 0.00 175.22 177.43 3lse n HIS 124 N 4.05 1.99 -0.03 0.36 8.25 -0.96 -4.88 115.22 124.00 3lse n HIS 124 Ca -0.03 0.41 -0.21 0.00 -0.26 0.00 0.00 57.72 57.62 3lse n HIS 124 Cb 0.51 -2.46 -0.13 0.00 1.12 0.00 0.00 29.99 29.02 3lse n HIS 124 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3lse n ARG 125 N 3.04 0.73 -3.38 -0.41 1.74 -1.26 -4.98 116.66 112.15 3lse n ARG 125 Ca 0.17 0.27 -0.19 0.00 -0.77 0.00 0.00 57.85 57.32 3lse n ARG 125 Cb 0.25 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 3lse n ARG 125 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3lse s VAL 126 N -2.54 2.88 0.51 1.55 -7.23 -1.26 -5.10 120.40 109.22 3lse s VAL 126 Ca -0.25 -1.21 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 3lse s VAL 126 Cb 0.07 -3.02 -0.08 0.00 0.56 0.00 0.00 36.38 33.91 3lse s VAL 126 CO 0.72 -0.02 0.99 -2.16 -0.31 0.00 0.00 175.10 174.33 3lse s PRO 127 N -4.20 3.90 0.13 4.82 0.04 -1.26 -4.97 135.00 133.46 3lse s PRO 127 Ca 0.50 1.02 0.20 0.00 0.04 0.00 0.00 61.00 62.76 3lse s PRO 127 Cb -0.06 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 3lse s PRO 127 CO 0.30 -0.31 0.93 1.97 0.04 0.00 0.00 177.00 179.93 3lse n PHE 128 N -1.51 0.97 1.88 0.56 -1.74 -1.26 -4.02 117.46 112.34 3lse n PHE 128 Ca 0.07 0.30 0.10 0.00 -0.56 0.00 0.00 57.45 57.36 3lse n PHE 128 Cb 0.54 -1.02 0.57 0.00 1.52 0.00 0.00 39.48 41.08 3lse n PHE 128 CO 0.00 0.00 0.00 -2.39 -0.56 0.00 0.00 176.76 173.81 3lse n HIS 129 N -2.77 0.03 0.60 2.97 1.44 -1.24 -2.46 115.22 113.77 3lse n HIS 129 Ca -0.05 -0.01 0.13 0.00 -2.01 0.00 0.00 57.72 55.77 3lse n HIS 129 Cb 0.69 0.00 0.31 0.00 0.12 0.00 0.00 29.99 31.10 3lse n HIS 129 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3lse n ARG 130 N -0.63 0.28 -2.45 -1.40 1.74 -1.26 -4.71 116.66 108.23 3lse n ARG 130 Ca 0.15 0.17 -0.43 0.00 -0.77 0.00 0.00 57.85 56.97 3lse n ARG 130 Cb 0.11 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 29.77 3lse n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3lse s VAL 131 N -3.13 4.27 0.00 1.55 1.01 -1.03 -4.63 120.40 118.44 3lse s VAL 131 Ca 0.09 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3lse s VAL 131 Cb 0.13 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3lse s VAL 131 CO 0.65 -0.27 0.12 -0.90 0.00 0.00 0.00 175.10 174.70 3lse n ASP 132 N 6.97 0.24 -3.90 3.32 5.68 -0.87 -1.35 116.55 126.64 3lse n ASP 132 Ca 0.14 -0.58 -0.16 0.00 -0.50 0.00 0.00 54.79 53.69 3lse n ASP 132 Cb 0.46 0.51 -0.15 0.00 -1.14 0.00 0.00 41.12 40.80 3lse n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3lse s THR 133 N -0.51 0.30 -0.13 2.12 2.01 -1.09 0.15 115.64 118.49 3lse s THR 133 Ca 0.00 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 3lse s THR 133 Cb 0.00 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 3lse s THR 133 CO 0.00 0.12 -0.01 -0.51 -0.69 0.00 0.00 174.62 173.53 3lse s ILE 134 N 0.33 4.21 0.07 1.82 2.07 -0.42 -1.00 121.20 128.29 3lse s ILE 134 Ca -0.03 -0.26 0.04 0.00 -1.41 0.00 0.00 60.65 58.99 3lse s ILE 134 Cb -0.06 -2.82 -0.03 0.00 0.13 0.00 0.00 42.46 39.68 3lse s ILE 134 CO -0.01 0.54 -0.12 -0.94 -1.91 0.00 0.00 174.94 172.50 3lse s SER 135 N -0.19 1.47 0.00 4.50 1.04 -0.40 -0.20 113.70 119.91 3lse s SER 135 Ca 0.05 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.87 3lse s SER 135 Cb -0.13 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3lse s SER 135 CO 0.02 -0.13 -0.05 -0.69 0.98 0.00 0.00 173.24 173.38 3lse s VAL 136 N -1.44 0.35 0.24 5.02 1.01 0.26 -0.99 120.40 124.85 3lse s VAL 136 Ca -0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 3lse s VAL 136 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3lse s VAL 136 CO 0.02 0.03 0.42 0.54 0.00 0.00 0.00 175.10 176.11 3lse s ASN 137 N -0.28 -0.02 0.00 3.32 2.20 -0.94 -0.16 114.94 119.06 3lse s ASN 137 Ca 0.00 -1.03 0.00 0.00 -0.94 0.00 0.00 52.86 50.89 3lse s ASN 137 Cb -0.03 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.78 3lse s ASN 137 CO -0.00 -1.10 0.00 0.61 -2.94 0.00 0.00 177.10 173.67 3lse n GLY 138 N -0.37 0.07 2.90 0.45 0.00 -1.26 -2.17 105.19 104.81 3lse n GLY 138 Ca -0.01 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3lse n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3lse n SER 139 N 0.00 6.69 -4.05 1.61 3.41 -0.42 -4.90 113.62 115.95 3lse n SER 139 Ca 0.00 -3.50 -0.12 0.00 -0.26 0.00 0.00 58.87 55.00 3lse n SER 139 Cb 0.00 -1.24 -0.11 0.00 -0.26 0.00 0.00 64.21 62.60 3lse n SER 139 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3lse s VAL 140 N -3.25 0.43 -0.03 -3.33 0.11 -1.26 -1.58 120.40 111.49 3lse s VAL 140 Ca 0.33 -1.10 0.07 0.00 -2.93 0.00 0.00 61.98 58.35 3lse s VAL 140 Cb 0.09 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 3lse s VAL 140 CO 0.04 -0.46 -0.24 -1.58 -3.33 0.00 0.00 175.10 169.53 3lse s GLN 141 N -1.74 2.28 -0.25 1.54 0.74 -0.40 -4.82 119.66 117.01 3lse s GLN 141 Ca -0.10 -0.89 -0.06 0.00 0.05 0.00 0.00 55.36 54.36 3lse s GLN 141 Cb -0.09 -2.12 -0.02 0.00 1.10 0.00 0.00 33.01 31.88 3lse s GLN 141 CO -0.01 0.52 0.04 -0.51 -0.55 0.00 0.00 175.29 174.79 3lse s LEU 142 N -0.51 3.38 -0.02 3.68 1.43 -1.26 -1.20 118.68 124.19 3lse s LEU 142 Ca 0.07 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 3lse s LEU 142 Cb -0.11 -1.87 -0.20 0.00 0.03 0.00 0.00 46.19 44.04 3lse s LEU 142 CO 0.00 -0.06 1.27 0.28 0.23 0.00 0.00 176.35 178.08 3lse h SER 143 N 8.21 0.00 -4.76 2.29 0.02 -1.37 -3.31 113.55 114.63 3lse h SER 143 Ca -0.38 -0.48 0.07 0.00 -0.84 0.00 0.00 61.79 60.16 3lse h SER 143 Cb 1.16 -0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 3lse h SER 143 CO 0.59 0.48 0.41 -0.72 -1.14 0.00 0.00 176.83 176.45 3lse s TYR 144 N -4.28 -0.40 -0.08 3.45 1.13 -0.79 0.59 117.35 116.97 3lse s TYR 144 Ca -0.16 0.23 -0.00 0.00 -1.41 0.00 0.00 57.07 55.73 3lse s TYR 144 Cb 0.02 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.45 3lse s TYR 144 CO 0.67 -0.64 -0.04 0.42 -2.51 0.00 0.00 175.55 173.45 3lse s ILE 145 N -3.31 0.67 0.17 -3.49 1.01 -0.82 -0.77 121.20 114.67 3lse s ILE 145 Ca 0.04 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.68 3lse s ILE 145 Cb -0.01 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3lse s ILE 145 CO -0.10 0.30 -0.16 -0.94 0.00 0.00 0.00 174.94 174.04 3lse s SER 146 N 1.63 2.51 -0.11 3.58 1.04 -0.35 -0.68 113.70 121.33 3lse s SER 146 Ca 0.01 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.55 3lse s SER 146 Cb -0.13 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.87 3lse s SER 146 CO -0.05 -0.11 -0.18 -0.36 0.98 0.00 0.00 173.24 173.52 3lse s PHE 147 N -2.46 2.20 0.00 5.02 0.40 -1.25 -2.03 117.98 119.86 3lse s PHE 147 Ca 0.17 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 3lse s PHE 147 Cb -0.03 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.96 3lse s PHE 147 CO 0.06 -0.48 0.00 0.94 0.70 0.00 0.00 175.22 176.44