#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yst s SER 2 N 0.00 -0.39 0.35 1.61 0.15 -1.26 -5.18 113.70 108.98 2yst s SER 2 Ca 0.00 0.35 0.04 0.00 0.70 0.00 0.00 55.95 57.04 2yst s SER 2 Cb 0.00 1.37 -0.06 0.00 -1.71 0.00 0.00 66.02 65.62 2yst s SER 2 CO 0.00 -0.07 0.05 -0.94 1.20 0.00 0.00 173.24 173.48 2yst s SER 3 N 2.68 2.69 0.00 5.45 1.04 -1.26 -5.15 113.70 119.15 2yst s SER 3 Ca -0.02 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.00 2yst s SER 3 Cb -0.07 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2yst s SER 3 CO -0.13 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2yst n GLY 4 N -0.77 -2.12 4.34 7.32 0.00 -1.26 -5.02 105.19 107.69 2yst n GLY 4 Ca -0.03 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 2yst n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yst n SER 5 N 1.74 -0.91 -0.08 1.61 3.41 -1.26 -4.84 113.62 113.29 2yst n SER 5 Ca 0.00 -1.19 -0.18 0.00 -0.26 0.00 0.00 58.87 57.24 2yst n SER 5 Cb 0.00 -1.97 -0.12 0.00 -0.26 0.00 0.00 64.21 61.85 2yst n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yst h SER 6 N -1.42 0.04 -3.69 4.04 0.02 -2.04 -3.43 113.55 107.06 2yst h SER 6 Ca -0.62 -0.76 -0.63 0.00 -0.84 0.00 0.00 61.79 58.94 2yst h SER 6 Cb 1.39 -0.01 -0.40 0.00 0.14 0.00 0.00 62.40 63.52 2yst h SER 6 CO 0.78 1.29 -0.71 -0.83 -1.14 0.00 0.00 176.83 176.22 2yst s GLY 7 N -4.58 1.81 0.56 -3.77 0.00 -1.26 -5.11 107.32 94.96 2yst s GLY 7 Ca -0.24 -2.52 -0.15 0.00 0.00 0.00 0.00 44.72 41.81 2yst s GLY 7 CO 0.65 1.23 1.01 0.54 0.00 0.00 0.00 173.10 176.53 2yst s ASN 8 N 0.68 6.33 -0.07 1.64 2.20 -1.26 -5.07 114.94 119.40 2yst s ASN 8 Ca 0.13 1.58 -0.32 0.00 -0.94 0.00 0.00 52.86 53.32 2yst s ASN 8 Cb -0.21 -2.50 0.12 0.00 -2.00 0.00 0.00 41.25 36.66 2yst s ASN 8 CO -0.08 -0.79 1.23 1.51 -2.94 0.00 0.00 177.10 176.03 2yst s ASP 9 N -3.30 -0.10 -0.66 3.54 1.47 -1.26 -5.03 116.67 111.33 2yst s ASP 9 Ca 0.59 -0.10 -0.02 0.00 1.18 0.00 0.00 52.55 54.20 2yst s ASP 9 Cb -0.11 0.18 0.40 0.00 -0.34 0.00 0.00 42.92 43.05 2yst s ASP 9 CO 0.38 -0.32 2.05 -3.20 0.68 0.00 0.00 175.17 174.77 2yst n ASN 10 N -0.34 7.55 -4.21 2.11 2.85 -1.26 -4.94 115.26 117.02 2yst n ASN 10 Ca -0.05 -3.72 -0.12 0.00 -0.11 0.00 0.00 54.58 50.58 2yst n ASN 10 Cb 0.61 -1.01 -0.10 0.00 1.24 0.00 0.00 39.78 40.52 2yst n ASN 10 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2yst s SER 11 N -1.48 0.64 -0.16 1.20 1.04 -1.26 -5.12 113.70 108.56 2yst s SER 11 Ca 0.60 -1.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 2yst s SER 11 Cb 0.47 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 2yst s SER 11 CO -0.08 -0.71 1.57 -2.16 0.98 0.00 0.00 173.24 172.84 2yst s PRO 12 N -4.04 3.99 -0.09 4.02 0.04 -1.26 -4.95 135.00 132.71 2yst s PRO 12 Ca 0.29 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 63.15 2yst s PRO 12 Cb 0.07 -3.97 0.02 0.00 0.04 0.00 0.00 34.50 30.66 2yst s PRO 12 CO 0.06 -1.06 -0.05 0.50 0.04 0.00 0.00 177.00 176.50 2yst s ARG 13 N 4.28 1.17 0.78 4.56 3.52 -1.26 -4.35 118.95 127.65 2yst s ARG 13 Ca 0.69 -0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 56.01 2yst s ARG 13 Cb -0.27 -1.32 -0.01 0.00 -1.56 0.00 0.00 34.95 31.79 2yst s ARG 13 CO 0.27 -0.25 0.58 1.19 -0.81 0.00 0.00 175.30 176.28 2yst n PHE 14 N 4.89 -0.69 -0.13 5.12 3.01 -1.26 -4.29 117.46 124.12 2yst n PHE 14 Ca -0.12 0.33 -0.13 0.00 1.01 0.00 0.00 57.45 58.55 2yst n PHE 14 Cb 0.50 -1.91 -0.02 0.00 -0.01 0.00 0.00 39.48 38.04 2yst n PHE 14 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2yst h GLU 15 N -0.64 0.90 -5.07 -1.08 5.08 -1.78 -3.42 114.58 108.57 2yst h GLU 15 Ca -0.45 -0.44 -0.66 0.00 -1.00 0.00 0.00 59.36 56.81 2yst h GLU 15 Cb 1.33 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.29 2yst h GLU 15 CO 0.41 1.09 -0.76 0.15 -1.00 0.00 0.00 179.01 178.91 2yst s LYS 16 N -4.49 3.30 0.25 2.33 1.02 -1.26 -5.00 119.74 115.88 2yst s LYS 16 Ca -0.12 -0.68 -0.05 0.00 0.02 0.00 0.00 55.97 55.15 2yst s LYS 16 Cb 0.11 -2.85 0.47 0.00 -0.52 0.00 0.00 37.83 35.04 2yst s LYS 16 CO 0.86 -0.13 1.67 0.77 -0.92 0.00 0.00 175.35 177.61 2yst h SER 17 N 7.83 -0.05 -3.63 2.83 0.02 -1.93 -3.34 113.55 115.27 2yst h SER 17 Ca -0.40 0.16 -0.63 0.00 -0.84 0.00 0.00 61.79 60.08 2yst h SER 17 Cb 1.17 0.23 -0.39 0.00 0.14 0.00 0.00 62.40 63.54 2yst h SER 17 CO 0.60 -0.07 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.76 2yst s VAL 18 N -6.05 1.73 -0.83 2.27 1.01 -1.26 -2.79 120.40 114.48 2yst s VAL 18 Ca -0.13 -1.57 -0.25 0.00 0.00 0.00 0.00 61.98 60.03 2yst s VAL 18 Cb 0.22 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2yst s VAL 18 CO 0.76 -0.27 1.71 -0.31 0.00 0.00 0.00 175.10 176.99 2yst s TYR 19 N 1.26 2.00 -0.49 5.22 1.51 0.28 -4.86 117.35 122.27 2yst s TYR 19 Ca -0.01 0.24 -0.18 0.00 -1.01 0.00 0.00 57.07 56.11 2yst s TYR 19 Cb -0.19 -4.29 0.06 0.00 -0.11 0.00 0.00 41.96 37.43 2yst s TYR 19 CO -0.09 -1.98 0.55 -2.00 -1.11 0.00 0.00 175.55 170.92 2yst s GLU 20 N 6.38 3.09 0.07 -0.62 2.12 -1.26 -1.80 118.70 126.68 2yst s GLU 20 Ca 0.59 -0.97 0.10 0.00 0.36 0.00 0.00 54.97 55.05 2yst s GLU 20 Cb -0.07 -4.09 -0.03 0.00 0.26 0.00 0.00 34.13 30.20 2yst s GLU 20 CO 0.05 -1.13 -0.26 0.00 -0.54 0.00 0.00 175.26 173.37 2yst s ALA 21 N 2.36 2.31 -0.65 6.30 0.00 -0.98 -5.00 121.76 126.10 2yst s ALA 21 Ca 0.12 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 2yst s ALA 21 Cb -0.20 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.56 2yst s ALA 21 CO 0.11 0.54 0.84 -0.51 0.00 0.00 0.00 175.76 176.74 2yst s ASP 22 N -1.53 6.23 -0.16 0.00 1.01 -1.26 -2.68 116.67 118.27 2yst s ASP 22 Ca 0.13 -1.36 -0.20 0.00 0.71 0.00 0.00 52.55 51.83 2yst s ASP 22 Cb -0.10 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 2yst s ASP 22 CO 0.04 -1.22 0.58 -0.22 0.21 0.00 0.00 175.17 174.55 2yst s LEU 23 N 3.14 4.20 -0.20 1.23 1.98 -1.06 -4.92 118.68 123.05 2yst s LEU 23 Ca 0.17 0.84 -0.29 0.00 -2.89 0.00 0.00 54.13 51.96 2yst s LEU 23 Cb -0.19 -2.83 -0.01 0.00 0.66 0.00 0.00 46.19 43.82 2yst s LEU 23 CO 0.06 -0.17 1.25 0.00 -1.89 0.00 0.00 176.35 175.61 2yst s ALA 24 N 1.40 3.60 0.50 5.97 0.00 -1.26 -1.52 121.76 130.45 2yst s ALA 24 Ca 0.28 0.36 0.38 0.00 0.00 0.00 0.00 51.96 52.98 2yst s ALA 24 Cb -0.16 -3.65 1.54 0.00 0.00 0.00 0.00 23.12 20.85 2yst s ALA 24 CO 0.11 -1.29 1.65 1.05 0.00 0.00 0.00 175.76 177.28 2yst h GLU 25 N 8.39 0.06 -0.99 0.00 -0.00 -1.61 1.32 114.58 121.73 2yst h GLU 25 Ca -0.26 -0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 58.99 2yst h GLU 25 Cb 1.10 -0.01 -0.07 0.00 -0.00 0.00 0.00 28.75 29.77 2yst h GLU 25 CO 0.98 0.04 0.14 -1.71 -0.00 0.00 0.00 179.01 178.47 2yst n ASN 26 N -4.32 3.10 -4.61 3.06 5.15 -1.26 -3.98 115.26 112.40 2yst n ASN 26 Ca 0.36 -2.37 -0.43 0.00 -0.60 0.00 0.00 54.58 51.55 2yst n ASN 26 Cb 1.56 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 40.21 2yst n ASN 26 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2yst s SER 27 N 0.41 6.59 1.07 1.20 0.01 0.45 -4.97 113.70 118.46 2yst s SER 27 Ca 0.13 0.70 -0.21 0.00 1.31 0.00 0.00 55.95 57.88 2yst s SER 27 Cb 0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2yst s SER 27 CO 0.03 -1.25 -0.46 0.00 0.41 0.00 0.00 173.24 171.97 2yst n ALA 28 N 7.99 -4.61 0.98 1.44 0.00 -1.26 -3.24 120.51 121.80 2yst n ALA 28 Ca 0.13 -1.26 0.04 0.00 0.00 0.00 0.00 53.44 52.36 2yst n ALA 28 Cb 0.48 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 18.89 2yst n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2yst n PRO 29 N -0.55 0.49 -1.86 0.00 -0.04 -1.26 -2.77 135.00 129.01 2yst n PRO 29 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2yst n PRO 29 Cb 0.66 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 2yst n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yst n GLY 30 N -0.02 1.21 3.79 0.55 0.00 -1.18 -2.65 105.19 106.90 2yst n GLY 30 Ca 0.07 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 2yst n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yst s THR 31 N -0.90 4.88 0.47 2.61 2.01 -1.11 -4.74 115.64 118.85 2yst s THR 31 Ca 0.22 1.13 -0.22 0.00 0.31 0.00 0.00 61.69 63.13 2yst s THR 31 Cb 0.30 -3.87 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 2yst s THR 31 CO -0.10 0.50 1.16 -2.16 -0.69 0.00 0.00 174.62 173.33 2yst s PRO 32 N -0.70 3.71 0.00 4.92 0.04 -1.26 0.19 135.00 141.89 2yst s PRO 32 Ca 0.28 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 2yst s PRO 32 Cb -0.18 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 2yst s PRO 32 CO 0.17 -0.59 -0.01 -0.89 0.04 0.00 0.00 177.00 175.71 2yst n ILE 33 N -0.60 0.20 -3.84 0.56 5.41 0.09 -4.85 119.36 116.33 2yst n ILE 33 Ca 0.08 0.16 -0.07 0.00 1.00 0.00 0.00 62.75 63.92 2yst n ILE 33 Cb 0.48 -1.23 -0.02 0.00 -0.71 0.00 0.00 39.64 38.17 2yst n ILE 33 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2yst s LEU 34 N -5.35 -0.24 -0.22 1.39 0.05 -1.02 -5.01 118.68 108.29 2yst s LEU 34 Ca -0.01 -0.60 -0.03 0.00 0.05 0.00 0.00 54.13 53.54 2yst s LEU 34 Cb 0.00 2.65 -0.00 0.00 -2.05 0.00 0.00 46.19 46.79 2yst s LEU 34 CO 0.02 -1.29 -0.06 -1.58 -0.55 0.00 0.00 176.35 172.88 2yst s GLN 35 N -3.77 3.29 -0.45 1.48 0.74 -1.26 -0.62 119.66 119.07 2yst s GLN 35 Ca 0.11 -0.67 -0.28 0.00 0.05 0.00 0.00 55.36 54.57 2yst s GLN 35 Cb -0.05 -2.96 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 2yst s GLN 35 CO 0.06 -0.21 1.68 -0.51 -0.55 0.00 0.00 175.29 175.76 2yst s LEU 36 N 1.45 3.45 -0.20 3.68 1.02 0.18 -4.97 118.68 123.29 2yst s LEU 36 Ca 0.05 0.80 -0.03 0.00 0.02 0.00 0.00 54.13 54.97 2yst s LEU 36 Cb -0.14 -3.19 -0.01 0.00 0.02 0.00 0.00 46.19 42.86 2yst s LEU 36 CO -0.05 -1.83 -0.06 0.00 0.02 0.00 0.00 176.35 174.44 2yst s ARG 37 N 5.84 3.40 -0.53 1.70 1.70 -1.26 -4.78 118.95 125.02 2yst s ARG 37 Ca 0.69 -0.63 0.03 0.00 -0.47 0.00 0.00 55.73 55.34 2yst s ARG 37 Cb -0.16 -2.94 0.43 0.00 -0.57 0.00 0.00 34.95 31.70 2yst s ARG 37 CO 0.29 -0.10 1.55 0.00 -1.08 0.00 0.00 175.30 175.96 2yst n ALA 38 N 4.51 5.66 -1.51 7.88 0.00 -1.26 -2.38 120.51 133.40 2yst n ALA 38 Ca -0.18 -3.88 -0.56 0.00 0.00 0.00 0.00 53.44 48.82 2yst n ALA 38 Cb 0.51 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 2yst n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yst n ALA 39 N -0.69 0.35 0.00 0.00 0.00 -1.26 -4.27 120.51 114.64 2yst n ALA 39 Ca 0.50 0.18 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2yst n ALA 39 Cb 0.69 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2yst n ALA 39 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2yst n ASP 40 N 7.52 1.44 0.01 0.00 5.68 -1.26 -4.76 116.55 125.18 2yst n ASP 40 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 2yst n ASP 40 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2yst n ASP 40 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2yst n LEU 41 N -2.67 0.01 -1.91 -2.12 4.77 -1.26 -4.83 117.00 108.99 2yst n LEU 41 Ca 0.00 0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 2yst n LEU 41 Cb 0.42 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2yst n LEU 41 CO 0.00 -0.35 1.23 -0.67 -1.33 0.00 0.00 177.39 176.28 2yst n ASP 42 N -2.71 6.35 -3.12 -1.43 2.03 -1.26 -4.80 116.55 111.60 2yst n ASP 42 Ca 0.00 -3.00 -0.13 0.00 0.52 0.00 0.00 54.79 52.17 2yst n ASP 42 Cb 0.16 -1.09 -0.02 0.00 -0.72 0.00 0.00 41.12 39.45 2yst n ASP 42 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2yst n VAL 43 N 0.54 -0.03 -0.18 5.18 3.14 -1.26 -4.12 118.33 121.60 2yst n VAL 43 Ca 0.29 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.67 2yst n VAL 43 Cb 0.57 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 2yst n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2yst n GLY 44 N -0.68 -0.63 3.28 7.55 0.00 -1.26 -4.75 105.19 108.69 2yst n GLY 44 Ca 0.03 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 2yst n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yst s VAL 45 N -0.04 -0.39 -0.38 1.61 0.11 -1.26 -4.95 120.40 115.11 2yst s VAL 45 Ca 0.00 0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.16 2yst s VAL 45 Cb 0.00 -0.65 0.10 0.00 -1.53 0.00 0.00 36.38 34.30 2yst s VAL 45 CO 0.00 0.06 2.54 -0.46 -3.33 0.00 0.00 175.10 173.91 2yst n ASN 46 N 4.92 6.40 -0.13 3.54 0.23 -1.26 -4.31 115.26 124.65 2yst n ASN 46 Ca -0.15 -3.11 -0.26 0.00 -0.53 0.00 0.00 54.58 50.53 2yst n ASN 46 Cb 0.52 -1.18 -0.11 0.00 -2.08 0.00 0.00 39.78 36.93 2yst n ASN 46 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yst n GLY 47 N 0.77 -0.46 2.11 4.83 0.00 -1.26 -4.68 105.19 106.51 2yst n GLY 47 Ca 0.42 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 2yst n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yst n GLN 48 N -4.01 2.93 -3.78 1.61 6.02 -1.26 -5.00 117.38 113.89 2yst n GLN 48 Ca -0.50 -3.90 -0.24 0.00 -0.01 0.00 0.00 57.00 52.35 2yst n GLN 48 Cb 0.90 -2.01 -0.17 0.00 1.02 0.00 0.00 30.24 29.97 2yst n GLN 48 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2yst s ILE 49 N -4.20 0.45 -0.29 5.09 -1.09 -1.26 -4.31 121.20 115.59 2yst s ILE 49 Ca 0.44 -0.01 -0.08 0.00 -2.23 0.00 0.00 60.65 58.77 2yst s ILE 49 Cb 0.38 -0.65 -0.00 0.00 -1.58 0.00 0.00 42.46 40.61 2yst s ILE 49 CO 0.01 0.20 0.11 -0.70 -1.23 0.00 0.00 174.94 173.32 2yst s GLU 50 N 1.94 3.29 -0.33 2.79 2.12 -0.08 -4.66 118.70 123.76 2yst s GLU 50 Ca 0.04 -0.73 -0.16 0.00 0.36 0.00 0.00 54.97 54.47 2yst s GLU 50 Cb -0.13 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 2yst s GLU 50 CO -0.06 -0.39 0.43 0.71 -0.54 0.00 0.00 175.26 175.42 2yst s TYR 51 N 1.57 3.20 0.44 5.30 1.51 -1.25 -0.89 117.35 127.23 2yst s TYR 51 Ca 0.04 0.13 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 2yst s TYR 51 Cb -0.17 -2.77 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 2yst s TYR 51 CO 0.04 -0.45 0.11 1.33 -1.11 0.00 0.00 175.55 175.47 2yst n VAL 52 N 5.30 0.00 -2.73 0.71 0.24 0.16 -3.50 118.33 118.51 2yst n VAL 52 Ca -0.07 -2.44 -0.43 0.00 -2.04 0.00 0.00 64.34 59.37 2yst n VAL 52 Cb 0.49 0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 2yst n VAL 52 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2yst s PHE 53 N -3.05 3.17 0.00 6.34 0.08 -1.26 -0.52 117.98 122.74 2yst s PHE 53 Ca 0.16 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.29 2yst s PHE 53 Cb 0.01 -3.54 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 2yst s PHE 53 CO 0.11 -0.70 0.00 0.41 -0.10 0.00 0.00 175.22 174.94 2yst n GLY 54 N 3.96 1.50 1.78 4.36 0.00 -0.94 -4.68 105.19 111.16 2yst n GLY 54 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2yst n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yst n ALA 55 N -3.00 4.88 -2.21 4.61 0.00 -1.26 -4.90 120.51 118.63 2yst n ALA 55 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 53.44 52.14 2yst n ALA 55 Cb 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.09 2yst n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yst s ALA 56 N -0.73 3.85 0.06 0.00 0.00 -1.26 -4.17 121.76 119.51 2yst s ALA 56 Ca 0.24 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2yst s ALA 56 Cb 0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2yst s ALA 56 CO -0.02 -0.47 0.08 -0.08 0.00 0.00 0.00 175.76 175.27 2yst s THR 57 N -2.59 4.56 0.23 0.00 -1.32 -1.26 -4.99 115.64 110.27 2yst s THR 57 Ca 0.51 -0.70 -0.14 0.00 -1.21 0.00 0.00 61.69 60.15 2yst s THR 57 Cb -0.10 -3.17 0.29 0.00 -1.51 0.00 0.00 72.50 68.01 2yst s THR 57 CO 0.37 0.17 1.58 -0.33 -2.21 0.00 0.00 174.62 174.21 2yst h GLU 58 N 3.47 -0.03 -0.81 7.08 4.39 -1.99 0.12 114.58 126.81 2yst h GLU 58 Ca -0.47 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.38 2yst h GLU 58 Cb 1.17 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.67 2yst h GLU 58 CO 0.65 -0.02 -0.26 0.66 -1.16 0.00 0.00 179.01 178.88 2yst h SER 59 N -0.04 -0.95 0.03 1.42 4.64 -1.98 0.99 113.55 117.67 2yst h SER 59 Ca 0.36 0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.90 2yst h SER 59 Cb 0.60 0.56 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2yst h SER 59 CO -0.84 -0.28 -0.09 0.58 -0.87 0.00 0.00 176.83 175.32 2yst h VAL 60 N -0.03 1.13 -0.16 0.95 2.07 -1.16 0.23 116.25 119.28 2yst h VAL 60 Ca 0.36 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 2yst h VAL 60 Cb 0.59 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2yst h VAL 60 CO -0.84 0.17 -0.48 0.03 0.02 0.00 0.00 177.57 176.47 2yst h ARG 61 N 0.15 0.60 0.00 1.57 3.08 0.15 0.57 114.38 120.50 2yst h ARG 61 Ca 0.03 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 2yst h ARG 61 Cb 0.26 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 2yst h ARG 61 CO 0.01 1.06 -0.01 0.07 -1.07 0.00 0.00 179.97 180.03 2yst h ARG 62 N 0.26 0.00 0.00 0.04 0.11 -0.09 -3.20 114.38 111.50 2yst h ARG 62 Ca -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 2yst h ARG 62 Cb 1.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 2yst h ARG 62 CO 0.10 0.01 -1.76 -0.11 0.10 0.00 0.00 179.97 178.32 2yst n LEU 63 N -3.10 0.26 -3.89 0.08 7.94 0.79 -4.13 117.00 114.94 2yst n LEU 63 Ca 0.03 0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.90 2yst n LEU 63 Cb 0.50 0.03 -0.14 0.00 0.53 0.00 0.00 43.42 44.34 2yst n LEU 63 CO 0.33 0.01 -0.37 -0.76 -1.11 0.00 0.00 177.39 175.48 2yst s LEU 64 N -4.88 1.94 -0.09 -1.96 1.43 0.20 -2.17 118.68 113.15 2yst s LEU 64 Ca -0.06 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2yst s LEU 64 Cb 0.12 -0.08 -0.03 0.00 0.03 0.00 0.00 46.19 46.23 2yst s LEU 64 CO 0.87 0.01 -0.06 -0.60 0.23 0.00 0.00 176.35 176.79 2yst s ARG 65 N 0.04 2.99 -0.05 1.70 6.06 -0.35 -4.15 118.95 125.19 2yst s ARG 65 Ca -0.00 -0.55 0.05 0.00 -2.50 0.00 0.00 55.73 52.73 2yst s ARG 65 Cb -0.01 -2.67 -0.01 0.00 0.06 0.00 0.00 34.95 32.32 2yst s ARG 65 CO -0.00 0.55 -0.20 -1.17 -2.50 0.00 0.00 175.30 171.98 2yst s LEU 66 N -0.49 1.96 0.14 -0.88 2.96 -1.26 -1.58 118.68 119.53 2yst s LEU 66 Ca 0.07 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2yst s LEU 66 Cb -0.12 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 2yst s LEU 66 CO 0.02 0.18 0.30 -1.81 -1.32 0.00 0.00 176.35 173.72 2yst s ASP 67 N -0.01 6.37 -0.09 3.68 1.01 -0.29 -4.95 116.67 122.38 2yst s ASP 67 Ca -0.04 0.29 -0.03 0.00 0.71 0.00 0.00 52.55 53.48 2yst s ASP 67 Cb -0.12 -1.96 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 2yst s ASP 67 CO 0.03 0.06 -0.11 -1.84 0.21 0.00 0.00 175.17 173.52 2yst n GLU 68 N -0.32 0.21 0.27 8.23 0.28 -1.23 -3.19 120.64 124.90 2yst n GLU 68 Ca -0.06 0.08 0.17 0.00 -0.16 0.00 0.00 57.16 57.19 2yst n GLU 68 Cb 0.53 -0.96 0.92 0.00 1.43 0.00 0.00 31.44 33.35 2yst n GLU 68 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2yst h THR 69 N -0.22 0.43 0.00 3.84 2.02 -1.89 -3.08 112.91 114.02 2yst h THR 69 Ca -0.23 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 2yst h THR 69 Cb 1.25 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2yst h THR 69 CO -0.10 0.00 -1.49 -1.54 0.37 0.00 0.00 175.52 172.75 2yst n SER 70 N -3.71 3.32 0.00 4.18 3.41 -1.26 -4.83 113.62 114.72 2yst n SER 70 Ca -0.01 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2yst n SER 70 Cb 0.17 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2yst n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yst n GLY 71 N 2.93 0.74 3.94 5.00 0.00 -1.16 -4.80 105.19 111.83 2yst n GLY 71 Ca -0.14 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 2yst n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yst s TRP 72 N -2.00 3.12 -0.04 1.61 0.52 -1.25 0.51 118.94 121.40 2yst s TRP 72 Ca 0.00 0.41 -0.02 0.00 0.02 0.00 0.00 56.10 56.51 2yst s TRP 72 Cb 0.00 -2.73 0.03 0.00 -1.15 0.00 0.00 33.47 29.62 2yst s TRP 72 CO 0.00 -0.84 0.09 -1.17 0.02 0.00 0.00 176.95 175.05 2yst s LEU 73 N -4.91 0.87 0.00 2.99 0.20 0.21 -1.14 118.68 116.90 2yst s LEU 73 Ca 0.54 0.18 0.04 0.00 0.69 0.00 0.00 54.13 55.58 2yst s LEU 73 Cb -0.10 0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.80 2yst s LEU 73 CO 0.42 -0.14 0.29 -1.54 -0.29 0.00 0.00 176.35 175.09 2yst n SER 74 N 4.22 -0.77 -4.87 3.68 3.41 -0.61 -0.73 113.62 117.94 2yst n SER 74 Ca -0.27 -2.72 -0.33 0.00 -0.26 0.00 0.00 58.87 55.30 2yst n SER 74 Cb 0.51 1.63 -0.05 0.00 -0.26 0.00 0.00 64.21 66.04 2yst n SER 74 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2yst s VAL 75 N -2.98 4.95 -0.14 -3.33 1.01 0.13 -1.21 120.40 118.82 2yst s VAL 75 Ca 0.30 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.82 2yst s VAL 75 Cb 0.01 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 2yst s VAL 75 CO 0.21 0.03 -0.09 -0.11 0.00 0.00 0.00 175.10 175.14 2yst n LEU 76 N 0.15 2.20 -3.99 3.92 7.94 -0.92 -3.08 117.00 123.22 2yst n LEU 76 Ca -0.02 -0.06 -0.19 0.00 -1.11 0.00 0.00 56.01 54.63 2yst n LEU 76 Cb 0.52 -0.31 -0.15 0.00 0.53 0.00 0.00 43.42 44.01 2yst n LEU 76 CO 0.45 0.63 -0.43 -1.00 -1.11 0.00 0.00 177.39 175.93 2yst s HIS 77 N -2.29 0.85 0.42 1.96 3.76 -1.10 -4.51 115.29 114.36 2yst s HIS 77 Ca -0.16 -0.20 -0.21 0.00 -0.15 0.00 0.00 55.06 54.34 2yst s HIS 77 Cb 0.05 -0.60 -0.16 0.00 1.11 0.00 0.00 32.58 32.98 2yst s HIS 77 CO 0.38 -0.08 0.06 2.89 -0.85 0.00 0.00 174.74 177.14 2yst n ARG 78 N 3.24 0.00 -4.63 1.40 0.00 -1.26 -4.58 116.66 110.83 2yst n ARG 78 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.36 2yst n ARG 78 Cb 0.55 -1.00 -0.12 0.00 -0.00 0.00 0.00 32.46 31.89 2yst n ARG 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2yst s ILE 79 N -1.72 3.28 -0.27 8.89 1.01 -1.20 -4.92 121.20 126.27 2yst s ILE 79 Ca 0.59 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2yst s ILE 79 Cb -0.62 -2.38 0.07 0.00 0.01 0.00 0.00 42.46 39.55 2yst s ILE 79 CO 0.63 0.45 -0.01 -0.62 0.00 0.00 0.00 174.94 175.38 2yst s ASP 80 N -1.20 4.08 0.46 3.58 -1.08 -1.26 -4.38 116.67 116.86 2yst s ASP 80 Ca 0.15 -1.44 0.38 0.00 -0.52 0.00 0.00 52.55 51.11 2yst s ASP 80 Cb -0.11 -1.23 1.50 0.00 -1.46 0.00 0.00 42.92 41.62 2yst s ASP 80 CO 0.05 -0.29 1.47 -1.14 0.52 0.00 0.00 175.17 175.78 2yst n ARG 81 N 4.61 -0.02 0.22 4.34 0.63 -1.24 0.61 116.66 125.80 2yst n ARG 81 Ca -0.08 1.11 -0.14 0.00 -0.92 0.00 0.00 57.85 57.82 2yst n ARG 81 Cb 0.43 -2.34 -0.08 0.00 0.45 0.00 0.00 32.46 30.93 2yst n ARG 81 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2yst h GLU 82 N 0.00 -0.53 -0.06 -0.14 4.81 -1.98 -3.01 114.58 113.67 2yst h GLU 82 Ca 0.85 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 60.09 2yst h GLU 82 Cb 3.04 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 32.53 2yst h GLU 82 CO -0.26 -0.24 -0.11 1.05 -0.73 0.00 0.00 179.01 178.72 2yst h GLU 83 N -0.78 0.09 -3.18 1.92 4.11 -0.25 -3.42 114.58 113.07 2yst h GLU 83 Ca -0.06 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.16 2yst h GLU 83 Cb 0.53 -0.01 -0.28 0.00 0.50 0.00 0.00 28.75 29.48 2yst h GLU 83 CO 0.09 0.20 -0.51 0.14 0.07 0.00 0.00 179.01 179.01 2yst s VAL 84 N -4.79 -0.02 -0.21 -1.06 -7.23 -0.23 -5.02 120.40 101.83 2yst s VAL 84 Ca -0.05 0.09 0.10 0.00 -1.81 0.00 0.00 61.98 60.31 2yst s VAL 84 Cb 0.16 -0.31 -0.13 0.00 0.56 0.00 0.00 36.38 36.66 2yst s VAL 84 CO 0.70 0.03 0.30 0.59 -0.31 0.00 0.00 175.10 176.42 2yst n ASN 85 N 3.64 1.72 -3.64 4.85 3.02 -1.21 -3.72 115.26 119.92 2yst n ASN 85 Ca -0.20 -0.32 -0.08 0.00 -0.03 0.00 0.00 54.58 53.95 2yst n ASN 85 Cb 0.55 1.25 -0.07 0.00 -0.61 0.00 0.00 39.78 40.90 2yst n ASN 85 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2yst s GLN 86 N -2.34 0.70 -0.15 3.52 0.74 -1.26 -3.49 119.66 117.38 2yst s GLN 86 Ca -0.00 1.15 -0.01 0.00 0.05 0.00 0.00 55.36 56.54 2yst s GLN 86 Cb 0.07 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.34 2yst s GLN 86 CO 0.40 -0.14 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.39 2yst s LEU 87 N 1.43 2.75 -0.08 3.68 1.43 -1.01 -5.02 118.68 121.86 2yst s LEU 87 Ca -0.08 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2yst s LEU 87 Cb -0.05 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.56 2yst s LEU 87 CO -0.17 0.12 -0.04 -0.60 0.23 0.00 0.00 176.35 175.89 2yst s ARG 88 N 0.62 1.04 0.32 1.70 3.00 -1.26 -1.47 118.95 122.90 2yst s ARG 88 Ca -0.06 -0.08 -0.09 0.00 -1.00 0.00 0.00 55.73 54.50 2yst s ARG 88 Cb -0.15 -1.22 0.01 0.00 0.00 0.00 0.00 34.95 33.59 2yst s ARG 88 CO 0.03 -0.25 0.54 -0.59 0.00 0.00 0.00 175.30 175.03 2yst s PHE 89 N 1.69 0.63 0.19 5.12 -0.12 -1.20 -4.84 117.98 119.44 2yst s PHE 89 Ca 0.02 -1.00 0.09 0.00 -0.05 0.00 0.00 56.93 55.99 2yst s PHE 89 Cb -0.13 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2yst s PHE 89 CO -0.05 -1.18 -0.18 0.99 -0.05 0.00 0.00 175.22 174.75 2yst s THR 90 N -3.23 1.88 -0.04 -4.49 2.01 -1.26 -0.61 115.64 109.90 2yst s THR 90 Ca 0.25 -2.04 0.03 0.00 0.31 0.00 0.00 61.69 60.24 2yst s THR 90 Cb -0.01 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.55 2yst s THR 90 CO 0.15 -0.39 -0.13 0.68 -0.69 0.00 0.00 174.62 174.24 2yst s VAL 91 N -2.31 1.14 0.11 3.82 -7.23 -0.93 -2.22 120.40 112.78 2yst s VAL 91 Ca 0.19 -0.54 0.03 0.00 -1.81 0.00 0.00 61.98 59.84 2yst s VAL 91 Cb -0.04 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 2yst s VAL 91 CO 0.08 0.34 0.18 -0.04 -0.31 0.00 0.00 175.10 175.34 2yst s MET 92 N 0.22 3.17 -0.24 4.82 -1.94 0.32 -1.66 119.30 124.00 2yst s MET 92 Ca -0.06 -0.64 -0.03 0.00 -1.71 0.00 0.00 55.69 53.26 2yst s MET 92 Cb -0.11 -2.85 0.08 0.00 2.01 0.00 0.00 34.83 33.95 2yst s MET 92 CO 0.02 0.55 0.07 0.00 -0.01 0.00 0.00 175.02 175.65 2yst s ALA 93 N -1.59 1.01 0.13 3.03 0.00 -1.06 -0.66 121.76 122.62 2yst s ALA 93 Ca 0.32 -0.96 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 2yst s ALA 93 Cb -0.12 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 2yst s ALA 93 CO 0.26 -1.37 0.67 1.03 0.00 0.00 0.00 175.76 176.35 2yst s ARG 94 N 1.87 4.36 0.00 0.00 0.52 -0.07 -3.25 118.95 122.37 2yst s ARG 94 Ca 0.04 0.92 0.00 0.00 -0.52 0.00 0.00 55.73 56.17 2yst s ARG 94 Cb -0.17 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.10 2yst s ARG 94 CO -0.17 0.58 0.00 -3.47 0.02 0.00 0.00 175.30 172.26 2yst n ASP 95 N 1.54 0.00 -3.64 0.23 2.03 -1.24 -0.91 116.55 114.56 2yst n ASP 95 Ca -0.07 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.17 2yst n ASP 95 Cb 0.50 -0.04 -0.07 0.00 -0.72 0.00 0.00 41.12 40.79 2yst n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yst s ARG 96 N -0.68 0.58 0.00 -0.67 1.70 -1.26 -4.77 118.95 113.86 2yst s ARG 96 Ca 0.00 0.92 0.00 0.00 -0.47 0.00 0.00 55.73 56.18 2yst s ARG 96 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 2yst s ARG 96 CO 0.00 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 2yst n GLY 97 N 3.63 3.58 2.61 3.88 0.00 -1.26 -4.07 105.19 113.56 2yst n GLY 97 Ca -0.18 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 2yst n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yst s GLN 98 N -2.68 0.25 0.35 1.61 -2.07 -1.26 0.11 119.66 115.97 2yst s GLN 98 Ca 0.00 -0.40 -0.27 0.00 -1.82 0.00 0.00 55.36 52.87 2yst s GLN 98 Cb 0.00 -1.60 -0.09 0.00 -1.09 0.00 0.00 33.01 30.22 2yst s GLN 98 CO 0.00 -0.84 1.21 -1.25 -1.32 0.00 0.00 175.29 173.09 2yst s PRO 99 N 2.04 4.26 0.09 9.60 0.04 -1.26 -5.11 135.00 144.66 2yst s PRO 99 Ca 0.05 1.98 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 2yst s PRO 99 Cb -0.16 -2.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.39 2yst s PRO 99 CO -0.22 -0.18 1.38 -1.25 0.04 0.00 0.00 177.00 176.77 2yst s PRO 100 N -1.96 4.32 -0.76 0.56 0.04 0.30 -4.87 135.00 132.63 2yst s PRO 100 Ca 0.52 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.28 2yst s PRO 100 Cb -0.34 -3.33 -0.16 0.00 0.04 0.00 0.00 34.50 30.71 2yst s PRO 100 CO 0.44 -0.45 2.54 1.63 0.04 0.00 0.00 177.00 181.20 2yst n LYS 101 N 4.25 0.42 -3.89 4.56 4.76 -1.26 -4.78 118.16 122.23 2yst n LYS 101 Ca 0.12 0.03 -0.36 0.00 -2.87 0.00 0.00 58.31 55.23 2yst n LYS 101 Cb 0.43 -2.18 -0.11 0.00 -1.84 0.00 0.00 35.03 31.33 2yst n LYS 101 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2yst s THR 102 N 9.65 4.65 -0.18 -0.18 -4.23 -1.26 -3.70 115.64 120.39 2yst s THR 102 Ca 1.21 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.59 2yst s THR 102 Cb -0.91 -3.13 -0.03 0.00 1.34 0.00 0.00 72.50 69.76 2yst s THR 102 CO 0.43 0.39 0.03 1.51 -0.54 0.00 0.00 174.62 176.44 2yst s ASP 103 N 0.98 5.29 -0.16 3.99 -4.77 -1.20 -4.85 116.67 115.95 2yst s ASP 103 Ca 0.04 -0.03 -0.13 0.00 -3.30 0.00 0.00 52.55 49.13 2yst s ASP 103 Cb -0.14 -1.90 -0.05 0.00 -1.09 0.00 0.00 42.92 39.75 2yst s ASP 103 CO 0.03 0.14 0.28 -0.54 0.70 0.00 0.00 175.17 175.78 2yst s LYS 104 N 0.54 4.22 -0.15 2.11 1.02 -1.26 -2.56 119.74 123.65 2yst s LYS 104 Ca 0.01 0.07 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 2yst s LYS 104 Cb -0.13 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2yst s LYS 104 CO 0.02 0.27 -0.06 0.00 -0.92 0.00 0.00 175.35 174.66 2yst s ALA 105 N 0.37 1.43 0.28 5.17 0.00 -0.66 -4.92 121.76 123.42 2yst s ALA 105 Ca 0.16 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 2yst s ALA 105 Cb -0.13 -1.06 -0.10 0.00 0.00 0.00 0.00 23.12 21.83 2yst s ALA 105 CO 0.04 -0.67 1.41 0.99 0.00 0.00 0.00 175.76 177.52 2yst s THR 106 N 1.66 2.64 -0.37 0.00 2.01 -1.12 -2.19 115.64 118.27 2yst s THR 106 Ca 0.02 0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.61 2yst s THR 106 Cb -0.14 -3.36 0.11 0.00 0.01 0.00 0.00 72.50 69.11 2yst s THR 106 CO -0.08 0.10 0.13 -0.69 -0.69 0.00 0.00 174.62 173.39 2yst s VAL 107 N -0.34 1.69 -0.47 3.82 1.01 0.22 0.99 120.40 127.33 2yst s VAL 107 Ca 0.56 -2.19 -0.22 0.00 0.00 0.00 0.00 61.98 60.13 2yst s VAL 107 Cb -0.42 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2yst s VAL 107 CO 0.47 -0.70 0.73 -0.69 0.00 0.00 0.00 175.10 174.91 2yst s VAL 108 N 0.89 4.71 -0.42 2.92 1.01 -0.74 -3.27 120.40 125.49 2yst s VAL 108 Ca 0.13 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 2yst s VAL 108 Cb -0.20 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 31.94 2yst s VAL 108 CO -0.11 -0.74 0.28 -0.76 0.00 0.00 0.00 175.10 173.77 2yst s LEU 109 N 3.12 5.19 -0.11 3.92 1.43 -0.54 -2.32 118.68 129.38 2yst s LEU 109 Ca 0.25 -1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 51.66 2yst s LEU 109 Cb -0.14 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2yst s LEU 109 CO 0.19 -0.54 1.05 0.20 0.23 0.00 0.00 176.35 177.48 2yst s ASN 110 N 2.14 7.19 -0.57 2.29 0.01 -1.09 -2.40 114.94 122.51 2yst s ASN 110 Ca 0.03 1.57 -0.27 0.00 -0.71 0.00 0.00 52.86 53.48 2yst s ASN 110 Cb -0.23 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.87 2yst s ASN 110 CO 0.04 -0.50 1.68 -0.63 -1.51 0.00 0.00 177.10 176.18 2yst s ILE 111 N 2.17 3.52 0.45 0.60 -1.09 -1.23 -2.57 121.20 123.05 2yst s ILE 111 Ca 0.49 0.39 -0.05 0.00 -2.23 0.00 0.00 60.65 59.25 2yst s ILE 111 Cb -0.19 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 2yst s ILE 111 CO 0.18 -0.98 0.74 -0.54 -1.23 0.00 0.00 174.94 173.11 2yst s LYS 112 N 6.31 3.56 -0.17 2.79 -0.14 -0.58 -4.85 119.74 126.67 2yst s LYS 112 Ca 0.62 0.15 -0.03 0.00 -1.36 0.00 0.00 55.97 55.35 2yst s LYS 112 Cb -0.13 -2.43 -0.02 0.00 -1.68 0.00 0.00 37.83 33.57 2yst s LYS 112 CO 0.23 -0.12 -0.05 0.34 -0.76 0.00 0.00 175.35 174.99 2yst s ASP 113 N -3.96 4.53 -0.04 2.83 2.15 -1.26 -1.57 116.67 119.35 2yst s ASP 113 Ca 0.47 -0.25 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 2yst s ASP 113 Cb -0.10 -1.75 -0.31 0.00 -0.30 0.00 0.00 42.92 40.46 2yst s ASP 113 CO 0.42 0.10 0.70 -0.08 -0.17 0.00 0.00 175.17 176.14 2yst h GLU 114 N 7.20 0.40 -0.59 4.34 4.81 -1.98 -3.37 114.58 125.39 2yst h GLU 114 Ca -0.33 -0.68 0.08 0.00 -0.13 0.00 0.00 59.36 58.30 2yst h GLU 114 Cb 1.19 0.25 -0.10 0.00 0.63 0.00 0.00 28.75 30.72 2yst h GLU 114 CO 0.60 1.32 -0.47 -0.97 -0.73 0.00 0.00 179.01 178.76 2yst h ASN 115 N 0.11 -1.61 -2.96 1.04 -0.73 -2.05 -3.41 115.58 105.97 2yst h ASN 115 Ca -0.33 0.25 -0.42 0.00 1.87 0.00 0.00 56.30 57.67 2yst h ASN 115 Cb 2.10 0.72 0.22 0.00 0.27 0.00 0.00 38.32 41.63 2yst h ASN 115 CO 0.19 -0.34 -0.20 -0.67 -0.37 0.00 0.00 177.43 176.04 2yst n ASP 116 N -5.39 -2.28 -4.26 1.15 2.03 -1.26 -4.98 116.55 101.56 2yst n ASP 116 Ca 0.01 -0.29 -0.39 0.00 0.52 0.00 0.00 54.79 54.64 2yst n ASP 116 Cb 0.34 -1.17 -0.11 0.00 -0.72 0.00 0.00 41.12 39.46 2yst n ASP 116 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2yst s ASN 117 N -2.37 5.47 -0.09 1.67 3.84 -1.26 -5.05 114.94 117.15 2yst s ASN 117 Ca 0.66 -1.38 0.04 0.00 0.21 0.00 0.00 52.86 52.39 2yst s ASN 117 Cb -0.22 -1.93 -0.00 0.00 -0.55 0.00 0.00 41.25 38.55 2yst s ASN 117 CO 0.64 -0.45 -0.23 0.54 -2.79 0.00 0.00 177.10 174.82 2yst s VAL 118 N 1.39 1.96 -2.00 -5.21 0.11 -1.26 -5.21 120.40 110.19 2yst s VAL 118 Ca 0.02 -0.97 0.16 0.00 -2.93 0.00 0.00 61.98 58.25 2yst s VAL 118 Cb -0.21 -1.70 0.45 0.00 -1.53 0.00 0.00 36.38 33.39 2yst s VAL 118 CO 0.02 0.54 1.35 -0.81 -3.33 0.00 0.00 175.10 172.87