#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 0.04 0.19 1.61 0.15 -1.26 -5.13 113.70 109.30 2yst s SER 2 Ca 0.00 -0.99 -0.27 0.00 0.70 0.00 0.00 55.95 55.40 2yst s SER 2 Cb 0.00 0.73 -0.16 0.00 -1.71 0.00 0.00 66.02 64.87 2yst s SER 2 CO 0.00 -1.40 0.49 -1.54 1.20 0.00 0.00 173.24 171.99 2yst n SER 3 N -0.89 -1.21 -4.44 5.45 3.41 -1.26 -4.82 113.62 109.86 2yst n SER 3 Ca -0.04 1.08 -0.44 0.00 -0.26 0.00 0.00 58.87 59.21 2yst n SER 3 Cb 0.60 -0.91 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2yst n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yst s GLY 4 N -0.96 2.31 -0.31 5.00 0.00 -1.26 -4.96 107.32 107.14 2yst s GLY 4 Ca 0.61 -3.17 -0.01 0.00 0.00 0.00 0.00 44.72 42.14 2yst s GLY 4 CO 0.54 1.93 0.02 -0.45 0.00 0.00 0.00 173.10 175.13 2yst s SER 5 N 2.97 4.91 0.25 1.64 0.15 -1.26 -5.07 113.70 117.28 2yst s SER 5 Ca 0.36 -1.38 -0.20 0.00 0.70 0.00 0.00 55.95 55.43 2yst s SER 5 Cb -0.05 -1.71 0.03 0.00 -1.71 0.00 0.00 66.02 62.58 2yst s SER 5 CO -0.05 -0.29 0.67 -0.94 1.20 0.00 0.00 173.24 173.83 2yst s SER 6 N 1.29 -0.29 -0.31 5.45 1.04 -1.26 -5.11 113.70 114.51 2yst s SER 6 Ca -0.04 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.89 2yst s SER 6 Cb -0.20 0.69 0.32 0.00 0.10 0.00 0.00 66.02 66.93 2yst s SER 6 CO -0.02 -1.25 1.42 0.61 0.98 0.00 0.00 173.24 174.98 2yst n GLY 7 N -0.43 -1.78 3.71 7.32 0.00 -1.26 -4.98 105.19 107.77 2yst n GLY 7 Ca -0.06 0.99 -0.25 0.00 0.00 0.00 0.00 46.02 46.69 2yst n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yst n ASN 8 N 0.64 -4.74 -4.17 1.61 3.02 -1.26 -4.98 115.26 105.37 2yst n ASN 8 Ca -0.06 -0.67 -0.32 0.00 -0.03 0.00 0.00 54.58 53.50 2yst n ASN 8 Cb 0.76 -4.52 -0.17 0.00 -0.61 0.00 0.00 39.78 35.24 2yst n ASN 8 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2yst s ASP 9 N -3.55 2.98 -0.46 6.41 1.11 -1.26 -5.09 116.67 116.81 2yst s ASP 9 Ca 0.48 -0.56 0.04 0.00 0.18 0.00 0.00 52.55 52.69 2yst s ASP 9 Cb -0.23 -1.37 0.12 0.00 1.07 0.00 0.00 42.92 42.51 2yst s ASP 9 CO 0.78 0.10 0.19 0.20 1.18 0.00 0.00 175.17 177.61 2yst s ASN 10 N 0.69 4.43 0.04 0.27 0.01 -1.26 -5.09 114.94 114.03 2yst s ASN 10 Ca -0.11 -2.73 0.07 0.00 -0.71 0.00 0.00 52.86 49.38 2yst s ASN 10 Cb -0.16 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.85 2yst s ASN 10 CO 0.02 -0.28 -0.18 -0.44 -1.51 0.00 0.00 177.10 174.71 2yst s SER 11 N 0.10 3.84 0.22 -1.22 0.01 -1.26 -5.02 113.70 110.37 2yst s SER 11 Ca 0.15 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 2yst s SER 11 Cb -0.24 -0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.28 2yst s SER 11 CO -0.03 0.25 1.29 -2.16 0.41 0.00 0.00 173.24 173.00 2yst s PRO 12 N -1.49 4.41 -0.21 12.44 0.04 -1.26 -5.03 135.00 143.90 2yst s PRO 12 Ca 0.15 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 2yst s PRO 12 Cb -0.11 -3.18 0.10 0.00 0.04 0.00 0.00 34.50 31.35 2yst s PRO 12 CO 0.06 -0.21 0.24 0.50 0.04 0.00 0.00 177.00 177.63 2yst s ARG 13 N -0.41 0.22 1.03 4.56 3.00 -1.26 -4.39 118.95 121.69 2yst s ARG 13 Ca 0.55 0.22 -0.21 0.00 -1.00 0.00 0.00 55.73 55.29 2yst s ARG 13 Cb -0.36 -1.10 -0.05 0.00 0.00 0.00 0.00 34.95 33.43 2yst s ARG 13 CO 0.40 -0.67 -0.63 1.19 0.00 0.00 0.00 175.30 175.59 2yst n PHE 14 N 5.32 -2.01 -0.04 5.12 3.72 -1.26 -4.65 117.46 123.66 2yst n PHE 14 Ca -0.05 0.31 -0.14 0.00 -0.05 0.00 0.00 57.45 57.52 2yst n PHE 14 Cb 0.49 -1.51 -0.08 0.00 -0.94 0.00 0.00 39.48 37.44 2yst n PHE 14 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2yst h GLU 15 N -1.45 0.33 -6.55 -1.08 5.08 -1.86 -3.45 114.58 105.60 2yst h GLU 15 Ca -0.46 -0.22 -0.69 0.00 -1.00 0.00 0.00 59.36 56.99 2yst h GLU 15 Cb 1.35 0.03 -0.25 0.00 0.50 0.00 0.00 28.75 30.38 2yst h GLU 15 CO 0.29 0.82 -0.83 0.15 -1.00 0.00 0.00 179.01 178.44 2yst s LYS 16 N -3.94 2.13 0.28 2.33 1.02 -1.26 -5.03 119.74 115.28 2yst s LYS 16 Ca -0.14 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 54.91 2yst s LYS 16 Cb 0.04 -2.16 0.40 0.00 -0.52 0.00 0.00 37.83 35.59 2yst s LYS 16 CO 0.76 0.56 1.79 0.77 -0.92 0.00 0.00 175.35 178.31 2yst h SER 17 N 4.99 0.70 -3.04 2.83 0.02 -1.94 -3.39 113.55 113.72 2yst h SER 17 Ca -0.46 -0.16 -0.56 0.00 -0.84 0.00 0.00 61.79 59.77 2yst h SER 17 Cb 1.14 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 63.10 2yst h SER 17 CO 0.47 0.76 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.47 2yst s VAL 18 N -5.01 0.57 -0.62 2.27 1.01 -1.26 -3.11 120.40 114.25 2yst s VAL 18 Ca -0.09 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.45 2yst s VAL 18 Cb 0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2yst s VAL 18 CO 0.80 -0.68 2.03 -0.31 0.00 0.00 0.00 175.10 176.94 2yst s TYR 19 N 1.78 1.50 -0.47 5.22 1.51 -0.41 -4.83 117.35 121.64 2yst s TYR 19 Ca 0.09 1.02 -0.15 0.00 -1.01 0.00 0.00 57.07 57.02 2yst s TYR 19 Cb -0.17 -3.93 0.07 0.00 -0.11 0.00 0.00 41.96 37.83 2yst s TYR 19 CO -0.29 -2.28 0.40 -2.00 -1.11 0.00 0.00 175.55 170.27 2yst s GLU 20 N 7.43 2.98 0.53 -0.62 2.12 -1.26 -1.94 118.70 127.94 2yst s GLU 20 Ca 0.76 -1.35 0.01 0.00 0.36 0.00 0.00 54.97 54.75 2yst s GLU 20 Cb -0.13 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.13 2yst s GLU 20 CO 0.19 -1.03 0.06 0.00 -0.54 0.00 0.00 175.26 173.95 2yst s ALA 21 N 1.64 4.26 -0.20 6.30 0.00 -1.17 -5.01 121.76 127.58 2yst s ALA 21 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2yst s ALA 21 Cb -0.24 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.81 2yst s ALA 21 CO 0.07 -0.08 -0.12 0.16 0.00 0.00 0.00 175.76 175.79 2yst s ASP 22 N -3.96 3.43 -0.19 0.00 -4.77 -1.26 -1.83 116.67 108.09 2yst s ASP 22 Ca 0.07 -0.88 -0.06 0.00 -3.30 0.00 0.00 52.55 48.38 2yst s ASP 22 Cb 0.00 -1.31 -0.03 0.00 -1.09 0.00 0.00 42.92 40.50 2yst s ASP 22 CO 0.04 -0.12 0.02 -0.22 0.70 0.00 0.00 175.17 175.59 2yst s LEU 23 N 1.35 3.41 0.02 2.11 1.98 -0.89 -4.95 118.68 121.70 2yst s LEU 23 Ca -0.01 -0.12 -0.30 0.00 -2.89 0.00 0.00 54.13 50.81 2yst s LEU 23 Cb -0.16 -1.86 -0.05 0.00 0.66 0.00 0.00 46.19 44.77 2yst s LEU 23 CO -0.09 0.10 1.33 0.00 -1.89 0.00 0.00 176.35 175.80 2yst s ALA 24 N 0.79 3.54 0.49 5.97 0.00 -1.26 -1.29 121.76 129.99 2yst s ALA 24 Ca 0.01 0.86 0.41 0.00 0.00 0.00 0.00 51.96 53.24 2yst s ALA 24 Cb -0.14 -3.55 2.16 0.00 0.00 0.00 0.00 23.12 21.59 2yst s ALA 24 CO 0.02 -0.76 2.25 1.05 0.00 0.00 0.00 175.76 178.32 2yst h GLU 25 N 7.44 0.00 -0.40 0.00 -0.00 -1.62 0.10 114.58 120.11 2yst h GLU 25 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 2yst h GLU 25 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 2yst h GLU 25 CO 0.88 0.00 0.00 0.27 -0.00 0.00 0.00 179.01 180.16 2yst n ASN 26 N -2.99 3.45 -4.73 3.06 6.94 -1.26 -3.59 115.26 116.13 2yst n ASN 26 Ca -0.02 -1.98 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 2yst n ASN 26 Cb 0.10 -0.26 -0.01 0.00 -2.36 0.00 0.00 39.78 37.25 2yst n ASN 26 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2yst n SER 27 N 1.45 3.60 -4.81 0.53 3.41 0.35 -4.96 113.62 113.20 2yst n SER 27 Ca 0.19 1.16 -0.30 0.00 -0.26 0.00 0.00 58.87 59.66 2yst n SER 27 Cb 0.59 -1.56 0.09 0.00 -0.26 0.00 0.00 64.21 63.07 2yst n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yst s ALA 28 N -0.21 2.26 -0.69 7.33 0.00 -1.26 -4.18 121.76 125.00 2yst s ALA 28 Ca 0.63 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 2yst s ALA 28 Cb -0.52 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2yst s ALA 28 CO 0.51 -1.74 1.88 -1.25 0.00 0.00 0.00 175.76 175.17 2yst s PRO 29 N -5.18 2.61 0.00 0.00 0.04 -1.26 -2.40 135.00 128.80 2yst s PRO 29 Ca 0.61 0.37 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2yst s PRO 29 Cb -0.14 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.83 2yst s PRO 29 CO 0.54 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 175.08 2yst n GLY 30 N 6.01 0.77 3.68 0.56 0.00 0.40 -4.82 105.19 111.79 2yst n GLY 30 Ca 0.26 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.81 2yst n GLY 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yst n THR 31 N 0.00 0.34 -2.14 2.61 -1.04 -1.01 -4.37 114.28 108.66 2yst n THR 31 Ca 0.00 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 2yst n THR 31 Cb 0.00 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 66.72 2yst n THR 31 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2yst s PRO 32 N 2.72 4.14 -0.02 -2.82 0.04 -1.26 -1.04 135.00 136.75 2yst s PRO 32 Ca 0.86 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.85 2yst s PRO 32 Cb -0.67 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 29.94 2yst s PRO 32 CO 0.45 -0.87 -0.02 0.82 0.04 0.00 0.00 177.00 177.42 2yst h ILE 33 N 5.63 0.00 -2.55 0.56 2.04 -1.10 -3.48 117.51 118.61 2yst h ILE 33 Ca -0.35 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2yst h ILE 33 Cb 1.15 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.08 2yst h ILE 33 CO 0.97 0.00 0.28 -1.48 0.00 0.00 0.00 178.15 177.91 2yst s LEU 34 N -5.00 -0.54 -0.27 1.44 0.05 -0.79 -5.01 118.68 108.56 2yst s LEU 34 Ca -0.02 0.19 -0.07 0.00 0.05 0.00 0.00 54.13 54.29 2yst s LEU 34 Cb 0.00 2.43 -0.01 0.00 -2.05 0.00 0.00 46.19 46.57 2yst s LEU 34 CO 0.02 -0.78 0.06 -1.58 -0.55 0.00 0.00 176.35 173.52 2yst s GLN 35 N -2.89 3.34 0.11 1.48 0.74 -1.26 -0.95 119.66 120.23 2yst s GLN 35 Ca -0.01 -0.69 -0.31 0.00 0.05 0.00 0.00 55.36 54.40 2yst s GLN 35 Cb -0.01 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.70 2yst s GLN 35 CO -0.06 -0.32 1.80 -0.51 -0.55 0.00 0.00 175.29 175.65 2yst s LEU 36 N 1.54 4.39 0.16 3.68 1.43 -0.83 -4.99 118.68 124.07 2yst s LEU 36 Ca 0.04 2.70 0.10 0.00 -1.03 0.00 0.00 54.13 55.95 2yst s LEU 36 Cb -0.16 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 2yst s LEU 36 CO 0.02 -0.99 -0.23 -0.13 0.23 0.00 0.00 176.35 175.26 2yst s ARG 37 N 2.83 1.39 -0.24 1.70 0.52 -1.26 -4.86 118.95 119.03 2yst s ARG 37 Ca 0.80 -1.42 0.14 0.00 -0.52 0.00 0.00 55.73 54.73 2yst s ARG 37 Cb -0.45 -1.68 0.46 0.00 0.52 0.00 0.00 34.95 33.81 2yst s ARG 37 CO 0.36 0.37 1.17 0.00 0.02 0.00 0.00 175.30 177.22 2yst n ALA 38 N 0.51 3.84 -0.56 2.13 0.00 -1.26 -3.19 120.51 121.97 2yst n ALA 38 Ca -0.15 -3.27 -0.08 0.00 0.00 0.00 0.00 53.44 49.94 2yst n ALA 38 Cb 0.55 -0.52 0.13 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.62 -2.33 -2.26 0.00 0.00 -1.26 -3.98 120.51 110.05 2yst n ALA 39 Ca 0.26 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.86 2yst n ALA 39 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 20.27 2yst n ALA 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2yst n ASP 40 N -1.72 -4.59 -3.61 0.00 2.03 -1.26 -4.81 116.55 102.59 2yst n ASP 40 Ca 0.06 -0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.30 2yst n ASP 40 Cb 0.27 -3.72 -0.08 0.00 -0.72 0.00 0.00 41.12 36.86 2yst n ASP 40 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2yst s LEU 41 N -4.35 -0.72 -0.39 -2.67 1.43 -1.26 -4.91 118.68 105.82 2yst s LEU 41 Ca 0.00 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.06 2yst s LEU 41 Cb 0.00 1.46 0.00 0.00 0.03 0.00 0.00 46.19 47.68 2yst s LEU 41 CO 0.00 -0.24 0.25 0.47 0.23 0.00 0.00 176.35 177.06 2yst n ASP 42 N 5.40 -2.98 -2.42 2.29 8.00 -1.26 -3.29 116.55 122.29 2yst n ASP 42 Ca -0.08 -0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.27 2yst n ASP 42 Cb 0.49 -1.70 -0.00 0.00 -0.02 0.00 0.00 41.12 39.89 2yst n ASP 42 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2yst n VAL 43 N -3.35 -0.14 -0.62 2.53 0.24 -1.26 -2.87 118.33 112.86 2yst n VAL 43 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2yst n VAL 43 Cb 0.52 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 2yst n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2yst n GLY 44 N -0.55 0.24 3.78 7.63 0.00 -1.21 -5.07 105.19 110.01 2yst n GLY 44 Ca -0.04 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.31 4.25 0.26 1.61 0.11 -1.14 -4.93 120.40 119.25 2yst s VAL 45 Ca 0.00 1.78 0.05 0.00 -2.93 0.00 0.00 61.98 60.88 2yst s VAL 45 Cb 0.00 -4.03 0.33 0.00 -1.53 0.00 0.00 36.38 31.15 2yst s VAL 45 CO 0.00 0.20 1.26 -3.20 -3.33 0.00 0.00 175.10 170.04 2yst n ASN 46 N 0.72 -0.01 0.00 3.54 2.85 -1.26 -4.65 115.26 116.46 2yst n ASN 46 Ca 0.01 1.36 0.00 0.00 -0.11 0.00 0.00 54.58 55.84 2yst n ASN 46 Cb 0.50 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 40.98 2yst n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2yst n GLY 47 N -1.36 -0.06 1.91 8.20 0.00 -1.26 -5.04 105.19 107.59 2yst n GLY 47 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.53 -4.62 1.61 6.02 -1.26 -4.90 117.38 117.76 2yst n GLN 48 Ca 0.00 -2.80 -0.33 0.00 -0.01 0.00 0.00 57.00 53.86 2yst n GLN 48 Cb 0.00 -2.14 -0.13 0.00 1.02 0.00 0.00 30.24 28.98 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 -2.76 3.42 0.76 5.09 -1.09 -1.26 -4.35 121.20 121.00 2yst s ILE 49 Ca 0.50 -0.53 -0.08 0.00 -2.23 0.00 0.00 60.65 58.31 2yst s ILE 49 Cb 0.40 -2.46 0.16 0.00 -1.58 0.00 0.00 42.46 38.98 2yst s ILE 49 CO 0.13 0.51 1.03 -0.62 -1.23 0.00 0.00 174.94 174.76 2yst n GLU 50 N 3.49 -0.63 -3.21 2.79 -0.58 -0.94 -4.90 120.64 116.66 2yst n GLU 50 Ca -0.18 -2.07 -0.00 0.00 -0.42 0.00 0.00 57.16 54.50 2yst n GLU 50 Cb 0.53 -0.91 -0.03 0.00 -0.57 0.00 0.00 31.44 30.45 2yst n GLU 50 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2yst s TYR 51 N -3.15 -1.46 0.43 -0.32 1.51 -1.24 -3.91 117.35 109.21 2yst s TYR 51 Ca 0.62 1.19 0.03 0.00 -1.01 0.00 0.00 57.07 57.90 2yst s TYR 51 Cb -0.02 0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 42.09 2yst s TYR 51 CO 0.43 -0.93 0.05 0.14 -1.11 0.00 0.00 175.55 174.13 2yst s VAL 52 N 2.75 1.13 -0.80 0.71 -7.23 -0.97 -3.37 120.40 112.62 2yst s VAL 52 Ca 0.15 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.08 2yst s VAL 52 Cb -0.13 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.39 2yst s VAL 52 CO -0.23 0.00 1.22 -0.36 -0.31 0.00 0.00 175.10 175.42 2yst s PHE 53 N -3.03 2.52 0.00 2.82 0.08 -1.26 -1.57 117.98 117.53 2yst s PHE 53 Ca 0.22 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.78 2yst s PHE 53 Cb 0.05 -4.53 0.00 0.00 -0.57 0.00 0.00 43.02 37.97 2yst s PHE 53 CO 0.11 -1.88 0.41 0.41 -0.10 0.00 0.00 175.22 174.17 2yst n GLY 54 N 5.71 -2.90 2.73 4.36 0.00 0.82 -4.35 105.19 111.57 2yst n GLY 54 Ca 0.10 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.04 4.57 -2.85 4.61 0.00 -0.98 -4.97 120.51 119.86 2yst n ALA 55 Ca 0.00 -4.73 -0.22 0.00 0.00 0.00 0.00 53.44 48.49 2yst n ALA 55 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.13 3.67 0.08 0.00 0.00 -1.26 -3.56 121.76 117.56 2yst s ALA 56 Ca 0.44 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2yst s ALA 56 Cb 0.22 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2yst s ALA 56 CO -0.08 0.24 0.22 -0.08 0.00 0.00 0.00 175.76 176.07 2yst s THR 57 N -2.10 5.37 0.23 0.00 -1.32 -1.26 -4.97 115.64 111.58 2yst s THR 57 Ca 0.33 -0.45 -0.11 0.00 -1.21 0.00 0.00 61.69 60.25 2yst s THR 57 Cb -0.08 -3.65 0.28 0.00 -1.51 0.00 0.00 72.50 67.55 2yst s THR 57 CO 0.26 0.09 1.62 -0.08 -2.21 0.00 0.00 174.62 174.30 2yst h GLU 58 N 2.90 0.03 -0.42 7.08 4.57 -2.00 0.87 114.58 127.61 2yst h GLU 58 Ca -0.46 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.84 2yst h GLU 58 Cb 1.17 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2yst h GLU 58 CO 0.74 0.02 0.34 0.77 -1.18 0.00 0.00 179.01 179.70 2yst h SER 59 N 0.03 0.00 0.13 1.04 0.02 -2.00 0.55 113.55 113.32 2yst h SER 59 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2yst h SER 59 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2yst h SER 59 CO -0.72 0.00 -0.27 0.52 -1.14 0.00 0.00 176.83 175.22 2yst n VAL 60 N -4.20 0.00 -0.07 2.27 0.31 0.28 -3.27 118.33 113.66 2yst n VAL 60 Ca 0.07 -0.19 -0.21 0.00 -0.01 0.00 0.00 64.34 64.00 2yst n VAL 60 Cb 0.53 0.68 -0.13 0.00 -0.91 0.00 0.00 33.84 34.01 2yst n VAL 60 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2yst n ARG 61 N -0.31 0.68 0.21 5.55 1.74 0.18 -3.36 116.66 121.36 2yst n ARG 61 Ca 0.12 0.27 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 2yst n ARG 61 Cb 0.39 -1.63 0.17 0.00 -1.02 0.00 0.00 32.46 30.37 2yst n ARG 61 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2yst h ARG 62 N -0.22 0.00 0.00 5.56 -0.00 -1.38 -3.18 114.38 115.16 2yst h ARG 62 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 2yst h ARG 62 Cb 1.85 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.82 2yst h ARG 62 CO -0.07 0.00 -0.88 -0.11 -0.00 0.00 0.00 179.97 178.91 2yst n LEU 63 N -3.05 0.69 -4.01 0.08 7.94 -1.20 -4.06 117.00 113.39 2yst n LEU 63 Ca 0.04 0.17 -0.15 0.00 -1.11 0.00 0.00 56.01 54.96 2yst n LEU 63 Cb 0.53 -0.12 -0.13 0.00 0.53 0.00 0.00 43.42 44.23 2yst n LEU 63 CO 0.34 -0.05 -0.40 -0.76 -1.11 0.00 0.00 177.39 175.41 2yst s LEU 64 N -4.40 2.12 -0.10 -1.96 1.43 -1.20 -2.52 118.68 112.04 2yst s LEU 64 Ca 0.03 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2yst s LEU 64 Cb 0.13 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 46.11 2yst s LEU 64 CO 0.77 -0.06 -0.18 -0.60 0.23 0.00 0.00 176.35 176.51 2yst s ARG 65 N -0.78 3.10 -0.11 1.70 6.06 -0.31 -4.54 118.95 124.06 2yst s ARG 65 Ca -0.03 -0.78 0.01 0.00 -2.50 0.00 0.00 55.73 52.43 2yst s ARG 65 Cb -0.06 -2.44 0.02 0.00 0.06 0.00 0.00 34.95 32.53 2yst s ARG 65 CO 0.00 0.26 -0.14 -1.17 -2.50 0.00 0.00 175.30 171.75 2yst s LEU 66 N 0.19 1.65 -0.34 -0.88 2.96 -1.26 -1.93 118.68 119.06 2yst s LEU 66 Ca -0.11 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.23 2yst s LEU 66 Cb -0.16 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 2yst s LEU 66 CO 0.06 -0.01 0.40 -0.62 -1.32 0.00 0.00 176.35 174.86 2yst s ASP 67 N 1.11 6.21 0.03 3.68 -1.08 -0.57 -4.96 116.67 121.09 2yst s ASP 67 Ca -0.04 -0.18 -0.21 0.00 -0.52 0.00 0.00 52.55 51.59 2yst s ASP 67 Cb -0.14 -2.21 -0.16 0.00 -1.46 0.00 0.00 42.92 38.94 2yst s ASP 67 CO -0.03 -0.37 1.31 -0.08 0.52 0.00 0.00 175.17 176.51 2yst h GLU 68 N 8.46 0.32 0.21 4.34 4.81 -1.87 0.99 114.58 131.83 2yst h GLU 68 Ca -0.29 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2yst h GLU 68 Cb 1.14 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2yst h GLU 68 CO 0.71 0.74 -0.37 1.15 -0.73 0.00 0.00 179.01 180.51 2yst h THR 69 N -0.09 0.00 -0.02 0.32 2.02 -1.93 -3.19 112.91 110.03 2yst h THR 69 Ca 0.02 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.00 2yst h THR 69 Cb 0.70 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2yst h THR 69 CO 0.04 0.00 -0.75 0.77 0.37 0.00 0.00 175.52 175.95 2yst h SER 70 N -0.62 0.68 -0.74 4.18 4.64 -1.96 -3.48 113.55 116.26 2yst h SER 70 Ca -0.02 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 2yst h SER 70 Cb 0.58 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2yst h SER 70 CO -0.14 1.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 2yst n GLY 71 N 1.02 0.69 3.57 -0.77 0.00 0.34 -4.99 105.19 105.06 2yst n GLY 71 Ca -0.10 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.16 2.51 -0.10 1.61 0.52 -1.02 -1.96 118.94 118.34 2yst s TRP 72 Ca 0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 55.80 2yst s TRP 72 Cb 0.00 -1.16 0.04 0.00 -1.15 0.00 0.00 33.47 31.20 2yst s TRP 72 CO 0.00 0.64 0.02 -1.17 0.02 0.00 0.00 176.95 176.46 2yst s LEU 73 N -3.62 0.63 0.32 2.99 0.20 -0.12 -1.51 118.68 117.58 2yst s LEU 73 Ca 0.31 -0.25 0.06 0.00 0.69 0.00 0.00 54.13 54.94 2yst s LEU 73 Cb -0.05 -0.42 -0.03 0.00 -0.43 0.00 0.00 46.19 45.26 2yst s LEU 73 CO 0.18 -0.23 0.29 -0.94 -0.29 0.00 0.00 176.35 175.35 2yst s SER 74 N 1.98 1.46 0.22 3.68 1.04 -0.81 -0.45 113.70 120.82 2yst s SER 74 Ca 0.04 -1.70 -0.23 0.00 0.48 0.00 0.00 55.95 54.53 2yst s SER 74 Cb -0.13 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.45 2yst s SER 74 CO -0.06 -1.07 0.79 -0.69 0.98 0.00 0.00 173.24 173.19 2yst s VAL 75 N -3.46 4.41 -0.17 5.02 1.01 -0.21 -1.16 120.40 125.83 2yst s VAL 75 Ca 0.40 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.95 2yst s VAL 75 Cb 0.02 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 2yst s VAL 75 CO 0.26 0.34 -0.16 -0.11 0.00 0.00 0.00 175.10 175.42 2yst n LEU 76 N 1.08 2.87 -4.30 3.92 7.94 -1.05 0.15 117.00 127.61 2yst n LEU 76 Ca -0.03 -0.07 -0.17 0.00 -1.11 0.00 0.00 56.01 54.63 2yst n LEU 76 Cb 0.50 -0.60 -0.10 0.00 0.53 0.00 0.00 43.42 43.75 2yst n LEU 76 CO 0.45 0.76 -0.43 -1.00 -1.11 0.00 0.00 177.39 176.06 2yst s HIS 77 N -2.34 1.52 1.02 1.96 3.76 -1.22 -4.48 115.29 115.51 2yst s HIS 77 Ca -0.23 -0.64 -0.20 0.00 -0.15 0.00 0.00 55.06 53.84 2yst s HIS 77 Cb 0.06 -0.73 -0.07 0.00 1.11 0.00 0.00 32.58 32.95 2yst s HIS 77 CO 0.39 0.24 -0.63 0.54 -0.85 0.00 0.00 174.74 174.43 2yst n ARG 78 N -0.22 -0.49 -4.01 1.40 1.74 -1.26 -4.59 116.66 109.23 2yst n ARG 78 Ca -0.10 -0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 56.77 2yst n ARG 78 Cb 0.60 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.61 2yst n ARG 78 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2yst s ILE 79 N -2.13 0.17 -0.10 0.55 1.01 -1.26 -5.00 121.20 114.44 2yst s ILE 79 Ca 0.46 -1.42 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 2yst s ILE 79 Cb -0.07 -1.11 0.04 0.00 0.01 0.00 0.00 42.46 41.32 2yst s ILE 79 CO 0.70 -0.78 0.25 -0.62 0.00 0.00 0.00 174.94 174.49 2yst s ASP 80 N -2.44 -0.27 0.23 3.58 2.15 -1.24 -4.49 116.67 114.19 2yst s ASP 80 Ca -0.00 0.52 -0.07 0.00 0.43 0.00 0.00 52.55 53.43 2yst s ASP 80 Cb 0.02 0.46 0.20 0.00 -0.30 0.00 0.00 42.92 43.30 2yst s ASP 80 CO -0.07 -0.13 1.80 -0.09 -0.17 0.00 0.00 175.17 176.51 2yst h ARG 81 N 6.55 1.16 0.26 4.34 1.12 -1.79 -1.91 114.38 124.10 2yst h ARG 81 Ca -0.34 -0.20 -0.01 0.00 -1.11 0.00 0.00 59.98 58.32 2yst h ARG 81 Cb 1.17 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.93 2yst h ARG 81 CO 0.36 0.93 -0.30 0.93 -3.11 0.00 0.00 179.97 178.79 2yst h GLU 82 N 1.13 -0.55 -0.84 0.20 5.08 -1.98 -2.67 114.58 114.96 2yst h GLU 82 Ca 0.26 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.77 2yst h GLU 82 Cb 0.20 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 2yst h GLU 82 CO -0.02 -0.37 0.47 1.05 -1.00 0.00 0.00 179.01 179.14 2yst h GLU 83 N -0.57 0.72 -3.85 2.33 4.11 -1.99 -3.40 114.58 111.93 2yst h GLU 83 Ca -0.03 -0.04 -0.39 0.00 0.07 0.00 0.00 59.36 58.97 2yst h GLU 83 Cb 0.50 -0.16 -0.35 0.00 0.50 0.00 0.00 28.75 29.25 2yst h GLU 83 CO -0.06 0.48 -0.76 0.14 0.07 0.00 0.00 179.01 178.88 2yst s VAL 84 N -6.01 0.36 -0.13 -1.06 -7.23 -0.72 -5.02 120.40 100.59 2yst s VAL 84 Ca -0.12 0.00 0.19 0.00 -1.81 0.00 0.00 61.98 60.24 2yst s VAL 84 Cb 0.20 -0.43 -0.28 0.00 0.56 0.00 0.00 36.38 36.43 2yst s VAL 84 CO 0.78 0.20 0.23 -0.46 -0.31 0.00 0.00 175.10 175.54 2yst n ASN 85 N 4.24 0.11 -3.40 4.85 0.23 -1.11 -3.72 115.26 116.46 2yst n ASN 85 Ca -0.23 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.84 2yst n ASN 85 Cb 0.51 1.39 -0.04 0.00 -2.08 0.00 0.00 39.78 39.56 2yst n ASN 85 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2yst s GLN 86 N -2.89 0.35 1.03 -3.83 0.74 -1.26 -3.17 119.66 110.62 2yst s GLN 86 Ca -0.09 0.83 -0.17 0.00 0.05 0.00 0.00 55.36 55.98 2yst s GLN 86 Cb 0.09 0.49 0.22 0.00 1.10 0.00 0.00 33.01 34.91 2yst s GLN 86 CO 0.84 -0.16 1.24 -0.51 -0.55 0.00 0.00 175.29 176.15 2yst s LEU 87 N 2.60 2.03 -0.30 3.68 1.02 -1.12 -4.98 118.68 121.61 2yst s LEU 87 Ca -0.01 0.44 -0.10 0.00 0.02 0.00 0.00 54.13 54.48 2yst s LEU 87 Cb -0.08 -2.42 0.18 0.00 0.02 0.00 0.00 46.19 43.89 2yst s LEU 87 CO -0.17 -3.13 0.98 -0.60 0.02 0.00 0.00 176.35 173.45 2yst s ARG 88 N -5.69 0.23 0.31 1.70 3.52 -1.26 -4.01 118.95 113.75 2yst s ARG 88 Ca 0.72 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 56.69 2yst s ARG 88 Cb -0.07 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 2yst s ARG 88 CO 0.54 -0.32 0.33 1.97 -0.81 0.00 0.00 175.30 177.00 2yst n PHE 89 N 5.34 -0.97 -4.44 5.12 -1.74 -1.24 -4.86 117.46 114.67 2yst n PHE 89 Ca 0.00 -2.39 -0.20 0.00 -0.56 0.00 0.00 57.45 54.30 2yst n PHE 89 Cb 0.55 0.36 -0.14 0.00 1.52 0.00 0.00 39.48 41.76 2yst n PHE 89 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2yst s THR 90 N -3.05 0.93 0.03 1.97 2.01 -1.23 -1.07 115.64 115.22 2yst s THR 90 Ca 0.32 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.77 2yst s THR 90 Cb 0.01 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 2yst s THR 90 CO 0.23 0.17 -0.19 0.68 -0.69 0.00 0.00 174.62 174.82 2yst s VAL 91 N -0.44 2.70 0.27 3.82 -7.23 -0.59 -0.12 120.40 118.81 2yst s VAL 91 Ca 0.03 -1.17 0.09 0.00 -1.81 0.00 0.00 61.98 59.13 2yst s VAL 91 Cb -0.05 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2yst s VAL 91 CO -0.00 0.37 0.05 -0.04 -0.31 0.00 0.00 175.10 175.17 2yst s MET 92 N -1.31 2.42 -0.20 4.82 -1.94 -0.61 -1.44 119.30 121.03 2yst s MET 92 Ca 0.14 -1.37 -0.05 0.00 -1.71 0.00 0.00 55.69 52.70 2yst s MET 92 Cb -0.10 -2.24 0.07 0.00 2.01 0.00 0.00 34.83 34.57 2yst s MET 92 CO 0.04 0.34 0.10 0.00 -0.01 0.00 0.00 175.02 175.50 2yst s ALA 93 N -2.30 0.47 0.62 3.03 0.00 -1.14 -2.30 121.76 120.14 2yst s ALA 93 Ca 0.32 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 2yst s ALA 93 Cb -0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2yst s ALA 93 CO 0.21 -1.30 1.02 1.03 0.00 0.00 0.00 175.76 176.71 2yst s ARG 94 N 2.13 3.47 0.36 0.00 0.52 -1.25 -3.21 118.95 120.96 2yst s ARG 94 Ca 0.04 0.64 0.07 0.00 -0.52 0.00 0.00 55.73 55.96 2yst s ARG 94 Cb -0.16 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 2yst s ARG 94 CO -0.17 -0.61 0.25 0.16 0.02 0.00 0.00 175.30 174.95 2yst s ASP 95 N -4.20 2.06 -1.08 0.23 1.47 -1.25 -2.22 116.67 111.67 2yst s ASP 95 Ca 0.55 -1.77 -0.22 0.00 1.18 0.00 0.00 52.55 52.29 2yst s ASP 95 Cb -0.11 0.58 0.05 0.00 -0.34 0.00 0.00 42.92 43.09 2yst s ASP 95 CO 0.53 -1.05 1.55 0.00 0.68 0.00 0.00 175.17 176.88 2yst s ARG 96 N -3.48 3.62 -0.28 2.11 1.70 -1.26 -4.76 118.95 116.60 2yst s ARG 96 Ca 0.36 -1.29 -0.37 0.00 -0.47 0.00 0.00 55.73 53.96 2yst s ARG 96 Cb 0.02 -5.39 0.16 0.00 -0.57 0.00 0.00 34.95 29.17 2yst s ARG 96 CO 0.25 -2.31 1.36 0.20 -1.08 0.00 0.00 175.30 173.72 2yst s GLY 97 N 4.98 -0.17 -0.08 3.88 0.00 -1.26 -5.05 107.32 109.61 2yst s GLY 97 Ca 0.49 2.00 -0.02 0.00 0.00 0.00 0.00 44.72 47.20 2yst s GLY 97 CO -0.05 0.69 0.03 -0.86 0.00 0.00 0.00 173.10 172.91 2yst s GLN 98 N -1.95 0.36 0.36 2.90 -2.07 -1.26 -0.56 119.66 117.45 2yst s GLN 98 Ca 0.11 0.11 -0.27 0.00 -1.82 0.00 0.00 55.36 53.49 2yst s GLN 98 Cb -0.01 -1.04 -0.09 0.00 -1.09 0.00 0.00 33.01 30.78 2yst s GLN 98 CO -0.03 -0.38 1.21 -1.25 -1.32 0.00 0.00 175.29 173.51 2yst s PRO 99 N 2.03 4.23 -0.44 9.60 0.04 -1.26 -5.08 135.00 144.12 2yst s PRO 99 Ca 0.04 1.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 2yst s PRO 99 Cb -0.13 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 2yst s PRO 99 CO -0.05 -0.21 1.75 -1.25 0.04 0.00 0.00 177.00 177.28 2yst s PRO 100 N -2.01 3.14 0.11 0.56 0.04 0.28 -4.95 135.00 132.16 2yst s PRO 100 Ca 0.53 1.07 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2yst s PRO 100 Cb -0.34 -4.23 -0.10 0.00 0.04 0.00 0.00 34.50 29.87 2yst s PRO 100 CO 0.44 -2.10 1.75 0.21 0.04 0.00 0.00 177.00 177.34 2yst s LYS 101 N 6.00 4.16 -0.07 4.56 2.47 -1.26 -4.73 119.74 130.87 2yst s LYS 101 Ca 0.72 2.49 0.03 0.00 -1.56 0.00 0.00 55.97 57.65 2yst s LYS 101 Cb -0.18 -3.56 -0.02 0.00 -1.46 0.00 0.00 37.83 32.61 2yst s LYS 101 CO 0.29 -0.79 -0.13 0.95 0.16 0.00 0.00 175.35 175.83 2yst s THR 102 N 2.59 3.13 -0.21 3.43 -4.23 -1.26 -3.80 115.64 115.30 2yst s THR 102 Ca 0.78 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 2yst s THR 102 Cb -0.44 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 2yst s THR 102 CO 0.35 0.58 -0.00 -0.62 -0.54 0.00 0.00 174.62 174.38 2yst s ASP 103 N -0.55 4.77 0.21 3.99 2.15 -1.20 -4.84 116.67 121.22 2yst s ASP 103 Ca 0.08 -0.23 -0.16 0.00 0.43 0.00 0.00 52.55 52.66 2yst s ASP 103 Cb -0.12 -1.82 -0.08 0.00 -0.30 0.00 0.00 42.92 40.61 2yst s ASP 103 CO 0.01 0.04 0.65 -0.54 -0.17 0.00 0.00 175.17 175.17 2yst s LYS 104 N 1.13 4.08 -0.12 4.34 1.02 -1.26 -2.87 119.74 126.06 2yst s LYS 104 Ca 0.03 0.66 -0.05 0.00 0.02 0.00 0.00 55.97 56.62 2yst s LYS 104 Cb -0.14 -2.80 0.06 0.00 -0.52 0.00 0.00 37.83 34.42 2yst s LYS 104 CO 0.01 0.37 0.27 0.00 -0.92 0.00 0.00 175.35 175.08 2yst s ALA 105 N -1.61 -0.58 -0.02 5.17 0.00 -0.52 -4.93 121.76 119.26 2yst s ALA 105 Ca 0.44 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 2yst s ALA 105 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2yst s ALA 105 CO 0.20 -0.49 1.17 0.99 0.00 0.00 0.00 175.76 177.63 2yst s THR 106 N 2.01 4.29 -0.43 0.00 2.01 -1.18 -1.54 115.64 120.81 2yst s THR 106 Ca -0.03 1.63 -0.07 0.00 0.31 0.00 0.00 61.69 63.53 2yst s THR 106 Cb -0.11 -4.04 0.10 0.00 0.01 0.00 0.00 72.50 68.45 2yst s THR 106 CO -0.09 0.05 0.26 -0.69 -0.69 0.00 0.00 174.62 173.46 2yst s VAL 107 N 1.77 3.94 -0.80 3.82 1.01 -0.23 -1.29 120.40 128.63 2yst s VAL 107 Ca 0.56 -1.67 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 2yst s VAL 107 Cb -0.25 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.72 2yst s VAL 107 CO 0.24 -0.61 0.99 -0.69 0.00 0.00 0.00 175.10 175.03 2yst s VAL 108 N 1.33 4.69 -0.38 2.92 1.01 -0.82 -3.59 120.40 125.56 2yst s VAL 108 Ca 0.05 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 2yst s VAL 108 Cb -0.24 -4.69 0.01 0.00 0.00 0.00 0.00 36.38 31.47 2yst s VAL 108 CO -0.00 -1.40 0.83 -0.76 0.00 0.00 0.00 175.10 173.76 2yst s LEU 109 N 2.89 4.10 -0.45 3.92 1.43 -1.26 -3.06 118.68 126.26 2yst s LEU 109 Ca 0.25 0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 53.47 2yst s LEU 109 Cb -0.12 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.04 2yst s LEU 109 CO -0.02 -0.80 0.79 0.20 0.23 0.00 0.00 176.35 176.75 2yst s ASN 110 N 1.91 6.42 -0.05 2.29 0.01 -0.76 -2.78 114.94 121.98 2yst s ASN 110 Ca 0.33 -0.07 -0.30 0.00 -0.71 0.00 0.00 52.86 52.12 2yst s ASN 110 Cb -0.13 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 2yst s ASN 110 CO 0.19 -0.92 1.47 -0.63 -1.51 0.00 0.00 177.10 175.70 2yst s ILE 111 N 3.31 3.76 0.49 0.60 -1.09 -1.19 -2.11 121.20 124.98 2yst s ILE 111 Ca 0.30 1.03 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 2yst s ILE 111 Cb -0.12 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 2yst s ILE 111 CO 0.23 -0.05 0.53 -0.54 -1.23 0.00 0.00 174.94 173.88 2yst s LYS 112 N 3.22 2.45 -0.15 2.79 -0.14 -0.41 -4.90 119.74 122.61 2yst s LYS 112 Ca 0.66 -1.64 0.02 0.00 -1.36 0.00 0.00 55.97 53.65 2yst s LYS 112 Cb -0.30 -2.45 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 2yst s LYS 112 CO 0.25 -0.50 -0.21 0.34 -0.76 0.00 0.00 175.35 174.47 2yst s ASP 113 N -4.35 3.10 -0.11 2.83 -1.08 -1.26 -1.53 116.67 114.27 2yst s ASP 113 Ca 0.50 -0.61 -0.08 0.00 -0.52 0.00 0.00 52.55 51.83 2yst s ASP 113 Cb -0.05 -1.44 -0.05 0.00 -1.46 0.00 0.00 42.92 39.92 2yst s ASP 113 CO 0.30 0.06 -0.19 1.21 0.52 0.00 0.00 175.17 177.07 2yst n GLU 114 N 4.17 0.30 0.20 4.34 4.07 -1.26 -4.76 120.64 127.71 2yst n GLU 114 Ca -0.20 0.13 -0.17 0.00 -0.06 0.00 0.00 57.16 56.86 2yst n GLU 114 Cb 0.51 -1.02 -0.09 0.00 -0.06 0.00 0.00 31.44 30.78 2yst n GLU 114 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2yst h ASN 115 N -0.54 -1.41 -3.59 4.31 -0.73 -1.97 -3.41 115.58 108.25 2yst h ASN 115 Ca -0.22 0.13 -0.51 0.00 1.87 0.00 0.00 56.30 57.57 2yst h ASN 115 Cb 0.99 0.50 0.00 0.00 0.27 0.00 0.00 38.32 40.08 2yst h ASN 115 CO -0.13 -0.59 0.46 -0.62 -0.37 0.00 0.00 177.43 176.18 2yst s ASP 116 N -4.54 7.30 -0.19 1.15 -1.08 -1.26 -4.98 116.67 113.08 2yst s ASP 116 Ca -0.17 2.07 -0.16 0.00 -0.52 0.00 0.00 52.55 53.77 2yst s ASP 116 Cb 0.06 -2.60 -0.07 0.00 -1.46 0.00 0.00 42.92 38.85 2yst s ASP 116 CO 0.61 -0.18 -0.31 -0.46 0.52 0.00 0.00 175.17 175.35 2yst n ASN 117 N 2.28 1.92 -4.49 -0.34 0.23 -1.26 -4.89 115.26 108.70 2yst n ASN 117 Ca 0.02 0.38 -0.48 0.00 -0.53 0.00 0.00 54.58 53.97 2yst n ASN 117 Cb 0.46 -0.78 -0.03 0.00 -2.08 0.00 0.00 39.78 37.35 2yst n ASN 117 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2yst n VAL 118 N -4.46 1.57 0.98 3.53 0.31 -1.26 -5.12 118.33 113.89 2yst n VAL 118 Ca -0.18 -0.39 0.08 0.00 -0.01 0.00 0.00 64.34 63.83 2yst n VAL 118 Cb 0.53 -0.42 0.47 0.00 -0.91 0.00 0.00 33.84 33.50 2yst n VAL 118 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70