#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6s s ASN 2 N 0.00 -0.80 -0.34 3.17 2.47 -1.26 -5.06 114.94 113.12 1p6s s ASN 2 Ca 0.00 1.37 0.15 0.00 0.42 0.00 0.00 52.86 54.80 1p6s s ASN 2 Cb 0.00 1.30 0.43 0.00 -1.45 0.00 0.00 41.25 41.53 1p6s s ASN 2 CO 0.00 -0.23 1.33 -1.84 -3.72 0.00 0.00 177.10 172.64 1p6s n GLU 3 N 3.73 1.36 -4.84 0.43 0.28 -1.26 -5.11 120.64 115.23 1p6s n GLU 3 Ca -0.18 -2.11 -0.26 0.00 -0.16 0.00 0.00 57.16 54.44 1p6s n GLU 3 Cb 0.57 -0.33 -0.16 0.00 1.43 0.00 0.00 31.44 32.95 1p6s n GLU 3 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1p6s s VAL 4 N -1.07 1.45 0.77 3.84 1.01 -1.26 -5.05 120.40 120.09 1p6s s VAL 4 Ca 0.19 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1p6s s VAL 4 Cb 0.41 -1.25 0.17 0.00 0.00 0.00 0.00 36.38 35.70 1p6s s VAL 4 CO -0.08 0.42 1.05 -1.54 0.00 0.00 0.00 175.10 174.95 1p6s n SER 5 N 3.27 0.71 -4.64 3.32 3.41 -1.26 -4.79 113.62 113.63 1p6s n SER 5 Ca -0.19 -1.76 -0.35 0.00 -0.26 0.00 0.00 58.87 56.31 1p6s n SER 5 Cb 0.53 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 1p6s n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1p6s s VAL 6 N -3.20 4.19 -0.18 -3.33 1.01 -1.26 -0.69 120.40 116.94 1p6s s VAL 6 Ca 0.64 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.44 1p6s s VAL 6 Cb -0.03 -2.77 -0.18 0.00 0.00 0.00 0.00 36.38 33.40 1p6s s VAL 6 CO 0.44 0.59 -0.02 -0.38 0.00 0.00 0.00 175.10 175.73 1p6s n ILE 7 N 2.38 1.16 -3.72 2.22 -0.00 0.19 -4.83 119.36 116.76 1p6s n ILE 7 Ca -0.18 -0.63 -0.13 0.00 -0.00 0.00 0.00 62.75 61.81 1p6s n ILE 7 Cb 0.53 -0.77 -0.10 0.00 -0.00 0.00 0.00 39.64 39.31 1p6s n ILE 7 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1p6s s LYS 8 N -2.41 0.53 -0.05 0.38 2.47 -1.07 -4.99 119.74 114.61 1p6s s LYS 8 Ca -0.14 0.64 0.03 0.00 -1.56 0.00 0.00 55.97 54.94 1p6s s LYS 8 Cb 0.06 0.25 0.01 0.00 -1.46 0.00 0.00 37.83 36.68 1p6s s LYS 8 CO 0.62 -0.07 -0.12 -1.21 0.16 0.00 0.00 175.35 174.73 1p6s s GLU 9 N 0.28 1.46 0.17 4.03 8.01 -1.26 0.46 118.70 131.85 1p6s s GLU 9 Ca -0.00 -0.43 -0.24 0.00 0.01 0.00 0.00 54.97 54.31 1p6s s GLU 9 Cb -0.03 -1.27 0.06 0.00 -4.31 0.00 0.00 34.13 28.58 1p6s s GLU 9 CO 0.00 0.12 0.82 0.20 0.01 0.00 0.00 175.26 176.41 1p6s s GLY 10 N 0.33 -0.27 -0.18 -1.39 0.00 -0.80 -5.02 107.32 100.00 1p6s s GLY 10 Ca -0.08 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.73 1p6s s GLY 10 CO 0.02 0.04 0.05 -0.98 0.00 0.00 0.00 173.10 172.23 1p6s s TRP 11 N -3.53 3.23 0.27 1.90 0.52 -1.26 0.50 118.94 120.57 1p6s s TRP 11 Ca 0.09 0.03 0.09 0.00 0.02 0.00 0.00 56.10 56.33 1p6s s TRP 11 Cb -0.03 -2.07 -0.05 0.00 -1.15 0.00 0.00 33.47 30.17 1p6s s TRP 11 CO 0.00 0.13 -0.12 -0.51 0.02 0.00 0.00 176.95 176.47 1p6s s LEU 12 N 0.39 2.57 -0.17 2.99 1.43 0.55 -4.34 118.68 122.09 1p6s s LEU 12 Ca 0.02 -1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 51.93 1p6s s LEU 12 Cb -0.13 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1p6s s LEU 12 CO 0.00 -0.19 0.10 -1.00 0.23 0.00 0.00 176.35 175.50 1p6s s HIS 13 N -2.82 3.38 -0.04 0.29 3.76 0.21 0.84 115.29 120.91 1p6s s HIS 13 Ca 0.28 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.52 1p6s s HIS 13 Cb 0.00 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 1p6s s HIS 13 CO 0.12 0.34 -0.20 0.21 -0.85 0.00 0.00 174.74 174.36 1p6s s LYS 14 N 0.05 2.00 0.54 1.40 2.36 0.14 0.03 119.74 126.27 1p6s s LYS 14 Ca 0.08 -0.72 -0.21 0.00 -2.55 0.00 0.00 55.97 52.57 1p6s s LYS 14 Cb -0.12 -1.75 -0.05 0.00 -1.05 0.00 0.00 37.83 34.86 1p6s s LYS 14 CO -0.00 0.31 1.23 0.50 1.55 0.00 0.00 175.35 178.94 1p6s s ARG 15 N -0.10 3.27 0.00 4.03 3.52 -1.26 -0.25 118.95 128.17 1p6s s ARG 15 Ca -0.02 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 1p6s s ARG 15 Cb -0.12 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1p6s s ARG 15 CO 0.02 -0.98 0.00 0.41 -0.81 0.00 0.00 175.30 173.94 1p6s n GLY 16 N 0.53 -1.96 0.06 8.12 0.00 -0.95 -4.84 105.19 106.15 1p6s n GLY 16 Ca 0.11 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 1p6s n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p6s h GLU 17 N 0.00 0.00 0.00 1.61 3.07 -1.95 -3.44 114.58 113.87 1p6s h GLU 17 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1p6s h GLU 17 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1p6s h GLU 17 CO 0.00 0.58 -0.72 2.48 -1.40 0.00 0.00 179.01 179.95 1p6s n TYR 18 N -4.68 0.00 -1.85 4.33 0.18 -1.26 -5.06 117.16 108.82 1p6s n TYR 18 Ca -0.06 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.35 1p6s n TYR 18 Cb 0.28 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.28 1p6s n TYR 18 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1p6s s ILE 19 N -1.60 2.24 -0.89 -3.48 2.07 -1.26 -4.89 121.20 113.40 1p6s s ILE 19 Ca 0.00 0.17 -0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1p6s s ILE 19 Cb 0.00 -3.08 0.06 0.00 0.13 0.00 0.00 42.46 39.57 1p6s s ILE 19 CO 0.00 -0.02 2.65 1.17 -1.91 0.00 0.00 174.94 176.83 1p6s n LYS 20 N -1.29 3.48 -3.87 3.50 4.81 -1.26 -4.32 118.16 119.20 1p6s n LYS 20 Ca 0.12 -2.79 -0.11 0.00 -0.87 0.00 0.00 58.31 54.66 1p6s n LYS 20 Cb 0.47 -2.39 -0.10 0.00 0.02 0.00 0.00 35.03 33.02 1p6s n LYS 20 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1p6s s THR 21 N -1.36 0.08 -0.21 3.15 2.01 -1.26 -5.07 115.64 112.97 1p6s s THR 21 Ca 0.58 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 1p6s s THR 21 Cb 0.28 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1p6s s THR 21 CO -0.14 -0.37 0.07 0.26 -0.69 0.00 0.00 174.62 173.75 1p6s s TRP 22 N -1.32 3.18 0.01 4.92 0.52 -1.26 -2.24 118.94 122.74 1p6s s TRP 22 Ca -0.14 -0.10 -0.01 0.00 0.02 0.00 0.00 56.10 55.86 1p6s s TRP 22 Cb -0.07 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 1p6s s TRP 22 CO 0.01 -0.06 0.15 1.03 0.02 0.00 0.00 176.95 178.11 1p6s s ARG 23 N 0.92 3.29 0.37 4.98 1.81 0.66 -4.73 118.95 126.26 1p6s s ARG 23 Ca 0.04 -0.41 -0.26 0.00 -1.72 0.00 0.00 55.73 53.38 1p6s s ARG 23 Cb -0.14 -3.00 -0.09 0.00 -0.45 0.00 0.00 34.95 31.28 1p6s s ARG 23 CO 0.03 0.65 1.13 -1.25 -0.68 0.00 0.00 175.30 175.18 1p6s s PRO 24 N -1.97 4.22 -0.01 3.54 0.04 -1.26 0.26 135.00 139.82 1p6s s PRO 24 Ca 0.27 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1p6s s PRO 24 Cb -0.12 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1p6s s PRO 24 CO 0.19 -0.16 0.09 1.03 0.04 0.00 0.00 177.00 178.19 1p6s s ARG 25 N -2.15 0.30 -0.31 4.56 0.52 0.25 -4.82 118.95 117.29 1p6s s ARG 25 Ca 0.54 -0.23 -0.26 0.00 -0.52 0.00 0.00 55.73 55.27 1p6s s ARG 25 Cb -0.29 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.31 1p6s s ARG 25 CO 0.37 -0.06 0.91 -0.47 0.02 0.00 0.00 175.30 176.06 1p6s s TYR 26 N -0.82 3.18 0.07 -0.53 5.04 0.86 -0.33 117.35 124.82 1p6s s TYR 26 Ca -0.09 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1p6s s TYR 26 Cb -0.05 -3.41 -0.04 0.00 0.35 0.00 0.00 41.96 38.81 1p6s s TYR 26 CO 0.00 -0.65 0.18 -0.06 -1.34 0.00 0.00 175.55 173.69 1p6s s PHE 27 N 3.24 3.44 -0.04 4.97 0.40 0.18 0.32 117.98 130.49 1p6s s PHE 27 Ca 0.38 0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1p6s s PHE 27 Cb -0.13 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.70 1p6s s PHE 27 CO 0.13 0.57 0.04 -0.51 0.70 0.00 0.00 175.22 176.16 1p6s s LEU 28 N -2.49 0.42 -0.16 -0.37 1.02 -0.59 -1.90 118.68 114.61 1p6s s LEU 28 Ca 0.34 0.05 -0.13 0.00 0.02 0.00 0.00 54.13 54.41 1p6s s LEU 28 Cb -0.13 -0.17 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 1p6s s LEU 28 CO 0.27 -0.21 0.25 -0.22 0.02 0.00 0.00 176.35 176.45 1p6s s LEU 29 N 1.89 4.25 0.47 1.79 2.96 0.17 -2.12 118.68 128.09 1p6s s LEU 29 Ca 0.02 0.46 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1p6s s LEU 29 Cb -0.12 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 1p6s s LEU 29 CO -0.03 0.15 0.30 -0.54 -1.32 0.00 0.00 176.35 174.90 1p6s s LYS 30 N 0.29 2.30 0.00 1.98 1.02 -0.76 0.53 119.74 125.09 1p6s s LYS 30 Ca 0.15 -1.89 0.22 0.00 0.02 0.00 0.00 55.97 54.47 1p6s s LYS 30 Cb -0.13 -2.08 1.26 0.00 -0.52 0.00 0.00 37.83 36.36 1p6s s LYS 30 CO 0.03 -0.34 1.71 0.45 -0.92 0.00 0.00 175.35 176.28 1p6s n SER 31 N -1.51 0.00 0.09 2.83 2.88 0.13 -2.87 113.62 115.17 1p6s n SER 31 Ca -0.02 -0.47 0.13 0.00 -1.33 0.00 0.00 58.87 57.19 1p6s n SER 31 Cb 0.64 -0.10 0.43 0.00 -0.75 0.00 0.00 64.21 64.44 1p6s n SER 31 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1p6s n ASP 32 N -1.10 0.70 -0.04 -3.46 2.03 -1.26 -4.90 116.55 108.52 1p6s n ASP 32 Ca 0.15 0.56 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1p6s n ASP 32 Cb 0.11 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1p6s n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p6s n GLY 33 N 1.34 1.37 3.44 0.27 0.00 -1.14 -4.94 105.19 105.53 1p6s n GLY 33 Ca 0.06 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 1p6s n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p6s s SER 34 N -2.20 -0.53 -0.01 1.61 0.15 -1.26 -1.70 113.70 109.76 1p6s s SER 34 Ca 0.00 0.69 0.03 0.00 0.70 0.00 0.00 55.95 57.37 1p6s s SER 34 Cb 0.00 0.67 -0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1p6s s SER 34 CO 0.00 -0.46 -0.09 0.72 1.20 0.00 0.00 173.24 174.61 1p6s s PHE 35 N -0.81 0.85 -0.05 3.44 -0.71 0.72 -1.84 117.98 119.59 1p6s s PHE 35 Ca -0.09 -0.18 0.04 0.00 -1.04 0.00 0.00 56.93 55.66 1p6s s PHE 35 Cb -0.02 -0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 41.19 1p6s s PHE 35 CO 0.06 -0.04 -0.14 0.42 -1.34 0.00 0.00 175.22 174.18 1p6s s ILE 36 N -0.08 3.09 -0.38 -4.49 1.09 -0.90 -0.19 121.20 119.33 1p6s s ILE 36 Ca 0.01 -0.73 -0.14 0.00 -1.10 0.00 0.00 60.65 58.69 1p6s s ILE 36 Cb -0.05 -2.22 0.01 0.00 -1.06 0.00 0.00 42.46 39.14 1p6s s ILE 36 CO -0.00 0.58 0.27 -0.83 -0.10 0.00 0.00 174.94 174.86 1p6s s GLY 37 N -0.78 1.99 0.24 6.18 0.00 0.21 -1.54 107.32 113.63 1p6s s GLY 37 Ca 0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.19 1p6s s GLY 37 CO 0.01 0.86 0.50 -0.19 0.00 0.00 0.00 173.10 174.28 1p6s s TYR 38 N 1.69 3.47 0.55 1.90 2.02 0.15 -1.98 117.35 125.15 1p6s s TYR 38 Ca 0.05 0.60 0.23 0.00 -0.37 0.00 0.00 57.07 57.59 1p6s s TYR 38 Cb -0.18 -2.06 1.55 0.00 -0.40 0.00 0.00 41.96 40.86 1p6s s TYR 38 CO 0.10 0.26 2.20 1.57 -1.57 0.00 0.00 175.55 178.11 1p6s h LYS 39 N 2.02 0.00 0.00 -0.62 2.10 -1.90 0.24 116.57 118.42 1p6s h LYS 39 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1p6s h LYS 39 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1p6s h LYS 39 CO 0.68 0.01 0.00 -1.91 -2.00 0.00 0.00 179.45 176.23 1p6s n GLU 40 N -4.15 0.00 -2.19 0.07 2.13 -1.26 -4.41 120.64 110.82 1p6s n GLU 40 Ca -0.03 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.36 1p6s n GLU 40 Cb 0.10 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.78 1p6s n GLU 40 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1p6s s ARG 41 N 0.16 3.58 0.37 5.31 0.52 -1.26 -4.44 118.95 123.19 1p6s s ARG 41 Ca 0.00 1.28 -0.22 0.00 -0.52 0.00 0.00 55.73 56.27 1p6s s ARG 41 Cb 0.00 -4.07 -0.10 0.00 0.52 0.00 0.00 34.95 31.30 1p6s s ARG 41 CO 0.00 -1.56 0.90 -1.25 0.02 0.00 0.00 175.30 173.41 1p6s s PRO 42 N 5.04 4.30 0.00 3.54 0.04 -1.26 -4.87 135.00 141.79 1p6s s PRO 42 Ca 0.69 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1p6s s PRO 42 Cb -0.19 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1p6s s PRO 42 CO 0.31 0.12 0.00 -1.91 0.04 0.00 0.00 177.00 175.56 1p6s n GLU 43 N -0.16 0.00 -1.19 4.56 2.13 -1.26 -5.17 120.64 119.55 1p6s n GLU 43 Ca 0.04 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.02 1p6s n GLU 43 Cb 0.53 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.18 1p6s n GLU 43 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p6s n ALA 44 N -2.23 -3.11 -0.04 4.31 0.00 -1.26 -4.58 120.51 113.60 1p6s n ALA 44 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.88 1p6s n ALA 44 Cb 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 1p6s n ALA 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p6s h PRO 45 N -1.14 0.34 0.00 0.00 0.13 -2.02 -3.45 132.00 125.86 1p6s h PRO 45 Ca -0.07 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1p6s h PRO 45 Cb 1.12 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1p6s h PRO 45 CO 0.04 0.83 0.00 -3.47 -0.23 0.00 0.00 178.00 175.17 1p6s n ASP 46 N -4.49 0.30 -2.48 1.44 -0.08 -1.26 -5.02 116.55 104.96 1p6s n ASP 46 Ca -0.07 0.30 -0.03 0.00 -1.51 0.00 0.00 54.79 53.48 1p6s n ASP 46 Cb 0.43 0.09 0.08 0.00 2.34 0.00 0.00 41.12 44.07 1p6s n ASP 46 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1p6s n GLN 47 N -3.35 0.87 -2.95 -0.67 0.00 -1.26 -5.02 117.38 104.99 1p6s n GLN 47 Ca 0.00 -1.09 -0.27 0.00 -0.00 0.00 0.00 57.00 55.64 1p6s n GLN 47 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 30.24 30.34 1p6s n GLN 47 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1p6s n THR 48 N -0.82 3.07 -3.99 1.69 5.66 -1.26 -5.02 114.28 113.60 1p6s n THR 48 Ca -0.12 -5.58 -0.34 0.00 -3.05 0.00 0.00 64.05 54.96 1p6s n THR 48 Cb 0.76 -1.42 -0.15 0.00 -1.55 0.00 0.00 70.33 67.98 1p6s n THR 48 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1p6s s LEU 49 N -3.45 2.70 -0.03 1.09 2.34 -1.26 -4.89 118.68 115.17 1p6s s LEU 49 Ca 0.49 -0.60 -0.30 0.00 0.06 0.00 0.00 54.13 53.78 1p6s s LEU 49 Cb 0.28 -1.63 -0.02 0.00 -0.56 0.00 0.00 46.19 44.25 1p6s s LEU 49 CO -0.14 -0.04 0.99 -2.16 -1.06 0.00 0.00 176.35 173.94 1p6s s PRO 50 N 1.37 4.52 0.32 1.48 0.04 -1.26 -5.03 135.00 136.44 1p6s s PRO 50 Ca 0.04 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 1p6s s PRO 50 Cb -0.14 -3.49 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 1p6s s PRO 50 CO -0.07 -0.14 1.10 -1.25 0.04 0.00 0.00 177.00 176.69 1p6s s PRO 51 N 1.33 4.49 -0.25 0.56 0.04 -1.26 -4.97 135.00 134.95 1p6s s PRO 51 Ca 0.51 1.77 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1p6s s PRO 51 Cb -0.20 -3.02 -0.16 0.00 0.04 0.00 0.00 34.50 31.17 1p6s s PRO 51 CO 0.25 0.08 -0.08 -0.11 0.04 0.00 0.00 177.00 177.18 1p6s n LEU 52 N 0.84 1.93 -3.76 -3.56 7.94 -1.26 -4.98 117.00 114.15 1p6s n LEU 52 Ca 0.01 0.37 -0.14 0.00 -1.11 0.00 0.00 56.01 55.14 1p6s n LEU 52 Cb 0.46 -0.89 -0.15 0.00 0.53 0.00 0.00 43.42 43.37 1p6s n LEU 52 CO 0.52 0.44 -0.26 0.20 -1.11 0.00 0.00 177.39 177.18 1p6s s ASN 53 N -7.19 -0.06 -0.04 1.96 0.01 -0.84 -5.02 114.94 103.76 1p6s s ASN 53 Ca -0.34 0.23 0.06 0.00 -0.71 0.00 0.00 52.86 52.09 1p6s s ASN 53 Cb 0.11 0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.86 1p6s s ASN 53 CO 0.54 -0.14 -0.21 0.54 -1.51 0.00 0.00 177.10 176.33 1p6s s ASN 54 N 1.10 3.49 -0.11 -1.22 4.22 -1.26 0.64 114.94 121.79 1p6s s ASN 54 Ca -0.09 -0.36 0.00 0.00 -2.14 0.00 0.00 52.86 50.28 1p6s s ASN 54 Cb -0.11 -0.65 0.02 0.00 1.28 0.00 0.00 41.25 41.79 1p6s s ASN 54 CO -0.05 0.32 -0.09 -0.36 -2.04 0.00 0.00 177.10 174.87 1p6s s PHE 55 N -0.58 1.59 -0.24 1.54 0.40 0.73 -4.95 117.98 116.47 1p6s s PHE 55 Ca 0.08 -0.78 -0.08 0.00 -0.60 0.00 0.00 56.93 55.55 1p6s s PHE 55 Cb -0.11 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1p6s s PHE 55 CO 0.00 -0.50 0.10 -1.54 0.70 0.00 0.00 175.22 173.98 1p6s s SER 56 N 1.50 5.50 0.00 1.36 1.04 -1.26 -0.20 113.70 121.63 1p6s s SER 56 Ca 0.02 -0.08 0.26 0.00 0.48 0.00 0.00 55.95 56.62 1p6s s SER 56 Cb -0.13 -1.99 0.61 0.00 0.10 0.00 0.00 66.02 64.62 1p6s s SER 56 CO -0.07 0.02 1.48 0.55 0.98 0.00 0.00 173.24 176.20 1p6s n VAL 57 N 4.60 0.00 -2.02 5.02 3.14 -0.69 -4.89 118.33 123.49 1p6s n VAL 57 Ca -0.16 -0.18 -0.42 0.00 -2.96 0.00 0.00 64.34 60.62 1p6s n VAL 57 Cb 0.52 0.62 -0.03 0.00 -1.06 0.00 0.00 33.84 33.89 1p6s n VAL 57 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p6s s ALA 58 N -2.43 3.63 0.00 1.55 0.00 -1.17 -4.73 121.76 118.62 1p6s s ALA 58 Ca 0.25 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1p6s s ALA 58 Cb 0.19 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1p6s s ALA 58 CO 0.50 -1.27 0.00 0.39 0.00 0.00 0.00 175.76 175.39 1p6s n GLU 59 N 6.55 0.00 0.00 0.00 1.02 -1.26 -4.91 120.64 122.03 1p6s n GLU 59 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1p6s n GLU 59 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1p6s n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p6s s GLN 61 N 0.00 -0.03 -0.06 0.00 -0.44 -1.23 -5.02 119.66 112.88 1p6s s GLN 61 Ca 0.00 0.18 0.05 0.00 -2.50 0.00 0.00 55.36 53.09 1p6s s GLN 61 Cb 0.00 -0.23 -0.00 0.00 -1.64 0.00 0.00 33.01 31.14 1p6s s GLN 61 CO 0.00 -0.16 -0.20 -1.17 0.50 0.00 0.00 175.29 174.26 1p6s s LEU 62 N 1.00 1.96 -0.04 3.68 2.96 -1.26 -1.75 118.68 125.23 1p6s s LEU 62 Ca -0.08 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1p6s s LEU 62 Cb -0.12 -1.13 0.03 0.00 0.50 0.00 0.00 46.19 45.47 1p6s s LEU 62 CO -0.03 0.17 0.08 -0.32 -1.32 0.00 0.00 176.35 174.93 1p6s s MET 63 N 0.05 0.01 0.43 1.98 -2.45 0.11 -4.99 119.30 114.46 1p6s s MET 63 Ca -0.06 0.27 -0.14 0.00 -1.25 0.00 0.00 55.69 54.51 1p6s s MET 63 Cb -0.13 -0.23 -0.08 0.00 1.25 0.00 0.00 34.83 35.65 1p6s s MET 63 CO 0.03 -0.17 0.85 -1.59 1.05 0.00 0.00 175.02 175.20 1p6s s LYS 64 N 1.15 3.90 0.33 4.11 -2.85 -1.26 -1.62 119.74 123.50 1p6s s LYS 64 Ca -0.09 0.71 -0.04 0.00 -1.00 0.00 0.00 55.97 55.55 1p6s s LYS 64 Cb -0.12 -2.29 0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1p6s s LYS 64 CO -0.04 -0.09 0.48 -0.08 0.10 0.00 0.00 175.35 175.72 1p6s s THR 65 N -2.40 0.00 -0.15 3.79 -1.32 -0.16 -4.92 115.64 110.48 1p6s s THR 65 Ca 0.55 -1.56 0.16 0.00 -1.21 0.00 0.00 61.69 59.64 1p6s s THR 65 Cb -0.10 -2.61 0.43 0.00 -1.51 0.00 0.00 72.50 68.71 1p6s s THR 65 CO 0.28 0.00 1.20 -0.62 -2.21 0.00 0.00 174.62 173.27 1p6s n GLU 66 N -0.54 1.24 -3.88 7.08 1.02 -1.26 -0.33 120.64 123.98 1p6s n GLU 66 Ca 0.00 -2.96 -0.12 0.00 -0.02 0.00 0.00 57.16 54.06 1p6s n GLU 66 Cb 0.62 -1.14 -0.13 0.00 -0.02 0.00 0.00 31.44 30.76 1p6s n GLU 66 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1p6s s ARG 67 N -2.24 0.07 0.00 3.49 0.52 -1.26 -3.49 118.95 116.04 1p6s s ARG 67 Ca 0.37 -0.07 0.19 0.00 -0.52 0.00 0.00 55.73 55.71 1p6s s ARG 67 Cb 0.38 0.03 0.92 0.00 0.52 0.00 0.00 34.95 36.80 1p6s s ARG 67 CO -0.09 -0.01 1.61 -0.35 0.02 0.00 0.00 175.30 176.48 1p6s n PRO 68 N 2.84 0.17 -4.35 3.54 -0.04 -1.26 -4.97 135.00 130.93 1p6s n PRO 68 Ca -0.14 0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.26 1p6s n PRO 68 Cb 0.59 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1p6s n PRO 68 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1p6s s ARG 69 N -2.73 1.35 0.70 0.54 3.00 -1.23 -5.14 118.95 115.45 1p6s s ARG 69 Ca 0.15 -1.61 -0.13 0.00 0.00 0.00 0.00 55.73 54.14 1p6s s ARG 69 Cb 0.13 -1.11 0.02 0.00 0.00 0.00 0.00 34.95 33.99 1p6s s ARG 69 CO 0.32 0.16 1.10 -1.25 0.00 0.00 0.00 175.30 175.63 1p6s s PRO 70 N -3.66 2.62 -0.94 3.54 0.04 -1.24 -4.05 135.00 131.32 1p6s s PRO 70 Ca 0.23 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 1p6s s PRO 70 Cb -0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1p6s s PRO 70 CO 0.07 -1.37 0.82 0.09 0.04 0.00 0.00 177.00 176.64 1p6s n ASN 71 N -2.86 -6.90 -4.50 6.66 3.02 -1.23 -4.74 115.26 104.71 1p6s n ASN 71 Ca 0.10 -0.51 -0.28 0.00 -0.03 0.00 0.00 54.58 53.86 1p6s n ASN 71 Cb 0.52 -4.96 -0.11 0.00 -0.61 0.00 0.00 39.78 34.62 1p6s n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1p6s s THR 72 N -3.24 2.83 -0.11 3.41 2.01 0.55 -2.50 115.64 118.60 1p6s s THR 72 Ca 0.28 -1.66 0.04 0.00 0.31 0.00 0.00 61.69 60.65 1p6s s THR 72 Cb -0.05 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1p6s s THR 72 CO 0.76 -0.00 -0.23 -0.36 -0.69 0.00 0.00 174.62 174.09 1p6s s PHE 73 N -1.41 2.54 -0.05 4.92 0.40 0.40 -0.99 117.98 123.79 1p6s s PHE 73 Ca 0.20 -1.09 0.02 0.00 -0.60 0.00 0.00 56.93 55.46 1p6s s PHE 73 Cb -0.09 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.74 1p6s s PHE 73 CO 0.11 -0.45 -0.08 0.08 0.70 0.00 0.00 175.22 175.58 1p6s s VAL 74 N 0.44 0.80 -0.17 -0.44 1.01 -0.64 -1.23 120.40 120.17 1p6s s VAL 74 Ca -0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1p6s s VAL 74 Cb -0.17 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.50 1p6s s VAL 74 CO 0.07 0.28 0.01 -0.51 0.00 0.00 0.00 175.10 174.94 1p6s s ILE 75 N 0.71 0.63 0.01 2.22 2.07 -0.46 0.09 121.20 126.46 1p6s s ILE 75 Ca -0.12 -0.45 0.05 0.00 -1.41 0.00 0.00 60.65 58.72 1p6s s ILE 75 Cb -0.14 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.43 1p6s s ILE 75 CO 0.02 -0.05 -0.16 0.00 -1.91 0.00 0.00 174.94 172.84 1p6s s ARG 76 N 1.83 1.19 -0.35 3.50 1.04 -0.72 -4.74 118.95 120.70 1p6s s ARG 76 Ca 0.00 -0.67 -0.04 0.00 -1.04 0.00 0.00 55.73 53.99 1p6s s ARG 76 Cb -0.16 -1.18 0.19 0.00 -2.04 0.00 0.00 34.95 31.75 1p6s s ARG 76 CO -0.07 0.31 0.91 0.00 -0.04 0.00 0.00 175.30 176.41 1p6s n LEU 78 N 4.00 0.00 0.01 0.00 4.32 -1.26 -4.98 117.00 119.09 1p6s n LEU 78 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1p6s n LEU 78 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1p6s n LEU 78 CO -0.08 0.00 0.00 1.67 -1.22 0.00 0.00 177.39 177.76 1p6s n GLN 79 N -0.33 0.00 -0.22 3.23 7.27 -1.26 -4.99 117.38 121.08 1p6s n GLN 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1p6s n GLN 79 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1p6s n GLN 79 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46 1p6s n TRP 80 N -2.02 0.00 -3.28 3.69 4.27 -1.26 -5.07 117.44 113.77 1p6s n TRP 80 Ca 0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1p6s n TRP 80 Cb 0.00 0.03 -0.08 0.00 -1.36 0.00 0.00 31.31 29.90 1p6s n TRP 80 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1p6s s THR 81 N 0.00 5.09 -0.28 -1.67 2.01 -1.26 -5.05 115.64 114.48 1p6s s THR 81 Ca 0.00 0.71 -0.17 0.00 0.31 0.00 0.00 61.69 62.54 1p6s s THR 81 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1p6s s THR 81 CO 0.00 0.06 0.47 0.42 -0.69 0.00 0.00 174.62 174.89 1p6s s THR 82 N 2.25 5.09 0.37 -0.82 -4.23 -1.26 -4.97 115.64 112.07 1p6s s THR 82 Ca 0.19 0.67 0.04 0.00 -1.18 0.00 0.00 61.69 61.42 1p6s s THR 82 Cb -0.16 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 1p6s s THR 82 CO 0.10 0.04 0.17 0.68 -0.54 0.00 0.00 174.62 175.07 1p6s s VAL 83 N 2.26 0.41 -0.28 2.29 -7.23 -1.26 -5.07 120.40 111.52 1p6s s VAL 83 Ca 0.19 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1p6s s VAL 83 Cb -0.16 -2.42 0.45 0.00 0.56 0.00 0.00 36.38 34.82 1p6s s VAL 83 CO 0.10 0.00 1.20 2.30 -0.31 0.00 0.00 175.10 178.39 1p6s n ILE 84 N -0.77 2.49 -3.38 -0.62 -5.35 -1.26 -5.04 119.36 105.43 1p6s n ILE 84 Ca -0.01 -4.08 0.00 0.00 -0.27 0.00 0.00 62.75 58.38 1p6s n ILE 84 Cb 0.64 -1.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 1p6s n ILE 84 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1p6s n GLU 85 N -0.77 2.85 -2.03 6.28 4.71 -1.26 -4.78 120.64 125.65 1p6s n GLU 85 Ca 0.41 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 57.35 1p6s n GLU 85 Cb 0.93 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 31.32 1p6s n GLU 85 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1p6s n ARG 86 N -0.07 -1.59 -4.21 3.49 3.00 -1.26 -4.86 116.66 111.16 1p6s n ARG 86 Ca 0.00 1.09 -0.18 0.00 -0.01 0.00 0.00 57.85 58.75 1p6s n ARG 86 Cb 0.00 -5.63 -0.15 0.00 0.00 0.00 0.00 32.46 26.68 1p6s n ARG 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1p6s s THR 87 N -2.89 0.53 0.13 0.55 2.01 -1.26 -1.36 115.64 113.35 1p6s s THR 87 Ca 0.00 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 1p6s s THR 87 Cb 0.00 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 72.01 1p6s s THR 87 CO 0.00 0.19 0.25 0.72 -0.69 0.00 0.00 174.62 175.09 1p6s s PHE 88 N 0.36 0.25 0.14 4.92 -0.12 -0.36 -4.66 117.98 118.50 1p6s s PHE 88 Ca -0.05 -0.64 0.07 0.00 -0.05 0.00 0.00 56.93 56.27 1p6s s PHE 88 Cb -0.09 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1p6s s PHE 88 CO -0.00 -0.64 -0.05 -1.01 -0.05 0.00 0.00 175.22 173.46 1p6s s HIS 89 N -3.91 2.79 0.17 3.49 3.76 0.10 -0.46 115.29 121.24 1p6s s HIS 89 Ca 0.11 -0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1p6s s HIS 89 Cb 0.04 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.29 1p6s s HIS 89 CO -0.06 0.48 0.33 0.14 -0.85 0.00 0.00 174.74 174.78 1p6s s VAL 90 N -1.47 5.28 -0.35 -0.90 -7.23 -1.04 0.66 120.40 115.35 1p6s s VAL 90 Ca 0.25 -0.57 0.22 0.00 -1.81 0.00 0.00 61.98 60.07 1p6s s VAL 90 Cb -0.10 -3.74 0.19 0.00 0.56 0.00 0.00 36.38 33.29 1p6s s VAL 90 CO 0.16 -0.13 1.37 -0.78 -0.31 0.00 0.00 175.10 175.41 1p6s h ASP 91 N 2.06 0.00 -4.60 4.85 1.82 -1.91 -3.46 116.42 115.18 1p6s h ASP 91 Ca -0.48 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 55.88 1p6s h ASP 91 Cb 1.19 0.00 -0.18 0.00 0.68 0.00 0.00 39.33 41.02 1p6s h ASP 91 CO 0.68 0.03 -0.72 -0.44 -1.61 0.00 0.00 179.24 177.17 1p6s s SER 92 N -5.88 1.14 0.25 2.28 0.01 -1.26 -5.03 113.70 105.19 1p6s s SER 92 Ca 0.04 -0.77 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 1p6s s SER 92 Cb 0.07 0.04 0.29 0.00 0.21 0.00 0.00 66.02 66.63 1p6s s SER 92 CO 0.72 -0.30 1.66 1.55 0.41 0.00 0.00 173.24 177.29 1p6s h PRO 93 N 3.75 0.61 -0.07 12.44 0.13 -1.98 -2.54 132.00 144.34 1p6s h PRO 93 Ca -0.36 -0.25 -0.11 0.00 -0.87 0.00 0.00 66.00 64.41 1p6s h PRO 93 Cb 1.19 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1p6s h PRO 93 CO 0.52 0.81 -0.44 0.22 -0.23 0.00 0.00 178.00 178.88 1p6s h ASP 94 N 0.53 0.17 0.02 1.44 1.82 -1.98 -2.50 116.42 115.91 1p6s h ASP 94 Ca 0.07 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1p6s h ASP 94 Cb 0.73 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1p6s h ASP 94 CO 0.06 0.59 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.94 1p6s h GLU 95 N 0.13 -0.03 -1.00 0.28 3.07 -1.87 0.24 114.58 115.40 1p6s h GLU 95 Ca 0.01 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1p6s h GLU 95 Cb 0.84 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.70 1p6s h GLU 95 CO 0.06 0.19 0.65 -0.09 -1.40 0.00 0.00 179.01 178.43 1p6s h ARG 96 N -0.24 1.22 -0.36 2.33 2.43 -1.43 -0.35 114.38 117.99 1p6s h ARG 96 Ca -0.00 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 1p6s h ARG 96 Cb 0.23 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1p6s h ARG 96 CO 0.00 0.81 -0.25 0.93 -1.51 0.00 0.00 179.97 179.96 1p6s h GLU 97 N 1.26 0.71 -0.55 0.20 4.39 -1.17 -2.43 114.58 116.99 1p6s h GLU 97 Ca 0.40 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 1p6s h GLU 97 Cb 0.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1p6s h GLU 97 CO -0.13 0.89 -0.10 1.49 -1.16 0.00 0.00 179.01 180.01 1p6s h GLU 98 N 0.62 1.04 -0.34 2.33 4.57 0.57 -1.07 114.58 122.29 1p6s h GLU 98 Ca 0.08 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 1p6s h GLU 98 Cb 0.74 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1p6s h GLU 98 CO 0.06 1.07 0.13 -1.49 -1.18 0.00 0.00 179.01 177.60 1p6s h TRP 99 N 0.92 0.52 -0.53 0.92 -0.00 -0.96 0.25 115.95 117.07 1p6s h TRP 99 Ca 0.14 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.99 1p6s h TRP 99 Cb 0.67 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.65 1p6s h TRP 99 CO 0.05 0.49 0.33 1.98 -0.00 0.00 0.00 178.44 181.28 1p6s h MET 100 N 0.40 0.72 -0.65 0.49 4.05 -1.32 0.21 114.93 118.84 1p6s h MET 100 Ca 0.11 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1p6s h MET 100 Cb 0.19 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1p6s h MET 100 CO -0.01 0.51 0.27 -0.09 0.23 0.00 0.00 176.91 177.82 1p6s h ARG 101 N 0.72 0.96 -0.48 0.39 2.43 -0.88 -1.79 114.38 115.73 1p6s h ARG 101 Ca 0.19 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1p6s h ARG 101 Cb -0.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1p6s h ARG 101 CO -0.04 0.80 -0.06 0.00 -1.51 0.00 0.00 179.97 179.16 1p6s h ALA 102 N 1.11 0.66 -0.94 2.80 0.00 0.01 -2.61 119.26 120.29 1p6s h ALA 102 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1p6s h ALA 102 Cb 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1p6s h ALA 102 CO -0.02 0.52 0.59 0.82 0.00 0.00 0.00 179.25 181.16 1p6s h ILE 103 N 0.75 1.25 -0.63 0.00 2.04 -0.33 0.46 117.51 121.05 1p6s h ILE 103 Ca 0.13 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1p6s h ILE 103 Cb 0.60 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1p6s h ILE 103 CO 0.04 0.26 0.23 -0.61 0.00 0.00 0.00 178.15 178.06 1p6s h GLN 104 N 1.29 0.95 -0.30 2.37 5.75 -1.15 0.46 115.11 124.48 1p6s h GLN 104 Ca 0.34 -0.19 -0.13 0.00 -0.15 0.00 0.00 58.65 58.53 1p6s h GLN 104 Cb -0.10 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.30 1p6s h GLN 104 CO -0.07 0.82 -0.31 0.52 -2.65 0.00 0.00 178.83 177.14 1p6s h MET 105 N 0.88 0.75 -0.44 1.69 2.86 -1.06 -2.65 114.93 116.96 1p6s h MET 105 Ca 0.21 -0.40 -0.12 0.00 -2.06 0.00 0.00 59.70 57.33 1p6s h MET 105 Cb 0.24 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1p6s h MET 105 CO -0.01 1.02 -0.19 0.28 1.06 0.00 0.00 176.91 179.07 1p6s h VAL 106 N 0.51 1.27 -0.38 -2.22 2.07 -0.74 -2.81 116.25 113.95 1p6s h VAL 106 Ca 0.05 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.28 1p6s h VAL 106 Cb 0.89 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1p6s h VAL 106 CO 0.08 0.46 0.26 0.00 0.02 0.00 0.00 177.57 178.38 1p6s h ALA 107 N 0.84 2.00 -0.82 1.67 0.00 -0.04 -0.84 119.26 122.07 1p6s h ALA 107 Ca 0.10 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1p6s h ALA 107 Cb 0.76 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1p6s h ALA 107 CO 0.06 -0.07 0.51 -0.91 0.00 0.00 0.00 179.25 178.84 1p6s h ASN 108 N 0.28 0.83 0.62 0.00 2.35 -1.19 -0.87 115.58 117.59 1p6s h ASN 108 Ca 0.16 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1p6s h ASN 108 Cb 0.30 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1p6s h ASN 108 CO -0.03 0.55 -0.32 -0.24 -1.65 0.00 0.00 177.43 175.74 1p6s n SER 109 N -4.61 0.38 -1.26 5.81 2.88 -0.56 -3.68 113.62 112.58 1p6s n SER 109 Ca 0.11 -0.09 0.08 0.00 -1.33 0.00 0.00 58.87 57.64 1p6s n SER 109 Cb 0.13 0.01 0.28 0.00 -0.75 0.00 0.00 64.21 63.88 1p6s n SER 109 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1p6s n LEU 110 N -1.43 3.70 0.00 2.46 4.32 -0.36 -5.10 117.00 120.59 1p6s n LEU 110 Ca 0.07 -1.86 0.01 0.00 -0.02 0.00 0.00 56.01 54.21 1p6s n LEU 110 Cb 0.33 -0.49 0.09 0.00 -1.62 0.00 0.00 43.42 41.73 1p6s n LEU 110 CO 0.32 0.68 0.33 2.29 -1.22 0.00 0.00 177.39 179.78