#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 4.87 -0.46 6.12 0.01 -1.26 -4.97 114.94 119.25 1p6s s ASN 2 Ca 0.00 -1.41 0.06 0.00 -0.71 0.00 0.00 52.86 50.81 1p6s s ASN 2 Cb 0.00 -1.70 0.30 0.00 0.41 0.00 0.00 41.25 40.26 1p6s s ASN 2 CO 0.00 -0.29 1.01 -1.84 -1.51 0.00 0.00 177.10 174.47 1p6s n GLU 3 N 4.58 0.94 -2.48 -0.60 0.28 -1.26 -5.13 120.64 116.97 1p6s n GLU 3 Ca -0.11 -2.01 -0.41 0.00 -0.16 0.00 0.00 57.16 54.46 1p6s n GLU 3 Cb 0.43 -1.21 -0.04 0.00 1.43 0.00 0.00 31.44 32.05 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 0.16 3.83 0.50 3.84 1.01 -1.26 -5.04 120.40 123.44 1p6s s VAL 4 Ca 0.27 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.82 1p6s s VAL 4 Cb 0.27 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1p6s s VAL 4 CO -0.11 0.25 0.14 -0.94 0.00 0.00 0.00 175.10 174.43 1p6s s SER 5 N 0.06 4.29 -0.17 3.32 1.04 -1.26 -4.88 113.70 116.10 1p6s s SER 5 Ca 0.51 -1.46 -0.23 0.00 0.48 0.00 0.00 55.95 55.25 1p6s s SER 5 Cb -0.30 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1p6s s SER 5 CO 0.35 -0.87 0.72 -0.69 0.98 0.00 0.00 173.24 173.73 1p6s s VAL 6 N -2.81 4.96 -0.08 5.02 1.01 -1.26 0.71 120.40 127.96 1p6s s VAL 6 Ca 0.20 1.39 -0.24 0.00 0.00 0.00 0.00 61.98 63.33 1p6s s VAL 6 Cb 0.01 -4.03 -0.30 0.00 0.00 0.00 0.00 36.38 32.07 1p6s s VAL 6 CO 0.11 0.09 0.85 0.40 0.00 0.00 0.00 175.10 176.55 1p6s h ILE 7 N 5.15 1.61 -2.73 2.22 1.08 -0.28 -3.45 117.51 121.11 1p6s h ILE 7 Ca -0.31 -2.47 -0.12 0.00 -0.39 0.00 0.00 64.86 61.56 1p6s h ILE 7 Cb 1.14 3.27 -0.24 0.00 -3.07 0.00 0.00 36.82 37.92 1p6s h ILE 7 CO 0.80 0.68 -0.24 -0.54 -0.69 0.00 0.00 178.15 178.16 1p6s s LYS 8 N -2.36 0.47 -0.03 2.37 3.01 -1.08 -5.01 119.74 117.12 1p6s s LYS 8 Ca -0.15 0.60 0.02 0.00 -1.01 0.00 0.00 55.97 55.43 1p6s s LYS 8 Cb -0.00 0.20 0.01 0.00 -1.01 0.00 0.00 37.83 37.02 1p6s s LYS 8 CO 0.78 -0.07 -0.08 -1.83 0.51 0.00 0.00 175.35 174.66 1p6s s GLU 9 N 0.39 0.88 0.11 1.68 -1.05 -1.26 0.25 118.70 119.70 1p6s s GLU 9 Ca -0.01 -0.24 -0.26 0.00 -0.15 0.00 0.00 54.97 54.30 1p6s s GLU 9 Cb -0.04 -0.84 0.08 0.00 -0.44 0.00 0.00 34.13 32.90 1p6s s GLU 9 CO -0.01 0.06 1.05 0.20 0.95 0.00 0.00 175.26 177.51 1p6s s GLY 10 N 0.34 -0.25 0.17 -3.83 0.00 0.24 -4.99 107.32 99.00 1p6s s GLY 10 Ca -0.05 0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.63 1p6s s GLY 10 CO 0.00 0.24 0.81 -0.98 0.00 0.00 0.00 173.10 173.18 1p6s s TRP 11 N -2.99 3.91 0.12 1.90 0.52 -1.26 0.34 118.94 121.48 1p6s s TRP 11 Ca 0.14 1.68 0.05 0.00 0.02 0.00 0.00 56.10 57.98 1p6s s TRP 11 Cb 0.00 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 1p6s s TRP 11 CO 0.01 0.48 -0.11 -0.51 0.02 0.00 0.00 176.95 176.84 1p6s s LEU 12 N -1.03 2.44 -0.26 2.99 1.43 0.14 -4.29 118.68 120.10 1p6s s LEU 12 Ca 0.37 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 1p6s s LEU 12 Cb -0.23 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1p6s s LEU 12 CO 0.27 -0.24 0.31 -1.00 0.23 0.00 0.00 176.35 175.92 1p6s s HIS 13 N -2.60 3.27 -0.04 0.29 3.76 0.21 0.72 115.29 120.89 1p6s s HIS 13 Ca 0.10 0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1p6s s HIS 13 Cb -0.02 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 1p6s s HIS 13 CO 0.01 -0.15 -0.09 0.21 -0.85 0.00 0.00 174.74 173.87 1p6s s LYS 14 N 1.77 2.61 0.17 1.40 2.36 0.47 -0.90 119.74 127.63 1p6s s LYS 14 Ca 0.13 -0.65 -0.21 0.00 -2.55 0.00 0.00 55.97 52.69 1p6s s LYS 14 Cb -0.15 -2.50 -0.08 0.00 -1.05 0.00 0.00 37.83 34.05 1p6s s LYS 14 CO 0.09 0.63 0.70 0.50 1.55 0.00 0.00 175.35 178.83 1p6s s ARG 15 N -0.98 4.32 1.08 4.03 3.52 -1.26 0.10 118.95 129.76 1p6s s ARG 15 Ca 0.13 0.91 -0.18 0.00 -0.13 0.00 0.00 55.73 56.46 1p6s s ARG 15 Cb -0.11 -3.07 0.26 0.00 -1.56 0.00 0.00 34.95 30.47 1p6s s ARG 15 CO 0.03 0.50 1.19 0.41 -0.81 0.00 0.00 175.30 176.61 1p6s n GLY 16 N 1.18 -2.13 0.11 8.12 0.00 -0.78 -4.96 105.19 106.74 1p6s n GLY 16 Ca -0.05 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 1p6s n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p6s n GLU 17 N -4.26 0.69 -0.15 1.61 1.02 -1.26 -4.50 120.64 113.79 1p6s n GLU 17 Ca 0.16 0.23 0.03 0.00 -0.02 0.00 0.00 57.16 57.56 1p6s n GLU 17 Cb 0.57 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.33 1p6s n GLU 17 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1p6s n TYR 18 N -3.20 0.00 0.05 -0.32 0.18 -1.26 -4.77 117.16 107.84 1p6s n TYR 18 Ca -0.28 -0.42 0.05 0.00 1.88 0.00 0.00 57.90 59.13 1p6s n TYR 18 Cb 1.06 -0.07 -0.08 0.00 -0.38 0.00 0.00 39.34 39.87 1p6s n TYR 18 CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 1p6s n ILE 19 N -0.55 0.00 -3.53 -3.48 3.06 -1.26 -5.01 119.36 108.59 1p6s n ILE 19 Ca 0.05 -0.24 -0.26 0.00 -2.50 0.00 0.00 62.75 59.80 1p6s n ILE 19 Cb 0.54 0.34 0.04 0.00 0.54 0.00 0.00 39.64 41.10 1p6s n ILE 19 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1p6s n LYS 20 N -1.79 -5.98 -4.03 9.51 5.02 -1.26 -4.97 118.16 114.65 1p6s n LYS 20 Ca -0.01 0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 56.90 1p6s n LYS 20 Cb 0.26 -5.66 -0.12 0.00 -0.02 0.00 0.00 35.03 29.49 1p6s n LYS 20 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p6s s THR 21 N -3.24 0.34 -0.29 -0.18 2.01 -1.26 -4.97 115.64 108.05 1p6s s THR 21 Ca 0.53 -0.85 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 1p6s s THR 21 Cb -0.25 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1p6s s THR 21 CO 0.65 -0.34 0.28 0.26 -0.69 0.00 0.00 174.62 174.78 1p6s s TRP 22 N -1.17 3.23 -0.10 4.92 0.52 -1.26 -1.86 118.94 123.22 1p6s s TRP 22 Ca -0.10 0.16 -0.03 0.00 0.02 0.00 0.00 56.10 56.15 1p6s s TRP 22 Cb -0.08 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1p6s s TRP 22 CO -0.00 -0.24 0.02 -0.98 0.02 0.00 0.00 176.95 175.77 1p6s s ARG 23 N 1.89 3.17 0.13 4.98 1.70 0.11 -4.72 118.95 126.21 1p6s s ARG 23 Ca 0.10 -0.37 -0.31 0.00 -0.47 0.00 0.00 55.73 54.68 1p6s s ARG 23 Cb -0.16 -2.89 -0.08 0.00 -0.57 0.00 0.00 34.95 31.25 1p6s s ARG 23 CO 0.11 0.65 1.30 -1.25 -1.08 0.00 0.00 175.30 175.03 1p6s s PRO 24 N -0.73 4.38 0.01 3.89 0.04 -1.26 -0.39 135.00 140.95 1p6s s PRO 24 Ca 0.12 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1p6s s PRO 24 Cb -0.12 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 1p6s s PRO 24 CO 0.02 -0.31 -0.03 1.03 0.04 0.00 0.00 177.00 177.76 1p6s s ARG 25 N 0.62 0.25 -0.27 4.56 0.52 0.22 -4.90 118.95 119.96 1p6s s ARG 25 Ca 0.60 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 1p6s s ARG 25 Cb -0.34 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.01 1p6s s ARG 25 CO 0.33 0.02 1.43 -0.47 0.02 0.00 0.00 175.30 176.62 1p6s s TYR 26 N -0.61 2.46 0.11 -0.53 5.04 0.51 0.28 117.35 124.60 1p6s s TYR 26 Ca -0.05 0.74 0.06 0.00 -2.44 0.00 0.00 57.07 55.38 1p6s s TYR 26 Cb -0.05 -3.93 -0.04 0.00 0.35 0.00 0.00 41.96 38.29 1p6s s TYR 26 CO -0.00 -2.20 -0.05 -0.06 -1.34 0.00 0.00 175.55 171.90 1p6s s PHE 27 N 4.68 2.86 -0.03 4.97 0.40 0.15 0.92 117.98 131.93 1p6s s PHE 27 Ca 0.62 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 1p6s s PHE 27 Cb -0.20 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 41.88 1p6s s PHE 27 CO 0.25 0.46 -0.03 -0.51 0.70 0.00 0.00 175.22 176.10 1p6s s LEU 28 N -2.34 1.48 -0.12 -0.37 1.02 0.89 -0.59 118.68 118.64 1p6s s LEU 28 Ca 0.24 -0.07 -0.02 0.00 0.02 0.00 0.00 54.13 54.30 1p6s s LEU 28 Cb -0.11 -0.29 -0.03 0.00 0.02 0.00 0.00 46.19 45.78 1p6s s LEU 28 CO 0.16 -0.04 -0.05 -0.22 0.02 0.00 0.00 176.35 176.23 1p6s s LEU 29 N 0.63 3.23 0.33 1.79 0.20 0.14 -0.32 118.68 124.68 1p6s s LEU 29 Ca -0.07 -0.08 0.08 0.00 0.69 0.00 0.00 54.13 54.74 1p6s s LEU 29 Cb -0.10 -1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1p6s s LEU 29 CO -0.01 0.24 0.25 -0.54 -0.29 0.00 0.00 176.35 176.00 1p6s s LYS 30 N -0.08 2.65 0.00 1.98 1.02 -0.56 0.41 119.74 125.16 1p6s s LYS 30 Ca 0.02 -1.34 0.11 0.00 0.02 0.00 0.00 55.97 54.78 1p6s s LYS 30 Cb -0.13 -2.41 0.50 0.00 -0.52 0.00 0.00 37.83 35.27 1p6s s LYS 30 CO 0.03 0.13 1.31 0.45 -0.92 0.00 0.00 175.35 176.34 1p6s n SER 31 N -1.30 0.00 0.05 2.83 2.88 0.22 -2.25 113.62 116.06 1p6s n SER 31 Ca -0.03 0.36 0.12 0.00 -1.33 0.00 0.00 58.87 57.99 1p6s n SER 31 Cb 0.60 -0.42 0.29 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.42 0.61 -0.01 -3.46 2.03 -1.26 -4.92 116.55 108.13 1p6s n ASP 32 Ca 0.04 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1p6s n ASP 32 Cb 0.11 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 1.38 1.01 3.06 0.27 0.00 -0.95 -4.81 105.19 105.14 1p6s n GLY 33 Ca 0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1p6s n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p6s s SER 34 N -2.01 1.60 -0.21 1.61 1.04 -1.25 0.04 113.70 114.52 1p6s s SER 34 Ca 0.00 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1p6s s SER 34 Cb 0.00 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 65.72 1p6s s SER 34 CO 0.00 0.11 -0.09 0.12 0.98 0.00 0.00 173.24 174.36 1p6s s PHE 35 N 0.06 2.91 -0.04 5.02 2.19 0.38 -1.50 117.98 127.00 1p6s s PHE 35 Ca -0.02 -1.13 -0.01 0.00 0.33 0.00 0.00 56.93 56.11 1p6s s PHE 35 Cb -0.09 -2.05 -0.04 0.00 -1.31 0.00 0.00 43.02 39.54 1p6s s PHE 35 CO 0.01 -0.61 0.02 0.42 1.83 0.00 0.00 175.22 176.89 1p6s s ILE 36 N 1.40 4.38 -0.09 3.12 -1.09 0.56 0.18 121.20 129.65 1p6s s ILE 36 Ca 0.05 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.12 1p6s s ILE 36 Cb -0.14 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1p6s s ILE 36 CO -0.06 0.48 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.06 1p6s s GLY 37 N -1.29 1.31 -0.09 6.18 0.00 0.10 -0.08 107.32 113.46 1p6s s GLY 37 Ca 0.17 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.97 1p6s s GLY 37 CO 0.07 -0.35 -0.20 -0.19 0.00 0.00 0.00 173.10 172.43 1p6s s TYR 38 N 0.29 2.60 0.41 1.90 1.51 0.26 -0.77 117.35 123.55 1p6s s TYR 38 Ca -0.17 -0.73 0.11 0.00 -1.01 0.00 0.00 57.07 55.27 1p6s s TYR 38 Cb -0.17 -1.70 0.87 0.00 -0.11 0.00 0.00 41.96 40.85 1p6s s TYR 38 CO 0.08 -0.23 1.95 1.57 -1.11 0.00 0.00 175.55 177.82 1p6s h LYS 39 N 6.33 0.16 0.00 -0.62 2.10 -1.93 0.15 116.57 122.75 1p6s h LYS 39 Ca -0.28 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1p6s h LYS 39 Cb 1.20 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1p6s h LYS 39 CO 0.50 0.30 0.00 -1.91 -2.00 0.00 0.00 179.45 176.34 1p6s n GLU 40 N -4.31 2.67 -3.28 0.07 2.13 -1.26 -4.55 120.64 112.11 1p6s n GLU 40 Ca -0.01 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.54 1p6s n GLU 40 Cb 0.25 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.89 1p6s n GLU 40 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1p6s n ARG 41 N 0.00 2.47 -2.64 5.31 1.74 -1.26 -4.25 116.66 118.03 1p6s n ARG 41 Ca 0.00 -4.54 -0.36 0.00 -0.77 0.00 0.00 57.85 52.19 1p6s n ARG 41 Cb 0.00 -2.14 -0.05 0.00 -1.02 0.00 0.00 32.46 29.26 1p6s n ARG 41 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1p6s s PRO 42 N -2.58 4.20 0.00 5.56 0.04 -1.26 -4.97 135.00 135.98 1p6s s PRO 42 Ca 0.42 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1p6s s PRO 42 Cb 0.19 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1p6s s PRO 42 CO -0.05 -0.08 0.00 0.39 0.04 0.00 0.00 177.00 177.29 1p6s n GLU 43 N -0.19 1.70 -0.85 4.56 4.71 -1.26 -5.07 120.64 124.24 1p6s n GLU 43 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.31 1p6s n GLU 43 Cb 0.51 -0.86 -0.05 0.00 -1.01 0.00 0.00 31.44 30.03 1p6s n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1p6s n ALA 44 N -1.85 -2.23 -0.03 0.62 0.00 -1.26 -4.68 120.51 111.09 1p6s n ALA 44 Ca 0.00 0.49 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 1p6s n ALA 44 Cb 0.36 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.83 0.38 0.00 0.00 0.13 -2.01 -3.45 132.00 126.23 1p6s h PRO 45 Ca -0.09 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1p6s h PRO 45 Cb 0.81 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1p6s h PRO 45 CO 0.04 0.95 0.00 -0.25 -0.23 0.00 0.00 178.00 178.51 1p6s n ASP 46 N -4.38 0.00 -2.42 1.44 9.92 -1.26 -5.03 116.55 114.82 1p6s n ASP 46 Ca -0.08 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.15 1p6s n ASP 46 Cb 0.53 -0.03 0.07 0.00 -0.64 0.00 0.00 41.12 41.05 1p6s n ASP 46 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1p6s n GLN 47 N -2.12 0.80 -2.41 -1.24 -0.06 -1.26 -5.02 117.38 106.06 1p6s n GLN 47 Ca 0.00 -0.99 -0.39 0.00 -2.00 0.00 0.00 57.00 53.62 1p6s n GLN 47 Cb 0.00 0.14 0.02 0.00 -4.06 0.00 0.00 30.24 26.34 1p6s n GLN 47 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1p6s n THR 48 N -0.79 4.91 -3.72 1.69 5.66 -1.26 -4.98 114.28 115.79 1p6s n THR 48 Ca -0.12 -5.35 -0.36 0.00 -3.05 0.00 0.00 64.05 55.16 1p6s n THR 48 Cb 0.74 -1.42 -0.10 0.00 -1.55 0.00 0.00 70.33 68.00 1p6s n THR 48 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1p6s s LEU 49 N -4.16 3.98 0.03 1.09 1.02 -1.26 -4.94 118.68 114.44 1p6s s LEU 49 Ca 0.44 0.06 -0.30 0.00 0.02 0.00 0.00 54.13 54.35 1p6s s LEU 49 Cb 0.29 -2.06 -0.05 0.00 0.02 0.00 0.00 46.19 44.39 1p6s s LEU 49 CO -0.23 0.06 1.24 -2.16 0.02 0.00 0.00 176.35 175.28 1p6s s PRO 50 N 1.08 4.38 0.09 1.29 0.04 -1.26 -4.99 135.00 135.63 1p6s s PRO 50 Ca 0.07 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1p6s s PRO 50 Cb -0.14 -3.43 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 1p6s s PRO 50 CO 0.04 -0.36 1.16 -1.25 0.04 0.00 0.00 177.00 176.63 1p6s s PRO 51 N 1.54 4.48 -0.08 0.56 0.04 -1.26 -4.96 135.00 135.32 1p6s s PRO 51 Ca 0.59 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 1p6s s PRO 51 Cb -0.29 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1p6s s PRO 51 CO 0.27 -0.15 -0.22 -0.11 0.04 0.00 0.00 177.00 176.83 1p6s n LEU 52 N 3.47 1.52 -4.48 -3.56 0.00 -1.26 -4.98 117.00 107.71 1p6s n LEU 52 Ca 0.07 0.24 -0.34 0.00 0.00 0.00 0.00 56.01 55.98 1p6s n LEU 52 Cb 0.47 -0.59 -0.12 0.00 0.00 0.00 0.00 43.42 43.17 1p6s n LEU 52 CO 0.55 -0.43 -0.34 0.21 0.00 0.00 0.00 177.39 177.38 1p6s s ASN 53 N -5.77 4.86 -0.08 1.96 2.47 0.05 -4.96 114.94 113.47 1p6s s ASN 53 Ca -0.18 -0.15 0.04 0.00 0.42 0.00 0.00 52.86 52.99 1p6s s ASN 53 Cb 0.02 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.01 1p6s s ASN 53 CO 0.27 0.12 -0.20 0.20 -3.72 0.00 0.00 177.10 173.76 1p6s s ASN 54 N 0.68 2.61 0.05 -4.21 -0.87 -1.26 0.03 114.94 111.96 1p6s s ASN 54 Ca -0.01 -0.45 0.03 0.00 -1.57 0.00 0.00 52.86 50.85 1p6s s ASN 54 Cb -0.14 -1.04 -0.03 0.00 -0.02 0.00 0.00 41.25 40.02 1p6s s ASN 54 CO 0.02 0.14 -0.09 0.12 -2.57 0.00 0.00 177.10 174.72 1p6s s PHE 55 N 0.29 0.79 -0.13 2.20 5.36 0.13 -4.99 117.98 121.63 1p6s s PHE 55 Ca -0.13 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.32 1p6s s PHE 55 Cb -0.16 -0.46 0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1p6s s PHE 55 CO 0.06 -0.06 -0.16 0.45 -1.46 0.00 0.00 175.22 174.04 1p6s s SER 56 N -1.76 2.65 -0.21 6.13 0.15 -1.26 -0.47 113.70 118.92 1p6s s SER 56 Ca -0.06 -0.48 0.15 0.00 0.70 0.00 0.00 55.95 56.26 1p6s s SER 56 Cb -0.08 -1.19 0.66 0.00 -1.71 0.00 0.00 66.02 63.69 1p6s s SER 56 CO 0.00 0.00 1.57 0.55 1.20 0.00 0.00 173.24 176.56 1p6s n VAL 57 N 4.38 2.51 -2.29 4.45 3.14 0.11 -4.91 118.33 125.72 1p6s n VAL 57 Ca -0.19 -1.70 -0.43 0.00 -2.96 0.00 0.00 64.34 59.07 1p6s n VAL 57 Cb 0.51 -0.27 -0.02 0.00 -1.06 0.00 0.00 33.84 32.99 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 -2.82 3.32 -1.12 1.55 0.00 -1.21 -3.55 121.76 117.93 1p6s s ALA 58 Ca 0.48 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 1p6s s ALA 58 Cb 0.38 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1p6s s ALA 58 CO 0.12 -1.85 0.89 -1.91 0.00 0.00 0.00 175.76 173.00 1p6s n GLU 59 N 7.47 -3.12 -4.25 0.00 2.13 -1.26 -5.02 120.64 116.58 1p6s n GLU 59 Ca 0.16 0.77 -0.16 0.00 0.66 0.00 0.00 57.16 58.59 1p6s n GLU 59 Cb 0.46 -5.47 -0.11 0.00 0.27 0.00 0.00 31.44 26.59 1p6s n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p6s s GLN 61 N -3.12 3.79 0.06 0.00 0.74 -1.26 -5.01 119.66 114.86 1p6s s GLN 61 Ca 0.12 -0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.20 1p6s s GLN 61 Cb -0.02 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.92 1p6s s GLN 61 CO 0.02 0.36 -0.06 -0.48 -0.55 0.00 0.00 175.29 174.59 1p6s s LEU 62 N 0.10 2.39 -0.04 3.68 2.34 -1.26 -0.67 118.68 125.22 1p6s s LEU 62 Ca 0.05 -0.79 -0.25 0.00 0.06 0.00 0.00 54.13 53.20 1p6s s LEU 62 Cb -0.12 -0.05 0.05 0.00 -0.56 0.00 0.00 46.19 45.50 1p6s s LEU 62 CO 0.01 -0.37 0.54 0.00 -1.06 0.00 0.00 176.35 175.46 1p6s s MET 63 N -2.80 0.90 0.20 1.48 0.23 0.81 -4.98 119.30 115.13 1p6s s MET 63 Ca 0.01 0.10 -0.20 0.00 -1.03 0.00 0.00 55.69 54.57 1p6s s MET 63 Cb -0.01 0.42 -0.08 0.00 -1.53 0.00 0.00 34.83 33.62 1p6s s MET 63 CO -0.03 -0.27 0.72 -1.59 -2.03 0.00 0.00 175.02 171.82 1p6s s LYS 64 N -1.20 4.29 0.33 3.16 -2.85 -1.26 -0.21 119.74 122.00 1p6s s LYS 64 Ca -0.12 0.89 0.08 0.00 -1.00 0.00 0.00 55.97 55.82 1p6s s LYS 64 Cb -0.02 -2.96 -0.03 0.00 -2.06 0.00 0.00 37.83 32.76 1p6s s LYS 64 CO 0.08 0.44 0.28 -2.37 0.10 0.00 0.00 175.35 173.87 1p6s n THR 65 N 0.91 0.00 -1.06 3.79 5.66 0.12 -4.89 114.28 118.80 1p6s n THR 65 Ca -0.03 -2.44 0.09 0.00 -3.05 0.00 0.00 64.05 58.61 1p6s n THR 65 Cb 0.51 1.22 0.12 0.00 -1.55 0.00 0.00 70.33 70.62 1p6s n THR 65 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1p6s n GLU 66 N -0.64 1.30 -4.18 1.09 0.28 -1.26 -1.03 120.64 116.21 1p6s n GLU 66 Ca 0.08 -2.40 -0.16 0.00 -0.16 0.00 0.00 57.16 54.52 1p6s n GLU 66 Cb 0.61 -1.40 -0.13 0.00 1.43 0.00 0.00 31.44 31.94 1p6s n GLU 66 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1p6s s ARG 67 N -2.56 0.54 0.52 3.44 0.52 -1.26 -3.42 118.95 116.72 1p6s s ARG 67 Ca 0.28 -0.41 0.30 0.00 -0.52 0.00 0.00 55.73 55.38 1p6s s ARG 67 Cb 0.24 -0.46 1.20 0.00 0.52 0.00 0.00 34.95 36.45 1p6s s ARG 67 CO 0.03 0.12 1.93 -1.00 0.02 0.00 0.00 175.30 176.39 1p6s h PRO 68 N 5.48 0.00 -6.14 3.54 0.13 -2.01 -3.48 132.00 129.53 1p6s h PRO 68 Ca -0.31 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 1p6s h PRO 68 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1p6s h PRO 68 CO 0.47 0.06 -0.71 1.03 -0.23 0.00 0.00 178.00 178.63 1p6s s ARG 69 N -3.65 1.87 0.69 0.86 0.52 -1.23 -5.12 118.95 112.89 1p6s s ARG 69 Ca 0.01 -1.73 -0.15 0.00 -0.52 0.00 0.00 55.73 53.35 1p6s s ARG 69 Cb 0.09 -1.86 0.01 0.00 0.52 0.00 0.00 34.95 33.72 1p6s s ARG 69 CO 0.58 0.28 1.13 -1.25 0.02 0.00 0.00 175.30 176.06 1p6s s PRO 70 N -3.59 2.58 -0.99 3.54 0.04 -1.22 -4.05 135.00 131.32 1p6s s PRO 70 Ca 0.31 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 1p6s s PRO 70 Cb -0.03 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1p6s s PRO 70 CO 0.17 -1.44 0.85 0.09 0.04 0.00 0.00 177.00 176.71 1p6s n ASN 71 N -2.57 -6.73 -4.40 6.66 3.02 -1.20 -4.89 115.26 105.14 1p6s n ASN 71 Ca 0.11 -0.61 -0.22 0.00 -0.03 0.00 0.00 54.58 53.84 1p6s n ASN 71 Cb 0.52 -4.95 -0.10 0.00 -0.61 0.00 0.00 39.78 34.64 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 -3.30 2.10 -0.11 3.41 2.01 -0.20 -3.50 115.64 116.04 1p6s s THR 72 Ca 0.35 -2.27 0.03 0.00 0.31 0.00 0.00 61.69 60.12 1p6s s THR 72 Cb -0.06 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1p6s s THR 72 CO 0.76 -0.46 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.64 1p6s s PHE 73 N -2.63 2.57 0.00 4.92 0.40 0.80 0.11 117.98 124.16 1p6s s PHE 73 Ca 0.25 -1.14 0.07 0.00 -0.60 0.00 0.00 56.93 55.51 1p6s s PHE 73 Cb -0.03 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1p6s s PHE 73 CO 0.11 -0.48 -0.21 0.08 0.70 0.00 0.00 175.22 175.41 1p6s s VAL 74 N 0.51 2.49 0.00 -0.44 1.01 0.70 -0.35 120.40 124.33 1p6s s VAL 74 Ca -0.15 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.75 1p6s s VAL 74 Cb -0.17 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1p6s s VAL 74 CO 0.05 0.47 -0.08 -0.51 0.00 0.00 0.00 175.10 175.03 1p6s s ILE 75 N -0.77 0.65 -0.77 2.22 2.07 0.45 -0.14 121.20 124.92 1p6s s ILE 75 Ca 0.12 -0.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.92 1p6s s ILE 75 Cb -0.10 -0.56 0.19 0.00 0.13 0.00 0.00 42.46 42.11 1p6s s ILE 75 CO 0.02 0.12 0.61 -0.60 -1.91 0.00 0.00 174.94 173.17 1p6s s ARG 76 N -0.37 2.85 -0.03 3.50 6.06 0.16 -4.76 118.95 126.36 1p6s s ARG 76 Ca 0.02 -3.14 -0.00 0.00 -2.50 0.00 0.00 55.73 50.10 1p6s s ARG 76 Cb -0.04 -3.73 -0.04 0.00 0.06 0.00 0.00 34.95 31.21 1p6s s ARG 76 CO -0.00 -1.25 0.02 0.00 -2.50 0.00 0.00 175.30 171.57 1p6s n LEU 78 N 1.60 0.00 0.00 0.00 4.77 -1.26 -5.00 117.00 117.12 1p6s n LEU 78 Ca -0.16 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1p6s n LEU 78 Cb 0.53 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1p6s n LEU 78 CO 0.33 -1.87 0.00 0.00 -1.33 0.00 0.00 177.39 174.52 1p6s n GLN 79 N -2.63 1.40 -3.26 3.23 1.13 -1.26 -4.96 117.38 111.04 1p6s n GLN 79 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1p6s n GLN 79 Cb 0.20 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.58 1p6s n GLN 79 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 1p6s n TRP 80 N 0.00 -2.63 -2.52 1.08 -0.00 -1.26 -4.85 117.44 107.26 1p6s n TRP 80 Ca 0.00 0.96 -0.40 0.00 -0.00 0.00 0.00 57.50 58.06 1p6s n TRP 80 Cb 0.00 -3.91 -0.03 0.00 -0.00 0.00 0.00 31.31 27.38 1p6s n TRP 80 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1p6s s THR 81 N -3.15 3.92 -0.08 5.87 -4.23 -1.26 -4.74 115.64 111.96 1p6s s THR 81 Ca 0.18 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1p6s s THR 81 Cb -0.04 -5.00 -0.27 0.00 1.34 0.00 0.00 72.50 68.54 1p6s s THR 81 CO 0.78 -1.87 0.52 0.71 -0.54 0.00 0.00 174.62 174.22 1p6s h THR 82 N 6.57 0.77 -3.87 3.99 1.35 -2.05 -3.48 112.91 116.20 1p6s h THR 82 Ca 0.24 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 1p6s h THR 82 Cb 0.98 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1p6s h THR 82 CO 1.42 0.82 0.00 1.33 -0.25 0.00 0.00 175.52 178.84 1p6s n VAL 83 N -3.43 0.00 -3.97 6.82 0.24 -1.26 -5.11 118.33 111.62 1p6s n VAL 83 Ca -0.27 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.73 1p6s n VAL 83 Cb 1.05 -0.57 -0.15 0.00 -1.47 0.00 0.00 33.84 32.70 1p6s n VAL 83 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1p6s s ILE 84 N 0.33 1.86 -0.31 1.34 1.10 -1.26 -4.93 121.20 119.33 1p6s s ILE 84 Ca 0.00 -1.76 0.13 0.00 -0.51 0.00 0.00 60.65 58.51 1p6s s ILE 84 Cb 0.00 -2.22 0.39 0.00 0.15 0.00 0.00 42.46 40.78 1p6s s ILE 84 CO 0.00 -0.35 1.48 -0.62 -2.11 0.00 0.00 174.94 173.34 1p6s n GLU 85 N 4.48 1.31 -0.05 3.50 1.02 -1.26 -4.94 120.64 124.70 1p6s n GLU 85 Ca -0.05 -1.38 0.05 0.00 -0.02 0.00 0.00 57.16 55.76 1p6s n GLU 85 Cb 0.43 0.27 0.08 0.00 -0.02 0.00 0.00 31.44 32.20 1p6s n GLU 85 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1p6s n ARG 86 N -1.38 2.22 -4.21 3.49 1.85 -1.26 -4.99 116.66 112.38 1p6s n ARG 86 Ca -0.17 -2.05 -0.21 0.00 -1.00 0.00 0.00 57.85 54.42 1p6s n ARG 86 Cb 0.86 -1.26 -0.16 0.00 -1.05 0.00 0.00 32.46 30.85 1p6s n ARG 86 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1p6s s THR 87 N -1.90 0.67 0.04 8.89 2.01 -1.26 -0.41 115.64 123.68 1p6s s THR 87 Ca 0.17 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.02 1p6s s THR 87 Cb 0.14 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 1p6s s THR 87 CO 0.02 0.26 -0.13 0.72 -0.69 0.00 0.00 174.62 174.80 1p6s s PHE 88 N 0.96 1.16 0.15 4.92 -0.12 0.52 -4.68 117.98 120.89 1p6s s PHE 88 Ca -0.10 -0.35 0.05 0.00 -0.05 0.00 0.00 56.93 56.47 1p6s s PHE 88 Cb -0.14 -0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 1p6s s PHE 88 CO 0.00 0.02 0.14 -1.01 -0.05 0.00 0.00 175.22 174.33 1p6s s HIS 89 N -0.86 3.19 0.28 3.49 3.76 -0.08 -0.14 115.29 124.92 1p6s s HIS 89 Ca 0.01 0.01 0.07 0.00 -0.15 0.00 0.00 55.06 54.99 1p6s s HIS 89 Cb -0.08 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 1p6s s HIS 89 CO 0.01 0.52 0.25 0.14 -0.85 0.00 0.00 174.74 174.81 1p6s s VAL 90 N -1.71 4.19 0.18 -0.90 -7.23 -1.23 0.66 120.40 114.36 1p6s s VAL 90 Ca 0.31 -1.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 1p6s s VAL 90 Cb -0.10 -3.36 -0.14 0.00 0.56 0.00 0.00 36.38 33.33 1p6s s VAL 90 CO 0.24 -0.29 1.40 -0.78 -0.31 0.00 0.00 175.10 175.36 1p6s h ASP 91 N 1.37 0.07 -5.05 4.85 3.58 -1.93 -3.44 116.42 115.88 1p6s h ASP 91 Ca -0.47 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 56.76 1p6s h ASP 91 Cb 1.24 -0.02 -0.15 0.00 1.72 0.00 0.00 39.33 42.12 1p6s h ASP 91 CO 0.60 0.89 -0.68 -0.44 -2.88 0.00 0.00 179.24 176.72 1p6s s SER 92 N -6.81 0.69 0.16 2.28 0.01 -1.26 -5.03 113.70 103.73 1p6s s SER 92 Ca -0.01 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 1p6s s SER 92 Cb 0.11 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1p6s s SER 92 CO 0.81 -0.57 1.59 1.55 0.41 0.00 0.00 173.24 177.03 1p6s h PRO 93 N 3.06 0.96 -0.35 12.44 0.13 -1.93 -2.09 132.00 144.21 1p6s h PRO 93 Ca -0.35 -0.34 -0.05 0.00 -0.87 0.00 0.00 66.00 64.40 1p6s h PRO 93 Cb 1.15 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1p6s h PRO 93 CO 0.65 1.00 0.02 -0.44 -0.23 0.00 0.00 178.00 179.00 1p6s h ASP 94 N 0.83 0.50 -0.27 1.44 3.32 -2.00 -2.44 116.42 117.80 1p6s h ASP 94 Ca 0.14 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1p6s h ASP 94 Cb 0.61 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1p6s h ASP 94 CO 0.04 0.56 0.09 -0.08 -1.72 0.00 0.00 179.24 178.13 1p6s h GLU 95 N 0.52 0.42 -0.63 3.56 4.81 -1.85 -1.95 114.58 119.46 1p6s h GLU 95 Ca 0.11 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1p6s h GLU 95 Cb 0.30 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1p6s h GLU 95 CO 0.01 0.47 0.31 -0.09 -0.73 0.00 0.00 179.01 178.98 1p6s h ARG 96 N 0.28 0.54 -0.61 1.92 2.43 -0.95 -0.86 114.38 117.13 1p6s h ARG 96 Ca 0.09 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1p6s h ARG 96 Cb 0.23 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1p6s h ARG 96 CO -0.00 0.36 0.35 0.93 -1.51 0.00 0.00 179.97 180.10 1p6s h GLU 97 N 0.56 0.83 -0.82 0.20 5.08 -1.20 -2.33 114.58 116.90 1p6s h GLU 97 Ca 0.30 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1p6s h GLU 97 Cb 0.27 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1p6s h GLU 97 CO -0.23 0.61 0.49 1.49 -1.00 0.00 0.00 179.01 180.37 1p6s h GLU 98 N 0.82 1.11 -0.52 2.33 4.57 -0.52 -2.34 114.58 120.04 1p6s h GLU 98 Ca 0.22 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1p6s h GLU 98 Cb 0.01 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 1p6s h GLU 98 CO -0.04 0.79 0.34 -1.49 -1.18 0.00 0.00 179.01 177.43 1p6s h TRP 99 N 1.12 0.66 -0.70 0.92 -0.00 -0.79 -2.01 115.95 115.16 1p6s h TRP 99 Ca 0.29 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.23 1p6s h TRP 99 Cb -0.03 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 28.86 1p6s h TRP 99 CO -0.00 0.42 0.44 1.98 -0.00 0.00 0.00 178.44 181.28 1p6s h MET 100 N 0.71 0.83 -0.80 0.49 4.05 -1.04 -1.42 114.93 117.75 1p6s h MET 100 Ca 0.19 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1p6s h MET 100 Cb -0.07 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.50 1p6s h MET 100 CO -0.04 0.55 0.43 -0.09 0.23 0.00 0.00 176.91 177.98 1p6s h ARG 101 N 0.85 1.12 -0.40 0.39 9.65 -0.97 -1.51 114.38 123.52 1p6s h ARG 101 Ca 0.28 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1p6s h ARG 101 Cb 0.02 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 1p6s h ARG 101 CO -0.11 0.84 0.03 0.00 2.80 0.00 0.00 179.97 183.53 1p6s h ALA 102 N 1.22 0.53 -0.78 2.80 0.00 -0.80 -1.74 119.26 120.49 1p6s h ALA 102 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1p6s h ALA 102 Cb 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1p6s h ALA 102 CO -0.04 0.28 0.35 0.82 0.00 0.00 0.00 179.25 180.66 1p6s h ILE 103 N 0.52 1.25 -0.43 0.00 2.04 -1.03 -2.36 117.51 117.50 1p6s h ILE 103 Ca 0.12 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.15 1p6s h ILE 103 Cb 0.43 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1p6s h ILE 103 CO 0.01 0.31 -0.10 -0.61 0.00 0.00 0.00 178.15 177.77 1p6s h GLN 104 N 1.12 0.82 -0.78 2.37 -0.00 -1.11 -2.17 115.11 115.36 1p6s h GLN 104 Ca 0.27 -0.31 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 1p6s h GLN 104 Cb 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 27.54 1p6s h GLN 104 CO -0.03 0.93 0.46 1.98 0.00 0.00 0.00 178.83 182.17 1p6s h MET 105 N 0.64 1.06 -0.35 1.69 4.05 -1.06 -1.64 114.93 119.32 1p6s h MET 105 Ca 0.11 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1p6s h MET 105 Cb 0.63 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1p6s h MET 105 CO 0.04 0.75 -0.14 0.28 0.23 0.00 0.00 176.91 178.07 1p6s h VAL 106 N 1.08 1.28 -0.47 -5.77 2.07 -1.28 -2.98 116.25 110.18 1p6s h VAL 106 Ca 0.28 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1p6s h VAL 106 Cb -0.02 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1p6s h VAL 106 CO -0.05 0.41 0.22 0.00 0.02 0.00 0.00 177.57 178.17 1p6s h ALA 107 N 0.80 1.51 -0.98 1.67 0.00 -0.93 0.17 119.26 121.50 1p6s h ALA 107 Ca 0.08 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1p6s h ALA 107 Cb 0.68 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1p6s h ALA 107 CO 0.05 0.39 0.64 -0.91 0.00 0.00 0.00 179.25 179.42 1p6s h ASN 108 N 0.65 1.05 0.50 0.00 2.35 -1.15 -1.40 115.58 117.58 1p6s h ASN 108 Ca 0.16 -0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.62 1p6s h ASN 108 Cb 0.08 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1p6s h ASN 108 CO -0.02 0.70 -1.65 0.28 -1.65 0.00 0.00 177.43 175.09 1p6s h SER 109 N 1.21 0.07 -0.65 5.81 0.02 -1.44 -3.34 113.55 115.22 1p6s h SER 109 Ca 0.40 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1p6s h SER 109 Cb 0.06 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1p6s h SER 109 CO -0.13 1.12 0.40 -0.07 -1.14 0.00 0.00 176.83 177.00 1p6s h LEU 110 N 0.01 0.79 0.00 5.07 4.07 -0.35 -3.52 115.31 121.39 1p6s h LEU 110 Ca -0.27 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1p6s h LEU 110 Cb 1.99 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.53 1p6s h LEU 110 CO 0.09 0.61 0.00 0.29 -1.08 0.00 0.00 178.44 178.35