#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 6.68 -0.41 6.12 2.47 -1.26 -5.01 114.94 123.53 1p6s s ASN 2 Ca 0.00 0.81 0.07 0.00 0.42 0.00 0.00 52.86 54.16 1p6s s ASN 2 Cb 0.00 -2.27 0.23 0.00 -1.45 0.00 0.00 41.25 37.75 1p6s s ASN 2 CO 0.00 0.05 0.54 1.21 -3.72 0.00 0.00 177.10 175.18 1p6s n GLU 3 N 3.43 0.60 -3.98 0.43 4.07 -1.26 -5.09 120.64 118.83 1p6s n GLU 3 Ca -0.08 -2.95 -0.26 0.00 -0.06 0.00 0.00 57.16 53.81 1p6s n GLU 3 Cb 0.52 -1.36 -0.17 0.00 -0.06 0.00 0.00 31.44 30.37 1p6s n GLU 3 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1p6s s VAL 4 N -0.56 0.95 0.58 6.31 1.01 -1.26 -5.03 120.40 122.40 1p6s s VAL 4 Ca 0.34 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1p6s s VAL 4 Cb 0.14 -0.97 0.08 0.00 0.00 0.00 0.00 36.38 35.63 1p6s s VAL 4 CO -0.15 0.35 0.80 -0.55 0.00 0.00 0.00 175.10 175.55 1p6s s SER 5 N 1.58 5.05 -0.03 3.32 0.15 -1.26 -4.80 113.70 117.72 1p6s s SER 5 Ca 0.02 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 55.78 1p6s s SER 5 Cb -0.13 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 1p6s s SER 5 CO -0.06 -1.35 0.68 -0.69 1.20 0.00 0.00 173.24 173.03 1p6s s VAL 6 N -2.71 4.94 -0.21 4.45 1.01 -1.26 -0.76 120.40 125.86 1p6s s VAL 6 Ca 0.61 1.43 0.12 0.00 0.00 0.00 0.00 61.98 64.14 1p6s s VAL 6 Cb -0.06 -4.03 -0.21 0.00 0.00 0.00 0.00 36.38 32.08 1p6s s VAL 6 CO 0.39 0.32 -0.04 -0.38 0.00 0.00 0.00 175.10 175.39 1p6s n ILE 7 N 3.29 1.36 -4.18 2.22 -0.00 0.16 -4.86 119.36 117.36 1p6s n ILE 7 Ca -0.03 -0.72 -0.16 0.00 -0.00 0.00 0.00 62.75 61.84 1p6s n ILE 7 Cb 0.51 -0.82 -0.14 0.00 -0.00 0.00 0.00 39.64 39.19 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 -2.48 0.46 -0.03 0.38 2.47 -0.84 -4.99 119.74 114.71 1p6s s LYS 8 Ca -0.18 -0.19 0.00 0.00 -1.56 0.00 0.00 55.97 54.03 1p6s s LYS 8 Cb 0.07 -0.45 0.03 0.00 -1.46 0.00 0.00 37.83 36.02 1p6s s LYS 8 CO 0.71 0.11 0.01 -1.83 0.16 0.00 0.00 175.35 174.52 1p6s s GLU 9 N -0.09 0.19 0.03 4.03 -1.05 -1.26 0.31 118.70 120.85 1p6s s GLU 9 Ca 0.02 0.12 -0.29 0.00 -0.15 0.00 0.00 54.97 54.66 1p6s s GLU 9 Cb -0.03 -0.41 0.10 0.00 -0.44 0.00 0.00 34.13 33.36 1p6s s GLU 9 CO -0.00 -0.15 1.16 0.20 0.95 0.00 0.00 175.26 177.42 1p6s s GLY 10 N 1.05 -0.35 0.13 -3.83 0.00 -0.67 -5.03 107.32 98.62 1p6s s GLY 10 Ca -0.09 0.58 -0.17 0.00 0.00 0.00 0.00 44.72 45.03 1p6s s GLY 10 CO -0.02 0.12 0.59 -0.98 0.00 0.00 0.00 173.10 172.80 1p6s s TRP 11 N -2.72 3.70 0.05 1.90 0.52 -1.26 0.37 118.94 121.50 1p6s s TRP 11 Ca 0.13 1.21 0.00 0.00 0.02 0.00 0.00 56.10 57.46 1p6s s TRP 11 Cb 0.02 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.84 1p6s s TRP 11 CO -0.02 0.48 -0.05 -0.51 0.02 0.00 0.00 176.95 176.88 1p6s s LEU 12 N -1.59 2.37 -0.20 2.99 1.43 0.13 -4.33 118.68 119.49 1p6s s LEU 12 Ca 0.35 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1p6s s LEU 12 Cb -0.17 0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 1p6s s LEU 12 CO 0.19 -0.41 0.30 -1.00 0.23 0.00 0.00 176.35 175.67 1p6s s HIS 13 N -2.61 3.39 -0.01 0.29 3.76 0.22 0.80 115.29 121.13 1p6s s HIS 13 Ca -0.03 0.51 0.07 0.00 -0.15 0.00 0.00 55.06 55.47 1p6s s HIS 13 Cb -0.02 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.26 1p6s s HIS 13 CO -0.04 0.10 -0.22 0.21 -0.85 0.00 0.00 174.74 173.94 1p6s s LYS 14 N 0.95 1.70 0.49 1.40 2.36 0.48 0.22 119.74 127.35 1p6s s LYS 14 Ca 0.15 -0.80 -0.21 0.00 -2.55 0.00 0.00 55.97 52.56 1p6s s LYS 14 Cb -0.14 -1.67 -0.07 0.00 -1.05 0.00 0.00 37.83 34.90 1p6s s LYS 14 CO 0.06 0.45 1.13 0.50 1.55 0.00 0.00 175.35 179.04 1p6s s ARG 15 N -0.60 3.63 0.00 4.03 3.52 -1.26 -0.30 118.95 127.97 1p6s s ARG 15 Ca 0.08 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 1p6s s ARG 15 Cb -0.08 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1p6s s ARG 15 CO -0.00 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.26 1p6s n GLY 16 N 0.26 0.55 0.00 8.12 0.00 -0.32 -4.86 105.19 108.93 1p6s n GLY 16 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1p6s n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1p6s n GLU 17 N 0.00 2.90 0.28 1.61 0.00 -1.26 -4.86 120.64 119.31 1p6s n GLU 17 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.34 1p6s n GLU 17 Cb 0.00 0.00 0.95 0.00 0.00 0.00 0.00 31.44 32.39 1p6s n GLU 17 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.13 177.23 1p6s h TYR 18 N 0.00 0.00 -4.07 -1.84 -0.00 -2.00 -3.43 116.97 105.63 1p6s h TYR 18 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 58.73 58.21 1p6s h TYR 18 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 36.73 36.82 1p6s h TYR 18 CO 0.00 0.00 0.47 -1.50 -0.00 0.00 0.00 178.16 177.13 1p6s s ILE 19 N -4.44 2.82 -0.78 -0.90 1.10 -1.26 -4.91 121.20 112.83 1p6s s ILE 19 Ca -0.05 0.54 -0.04 0.00 -0.51 0.00 0.00 60.65 60.59 1p6s s ILE 19 Cb 0.14 -3.23 0.13 0.00 0.15 0.00 0.00 42.46 39.64 1p6s s ILE 19 CO 0.48 -0.08 2.52 0.29 -2.11 0.00 0.00 174.94 176.03 1p6s n LYS 20 N -1.26 3.27 -5.04 3.50 5.02 -1.26 -4.45 118.16 117.94 1p6s n LYS 20 Ca 0.12 -2.95 -0.32 0.00 -2.02 0.00 0.00 58.31 53.14 1p6s n LYS 20 Cb 0.49 -2.32 -0.14 0.00 -0.02 0.00 0.00 35.03 33.04 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 -2.42 2.55 -0.14 -0.18 2.01 -1.26 -5.03 115.64 111.18 1p6s s THR 21 Ca 0.55 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 1p6s s THR 21 Cb 0.32 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1p6s s THR 21 CO -0.20 0.54 -0.07 0.26 -0.69 0.00 0.00 174.62 174.46 1p6s s TRP 22 N -0.71 2.94 0.02 4.92 0.52 -1.26 -1.18 118.94 124.19 1p6s s TRP 22 Ca 0.11 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 55.92 1p6s s TRP 22 Cb -0.10 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1p6s s TRP 22 CO 0.01 -0.06 -0.20 1.03 0.02 0.00 0.00 176.95 177.75 1p6s s ARG 23 N 0.24 2.10 0.25 4.98 1.81 0.60 -4.81 118.95 124.12 1p6s s ARG 23 Ca -0.05 -0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 52.72 1p6s s ARG 23 Cb -0.14 -2.16 -0.09 0.00 -0.45 0.00 0.00 34.95 32.10 1p6s s ARG 23 CO 0.04 0.55 1.16 -1.25 -0.68 0.00 0.00 175.30 175.12 1p6s s PRO 24 N -1.17 4.55 -0.02 3.54 0.04 -1.26 -0.38 135.00 140.30 1p6s s PRO 24 Ca 0.13 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1p6s s PRO 24 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1p6s s PRO 24 CO 0.03 0.05 0.08 1.03 0.04 0.00 0.00 177.00 178.22 1p6s s ARG 25 N -1.01 0.18 -0.53 4.56 3.00 0.24 -4.92 118.95 120.47 1p6s s ARG 25 Ca 0.48 -0.06 -0.28 0.00 0.00 0.00 0.00 55.73 55.88 1p6s s ARG 25 Cb -0.33 0.08 0.00 0.00 0.00 0.00 0.00 34.95 34.70 1p6s s ARG 25 CO 0.41 -0.03 1.55 -0.47 0.00 0.00 0.00 175.30 176.76 1p6s s TYR 26 N -0.37 2.10 -0.07 -0.53 6.14 0.34 0.21 117.35 125.18 1p6s s TYR 26 Ca -0.04 0.56 -0.17 0.00 0.64 0.00 0.00 57.07 58.05 1p6s s TYR 26 Cb -0.03 -4.30 -0.05 0.00 0.42 0.00 0.00 41.96 38.01 1p6s s TYR 26 CO 0.00 -2.18 0.45 -0.06 0.64 0.00 0.00 175.55 174.40 1p6s s PHE 27 N 6.71 3.60 -0.14 4.97 0.40 0.16 0.41 117.98 134.08 1p6s s PHE 27 Ca 0.59 0.93 0.02 0.00 -0.60 0.00 0.00 56.93 57.88 1p6s s PHE 27 Cb -0.13 -2.45 0.01 0.00 0.51 0.00 0.00 43.02 40.96 1p6s s PHE 27 CO 0.26 0.35 -0.21 -0.51 0.70 0.00 0.00 175.22 175.81 1p6s s LEU 28 N -0.03 2.07 -0.22 -0.37 2.01 0.16 -1.67 118.68 120.62 1p6s s LEU 28 Ca 0.25 -0.59 -0.12 0.00 0.01 0.00 0.00 54.13 53.68 1p6s s LEU 28 Cb -0.16 -1.41 -0.05 0.00 0.01 0.00 0.00 46.19 44.58 1p6s s LEU 28 CO 0.11 0.06 0.22 -0.22 1.01 0.00 0.00 176.35 177.53 1p6s s LEU 29 N 0.92 4.14 0.61 1.79 2.96 0.15 0.24 118.68 129.49 1p6s s LEU 29 Ca -0.05 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1p6s s LEU 29 Cb -0.15 -2.21 0.08 0.00 0.50 0.00 0.00 46.19 44.40 1p6s s LEU 29 CO -0.04 0.04 0.85 -0.54 -1.32 0.00 0.00 176.35 175.35 1p6s s LYS 30 N 1.04 2.17 0.00 1.98 1.02 -0.23 0.36 119.74 126.08 1p6s s LYS 30 Ca 0.11 -1.09 0.28 0.00 0.02 0.00 0.00 55.97 55.29 1p6s s LYS 30 Cb -0.14 -2.47 1.37 0.00 -0.52 0.00 0.00 37.83 36.08 1p6s s LYS 30 CO 0.05 -1.00 1.96 0.45 -0.92 0.00 0.00 175.35 175.88 1p6s n SER 31 N -2.49 0.00 0.03 2.83 2.88 0.06 -3.09 113.62 113.84 1p6s n SER 31 Ca 0.12 0.03 0.12 0.00 -1.33 0.00 0.00 58.87 57.81 1p6s n SER 31 Cb 0.60 -0.34 0.23 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.34 0.58 -0.02 -3.46 2.03 -1.26 -4.86 116.55 108.22 1p6s n ASP 32 Ca 0.12 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1p6s n ASP 32 Cb 0.25 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 1.41 1.07 3.25 0.27 0.00 -1.18 -4.67 105.19 105.34 1p6s n GLY 33 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.04 2.17 -0.13 1.61 0.15 -1.26 -0.32 113.70 113.87 1p6s s SER 34 Ca 0.00 -0.75 0.02 0.00 0.70 0.00 0.00 55.95 55.92 1p6s s SER 34 Cb 0.00 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1p6s s SER 34 CO 0.00 -0.07 -0.19 0.12 1.20 0.00 0.00 173.24 174.30 1p6s s PHE 35 N -1.74 2.40 -0.26 3.44 2.19 0.41 -1.07 117.98 123.36 1p6s s PHE 35 Ca 0.07 -1.22 -0.08 0.00 0.33 0.00 0.00 56.93 56.03 1p6s s PHE 35 Cb -0.07 -1.68 -0.03 0.00 -1.31 0.00 0.00 43.02 39.93 1p6s s PHE 35 CO 0.04 -0.59 0.10 0.42 1.83 0.00 0.00 175.22 177.02 1p6s s ILE 36 N 0.97 4.59 -0.43 3.12 -1.09 0.14 0.11 121.20 128.61 1p6s s ILE 36 Ca -0.05 -0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.13 1p6s s ILE 36 Cb -0.15 -3.16 0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1p6s s ILE 36 CO -0.04 0.31 0.41 -0.83 -1.23 0.00 0.00 174.94 173.57 1p6s s GLY 37 N 1.66 1.92 0.11 6.18 0.00 0.15 0.37 107.32 117.70 1p6s s GLY 37 Ca 0.07 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 43.08 1p6s s GLY 37 CO 0.06 1.12 0.43 -0.19 0.00 0.00 0.00 173.10 174.51 1p6s s TYR 38 N 2.03 3.56 0.17 1.90 1.51 0.16 -1.31 117.35 125.38 1p6s s TYR 38 Ca 0.10 0.80 0.13 0.00 -1.01 0.00 0.00 57.07 57.09 1p6s s TYR 38 Cb -0.18 -2.18 0.31 0.00 -0.11 0.00 0.00 41.96 39.81 1p6s s TYR 38 CO 0.12 0.48 1.57 1.57 -1.11 0.00 0.00 175.55 178.18 1p6s h LYS 39 N 3.51 0.00 0.00 -0.62 2.10 -1.92 0.98 116.57 120.62 1p6s h LYS 39 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1p6s h LYS 39 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1p6s h LYS 39 CO 0.67 0.61 0.00 0.39 -2.00 0.00 0.00 179.45 179.12 1p6s n GLU 40 N -3.59 1.59 -3.23 0.07 -0.58 -1.26 -4.69 120.64 108.94 1p6s n GLU 40 Ca -0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.47 1p6s n GLU 40 Cb 0.66 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.46 1p6s n GLU 40 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1p6s n ARG 41 N 0.00 2.54 -2.17 3.49 1.85 -1.26 -4.29 116.66 116.82 1p6s n ARG 41 Ca 0.00 -4.56 -0.32 0.00 -1.00 0.00 0.00 57.85 51.97 1p6s n ARG 41 Cb 0.00 -2.14 -0.01 0.00 -1.05 0.00 0.00 32.46 29.26 1p6s n ARG 41 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1p6s s PRO 42 N -2.70 3.59 0.00 2.89 0.04 -1.26 -5.00 135.00 132.56 1p6s s PRO 42 Ca 0.43 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1p6s s PRO 42 Cb 0.20 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1p6s s PRO 42 CO -0.06 -0.57 0.00 -1.91 0.04 0.00 0.00 177.00 174.49 1p6s n GLU 43 N -1.92 0.00 -0.65 4.56 2.13 -1.26 -5.09 120.64 118.41 1p6s n GLU 43 Ca 0.08 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.98 1p6s n GLU 43 Cb 0.53 -0.77 -0.04 0.00 0.27 0.00 0.00 31.44 31.43 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 -2.18 -1.71 -0.03 4.31 0.00 -1.26 -4.72 120.51 114.91 1p6s n ALA 44 Ca 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1p6s n ALA 44 Cb 0.31 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.64 0.44 0.00 0.00 0.13 -2.01 -3.45 132.00 126.47 1p6s h PRO 45 Ca -0.09 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1p6s h PRO 45 Cb 0.62 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1p6s h PRO 45 CO 0.03 0.97 0.00 -3.47 -0.23 0.00 0.00 178.00 175.30 1p6s n ASP 46 N -4.34 0.10 -2.68 1.44 -0.08 -1.26 -5.04 116.55 104.69 1p6s n ASP 46 Ca -0.08 0.02 -0.06 0.00 -1.51 0.00 0.00 54.79 53.17 1p6s n ASP 46 Cb 0.53 -0.03 0.07 0.00 2.34 0.00 0.00 41.12 44.04 1p6s n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p6s n GLN 47 N -2.61 0.69 -2.16 -0.67 1.13 -1.26 -5.02 117.38 107.49 1p6s n GLN 47 Ca 0.00 -1.31 -0.36 0.00 -1.94 0.00 0.00 57.00 53.39 1p6s n GLN 47 Cb 0.00 -0.19 0.02 0.00 0.11 0.00 0.00 30.24 30.18 1p6s n GLN 47 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1p6s n THR 48 N -0.28 3.37 -3.68 5.09 5.66 -1.26 -4.98 114.28 118.20 1p6s n THR 48 Ca -0.10 -4.62 -0.37 0.00 -3.05 0.00 0.00 64.05 55.90 1p6s n THR 48 Cb 0.75 -1.27 -0.11 0.00 -1.55 0.00 0.00 70.33 68.14 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 -3.92 3.83 0.06 1.09 1.02 -1.26 -4.96 118.68 114.55 1p6s s LEU 49 Ca 0.50 -0.05 -0.30 0.00 0.02 0.00 0.00 54.13 54.29 1p6s s LEU 49 Cb 0.41 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 44.52 1p6s s LEU 49 CO -0.33 -0.02 1.12 -2.16 0.02 0.00 0.00 176.35 174.98 1p6s s PRO 50 N 1.55 4.50 0.08 1.29 0.04 -1.26 -5.00 135.00 136.19 1p6s s PRO 50 Ca 0.07 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1p6s s PRO 50 Cb -0.15 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.96 1p6s s PRO 50 CO 0.07 -0.14 1.19 -1.25 0.04 0.00 0.00 177.00 176.91 1p6s s PRO 51 N 0.83 4.45 -0.14 0.56 0.04 -1.26 -4.96 135.00 134.53 1p6s s PRO 51 Ca 0.55 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 63.23 1p6s s PRO 51 Cb -0.27 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.88 1p6s s PRO 51 CO 0.30 -0.21 -0.27 -0.11 0.04 0.00 0.00 177.00 176.74 1p6s n LEU 52 N 3.65 1.71 -4.31 -3.56 7.94 -1.26 -4.99 117.00 116.18 1p6s n LEU 52 Ca 0.08 0.28 -0.32 0.00 -1.11 0.00 0.00 56.01 54.94 1p6s n LEU 52 Cb 0.46 -0.65 -0.16 0.00 0.53 0.00 0.00 43.42 43.61 1p6s n LEU 52 CO 0.55 -0.20 -0.51 0.21 -1.11 0.00 0.00 177.39 176.34 1p6s s ASN 53 N -6.15 3.54 -0.17 1.96 3.04 -0.43 -4.96 114.94 111.77 1p6s s ASN 53 Ca -0.24 -0.43 0.01 0.00 0.04 0.00 0.00 52.86 52.23 1p6s s ASN 53 Cb 0.05 -1.38 0.02 0.00 -1.54 0.00 0.00 41.25 38.40 1p6s s ASN 53 CO 0.34 0.19 -0.16 0.20 -3.04 0.00 0.00 177.10 174.63 1p6s s ASN 54 N 0.20 2.95 0.09 -4.21 -0.87 -1.26 0.32 114.94 112.16 1p6s s ASN 54 Ca -0.11 -0.60 0.05 0.00 -1.57 0.00 0.00 52.86 50.63 1p6s s ASN 54 Cb -0.16 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.25 39.71 1p6s s ASN 54 CO 0.06 -0.04 -0.03 -0.36 -2.57 0.00 0.00 177.10 174.16 1p6s s PHE 55 N 1.39 2.91 -0.09 2.20 0.40 0.30 -4.94 117.98 120.16 1p6s s PHE 55 Ca 0.04 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1p6s s PHE 55 Cb -0.13 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1p6s s PHE 55 CO -0.11 0.46 -0.13 -1.54 0.70 0.00 0.00 175.22 174.59 1p6s s SER 56 N -2.20 2.09 -0.10 1.36 1.04 -1.26 -0.45 113.70 114.18 1p6s s SER 56 Ca 0.24 -0.35 0.18 0.00 0.48 0.00 0.00 55.95 56.50 1p6s s SER 56 Cb -0.11 -0.93 0.41 0.00 0.10 0.00 0.00 66.02 65.48 1p6s s SER 56 CO 0.16 0.01 1.19 0.55 0.98 0.00 0.00 173.24 176.13 1p6s n VAL 57 N 4.10 1.06 0.02 5.02 3.14 0.56 -4.66 118.33 127.57 1p6s n VAL 57 Ca -0.20 -2.03 -0.19 0.00 -2.96 0.00 0.00 64.34 58.97 1p6s n VAL 57 Cb 0.51 0.38 -0.12 0.00 -1.06 0.00 0.00 33.84 33.56 1p6s n VAL 57 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p6s h ALA 58 N 0.93 0.05 0.00 1.55 0.00 -1.81 -3.36 119.26 116.62 1p6s h ALA 58 Ca -0.11 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1p6s h ALA 58 Cb 1.45 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.16 1p6s h ALA 58 CO 0.05 0.44 -0.63 -0.85 0.00 0.00 0.00 179.25 178.25 1p6s n GLU 59 N -4.11 0.96 -3.90 0.00 -0.00 -1.26 -5.07 120.64 107.25 1p6s n GLU 59 Ca -0.11 -2.69 -0.26 0.00 -0.00 0.00 0.00 57.16 54.10 1p6s n GLU 59 Cb 0.75 -1.02 -0.02 0.00 -0.00 0.00 0.00 31.44 31.16 1p6s n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1p6s s GLN 61 N -4.21 3.02 -0.02 0.00 -0.44 0.63 -4.97 119.66 113.67 1p6s s GLN 61 Ca 0.35 -0.53 0.01 0.00 -2.50 0.00 0.00 55.36 52.70 1p6s s GLN 61 Cb -0.02 -2.82 0.01 0.00 -1.64 0.00 0.00 33.01 28.54 1p6s s GLN 61 CO 0.21 0.63 -0.05 -1.17 0.50 0.00 0.00 175.29 175.41 1p6s s LEU 62 N -1.86 1.63 -0.00 3.68 0.20 -1.26 -1.14 118.68 119.92 1p6s s LEU 62 Ca 0.24 -0.12 -0.09 0.00 0.69 0.00 0.00 54.13 54.85 1p6s s LEU 62 Cb -0.12 -0.38 0.01 0.00 -0.43 0.00 0.00 46.19 45.27 1p6s s LEU 62 CO 0.15 0.00 0.18 0.00 -0.29 0.00 0.00 176.35 176.40 1p6s s MET 63 N 0.43 0.53 0.32 1.98 0.23 0.11 -4.99 119.30 117.91 1p6s s MET 63 Ca -0.05 -0.34 -0.09 0.00 -1.03 0.00 0.00 55.69 54.18 1p6s s MET 63 Cb -0.09 0.23 -0.06 0.00 -1.53 0.00 0.00 34.83 33.37 1p6s s MET 63 CO -0.00 -0.13 0.64 0.15 -2.03 0.00 0.00 175.02 173.65 1p6s s LYS 64 N -1.36 3.75 0.32 3.16 1.02 -1.26 0.15 119.74 125.52 1p6s s LYS 64 Ca -0.14 0.27 -0.10 0.00 0.02 0.00 0.00 55.97 56.02 1p6s s LYS 64 Cb -0.07 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1p6s s LYS 64 CO 0.02 0.15 0.57 -0.08 -0.92 0.00 0.00 175.35 175.09 1p6s s THR 65 N -2.12 0.00 -0.12 2.17 -1.32 0.08 -4.86 115.64 109.47 1p6s s THR 65 Ca 0.48 -1.36 0.17 0.00 -1.21 0.00 0.00 61.69 59.78 1p6s s THR 65 Cb -0.11 -2.53 0.27 0.00 -1.51 0.00 0.00 72.50 68.62 1p6s s THR 65 CO 0.28 0.00 1.14 -1.84 -2.21 0.00 0.00 174.62 171.98 1p6s n GLU 66 N -0.49 1.17 -4.21 7.08 0.28 -1.26 -1.19 120.64 122.03 1p6s n GLU 66 Ca -0.02 -2.45 -0.16 0.00 -0.16 0.00 0.00 57.16 54.36 1p6s n GLU 66 Cb 0.61 -1.42 -0.13 0.00 1.43 0.00 0.00 31.44 31.93 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 -2.64 0.63 0.44 3.44 0.52 -1.26 -3.37 118.95 116.72 1p6s s ARG 67 Ca 0.29 -0.54 0.29 0.00 -0.52 0.00 0.00 55.73 55.25 1p6s s ARG 67 Cb 0.26 -0.55 1.11 0.00 0.52 0.00 0.00 34.95 36.28 1p6s s ARG 67 CO 0.03 0.13 1.86 -1.00 0.02 0.00 0.00 175.30 176.34 1p6s h PRO 68 N 5.22 0.00 -6.20 3.54 0.13 -2.01 -3.48 132.00 129.21 1p6s h PRO 68 Ca -0.33 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.20 1p6s h PRO 68 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1p6s h PRO 68 CO 0.45 0.00 -0.73 0.50 -0.23 0.00 0.00 178.00 177.99 1p6s s ARG 69 N -3.48 1.81 0.78 0.86 3.52 -1.23 -5.13 118.95 116.09 1p6s s ARG 69 Ca 0.03 -1.71 -0.11 0.00 -0.13 0.00 0.00 55.73 53.82 1p6s s ARG 69 Cb 0.09 -1.85 0.06 0.00 -1.56 0.00 0.00 34.95 31.69 1p6s s ARG 69 CO 0.52 0.33 1.10 -1.25 -0.81 0.00 0.00 175.30 175.19 1p6s s PRO 70 N -3.55 2.15 -1.11 5.12 0.04 -1.22 -4.06 135.00 132.38 1p6s s PRO 70 Ca 0.30 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 1p6s s PRO 70 Cb -0.05 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1p6s s PRO 70 CO 0.16 -1.73 0.87 0.09 0.04 0.00 0.00 177.00 176.44 1p6s n ASN 71 N -3.55 -5.44 -4.47 6.66 3.02 -1.24 -4.85 115.26 105.39 1p6s n ASN 71 Ca 0.09 -0.79 -0.26 0.00 -0.03 0.00 0.00 54.58 53.59 1p6s n ASN 71 Cb 0.53 -4.63 -0.11 0.00 -0.61 0.00 0.00 39.78 34.96 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 -3.43 2.59 -0.09 3.41 2.01 -0.33 -3.35 115.64 116.45 1p6s s THR 72 Ca 0.39 -2.03 0.04 0.00 0.31 0.00 0.00 61.69 60.40 1p6s s THR 72 Cb -0.08 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 1p6s s THR 72 CO 0.78 -0.18 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.94 1p6s s PHE 73 N -1.87 2.55 -0.12 4.92 0.08 0.79 -0.74 117.98 123.59 1p6s s PHE 73 Ca 0.24 -0.85 0.02 0.00 0.12 0.00 0.00 56.93 56.46 1p6s s PHE 73 Cb -0.07 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1p6s s PHE 73 CO 0.12 -0.30 -0.19 0.08 -0.10 0.00 0.00 175.22 174.83 1p6s s VAL 74 N 0.11 2.49 -0.16 -0.44 1.01 0.12 -0.30 120.40 123.24 1p6s s VAL 74 Ca -0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1p6s s VAL 74 Cb -0.16 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.26 1p6s s VAL 74 CO 0.06 0.54 -0.02 -0.51 0.00 0.00 0.00 175.10 175.18 1p6s s ILE 75 N 0.43 0.84 0.16 2.22 2.07 -0.12 0.05 121.20 126.84 1p6s s ILE 75 Ca -0.14 -0.51 0.09 0.00 -1.41 0.00 0.00 60.65 58.68 1p6s s ILE 75 Cb -0.17 -1.11 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 1p6s s ILE 75 CO 0.06 0.04 -0.21 -0.60 -1.91 0.00 0.00 174.94 172.32 1p6s s ARG 76 N 1.74 1.33 0.00 3.50 3.52 -0.30 -4.30 118.95 124.44 1p6s s ARG 76 Ca 0.01 -1.40 0.00 0.00 -0.13 0.00 0.00 55.73 54.21 1p6s s ARG 76 Cb -0.15 -1.53 0.00 0.00 -1.56 0.00 0.00 34.95 31.70 1p6s s ARG 76 CO -0.07 0.33 0.00 0.00 -0.81 0.00 0.00 175.30 174.75 1p6s h LEU 78 N 0.00 0.00 -2.01 0.00 5.85 -1.99 -3.48 115.31 113.68 1p6s h LEU 78 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1p6s h LEU 78 Cb 0.00 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 40.91 1p6s h LEU 78 CO 0.00 0.18 -1.50 0.00 -0.34 0.00 0.00 178.44 176.78 1p6s n GLN 79 N -3.71 -4.54 -0.09 1.25 6.02 -1.26 -5.02 117.38 110.02 1p6s n GLN 79 Ca -0.02 3.42 -0.17 0.00 -0.01 0.00 0.00 57.00 60.22 1p6s n GLN 79 Cb 0.29 -4.90 -0.06 0.00 1.02 0.00 0.00 30.24 26.59 1p6s n GLN 79 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1p6s n TRP 80 N 1.67 0.00 -0.09 1.08 -0.00 -1.26 -4.88 117.44 113.95 1p6s n TRP 80 Ca -0.37 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 56.93 1p6s n TRP 80 Cb 0.57 -0.61 -0.07 0.00 -0.00 0.00 0.00 31.31 31.21 1p6s n TRP 80 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1p6s n THR 81 N -3.96 1.04 -3.26 5.87 -1.04 -1.26 -4.96 114.28 106.71 1p6s n THR 81 Ca -0.31 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.05 61.05 1p6s n THR 81 Cb 0.66 -1.73 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 1p6s n THR 81 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1p6s s THR 82 N -2.35 5.16 -0.51 12.58 -4.23 -1.26 -5.03 115.64 120.00 1p6s s THR 82 Ca -0.26 1.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.32 1p6s s THR 82 Cb 0.10 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 70.22 1p6s s THR 82 CO 0.34 0.30 0.30 0.54 -0.54 0.00 0.00 174.62 175.55 1p6s s VAL 83 N 0.75 1.97 0.25 2.29 0.11 -1.26 -4.71 120.40 119.81 1p6s s VAL 83 Ca 0.28 -3.12 0.01 0.00 -2.93 0.00 0.00 61.98 56.23 1p6s s VAL 83 Cb -0.16 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 1p6s s VAL 83 CO 0.12 -0.91 0.13 -0.51 -3.33 0.00 0.00 175.10 170.60 1p6s s ILE 84 N -0.20 0.30 -0.58 7.04 2.07 -1.26 -5.11 121.20 123.46 1p6s s ILE 84 Ca 0.20 -2.00 -0.21 0.00 -1.41 0.00 0.00 60.65 57.23 1p6s s ILE 84 Cb -0.19 -2.56 0.08 0.00 0.13 0.00 0.00 42.46 39.91 1p6s s ILE 84 CO -0.04 0.00 0.79 -0.70 -1.91 0.00 0.00 174.94 173.07 1p6s s GLU 85 N -4.00 3.12 -0.78 3.50 2.12 -1.26 -4.99 118.70 116.40 1p6s s GLU 85 Ca 0.38 -0.95 -0.26 0.00 0.36 0.00 0.00 54.97 54.50 1p6s s GLU 85 Cb 0.07 -4.19 0.03 0.00 0.26 0.00 0.00 34.13 30.30 1p6s s GLU 85 CO 0.15 -1.53 1.36 1.03 -0.54 0.00 0.00 175.26 175.72 1p6s s ARG 86 N 3.21 3.21 -0.00 4.30 0.52 -1.26 -4.97 118.95 123.95 1p6s s ARG 86 Ca 0.18 -0.33 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 1p6s s ARG 86 Cb -0.19 -4.40 -0.01 0.00 0.52 0.00 0.00 34.95 30.86 1p6s s ARG 86 CO 0.10 -2.22 -0.11 0.99 0.02 0.00 0.00 175.30 174.08 1p6s s THR 87 N 5.91 0.87 0.04 0.02 2.01 -1.26 -0.94 115.64 122.30 1p6s s THR 87 Ca 0.40 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1p6s s THR 87 Cb -0.07 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1p6s s THR 87 CO 0.11 0.22 -0.10 0.72 -0.69 0.00 0.00 174.62 174.87 1p6s s PHE 88 N -0.31 0.88 0.15 4.92 -0.12 0.59 -4.53 117.98 119.55 1p6s s PHE 88 Ca 0.04 -0.43 0.05 0.00 -0.05 0.00 0.00 56.93 56.54 1p6s s PHE 88 Cb -0.05 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 1p6s s PHE 88 CO -0.00 -0.02 0.11 -1.01 -0.05 0.00 0.00 175.22 174.25 1p6s s HIS 89 N -1.15 3.13 0.25 3.49 3.76 0.13 -0.15 115.29 124.76 1p6s s HIS 89 Ca -0.05 -0.01 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 1p6s s HIS 89 Cb -0.09 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 1p6s s HIS 89 CO 0.01 0.52 0.39 0.14 -0.85 0.00 0.00 174.74 174.95 1p6s s VAL 90 N -1.67 5.24 0.24 -0.90 -7.23 -1.21 0.70 120.40 115.57 1p6s s VAL 90 Ca 0.30 -0.83 0.12 0.00 -1.81 0.00 0.00 61.98 59.76 1p6s s VAL 90 Cb -0.10 -3.84 0.01 0.00 0.56 0.00 0.00 36.38 33.00 1p6s s VAL 90 CO 0.23 -0.34 1.63 0.44 -0.31 0.00 0.00 175.10 176.75 1p6s h ASP 91 N 1.23 0.00 -5.29 4.85 3.32 -1.93 -3.44 116.42 115.16 1p6s h ASP 91 Ca -0.51 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 1p6s h ASP 91 Cb 1.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.67 1p6s h ASP 91 CO 0.62 0.57 -0.22 -0.94 -1.72 0.00 0.00 179.24 177.55 1p6s s SER 92 N -6.75 -0.04 0.17 6.45 1.04 -1.26 -5.04 113.70 108.26 1p6s s SER 92 Ca -0.01 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 1p6s s SER 92 Cb 0.12 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.81 1p6s s SER 92 CO 0.75 -1.06 1.56 1.55 0.98 0.00 0.00 173.24 177.02 1p6s h PRO 93 N 2.35 0.98 -0.36 4.02 0.13 -1.96 -2.63 132.00 134.53 1p6s h PRO 93 Ca -0.28 -0.41 -0.07 0.00 -0.87 0.00 0.00 66.00 64.37 1p6s h PRO 93 Cb 1.25 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1p6s h PRO 93 CO 0.40 1.09 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.75 1p6s h ASP 94 N 0.85 0.58 -0.21 1.44 5.19 -2.00 -2.65 116.42 119.61 1p6s h ASP 94 Ca 0.11 -0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1p6s h ASP 94 Cb 0.78 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 1p6s h ASP 94 CO 0.06 0.69 -0.02 -0.08 -3.12 0.00 0.00 179.24 176.78 1p6s h GLU 95 N 0.56 0.39 -0.88 3.56 4.57 -1.92 -2.41 114.58 118.45 1p6s h GLU 95 Ca 0.11 -0.13 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1p6s h GLU 95 Cb 0.45 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.94 1p6s h GLU 95 CO 0.02 0.60 0.53 -0.09 -1.18 0.00 0.00 179.01 178.89 1p6s h ARG 96 N 0.14 0.89 -0.78 1.92 1.12 -1.31 -0.31 114.38 116.05 1p6s h ARG 96 Ca 0.06 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 1p6s h ARG 96 Cb 0.43 -0.20 -0.04 0.00 -0.01 0.00 0.00 29.97 30.16 1p6s h ARG 96 CO 0.01 0.59 0.34 1.49 -3.11 0.00 0.00 179.97 179.29 1p6s h GLU 97 N 0.92 1.14 -0.51 0.20 4.22 -1.30 -2.16 114.58 117.08 1p6s h GLU 97 Ca 0.41 -0.19 -0.12 0.00 0.08 0.00 0.00 59.36 59.54 1p6s h GLU 97 Cb 0.30 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1p6s h GLU 97 CO -0.22 0.91 -0.16 1.49 -2.18 0.00 0.00 179.01 178.85 1p6s h GLU 98 N 1.12 1.01 -0.50 1.92 4.22 -0.71 -2.72 114.58 118.93 1p6s h GLU 98 Ca 0.26 -0.41 0.01 0.00 0.08 0.00 0.00 59.36 59.31 1p6s h GLU 98 Cb 0.17 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1p6s h GLU 98 CO -0.03 1.09 0.32 -1.49 -2.18 0.00 0.00 179.01 176.73 1p6s h TRP 99 N 0.88 0.61 -0.95 0.92 -0.00 -0.71 -1.22 115.95 115.47 1p6s h TRP 99 Ca 0.12 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.06 1p6s h TRP 99 Cb 0.74 -0.21 -0.05 0.00 -0.00 0.00 0.00 29.16 29.64 1p6s h TRP 99 CO 0.05 0.38 0.63 1.98 -0.00 0.00 0.00 178.44 181.48 1p6s h MET 100 N 0.66 1.20 -0.45 0.49 4.05 -1.31 -1.30 114.93 118.26 1p6s h MET 100 Ca 0.18 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1p6s h MET 100 Cb -0.06 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.44 1p6s h MET 100 CO -0.05 0.79 0.22 -0.09 0.23 0.00 0.00 176.91 178.02 1p6s h ARG 101 N 1.24 0.65 -0.56 0.39 2.43 -1.03 -2.16 114.38 115.34 1p6s h ARG 101 Ca 0.37 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1p6s h ARG 101 Cb -0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1p6s h ARG 101 CO -0.10 0.55 0.27 0.00 -1.51 0.00 0.00 179.97 179.18 1p6s h ALA 102 N 1.07 0.71 -0.95 2.80 0.00 -0.55 -1.60 119.26 120.75 1p6s h ALA 102 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1p6s h ALA 102 Cb 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1p6s h ALA 102 CO -0.02 0.27 0.61 0.82 0.00 0.00 0.00 179.25 180.93 1p6s h ILE 103 N 0.75 1.15 -0.45 0.00 2.04 -1.02 -1.73 117.51 118.25 1p6s h ILE 103 Ca 0.19 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1p6s h ILE 103 Cb 0.11 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 1p6s h ILE 103 CO -0.03 0.22 -0.03 -0.61 0.00 0.00 0.00 178.15 177.70 1p6s h GLN 104 N 1.18 0.82 -0.85 2.37 5.75 -0.99 -1.55 115.11 121.84 1p6s h GLN 104 Ca 0.38 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1p6s h GLN 104 Cb 0.03 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.46 1p6s h GLN 104 CO -0.13 0.89 0.56 0.52 -2.65 0.00 0.00 178.83 178.02 1p6s h MET 105 N 0.66 1.06 -0.25 1.69 2.86 -0.66 -1.50 114.93 118.79 1p6s h MET 105 Ca 0.12 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1p6s h MET 105 Cb 0.54 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1p6s h MET 105 CO 0.03 0.70 -0.41 0.28 1.06 0.00 0.00 176.91 178.57 1p6s h VAL 106 N 1.09 1.30 -0.90 -2.22 2.07 -1.12 -3.03 116.25 113.45 1p6s h VAL 106 Ca 0.33 -1.62 0.06 0.00 0.82 0.00 0.00 66.70 66.29 1p6s h VAL 106 Cb -0.03 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1p6s h VAL 106 CO -0.09 0.51 0.59 0.00 0.02 0.00 0.00 177.57 178.60 1p6s h ALA 107 N 0.65 1.49 -0.36 1.67 0.00 -0.67 0.28 119.26 122.33 1p6s h ALA 107 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1p6s h ALA 107 Cb 1.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1p6s h ALA 107 CO 0.09 0.39 0.07 -0.91 0.00 0.00 0.00 179.25 178.89 1p6s h ASN 108 N 1.05 0.48 0.76 0.00 2.35 -1.20 -2.38 115.58 116.64 1p6s h ASN 108 Ca 0.38 -0.07 -0.25 0.00 -0.55 0.00 0.00 56.30 55.81 1p6s h ASN 108 Cb 0.15 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1p6s h ASN 108 CO -0.13 0.50 -1.29 -1.28 -1.65 0.00 0.00 177.43 173.58 1p6s h SER 109 N 0.51 0.09 -0.49 5.81 0.87 -1.04 -3.32 113.55 115.98 1p6s h SER 109 Ca 0.12 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 1p6s h SER 109 Cb 0.23 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1p6s h SER 109 CO -0.00 1.09 0.06 -0.07 -0.53 0.00 0.00 176.83 177.38 1p6s h LEU 110 N 0.02 0.84 0.00 2.23 4.07 -0.15 -3.52 115.31 118.80 1p6s h LEU 110 Ca -0.13 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1p6s h LEU 110 Cb 1.89 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.40 1p6s h LEU 110 CO 0.13 0.87 0.00 0.29 -1.08 0.00 0.00 178.44 178.64