#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a67 s VAL 2 N 0.00 4.61 0.00 2.53 1.01 -1.26 -4.12 120.40 123.17 3a67 s VAL 2 Ca 0.00 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.34 3a67 s VAL 2 Cb 0.00 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3a67 s VAL 2 CO 0.00 0.48 -0.03 -1.10 0.00 0.00 0.00 175.10 174.45 3a67 s GLN 3 N -1.30 0.24 0.04 2.72 -0.21 0.22 -5.00 119.66 116.38 3a67 s GLN 3 Ca 0.34 -0.16 0.07 0.00 0.02 0.00 0.00 55.36 55.63 3a67 s GLN 3 Cb -0.20 -0.20 -0.02 0.00 1.00 0.00 0.00 33.01 33.58 3a67 s GLN 3 CO 0.22 0.05 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.74 3a67 s LEU 4 N -0.21 2.16 -0.18 2.90 1.02 -1.26 -1.32 118.68 121.79 3a67 s LEU 4 Ca -0.00 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.56 3a67 s LEU 4 Cb -0.02 -0.90 0.07 0.00 0.02 0.00 0.00 46.19 45.35 3a67 s LEU 4 CO -0.00 0.14 0.42 -1.58 0.02 0.00 0.00 176.35 175.35 3a67 s GLN 5 N -1.13 0.38 0.36 1.70 0.74 -0.89 -4.27 119.66 116.54 3a67 s GLN 5 Ca 0.06 0.87 -0.13 0.00 0.05 0.00 0.00 55.36 56.21 3a67 s GLN 5 Cb -0.09 0.07 -0.08 0.00 1.10 0.00 0.00 33.01 34.02 3a67 s GLN 5 CO 0.02 -0.18 0.75 -1.21 -0.55 0.00 0.00 175.29 174.11 3a67 s GLU 6 N 1.74 3.90 0.07 1.67 8.01 -1.26 -1.29 118.70 131.54 3a67 s GLU 6 Ca -0.07 0.58 -0.17 0.00 0.01 0.00 0.00 54.97 55.32 3a67 s GLU 6 Cb -0.09 -2.41 0.04 0.00 -4.31 0.00 0.00 34.13 27.35 3a67 s GLU 6 CO -0.13 0.07 0.41 -1.54 0.01 0.00 0.00 175.26 174.08 3a67 s SER 7 N -2.65 -0.26 0.00 -0.19 1.04 -0.03 -4.97 113.70 106.64 3a67 s SER 7 Ca 0.53 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3a67 s SER 7 Cb -0.10 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3a67 s SER 7 CO 0.23 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3a67 n GLY 8 N 0.29 1.52 3.76 7.32 0.00 -1.26 -0.88 105.19 115.93 3a67 n GLY 8 Ca -0.18 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 3a67 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a67 s PRO 9 N -1.41 3.41 -0.00 1.61 0.04 -1.26 -4.94 135.00 132.45 3a67 s PRO 9 Ca 0.00 2.13 0.21 0.00 0.04 0.00 0.00 61.00 63.38 3a67 s PRO 9 Cb 0.00 -2.37 -0.23 0.00 0.04 0.00 0.00 34.50 31.93 3a67 s PRO 9 CO 0.00 -0.94 0.86 -1.13 0.04 0.00 0.00 177.00 175.83 3a67 n SER 10 N -0.72 0.94 -3.88 6.66 3.41 -1.26 -4.80 113.62 113.97 3a67 n SER 10 Ca 0.09 -0.94 -0.21 0.00 -0.26 0.00 0.00 58.87 57.54 3a67 n SER 10 Cb 0.45 1.05 -0.17 0.00 -0.26 0.00 0.00 64.21 65.29 3a67 n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3a67 s LEU 11 N -3.06 1.19 0.12 1.04 2.96 -1.26 -0.62 118.68 119.05 3a67 s LEU 11 Ca 0.07 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3a67 s LEU 11 Cb 0.16 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.29 3a67 s LEU 11 CO 0.86 -0.08 -0.04 0.68 -1.32 0.00 0.00 176.35 176.44 3a67 s VAL 12 N 1.18 0.66 0.10 1.68 -7.23 -0.45 -4.96 120.40 111.37 3a67 s VAL 12 Ca -0.07 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 3a67 s VAL 12 Cb -0.14 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 3a67 s VAL 12 CO -0.01 -0.76 0.31 -0.54 -0.31 0.00 0.00 175.10 173.78 3a67 s LYS 13 N -3.86 3.56 0.50 4.82 -0.14 -1.26 -1.55 119.74 121.79 3a67 s LYS 13 Ca 0.15 -0.20 -0.23 0.00 -1.36 0.00 0.00 55.97 54.33 3a67 s LYS 13 Cb 0.06 -2.94 -0.07 0.00 -1.68 0.00 0.00 37.83 33.19 3a67 s LYS 13 CO -0.02 0.54 1.20 -2.30 -0.76 0.00 0.00 175.35 174.01 3a67 n PRO 14 N 0.29 1.58 -0.10 -1.68 -0.02 -1.26 -2.31 135.00 131.50 3a67 n PRO 14 Ca -0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3a67 n PRO 14 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3a67 n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3a67 n SER 15 N -0.31 0.00 -4.54 2.55 2.88 0.12 -4.92 113.62 109.40 3a67 n SER 15 Ca 0.09 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.39 3a67 n SER 15 Cb 0.43 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.02 3a67 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a67 s GLN 16 N -0.04 1.38 -0.24 -1.46 -2.07 -0.98 -4.00 119.66 112.25 3a67 s GLN 16 Ca 0.00 -1.08 -0.11 0.00 -1.82 0.00 0.00 55.36 52.34 3a67 s GLN 16 Cb 0.00 -2.24 -0.05 0.00 -1.09 0.00 0.00 33.01 29.63 3a67 s GLN 16 CO 0.00 -1.70 0.20 0.99 -1.32 0.00 0.00 175.29 173.46 3a67 s THR 17 N -3.30 5.33 -0.14 3.63 2.01 -1.26 -1.96 115.64 119.94 3a67 s THR 17 Ca 0.69 0.25 -0.20 0.00 0.31 0.00 0.00 61.69 62.74 3a67 s THR 17 Cb -0.04 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3a67 s THR 17 CO 0.46 0.31 0.57 -0.22 -0.69 0.00 0.00 174.62 175.05 3a67 s LEU 18 N 1.26 4.23 -0.06 4.42 0.20 0.16 -4.90 118.68 123.98 3a67 s LEU 18 Ca 0.09 0.87 0.03 0.00 0.69 0.00 0.00 54.13 55.81 3a67 s LEU 18 Cb -0.14 -2.82 0.01 0.00 -0.43 0.00 0.00 46.19 42.80 3a67 s LEU 18 CO 0.06 -0.13 -0.13 -0.44 -0.29 0.00 0.00 176.35 175.43 3a67 s SER 19 N 0.90 1.80 0.14 3.68 0.01 -1.26 -0.31 113.70 118.66 3a67 s SER 19 Ca 0.29 -0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.31 3a67 s SER 19 Cb -0.16 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.29 3a67 s SER 19 CO 0.12 0.06 -0.14 -0.76 0.41 0.00 0.00 173.24 172.93 3a67 s LEU 20 N 0.49 2.44 0.02 2.44 1.43 -0.06 -4.41 118.68 121.04 3a67 s LEU 20 Ca -0.11 -0.87 0.08 0.00 -1.03 0.00 0.00 54.13 52.19 3a67 s LEU 20 Cb -0.14 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 3a67 s LEU 20 CO 0.03 -0.16 -0.23 -0.89 0.23 0.00 0.00 176.35 175.34 3a67 s THR 21 N -2.38 1.82 -0.20 5.49 2.01 -0.06 -1.58 115.64 120.74 3a67 s THR 21 Ca 0.13 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 61.01 3a67 s THR 21 Cb -0.04 -1.55 0.04 0.00 0.01 0.00 0.00 72.50 70.97 3a67 s THR 21 CO 0.04 0.38 -0.13 0.00 -0.69 0.00 0.00 174.62 174.22 3a67 s SER 23 N 1.33 6.47 -0.18 0.00 0.01 -0.41 -1.87 113.70 119.06 3a67 s SER 23 Ca -0.01 0.56 -0.04 0.00 1.31 0.00 0.00 55.95 57.76 3a67 s SER 23 Cb -0.16 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3a67 s SER 23 CO -0.09 0.02 -0.02 -0.69 0.41 0.00 0.00 173.24 172.87 3a67 s VAL 24 N 0.79 3.92 0.00 3.43 1.01 -0.80 -2.10 120.40 126.65 3a67 s VAL 24 Ca 0.19 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3a67 s VAL 24 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3a67 s VAL 24 CO 0.06 0.46 -0.16 0.42 0.00 0.00 0.00 175.10 175.89 3a67 s THR 25 N 0.65 1.25 0.00 3.92 -4.23 -0.44 -4.78 115.64 112.01 3a67 s THR 25 Ca -0.01 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3a67 s THR 25 Cb -0.14 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.63 3a67 s THR 25 CO 0.02 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 3a67 n GLY 26 N 2.46 2.14 3.72 3.99 0.00 -1.26 -0.61 105.19 115.64 3a67 n GLY 26 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 3a67 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a67 s ASP 27 N -1.28 -0.23 0.25 1.61 2.15 -1.26 -4.62 116.67 113.29 3a67 s ASP 27 Ca 0.00 -0.37 -0.26 0.00 0.43 0.00 0.00 52.55 52.35 3a67 s ASP 27 Cb 0.00 0.52 -0.09 0.00 -0.30 0.00 0.00 42.92 43.05 3a67 s ASP 27 CO 0.00 -0.94 0.88 -0.55 -0.17 0.00 0.00 175.17 174.39 3a67 s SER 28 N -2.87 7.41 0.42 -0.34 0.15 -1.26 -4.94 113.70 112.27 3a67 s SER 28 Ca 0.11 1.78 0.29 0.00 0.70 0.00 0.00 55.95 58.83 3a67 s SER 28 Cb -0.02 -2.55 1.39 0.00 -1.71 0.00 0.00 66.02 63.13 3a67 s SER 28 CO 0.01 0.07 1.89 0.16 1.20 0.00 0.00 173.24 176.56 3a67 h ILE 29 N 2.93 0.00 0.00 6.45 3.07 -1.92 -1.18 117.51 126.86 3a67 h ILE 29 Ca -0.46 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.75 3a67 h ILE 29 Cb 1.20 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3a67 h ILE 29 CO 0.66 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.11 3a67 n THR 30 N -2.60 0.02 -0.85 0.16 -2.24 -1.26 -3.27 114.28 104.24 3a67 n THR 30 Ca -0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3a67 n THR 30 Cb 0.17 -0.58 0.29 0.00 -2.10 0.00 0.00 70.33 68.11 3a67 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a67 n SER 31 N -1.03 4.29 -3.19 3.42 7.64 -0.45 -4.97 113.62 119.33 3a67 n SER 31 Ca 0.19 -2.83 -0.06 0.00 1.01 0.00 0.00 58.87 57.18 3a67 n SER 31 Cb 0.10 -0.55 0.02 0.00 -1.01 0.00 0.00 64.21 62.78 3a67 n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a67 s ASP 32 N -1.47 -0.01 -0.06 6.43 -1.08 -1.20 -5.04 116.67 114.23 3a67 s ASP 32 Ca 0.44 -0.88 -0.02 0.00 -0.52 0.00 0.00 52.55 51.57 3a67 s ASP 32 Cb 0.33 0.67 -0.04 0.00 -1.46 0.00 0.00 42.92 42.43 3a67 s ASP 32 CO 0.13 -1.33 0.05 -0.31 0.52 0.00 0.00 175.17 174.23 3a67 s TYR 33 N -2.33 3.26 -0.05 -5.34 1.51 -1.26 -4.32 117.35 108.82 3a67 s TYR 33 Ca 0.18 0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.54 3a67 s TYR 33 Cb -0.04 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3a67 s TYR 33 CO 0.08 0.54 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.25 3a67 s TRP 34 N -1.02 2.24 0.34 2.71 0.52 -0.39 -1.31 118.94 122.03 3a67 s TRP 34 Ca 0.17 -0.64 0.07 0.00 0.02 0.00 0.00 56.10 55.71 3a67 s TRP 34 Cb -0.12 -1.47 -0.07 0.00 -1.15 0.00 0.00 33.47 30.66 3a67 s TRP 34 CO 0.07 -0.19 -0.02 -1.12 0.02 0.00 0.00 176.95 175.71 3a67 s SER 35 N -0.15 3.18 -0.05 2.95 0.01 0.21 -0.84 113.70 119.02 3a67 s SER 35 Ca -0.03 -1.29 0.02 0.00 1.31 0.00 0.00 55.95 55.96 3a67 s SER 35 Cb -0.13 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.87 3a67 s SER 35 CO 0.03 -0.41 -0.08 0.26 0.41 0.00 0.00 173.24 173.45 3a67 s TRP 36 N -2.92 1.02 0.04 2.43 0.52 -0.55 -2.22 118.94 117.27 3a67 s TRP 36 Ca 0.33 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.16 3a67 s TRP 36 Cb 0.07 -0.81 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 3a67 s TRP 36 CO 0.15 -0.21 -0.11 0.42 0.02 0.00 0.00 176.95 177.22 3a67 s ILE 37 N 0.77 0.88 0.05 2.03 1.09 -0.17 -1.11 121.20 124.74 3a67 s ILE 37 Ca -0.13 -1.03 0.03 0.00 -1.10 0.00 0.00 60.65 58.42 3a67 s ILE 37 Cb -0.15 -0.85 -0.03 0.00 -1.06 0.00 0.00 42.46 40.38 3a67 s ILE 37 CO 0.02 -0.16 -0.09 0.00 -0.10 0.00 0.00 174.94 174.61 3a67 s ARG 38 N -1.32 0.61 -0.19 2.79 1.70 -0.50 -0.19 118.95 121.84 3a67 s ARG 38 Ca -0.03 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.39 3a67 s ARG 38 Cb -0.08 -0.39 0.01 0.00 -0.57 0.00 0.00 34.95 33.91 3a67 s ARG 38 CO 0.01 0.07 -0.14 0.21 -1.08 0.00 0.00 175.30 174.37 3a67 s LYS 39 N -1.75 3.15 0.59 3.89 2.20 0.16 -0.87 119.74 127.11 3a67 s LYS 39 Ca -0.07 -0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 54.69 3a67 s LYS 39 Cb -0.09 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.48 3a67 s LYS 39 CO 0.00 -0.16 0.98 -0.06 -0.36 0.00 0.00 175.35 175.76 3a67 s PHE 40 N 1.24 3.61 0.61 4.03 0.08 0.32 -1.11 117.98 126.77 3a67 s PHE 40 Ca 0.03 1.20 0.26 0.00 0.12 0.00 0.00 56.93 58.53 3a67 s PHE 40 Cb -0.14 -2.64 1.02 0.00 -0.57 0.00 0.00 43.02 40.69 3a67 s PHE 40 CO -0.07 -0.60 1.43 -1.35 -0.10 0.00 0.00 175.22 174.53 3a67 h PRO 41 N -0.20 0.00 -0.86 0.24 0.11 -1.89 -2.42 132.00 126.99 3a67 h PRO 41 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 3a67 h PRO 41 Cb 1.19 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 3a67 h PRO 41 CO 0.62 0.00 0.32 0.41 -0.21 0.00 0.00 178.00 179.14 3a67 n GLY 42 N -1.65 5.70 2.45 -0.55 0.00 -1.26 -4.90 105.19 104.98 3a67 n GLY 42 Ca 0.18 -2.10 -0.19 0.00 0.00 0.00 0.00 46.02 43.91 3a67 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a67 n ASN 43 N -0.93 -5.55 -4.49 1.61 3.02 -0.91 -4.98 115.26 103.03 3a67 n ASN 43 Ca 0.54 -0.06 -0.37 0.00 -0.03 0.00 0.00 54.58 54.67 3a67 n ASN 43 Cb 0.92 -4.56 -0.12 0.00 -0.61 0.00 0.00 39.78 35.41 3a67 n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3a67 s ARG 44 N -5.05 3.71 -0.05 3.52 3.52 -1.23 -4.96 118.95 118.41 3a67 s ARG 44 Ca 0.04 -0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 55.10 3a67 s ARG 44 Cb -0.02 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 3a67 s ARG 44 CO 0.05 -0.21 0.24 -0.51 -0.81 0.00 0.00 175.30 174.06 3a67 s LEU 45 N 1.66 4.40 -0.05 -0.88 1.43 -1.26 -0.52 118.68 123.45 3a67 s LEU 45 Ca 0.06 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 3a67 s LEU 45 Cb -0.16 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.71 3a67 s LEU 45 CO 0.06 0.34 -0.05 -0.70 0.23 0.00 0.00 176.35 176.24 3a67 s GLU 46 N -1.28 0.90 -0.39 1.70 2.12 -0.05 -5.00 118.70 116.69 3a67 s GLU 46 Ca 0.21 -0.11 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 3a67 s GLU 46 Cb -0.13 -0.94 0.02 0.00 0.26 0.00 0.00 34.13 33.33 3a67 s GLU 46 CO 0.10 -0.11 0.89 -0.47 -0.54 0.00 0.00 175.26 175.13 3a67 s TYR 47 N 1.09 3.05 -0.02 5.30 6.14 -1.26 -1.41 117.35 130.23 3a67 s TYR 47 Ca -0.08 0.62 -0.21 0.00 0.64 0.00 0.00 57.07 58.04 3a67 s TYR 47 Cb -0.14 -3.67 -0.24 0.00 0.42 0.00 0.00 41.96 38.33 3a67 s TYR 47 CO -0.01 -0.87 1.06 0.52 0.64 0.00 0.00 175.55 176.88 3a67 h MET 48 N 8.63 0.33 0.00 4.97 2.86 -1.47 -3.41 114.93 126.83 3a67 h MET 48 Ca -0.24 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 3a67 h MET 48 Cb 1.08 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3a67 h MET 48 CO 0.98 1.06 0.00 0.41 1.06 0.00 0.00 176.91 180.42 3a67 n GLY 49 N 1.11 -0.83 3.31 8.32 0.00 -1.15 -0.74 105.19 115.21 3a67 n GLY 49 Ca -0.10 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 3a67 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a67 s TYR 50 N -2.00 -0.18 -0.11 1.61 1.13 -0.58 -1.48 117.35 115.74 3a67 s TYR 50 Ca 0.00 -0.15 0.04 0.00 -1.41 0.00 0.00 57.07 55.55 3a67 s TYR 50 Cb 0.00 0.24 0.00 0.00 -1.10 0.00 0.00 41.96 41.10 3a67 s TYR 50 CO 0.00 -0.69 -0.23 0.54 -2.51 0.00 0.00 175.55 172.66 3a67 s VAL 51 N -3.80 2.04 0.53 -3.49 0.11 -0.02 -1.50 120.40 114.27 3a67 s VAL 51 Ca 0.03 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.15 3a67 s VAL 51 Cb 0.02 -1.78 0.06 0.00 -1.53 0.00 0.00 36.38 33.15 3a67 s VAL 51 CO -0.12 0.55 0.73 -0.94 -3.33 0.00 0.00 175.10 172.00 3a67 s SER 52 N 0.48 5.24 0.51 3.54 1.04 -0.49 -1.27 113.70 122.76 3a67 s SER 52 Ca -0.15 -0.56 0.28 0.00 0.48 0.00 0.00 55.95 55.99 3a67 s SER 52 Cb -0.17 -0.19 1.39 0.00 0.10 0.00 0.00 66.02 67.15 3a67 s SER 52 CO 0.06 -1.17 1.90 0.10 0.98 0.00 0.00 173.24 175.10 3a67 h TYR 53 N 0.26 0.11 0.00 5.02 -0.00 -1.89 -0.16 116.97 120.30 3a67 h TYR 53 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 3a67 h TYR 53 Cb 1.28 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3a67 h TYR 53 CO 0.35 0.03 0.00 -1.13 -0.00 0.00 0.00 178.16 177.40 3a67 n SER 54 N -4.33 0.46 0.00 0.10 3.41 -1.26 -4.88 113.62 107.11 3a67 n SER 54 Ca 0.17 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3a67 n SER 54 Cb 0.86 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3a67 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a67 n GLY 55 N 1.36 0.35 3.77 5.00 0.00 -0.07 -5.07 105.19 110.53 3a67 n GLY 55 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3a67 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a67 s SER 56 N -2.02 6.13 0.23 1.61 1.04 -1.26 -4.76 113.70 114.68 3a67 s SER 56 Ca 0.00 2.62 0.11 0.00 0.48 0.00 0.00 55.95 59.17 3a67 s SER 56 Cb 0.00 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 3a67 s SER 56 CO 0.00 -0.97 -0.22 0.42 0.98 0.00 0.00 173.24 173.45 3a67 s THR 57 N -1.31 2.37 -0.08 2.02 -4.23 -1.26 -1.40 115.64 111.75 3a67 s THR 57 Ca 0.60 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3a67 s THR 57 Cb -0.37 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.32 3a67 s THR 57 CO 0.47 -0.24 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.97 3a67 s TYR 58 N -2.03 0.96 0.00 3.99 2.02 -0.57 -5.00 117.35 116.71 3a67 s TYR 58 Ca 0.24 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.65 3a67 s TYR 58 Cb -0.07 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 3a67 s TYR 58 CO 0.12 -0.38 -0.22 0.71 -1.57 0.00 0.00 175.55 174.20 3a67 s TYR 59 N 1.81 2.44 0.03 2.71 2.02 -1.26 -1.53 117.35 123.57 3a67 s TYR 59 Ca 0.04 -0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.09 3a67 s TYR 59 Cb -0.12 -1.49 -0.07 0.00 -0.40 0.00 0.00 41.96 39.88 3a67 s TYR 59 CO -0.06 0.10 1.50 1.21 -1.57 0.00 0.00 175.55 176.73 3a67 s ASN 60 N -0.94 6.75 0.64 2.29 3.84 0.08 -4.86 114.94 122.74 3a67 s ASN 60 Ca 0.12 2.26 0.33 0.00 0.21 0.00 0.00 52.86 55.77 3a67 s ASN 60 Cb -0.10 -2.56 1.79 0.00 -0.55 0.00 0.00 41.25 39.83 3a67 s ASN 60 CO 0.01 -0.79 2.05 -0.65 -2.79 0.00 0.00 177.10 174.94 3a67 h PRO 61 N 8.02 0.00 0.00 0.43 0.11 -1.94 -0.55 132.00 138.06 3a67 h PRO 61 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3a67 h PRO 61 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3a67 h PRO 61 CO 0.91 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.36 3a67 h SER 62 N 0.00 0.00 0.21 -2.05 4.64 -1.97 -1.02 113.55 113.37 3a67 h SER 62 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3a67 h SER 62 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3a67 h SER 62 CO -0.00 0.01 -0.05 0.18 -0.87 0.00 0.00 176.83 176.10 3a67 n LEU 63 N -3.69 0.44 -4.06 5.97 4.77 -0.21 -4.94 117.00 115.28 3a67 n LEU 63 Ca -0.03 -0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.58 3a67 n LEU 63 Cb 0.09 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3a67 n LEU 63 CO 0.26 0.08 0.01 0.29 -1.33 0.00 0.00 177.39 176.70 3a67 n LYS 64 N -0.83 -4.19 -3.26 3.23 4.76 -0.39 -2.11 118.16 115.38 3a67 n LYS 64 Ca 0.18 0.47 -0.23 0.00 -2.87 0.00 0.00 58.31 55.86 3a67 n LYS 64 Cb 0.23 -5.21 0.04 0.00 -1.84 0.00 0.00 35.03 28.25 3a67 n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3a67 n SER 65 N -2.77 -5.92 -0.75 4.39 7.64 -1.26 -4.87 113.62 110.08 3a67 n SER 65 Ca 0.02 -0.39 0.10 0.00 1.01 0.00 0.00 58.87 59.61 3a67 n SER 65 Cb 0.53 -4.75 0.07 0.00 -1.01 0.00 0.00 64.21 59.05 3a67 n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a67 n ARG 66 N -4.30 1.78 -4.13 1.43 1.74 -0.90 -4.98 116.66 107.29 3a67 n ARG 66 Ca -0.06 -1.59 -0.33 0.00 -0.77 0.00 0.00 57.85 55.10 3a67 n ARG 66 Cb 0.59 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 3a67 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3a67 s ILE 67 N -1.78 4.62 -0.02 0.55 2.07 -1.26 -0.25 121.20 125.13 3a67 s ILE 67 Ca 0.23 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3a67 s ILE 67 Cb 0.17 -3.11 0.03 0.00 0.13 0.00 0.00 42.46 39.68 3a67 s ILE 67 CO 0.29 0.35 0.04 -0.55 -1.91 0.00 0.00 174.94 173.16 3a67 s SER 68 N -1.73 0.03 -0.15 4.50 0.15 -0.43 -5.00 113.70 111.07 3a67 s SER 68 Ca 0.22 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.96 3a67 s SER 68 Cb -0.12 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3a67 s SER 68 CO 0.13 -0.11 -0.18 -0.63 1.20 0.00 0.00 173.24 173.66 3a67 s ILE 69 N 0.90 1.83 0.28 6.45 1.01 -1.26 -1.00 121.20 129.40 3a67 s ILE 69 Ca -0.07 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3a67 s ILE 69 Cb -0.10 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 3a67 s ILE 69 CO -0.03 0.50 0.03 0.42 0.00 0.00 0.00 174.94 175.87 3a67 s THR 70 N 1.24 1.09 0.12 2.92 -4.23 -1.09 -4.95 115.64 110.75 3a67 s THR 70 Ca 0.02 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 3a67 s THR 70 Cb -0.14 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 3a67 s THR 70 CO -0.09 -0.13 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.61 3a67 s ARG 71 N -3.89 0.96 -0.29 3.99 0.52 -1.26 -0.09 118.95 118.89 3a67 s ARG 71 Ca 0.34 -1.24 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 3a67 s ARG 71 Cb 0.07 -0.72 0.10 0.00 0.52 0.00 0.00 34.95 34.92 3a67 s ARG 71 CO 0.13 0.12 0.12 0.34 0.02 0.00 0.00 175.30 176.03 3a67 s ASP 72 N -2.56 3.69 0.19 0.23 -1.08 -0.21 -4.99 116.67 111.93 3a67 s ASP 72 Ca 0.09 -1.40 -0.12 0.00 -0.52 0.00 0.00 52.55 50.60 3a67 s ASP 72 Cb -0.03 -0.55 0.12 0.00 -1.46 0.00 0.00 42.92 41.00 3a67 s ASP 72 CO 0.02 -0.43 1.85 0.74 0.52 0.00 0.00 175.17 177.87 3a67 h THR 73 N 6.44 1.15 -0.21 1.71 2.02 -1.97 -0.13 112.91 121.93 3a67 h THR 73 Ca -0.17 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.74 3a67 h THR 73 Cb 1.02 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3a67 h THR 73 CO 0.45 0.15 0.14 0.77 0.37 0.00 0.00 175.52 177.40 3a67 h SER 74 N 0.84 0.18 -0.01 4.18 4.64 -1.95 -1.63 113.55 119.79 3a67 h SER 74 Ca 0.24 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3a67 h SER 74 Cb -0.08 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3a67 h SER 74 CO -0.06 0.12 -0.56 0.29 -0.87 0.00 0.00 176.83 175.75 3a67 n LYS 75 N -4.50 1.03 -3.76 4.77 5.02 -1.06 -4.98 118.16 114.67 3a67 n LYS 75 Ca 0.01 -0.84 -0.23 0.00 -2.02 0.00 0.00 58.31 55.23 3a67 n LYS 75 Cb 0.13 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 3a67 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a67 n ASN 76 N -0.26 -1.30 -4.11 4.39 4.05 -0.10 -4.82 115.26 113.11 3a67 n ASN 76 Ca 0.08 -0.88 -0.09 0.00 0.45 0.00 0.00 54.58 54.15 3a67 n ASN 76 Cb 0.45 -3.76 -0.10 0.00 1.23 0.00 0.00 39.78 37.60 3a67 n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3a67 s GLN 77 N -6.10 0.66 0.13 1.20 -0.21 -0.97 -1.91 119.66 112.46 3a67 s GLN 77 Ca 0.04 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.25 3a67 s GLN 77 Cb -0.01 0.05 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 3a67 s GLN 77 CO 0.83 -0.07 -0.06 1.52 -2.12 0.00 0.00 175.29 175.40 3a67 s TYR 78 N -3.55 1.08 0.23 0.91 1.13 -0.78 -1.05 117.35 115.31 3a67 s TYR 78 Ca 0.06 -0.90 0.03 0.00 -1.41 0.00 0.00 57.07 54.85 3a67 s TYR 78 Cb 0.05 -0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 40.26 3a67 s TYR 78 CO -0.07 -0.11 0.00 0.71 -2.51 0.00 0.00 175.55 173.57 3a67 s TYR 79 N -3.56 1.51 -0.09 -3.49 2.02 0.87 -1.19 117.35 113.43 3a67 s TYR 79 Ca 0.17 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 3a67 s TYR 79 Cb 0.05 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 3a67 s TYR 79 CO -0.01 -0.08 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.64 3a67 s LEU 80 N -3.29 1.27 -0.08 -1.29 2.96 -0.62 -2.66 118.68 114.98 3a67 s LEU 80 Ca 0.28 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 3a67 s LEU 80 Cb 0.06 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.99 3a67 s LEU 80 CO 0.08 -0.08 -0.23 -1.81 -1.32 0.00 0.00 176.35 173.00 3a67 s ASP 81 N 1.36 2.89 -0.18 3.68 1.01 -0.17 -0.88 116.67 124.38 3a67 s ASP 81 Ca -0.02 -0.50 -0.01 0.00 0.71 0.00 0.00 52.55 52.73 3a67 s ASP 81 Cb -0.14 -1.11 0.05 0.00 1.01 0.00 0.00 42.92 42.73 3a67 s ASP 81 CO -0.04 0.18 -0.03 -0.22 0.21 0.00 0.00 175.17 175.26 3a67 s LEU 82 N 0.18 1.67 0.53 1.23 2.96 0.57 -1.31 118.68 124.52 3a67 s LEU 82 Ca -0.12 -0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 52.92 3a67 s LEU 82 Cb -0.16 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 3a67 s LEU 82 CO 0.06 -0.22 0.91 0.20 -1.32 0.00 0.00 176.35 175.98 3a67 s ASN 83 N 1.64 6.36 -1.27 3.68 0.01 0.66 -0.67 114.94 125.35 3a67 s ASN 83 Ca -0.01 1.26 -0.28 0.00 -0.71 0.00 0.00 52.86 53.12 3a67 s ASN 83 Cb -0.16 -2.39 0.04 0.00 0.41 0.00 0.00 41.25 39.15 3a67 s ASN 83 CO -0.07 -0.66 0.57 -1.20 -1.51 0.00 0.00 177.10 174.23 3a67 n SER 84 N -2.16 -3.30 -4.76 -1.22 7.64 -1.01 -4.90 113.62 103.91 3a67 n SER 84 Ca 0.04 -1.28 -0.33 0.00 1.01 0.00 0.00 58.87 58.31 3a67 n SER 84 Cb 0.54 -1.75 0.07 0.00 -1.01 0.00 0.00 64.21 62.06 3a67 n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3a67 s VAL 85 N -3.67 3.03 0.38 0.44 -7.23 -0.83 -4.58 120.40 107.94 3a67 s VAL 85 Ca 0.41 0.45 0.04 0.00 -1.81 0.00 0.00 61.98 61.07 3a67 s VAL 85 Cb -0.22 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 3a67 s VAL 85 CO 0.97 -0.32 0.17 0.42 -0.31 0.00 0.00 175.10 176.02 3a67 s THR 86 N -2.38 0.43 0.55 5.32 -4.23 -1.26 0.12 115.64 114.19 3a67 s THR 86 Ca 0.67 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 59.60 3a67 s THR 86 Cb -0.22 -2.40 0.42 0.00 1.34 0.00 0.00 72.50 71.64 3a67 s THR 86 CO 0.45 0.00 2.29 0.71 -0.54 0.00 0.00 174.62 177.53 3a67 h THR 87 N 1.92 0.00 0.00 3.99 1.35 -1.98 0.83 112.91 119.03 3a67 h THR 87 Ca -0.33 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3a67 h THR 87 Cb 1.26 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3a67 h THR 87 CO 0.52 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.17 3a67 n GLU 88 N -2.99 0.02 -0.06 4.72 -0.58 -1.26 -2.40 120.64 118.10 3a67 n GLU 88 Ca -0.03 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 3a67 n GLU 88 Cb 0.07 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 29.73 3a67 n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3a67 n ASP 89 N -1.49 2.46 -4.71 1.62 8.00 0.29 -4.89 116.55 117.84 3a67 n ASP 89 Ca 0.05 -1.81 -0.42 0.00 0.71 0.00 0.00 54.79 53.31 3a67 n ASP 89 Cb 0.21 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3a67 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3a67 s THR 90 N -1.85 3.27 -0.06 -3.53 2.01 -1.01 -4.84 115.64 109.62 3a67 s THR 90 Ca 0.34 0.84 -0.31 0.00 0.31 0.00 0.00 61.69 62.86 3a67 s THR 90 Cb 0.20 -3.54 0.12 0.00 0.01 0.00 0.00 72.50 69.30 3a67 s THR 90 CO 0.31 0.04 1.37 0.00 -0.69 0.00 0.00 174.62 175.64 3a67 s ALA 91 N 1.65 -2.50 -0.26 7.40 0.00 -0.89 -4.54 121.76 122.61 3a67 s ALA 91 Ca 0.67 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 3a67 s ALA 91 Cb -0.37 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3a67 s ALA 91 CO 0.30 -1.10 0.30 0.99 0.00 0.00 0.00 175.76 176.25 3a67 s THR 92 N -2.11 5.23 -0.14 0.00 2.01 -0.26 -1.30 115.64 119.07 3a67 s THR 92 Ca 0.21 0.43 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 3a67 s THR 92 Cb 0.04 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3a67 s THR 92 CO -0.04 0.21 0.20 -0.31 -0.69 0.00 0.00 174.62 173.98 3a67 s TYR 93 N 1.82 3.52 0.03 4.92 1.51 0.54 -0.66 117.35 129.03 3a67 s TYR 93 Ca 0.12 0.52 0.06 0.00 -1.01 0.00 0.00 57.07 56.76 3a67 s TYR 93 Cb -0.16 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.53 3a67 s TYR 93 CO 0.10 0.46 -0.17 0.71 -1.11 0.00 0.00 175.55 175.54 3a67 s TYR 94 N -0.23 1.45 0.08 2.71 1.51 0.73 -0.73 117.35 122.88 3a67 s TYR 94 Ca 0.14 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 3a67 s TYR 94 Cb -0.12 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 3a67 s TYR 94 CO 0.03 0.05 -0.06 0.00 -1.11 0.00 0.00 175.55 174.46 3a67 s ALA 96 N -1.21 -1.69 0.65 0.00 0.00 -0.94 -0.52 121.76 118.04 3a67 s ALA 96 Ca 0.22 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 3a67 s ALA 96 Cb -0.11 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 3a67 s ALA 96 CO 0.14 -0.70 1.04 0.54 0.00 0.00 0.00 175.76 176.79 3a67 s ASN 97 N -2.48 5.90 0.36 0.00 6.03 -0.62 -0.62 114.94 123.51 3a67 s ASN 97 Ca 0.01 1.45 0.08 0.00 -1.03 0.00 0.00 52.86 53.37 3a67 s ASN 97 Cb -0.01 -2.43 0.80 0.00 -3.03 0.00 0.00 41.25 36.59 3a67 s ASN 97 CO -0.09 -1.09 1.89 -0.25 -2.03 0.00 0.00 177.10 175.53 3a67 h TRP 98 N -0.47 0.80 0.00 1.54 7.01 -1.53 -0.97 115.95 122.33 3a67 h TRP 98 Ca -0.44 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 3a67 h TRP 98 Cb 1.20 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 3a67 h TRP 98 CO 0.63 0.33 -0.12 -0.44 -2.79 0.00 0.00 178.44 176.05 3a67 h ASP 99 N 0.71 0.00 0.00 2.65 3.32 -1.92 -3.46 116.42 117.71 3a67 h ASP 99 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3a67 h ASP 99 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3a67 h ASP 99 CO -0.18 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.07 3a67 n GLY 100 N -0.41 0.71 0.07 2.75 0.00 -0.37 -4.93 105.19 103.01 3a67 n GLY 100 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3a67 n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a67 h ASP 101 N 0.00 0.10 -3.23 1.61 3.32 -1.90 -3.45 116.42 112.87 3a67 h ASP 101 Ca 0.00 -0.10 -0.68 0.00 0.02 0.00 0.00 57.03 56.27 3a67 h ASP 101 Cb 0.00 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 39.18 3a67 h ASP 101 CO 0.00 1.08 -0.87 -0.31 -1.72 0.00 0.00 179.24 177.42 3a67 s TYR 102 N -2.70 2.65 0.12 4.55 2.02 -1.26 -5.04 117.35 117.69 3a67 s TYR 102 Ca -0.00 -1.27 0.06 0.00 -0.37 0.00 0.00 57.07 55.49 3a67 s TYR 102 Cb 0.09 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 3a67 s TYR 102 CO 0.83 -0.57 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.52 3a67 s TRP 103 N 0.72 1.45 0.84 2.71 0.52 -1.26 -1.59 118.94 122.33 3a67 s TRP 103 Ca -0.09 -0.52 -0.11 0.00 0.02 0.00 0.00 56.10 55.40 3a67 s TRP 103 Cb -0.16 -0.77 0.14 0.00 -1.15 0.00 0.00 33.47 31.53 3a67 s TRP 103 CO 0.00 0.15 1.18 0.20 0.02 0.00 0.00 176.95 178.51 3a67 s GLY 104 N -2.29 1.73 0.48 0.98 0.00 0.32 -4.51 107.32 104.03 3a67 s GLY 104 Ca 0.07 -1.17 0.29 0.00 0.00 0.00 0.00 44.72 43.92 3a67 s GLY 104 CO 0.03 -0.55 1.83 0.06 0.00 0.00 0.00 173.10 174.48 3a67 h GLN 105 N -1.14 0.00 0.00 2.90 3.07 -1.90 -3.45 115.11 114.59 3a67 h GLN 105 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 3a67 h GLN 105 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 3a67 h GLN 105 CO 0.47 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.80 3a67 n GLY 106 N 0.44 0.03 2.79 0.06 0.00 -1.26 -5.05 105.19 102.20 3a67 n GLY 106 Ca 0.02 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 3a67 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a67 s THR 107 N -2.14 -0.07 0.03 2.61 -1.32 0.10 -4.93 115.64 109.91 3a67 s THR 107 Ca 0.00 0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.41 3a67 s THR 107 Cb 0.00 -0.12 -0.04 0.00 -1.51 0.00 0.00 72.50 70.83 3a67 s THR 107 CO 0.00 0.10 1.00 -0.22 -2.21 0.00 0.00 174.62 173.28 3a67 s LEU 108 N 1.22 4.39 -0.14 9.08 2.96 -1.26 -0.34 118.68 134.60 3a67 s LEU 108 Ca -0.08 1.72 0.01 0.00 -0.22 0.00 0.00 54.13 55.56 3a67 s LEU 108 Cb -0.13 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.01 3a67 s LEU 108 CO -0.04 -0.25 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.92 3a67 s VAL 109 N 0.82 1.50 -0.15 1.68 1.01 -0.42 -4.55 120.40 120.30 3a67 s VAL 109 Ca 0.52 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 3a67 s VAL 109 Cb -0.22 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3a67 s VAL 109 CO 0.29 0.45 -0.02 -0.89 0.00 0.00 0.00 175.10 174.93 3a67 s THR 110 N 1.39 4.10 -0.33 3.92 2.01 0.21 -2.09 115.64 124.85 3a67 s THR 110 Ca 0.02 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 3a67 s THR 110 Cb -0.13 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3a67 s THR 110 CO -0.08 0.51 0.18 -0.69 -0.69 0.00 0.00 174.62 173.84 3a67 s VAL 111 N 0.16 4.67 -0.04 3.82 1.01 -1.26 -1.34 120.40 127.42 3a67 s VAL 111 Ca -0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 3a67 s VAL 111 Cb -0.13 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.84 3a67 s VAL 111 CO 0.02 -0.02 0.41 -0.94 0.00 0.00 0.00 175.10 174.57 3a67 s SER 112 N 1.61 -0.33 0.59 3.32 1.04 -0.60 -4.48 113.70 114.85 3a67 s SER 112 Ca 0.04 0.32 0.38 0.00 0.48 0.00 0.00 55.95 57.17 3a67 s SER 112 Cb -0.18 0.43 1.83 0.00 0.10 0.00 0.00 66.02 68.21 3a67 s SER 112 CO 0.07 -0.45 2.14 0.00 0.98 0.00 0.00 173.24 175.98 3a67 h ALA 113 N 3.85 1.00 0.00 5.32 0.00 -1.96 -3.39 119.26 124.08 3a67 h ALA 113 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3a67 h ALA 113 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3a67 h ALA 113 CO 0.38 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.63