#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6c s VAL 2 N 0.00 4.90 -0.01 2.53 1.01 -1.26 -3.99 120.40 123.57 3a6c s VAL 2 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.03 3a6c s VAL 2 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3a6c s VAL 2 CO 0.00 0.55 -0.05 -1.10 0.00 0.00 0.00 175.10 174.50 3a6c s GLN 3 N -0.97 0.55 0.03 2.72 -0.21 0.73 -4.99 119.66 117.51 3a6c s GLN 3 Ca 0.26 -0.18 0.08 0.00 0.02 0.00 0.00 55.36 55.55 3a6c s GLN 3 Cb -0.18 -0.55 -0.02 0.00 1.00 0.00 0.00 33.01 33.26 3a6c s GLN 3 CO 0.16 0.07 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.66 3a6c s LEU 4 N 0.14 2.14 -0.18 2.90 1.02 -1.26 -0.89 118.68 122.56 3a6c s LEU 4 Ca -0.01 -0.51 -0.08 0.00 0.02 0.00 0.00 54.13 53.55 3a6c s LEU 4 Cb -0.06 -1.10 0.07 0.00 0.02 0.00 0.00 46.19 45.13 3a6c s LEU 4 CO -0.00 0.21 0.40 -1.58 0.02 0.00 0.00 176.35 175.40 3a6c s GLN 5 N -1.03 0.34 0.36 1.70 0.74 -0.95 -4.28 119.66 116.54 3a6c s GLN 5 Ca 0.09 0.88 -0.19 0.00 0.05 0.00 0.00 55.36 56.19 3a6c s GLN 5 Cb -0.09 0.12 -0.10 0.00 1.10 0.00 0.00 33.01 34.04 3a6c s GLN 5 CO 0.01 -0.21 0.86 -1.21 -0.55 0.00 0.00 175.29 174.19 3a6c s GLU 6 N 1.99 4.19 0.02 1.67 8.01 -1.26 -1.34 118.70 131.98 3a6c s GLU 6 Ca -0.05 0.97 -0.14 0.00 0.01 0.00 0.00 54.97 55.75 3a6c s GLU 6 Cb -0.10 -2.40 0.02 0.00 -4.31 0.00 0.00 34.13 27.34 3a6c s GLU 6 CO -0.12 0.11 0.30 -1.54 0.01 0.00 0.00 175.26 174.01 3a6c s SER 7 N -2.10 -0.14 0.00 -0.19 1.04 0.04 -4.96 113.70 107.38 3a6c s SER 7 Ca 0.56 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.92 3a6c s SER 7 Cb -0.11 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3a6c s SER 7 CO 0.16 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3a6c n GLY 8 N 0.90 2.45 3.71 7.32 0.00 -1.26 -0.89 105.19 117.41 3a6c n GLY 8 Ca -0.20 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3a6c n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3a6c n PRO 9 N -1.92 1.55 -0.00 1.61 -0.04 -1.26 -4.94 135.00 129.99 3a6c n PRO 9 Ca 0.00 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 64.11 3a6c n PRO 9 Cb 0.00 -2.46 -0.12 0.00 -0.04 0.00 0.00 33.50 30.89 3a6c n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3a6c n SER 10 N -0.79 0.90 -4.03 3.54 3.41 -1.26 -4.81 113.62 110.58 3a6c n SER 10 Ca 0.11 -0.45 -0.29 0.00 -0.26 0.00 0.00 58.87 57.98 3a6c n SER 10 Cb 0.44 1.40 -0.17 0.00 -0.26 0.00 0.00 64.21 65.62 3a6c n SER 10 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3a6c s LEU 11 N -3.50 1.65 0.10 1.04 1.02 -1.26 -0.14 118.68 117.59 3a6c s LEU 11 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.76 3a6c s LEU 11 Cb 0.12 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 45.21 3a6c s LEU 11 CO 0.71 -0.02 -0.09 0.68 0.02 0.00 0.00 176.35 177.65 3a6c s VAL 12 N 1.20 0.91 0.17 -1.59 -7.23 -0.67 -4.98 120.40 108.21 3a6c s VAL 12 Ca -0.02 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 3a6c s VAL 12 Cb -0.14 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 3a6c s VAL 12 CO -0.05 -0.62 0.45 -0.54 -0.31 0.00 0.00 175.10 174.03 3a6c s LYS 13 N -3.01 3.71 0.48 4.82 -0.14 -1.26 -1.52 119.74 122.82 3a6c s LYS 13 Ca 0.07 0.09 -0.23 0.00 -1.36 0.00 0.00 55.97 54.54 3a6c s LYS 13 Cb -0.01 -2.79 -0.08 0.00 -1.68 0.00 0.00 37.83 33.27 3a6c s LYS 13 CO -0.01 0.42 1.20 -2.30 -0.76 0.00 0.00 175.35 173.91 3a6c n PRO 14 N 0.10 1.62 0.00 -1.68 -0.02 -1.26 -2.07 135.00 131.69 3a6c n PRO 14 Ca -0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3a6c n PRO 14 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3a6c n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3a6c n SER 15 N -0.21 0.00 -4.29 2.55 2.88 0.17 -4.91 113.62 109.81 3a6c n SER 15 Ca 0.09 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.34 3a6c n SER 15 Cb 0.42 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.05 3a6c n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a6c s GLN 16 N -0.06 0.92 -0.24 -1.46 -2.07 -0.88 -3.70 119.66 112.18 3a6c s GLN 16 Ca 0.00 -0.48 -0.12 0.00 -1.82 0.00 0.00 55.36 52.94 3a6c s GLN 16 Cb 0.00 -1.94 -0.05 0.00 -1.09 0.00 0.00 33.01 29.94 3a6c s GLN 16 CO 0.00 -2.18 0.21 0.99 -1.32 0.00 0.00 175.29 172.99 3a6c s THR 17 N -3.74 5.32 -0.14 3.63 2.01 -1.26 -2.01 115.64 119.45 3a6c s THR 17 Ca 0.72 0.28 -0.22 0.00 0.31 0.00 0.00 61.69 62.77 3a6c s THR 17 Cb -0.05 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3a6c s THR 17 CO 0.51 0.31 0.67 -0.22 -0.69 0.00 0.00 174.62 175.20 3a6c s LEU 18 N 1.25 4.22 -0.09 4.42 0.20 0.77 -4.90 118.68 124.54 3a6c s LEU 18 Ca 0.09 1.00 0.01 0.00 0.69 0.00 0.00 54.13 55.93 3a6c s LEU 18 Cb -0.14 -2.99 0.02 0.00 -0.43 0.00 0.00 46.19 42.64 3a6c s LEU 18 CO 0.06 -0.22 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.37 3a6c s SER 19 N 1.01 1.98 0.13 3.68 0.01 -1.26 -0.33 113.70 118.93 3a6c s SER 19 Ca 0.33 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.37 3a6c s SER 19 Cb -0.16 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 3a6c s SER 19 CO 0.13 -0.05 -0.20 -0.76 0.41 0.00 0.00 173.24 172.77 3a6c s LEU 20 N 1.25 2.36 0.04 2.44 1.43 -0.30 -4.39 118.68 121.51 3a6c s LEU 20 Ca -0.04 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.39 3a6c s LEU 20 Cb -0.14 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 3a6c s LEU 20 CO -0.03 0.02 -0.26 -0.89 0.23 0.00 0.00 176.35 175.42 3a6c s THR 21 N -1.55 2.11 -0.21 5.49 2.01 -0.07 -1.53 115.64 121.90 3a6c s THR 21 Ca 0.11 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 60.76 3a6c s THR 21 Cb -0.08 -1.80 0.04 0.00 0.01 0.00 0.00 72.50 70.67 3a6c s THR 21 CO 0.05 0.38 -0.13 0.00 -0.69 0.00 0.00 174.62 174.23 3a6c s SER 23 N 1.30 6.43 -0.19 0.00 0.01 -0.45 -1.97 113.70 118.84 3a6c s SER 23 Ca -0.01 0.51 -0.07 0.00 1.31 0.00 0.00 55.95 57.69 3a6c s SER 23 Cb -0.16 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 3a6c s SER 23 CO -0.09 -0.07 0.06 -0.69 0.41 0.00 0.00 173.24 172.86 3a6c s VAL 24 N 1.26 4.63 -0.04 3.43 1.01 -0.88 -2.24 120.40 127.58 3a6c s VAL 24 Ca 0.19 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3a6c s VAL 24 Cb -0.15 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3a6c s VAL 24 CO 0.08 0.44 -0.19 -0.89 0.00 0.00 0.00 175.10 174.53 3a6c s THR 25 N 0.61 1.59 0.00 3.92 2.01 -0.06 -4.76 115.64 118.95 3a6c s THR 25 Ca 0.03 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3a6c s THR 25 Cb -0.13 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3a6c s THR 25 CO 0.01 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3a6c n GLY 26 N 2.95 2.63 3.55 4.40 0.00 -1.26 -0.20 105.19 117.28 3a6c n GLY 26 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3a6c n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a6c s ASP 27 N -1.54 -0.36 0.39 1.61 3.68 -1.26 -4.60 116.67 114.59 3a6c s ASP 27 Ca 0.00 -0.11 -0.24 0.00 2.13 0.00 0.00 52.55 54.33 3a6c s ASP 27 Cb 0.00 0.46 -0.09 0.00 -1.45 0.00 0.00 42.92 41.84 3a6c s ASP 27 CO 0.00 -0.77 1.03 -0.55 0.13 0.00 0.00 175.17 175.01 3a6c s SER 28 N -2.64 6.82 0.22 -0.34 0.15 -1.26 -4.92 113.70 111.73 3a6c s SER 28 Ca 0.06 2.00 0.21 0.00 0.70 0.00 0.00 55.95 58.92 3a6c s SER 28 Cb -0.01 -2.58 0.93 0.00 -1.71 0.00 0.00 66.02 62.64 3a6c s SER 28 CO -0.07 -0.44 1.65 2.30 1.20 0.00 0.00 173.24 177.88 3a6c n ILE 29 N -0.04 0.91 1.62 6.45 -5.35 -1.26 -1.53 119.36 120.16 3a6c n ILE 29 Ca 0.05 0.30 0.15 0.00 -0.27 0.00 0.00 62.75 62.97 3a6c n ILE 29 Cb 0.50 -1.21 0.81 0.00 -1.74 0.00 0.00 39.64 37.99 3a6c n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3a6c n THR 30 N -2.12 0.03 -0.71 7.28 -2.24 -1.26 -3.42 114.28 111.84 3a6c n THR 30 Ca 0.02 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 3a6c n THR 30 Cb 0.19 -0.54 0.36 0.00 -2.10 0.00 0.00 70.33 68.25 3a6c n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a6c n SER 31 N -1.14 4.95 -3.32 3.42 7.64 -0.58 -4.97 113.62 119.62 3a6c n SER 31 Ca 0.18 -2.59 -0.05 0.00 1.01 0.00 0.00 58.87 57.42 3a6c n SER 31 Cb 0.16 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 62.78 3a6c n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a6c s ASP 32 N -0.94 -0.02 -0.08 6.43 -1.08 -1.22 -5.05 116.67 114.71 3a6c s ASP 32 Ca 0.51 -0.75 -0.04 0.00 -0.52 0.00 0.00 52.55 51.75 3a6c s ASP 32 Cb 0.35 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 42.36 3a6c s ASP 32 CO 0.22 -1.16 0.09 -0.31 0.52 0.00 0.00 175.17 174.52 3a6c s TYR 33 N -2.39 3.41 -0.05 -5.34 1.51 -1.26 -4.36 117.35 108.86 3a6c s TYR 33 Ca 0.19 0.36 0.06 0.00 -1.01 0.00 0.00 57.07 56.67 3a6c s TYR 33 Cb -0.03 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3a6c s TYR 33 CO 0.06 0.62 -0.25 -1.58 -1.11 0.00 0.00 175.55 173.29 3a6c s TRP 34 N -1.03 2.41 0.33 2.71 0.52 -0.45 -1.30 118.94 122.14 3a6c s TRP 34 Ca 0.16 -0.70 0.06 0.00 0.02 0.00 0.00 56.10 55.64 3a6c s TRP 34 Cb -0.12 -1.58 -0.07 0.00 -1.15 0.00 0.00 33.47 30.55 3a6c s TRP 34 CO 0.06 -0.21 0.01 -1.12 0.02 0.00 0.00 176.95 175.71 3a6c s SER 35 N -0.19 2.90 -0.05 2.95 0.01 0.06 -0.64 113.70 118.75 3a6c s SER 35 Ca -0.03 -1.32 0.01 0.00 1.31 0.00 0.00 55.95 55.93 3a6c s SER 35 Cb -0.13 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.92 3a6c s SER 35 CO 0.03 -0.48 -0.07 0.26 0.41 0.00 0.00 173.24 173.40 3a6c s TRP 36 N -3.05 0.92 0.02 2.43 0.52 -0.52 -2.26 118.94 117.00 3a6c s TRP 36 Ca 0.34 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.21 3a6c s TRP 36 Cb 0.07 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 3a6c s TRP 36 CO 0.15 -0.20 -0.10 0.42 0.02 0.00 0.00 176.95 177.24 3a6c s ILE 37 N 0.78 0.76 0.08 2.03 1.09 -0.25 -1.09 121.20 124.61 3a6c s ILE 37 Ca -0.12 -0.76 0.04 0.00 -1.10 0.00 0.00 60.65 58.71 3a6c s ILE 37 Cb -0.14 -0.71 -0.03 0.00 -1.06 0.00 0.00 42.46 40.52 3a6c s ILE 37 CO 0.01 -0.04 -0.10 0.00 -0.10 0.00 0.00 174.94 174.71 3a6c s ARG 38 N -0.89 0.78 -0.16 2.79 1.70 -0.71 0.06 118.95 122.51 3a6c s ARG 38 Ca -0.01 -1.05 0.02 0.00 -0.47 0.00 0.00 55.73 54.22 3a6c s ARG 38 Cb -0.06 -0.53 0.02 0.00 -0.57 0.00 0.00 34.95 33.80 3a6c s ARG 38 CO 0.00 0.09 -0.20 0.21 -1.08 0.00 0.00 175.30 174.32 3a6c s LYS 39 N -2.40 2.97 0.46 3.89 2.20 0.44 -0.99 119.74 126.30 3a6c s LYS 39 Ca 0.01 -0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 54.62 3a6c s LYS 39 Cb -0.05 -2.50 -0.09 0.00 -1.51 0.00 0.00 37.83 33.68 3a6c s LYS 39 CO 0.00 -0.14 0.93 -0.06 -0.36 0.00 0.00 175.35 175.72 3a6c s PHE 40 N 1.13 3.40 0.48 4.03 0.08 0.82 -1.11 117.98 126.81 3a6c s PHE 40 Ca 0.01 1.45 0.26 0.00 0.12 0.00 0.00 56.93 58.76 3a6c s PHE 40 Cb -0.14 -2.75 0.89 0.00 -0.57 0.00 0.00 43.02 40.45 3a6c s PHE 40 CO -0.09 -0.22 1.09 -2.30 -0.10 0.00 0.00 175.22 173.60 3a6c n PRO 41 N -1.15 0.01 -1.54 0.24 -0.02 -1.26 -1.67 135.00 129.61 3a6c n PRO 41 Ca 0.06 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 62.08 3a6c n PRO 41 Cb 0.54 -2.04 0.07 0.00 -0.02 0.00 0.00 33.50 32.05 3a6c n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a6c n GLY 42 N -1.58 5.97 2.39 -1.23 0.00 -1.26 -4.91 105.19 104.57 3a6c n GLY 42 Ca 0.23 -2.34 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 3a6c n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a6c n ASN 43 N -0.87 -4.95 -4.60 1.61 3.02 -0.67 -4.99 115.26 103.82 3a6c n ASN 43 Ca 0.55 0.17 -0.37 0.00 -0.03 0.00 0.00 54.58 54.89 3a6c n ASN 43 Cb 0.82 -4.00 -0.11 0.00 -0.61 0.00 0.00 39.78 35.89 3a6c n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3a6c s ARG 44 N -4.22 3.96 -0.11 3.52 3.52 -1.21 -4.94 118.95 119.48 3a6c s ARG 44 Ca 0.00 -0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.22 3a6c s ARG 44 Cb 0.00 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3a6c s ARG 44 CO 0.00 -0.11 0.13 -0.51 -0.81 0.00 0.00 175.30 174.00 3a6c s LEU 45 N 1.54 4.32 -0.06 -0.88 1.43 -1.26 -0.13 118.68 123.65 3a6c s LEU 45 Ca 0.07 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3a6c s LEU 45 Cb -0.15 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 43.99 3a6c s LEU 45 CO 0.09 0.39 -0.04 -0.70 0.23 0.00 0.00 176.35 176.32 3a6c s GLU 46 N -1.11 0.85 -0.41 1.70 2.12 -0.16 -5.01 118.70 116.67 3a6c s GLU 46 Ca 0.16 -0.07 -0.26 0.00 0.36 0.00 0.00 54.97 55.16 3a6c s GLU 46 Cb -0.12 -0.93 0.02 0.00 0.26 0.00 0.00 34.13 33.36 3a6c s GLU 46 CO 0.05 -0.14 0.94 -0.47 -0.54 0.00 0.00 175.26 175.10 3a6c s TYR 47 N 1.20 3.00 0.01 5.30 6.14 -1.26 -1.74 117.35 130.00 3a6c s TYR 47 Ca -0.06 0.62 -0.20 0.00 0.64 0.00 0.00 57.07 58.06 3a6c s TYR 47 Cb -0.14 -3.82 -0.21 0.00 0.42 0.00 0.00 41.96 38.21 3a6c s TYR 47 CO -0.02 -0.96 1.16 0.52 0.64 0.00 0.00 175.55 176.89 3a6c h MET 48 N 8.76 0.40 0.00 4.97 2.86 -1.47 -3.40 114.93 127.04 3a6c h MET 48 Ca -0.23 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 3a6c h MET 48 Cb 1.08 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3a6c h MET 48 CO 1.01 1.02 0.00 0.41 1.06 0.00 0.00 176.91 180.40 3a6c n GLY 49 N 0.85 -0.24 3.30 8.32 0.00 -1.16 -0.54 105.19 115.72 3a6c n GLY 49 Ca -0.09 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 3a6c n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a6c s TYR 50 N -2.00 0.00 -0.11 1.61 1.13 -0.45 -1.44 117.35 116.09 3a6c s TYR 50 Ca 0.00 -0.37 0.03 0.00 -1.41 0.00 0.00 57.07 55.32 3a6c s TYR 50 Cb 0.00 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 40.99 3a6c s TYR 50 CO 0.00 -0.67 -0.20 0.54 -2.51 0.00 0.00 175.55 172.71 3a6c s VAL 51 N -3.85 1.84 0.57 -3.49 0.11 0.18 -1.46 120.40 114.31 3a6c s VAL 51 Ca 0.06 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 3a6c s VAL 51 Cb 0.03 -1.62 0.06 0.00 -1.53 0.00 0.00 36.38 33.31 3a6c s VAL 51 CO -0.09 0.51 0.80 -0.94 -3.33 0.00 0.00 175.10 172.04 3a6c s SER 52 N 0.63 5.08 0.42 3.54 1.04 -0.61 -1.34 113.70 122.47 3a6c s SER 52 Ca -0.13 -0.30 0.19 0.00 0.48 0.00 0.00 55.95 56.19 3a6c s SER 52 Cb -0.16 -0.44 1.13 0.00 0.10 0.00 0.00 66.02 66.65 3a6c s SER 52 CO 0.03 -1.29 1.80 0.10 0.98 0.00 0.00 173.24 174.87 3a6c h TYR 53 N 0.04 0.57 0.00 5.02 -0.00 -1.89 0.17 116.97 120.88 3a6c h TYR 53 Ca -0.38 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.37 3a6c h TYR 53 Cb 1.29 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 37.85 3a6c h TYR 53 CO 0.24 0.09 0.00 0.66 -0.00 0.00 0.00 178.16 179.15 3a6c h SER 54 N 0.37 0.00 0.00 0.10 4.64 -1.96 -3.46 113.55 113.23 3a6c h SER 54 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3a6c h SER 54 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3a6c h SER 54 CO -0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 3a6c n GLY 55 N 0.73 0.48 3.77 -0.77 0.00 0.05 -5.07 105.19 104.38 3a6c n GLY 55 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3a6c n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a6c s SER 56 N -2.11 6.47 0.22 1.61 1.04 -1.26 -4.78 113.70 114.90 3a6c s SER 56 Ca 0.00 2.52 0.11 0.00 0.48 0.00 0.00 55.95 59.06 3a6c s SER 56 Cb 0.00 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 3a6c s SER 56 CO 0.00 -0.72 -0.16 0.42 0.98 0.00 0.00 173.24 173.76 3a6c s THR 57 N -1.30 2.75 -0.07 2.02 -4.23 -1.26 -1.57 115.64 111.98 3a6c s THR 57 Ca 0.56 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3a6c s THR 57 Cb -0.35 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3a6c s THR 57 CO 0.45 -0.23 0.01 -0.31 -0.54 0.00 0.00 174.62 174.00 3a6c s TYR 58 N -2.00 0.62 0.06 3.99 2.02 -0.54 -5.00 117.35 116.50 3a6c s TYR 58 Ca 0.26 -0.14 0.09 0.00 -0.37 0.00 0.00 57.07 56.91 3a6c s TYR 58 Cb -0.07 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 3a6c s TYR 58 CO 0.14 -0.32 -0.25 0.71 -1.57 0.00 0.00 175.55 174.26 3a6c s TYR 59 N 1.99 2.37 0.10 2.71 2.02 -1.26 -1.34 117.35 123.93 3a6c s TYR 59 Ca 0.05 -0.37 -0.31 0.00 -0.37 0.00 0.00 57.07 56.07 3a6c s TYR 59 Cb -0.12 -1.37 -0.08 0.00 -0.40 0.00 0.00 41.96 39.99 3a6c s TYR 59 CO -0.05 0.20 1.42 1.21 -1.57 0.00 0.00 175.55 176.76 3a6c s ASN 60 N -1.47 6.80 0.58 2.29 3.84 0.30 -4.88 114.94 122.40 3a6c s ASN 60 Ca 0.13 2.32 0.28 0.00 0.21 0.00 0.00 52.86 55.79 3a6c s ASN 60 Cb -0.10 -2.58 1.57 0.00 -0.55 0.00 0.00 41.25 39.58 3a6c s ASN 60 CO 0.04 -0.69 2.05 -0.65 -2.79 0.00 0.00 177.10 175.06 3a6c h PRO 61 N 7.05 0.00 0.00 0.43 0.11 -1.94 -0.75 132.00 136.90 3a6c h PRO 61 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3a6c h PRO 61 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3a6c h PRO 61 CO 0.88 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 179.32 3a6c h SER 62 N 0.00 0.00 -0.07 -2.05 4.64 -1.97 -1.54 113.55 112.56 3a6c h SER 62 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3a6c h SER 62 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3a6c h SER 62 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3a6c n LEU 63 N -3.29 0.96 -4.39 5.97 4.77 -0.29 -4.94 117.00 115.80 3a6c n LEU 63 Ca -0.03 -0.38 -0.40 0.00 -0.03 0.00 0.00 56.01 55.17 3a6c n LEU 63 Cb 0.08 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3a6c n LEU 63 CO 0.22 0.19 -0.12 0.29 -1.33 0.00 0.00 177.39 176.64 3a6c n LYS 64 N -0.18 -1.39 -1.26 3.23 4.76 -0.58 -0.48 118.16 122.26 3a6c n LYS 64 Ca 0.17 0.19 -0.09 0.00 -2.87 0.00 0.00 58.31 55.71 3a6c n LYS 64 Cb 0.23 -4.81 -0.04 0.00 -1.84 0.00 0.00 35.03 28.57 3a6c n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3a6c n SER 65 N -2.47 -4.36 -0.06 4.39 7.64 -1.26 -4.86 113.62 112.63 3a6c n SER 65 Ca 0.11 0.22 0.13 0.00 1.01 0.00 0.00 58.87 60.34 3a6c n SER 65 Cb 0.46 -2.66 0.38 0.00 -1.01 0.00 0.00 64.21 61.38 3a6c n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a6c n ARG 66 N -2.37 0.26 -3.98 1.43 1.74 0.37 -4.91 116.66 109.20 3a6c n ARG 66 Ca -0.09 -0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 56.54 3a6c n ARG 66 Cb 0.34 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 3a6c n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3a6c s ILE 67 N -2.83 5.14 -0.07 0.55 2.07 -1.26 -0.68 121.20 124.13 3a6c s ILE 67 Ca 0.16 -0.32 -0.03 0.00 -1.41 0.00 0.00 60.65 59.06 3a6c s ILE 67 Cb 0.18 -3.41 0.04 0.00 0.13 0.00 0.00 42.46 39.40 3a6c s ILE 67 CO 0.61 0.29 0.15 -0.55 -1.91 0.00 0.00 174.94 173.52 3a6c s SER 68 N -2.00 -0.11 -0.15 4.50 0.15 -0.35 -5.00 113.70 110.73 3a6c s SER 68 Ca 0.27 0.30 0.02 0.00 0.70 0.00 0.00 55.95 57.24 3a6c s SER 68 Cb -0.12 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 3a6c s SER 68 CO 0.19 -0.15 -0.21 -0.63 1.20 0.00 0.00 173.24 173.64 3a6c s ILE 69 N 1.18 2.11 0.29 6.45 1.01 -1.26 -1.20 121.20 129.78 3a6c s ILE 69 Ca -0.09 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.64 3a6c s ILE 69 Cb -0.12 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 3a6c s ILE 69 CO -0.06 0.54 0.06 0.42 0.00 0.00 0.00 174.94 175.91 3a6c s THR 70 N 0.94 0.96 0.13 2.92 -4.23 -1.06 -4.96 115.64 110.34 3a6c s THR 70 Ca -0.04 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 3a6c s THR 70 Cb -0.15 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 3a6c s THR 70 CO -0.05 -0.04 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.76 3a6c s ARG 71 N -3.94 1.00 -0.33 3.99 0.52 -1.26 -0.05 118.95 118.88 3a6c s ARG 71 Ca 0.36 -1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 54.19 3a6c s ARG 71 Cb 0.08 -0.59 0.13 0.00 0.52 0.00 0.00 34.95 35.09 3a6c s ARG 71 CO 0.14 0.08 0.22 0.34 0.02 0.00 0.00 175.30 176.10 3a6c s ASP 72 N -2.96 2.72 0.35 0.23 -1.08 -0.08 -4.98 116.67 110.86 3a6c s ASP 72 Ca 0.13 -1.67 0.03 0.00 -0.52 0.00 0.00 52.55 50.53 3a6c s ASP 72 Cb 0.01 -0.14 0.66 0.00 -1.46 0.00 0.00 42.92 41.99 3a6c s ASP 72 CO 0.00 -0.35 1.97 0.71 0.52 0.00 0.00 175.17 178.02 3a6c h THR 73 N 5.57 1.09 -0.32 1.71 1.35 -1.96 0.12 112.91 120.46 3a6c h THR 73 Ca -0.04 -0.29 -0.04 0.00 -0.55 0.00 0.00 66.41 65.49 3a6c h THR 73 Cb 1.01 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 3a6c h THR 73 CO 0.31 0.16 0.02 0.77 -0.25 0.00 0.00 175.52 176.53 3a6c h SER 74 N 0.85 0.45 -0.01 5.36 4.64 -1.95 -2.37 113.55 120.52 3a6c h SER 74 Ca 0.29 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3a6c h SER 74 Cb 0.10 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3a6c h SER 74 CO -0.09 0.50 -0.44 0.29 -0.87 0.00 0.00 176.83 176.22 3a6c n LYS 75 N -4.31 1.29 -3.69 4.77 5.02 -0.91 -4.98 118.16 115.35 3a6c n LYS 75 Ca 0.01 -1.07 -0.23 0.00 -2.02 0.00 0.00 58.31 55.01 3a6c n LYS 75 Cb 0.22 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 3a6c n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a6c n ASN 76 N 0.08 -1.95 -4.08 4.39 4.05 0.37 -4.85 115.26 113.26 3a6c n ASN 76 Ca 0.10 -0.86 -0.08 0.00 0.45 0.00 0.00 54.58 54.19 3a6c n ASN 76 Cb 0.48 -3.95 -0.10 0.00 1.23 0.00 0.00 39.78 37.44 3a6c n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3a6c s GLN 77 N -5.93 0.59 0.11 1.20 -0.21 -0.98 -2.07 119.66 112.38 3a6c s GLN 77 Ca 0.09 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 54.35 3a6c s GLN 77 Cb -0.03 0.16 -0.04 0.00 1.00 0.00 0.00 33.01 34.10 3a6c s GLN 77 CO 0.82 -0.09 -0.06 1.52 -2.12 0.00 0.00 175.29 175.36 3a6c s TYR 78 N -3.54 0.96 0.20 0.91 1.13 -0.83 -0.90 117.35 115.28 3a6c s TYR 78 Ca 0.04 -0.92 0.03 0.00 -1.41 0.00 0.00 57.07 54.81 3a6c s TYR 78 Cb 0.05 -0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 40.32 3a6c s TYR 78 CO -0.08 -0.14 -0.01 0.71 -2.51 0.00 0.00 175.55 173.52 3a6c s TYR 79 N -3.61 1.38 -0.09 -3.49 2.02 0.93 -1.02 117.35 113.47 3a6c s TYR 79 Ca 0.14 -0.95 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 3a6c s TYR 79 Cb 0.05 -0.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.84 3a6c s TYR 79 CO -0.03 -0.11 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.55 3a6c s LEU 80 N -3.23 1.59 -0.11 -1.29 2.96 -0.58 -2.57 118.68 115.45 3a6c s LEU 80 Ca 0.25 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3a6c s LEU 80 Cb 0.05 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.85 3a6c s LEU 80 CO 0.06 0.00 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.13 3a6c s ASP 81 N 0.93 2.46 -0.22 3.68 1.01 -0.34 -1.14 116.67 123.05 3a6c s ASP 81 Ca -0.09 -0.43 0.01 0.00 0.71 0.00 0.00 52.55 52.75 3a6c s ASP 81 Cb -0.15 -1.10 0.05 0.00 1.01 0.00 0.00 42.92 42.73 3a6c s ASP 81 CO 0.00 0.01 -0.07 -0.22 0.21 0.00 0.00 175.17 175.10 3a6c s LEU 82 N 1.01 2.47 0.56 1.23 2.96 0.55 -1.22 118.68 126.24 3a6c s LEU 82 Ca -0.06 -1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 52.71 3a6c s LEU 82 Cb -0.15 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3a6c s LEU 82 CO -0.02 -0.20 0.92 0.20 -1.32 0.00 0.00 176.35 175.93 3a6c s ASN 83 N 1.39 6.23 -1.30 3.68 0.01 0.15 -0.17 114.94 124.93 3a6c s ASN 83 Ca -0.04 1.19 -0.25 0.00 -0.71 0.00 0.00 52.86 53.05 3a6c s ASN 83 Cb -0.18 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.16 3a6c s ASN 83 CO -0.07 -0.75 0.52 -1.20 -1.51 0.00 0.00 177.10 174.10 3a6c n SER 84 N -2.53 -2.87 -4.76 -1.22 7.64 -1.04 -4.90 113.62 103.94 3a6c n SER 84 Ca 0.04 -1.27 -0.31 0.00 1.01 0.00 0.00 58.87 58.33 3a6c n SER 84 Cb 0.55 -1.79 0.10 0.00 -1.01 0.00 0.00 64.21 62.05 3a6c n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3a6c s VAL 85 N -3.74 3.18 0.34 0.44 -7.23 -0.85 -4.56 120.40 107.97 3a6c s VAL 85 Ca 0.36 0.40 0.05 0.00 -1.81 0.00 0.00 61.98 60.98 3a6c s VAL 85 Cb -0.19 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 3a6c s VAL 85 CO 0.97 -0.48 0.21 0.42 -0.31 0.00 0.00 175.10 175.91 3a6c s THR 86 N -2.81 0.21 0.42 5.32 -4.23 -1.26 0.43 115.64 113.71 3a6c s THR 86 Ca 0.62 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.52 3a6c s THR 86 Cb -0.18 -2.46 0.38 0.00 1.34 0.00 0.00 72.50 71.58 3a6c s THR 86 CO 0.55 0.00 2.17 0.71 -0.54 0.00 0.00 174.62 177.51 3a6c h THR 87 N 2.10 0.00 0.00 3.99 1.35 -1.98 0.45 112.91 118.81 3a6c h THR 87 Ca -0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3a6c h THR 87 Cb 1.25 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3a6c h THR 87 CO 0.45 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.39 3a6c h GLU 88 N 0.00 0.00 -0.16 4.72 4.39 -1.95 -2.61 114.58 118.98 3a6c h GLU 88 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3a6c h GLU 88 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3a6c h GLU 88 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 3a6c n ASP 89 N -2.49 1.97 -4.69 1.42 8.00 0.15 -4.87 116.55 116.04 3a6c n ASP 89 Ca 0.02 -1.72 -0.42 0.00 0.71 0.00 0.00 54.79 53.37 3a6c n ASP 89 Cb 0.25 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3a6c n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3a6c s THR 90 N -1.81 3.63 -0.01 -3.53 2.01 -0.99 -4.83 115.64 110.12 3a6c s THR 90 Ca 0.34 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 3a6c s THR 90 Cb 0.19 -3.67 0.10 0.00 0.01 0.00 0.00 72.50 69.13 3a6c s THR 90 CO 0.29 0.01 1.28 0.00 -0.69 0.00 0.00 174.62 175.51 3a6c s ALA 91 N 2.28 -2.42 -0.26 7.40 0.00 -0.84 -4.47 121.76 123.44 3a6c s ALA 91 Ca 0.64 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3a6c s ALA 91 Cb -0.32 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 3a6c s ALA 91 CO 0.27 -1.14 0.17 0.99 0.00 0.00 0.00 175.76 176.06 3a6c s THR 92 N -2.07 5.33 -0.17 0.00 2.01 -0.27 -1.20 115.64 119.28 3a6c s THR 92 Ca 0.27 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.37 3a6c s THR 92 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 3a6c s THR 92 CO -0.01 0.30 0.11 -0.31 -0.69 0.00 0.00 174.62 174.02 3a6c s TYR 93 N 1.41 3.42 0.04 4.92 1.51 0.16 -0.42 117.35 128.39 3a6c s TYR 93 Ca 0.07 0.33 0.06 0.00 -1.01 0.00 0.00 57.07 56.51 3a6c s TYR 93 Cb -0.15 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 3a6c s TYR 93 CO 0.08 0.40 -0.16 0.71 -1.11 0.00 0.00 175.55 175.46 3a6c s TYR 94 N -0.09 1.43 0.06 2.71 1.51 0.11 -0.55 117.35 122.53 3a6c s TYR 94 Ca 0.09 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 3a6c s TYR 94 Cb -0.12 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 3a6c s TYR 94 CO 0.00 0.05 -0.05 0.00 -1.11 0.00 0.00 175.55 174.44 3a6c s ALA 96 N -1.16 -1.62 0.67 0.00 0.00 -0.96 -0.44 121.76 118.25 3a6c s ALA 96 Ca 0.21 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 3a6c s ALA 96 Cb -0.11 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 3a6c s ALA 96 CO 0.13 -0.73 1.06 0.54 0.00 0.00 0.00 175.76 176.76 3a6c s ASN 97 N -2.61 5.80 0.33 0.00 6.03 -0.48 -0.76 114.94 123.25 3a6c s ASN 97 Ca 0.00 1.30 0.06 0.00 -1.03 0.00 0.00 52.86 53.19 3a6c s ASN 97 Cb -0.01 -2.22 0.72 0.00 -3.03 0.00 0.00 41.25 36.71 3a6c s ASN 97 CO -0.11 -1.13 1.87 -0.25 -2.03 0.00 0.00 177.10 175.45 3a6c h TRP 98 N -0.50 0.93 0.00 1.54 7.01 -1.54 -0.94 115.95 122.45 3a6c h TRP 98 Ca -0.44 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.57 3a6c h TRP 98 Cb 1.22 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.98 3a6c h TRP 98 CO 0.58 0.37 -0.06 -0.44 -2.79 0.00 0.00 178.44 176.10 3a6c h ASP 99 N 0.81 0.00 0.00 2.65 3.32 -1.92 -3.46 116.42 117.81 3a6c h ASP 99 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3a6c h ASP 99 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3a6c h ASP 99 CO -0.22 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 177.97 3a6c n GLY 100 N -0.34 0.55 0.08 2.75 0.00 -0.36 -4.92 105.19 102.95 3a6c n GLY 100 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3a6c n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a6c h ASP 101 N 0.00 0.00 -3.27 1.61 3.32 -1.90 -3.45 116.42 112.73 3a6c h ASP 101 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3a6c h ASP 101 Cb 0.00 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.24 3a6c h ASP 101 CO 0.00 0.89 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.30 3a6c s TYR 102 N -2.73 2.79 0.11 4.55 2.02 -1.26 -5.04 117.35 117.79 3a6c s TYR 102 Ca -0.01 -1.08 0.05 0.00 -0.37 0.00 0.00 57.07 55.67 3a6c s TYR 102 Cb 0.09 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3a6c s TYR 102 CO 0.81 -0.50 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.57 3a6c s TRP 103 N 0.89 1.31 0.60 2.71 0.52 -1.26 -1.39 118.94 122.33 3a6c s TRP 103 Ca -0.04 -0.56 -0.08 0.00 0.02 0.00 0.00 56.10 55.44 3a6c s TRP 103 Cb -0.15 -0.70 0.13 0.00 -1.15 0.00 0.00 33.47 31.61 3a6c s TRP 103 CO -0.01 0.11 0.82 0.41 0.02 0.00 0.00 176.95 178.29 3a6c n GLY 104 N 0.65 -0.82 0.07 0.98 0.00 0.41 -4.45 105.19 102.04 3a6c n GLY 104 Ca -0.16 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.20 3a6c n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6c n GLN 105 N -2.69 0.23 0.00 1.61 10.64 -1.26 -4.84 117.38 121.08 3a6c n GLN 105 Ca 0.11 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 3a6c n GLN 105 Cb 0.38 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 3a6c n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3a6c n GLY 106 N 1.35 -0.74 2.82 2.61 0.00 -1.26 -5.05 105.19 104.92 3a6c n GLY 106 Ca 0.05 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 3a6c n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a6c s THR 107 N -2.08 0.22 0.05 2.61 -1.32 0.29 -4.92 115.64 110.48 3a6c s THR 107 Ca 0.00 0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.26 3a6c s THR 107 Cb 0.00 -0.31 -0.05 0.00 -1.51 0.00 0.00 72.50 70.63 3a6c s THR 107 CO 0.00 0.16 1.04 -0.22 -2.21 0.00 0.00 174.62 173.39 3a6c s LEU 108 N 1.10 4.41 -0.13 9.08 2.96 -1.26 -0.66 118.68 134.17 3a6c s LEU 108 Ca -0.09 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 3a6c s LEU 108 Cb -0.13 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.00 3a6c s LEU 108 CO -0.02 -0.27 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.92 3a6c s VAL 109 N 0.71 1.45 -0.16 1.68 1.01 -0.34 -4.54 120.40 120.21 3a6c s VAL 109 Ca 0.52 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 3a6c s VAL 109 Cb -0.24 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3a6c s VAL 109 CO 0.29 0.44 -0.06 -0.89 0.00 0.00 0.00 175.10 174.88 3a6c s THR 110 N 1.43 3.65 -0.35 3.92 2.01 0.80 -1.98 115.64 125.12 3a6c s THR 110 Ca 0.03 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.45 3a6c s THR 110 Cb -0.13 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 3a6c s THR 110 CO -0.08 0.49 0.28 -0.69 -0.69 0.00 0.00 174.62 173.92 3a6c s VAL 111 N 0.52 5.25 -0.12 3.82 1.01 -1.26 -1.67 120.40 127.96 3a6c s VAL 111 Ca -0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 3a6c s VAL 111 Cb -0.15 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3a6c s VAL 111 CO 0.03 -0.05 0.37 -0.55 0.00 0.00 0.00 175.10 174.90 3a6c s SER 112 N 1.72 -0.36 0.60 3.32 0.15 -0.57 -4.51 113.70 114.05 3a6c s SER 112 Ca 0.08 0.64 0.36 0.00 0.70 0.00 0.00 55.95 57.72 3a6c s SER 112 Cb -0.17 0.68 1.89 0.00 -1.71 0.00 0.00 66.02 66.71 3a6c s SER 112 CO 0.11 -0.20 2.21 0.00 1.20 0.00 0.00 173.24 176.55 3a6c h ALA 113 N 5.18 1.14 0.00 5.45 0.00 -1.96 -3.39 119.26 125.69 3a6c h ALA 113 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a6c h ALA 113 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a6c h ALA 113 CO 0.29 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.59