#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gag h ASP 4 N 0.00 0.95 -0.24 1.20 3.32 -2.05 -1.31 116.42 118.29 3gag h ASP 4 Ca 0.00 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 3gag h ASP 4 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3gag h ASP 4 CO 0.00 1.00 -0.33 1.88 -1.72 0.00 0.00 179.24 180.06 3gag h TYR 5 N 0.90 0.88 -0.27 4.55 0.05 -2.05 -0.67 116.97 120.36 3gag h TYR 5 Ca 0.17 -0.24 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 3gag h TYR 5 Cb 0.51 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3gag h TYR 5 CO 0.03 0.98 -0.09 1.25 -1.05 0.00 0.00 178.16 179.29 3gag h LEU 6 N 0.63 0.54 -1.17 3.88 5.85 -1.97 -1.40 115.31 121.67 3gag h LEU 6 Ca 0.07 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3gag h LEU 6 Cb 0.86 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3gag h LEU 6 CO 0.08 0.80 0.45 0.78 -0.34 0.00 0.00 178.44 180.21 3gag h ASN 7 N 0.28 0.90 0.44 1.25 2.35 -1.17 -0.75 115.58 118.88 3gag h ASN 7 Ca 0.06 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3gag h ASN 7 Cb 0.57 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3gag h ASN 7 CO 0.03 0.69 -0.23 0.15 -1.65 0.00 0.00 177.43 176.42 3gag h PHE 8 N 1.04 -0.60 -0.65 1.19 3.57 -0.88 -1.79 116.94 118.81 3gag h PHE 8 Ca 0.27 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.82 3gag h PHE 8 Cb -0.04 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 3gag h PHE 8 CO 0.00 -0.36 0.35 -0.07 -2.23 0.00 0.00 178.31 176.00 3gag h LEU 9 N -0.62 0.51 -2.52 0.59 3.38 -0.98 -1.39 115.31 114.29 3gag h LEU 9 Ca -0.06 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gag h LEU 9 Cb 0.49 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gag h LEU 9 CO 0.08 0.33 -0.02 0.44 0.09 0.00 0.00 178.44 179.36 3gag h ASP 10 N 0.65 0.00 0.83 -0.43 3.32 -0.97 -2.87 116.42 116.95 3gag h ASP 10 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3gag h ASP 10 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3gag h ASP 10 CO -0.19 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 177.96 3gag n GLY 11 N -0.91 -1.31 3.65 2.75 0.00 -0.52 -4.72 105.19 104.13 3gag n GLY 11 Ca -0.02 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3gag n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gag s ARG 12 N -3.06 4.07 0.14 1.61 3.52 -1.09 -4.99 118.95 119.15 3gag s ARG 12 Ca 0.09 1.63 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 3gag s ARG 12 Cb 0.13 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 3gag s ARG 12 CO 0.42 -0.94 0.02 0.14 -0.81 0.00 0.00 175.30 174.14 3gag s VAL 13 N 4.10 0.38 0.04 7.11 -7.23 -1.26 -5.05 120.40 118.48 3gag s VAL 13 Ca 0.61 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 3gag s VAL 13 Cb -0.23 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 3gag s VAL 13 CO 0.21 -0.51 1.19 -0.44 -0.31 0.00 0.00 175.10 175.25 3gag s SER 14 N -3.10 7.09 -0.17 4.85 0.01 -1.26 -4.59 113.70 116.52 3gag s SER 14 Ca 0.23 1.96 -0.03 0.00 1.31 0.00 0.00 55.95 59.42 3gag s SER 14 Cb 0.07 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 3gag s SER 14 CO 0.02 -0.48 -0.07 -0.69 0.41 0.00 0.00 173.24 172.42 3gag s VAL 15 N 1.29 3.40 -0.54 3.43 1.01 -0.52 -4.32 120.40 124.15 3gag s VAL 15 Ca 0.58 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.10 3gag s VAL 15 Cb -0.28 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3gag s VAL 15 CO 0.28 0.48 0.53 0.54 0.00 0.00 0.00 175.10 176.92 3gag n ARG 16 N 4.00 1.54 -3.88 2.72 1.74 -1.26 -3.90 116.66 117.62 3gag n ARG 16 Ca -0.18 -0.57 -0.35 0.00 -0.77 0.00 0.00 57.85 55.99 3gag n ARG 16 Cb 0.52 -0.99 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 3gag n ARG 16 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gag s ARG 17 N -0.77 2.14 0.20 5.56 3.00 -1.26 -4.03 118.95 123.79 3gag s ARG 17 Ca 0.05 -1.55 0.08 0.00 0.00 0.00 0.00 55.73 54.31 3gag s ARG 17 Cb 0.04 -3.32 -0.04 0.00 0.00 0.00 0.00 34.95 31.63 3gag s ARG 17 CO 0.11 -0.83 -0.01 -0.06 0.00 0.00 0.00 175.30 174.51 3gag s PHE 18 N 1.16 2.77 -0.45 -0.53 0.08 -1.26 -0.93 117.98 118.81 3gag s PHE 18 Ca 0.02 -0.18 -0.28 0.00 0.12 0.00 0.00 56.93 56.61 3gag s PHE 18 Cb -0.21 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 3gag s PHE 18 CO -0.03 0.54 1.09 0.34 -0.10 0.00 0.00 175.22 177.06 3gag s ASP 19 N -3.15 6.65 0.09 1.36 -1.08 -0.08 -4.75 116.67 115.72 3gag s ASP 19 Ca 0.28 0.49 0.15 0.00 -0.52 0.00 0.00 52.55 52.95 3gag s ASP 19 Cb -0.08 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.50 3gag s ASP 19 CO 0.18 -1.17 1.47 -0.81 0.52 0.00 0.00 175.17 175.36 3gag n PRO 20 N 7.60 0.06 0.01 4.34 -0.04 -1.24 -2.02 135.00 143.71 3gag n PRO 20 Ca 0.11 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 3gag n PRO 20 Cb 0.49 -1.63 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 3gag n PRO 20 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gag n ASP 21 N -1.75 0.68 -4.77 3.54 8.00 -1.26 -4.96 116.55 116.02 3gag n ASP 21 Ca 0.02 -0.44 -0.37 0.00 0.71 0.00 0.00 54.79 54.71 3gag n ASP 21 Cb 0.15 0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 41.96 3gag n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gag s ALA 22 N -3.09 3.02 0.02 2.24 0.00 -0.86 -5.04 121.76 118.05 3gag s ALA 22 Ca 0.07 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.02 3gag s ALA 22 Cb 0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3gag s ALA 22 CO 0.79 -0.60 -0.19 0.08 0.00 0.00 0.00 175.76 175.84 3gag s VAL 23 N -1.53 2.68 -0.33 0.00 1.01 -1.26 -4.58 120.40 116.39 3gag s VAL 23 Ca 0.62 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3gag s VAL 23 Cb -0.29 -2.08 0.09 0.00 0.00 0.00 0.00 36.38 34.10 3gag s VAL 23 CO 0.35 0.42 0.04 -0.22 0.00 0.00 0.00 175.10 175.69 3gag s LEU 24 N -1.18 4.48 0.59 3.92 2.96 -1.26 -5.02 118.68 123.17 3gag s LEU 24 Ca 0.13 -1.87 -0.18 0.00 -0.22 0.00 0.00 54.13 51.99 3gag s LEU 24 Cb -0.10 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3gag s LEU 24 CO 0.03 -0.36 1.14 -2.16 -1.32 0.00 0.00 176.35 173.69 3gag s PRO 25 N 1.03 3.06 0.41 0.98 0.04 -1.26 -4.84 135.00 134.42 3gag s PRO 25 Ca 0.04 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.77 3gag s PRO 25 Cb -0.20 -1.97 0.88 0.00 0.04 0.00 0.00 34.50 33.25 3gag s PRO 25 CO -0.06 -1.08 2.03 -0.91 0.04 0.00 0.00 177.00 177.02 3gag h ASN 26 N 0.75 0.38 -0.66 6.66 4.21 -1.99 -1.86 115.58 123.07 3gag h ASN 26 Ca -0.49 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 56.99 3gag h ASN 26 Cb 1.27 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 38.34 3gag h ASN 26 CO 0.55 0.33 0.39 -2.24 -1.29 0.00 0.00 177.43 175.17 3gag h ASP 27 N 0.43 0.80 -0.48 5.81 2.03 -2.00 -0.75 116.42 122.27 3gag h ASP 27 Ca 0.11 -0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 56.21 3gag h ASP 27 Cb 0.04 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.33 3gag h ASP 27 CO -0.02 0.64 -0.20 -0.07 -1.03 0.00 0.00 179.24 178.57 3gag h LEU 28 N 0.90 1.01 -0.60 0.15 3.38 -1.78 -1.98 115.31 116.40 3gag h LEU 28 Ca 0.24 -0.38 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3gag h LEU 28 Cb -0.00 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 3gag h LEU 28 CO -0.04 1.17 0.21 0.40 0.09 0.00 0.00 178.44 180.26 3gag h ILE 29 N 0.86 0.75 -0.27 1.22 2.04 -0.90 -2.35 117.51 118.87 3gag h ILE 29 Ca 0.12 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3gag h ILE 29 Cb 0.77 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3gag h ILE 29 CO 0.06 0.07 0.12 0.11 0.00 0.00 0.00 178.15 178.51 3gag h LYS 30 N 0.37 0.39 -1.57 2.37 1.57 -1.00 -0.68 116.57 118.01 3gag h LYS 30 Ca 0.30 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3gag h LYS 30 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3gag h LYS 30 CO -0.32 0.39 0.00 -0.25 -0.57 0.00 0.00 179.45 178.71 3gag n ASP 31 N -4.79 0.00 0.00 0.86 8.00 -0.76 -1.39 116.55 118.47 3gag n ASP 31 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3gag n ASP 31 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3gag n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gag n LEU 33 N 0.89 0.00 0.06 0.64 4.77 -0.26 -1.30 117.00 121.80 3gag n LEU 33 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3gag n LEU 33 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3gag n LEU 33 CO 0.00 0.00 0.69 -0.08 -1.33 0.00 0.00 177.39 176.67 3gag h GLU 34 N 0.00 -0.13 -0.94 3.23 4.81 -1.49 -1.22 114.58 118.83 3gag h GLU 34 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gag h GLU 34 Cb 0.00 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3gag h GLU 34 CO 0.00 0.15 0.59 0.45 -0.73 0.00 0.00 179.01 179.46 3gag h HIS 35 N -0.41 1.23 -0.56 0.92 3.86 -1.46 -2.41 115.15 116.32 3gag h HIS 35 Ca -0.01 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gag h HIS 35 Cb 0.34 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3gag h HIS 35 CO 0.02 0.80 0.36 0.00 0.86 0.00 0.00 177.93 179.97 3gag h ALA 36 N 1.35 1.59 0.00 2.45 0.00 -1.76 -2.17 119.26 120.73 3gag h ALA 36 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gag h ALA 36 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3gag h ALA 36 CO -0.07 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 3gag n SER 37 N -4.45 0.41 0.00 0.00 3.41 -0.48 -1.65 113.62 110.87 3gag n SER 37 Ca 0.05 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 3gag n SER 37 Cb 0.05 -0.71 0.50 0.00 -0.26 0.00 0.00 64.21 63.79 3gag n SER 37 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gag n TYR 38 N -1.99 0.00 -1.67 7.33 4.01 -0.82 -4.79 117.16 119.24 3gag n TYR 38 Ca 0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 3gag n TYR 38 Cb 0.14 -0.16 0.06 0.00 -0.31 0.00 0.00 39.34 39.07 3gag n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gag n ALA 39 N -1.16 0.66 -1.72 -0.72 0.00 -0.66 -4.99 120.51 111.92 3gag n ALA 39 Ca 0.11 -0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 3gag n ALA 39 Cb 0.11 -2.22 0.02 0.00 0.00 0.00 0.00 19.45 17.36 3gag n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gag s PRO 40 N -3.08 3.32 0.02 0.00 0.04 -1.26 -4.96 135.00 129.08 3gag s PRO 40 Ca 0.80 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 3gag s PRO 40 Cb -0.40 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.15 3gag s PRO 40 CO 0.43 -0.79 0.48 -1.54 0.04 0.00 0.00 177.00 175.62 3gag s SER 41 N -3.80 -0.40 0.02 6.66 1.04 -1.26 -4.70 113.70 111.26 3gag s SER 41 Ca 0.57 0.21 -0.32 0.00 0.48 0.00 0.00 55.95 56.89 3gag s SER 41 Cb -0.13 0.45 -0.11 0.00 0.10 0.00 0.00 66.02 66.34 3gag s SER 41 CO 0.51 -0.64 1.88 0.61 0.98 0.00 0.00 173.24 176.58 3gag n GLY 42 N 0.66 1.61 2.50 7.32 0.00 -1.26 -1.00 105.19 115.02 3gag n GLY 42 Ca -0.19 0.80 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 3gag n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gag n ASN 43 N 6.45 -5.23 -3.59 1.61 3.02 -1.26 -1.80 115.26 114.46 3gag n ASN 43 Ca 0.20 0.43 -0.27 0.00 -0.03 0.00 0.00 54.58 54.92 3gag n ASN 43 Cb 0.35 -4.61 0.03 0.00 -0.61 0.00 0.00 39.78 34.93 3gag n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gag n ASN 44 N -1.32 -5.06 0.24 6.41 5.15 -0.17 -4.89 115.26 115.62 3gag n ASN 44 Ca -0.20 -0.57 0.13 0.00 -0.60 0.00 0.00 54.58 53.34 3gag n ASN 44 Cb 0.65 -4.06 0.44 0.00 -0.53 0.00 0.00 39.78 36.28 3gag n ASN 44 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3gag h PHE 45 N -1.80 0.00 -6.33 1.20 0.04 -1.55 -3.48 116.94 105.03 3gag h PHE 45 Ca -0.54 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 59.77 3gag h PHE 45 Cb 1.36 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.55 3gag h PHE 45 CO 0.58 0.08 -0.93 1.04 -0.60 0.00 0.00 178.31 178.48 3gag n GLN 46 N -3.16 -1.74 0.00 1.51 6.02 -1.26 -4.81 117.38 113.93 3gag n GLN 46 Ca 0.02 0.42 0.09 0.00 -0.01 0.00 0.00 57.00 57.52 3gag n GLN 46 Cb 0.43 -4.14 0.52 0.00 1.02 0.00 0.00 30.24 28.07 3gag n GLN 46 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gag n PRO 47 N -4.30 0.89 -2.27 -1.09 -0.04 -1.26 -4.86 135.00 122.07 3gag n PRO 47 Ca -0.15 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 3gag n PRO 47 Cb 0.61 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 3gag n PRO 47 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3gag s TRP 48 N -2.00 3.06 -0.01 0.54 -2.14 -1.26 -0.99 118.94 116.14 3gag s TRP 48 Ca 0.26 1.54 0.01 0.00 2.66 0.00 0.00 56.10 60.58 3gag s TRP 48 Cb 0.12 -3.42 0.00 0.00 -3.10 0.00 0.00 33.47 27.07 3gag s TRP 48 CO 0.20 -1.38 -0.04 1.03 -2.66 0.00 0.00 176.95 174.11 3gag s ARG 49 N -2.25 0.38 -0.02 3.25 1.81 -0.19 -4.88 118.95 117.04 3gag s ARG 49 Ca 0.56 -0.12 0.03 0.00 -1.72 0.00 0.00 55.73 54.48 3gag s ARG 49 Cb -0.32 -0.39 -0.00 0.00 -0.45 0.00 0.00 34.95 33.79 3gag s ARG 49 CO 0.40 0.05 -0.12 0.08 -0.68 0.00 0.00 175.30 175.03 3gag s VAL 50 N 0.11 0.99 -0.14 3.52 1.01 -1.26 -0.51 120.40 124.12 3gag s VAL 50 Ca -0.01 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3gag s VAL 50 Cb -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.51 3gag s VAL 50 CO -0.00 0.29 -0.16 -0.69 0.00 0.00 0.00 175.10 174.54 3gag s VAL 51 N 0.00 1.66 -0.25 2.92 1.01 -0.64 -4.99 120.40 120.11 3gag s VAL 51 Ca -0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3gag s VAL 51 Cb -0.08 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3gag s VAL 51 CO 0.00 0.47 0.10 -0.69 0.00 0.00 0.00 175.10 174.99 3gag s VAL 52 N 1.22 4.63 -0.29 2.92 1.01 -1.26 -0.64 120.40 127.99 3gag s VAL 52 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 3gag s VAL 52 Cb -0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3gag s VAL 52 CO -0.07 0.32 0.15 -0.69 0.00 0.00 0.00 175.10 174.82 3gag s VAL 53 N 1.57 4.86 -0.52 2.92 1.01 0.20 -4.93 120.40 125.51 3gag s VAL 53 Ca 0.06 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.97 3gag s VAL 53 Cb -0.15 -3.37 0.18 0.00 0.00 0.00 0.00 36.38 33.04 3gag s VAL 53 CO 0.06 0.19 0.42 1.17 0.00 0.00 0.00 175.10 176.94 3gag n LYS 54 N 5.01 0.88 -3.23 2.72 4.81 -1.26 -1.13 118.16 125.96 3gag n LYS 54 Ca -0.14 -3.69 0.04 0.00 -0.87 0.00 0.00 58.31 53.64 3gag n LYS 54 Cb 0.51 -1.88 -0.02 0.00 0.02 0.00 0.00 35.03 33.65 3gag n LYS 54 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3gag s ASN 55 N -0.64 -0.65 0.41 3.14 3.84 -1.26 -5.07 114.94 114.71 3gag s ASN 55 Ca 0.31 0.55 0.08 0.00 0.21 0.00 0.00 52.86 54.01 3gag s ASN 55 Cb 0.02 1.60 0.85 0.00 -0.55 0.00 0.00 41.25 43.18 3gag s ASN 55 CO -0.18 -0.12 2.00 0.11 -2.79 0.00 0.00 177.10 176.12 3gag h LYS 56 N 7.84 0.38 -0.40 0.43 1.79 -1.95 -0.47 116.57 124.19 3gag h LYS 56 Ca -0.16 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.14 3gag h LYS 56 Cb 1.15 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 3gag h LYS 56 CO 0.02 0.35 -0.26 -0.97 -1.08 0.00 0.00 179.45 177.51 3gag h ASN 57 N 0.38 0.86 0.21 0.86 -1.24 -1.97 -0.09 115.58 114.60 3gag h ASN 57 Ca 0.09 -0.33 -0.10 0.00 0.71 0.00 0.00 56.30 56.67 3gag h ASN 57 Cb 0.12 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3gag h ASN 57 CO -0.01 1.07 -0.38 0.11 -1.29 0.00 0.00 177.43 176.94 3gag h LYS 58 N 0.72 0.23 -0.05 6.67 1.57 -1.78 -2.68 116.57 121.26 3gag h LYS 58 Ca 0.09 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 3gag h LYS 58 Cb 0.80 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3gag h LYS 58 CO 0.07 0.59 -0.70 1.96 -0.57 0.00 0.00 179.45 180.79 3gag h GLN 59 N 0.20 0.25 -0.62 3.15 4.20 -0.68 -1.23 115.11 120.38 3gag h GLN 59 Ca 0.02 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 3gag h GLN 59 Cb 0.77 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 3gag h GLN 59 CO 0.06 0.85 0.20 0.93 -0.67 0.00 0.00 178.83 180.20 3gag h GLU 60 N 0.17 0.95 -0.73 1.46 4.39 -0.92 0.14 114.58 120.05 3gag h GLU 60 Ca -0.02 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.49 3gag h GLU 60 Cb 1.26 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 3gag h GLU 60 CO 0.11 0.84 0.48 -0.44 -1.16 0.00 0.00 179.01 178.84 3gag h ASP 61 N 0.88 0.82 0.12 1.42 3.32 -1.30 -2.70 116.42 118.99 3gag h ASP 61 Ca 0.20 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3gag h ASP 61 Cb 0.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3gag h ASP 61 CO -0.01 0.59 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.74 3gag h LEU 62 N 0.97 0.28 -0.96 1.55 3.38 -0.80 -2.76 115.31 116.98 3gag h LEU 62 Ca 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3gag h LEU 62 Cb -0.10 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3gag h LEU 62 CO -0.06 0.58 0.37 0.50 0.09 0.00 0.00 178.44 179.91 3gag h LYS 63 N 0.25 1.12 0.00 1.13 3.64 -0.43 -1.36 116.57 120.92 3gag h LYS 63 Ca 0.04 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3gag h LYS 63 Cb 0.65 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3gag h LYS 63 CO 0.05 0.86 -0.06 0.87 -2.27 0.00 0.00 179.45 178.90 3gag h LYS 64 N 1.11 0.00 -0.10 1.90 1.57 -1.20 -0.21 116.57 119.64 3gag h LYS 64 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3gag h LYS 64 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3gag h LYS 64 CO -0.03 0.06 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 3gag n LEU 65 N -4.39 1.82 -2.07 2.94 4.77 -0.60 -4.25 117.00 115.21 3gag n LEU 65 Ca -0.03 -0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 55.08 3gag n LEU 65 Cb 0.14 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3gag n LEU 65 CO 0.34 0.34 0.16 0.00 -1.33 0.00 0.00 177.39 176.90 3gag n ALA 66 N 0.42 4.57 -2.05 -1.18 0.00 -0.23 -0.13 120.51 121.90 3gag n ALA 66 Ca 0.17 -3.60 -0.21 0.00 0.00 0.00 0.00 53.44 49.81 3gag n ALA 66 Cb 0.38 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 3gag n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gag n ALA 67 N -0.70 -0.49 -2.56 0.00 0.00 -1.22 -2.04 120.51 113.51 3gag n ALA 67 Ca 0.37 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.85 3gag n ALA 67 Cb 0.93 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3gag n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gag n LEU 68 N -2.73 -2.04 -4.68 0.00 4.77 -0.37 -4.94 117.00 107.01 3gag n LEU 68 Ca -0.23 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 3gag n LEU 68 Cb 0.69 -2.88 -0.03 0.00 -2.33 0.00 0.00 43.42 38.87 3gag n LEU 68 CO 0.30 -0.10 1.15 -1.10 -1.33 0.00 0.00 177.39 176.31 3gag s GLN 69 N -5.21 4.26 0.38 3.23 -0.21 -0.86 -4.90 119.66 116.35 3gag s GLN 69 Ca 0.07 1.94 0.12 0.00 0.02 0.00 0.00 55.36 57.51 3gag s GLN 69 Cb -0.03 -3.67 0.77 0.00 1.00 0.00 0.00 33.01 31.07 3gag s GLN 69 CO 0.09 -0.64 1.87 -1.00 -2.12 0.00 0.00 175.29 173.49 3gag h PRO 70 N 8.17 0.08 -0.05 2.91 0.13 -1.92 -2.85 132.00 138.48 3gag h PRO 70 Ca -0.36 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3gag h PRO 70 Cb 1.16 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3gag h PRO 70 CO 0.92 0.36 0.08 -0.56 -0.23 0.00 0.00 178.00 178.56 3gag h GLN 71 N 0.07 0.00 -0.43 0.86 -0.00 -1.91 -1.34 115.11 112.37 3gag h GLN 71 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.59 3gag h GLN 71 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.00 3gag h GLN 71 CO 0.04 0.00 -0.01 0.28 -0.00 0.00 0.00 178.83 179.14 3gag h VAL 72 N 0.00 1.23 0.00 1.86 2.07 -1.86 -2.18 116.25 117.37 3gag h VAL 72 Ca 0.02 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 3gag h VAL 72 Cb 0.17 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3gag h VAL 72 CO -0.00 0.33 -1.43 0.00 0.02 0.00 0.00 177.57 176.49 3gag n ALA 73 N -2.48 2.30 0.09 1.67 0.00 -0.53 -4.17 120.51 117.40 3gag n ALA 73 Ca 0.02 -0.47 0.09 0.00 0.00 0.00 0.00 53.44 53.08 3gag n ALA 73 Cb 0.29 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 3gag n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gag n THR 74 N -2.67 0.76 -1.69 0.00 -2.24 -1.08 -4.86 114.28 102.49 3gag n THR 74 Ca -0.06 -0.59 -0.37 0.00 -2.27 0.00 0.00 64.05 60.76 3gag n THR 74 Cb 0.70 -0.44 0.06 0.00 -2.10 0.00 0.00 70.33 68.55 3gag n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gag n ALA 75 N -2.23 0.85 0.19 6.98 0.00 -0.82 -3.67 120.51 121.80 3gag n ALA 75 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.47 3gag n ALA 75 Cb 0.62 -2.25 0.39 0.00 0.00 0.00 0.00 19.45 18.21 3gag n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gag h SER 76 N 0.61 0.00 -4.38 0.00 0.02 -1.31 -3.45 113.55 105.04 3gag h SER 76 Ca -0.50 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.46 3gag h SER 76 Cb 1.35 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.67 3gag h SER 76 CO 0.53 0.36 0.35 0.00 -1.14 0.00 0.00 176.83 176.92 3gag s ALA 77 N -4.11 -1.85 -0.28 3.77 0.00 -0.90 -4.61 121.76 113.78 3gag s ALA 77 Ca -0.02 1.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 3gag s ALA 77 Cb 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.75 3gag s ALA 77 CO 0.71 -0.33 -0.01 0.08 0.00 0.00 0.00 175.76 176.21 3gag s VAL 78 N -0.86 3.15 -0.21 0.00 1.01 -0.28 -0.88 120.40 122.33 3gag s VAL 78 Ca -0.05 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 3gag s VAL 78 Cb -0.01 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3gag s VAL 78 CO 0.04 0.05 0.72 -0.36 0.00 0.00 0.00 175.10 175.56 3gag s PHE 79 N 1.34 3.35 -0.27 5.22 0.40 -0.12 -0.63 117.98 127.26 3gag s PHE 79 Ca -0.01 1.03 -0.08 0.00 -0.60 0.00 0.00 56.93 57.27 3gag s PHE 79 Cb -0.18 -2.92 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 3gag s PHE 79 CO -0.02 -0.28 0.10 -0.51 0.70 0.00 0.00 175.22 175.22 3gag s LEU 80 N 2.31 3.67 -0.23 -0.37 1.43 0.18 0.13 118.68 125.80 3gag s LEU 80 Ca 0.32 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3gag s LEU 80 Cb -0.16 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3gag s LEU 80 CO 0.10 -0.08 0.09 -0.76 0.23 0.00 0.00 176.35 175.92 3gag s LEU 81 N 1.62 3.66 0.25 1.79 1.43 0.56 -1.61 118.68 126.37 3gag s LEU 81 Ca 0.06 -0.08 0.12 0.00 -1.03 0.00 0.00 54.13 53.19 3gag s LEU 81 Cb -0.16 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3gag s LEU 81 CO 0.05 0.03 -0.19 -0.36 0.23 0.00 0.00 176.35 176.10 3gag s PHE 82 N 1.25 2.34 -0.10 0.29 0.40 0.34 -0.63 117.98 121.87 3gag s PHE 82 Ca 0.05 -0.33 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 3gag s PHE 82 Cb -0.14 -1.06 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 3gag s PHE 82 CO 0.04 0.64 -0.09 0.20 0.70 0.00 0.00 175.22 176.71 3gag s GLY 83 N -3.23 1.64 -0.31 4.36 0.00 0.21 -1.03 107.32 108.97 3gag s GLY 83 Ca 0.27 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.99 3gag s GLY 83 CO 0.14 -0.43 0.20 -0.35 0.00 0.00 0.00 173.10 172.65 3gag s ASP 84 N -0.26 5.92 0.54 1.64 -1.08 -0.16 -0.48 116.67 122.79 3gag s ASP 84 Ca 0.03 -0.25 0.36 0.00 -0.52 0.00 0.00 52.55 52.17 3gag s ASP 84 Cb -0.13 -2.10 1.94 0.00 -1.46 0.00 0.00 42.92 41.18 3gag s ASP 84 CO 0.03 -0.14 2.11 -0.33 0.52 0.00 0.00 175.17 177.36 3gag h GLU 85 N 8.41 0.00 -0.02 4.34 5.08 -1.81 -0.30 114.58 130.28 3gag h GLU 85 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3gag h GLU 85 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gag h GLU 85 CO 0.59 0.00 -0.36 0.09 -1.00 0.00 0.00 179.01 178.33 3gag n ASN 86 N -2.80 2.18 0.25 1.42 3.02 -1.26 -4.36 115.26 113.70 3gag n ASN 86 Ca -0.02 -1.59 0.11 0.00 -0.03 0.00 0.00 54.58 53.06 3gag n ASN 86 Cb 0.08 0.36 0.66 0.00 -0.61 0.00 0.00 39.78 40.27 3gag n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gag h ALA 87 N 4.06 1.27 -0.27 5.41 0.00 -1.40 -3.28 119.26 125.03 3gag h ALA 87 Ca 0.00 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.17 3gag h ALA 87 Cb 0.79 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3gag h ALA 87 CO 0.00 0.19 2.35 0.66 0.00 0.00 0.00 179.25 182.44 3gag n TYR 88 N -3.66 2.02 -3.58 0.00 4.01 -1.26 -4.86 117.16 109.83 3gag n TYR 88 Ca -0.02 -2.63 -0.39 0.00 -0.16 0.00 0.00 57.90 54.70 3gag n TYR 88 Cb 0.27 -2.01 -0.11 0.00 -0.31 0.00 0.00 39.34 37.18 3gag n TYR 88 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gag s ASP 89 N 1.34 5.87 0.35 7.72 -1.08 -1.24 -5.00 116.67 124.63 3gag s ASP 89 Ca 0.63 -0.42 0.26 0.00 -0.52 0.00 0.00 52.55 52.50 3gag s ASP 89 Cb 0.23 -2.09 0.85 0.00 -1.46 0.00 0.00 42.92 40.44 3gag s ASP 89 CO -0.08 -0.20 1.76 -0.07 0.52 0.00 0.00 175.17 177.10 3gag h LEU 90 N 8.43 0.00 -0.03 -1.34 -0.00 -1.94 -1.97 115.31 118.46 3gag h LEU 90 Ca -0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.52 3gag h LEU 90 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 3gag h LEU 90 CO 0.62 0.00 -0.14 0.74 -0.00 0.00 0.00 178.44 179.66 3gag h THR 91 N 0.00 1.48 -0.54 0.22 2.02 -1.99 -2.49 112.91 111.61 3gag h THR 91 Ca 0.00 -1.61 0.07 0.00 0.77 0.00 0.00 66.41 65.64 3gag h THR 91 Cb 0.67 2.45 -0.06 0.00 -1.74 0.00 0.00 68.15 69.47 3gag h THR 91 CO 0.00 0.44 0.21 -0.25 0.37 0.00 0.00 175.52 176.29 3gag h TRP 92 N -0.43 0.37 -0.66 3.16 7.01 -1.94 -1.79 115.95 121.68 3gag h TRP 92 Ca -0.01 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.06 3gag h TRP 92 Cb 0.79 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.71 3gag h TRP 92 CO 0.14 0.13 0.39 2.35 -2.79 0.00 0.00 178.44 178.65 3gag h TRP 93 N 0.40 0.72 -0.08 2.65 7.01 -1.33 0.21 115.95 125.53 3gag h TRP 93 Ca 0.26 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 3gag h TRP 93 Cb 0.28 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 3gag h TRP 93 CO -0.15 0.38 -0.03 1.96 -2.79 0.00 0.00 178.44 177.81 3gag h GLN 94 N 0.74 0.17 -0.21 2.65 4.20 -1.26 -2.27 115.11 119.12 3gag h GLN 94 Ca 0.28 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.96 3gag h GLN 94 Cb 0.10 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3gag h GLN 94 CO -0.14 0.51 -0.04 0.93 -0.67 0.00 0.00 178.83 179.42 3gag h GLU 95 N -0.19 0.02 0.25 1.46 5.08 -0.95 -0.71 114.58 119.54 3gag h GLU 95 Ca 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3gag h GLU 95 Cb 0.45 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3gag h GLU 95 CO 0.01 0.01 -0.12 0.35 -1.00 0.00 0.00 179.01 178.26 3gag h PHE 96 N 0.02 -0.31 -0.20 4.33 3.57 -0.99 0.54 116.94 123.89 3gag h PHE 96 Ca 0.10 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 3gag h PHE 96 Cb 0.15 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3gag h PHE 96 CO -0.22 -0.18 -0.33 0.45 -2.23 0.00 0.00 178.31 175.81 3gag h HIS 97 N -0.36 0.47 -0.07 0.41 3.86 -1.28 -1.82 115.15 116.36 3gag h HIS 97 Ca -0.03 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 3gag h HIS 97 Cb 0.27 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3gag h HIS 97 CO -0.05 0.70 -0.15 0.28 0.86 0.00 0.00 177.93 179.56 3gag h VAL 98 N 0.36 1.42 -0.62 2.45 2.07 -1.07 -1.07 116.25 119.78 3gag h VAL 98 Ca 0.04 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.17 3gag h VAL 98 Cb 0.75 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 3gag h VAL 98 CO 0.06 0.41 0.41 1.56 0.02 0.00 0.00 177.57 180.03 3gag h GLN 99 N -0.27 0.51 -0.04 1.57 7.50 -0.78 -1.25 115.11 122.36 3gag h GLN 99 Ca 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3gag h GLN 99 Cb 0.74 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.16 3gag h GLN 99 CO 0.03 0.34 0.00 1.63 -1.50 0.00 0.00 178.83 179.33 3gag n LYS 100 N -4.48 1.30 -1.63 1.46 4.76 -0.70 -4.91 118.16 113.97 3gag n LYS 100 Ca 0.10 -0.45 -0.10 0.00 -2.87 0.00 0.00 58.31 54.99 3gag n LYS 100 Cb 0.30 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 3gag n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gag n GLY 101 N 1.00 0.68 0.12 0.72 0.00 -0.47 -4.93 105.19 102.31 3gag n GLY 101 Ca 0.18 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 3gag n GLY 101 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gag h ILE 102 N 0.00 1.21 -3.58 -0.61 2.04 -1.40 -3.48 117.51 111.68 3gag h ILE 102 Ca -0.21 -2.80 -0.07 0.00 1.00 0.00 0.00 64.86 62.78 3gag h ILE 102 Cb 0.84 2.83 -0.14 0.00 -0.74 0.00 0.00 36.82 39.61 3gag h ILE 102 CO 0.28 0.84 -0.24 0.27 0.00 0.00 0.00 178.15 179.30 3gag s ILE 103 N -2.62 0.11 0.77 -0.67 -4.36 -1.20 -5.04 121.20 108.19 3gag s ILE 103 Ca -0.09 -0.88 -0.12 0.00 -0.26 0.00 0.00 60.65 59.30 3gag s ILE 103 Cb 0.06 -1.22 0.05 0.00 1.25 0.00 0.00 42.46 42.61 3gag s ILE 103 CO 0.87 -0.49 1.12 0.42 0.24 0.00 0.00 174.94 177.11 3gag s THR 104 N -3.67 2.89 0.19 8.37 -4.23 -1.26 -4.11 115.64 113.82 3gag s THR 104 Ca 0.03 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.71 3gag s THR 104 Cb 0.03 -3.22 0.11 0.00 1.34 0.00 0.00 72.50 70.76 3gag s THR 104 CO -0.10 -0.38 1.84 0.50 -0.54 0.00 0.00 174.62 175.94 3gag h LYS 105 N -0.91 0.75 -0.30 3.99 1.63 -1.95 0.71 116.57 120.49 3gag h LYS 105 Ca -0.46 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.28 3gag h LYS 105 Cb 1.28 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3gag h LYS 105 CO 0.63 0.50 0.15 -0.44 -3.45 0.00 0.00 179.45 176.84 3gag h ASP 106 N 0.77 0.39 -0.62 4.20 5.19 -2.00 -1.53 116.42 122.83 3gag h ASP 106 Ca 0.24 -0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 3gag h ASP 106 Cb -0.01 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.37 3gag h ASP 106 CO -0.09 0.39 0.18 -0.33 -3.12 0.00 0.00 179.24 176.27 3gag h GLU 107 N 0.35 1.00 -0.53 3.56 3.07 -1.86 -2.51 114.58 117.66 3gag h GLU 107 Ca 0.10 -0.21 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 3gag h GLU 107 Cb 0.11 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3gag h GLU 107 CO -0.01 0.88 -0.03 0.00 -1.40 0.00 0.00 179.01 178.45 3gag h ALA 108 N 1.23 0.95 -0.46 3.43 0.00 -0.69 -1.45 119.26 122.26 3gag h ALA 108 Ca 0.21 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3gag h ALA 108 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gag h ALA 108 CO -0.00 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.73 3gag h ALA 109 N 1.11 0.86 -0.31 0.00 0.00 -0.97 -1.22 119.26 118.73 3gag h ALA 109 Ca 0.15 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3gag h ALA 109 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gag h ALA 109 CO 0.03 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.66 3gag h ALA 110 N 1.04 0.44 -0.52 0.00 0.00 -1.27 -2.78 119.26 116.17 3gag h ALA 110 Ca 0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3gag h ALA 110 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3gag h ALA 110 CO 0.05 0.44 -0.02 0.00 0.00 0.00 0.00 179.25 179.71 3gag h ARG 111 N 0.47 0.90 -0.72 0.00 -0.00 -1.20 -2.83 114.38 111.00 3gag h ARG 111 Ca 0.05 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.98 59.23 3gag h ARG 111 Cb 0.82 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.67 3gag h ARG 111 CO 0.07 0.90 0.31 0.00 0.00 0.00 0.00 179.97 181.25 3gag h ALA 112 N 1.15 1.20 -0.35 0.04 0.00 -1.10 -0.83 119.26 119.37 3gag h ALA 112 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3gag h ALA 112 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gag h ALA 112 CO 0.03 0.59 -0.14 1.49 0.00 0.00 0.00 179.25 181.22 3gag h GLU 113 N 1.03 0.62 -0.50 0.00 4.57 -1.26 -0.67 114.58 118.36 3gag h GLU 113 Ca 0.25 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 3gag h GLU 113 Cb 0.15 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3gag h GLU 113 CO -0.03 0.74 -0.08 0.00 -1.18 0.00 0.00 179.01 178.46 3gag h ARG 114 N 0.56 0.94 -0.70 1.92 3.08 -1.17 -1.22 114.38 117.79 3gag h ARG 114 Ca 0.10 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 3gag h ARG 114 Cb 0.56 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3gag h ARG 114 CO 0.04 1.00 0.33 0.82 -1.07 0.00 0.00 179.97 181.09 3gag h ILE 115 N 0.80 1.23 -0.50 2.04 2.04 -0.95 -0.47 117.51 121.71 3gag h ILE 115 Ca 0.13 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.34 3gag h ILE 115 Cb 0.63 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3gag h ILE 115 CO 0.04 0.28 0.31 0.03 0.00 0.00 0.00 178.15 178.81 3gag h ARG 116 N 0.98 0.61 -0.53 2.37 3.08 -0.85 -0.79 114.38 119.26 3gag h ARG 116 Ca 0.24 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 3gag h ARG 116 Cb 0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3gag h ARG 116 CO -0.03 0.41 0.09 1.96 -1.07 0.00 0.00 179.97 181.32 3gag h GLN 117 N 0.63 0.84 0.09 0.04 4.20 -0.88 0.47 115.11 120.50 3gag h GLN 117 Ca 0.19 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gag h GLN 117 Cb -0.03 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3gag h GLN 117 CO -0.07 0.78 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.91 3gag h TYR 118 N 0.80 -0.12 -0.13 2.96 3.20 -0.60 -2.87 116.97 120.21 3gag h TYR 118 Ca 0.17 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3gag h TYR 118 Cb 0.35 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3gag h TYR 118 CO 0.02 0.00 -0.11 0.74 -1.64 0.00 0.00 178.16 177.17 3gag h PHE 119 N -0.21 0.21 -0.86 -3.82 0.04 -0.89 0.63 116.94 112.04 3gag h PHE 119 Ca -0.01 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.82 3gag h PHE 119 Cb 0.17 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 3gag h PHE 119 CO -0.04 0.32 0.52 -0.44 -0.60 0.00 0.00 178.31 178.06 3gag h ASP 120 N 0.20 0.78 1.13 2.17 3.32 -0.77 -2.10 116.42 121.16 3gag h ASP 120 Ca 0.04 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3gag h ASP 120 Cb 0.32 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3gag h ASP 120 CO 0.02 0.47 -0.89 -0.07 -1.72 0.00 0.00 179.24 177.05 3gag h LEU 121 N 0.90 0.00 -5.89 1.55 3.38 -1.19 -3.39 115.31 110.67 3gag h LEU 121 Ca 0.39 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.80 3gag h LEU 121 Cb 0.27 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.62 3gag h LEU 121 CO -0.21 0.77 -0.88 1.41 0.09 0.00 0.00 178.44 179.62 3gag n HIS 122 N -3.24 1.88 0.27 1.13 8.25 0.16 -4.93 115.22 118.73 3gag n HIS 122 Ca -0.01 -3.88 0.11 0.00 -0.26 0.00 0.00 57.72 53.67 3gag n HIS 122 Cb 0.86 -0.46 0.73 0.00 1.12 0.00 0.00 29.99 32.24 3gag n HIS 122 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gag h PRO 123 N 3.58 0.00 0.00 -0.41 0.13 -1.60 -2.14 132.00 131.56 3gag h PRO 123 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 3gag h PRO 123 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3gag h PRO 123 CO 0.66 0.04 -0.08 1.05 -0.23 0.00 0.00 178.00 179.44 3gag h GLU 124 N 0.00 0.00 0.00 0.86 9.09 -1.92 -1.88 114.58 120.74 3gag h GLU 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gag h GLU 124 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 3gag h GLU 124 CO 0.00 0.08 0.00 -0.25 0.05 0.00 0.00 179.01 178.89 3gag n ASP 125 N -3.78 0.00 -0.69 3.06 8.00 -0.80 -1.50 116.55 120.84 3gag n ASP 125 Ca -0.02 0.30 0.09 0.00 0.71 0.00 0.00 54.79 55.87 3gag n ASP 125 Cb 0.18 -0.42 0.22 0.00 -0.02 0.00 0.00 41.12 41.08 3gag n ASP 125 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3gag n LYS 126 N -1.42 2.60 -0.04 -1.24 2.85 -0.71 -4.29 118.16 115.90 3gag n LYS 126 Ca 0.07 -2.71 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 3gag n LYS 126 Cb 0.23 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 3gag n LYS 126 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3gag n GLU 127 N -0.63 2.61 -0.24 -1.58 1.02 -0.83 -4.91 120.64 116.09 3gag n GLU 127 Ca 0.19 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.41 3gag n GLU 127 Cb 0.80 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.56 3gag n GLU 127 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3gag h THR 128 N 0.02 0.96 -0.50 2.62 2.02 -1.92 -1.72 112.91 114.39 3gag h THR 128 Ca 0.00 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3gag h THR 128 Cb 0.00 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 3gag h THR 128 CO 0.00 0.14 0.24 1.56 0.37 0.00 0.00 175.52 177.83 3gag h GLN 129 N 0.79 0.72 -0.70 6.66 4.20 -1.94 0.82 115.11 125.65 3gag h GLN 129 Ca 0.38 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3gag h GLN 129 Cb 0.42 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3gag h GLN 129 CO -0.15 0.60 0.46 0.78 -0.67 0.00 0.00 178.83 179.85 3gag h GLY 130 N 0.66 1.00 1.07 3.46 0.00 -0.54 -2.45 103.07 106.26 3gag h GLY 130 Ca 0.17 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 3gag h GLY 130 CO -0.02 0.37 -0.05 1.41 0.00 0.00 0.00 176.54 178.25 3gag h LEU 131 N 0.96 0.99 -0.74 3.11 3.38 -0.89 -1.34 115.31 120.77 3gag h LEU 131 Ca 0.26 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3gag h LEU 131 Cb -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 3gag h LEU 131 CO -0.05 1.09 0.38 0.03 0.09 0.00 0.00 178.44 179.97 3gag h ARG 132 N 0.88 1.06 -0.04 1.13 2.47 -0.62 0.39 114.38 119.65 3gag h ARG 132 Ca 0.15 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3gag h ARG 132 Cb 0.61 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3gag h ARG 132 CO 0.04 0.81 -0.02 1.25 0.56 0.00 0.00 179.97 182.60 3gag h LEU 133 N 1.04 0.09 -0.19 3.04 5.85 -1.26 -1.23 115.31 122.64 3gag h LEU 133 Ca 0.26 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3gag h LEU 133 Cb 0.08 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3gag h LEU 133 CO -0.04 0.51 0.09 0.44 -0.34 0.00 0.00 178.44 179.10 3gag h ASP 134 N -0.33 0.25 0.76 1.25 3.32 -1.15 -1.17 116.42 119.35 3gag h ASP 134 Ca 0.01 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 3gag h ASP 134 Cb 0.48 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3gag h ASP 134 CO 0.01 0.31 -0.41 0.58 -1.72 0.00 0.00 179.24 178.01 3gag h VAL 135 N 0.18 0.99 -0.42 -1.35 2.07 -1.02 -2.53 116.25 114.16 3gag h VAL 135 Ca 0.07 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 3gag h VAL 135 Cb 0.12 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3gag h VAL 135 CO -0.01 0.40 0.11 1.23 0.02 0.00 0.00 177.57 179.32 3gag h GLY 136 N 1.92 0.73 0.74 2.17 0.00 -0.87 0.12 103.07 107.87 3gag h GLY 136 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.90 3gag h GLY 136 CO 0.05 0.42 -0.04 1.41 0.00 0.00 0.00 176.54 178.38 3gag h LEU 137 N 0.55 -0.15 -0.60 3.11 3.38 -0.95 -2.70 115.31 117.95 3gag h LEU 137 Ca 0.13 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.24 3gag h LEU 137 Cb 0.30 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3gag h LEU 137 CO 0.00 -0.06 0.22 0.15 0.09 0.00 0.00 178.44 178.84 3gag h PHE 138 N -0.03 0.37 0.00 1.13 3.04 -1.20 -2.28 116.94 117.98 3gag h PHE 138 Ca 0.06 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3gag h PHE 138 Cb 0.12 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.55 3gag h PHE 138 CO -0.17 0.09 0.00 0.00 -2.02 0.00 0.00 178.31 176.21 3gag n ALA 139 N -2.48 1.41 0.00 2.41 0.00 0.39 -0.45 120.51 121.79 3gag n ALA 139 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3gag n ALA 139 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3gag n ALA 139 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gag n ASN 141 N 0.66 0.00 -1.14 0.00 5.15 -0.86 -4.70 115.26 114.37 3gag n ASN 141 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3gag n ASN 141 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 3gag n ASN 141 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3gag n LEU 142 N 0.00 0.00 0.00 1.20 7.94 0.40 -0.85 117.00 125.69 3gag n LEU 142 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3gag n LEU 142 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3gag n LEU 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3gag n GLN 144 N 0.99 0.00 -0.31 1.96 1.13 -1.26 -1.26 117.38 118.63 3gag n GLN 144 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3gag n GLN 144 Cb 0.00 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.43 3gag n GLN 144 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gag h VAL 145 N 0.00 1.25 -0.19 5.09 2.07 -1.39 -2.48 116.25 120.60 3gag h VAL 145 Ca 0.00 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3gag h VAL 145 Cb 0.00 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3gag h VAL 145 CO 0.00 0.29 0.02 -0.37 0.02 0.00 0.00 177.57 177.53 3gag h VAL 146 N 1.19 1.11 -0.01 2.57 -1.51 -1.45 -1.66 116.25 116.50 3gag h VAL 146 Ca 0.30 -0.42 -0.05 0.00 -1.23 0.00 0.00 66.70 65.29 3gag h VAL 146 Cb 0.07 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 3gag h VAL 146 CO -0.04 0.14 -0.25 0.03 -1.23 0.00 0.00 177.57 176.22 3gag h ARG 147 N 0.27 0.02 -0.80 5.19 3.08 -1.47 -2.60 114.38 118.07 3gag h ARG 147 Ca 0.07 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.24 3gag h ARG 147 Cb 0.16 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 3gag h ARG 147 CO 0.00 0.26 0.52 0.28 -1.07 0.00 0.00 179.97 179.97 3gag h VAL 148 N 0.01 0.85 -0.06 2.04 2.07 -1.27 -2.17 116.25 117.73 3gag h VAL 148 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gag h VAL 148 Cb 0.45 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3gag h VAL 148 CO 0.03 0.11 0.00 -1.22 0.02 0.00 0.00 177.57 176.51 3gag n TYR 149 N -4.51 0.07 0.00 1.57 4.01 -1.01 -4.92 117.16 112.37 3gag n TYR 149 Ca 0.15 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3gag n TYR 149 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 3gag n TYR 149 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gag n GLY 150 N 1.16 0.58 4.00 2.72 0.00 -0.81 -5.08 105.19 107.75 3gag n GLY 150 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3gag n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gag s TYR 151 N -2.00 2.89 0.28 1.61 1.51 -1.05 -4.73 117.35 115.86 3gag s TYR 151 Ca 0.00 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 3gag s TYR 151 Cb 0.00 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 3gag s TYR 151 CO 0.00 -0.46 0.18 -0.51 -1.11 0.00 0.00 175.55 173.65 3gag s ASP 152 N -4.33 1.14 0.28 2.29 1.01 0.71 -3.44 116.67 114.33 3gag s ASP 152 Ca 0.54 -1.56 -0.12 0.00 0.71 0.00 0.00 52.55 52.12 3gag s ASP 152 Cb -0.10 0.42 0.01 0.00 1.01 0.00 0.00 42.92 44.26 3gag s ASP 152 CO 0.34 -0.92 0.53 -0.94 0.21 0.00 0.00 175.17 174.40 3gag s SER 153 N -3.31 0.09 -0.06 0.27 1.04 -1.26 -1.29 113.70 109.19 3gag s SER 153 Ca 0.38 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 3gag s SER 153 Cb 0.05 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.85 3gag s SER 153 CO 0.18 -1.25 0.10 0.54 0.98 0.00 0.00 173.24 173.80 3gag s VAL 154 N -3.65 -0.16 1.00 5.02 0.11 -1.11 -1.44 120.40 120.16 3gag s VAL 154 Ca 0.22 0.36 -0.15 0.00 -2.93 0.00 0.00 61.98 59.48 3gag s VAL 154 Cb -0.02 -0.21 0.19 0.00 -1.53 0.00 0.00 36.38 34.82 3gag s VAL 154 CO 0.11 0.15 1.20 -2.16 -3.33 0.00 0.00 175.10 171.07 3gag s PRO 155 N 2.02 0.41 0.00 1.54 0.04 -1.26 -3.80 135.00 133.96 3gag s PRO 155 Ca 0.02 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 60.99 3gag s PRO 155 Cb -0.12 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3gag s PRO 155 CO -0.04 -2.62 0.00 0.54 0.04 0.00 0.00 177.00 174.92 3gag n ARG 157 N -3.99 0.00 -1.19 4.56 1.74 -1.26 -5.02 116.66 111.50 3gag n ARG 157 Ca 0.11 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.85 3gag n ARG 157 Cb 0.59 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.01 3gag n ARG 157 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gag n GLY 158 N 0.00 3.84 3.24 -0.13 0.00 -1.26 -4.79 105.19 106.09 3gag n GLY 158 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 3gag n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gag s VAL 159 N 2.85 0.10 -1.08 1.61 -7.23 -1.26 -4.33 120.40 111.06 3gag s VAL 159 Ca 0.57 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 3gag s VAL 159 Cb 0.15 -1.86 0.19 0.00 0.56 0.00 0.00 36.38 35.42 3gag s VAL 159 CO -0.04 -0.43 1.22 -0.62 -0.31 0.00 0.00 175.10 174.91 3gag s ASP 160 N -2.99 6.99 0.45 4.85 -1.08 0.82 -4.86 116.67 120.84 3gag s ASP 160 Ca 0.18 -2.87 0.15 0.00 -0.52 0.00 0.00 52.55 49.50 3gag s ASP 160 Cb 0.05 -2.34 1.01 0.00 -1.46 0.00 0.00 42.92 40.18 3gag s ASP 160 CO -0.01 -0.70 1.98 -0.26 0.52 0.00 0.00 175.17 176.70 3gag h PHE 161 N 7.52 0.00 -0.41 -5.34 0.04 -1.91 -0.68 116.94 116.15 3gag h PHE 161 Ca 0.23 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 3gag h PHE 161 Cb 0.93 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 3gag h PHE 161 CO 1.04 0.19 0.16 -0.44 -0.60 0.00 0.00 178.31 178.66 3gag h ASP 162 N 0.00 0.57 -0.02 2.17 3.32 -1.98 -1.14 116.42 119.33 3gag h ASP 162 Ca -0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 3gag h ASP 162 Cb 0.35 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3gag h ASP 162 CO 0.03 0.58 -0.29 0.00 -1.72 0.00 0.00 179.24 177.83 3gag h ALA 163 N 1.01 1.06 -0.35 3.45 0.00 -1.77 -2.68 119.26 119.97 3gag h ALA 163 Ca 0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3gag h ALA 163 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gag h ALA 163 CO -0.01 0.58 0.05 0.82 0.00 0.00 0.00 179.25 180.68 3gag h ILE 164 N 0.41 1.24 -0.45 0.00 2.04 -0.79 0.16 117.51 120.12 3gag h ILE 164 Ca 0.05 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.08 3gag h ILE 164 Cb 0.72 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3gag h ILE 164 CO 0.06 0.29 0.27 0.11 0.00 0.00 0.00 178.15 178.87 3gag h LYS 165 N 0.41 0.52 -0.60 2.37 1.57 -1.17 -0.81 116.57 118.86 3gag h LYS 165 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3gag h LYS 165 Cb 0.37 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3gag h LYS 165 CO 0.01 0.34 0.32 1.15 -0.57 0.00 0.00 179.45 180.70 3gag h THR 166 N 0.53 1.20 -0.91 -0.16 2.02 -1.33 0.17 112.91 114.44 3gag h THR 166 Ca 0.18 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3gag h THR 166 Cb 0.01 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3gag h THR 166 CO -0.08 0.22 0.59 0.22 0.37 0.00 0.00 175.52 176.84 3gag h TYR 167 N 0.82 1.16 -0.40 3.16 3.20 -0.53 -2.85 116.97 121.53 3gag h TYR 167 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3gag h TYR 167 Cb 0.07 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.95 3gag h TYR 167 CO -0.01 0.75 0.00 1.28 -1.64 0.00 0.00 178.16 178.54 3gag n LEU 168 N -4.43 3.13 -1.99 2.82 4.77 -0.35 -5.10 117.00 115.86 3gag n LEU 168 Ca 0.10 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 3gag n LEU 168 Cb 0.03 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3gag n LEU 168 CO 0.37 0.70 -0.26 -0.90 -1.33 0.00 0.00 177.39 175.97 3gag n ASP 169 N 1.26 -4.91 -4.88 -1.43 5.75 0.59 -5.04 116.55 107.89 3gag n ASP 169 Ca 0.19 1.33 -0.36 0.00 -0.01 0.00 0.00 54.79 55.94 3gag n ASP 169 Cb 0.54 -3.46 -0.06 0.00 -1.03 0.00 0.00 41.12 37.12 3gag n ASP 169 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 3gag s PRO 171 N -0.30 3.57 0.55 0.11 0.02 -1.26 -5.05 135.00 132.64 3gag s PRO 171 Ca 0.00 -0.03 0.31 0.00 0.02 0.00 0.00 61.00 61.30 3gag s PRO 171 Cb 0.00 -3.15 1.56 0.00 0.02 0.00 0.00 34.50 32.93 3gag s PRO 171 CO 0.00 0.71 2.09 -2.95 -0.33 0.00 0.00 177.00 176.53 3gag h ASN 172 N 4.52 0.00 0.05 2.53 -1.07 -2.03 -2.75 115.58 116.83 3gag h ASN 172 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.85 3gag h ASN 172 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 3gag h ASN 172 CO 0.62 0.09 -0.01 0.61 0.07 0.00 0.00 177.43 178.80 3gag n GLY 173 N -0.57 -0.66 3.59 9.14 0.00 -1.26 -4.70 105.19 110.73 3gag n GLY 173 Ca -0.01 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3gag n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gag s TRP 174 N -2.07 3.23 -0.17 1.61 0.52 -1.04 -2.42 118.94 118.60 3gag s TRP 174 Ca 0.42 0.28 -0.19 0.00 0.02 0.00 0.00 56.10 56.63 3gag s TRP 174 Cb 0.21 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 3gag s TRP 174 CO 0.37 -0.29 0.51 -1.21 0.02 0.00 0.00 176.95 176.35 3gag s GLU 175 N 2.06 4.24 0.14 4.98 2.02 0.37 -4.90 118.70 127.62 3gag s GLU 175 Ca 0.14 0.44 -0.31 0.00 0.02 0.00 0.00 54.97 55.27 3gag s GLU 175 Cb -0.16 -3.52 -0.08 0.00 0.10 0.00 0.00 34.13 30.47 3gag s GLU 175 CO 0.11 -0.05 1.29 -1.25 0.02 0.00 0.00 175.26 175.37 3gag s PRO 176 N 1.32 4.39 -0.10 0.39 0.04 -1.26 -0.62 135.00 139.16 3gag s PRO 176 Ca 0.25 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 3gag s PRO 176 Cb -0.15 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 3gag s PRO 176 CO 0.10 -0.28 -0.15 -0.89 0.04 0.00 0.00 177.00 175.81 3gag n ILE 177 N 3.32 0.78 -1.47 0.56 2.08 0.20 -4.88 119.36 119.95 3gag n ILE 177 Ca 0.08 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.30 3gag n ILE 177 Cb 0.44 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 3gag n ILE 177 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3gag n LEU 178 N -3.61 0.00 0.00 1.39 7.94 -0.96 -4.88 117.00 116.89 3gag n LEU 178 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 3gag n LEU 178 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 3gag n LEU 178 CO 0.03 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.20 3gag n LEU 180 N 0.00 0.00 -4.73 -1.96 7.94 0.12 -0.33 117.00 118.04 3gag n LEU 180 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3gag n LEU 180 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3gag n LEU 180 CO 0.00 0.00 1.16 -2.84 -1.11 0.00 0.00 177.39 174.60 3gag s PRO 181 N 0.00 4.24 -0.05 1.96 0.02 -1.25 -0.95 135.00 138.97 3gag s PRO 181 Ca 0.00 2.34 0.04 0.00 0.02 0.00 0.00 61.00 63.39 3gag s PRO 181 Cb 0.00 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3gag s PRO 181 CO 0.00 -0.51 -0.16 0.08 -0.33 0.00 0.00 177.00 176.08 3gag s VAL 182 N 0.47 1.39 0.07 3.83 1.01 -0.05 -2.76 120.40 124.35 3gag s VAL 182 Ca 0.64 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3gag s VAL 182 Cb -0.43 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 34.79 3gag s VAL 182 CO 0.39 0.41 0.70 0.61 0.00 0.00 0.00 175.10 177.20 3gag n GLY 183 N 3.34 0.68 3.64 4.51 0.00 -0.41 -0.98 105.19 115.97 3gag n GLY 183 Ca -0.19 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3gag n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gag s LYS 184 N -2.02 4.14 0.19 1.61 2.47 -1.26 -0.21 119.74 124.66 3gag s LYS 184 Ca 0.16 0.89 -0.32 0.00 -1.56 0.00 0.00 55.97 55.14 3gag s LYS 184 Cb -0.01 -3.66 -0.11 0.00 -1.46 0.00 0.00 37.83 32.59 3gag s LYS 184 CO 0.02 -0.57 1.62 0.00 0.16 0.00 0.00 175.35 176.58 3gag s ALA 185 N 2.90 3.83 -0.48 3.13 0.00 -1.26 -0.90 121.76 128.98 3gag s ALA 185 Ca 0.35 1.45 0.22 0.00 0.00 0.00 0.00 51.96 53.99 3gag s ALA 185 Cb -0.15 -3.65 -0.07 0.00 0.00 0.00 0.00 23.12 19.25 3gag s ALA 185 CO 0.09 -0.84 0.89 1.28 0.00 0.00 0.00 175.76 177.18 3gag n LEU 186 N 3.83 0.54 -3.75 0.00 4.77 -0.11 -4.78 117.00 117.50 3gag n LEU 186 Ca 0.14 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3gag n LEU 186 Cb 0.37 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.28 3gag n LEU 186 CO 0.62 0.03 -0.11 -1.58 -1.33 0.00 0.00 177.39 175.02 3gag s GLN 187 N -3.26 0.23 0.63 3.23 0.74 -1.23 -5.05 119.66 114.94 3gag s GLN 187 Ca 0.01 0.47 -0.18 0.00 0.05 0.00 0.00 55.36 55.71 3gag s GLN 187 Cb 0.14 -0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 3gag s GLN 187 CO 0.83 -0.12 1.25 0.00 -0.55 0.00 0.00 175.29 176.70 3gag s ALA 188 N 0.89 2.44 0.85 1.58 0.00 -1.26 -4.68 121.76 121.58 3gag s ALA 188 Ca -0.06 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 3gag s ALA 188 Cb -0.07 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.64 3gag s ALA 188 CO -0.06 -1.42 1.10 0.20 0.00 0.00 0.00 175.76 175.59 3gag s GLY 189 N -1.53 1.61 0.52 0.00 0.00 -1.26 -5.00 107.32 101.66 3gag s GLY 189 Ca 0.80 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 45.16 3gag s GLY 189 CO 0.37 0.25 0.95 -1.31 0.00 0.00 0.00 173.10 173.36 3gag s ASN 190 N -3.78 6.52 0.73 1.64 0.01 -1.26 -5.02 114.94 113.77 3gag s ASN 190 Ca 0.62 1.45 -0.16 0.00 -0.71 0.00 0.00 52.86 54.06 3gag s ASN 190 Cb -0.15 -2.46 0.02 0.00 0.41 0.00 0.00 41.25 39.06 3gag s ASN 190 CO 0.55 -0.61 1.10 -2.65 -1.51 0.00 0.00 177.10 173.97 3gag n PRO 191 N -1.78 0.55 -2.34 -0.60 -0.02 -1.26 -4.88 135.00 124.67 3gag n PRO 191 Ca 0.06 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 3gag n PRO 191 Cb 0.54 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3gag n PRO 191 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3gag s HIS 192 N -1.80 3.21 -0.18 6.00 3.76 -1.26 -5.01 115.29 120.01 3gag s HIS 192 Ca 0.75 1.11 -0.00 0.00 -0.15 0.00 0.00 55.06 56.76 3gag s HIS 192 Cb -0.34 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 29.83 3gag s HIS 192 CO 0.48 -1.76 -0.14 0.08 -0.85 0.00 0.00 174.74 172.55 3gag s VAL 193 N 1.62 2.62 0.05 -0.90 1.01 -1.26 -5.12 120.40 118.42 3gag s VAL 193 Ca 0.60 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3gag s VAL 193 Cb -0.30 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3gag s VAL 193 CO 0.27 0.50 0.10 -0.13 0.00 0.00 0.00 175.10 175.84 3gag s ARG 194 N 1.16 0.67 0.52 2.72 1.81 -1.26 -5.14 118.95 119.43 3gag s ARG 194 Ca 0.01 -0.91 -0.22 0.00 -1.72 0.00 0.00 55.73 52.90 3gag s ARG 194 Cb -0.14 0.26 -0.06 0.00 -0.45 0.00 0.00 34.95 34.56 3gag s ARG 194 CO -0.06 -0.17 1.25 0.15 -0.68 0.00 0.00 175.30 175.79 3gag s LYS 195 N -3.24 3.36 0.81 3.54 1.02 -1.26 -5.00 119.74 118.96 3gag s LYS 195 Ca 0.00 1.97 -0.11 0.00 0.02 0.00 0.00 55.97 57.86 3gag s LYS 195 Cb 0.03 -2.26 0.08 0.00 -0.52 0.00 0.00 37.83 35.16 3gag s LYS 195 CO -0.08 -0.94 1.09 -1.54 -0.92 0.00 0.00 175.35 172.97 3gag s SER 196 N -1.24 4.25 0.26 2.83 1.04 -1.26 -4.91 113.70 114.68 3gag s SER 196 Ca 0.69 1.63 -0.05 0.00 0.48 0.00 0.00 55.95 58.71 3gag s SER 196 Cb -0.34 -2.35 0.32 0.00 0.10 0.00 0.00 66.02 63.75 3gag s SER 196 CO 0.40 -2.16 1.92 0.58 0.98 0.00 0.00 173.24 174.95 3gag h VAL 197 N -1.22 1.24 0.00 5.02 2.07 -1.95 -1.34 116.25 120.07 3gag h VAL 197 Ca -0.46 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3gag h VAL 197 Cb 1.25 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3gag h VAL 197 CO 0.54 0.25 -0.04 0.00 0.02 0.00 0.00 177.57 178.33 3gag h ALA 198 N 1.38 1.14 0.00 1.67 0.00 -1.92 0.50 119.26 122.03 3gag h ALA 198 Ca 0.33 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3gag h ALA 198 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gag h ALA 198 CO -0.06 0.05 -0.69 0.93 0.00 0.00 0.00 179.25 179.47 3gag h GLU 199 N 0.00 0.00 0.00 0.00 5.08 -1.60 -3.40 114.58 114.66 3gag h GLU 199 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gag h GLU 199 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3gag h GLU 199 CO 0.01 0.38 0.00 1.97 -1.00 0.00 0.00 179.01 180.36 3gag n PHE 200 N -3.10 0.00 -4.37 4.33 1.16 -0.76 -5.01 117.46 109.71 3gag n PHE 200 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.36 3gag n PHE 200 Cb 0.73 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.47 3gag n PHE 200 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gag s ALA 201 N -0.79 1.34 -0.05 1.98 0.00 0.09 -5.10 121.76 119.23 3gag s ALA 201 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3gag s ALA 201 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3gag s ALA 201 CO 0.00 0.26 -0.17 -2.00 0.00 0.00 0.00 175.76 173.85 3gag s GLU 202 N -1.32 1.89 -0.19 0.00 2.12 -1.26 -4.60 118.70 115.34 3gag s GLU 202 Ca 0.02 -0.59 -0.04 0.00 0.36 0.00 0.00 54.97 54.73 3gag s GLU 202 Cb -0.09 -1.59 -0.02 0.00 0.26 0.00 0.00 34.13 32.70 3gag s GLU 202 CO 0.02 0.18 -0.04 0.42 -0.54 0.00 0.00 175.26 175.30 3gag s ILE 203 N 0.23 3.62 -0.24 -3.70 1.01 -1.26 -5.09 121.20 115.77 3gag s ILE 203 Ca -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 3gag s ILE 203 Cb -0.13 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3gag s ILE 203 CO 0.03 0.45 -0.03 -0.63 0.00 0.00 0.00 174.94 174.77 3gag s ILE 204 N 0.92 3.37 -0.65 2.92 1.01 -1.26 -5.30 121.20 122.22 3gag s ILE 204 Ca -0.00 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.07 3gag s ILE 204 Cb -0.15 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.77 3gag s ILE 204 CO 0.01 0.32 0.66 -0.62 0.00 0.00 0.00 174.94 175.32