#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 0.99 -0.62 1.20 3.32 -2.05 -0.24 116.42 119.02 3gag h ASP 4 Ca 0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 3gag h ASP 4 Cb 0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3gag h ASP 4 CO 0.00 1.13 0.13 1.88 -1.72 0.00 0.00 179.24 180.65 3gag h TYR 5 N 0.86 1.07 -0.38 4.55 0.05 -2.05 0.61 116.97 121.68 3gag h TYR 5 Ca 0.13 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3gag h TYR 5 Cb 0.71 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3gag h TYR 5 CO 0.05 0.91 -0.08 1.25 -1.05 0.00 0.00 178.16 179.23 3gag h LEU 6 N 0.93 0.73 -0.97 3.88 5.85 -1.96 -0.60 115.31 123.17 3gag h LEU 6 Ca 0.19 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3gag h LEU 6 Cb 0.39 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3gag h LEU 6 CO 0.01 0.92 0.45 0.78 -0.34 0.00 0.00 178.44 180.26 3gag h ASN 7 N 0.53 1.06 0.31 1.25 2.35 -0.89 -0.80 115.58 119.39 3gag h ASN 7 Ca 0.10 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3gag h ASN 7 Cb 0.59 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3gag h ASN 7 CO 0.04 0.86 -0.23 0.15 -1.65 0.00 0.00 177.43 176.59 3gag h PHE 8 N 1.18 -0.60 -0.74 1.19 3.57 -0.49 -2.10 116.94 118.95 3gag h PHE 8 Ca 0.30 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.86 3gag h PHE 8 Cb 0.04 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 3gag h PHE 8 CO 0.01 -0.35 0.43 -0.07 -2.23 0.00 0.00 178.31 176.10 3gag h LEU 9 N -0.54 0.64 -1.92 0.59 3.38 -0.82 -1.96 115.31 114.68 3gag h LEU 9 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gag h LEU 9 Cb 0.47 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gag h LEU 9 CO 0.00 0.40 -0.04 0.44 0.09 0.00 0.00 178.44 179.33 3gag h ASP 10 N 0.77 0.00 0.87 -0.43 3.32 -1.00 -2.77 116.42 117.17 3gag h ASP 10 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3gag h ASP 10 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3gag h ASP 10 CO -0.20 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 177.98 3gag n GLY 11 N -0.38 -1.33 3.66 2.75 0.00 -0.74 -4.72 105.19 104.42 3gag n GLY 11 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 4.18 0.07 1.61 3.52 -1.05 -4.99 118.95 119.22 3gag s ARG 12 Ca 0.10 1.90 -0.02 0.00 -0.13 0.00 0.00 55.73 57.58 3gag s ARG 12 Cb 0.13 -3.89 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 3gag s ARG 12 CO 0.43 -0.81 0.02 0.14 -0.81 0.00 0.00 175.30 174.27 3gag s VAL 13 N 3.86 0.19 0.04 7.11 -7.23 -1.26 -5.05 120.40 118.07 3gag s VAL 13 Ca 0.64 -1.72 -0.31 0.00 -1.81 0.00 0.00 61.98 58.78 3gag s VAL 13 Cb -0.27 -1.58 -0.06 0.00 0.56 0.00 0.00 36.38 35.03 3gag s VAL 13 CO 0.23 -0.85 1.33 -0.44 -0.31 0.00 0.00 175.10 175.05 3gag s SER 14 N -2.93 6.92 -0.14 4.85 0.01 -1.26 -4.60 113.70 116.55 3gag s SER 14 Ca 0.09 2.12 -0.00 0.00 1.31 0.00 0.00 55.95 59.48 3gag s SER 14 Cb 0.07 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3gag s SER 14 CO -0.08 -0.63 -0.13 -0.69 0.41 0.00 0.00 173.24 172.12 3gag s VAL 15 N 1.70 3.03 0.00 3.43 1.01 -0.60 -4.24 120.40 124.73 3gag s VAL 15 Ca 0.62 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3gag s VAL 15 Cb -0.32 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3gag s VAL 15 CO 0.28 0.52 0.40 0.54 0.00 0.00 0.00 175.10 176.83 3gag n ARG 16 N 3.65 0.49 -3.94 2.72 1.74 -1.26 -3.86 116.66 116.20 3gag n ARG 16 Ca -0.18 -0.40 -0.33 0.00 -0.77 0.00 0.00 57.85 56.17 3gag n ARG 16 Cb 0.52 -0.89 -0.14 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.18 2.01 0.20 5.56 3.00 -1.26 -4.06 118.95 124.20 3gag s ARG 17 Ca 0.00 -1.60 0.08 0.00 0.00 0.00 0.00 55.73 54.21 3gag s ARG 17 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 34.95 31.68 3gag s ARG 17 CO 0.00 -0.82 0.01 -0.06 0.00 0.00 0.00 175.30 174.44 3gag s PHE 18 N 1.09 2.84 -0.44 -0.53 0.08 -1.26 -0.75 117.98 119.00 3gag s PHE 18 Ca 0.02 -0.15 -0.27 0.00 0.12 0.00 0.00 56.93 56.66 3gag s PHE 18 Cb -0.20 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3gag s PHE 18 CO -0.05 0.54 0.98 0.34 -0.10 0.00 0.00 175.22 176.93 3gag s ASP 19 N -3.13 6.58 0.36 1.36 -1.08 -0.32 -4.75 116.67 115.69 3gag s ASP 19 Ca 0.28 0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.91 3gag s ASP 19 Cb -0.09 -2.48 1.23 0.00 -1.46 0.00 0.00 42.92 40.12 3gag s ASP 19 CO 0.19 -1.06 1.80 1.55 0.52 0.00 0.00 175.17 178.17 3gag h PRO 20 N 8.97 0.00 -0.00 4.34 0.13 -1.91 -1.51 132.00 142.01 3gag h PRO 20 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3gag h PRO 20 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3gag h PRO 20 CO 1.04 0.00 -0.58 -0.25 -0.23 0.00 0.00 178.00 177.99 3gag n ASP 21 N -2.45 0.96 -4.78 1.44 8.00 -1.26 -4.95 116.55 113.51 3gag n ASP 21 Ca 0.00 -0.76 -0.37 0.00 0.71 0.00 0.00 54.79 54.37 3gag n ASP 21 Cb 0.17 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.82 3.08 0.01 2.24 0.00 -0.57 -5.04 121.76 118.66 3gag s ALA 22 Ca 0.14 0.83 0.05 0.00 0.00 0.00 0.00 51.96 52.98 3gag s ALA 22 Cb 0.18 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3gag s ALA 22 CO 0.69 -0.40 -0.15 0.08 0.00 0.00 0.00 175.76 175.98 3gag s VAL 23 N -1.56 3.03 -0.35 0.00 1.01 -1.26 -4.58 120.40 116.70 3gag s VAL 23 Ca 0.59 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3gag s VAL 23 Cb -0.26 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 33.95 3gag s VAL 23 CO 0.32 0.41 0.07 -0.22 0.00 0.00 0.00 175.10 175.68 3gag s LEU 24 N -1.28 4.78 0.58 3.92 2.96 -1.26 -5.02 118.68 123.36 3gag s LEU 24 Ca 0.15 -2.09 -0.19 0.00 -0.22 0.00 0.00 54.13 51.78 3gag s LEU 24 Cb -0.11 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3gag s LEU 24 CO 0.05 -0.40 1.15 -2.16 -1.32 0.00 0.00 176.35 173.67 3gag s PRO 25 N 0.95 3.15 0.39 0.98 0.04 -1.26 -4.85 135.00 134.41 3gag s PRO 25 Ca 0.09 1.65 0.07 0.00 0.04 0.00 0.00 61.00 62.86 3gag s PRO 25 Cb -0.20 -1.97 0.83 0.00 0.04 0.00 0.00 34.50 33.20 3gag s PRO 25 CO -0.07 -1.02 2.01 -0.91 0.04 0.00 0.00 177.00 177.05 3gag h ASN 26 N 0.93 0.54 -0.70 6.66 4.21 -1.99 -1.97 115.58 123.26 3gag h ASN 26 Ca -0.50 -0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.02 3gag h ASN 26 Cb 1.27 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.31 3gag h ASN 26 CO 0.56 0.37 0.45 -2.24 -1.29 0.00 0.00 177.43 175.28 3gag h ASP 27 N 0.62 0.78 0.07 5.81 2.03 -2.00 -0.61 116.42 123.12 3gag h ASP 27 Ca 0.22 -0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 56.38 3gag h ASP 27 Cb 0.12 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.42 3gag h ASP 27 CO -0.06 0.55 -0.44 -0.07 -1.03 0.00 0.00 179.24 178.19 3gag h LEU 28 N 0.92 0.48 -0.55 0.15 3.38 -1.77 -2.21 115.31 115.71 3gag h LEU 28 Ca 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gag h LEU 28 Cb -0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3gag h LEU 28 CO -0.07 0.86 0.31 0.40 0.09 0.00 0.00 178.44 180.03 3gag h ILE 29 N 0.37 1.18 -0.44 1.22 2.04 -0.73 -2.80 117.51 118.34 3gag h ILE 29 Ca 0.03 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3gag h ILE 29 Cb 0.92 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3gag h ILE 29 CO 0.08 0.19 0.17 0.11 0.00 0.00 0.00 178.15 178.70 3gag h LYS 30 N 0.73 0.66 -0.75 2.37 1.57 -1.03 -1.05 116.57 119.07 3gag h LYS 30 Ca 0.19 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3gag h LYS 30 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3gag h LYS 30 CO -0.03 0.61 0.00 -0.25 -0.57 0.00 0.00 179.45 179.21 3gag n ASP 31 N -4.60 0.00 0.00 0.86 8.00 -0.84 -0.86 116.55 119.10 3gag n ASP 31 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3gag n ASP 31 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.63 0.00 -0.02 0.64 4.77 -0.40 -1.33 117.00 121.29 3gag n LEU 33 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3gag n LEU 33 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3gag n LEU 33 CO 0.00 0.00 0.86 -0.08 -1.33 0.00 0.00 177.39 176.84 3gag h GLU 34 N 0.00 0.18 -0.44 3.23 4.81 -1.26 -0.41 114.58 120.69 3gag h GLU 34 Ca 0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 3gag h GLU 34 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3gag h GLU 34 CO 0.00 0.24 -0.24 0.45 -0.73 0.00 0.00 179.01 178.73 3gag h HIS 35 N 0.08 1.04 -0.72 0.92 3.86 -1.47 -2.63 115.15 116.23 3gag h HIS 35 Ca 0.04 -0.25 0.03 0.00 -1.16 0.00 0.00 60.37 59.03 3gag h HIS 35 Cb 0.12 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 3gag h HIS 35 CO -0.03 1.04 0.48 0.00 0.86 0.00 0.00 177.93 180.28 3gag h ALA 36 N 0.94 1.55 0.00 2.45 0.00 -1.76 -2.32 119.26 120.12 3gag h ALA 36 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gag h ALA 36 Cb 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gag h ALA 36 CO 0.07 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 3gag n SER 37 N -4.45 0.37 0.00 0.00 3.41 -0.18 -1.84 113.62 110.93 3gag n SER 37 Ca 0.09 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.42 3gag n SER 37 Cb 0.09 -0.69 0.55 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.95 0.00 -1.46 7.33 4.01 -0.87 -4.80 117.16 119.42 3gag n TYR 38 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3gag n TYR 38 Cb 0.10 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.23 3gag n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gag s ALA 39 N -2.00 2.13 0.63 -0.72 0.00 -0.77 -4.99 121.76 116.05 3gag s ALA 39 Ca 0.28 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 3gag s ALA 39 Cb 0.13 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3gag s ALA 39 CO 0.21 -1.91 1.04 -1.25 0.00 0.00 0.00 175.76 173.85 3gag s PRO 40 N -3.74 3.41 0.03 0.00 0.04 -1.26 -4.97 135.00 128.50 3gag s PRO 40 Ca 0.78 0.87 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 3gag s PRO 40 Cb -0.33 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.20 3gag s PRO 40 CO 0.45 -0.72 0.48 -1.54 0.04 0.00 0.00 177.00 175.70 3gag s SER 41 N -3.82 -0.39 0.06 6.66 1.04 -1.26 -4.70 113.70 111.29 3gag s SER 41 Ca 0.57 0.18 -0.33 0.00 0.48 0.00 0.00 55.95 56.85 3gag s SER 41 Cb -0.12 0.45 -0.12 0.00 0.10 0.00 0.00 66.02 66.33 3gag s SER 41 CO 0.50 -0.65 1.77 0.61 0.98 0.00 0.00 173.24 176.45 3gag n GLY 42 N 0.61 1.42 2.30 7.32 0.00 -1.26 -1.19 105.19 114.39 3gag n GLY 42 Ca -0.19 0.75 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 5.25 -4.46 -3.22 1.61 3.02 -1.26 -1.46 115.26 114.75 3gag n ASN 43 Ca 0.19 0.40 -0.23 0.00 -0.03 0.00 0.00 54.58 54.91 3gag n ASN 43 Cb 0.32 -4.02 0.02 0.00 -0.61 0.00 0.00 39.78 35.49 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 -0.96 -4.96 0.21 6.41 5.15 -0.33 -4.89 115.26 115.89 3gag n ASN 44 Ca -0.17 -0.35 0.08 0.00 -0.60 0.00 0.00 54.58 53.53 3gag n ASN 44 Cb 0.56 -4.04 0.46 0.00 -0.53 0.00 0.00 39.78 36.23 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 -1.24 0.00 -6.07 1.20 0.04 -1.45 -3.48 116.94 105.93 3gag h PHE 45 Ca -0.49 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 59.89 3gag h PHE 45 Cb 1.33 0.00 0.09 0.00 2.20 0.00 0.00 35.95 39.57 3gag h PHE 45 CO 0.60 0.28 -0.90 1.04 -0.60 0.00 0.00 178.31 178.73 3gag n GLN 46 N -3.65 -2.22 0.00 1.51 6.02 -1.26 -4.84 117.38 112.94 3gag n GLN 46 Ca -0.01 0.56 0.11 0.00 -0.01 0.00 0.00 57.00 57.65 3gag n GLN 46 Cb 0.40 -4.66 0.64 0.00 1.02 0.00 0.00 30.24 27.65 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 -4.04 0.84 -2.19 -1.09 -0.04 -1.26 -4.85 135.00 122.38 3gag n PRO 47 Ca -0.14 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.93 3gag n PRO 47 Cb 0.62 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 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 3.03 -0.00 0.54 -2.14 -1.26 -1.33 118.94 115.78 3gag s TRP 48 Ca 0.32 1.49 0.02 0.00 2.66 0.00 0.00 56.10 60.59 3gag s TRP 48 Cb 0.15 -3.55 -0.01 0.00 -3.10 0.00 0.00 33.47 26.97 3gag s TRP 48 CO 0.25 -1.63 -0.05 1.03 -2.66 0.00 0.00 176.95 173.89 3gag s ARG 49 N -2.06 0.43 -0.02 3.25 1.81 -0.27 -4.90 118.95 117.20 3gag s ARG 49 Ca 0.54 -0.23 0.03 0.00 -1.72 0.00 0.00 55.73 54.35 3gag s ARG 49 Cb -0.36 -0.40 -0.01 0.00 -0.45 0.00 0.00 34.95 33.74 3gag s ARG 49 CO 0.46 0.11 -0.11 0.08 -0.68 0.00 0.00 175.30 175.16 3gag s VAL 50 N -0.22 0.89 -0.12 3.52 1.01 -1.26 -0.58 120.40 123.63 3gag s VAL 50 Ca 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3gag s VAL 50 Cb -0.03 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.61 3gag s VAL 50 CO -0.00 0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 174.49 3gag s VAL 51 N -0.12 1.73 -0.29 2.92 1.01 -0.49 -4.98 120.40 120.18 3gag s VAL 51 Ca 0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3gag s VAL 51 Cb -0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3gag s VAL 51 CO -0.00 0.49 0.11 -0.69 0.00 0.00 0.00 175.10 175.00 3gag s VAL 52 N 0.91 4.31 -0.31 2.92 1.01 -1.26 -0.72 120.40 127.27 3gag s VAL 52 Ca -0.07 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 3gag s VAL 52 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 3gag s VAL 52 CO -0.02 0.13 0.37 -0.69 0.00 0.00 0.00 175.10 174.90 3gag s VAL 53 N 1.57 5.17 -0.54 2.92 1.01 0.34 -4.92 120.40 125.95 3gag s VAL 53 Ca 0.04 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.34 3gag s VAL 53 Cb -0.17 -3.77 0.18 0.00 0.00 0.00 0.00 36.38 32.62 3gag s VAL 53 CO 0.04 0.01 0.43 1.17 0.00 0.00 0.00 175.10 176.75 3gag n LYS 54 N 5.38 0.97 -3.19 2.72 4.81 -1.26 -0.75 118.16 126.84 3gag n LYS 54 Ca -0.09 -3.77 0.04 0.00 -0.87 0.00 0.00 58.31 53.62 3gag n LYS 54 Cb 0.50 -1.93 -0.02 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.72 -0.61 0.29 3.14 3.84 -1.26 -5.07 114.94 114.55 3gag s ASN 55 Ca 0.30 0.46 -0.01 0.00 0.21 0.00 0.00 52.86 53.82 3gag s ASN 55 Cb 0.02 1.54 0.43 0.00 -0.55 0.00 0.00 41.25 42.69 3gag s ASN 55 CO -0.18 -0.11 1.89 0.11 -2.79 0.00 0.00 177.10 176.02 3gag h LYS 56 N 7.90 0.92 -0.19 0.43 1.79 -1.95 -0.95 116.57 124.52 3gag h LYS 56 Ca -0.15 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3gag h LYS 56 Cb 1.16 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 3gag h LYS 56 CO -0.01 0.72 0.12 -0.91 -1.08 0.00 0.00 179.45 178.29 3gag h ASN 57 N 0.92 0.21 -0.30 0.86 2.35 -1.97 -0.37 115.58 117.27 3gag h ASN 57 Ca 0.22 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3gag h ASN 57 Cb 0.12 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3gag h ASN 57 CO -0.03 0.15 0.01 0.11 -1.65 0.00 0.00 177.43 176.02 3gag h LYS 58 N 0.25 0.64 -0.26 0.81 1.57 -1.92 -2.25 116.57 115.40 3gag h LYS 58 Ca 0.07 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3gag h LYS 58 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3gag h LYS 58 CO -0.02 0.65 -0.29 1.96 -0.57 0.00 0.00 179.45 181.18 3gag h GLN 59 N 0.61 0.53 -0.70 3.15 4.20 -0.77 -0.70 115.11 121.42 3gag h GLN 59 Ca 0.13 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3gag h GLN 59 Cb 0.37 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 3gag h GLN 59 CO 0.01 0.77 0.30 0.93 -0.67 0.00 0.00 178.83 180.17 3gag h GLU 60 N 0.46 1.02 -0.52 1.46 4.39 -0.81 0.22 114.58 120.80 3gag h GLU 60 Ca 0.06 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3gag h GLU 60 Cb 0.74 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3gag h GLU 60 CO 0.06 0.82 0.14 -0.44 -1.16 0.00 0.00 179.01 178.43 3gag h ASP 61 N 1.01 0.78 0.11 1.42 3.32 -0.99 -2.76 116.42 119.30 3gag h ASP 61 Ca 0.24 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3gag h ASP 61 Cb 0.16 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3gag h ASP 61 CO -0.02 0.80 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.97 3gag h LEU 62 N 0.72 0.25 -1.21 1.55 3.38 -0.68 -2.54 115.31 116.78 3gag h LEU 62 Ca 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3gag h LEU 62 Cb 0.31 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3gag h LEU 62 CO -0.00 0.52 0.38 0.50 0.09 0.00 0.00 178.44 179.93 3gag h LYS 63 N 0.23 0.93 0.00 1.13 3.64 -0.31 -1.64 116.57 120.55 3gag h LYS 63 Ca 0.04 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3gag h LYS 63 Cb 0.58 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3gag h LYS 63 CO 0.04 0.67 -0.21 0.87 -2.27 0.00 0.00 179.45 178.55 3gag h LYS 64 N 0.94 0.00 -0.37 1.90 1.57 -1.21 -1.15 116.57 118.25 3gag h LYS 64 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3gag h LYS 64 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3gag h LYS 64 CO -0.04 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.33 3gag n LEU 65 N -4.03 2.46 -2.44 2.94 4.77 -0.68 -4.28 117.00 115.74 3gag n LEU 65 Ca -0.02 -1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 54.69 3gag n LEU 65 Cb 0.29 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3gag n LEU 65 CO 0.35 0.57 0.08 0.00 -1.33 0.00 0.00 177.39 177.06 3gag n ALA 66 N 0.84 3.88 -2.34 -1.18 0.00 -0.59 -0.27 120.51 120.85 3gag n ALA 66 Ca 0.17 -3.34 -0.21 0.00 0.00 0.00 0.00 53.44 50.06 3gag n ALA 66 Cb 0.42 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.60 -0.60 -2.32 0.00 0.00 -1.24 -1.46 120.51 114.29 3gag n ALA 67 Ca 0.26 0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.71 3gag n ALA 67 Cb 0.87 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.96 -1.57 -4.67 0.00 4.77 -0.54 -4.93 117.00 107.10 3gag n LEU 68 Ca -0.24 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 3gag n LEU 68 Cb 0.69 -2.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.16 3gag n LEU 68 CO 0.29 -0.26 1.29 -1.10 -1.33 0.00 0.00 177.39 176.28 3gag s GLN 69 N -4.87 4.21 0.42 3.23 -0.21 -0.54 -4.89 119.66 117.01 3gag s GLN 69 Ca 0.00 2.10 0.14 0.00 0.02 0.00 0.00 55.36 57.62 3gag s GLN 69 Cb 0.00 -3.85 0.89 0.00 1.00 0.00 0.00 33.01 31.05 3gag s GLN 69 CO 0.00 -0.77 1.93 -1.00 -2.12 0.00 0.00 175.29 173.32 3gag h PRO 70 N 8.96 0.01 -0.01 2.91 0.13 -1.91 -2.77 132.00 139.32 3gag h PRO 70 Ca -0.38 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3gag h PRO 70 Cb 1.17 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gag h PRO 70 CO 0.94 0.26 0.02 -0.56 -0.23 0.00 0.00 178.00 178.43 3gag h GLN 71 N 0.01 0.00 -0.44 0.86 -0.00 -1.90 -1.88 115.11 111.76 3gag h GLN 71 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.54 3gag h GLN 71 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.92 3gag h GLN 71 CO 0.03 0.00 -0.15 0.28 -0.00 0.00 0.00 178.83 178.99 3gag h VAL 72 N 0.00 1.26 0.00 1.86 2.07 -1.85 -2.30 116.25 117.29 3gag h VAL 72 Ca 0.00 -1.24 -0.20 0.00 0.82 0.00 0.00 66.70 66.08 3gag h VAL 72 Cb 0.03 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3gag h VAL 72 CO -0.00 0.42 -1.31 0.00 0.02 0.00 0.00 177.57 176.70 3gag h ALA 73 N 1.10 0.65 0.00 1.67 0.00 -1.53 -3.37 119.26 117.78 3gag h ALA 73 Ca 0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 3gag h ALA 73 Cb 0.65 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3gag h ALA 73 CO 0.05 1.13 -0.75 1.79 0.00 0.00 0.00 179.25 181.46 3gag h THR 74 N 0.00 0.04 -4.15 0.00 1.35 -1.50 -3.46 112.91 105.20 3gag h THR 74 Ca -0.16 -1.07 -0.55 0.00 -0.55 0.00 0.00 66.41 64.08 3gag h THR 74 Cb 1.72 1.67 0.16 0.00 -1.73 0.00 0.00 68.15 69.97 3gag h THR 74 CO 0.07 0.02 0.45 0.00 -0.25 0.00 0.00 175.52 175.81 3gag s ALA 75 N -3.30 2.19 0.32 6.62 0.00 -0.87 -3.69 121.76 123.04 3gag s ALA 75 Ca 0.01 1.06 0.10 0.00 0.00 0.00 0.00 51.96 53.14 3gag s ALA 75 Cb 0.08 -3.52 0.53 0.00 0.00 0.00 0.00 23.12 20.21 3gag s ALA 75 CO 0.76 -1.82 1.72 0.77 0.00 0.00 0.00 175.76 177.19 3gag h SER 76 N 0.04 0.06 -4.97 0.00 0.02 -1.22 -3.45 113.55 104.02 3gag h SER 76 Ca -0.49 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 3gag h SER 76 Cb 1.32 -0.02 -0.19 0.00 0.14 0.00 0.00 62.40 63.65 3gag h SER 76 CO 0.51 0.52 0.13 0.00 -1.14 0.00 0.00 176.83 176.84 3gag s ALA 77 N -3.98 -1.64 -0.25 3.77 0.00 -0.89 -4.58 121.76 114.20 3gag s ALA 77 Ca -0.03 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 3gag s ALA 77 Cb 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.25 3gag s ALA 77 CO 0.75 -0.35 -0.02 0.08 0.00 0.00 0.00 175.76 176.22 3gag s VAL 78 N -1.17 3.36 -0.29 0.00 1.01 0.07 -1.14 120.40 122.24 3gag s VAL 78 Ca -0.11 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 3gag s VAL 78 Cb -0.01 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3gag s VAL 78 CO 0.09 0.25 0.50 -0.36 0.00 0.00 0.00 175.10 175.58 3gag s PHE 79 N 1.43 3.24 -0.32 5.22 0.40 -0.17 -0.50 117.98 127.27 3gag s PHE 79 Ca 0.03 0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 56.72 3gag s PHE 79 Cb -0.16 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.58 3gag s PHE 79 CO -0.02 -0.35 0.21 -0.51 0.70 0.00 0.00 175.22 175.25 3gag s LEU 80 N 2.31 4.31 -0.22 -0.37 1.43 0.10 -0.31 118.68 125.93 3gag s LEU 80 Ca 0.20 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 3gag s LEU 80 Cb -0.16 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3gag s LEU 80 CO 0.10 -0.18 0.07 -0.76 0.23 0.00 0.00 176.35 175.82 3gag s LEU 81 N 1.71 3.61 0.27 1.79 1.43 0.21 -1.39 118.68 126.31 3gag s LEU 81 Ca 0.06 -0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.18 3gag s LEU 81 Cb -0.17 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 3gag s LEU 81 CO 0.10 0.05 -0.18 -0.36 0.23 0.00 0.00 176.35 176.19 3gag s PHE 82 N 1.12 2.18 -0.06 0.29 0.40 0.25 -0.38 117.98 121.78 3gag s PHE 82 Ca 0.04 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 3gag s PHE 82 Cb -0.14 -0.99 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 3gag s PHE 82 CO 0.03 0.63 -0.12 0.20 0.70 0.00 0.00 175.22 176.66 3gag s GLY 83 N -3.48 1.58 -0.35 4.36 0.00 0.33 -1.11 107.32 108.65 3gag s GLY 83 Ca 0.29 -0.95 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 3gag s GLY 83 CO 0.14 -0.68 0.21 -0.35 0.00 0.00 0.00 173.10 172.41 3gag s ASP 84 N -0.64 5.80 0.32 1.64 -1.08 -0.44 0.02 116.67 122.28 3gag s ASP 84 Ca 0.09 -0.65 0.06 0.00 -0.52 0.00 0.00 52.55 51.53 3gag s ASP 84 Cb -0.11 -2.06 0.71 0.00 -1.46 0.00 0.00 42.92 39.99 3gag s ASP 84 CO 0.01 -0.28 1.83 -0.33 0.52 0.00 0.00 175.17 176.92 3gag h GLU 85 N 8.44 0.79 0.00 4.34 5.08 -1.86 0.55 114.58 131.93 3gag h GLU 85 Ca -0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3gag h GLU 85 Cb 1.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3gag h GLU 85 CO 0.65 0.53 0.00 0.09 -1.00 0.00 0.00 179.01 179.27 3gag n ASN 86 N -4.64 0.00 0.28 1.42 3.02 -1.26 -2.52 115.26 111.56 3gag n ASN 86 Ca 0.20 0.39 0.16 0.00 -0.03 0.00 0.00 54.58 55.29 3gag n ASN 86 Cb 0.47 -0.45 0.81 0.00 -0.61 0.00 0.00 39.78 40.00 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 2.65 1.16 -0.30 5.41 0.00 -1.23 -3.27 119.26 123.66 3gag h ALA 87 Ca 0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 3gag h ALA 87 Cb 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3gag h ALA 87 CO 0.00 0.09 1.92 0.66 0.00 0.00 0.00 179.25 181.92 3gag n TYR 88 N -3.40 1.84 -3.74 0.00 4.01 -1.05 -4.86 117.16 109.97 3gag n TYR 88 Ca -0.01 -2.48 -0.37 0.00 -0.16 0.00 0.00 57.90 54.87 3gag n TYR 88 Cb 0.22 -1.90 -0.12 0.00 -0.31 0.00 0.00 39.34 37.23 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 1.23 5.21 0.00 7.72 -1.08 -1.24 -4.99 116.67 123.53 3gag s ASP 89 Ca 0.62 -0.62 0.30 0.00 -0.52 0.00 0.00 52.55 52.32 3gag s ASP 89 Cb 0.25 -1.91 1.38 0.00 -1.46 0.00 0.00 42.92 41.18 3gag s ASP 89 CO -0.09 -0.18 1.98 0.18 0.52 0.00 0.00 175.17 177.58 3gag n LEU 90 N 4.90 0.09 -0.02 -1.34 4.77 -1.26 -1.55 117.00 122.59 3gag n LEU 90 Ca -0.15 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3gag n LEU 90 Cb 0.49 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3gag n LEU 90 CO 0.32 0.02 0.41 0.74 -1.33 0.00 0.00 177.39 177.54 3gag h THR 91 N 0.08 1.25 -0.90 -5.08 2.02 -1.99 -3.14 112.91 105.16 3gag h THR 91 Ca 0.00 -1.59 0.10 0.00 0.77 0.00 0.00 66.41 65.69 3gag h THR 91 Cb 0.35 2.21 -0.08 0.00 -1.74 0.00 0.00 68.15 68.89 3gag h THR 91 CO 0.00 0.37 0.54 -0.25 0.37 0.00 0.00 175.52 176.54 3gag h TRP 92 N -0.85 0.97 -0.55 3.16 7.01 -1.94 -1.27 115.95 122.48 3gag h TRP 92 Ca -0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3gag h TRP 92 Cb 0.65 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 3gag h TRP 92 CO 0.15 0.40 0.33 2.35 -2.79 0.00 0.00 178.44 178.89 3gag h TRP 93 N 0.89 0.73 -0.12 2.65 7.01 -1.37 0.26 115.95 125.99 3gag h TRP 93 Ca 0.43 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.41 3gag h TRP 93 Cb 0.39 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3gag h TRP 93 CO -0.04 0.50 -0.02 1.96 -2.79 0.00 0.00 178.44 178.06 3gag h GLN 94 N 0.74 0.23 -0.37 2.65 4.20 -1.42 -2.29 115.11 118.85 3gag h GLN 94 Ca 0.20 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.87 3gag h GLN 94 Cb -0.02 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3gag h GLN 94 CO -0.04 0.51 0.14 0.93 -0.67 0.00 0.00 178.83 179.70 3gag h GLU 95 N -0.06 0.30 -0.18 1.46 5.08 -0.59 -0.17 114.58 120.41 3gag h GLU 95 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3gag h GLU 95 Cb 0.41 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3gag h GLU 95 CO 0.01 0.20 0.07 0.35 -1.00 0.00 0.00 179.01 178.64 3gag h PHE 96 N 0.30 0.28 -0.08 4.33 3.57 -0.53 0.28 116.94 125.09 3gag h PHE 96 Ca 0.17 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.47 3gag h PHE 96 Cb 0.13 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3gag h PHE 96 CO -0.13 0.34 -0.69 0.45 -2.23 0.00 0.00 178.31 176.05 3gag h HIS 97 N 0.14 0.50 -0.08 0.41 3.86 -1.20 -1.52 115.15 117.25 3gag h HIS 97 Ca 0.06 -0.21 -0.10 0.00 -1.16 0.00 0.00 60.37 58.96 3gag h HIS 97 Cb 0.18 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3gag h HIS 97 CO -0.01 0.94 -0.35 0.28 0.86 0.00 0.00 177.93 179.66 3gag h VAL 98 N 0.26 1.41 -0.07 2.45 2.07 -1.03 0.00 116.25 121.34 3gag h VAL 98 Ca -0.02 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 3gag h VAL 98 Cb 1.24 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 3gag h VAL 98 CO 0.12 0.50 -0.11 1.56 0.02 0.00 0.00 177.57 179.66 3gag h GLN 99 N -0.09 0.11 -0.11 1.57 7.50 -0.93 -2.01 115.11 121.15 3gag h GLN 99 Ca -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3gag h GLN 99 Cb 0.99 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.50 3gag h GLN 99 CO 0.07 0.23 0.00 1.63 -1.50 0.00 0.00 178.83 179.26 3gag n LYS 100 N -4.35 1.47 -1.26 1.46 4.76 -0.58 -4.92 118.16 114.75 3gag n LYS 100 Ca -0.02 -0.71 -0.09 0.00 -2.87 0.00 0.00 58.31 54.62 3gag n LYS 100 Cb 0.22 -1.35 -0.04 0.00 -1.84 0.00 0.00 35.03 32.02 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 1.01 1.06 0.15 0.72 0.00 -0.76 -4.92 105.19 102.46 3gag n GLY 101 Ca 0.15 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 1.39 -3.64 -0.61 1.08 -1.21 -3.48 117.51 111.04 3gag h ILE 102 Ca -0.18 -2.07 -0.07 0.00 -0.39 0.00 0.00 64.86 62.14 3gag h ILE 102 Cb 0.60 2.50 -0.13 0.00 -3.07 0.00 0.00 36.82 36.72 3gag h ILE 102 CO 0.27 0.61 -0.23 0.27 -0.69 0.00 0.00 178.15 178.38 3gag s ILE 103 N -3.30 0.10 0.87 -0.67 -4.36 -1.18 -5.04 121.20 107.63 3gag s ILE 103 Ca -0.13 -0.98 -0.12 0.00 -0.26 0.00 0.00 60.65 59.16 3gag s ILE 103 Cb 0.04 -1.37 0.12 0.00 1.25 0.00 0.00 42.46 42.50 3gag s ILE 103 CO 0.84 -0.45 1.16 0.42 0.24 0.00 0.00 174.94 177.15 3gag s THR 104 N -3.86 1.99 0.10 8.37 -4.23 -1.26 -4.10 115.64 112.65 3gag s THR 104 Ca 0.06 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.38 3gag s THR 104 Cb 0.03 -2.86 -0.08 0.00 1.34 0.00 0.00 72.50 70.93 3gag s THR 104 CO -0.09 0.00 1.67 0.07 -0.54 0.00 0.00 174.62 175.73 3gag h LYS 105 N -1.33 0.31 -0.34 3.99 -0.00 -1.96 0.10 116.57 117.34 3gag h LYS 105 Ca -0.48 -0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.15 3gag h LYS 105 Cb 1.33 -0.06 -0.03 0.00 -0.00 0.00 0.00 32.23 33.47 3gag h LYS 105 CO 0.62 0.33 0.13 -0.44 -0.00 0.00 0.00 179.45 180.10 3gag h ASP 106 N 0.22 0.16 -0.35 7.07 5.19 -2.00 -0.69 116.42 126.02 3gag h ASP 106 Ca 0.07 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.56 3gag h ASP 106 Cb 0.13 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.60 3gag h ASP 106 CO -0.01 0.13 0.09 -0.33 -3.12 0.00 0.00 179.24 176.00 3gag h GLU 107 N 0.29 0.22 -0.60 3.56 5.08 -1.89 -2.09 114.58 119.15 3gag h GLU 107 Ca 0.15 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3gag h GLU 107 Cb 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3gag h GLU 107 CO -0.14 0.14 0.12 0.00 -1.00 0.00 0.00 179.01 178.13 3gag h ALA 108 N 1.25 1.09 -0.47 3.43 0.00 -0.49 -0.98 119.26 123.09 3gag h ALA 108 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gag h ALA 108 Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3gag h ALA 108 CO -0.20 0.60 0.18 0.00 0.00 0.00 0.00 179.25 179.83 3gag h ALA 109 N 1.23 0.61 -0.25 0.00 0.00 -0.83 0.11 119.26 120.13 3gag h ALA 109 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gag h ALA 109 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gag h ALA 109 CO 0.00 0.22 0.08 0.00 0.00 0.00 0.00 179.25 179.55 3gag h ALA 110 N 1.03 0.32 -0.87 0.00 0.00 -1.21 -2.68 119.26 115.85 3gag h ALA 110 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gag h ALA 110 Cb 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3gag h ALA 110 CO -0.01 -0.05 0.46 0.00 0.00 0.00 0.00 179.25 179.65 3gag h ARG 111 N 0.23 1.23 -0.69 0.00 3.08 -1.00 -2.91 114.38 114.32 3gag h ARG 111 Ca 0.08 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3gag h ARG 111 Cb 0.24 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3gag h ARG 111 CO -0.00 0.91 0.22 0.00 -1.07 0.00 0.00 179.97 180.03 3gag h ALA 112 N 1.28 1.08 -0.46 0.04 0.00 -0.64 -0.53 119.26 120.04 3gag h ALA 112 Ca 0.31 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3gag h ALA 112 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gag h ALA 112 CO -0.05 0.63 -0.15 1.49 0.00 0.00 0.00 179.25 181.17 3gag h GLU 113 N 1.02 0.87 -0.76 0.00 4.57 -1.29 0.10 114.58 119.08 3gag h GLU 113 Ca 0.23 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3gag h GLU 113 Cb 0.28 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 3gag h GLU 113 CO -0.01 0.97 0.38 0.00 -1.18 0.00 0.00 179.01 179.17 3gag h ARG 114 N 0.77 1.09 -0.53 1.92 3.08 -1.30 -0.58 114.38 118.83 3gag h ARG 114 Ca 0.12 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3gag h ARG 114 Cb 0.68 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3gag h ARG 114 CO 0.05 0.84 0.05 0.82 -1.07 0.00 0.00 179.97 180.65 3gag h ILE 115 N 1.07 1.26 -0.50 2.04 2.04 -0.72 -1.54 117.51 121.15 3gag h ILE 115 Ca 0.26 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.13 3gag h ILE 115 Cb 0.09 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3gag h ILE 115 CO -0.04 0.37 0.30 0.03 0.00 0.00 0.00 178.15 178.81 3gag h ARG 116 N 0.79 0.57 -0.25 2.37 3.08 -0.67 -0.75 114.38 119.52 3gag h ARG 116 Ca 0.16 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3gag h ARG 116 Cb 0.46 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3gag h ARG 116 CO 0.02 0.38 -0.09 1.96 -1.07 0.00 0.00 179.97 181.16 3gag h GLN 117 N 0.59 0.41 0.19 0.04 4.20 -0.90 -0.10 115.11 119.53 3gag h GLN 117 Ca 0.20 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3gag h GLN 117 Cb 0.03 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3gag h GLN 117 CO -0.10 0.51 -0.09 -0.92 -0.67 0.00 0.00 178.83 177.56 3gag h TYR 118 N 0.38 -0.24 0.00 2.96 3.20 -0.72 -2.63 116.97 119.92 3gag h TYR 118 Ca 0.08 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3gag h TYR 118 Cb 0.40 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3gag h TYR 118 CO 0.01 0.00 -0.21 0.74 -1.64 0.00 0.00 178.16 177.06 3gag h PHE 119 N -0.45 0.00 -0.87 -3.82 0.04 -0.96 0.13 116.94 111.00 3gag h PHE 119 Ca -0.03 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.75 3gag h PHE 119 Cb 0.35 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3gag h PHE 119 CO -0.01 0.21 0.57 -0.44 -0.60 0.00 0.00 178.31 178.04 3gag h ASP 120 N 0.00 1.01 0.97 2.17 3.32 -0.80 -2.11 116.42 120.97 3gag h ASP 120 Ca -0.00 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3gag h ASP 120 Cb 0.42 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3gag h ASP 120 CO 0.03 0.74 -1.10 -0.07 -1.72 0.00 0.00 179.24 177.12 3gag h LEU 121 N 1.18 0.00 -5.96 1.55 3.38 -0.95 -3.39 115.31 111.11 3gag h LEU 121 Ca 0.32 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.72 3gag h LEU 121 Cb -0.12 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.22 3gag h LEU 121 CO -0.07 0.53 -0.85 1.41 0.09 0.00 0.00 178.44 179.55 3gag n HIS 122 N -2.99 1.96 0.25 1.13 8.25 0.35 -4.93 115.22 119.24 3gag n HIS 122 Ca -0.05 -3.90 0.09 0.00 -0.26 0.00 0.00 57.72 53.60 3gag n HIS 122 Cb 0.79 -0.46 0.63 0.00 1.12 0.00 0.00 29.99 32.07 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 3.78 0.00 -0.18 -0.41 0.13 -1.60 -1.92 132.00 131.80 3gag h PRO 123 Ca 0.13 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.32 3gag h PRO 123 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3gag h PRO 123 CO 0.67 0.14 0.16 1.05 -0.23 0.00 0.00 178.00 179.79 3gag h GLU 124 N 0.00 0.00 0.00 0.86 9.09 -1.92 -2.31 114.58 120.31 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 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3gag h GLU 124 CO 0.02 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.83 3gag n ASP 125 N -4.07 0.26 -0.81 3.06 8.00 -0.72 -1.46 116.55 120.81 3gag n ASP 125 Ca 0.01 0.54 0.07 0.00 0.71 0.00 0.00 54.79 56.13 3gag n ASP 125 Cb 0.29 -0.60 0.22 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.76 2.95 0.00 -1.24 2.85 -0.88 -4.28 118.16 115.80 3gag n LYS 126 Ca 0.05 -2.51 0.00 0.00 -1.05 0.00 0.00 58.31 54.81 3gag n LYS 126 Cb 0.30 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 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 -0.02 3.50 -0.19 -1.58 1.02 -0.53 -4.89 120.64 117.95 3gag n GLU 127 Ca 0.17 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.37 3gag n GLU 127 Cb 0.69 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.46 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 0.00 1.03 -0.56 2.62 2.02 -1.92 -1.46 112.91 114.64 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 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 3gag h THR 128 CO 0.00 0.14 0.25 1.56 0.37 0.00 0.00 175.52 177.85 3gag h GLN 129 N 0.78 0.81 -0.52 6.66 4.20 -1.95 0.77 115.11 125.88 3gag h GLN 129 Ca 0.31 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3gag h GLN 129 Cb 0.23 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3gag h GLN 129 CO -0.10 0.68 0.18 0.78 -0.67 0.00 0.00 178.83 179.69 3gag h GLY 130 N 0.76 0.85 1.05 3.46 0.00 -0.59 -2.65 103.07 105.95 3gag h GLY 130 Ca 0.19 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3gag h GLY 130 CO -0.02 0.46 0.15 1.41 0.00 0.00 0.00 176.54 178.54 3gag h LEU 131 N 0.70 1.04 -0.80 3.11 3.38 -0.90 -0.99 115.31 120.84 3gag h LEU 131 Ca 0.17 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3gag h LEU 131 Cb 0.25 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3gag h LEU 131 CO -0.01 1.01 0.52 0.03 0.09 0.00 0.00 178.44 180.08 3gag h ARG 132 N 1.02 1.00 -0.01 1.13 2.47 -0.66 0.11 114.38 119.44 3gag h ARG 132 Ca 0.21 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3gag h ARG 132 Cb 0.39 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3gag h ARG 132 CO 0.01 0.66 -0.00 1.25 0.56 0.00 0.00 179.97 182.44 3gag h LEU 133 N 1.03 0.02 -0.21 3.04 5.85 -1.23 -1.03 115.31 122.78 3gag h LEU 133 Ca 0.31 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3gag h LEU 133 Cb -0.04 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3gag h LEU 133 CO -0.09 0.45 0.03 0.44 -0.34 0.00 0.00 178.44 178.93 3gag h ASP 134 N -0.41 0.34 1.10 1.25 3.32 -1.01 -1.00 116.42 120.00 3gag h ASP 134 Ca 0.00 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.70 3gag h ASP 134 Cb 0.44 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3gag h ASP 134 CO 0.00 0.52 -0.41 0.58 -1.72 0.00 0.00 179.24 178.21 3gag h VAL 135 N 0.15 0.84 -0.55 -1.35 2.07 -0.89 -2.51 116.25 114.02 3gag h VAL 135 Ca 0.07 -1.75 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 3gag h VAL 135 Cb 0.32 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 3gag h VAL 135 CO 0.00 0.40 0.07 1.23 0.02 0.00 0.00 177.57 179.29 3gag h GLY 136 N 2.60 0.99 0.97 2.17 0.00 -0.80 0.15 103.07 109.16 3gag h GLY 136 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 3gag h GLY 136 CO 0.05 0.63 0.16 1.41 0.00 0.00 0.00 176.54 178.79 3gag h LEU 137 N 0.81 0.32 -0.53 3.11 3.38 -0.87 -2.75 115.31 118.78 3gag h LEU 137 Ca 0.16 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3gag h LEU 137 Cb 0.44 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3gag h LEU 137 CO 0.02 0.28 0.23 0.15 0.09 0.00 0.00 178.44 179.21 3gag h PHE 138 N 0.33 0.42 0.00 1.13 3.04 -1.17 -2.15 116.94 118.54 3gag h PHE 138 Ca 0.09 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3gag h PHE 138 Cb 0.02 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.42 3gag h PHE 138 CO -0.04 0.17 0.00 0.00 -2.02 0.00 0.00 178.31 176.42 3gag n ALA 139 N -2.38 1.48 0.00 2.41 0.00 0.51 -0.61 120.51 121.93 3gag n ALA 139 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gag n ALA 139 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.65 0.00 -1.14 0.00 5.15 -0.81 -4.69 115.26 114.41 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 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.22 -0.96 117.00 125.39 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 1.05 0.00 -0.27 1.96 1.13 -1.26 -1.29 117.38 118.70 3gag n GLN 144 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 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 1.26 -0.06 5.09 2.07 -1.45 -2.63 116.25 120.53 3gag h VAL 145 Ca 0.00 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3gag h VAL 145 Cb 0.00 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3gag h VAL 145 CO 0.00 0.34 -0.06 -0.37 0.02 0.00 0.00 177.57 177.50 3gag h VAL 146 N 1.11 1.08 -0.11 2.57 -1.51 -1.46 -1.91 116.25 116.03 3gag h VAL 146 Ca 0.25 -0.37 -0.07 0.00 -1.23 0.00 0.00 66.70 65.29 3gag h VAL 146 Cb 0.25 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 3gag h VAL 146 CO -0.02 0.11 -0.23 0.03 -1.23 0.00 0.00 177.57 176.24 3gag h ARG 147 N 0.09 0.18 -0.86 5.19 3.08 -1.47 -2.69 114.38 117.89 3gag h ARG 147 Ca 0.02 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.16 3gag h ARG 147 Cb 0.17 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3gag h ARG 147 CO 0.01 0.41 0.56 0.28 -1.07 0.00 0.00 179.97 180.16 3gag h VAL 148 N 0.17 0.83 -0.08 2.04 2.07 -1.34 -1.14 116.25 118.79 3gag h VAL 148 Ca 0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3gag h VAL 148 Cb 0.51 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3gag h VAL 148 CO 0.03 0.12 0.00 -1.22 0.02 0.00 0.00 177.57 176.52 3gag n TYR 149 N -4.54 0.08 -0.16 1.57 4.01 -1.05 -4.93 117.16 112.14 3gag n TYR 149 Ca 0.17 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3gag n TYR 149 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.74 4.00 2.72 0.00 -0.43 -5.09 105.19 108.29 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 -2.18 2.95 0.27 1.61 1.51 -1.04 -4.74 117.35 115.74 3gag s TYR 151 Ca 0.00 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 3gag s TYR 151 Cb 0.00 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3gag s TYR 151 CO 0.00 -0.29 0.17 -0.51 -1.11 0.00 0.00 175.55 173.81 3gag s ASP 152 N -4.28 1.10 0.25 2.29 1.01 0.22 -3.35 116.67 113.91 3gag s ASP 152 Ca 0.51 -1.53 -0.14 0.00 0.71 0.00 0.00 52.55 52.10 3gag s ASP 152 Cb -0.10 0.40 -0.00 0.00 1.01 0.00 0.00 42.92 44.23 3gag s ASP 152 CO 0.33 -0.90 0.51 -0.94 0.21 0.00 0.00 175.17 174.38 3gag s SER 153 N -3.30 -0.12 -0.03 0.27 1.04 -1.26 -1.21 113.70 109.09 3gag s SER 153 Ca 0.38 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 3gag s SER 153 Cb 0.05 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3gag s SER 153 CO 0.18 -1.17 0.04 0.54 0.98 0.00 0.00 173.24 173.81 3gag s VAL 154 N -4.00 -0.05 0.99 5.02 0.11 -1.10 -1.56 120.40 119.80 3gag s VAL 154 Ca 0.20 0.30 -0.16 0.00 -2.93 0.00 0.00 61.98 59.40 3gag s VAL 154 Cb -0.01 -0.14 0.20 0.00 -1.53 0.00 0.00 36.38 34.89 3gag s VAL 154 CO 0.08 0.14 1.26 -2.16 -3.33 0.00 0.00 175.10 171.09 3gag s PRO 155 N 1.61 0.48 0.00 1.54 0.04 -1.26 -3.77 135.00 133.63 3gag s PRO 155 Ca -0.02 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.78 3gag s PRO 155 Cb -0.13 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3gag s PRO 155 CO -0.03 -2.55 0.00 0.54 0.04 0.00 0.00 177.00 175.00 3gag n ARG 157 N -3.90 0.00 -1.40 4.56 1.74 -1.26 -5.01 116.66 111.39 3gag n ARG 157 Ca 0.13 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.82 3gag n ARG 157 Cb 0.60 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 4.26 3.26 -0.13 0.00 -1.26 -4.79 105.19 106.53 3gag n GLY 158 Ca 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 2.46 0.06 -1.08 1.61 -7.23 -1.26 -4.36 120.40 110.60 3gag s VAL 159 Ca 0.64 -1.72 -0.14 0.00 -1.81 0.00 0.00 61.98 58.94 3gag s VAL 159 Cb 0.17 -2.09 0.18 0.00 0.56 0.00 0.00 36.38 35.20 3gag s VAL 159 CO -0.07 -0.28 1.23 -0.62 -0.31 0.00 0.00 175.10 175.06 3gag s ASP 160 N -3.04 6.97 0.39 4.85 -1.08 0.62 -4.87 116.67 120.50 3gag s ASP 160 Ca 0.25 -2.81 0.09 0.00 -0.52 0.00 0.00 52.55 49.56 3gag s ASP 160 Cb 0.05 -2.35 0.79 0.00 -1.46 0.00 0.00 42.92 39.95 3gag s ASP 160 CO 0.04 -0.74 1.93 -0.26 0.52 0.00 0.00 175.17 176.66 3gag h PHE 161 N 7.59 0.29 -0.50 -5.34 0.04 -1.91 -1.67 116.94 115.43 3gag h PHE 161 Ca 0.23 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.00 3gag h PHE 161 Cb 0.93 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 3gag h PHE 161 CO 1.06 0.37 0.29 -0.44 -0.60 0.00 0.00 178.31 178.99 3gag h ASP 162 N 0.27 0.47 -0.06 2.17 3.32 -1.98 -0.92 116.42 119.68 3gag h ASP 162 Ca 0.06 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3gag h ASP 162 Cb 0.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3gag h ASP 162 CO 0.02 0.33 -0.33 0.00 -1.72 0.00 0.00 179.24 177.54 3gag h ALA 163 N 1.23 0.96 -0.43 3.45 0.00 -1.80 -2.71 119.26 119.96 3gag h ALA 163 Ca 0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3gag h ALA 163 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gag h ALA 163 CO -0.10 0.61 0.07 0.82 0.00 0.00 0.00 179.25 180.65 3gag h ILE 164 N 0.46 1.24 -0.28 0.00 2.04 -0.82 0.13 117.51 120.29 3gag h ILE 164 Ca 0.05 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.04 3gag h ILE 164 Cb 0.80 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3gag h ILE 164 CO 0.06 0.31 0.18 0.11 0.00 0.00 0.00 178.15 178.81 3gag h LYS 165 N 0.58 0.35 -0.90 2.37 1.57 -1.10 0.49 116.57 119.93 3gag h LYS 165 Ca 0.13 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3gag h LYS 165 Cb 0.37 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 3gag h LYS 165 CO 0.01 0.23 0.54 1.15 -0.57 0.00 0.00 179.45 180.81 3gag h THR 166 N 0.36 1.25 -0.81 -0.16 2.02 -1.28 0.77 112.91 115.06 3gag h THR 166 Ca 0.10 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3gag h THR 166 Cb -0.03 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.32 3gag h THR 166 CO -0.03 0.26 0.43 0.22 0.37 0.00 0.00 175.52 176.77 3gag h TYR 167 N 1.24 1.12 -0.08 3.16 3.20 0.16 -3.00 116.97 122.78 3gag h TYR 167 Ca 0.32 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3gag h TYR 167 Cb -0.05 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.87 3gag h TYR 167 CO 0.00 0.79 0.00 1.28 -1.64 0.00 0.00 178.16 178.59 3gag n LEU 168 N -4.40 2.80 -2.24 2.82 4.77 0.08 -5.09 117.00 115.74 3gag n LEU 168 Ca 0.08 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3gag n LEU 168 Cb 0.10 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3gag n LEU 168 CO 0.38 0.49 -0.41 -0.67 -1.33 0.00 0.00 177.39 175.85 3gag n ASP 169 N 1.16 -7.97 -4.75 -1.43 2.03 0.26 -5.04 116.55 100.81 3gag n ASP 169 Ca 0.16 1.66 -0.33 0.00 0.52 0.00 0.00 54.79 56.79 3gag n ASP 169 Cb 0.56 -4.63 -0.08 0.00 -0.72 0.00 0.00 41.12 36.25 3gag n ASP 169 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3gag s PRO 171 N -0.49 3.01 -0.00 -0.67 0.02 -1.26 -5.03 135.00 130.58 3gag s PRO 171 Ca 0.00 -0.48 0.04 0.00 0.02 0.00 0.00 61.00 60.57 3gag s PRO 171 Cb 0.00 -2.83 0.11 0.00 0.02 0.00 0.00 34.50 31.80 3gag s PRO 171 CO 0.00 0.66 1.07 0.27 -0.33 0.00 0.00 177.00 178.66 3gag n ASN 172 N 1.39 0.74 0.05 2.53 0.23 -1.26 -2.31 115.26 116.63 3gag n ASN 172 Ca -0.14 -2.01 0.13 0.00 -0.53 0.00 0.00 54.58 52.03 3gag n ASN 172 Cb 0.53 -0.11 0.51 0.00 -2.08 0.00 0.00 39.78 38.63 3gag n ASN 172 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gag n GLY 173 N 0.66 -1.53 3.59 4.83 0.00 -1.26 -4.71 105.19 106.77 3gag n GLY 173 Ca 0.04 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.05 3.23 -0.17 1.61 0.52 -0.98 -2.90 118.94 117.21 3gag s TRP 174 Ca 0.12 0.30 -0.19 0.00 0.02 0.00 0.00 56.10 56.35 3gag s TRP 174 Cb 0.15 -2.57 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 3gag s TRP 174 CO 0.53 -0.26 0.52 -1.21 0.02 0.00 0.00 176.95 176.55 3gag s GLU 175 N 2.03 4.25 0.10 4.98 2.02 0.10 -4.89 118.70 127.30 3gag s GLU 175 Ca 0.14 0.46 -0.31 0.00 0.02 0.00 0.00 54.97 55.28 3gag s GLU 175 Cb -0.16 -3.51 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 3gag s GLU 175 CO 0.10 -0.04 1.28 -1.25 0.02 0.00 0.00 175.26 175.38 3gag s PRO 176 N 1.27 4.39 -0.17 0.39 0.05 -1.26 -0.51 135.00 139.16 3gag s PRO 176 Ca 0.26 1.92 -0.05 0.00 0.05 0.00 0.00 61.00 63.18 3gag s PRO 176 Cb -0.15 -3.29 -0.09 0.00 0.05 0.00 0.00 34.50 31.02 3gag s PRO 176 CO 0.10 -0.32 -0.19 -0.89 0.05 0.00 0.00 177.00 175.75 3gag n ILE 177 N 3.74 0.95 -2.09 0.56 2.08 0.49 -4.89 119.36 120.20 3gag n ILE 177 Ca 0.09 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.11 3gag n ILE 177 Cb 0.44 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 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 -3.46 0.00 0.00 1.39 0.00 -0.90 -4.89 117.00 109.14 3gag n LEU 178 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.69 3gag n LEU 178 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.19 3gag n LEU 178 CO 0.08 0.00 0.00 -0.11 0.00 0.00 0.00 177.39 177.36 3gag n LEU 180 N 0.00 0.00 -4.75 -1.96 7.94 0.58 -0.62 117.00 118.18 3gag n LEU 180 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3gag n LEU 180 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3gag n LEU 180 CO 0.00 0.00 1.10 -2.84 -1.11 0.00 0.00 177.39 174.54 3gag s PRO 181 N 0.00 4.25 -0.05 1.96 0.02 -1.25 -1.00 135.00 138.93 3gag s PRO 181 Ca 0.00 2.35 0.04 0.00 0.02 0.00 0.00 61.00 63.40 3gag s PRO 181 Cb 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3gag s PRO 181 CO 0.00 -0.42 -0.16 0.08 -0.33 0.00 0.00 177.00 176.17 3gag s VAL 182 N -0.29 1.34 0.03 3.83 1.01 -0.29 -2.72 120.40 123.32 3gag s VAL 182 Ca 0.58 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3gag s VAL 182 Cb -0.43 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 34.80 3gag s VAL 182 CO 0.47 0.39 0.24 0.61 0.00 0.00 0.00 175.10 176.81 3gag n GLY 183 N 3.35 1.06 3.65 4.51 0.00 -0.35 -0.80 105.19 116.61 3gag n GLY 183 Ca -0.19 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.01 4.21 0.16 1.61 2.47 -1.26 -0.61 119.74 124.31 3gag s LYS 184 Ca 0.05 0.85 -0.31 0.00 -1.56 0.00 0.00 55.97 55.00 3gag s LYS 184 Cb -0.01 -3.61 -0.09 0.00 -1.46 0.00 0.00 37.83 32.66 3gag s LYS 184 CO 0.01 -0.40 1.50 0.00 0.16 0.00 0.00 175.35 176.62 3gag s ALA 185 N 2.44 3.71 -0.19 3.13 0.00 -1.26 -1.17 121.76 128.42 3gag s ALA 185 Ca 0.33 1.29 0.21 0.00 0.00 0.00 0.00 51.96 53.79 3gag s ALA 185 Cb -0.16 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.31 3gag s ALA 185 CO 0.09 -0.72 0.93 1.28 0.00 0.00 0.00 175.76 177.34 3gag n LEU 186 N 3.76 0.78 -3.78 0.00 4.77 0.07 -4.81 117.00 117.80 3gag n LEU 186 Ca 0.12 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 3gag n LEU 186 Cb 0.40 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.33 3gag n LEU 186 CO 0.60 -0.07 -0.30 -1.58 -1.33 0.00 0.00 177.39 174.72 3gag s GLN 187 N -3.23 0.02 0.68 3.23 0.74 -1.23 -5.07 119.66 114.80 3gag s GLN 187 Ca -0.02 0.23 -0.17 0.00 0.05 0.00 0.00 55.36 55.45 3gag s GLN 187 Cb 0.10 -0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.04 3gag s GLN 187 CO 0.81 -0.14 1.23 0.00 -0.55 0.00 0.00 175.29 176.64 3gag n ALA 188 N 3.98 0.76 -1.25 1.58 0.00 -1.26 -4.67 120.51 119.65 3gag n ALA 188 Ca -0.25 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 3gag n ALA 188 Cb 0.52 -2.28 0.17 0.00 0.00 0.00 0.00 19.45 17.86 3gag n ALA 188 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gag s GLY 189 N -1.54 1.57 0.47 0.00 0.00 -1.26 -5.00 107.32 101.55 3gag s GLY 189 Ca 0.80 -0.46 -0.09 0.00 0.00 0.00 0.00 44.72 44.98 3gag s GLY 189 CO 0.43 0.17 0.82 -1.31 0.00 0.00 0.00 173.10 173.21 3gag s ASN 190 N -3.63 6.37 0.53 1.64 0.01 -1.26 -5.03 114.94 113.57 3gag s ASN 190 Ca 0.65 1.10 -0.21 0.00 -0.71 0.00 0.00 52.86 53.70 3gag s ASN 190 Cb -0.17 -2.32 -0.07 0.00 0.41 0.00 0.00 41.25 39.09 3gag s ASN 190 CO 0.56 -0.55 0.95 -2.65 -1.51 0.00 0.00 177.10 173.91 3gag n PRO 191 N -1.93 1.07 -2.12 -0.60 -0.02 -1.26 -4.89 135.00 125.25 3gag n PRO 191 Ca 0.02 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3gag n PRO 191 Cb 0.54 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.44 3.18 -0.17 6.00 3.76 -1.26 -5.00 115.29 120.36 3gag s HIS 192 Ca 0.70 1.02 0.01 0.00 -0.15 0.00 0.00 55.06 56.64 3gag s HIS 192 Cb -0.47 -3.71 0.03 0.00 1.11 0.00 0.00 32.58 29.53 3gag s HIS 192 CO 0.52 -2.40 -0.15 0.08 -0.85 0.00 0.00 174.74 171.94 3gag s VAL 193 N 0.53 1.74 0.05 -0.90 1.01 -1.26 -5.12 120.40 116.45 3gag s VAL 193 Ca 0.61 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3gag s VAL 193 Cb -0.39 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3gag s VAL 193 CO 0.36 0.43 0.02 -0.13 0.00 0.00 0.00 175.10 175.78 3gag s ARG 194 N 1.41 0.62 0.50 2.72 1.81 -1.26 -5.14 118.95 119.60 3gag s ARG 194 Ca 0.04 -1.06 -0.23 0.00 -1.72 0.00 0.00 55.73 52.75 3gag s ARG 194 Cb -0.13 0.22 -0.06 0.00 -0.45 0.00 0.00 34.95 34.53 3gag s ARG 194 CO -0.11 -0.13 1.34 0.15 -0.68 0.00 0.00 175.30 175.86 3gag s LYS 195 N -3.51 3.45 0.75 3.54 1.02 -1.26 -4.99 119.74 118.73 3gag s LYS 195 Ca 0.03 2.19 -0.11 0.00 0.02 0.00 0.00 55.97 58.10 3gag s LYS 195 Cb 0.05 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 34.97 3gag s LYS 195 CO -0.09 -0.93 1.08 -1.54 -0.92 0.00 0.00 175.35 172.95 3gag s SER 196 N -0.90 4.80 0.27 2.83 1.04 -1.26 -4.90 113.70 115.58 3gag s SER 196 Ca 0.66 1.74 -0.01 0.00 0.48 0.00 0.00 55.95 58.83 3gag s SER 196 Cb -0.39 -2.50 0.50 0.00 0.10 0.00 0.00 66.02 63.73 3gag s SER 196 CO 0.48 -1.84 1.83 0.58 0.98 0.00 0.00 173.24 175.27 3gag h VAL 197 N -0.99 0.94 0.00 5.02 2.07 -1.96 -1.63 116.25 119.70 3gag h VAL 197 Ca -0.44 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3gag h VAL 197 Cb 1.22 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3gag h VAL 197 CO 0.53 0.18 0.00 0.00 0.02 0.00 0.00 177.57 178.30 3gag h ALA 198 N 1.51 1.00 0.00 1.67 0.00 -1.92 -0.20 119.26 121.32 3gag h ALA 198 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.14 3gag h ALA 198 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3gag h ALA 198 CO -0.25 0.00 -1.31 0.93 0.00 0.00 0.00 179.25 178.62 3gag h GLU 199 N 0.00 0.00 -0.00 0.00 5.08 -1.66 -3.40 114.58 114.60 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 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3gag h GLU 199 CO 0.00 0.66 -0.23 1.97 -1.00 0.00 0.00 179.01 180.41 3gag n PHE 200 N -3.15 0.00 -4.39 4.33 1.16 -0.85 -5.02 117.46 109.53 3gag n PHE 200 Ca -0.08 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.28 3gag n PHE 200 Cb 0.96 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.70 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 -1.37 1.39 -0.06 1.98 0.00 -0.15 -5.10 121.76 118.45 3gag s ALA 201 Ca 0.04 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.09 3gag s ALA 201 Cb 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 3gag s ALA 201 CO 0.22 0.27 -0.21 -2.00 0.00 0.00 0.00 175.76 174.04 3gag s GLU 202 N -1.31 2.37 -0.19 0.00 2.12 -1.26 -4.62 118.70 115.81 3gag s GLU 202 Ca 0.03 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.57 3gag s GLU 202 Cb -0.09 -1.95 -0.01 0.00 0.26 0.00 0.00 34.13 32.35 3gag s GLU 202 CO 0.02 0.26 -0.06 0.42 -0.54 0.00 0.00 175.26 175.35 3gag s ILE 203 N 0.10 3.36 -0.20 -3.70 1.01 -1.26 -5.10 121.20 115.41 3gag s ILE 203 Ca -0.08 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 3gag s ILE 203 Cb -0.14 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 3gag s ILE 203 CO 0.05 0.46 -0.04 -0.63 0.00 0.00 0.00 174.94 174.77 3gag s ILE 204 N 1.07 3.52 -0.45 2.92 1.01 -1.26 -5.30 121.20 122.71 3gag s ILE 204 Ca 0.01 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.23 3gag s ILE 204 Cb -0.15 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.78 3gag s ILE 204 CO -0.01 0.44 0.62 -0.62 0.00 0.00 0.00 174.94 175.37