#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5b s ARG 2 N 0.00 2.03 -0.20 0.00 3.52 -1.26 -4.91 118.95 118.12 2a5b s ARG 2 Ca 0.00 -0.48 -0.29 0.00 -0.13 0.00 0.00 55.73 54.83 2a5b s ARG 2 Cb 0.00 -5.05 -0.01 0.00 -1.56 0.00 0.00 34.95 28.33 2a5b s ARG 2 CO 0.00 -4.30 1.22 0.21 -0.81 0.00 0.00 175.30 171.63 2a5b s LYS 3 N 7.52 4.19 -0.12 5.12 2.47 -1.26 -4.69 119.74 132.97 2a5b s LYS 3 Ca 0.76 1.54 -0.27 0.00 -1.56 0.00 0.00 55.97 56.44 2a5b s LYS 3 Cb -0.05 -3.76 -0.02 0.00 -1.46 0.00 0.00 37.83 32.54 2a5b s LYS 3 CO 0.10 -0.75 0.91 0.00 0.16 0.00 0.00 175.35 175.76 2a5b s SER 5 N 1.08 1.44 0.16 0.00 0.15 -1.26 -4.49 113.70 110.78 2a5b s SER 5 Ca 0.44 -0.22 0.27 0.00 0.70 0.00 0.00 55.95 57.13 2a5b s SER 5 Cb -0.18 -0.21 0.85 0.00 -1.71 0.00 0.00 66.02 64.78 2a5b s SER 5 CO 0.16 0.14 1.77 0.18 1.20 0.00 0.00 173.24 176.69 2a5b n LEU 6 N 2.88 0.65 -4.74 3.45 4.77 -1.26 -4.81 117.00 117.94 2a5b n LEU 6 Ca -0.15 0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 2a5b n LEU 6 Cb 0.55 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2a5b n LEU 6 CO 0.25 -0.13 0.84 -0.89 -1.33 0.00 0.00 177.39 176.12 2a5b s THR 7 N -3.08 3.75 -3.44 -5.08 2.01 -1.26 -4.60 115.64 103.94 2a5b s THR 7 Ca 0.11 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.58 2a5b s THR 7 Cb 0.14 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2a5b s THR 7 CO 0.59 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 2a5b n GLY 8 N 2.21 0.82 3.23 4.40 0.00 0.11 -4.97 105.19 110.98 2a5b n GLY 8 Ca 0.04 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 2a5b n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5b s LYS 9 N -1.38 3.11 0.14 1.61 1.02 -1.26 -1.33 119.74 121.65 2a5b s LYS 9 Ca 0.00 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.24 2a5b s LYS 9 Cb 0.00 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2a5b s LYS 9 CO 0.00 0.07 -0.15 -1.58 -0.92 0.00 0.00 175.35 172.77 2a5b s TRP 10 N 0.63 1.50 0.21 3.18 0.52 0.13 -0.29 118.94 124.82 2a5b s TRP 10 Ca -0.10 -0.55 0.01 0.00 0.02 0.00 0.00 56.10 55.48 2a5b s TRP 10 Cb -0.16 -0.77 -0.05 0.00 -1.15 0.00 0.00 33.47 31.34 2a5b s TRP 10 CO 0.02 0.19 0.06 -0.08 0.02 0.00 0.00 176.95 177.17 2a5b s THR 11 N -2.21 0.47 0.39 2.01 -1.32 -0.28 -0.24 115.64 114.46 2a5b s THR 11 Ca 0.11 -1.98 0.05 0.00 -1.21 0.00 0.00 61.69 58.67 2a5b s THR 11 Cb -0.05 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.56 2a5b s THR 11 CO 0.04 -0.22 0.20 0.54 -2.21 0.00 0.00 174.62 172.97 2a5b s ASN 12 N -3.21 2.45 0.60 8.08 2.20 -0.72 -0.66 114.94 123.69 2a5b s ASN 12 Ca 0.31 -1.75 0.39 0.00 -0.94 0.00 0.00 52.86 50.88 2a5b s ASN 12 Cb 0.07 0.59 1.97 0.00 -2.00 0.00 0.00 41.25 41.88 2a5b s ASN 12 CO 0.09 -1.02 2.19 -2.24 -2.94 0.00 0.00 177.10 173.18 2a5b h ASP 13 N 1.88 0.00 0.04 3.54 2.03 -1.86 -1.42 116.42 120.62 2a5b h ASP 13 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2a5b h ASP 13 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2a5b h ASP 13 CO 0.47 0.00 -0.47 0.18 -1.03 0.00 0.00 179.24 178.38 2a5b n LEU 14 N -3.03 1.76 0.00 0.15 4.77 -1.26 -4.99 117.00 114.40 2a5b n LEU 14 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2a5b n LEU 14 Cb 0.16 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2a5b n LEU 14 CO 0.22 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2a5b n GLY 15 N 1.41 0.73 3.78 -0.72 0.00 -0.54 -4.89 105.19 104.97 2a5b n GLY 15 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2a5b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a5b s SER 16 N -2.23 6.04 0.22 1.61 0.01 -1.26 -4.71 113.70 113.37 2a5b s SER 16 Ca 0.00 2.09 0.09 0.00 1.31 0.00 0.00 55.95 59.44 2a5b s SER 16 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2a5b s SER 16 CO 0.00 -1.00 -0.07 0.20 0.41 0.00 0.00 173.24 172.78 2a5b s ASN 17 N -1.80 4.32 -0.10 2.44 0.01 0.70 -1.75 114.94 118.76 2a5b s ASN 17 Ca 0.69 -0.63 -0.08 0.00 -0.71 0.00 0.00 52.86 52.14 2a5b s ASN 17 Cb -0.21 -0.74 0.03 0.00 0.41 0.00 0.00 41.25 40.73 2a5b s ASN 17 CO 0.25 0.06 0.26 -0.32 -1.51 0.00 0.00 177.10 175.84 2a5b s MET 18 N -3.17 0.28 -0.08 -0.60 -2.45 0.67 -0.15 119.30 113.80 2a5b s MET 18 Ca 0.28 0.43 0.05 0.00 -1.25 0.00 0.00 55.69 55.19 2a5b s MET 18 Cb -0.08 0.06 -0.00 0.00 1.25 0.00 0.00 34.83 36.06 2a5b s MET 18 CO 0.17 -0.08 -0.24 0.99 1.05 0.00 0.00 175.02 176.91 2a5b s THR 19 N 0.51 1.99 -0.04 10.11 2.01 0.07 0.18 115.64 130.48 2a5b s THR 19 Ca -0.03 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.02 2a5b s THR 19 Cb -0.05 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 2a5b s THR 19 CO -0.03 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.63 2a5b s ILE 20 N 0.11 1.59 0.00 1.82 1.01 -0.44 0.30 121.20 125.59 2a5b s ILE 20 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2a5b s ILE 20 Cb -0.16 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.97 2a5b s ILE 20 CO 0.06 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2a5b n GLY 21 N 2.91 1.20 3.75 6.18 0.00 -0.39 -0.72 105.19 118.12 2a5b n GLY 21 Ca -0.17 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 2a5b n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5b s ALA 22 N -3.70 3.34 -0.33 4.61 0.00 -1.26 -4.29 121.76 120.12 2a5b s ALA 22 Ca 0.00 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 2a5b s ALA 22 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2a5b s ALA 22 CO 0.00 0.17 0.58 0.08 0.00 0.00 0.00 175.76 176.59 2a5b s VAL 23 N -1.11 4.96 0.34 0.00 1.01 -1.26 -4.56 120.40 119.79 2a5b s VAL 23 Ca 0.42 0.63 -0.06 0.00 0.00 0.00 0.00 61.98 62.97 2a5b s VAL 23 Cb -0.26 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.21 2a5b s VAL 23 CO 0.33 -0.19 0.28 -0.46 0.00 0.00 0.00 175.10 175.06 2a5b n ASN 24 N 5.85 -1.48 0.10 3.32 0.23 -0.95 -4.88 115.26 117.46 2a5b n ASN 24 Ca -0.03 -0.61 0.12 0.00 -0.53 0.00 0.00 54.58 53.53 2a5b n ASN 24 Cb 0.49 -0.27 0.26 0.00 -2.08 0.00 0.00 39.78 38.18 2a5b n ASN 24 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2a5b h SER 25 N -1.60 0.00 -0.33 0.53 4.64 -1.97 -2.63 113.55 112.19 2a5b h SER 25 Ca -0.11 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2a5b h SER 25 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2a5b h SER 25 CO 0.07 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 2a5b n ARG 26 N -2.35 1.87 -0.49 4.77 1.74 -1.26 -4.95 116.66 115.99 2a5b n ARG 26 Ca 0.04 -1.23 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 2a5b n ARG 26 Cb 0.46 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 2a5b n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a5b n GLY 27 N 0.96 1.69 3.79 -0.13 0.00 -0.99 -4.85 105.19 105.66 2a5b n GLY 27 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2a5b n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a5b s GLU 28 N -0.12 3.06 0.05 1.61 2.02 -1.26 -1.01 118.70 123.05 2a5b s GLU 28 Ca 0.00 1.31 -0.27 0.00 0.02 0.00 0.00 54.97 56.03 2a5b s GLU 28 Cb 0.00 -1.99 0.09 0.00 0.10 0.00 0.00 34.13 32.33 2a5b s GLU 28 CO 0.00 -1.03 0.85 -0.59 0.02 0.00 0.00 175.26 174.51 2a5b s PHE 29 N -2.37 -0.34 0.08 1.61 -0.12 -0.95 -2.24 117.98 113.64 2a5b s PHE 29 Ca 0.66 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.70 2a5b s PHE 29 Cb -0.19 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2a5b s PHE 29 CO 0.39 -0.65 -0.05 0.99 -0.05 0.00 0.00 175.22 175.85 2a5b s THR 30 N -3.27 0.47 0.06 -4.49 2.01 -1.26 -1.53 115.64 107.63 2a5b s THR 30 Ca 0.05 -1.88 -0.04 0.00 0.31 0.00 0.00 61.69 60.14 2a5b s THR 30 Cb -0.01 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.90 2a5b s THR 30 CO -0.08 -0.93 0.20 0.61 -0.69 0.00 0.00 174.62 173.73 2a5b n GLY 31 N 0.03 1.41 3.13 4.40 0.00 -0.76 -1.26 105.19 112.13 2a5b n GLY 31 Ca -0.13 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 2a5b n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5b s THR 32 N -2.61 0.92 -0.10 2.61 2.01 0.15 -1.63 115.64 116.99 2a5b s THR 32 Ca 0.04 -1.23 -0.00 0.00 0.31 0.00 0.00 61.69 60.81 2a5b s THR 32 Cb -0.01 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.61 2a5b s THR 32 CO 0.02 -0.28 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.14 2a5b s TYR 33 N -1.31 1.33 -0.09 4.92 6.14 0.46 -0.75 117.35 128.05 2a5b s TYR 33 Ca -0.05 -0.62 0.04 0.00 0.64 0.00 0.00 57.07 57.08 2a5b s TYR 33 Cb -0.10 -1.14 -0.01 0.00 0.42 0.00 0.00 41.96 41.14 2a5b s TYR 33 CO 0.02 -0.46 -0.21 0.99 0.64 0.00 0.00 175.55 176.53 2a5b s THR 34 N 1.66 2.35 0.06 4.34 2.01 0.78 -1.42 115.64 125.42 2a5b s THR 34 Ca 0.03 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2a5b s THR 34 Cb -0.13 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2a5b s THR 34 CO -0.07 0.56 -0.10 0.28 -0.69 0.00 0.00 174.62 174.60 2a5b s THR 35 N 0.09 0.79 -0.59 -0.82 -1.32 -1.16 -0.21 115.64 112.41 2a5b s THR 35 Ca -0.10 -1.27 -0.17 0.00 -1.21 0.00 0.00 61.69 58.94 2a5b s THR 35 Cb -0.16 -0.91 0.13 0.00 -1.51 0.00 0.00 72.50 70.05 2a5b s THR 35 CO 0.06 -0.37 0.63 0.00 -2.21 0.00 0.00 174.62 172.72 2a5b s ALA 36 N -1.59 3.57 -0.90 11.08 0.00 -1.26 -3.84 121.76 128.82 2a5b s ALA 36 Ca -0.04 -2.47 -0.09 0.00 0.00 0.00 0.00 51.96 49.36 2a5b s ALA 36 Cb -0.08 -3.42 0.23 0.00 0.00 0.00 0.00 23.12 19.84 2a5b s ALA 36 CO 0.01 -2.21 0.83 0.08 0.00 0.00 0.00 175.76 174.47 2a5b s VAL 37 N 2.00 5.28 -3.64 0.00 1.01 -1.25 -4.90 120.40 118.90 2a5b s VAL 37 Ca 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 61.98 59.00 2a5b s VAL 37 Cb -0.25 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2a5b s VAL 37 CO 0.03 -1.07 0.00 0.41 0.00 0.00 0.00 175.10 174.47 2a5b n THR 38 N 3.24 0.00 0.29 3.92 -1.04 -1.26 -4.62 114.28 114.81 2a5b n THR 38 Ca 0.17 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.36 2a5b n THR 38 Cb 0.42 0.00 0.87 0.00 -1.82 0.00 0.00 70.33 69.80 2a5b n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a5b h ALA 39 N 0.00 1.44 -2.80 2.41 0.00 -1.95 -3.46 119.26 114.89 2a5b h ALA 39 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a5b h ALA 39 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2a5b h ALA 39 CO 0.00 -0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.18 2a5b n THR 40 N -3.12 -1.87 0.00 0.00 -2.24 -1.26 -4.96 114.28 100.84 2a5b n THR 40 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2a5b n THR 40 Cb 0.36 -3.73 0.00 0.00 -2.10 0.00 0.00 70.33 64.86 2a5b n THR 40 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2a5b n SER 41 N -0.19 0.00 0.00 3.42 3.41 -1.26 -5.07 113.62 113.93 2a5b n SER 41 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2a5b n SER 41 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2a5b n SER 41 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2a5b n ASN 42 N 0.00 0.00 -4.60 4.04 6.94 -1.26 -5.02 115.26 115.37 2a5b n ASN 42 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 2a5b n ASN 42 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 2a5b n ASN 42 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2a5b s GLU 43 N 0.00 3.78 0.10 -3.83 2.12 -1.26 -5.03 118.70 114.57 2a5b s GLU 43 Ca 0.00 0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.86 2a5b s GLU 43 Cb 0.00 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 2a5b s GLU 43 CO 0.00 -1.01 0.08 0.42 -0.54 0.00 0.00 175.26 174.20 2a5b s ILE 44 N 3.55 4.44 0.00 -3.70 1.09 -1.26 -3.76 121.20 121.57 2a5b s ILE 44 Ca 0.38 -0.86 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 2a5b s ILE 44 Cb -0.11 -3.16 -0.00 0.00 -1.06 0.00 0.00 42.46 38.12 2a5b s ILE 44 CO 0.21 0.08 -0.01 -0.54 -0.10 0.00 0.00 174.94 174.58 2a5b s LYS 45 N -2.51 0.09 -0.14 2.79 1.02 -1.25 -5.02 119.74 114.72 2a5b s LYS 45 Ca 0.29 -0.15 -0.04 0.00 0.02 0.00 0.00 55.97 56.09 2a5b s LYS 45 Cb -0.12 0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.17 2a5b s LYS 45 CO 0.22 -0.01 0.01 -1.21 -0.92 0.00 0.00 175.35 173.44 2a5b s GLU 46 N -0.34 3.53 0.03 1.68 2.02 -1.26 -3.00 118.70 121.37 2a5b s GLU 46 Ca -0.04 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.57 2a5b s GLU 46 Cb -0.02 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 2a5b s GLU 46 CO -0.00 0.41 -0.12 -1.12 0.02 0.00 0.00 175.26 174.45 2a5b s SER 47 N -0.07 1.37 0.50 -0.19 0.01 -0.51 -4.66 113.70 110.15 2a5b s SER 47 Ca 0.04 -0.42 -0.20 0.00 1.31 0.00 0.00 55.95 56.68 2a5b s SER 47 Cb -0.13 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 65.95 2a5b s SER 47 CO 0.02 -0.00 1.06 -2.84 0.41 0.00 0.00 173.24 171.89 2a5b s PRO 48 N -1.06 3.70 0.14 12.44 0.02 -1.26 -0.40 135.00 148.58 2a5b s PRO 48 Ca -0.00 1.44 0.07 0.00 0.02 0.00 0.00 61.00 62.53 2a5b s PRO 48 Cb -0.07 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 2a5b s PRO 48 CO 0.01 -0.53 -0.16 -0.48 -0.33 0.00 0.00 177.00 175.51 2a5b s LEU 49 N -3.52 2.41 -0.07 -5.54 -0.00 -0.64 -2.46 118.68 108.85 2a5b s LEU 49 Ca 0.68 -0.82 -0.04 0.00 -0.00 0.00 0.00 54.13 53.95 2a5b s LEU 49 Cb -0.19 -0.70 0.03 0.00 -0.00 0.00 0.00 46.19 45.34 2a5b s LEU 49 CO 0.22 -0.08 0.17 -1.00 -0.00 0.00 0.00 176.35 175.66 2a5b s HIS 50 N -2.01 -0.19 0.00 3.48 3.76 -0.94 -1.84 115.29 117.55 2a5b s HIS 50 Ca 0.11 0.50 -0.00 0.00 -0.15 0.00 0.00 55.06 55.53 2a5b s HIS 50 Cb -0.06 0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.64 2a5b s HIS 50 CO 0.05 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.21 2a5b n GLY 51 N 3.64 2.44 3.01 -2.22 0.00 -0.58 -1.39 105.19 110.09 2a5b n GLY 51 Ca -0.20 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 2a5b n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5b s THR 52 N -2.77 0.05 0.01 2.61 -4.23 -0.90 -2.25 115.64 108.17 2a5b s THR 52 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2a5b s THR 52 Cb -0.00 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 2a5b s THR 52 CO 0.00 -0.24 0.08 -1.83 -0.54 0.00 0.00 174.62 172.09 2a5b s GLU 53 N -0.76 3.02 0.04 3.99 -1.05 -0.18 -1.94 118.70 121.82 2a5b s GLU 53 Ca -0.08 -0.53 -0.31 0.00 -0.15 0.00 0.00 54.97 53.90 2a5b s GLU 53 Cb -0.05 -2.83 -0.06 0.00 -0.44 0.00 0.00 34.13 30.75 2a5b s GLU 53 CO 0.00 0.63 1.37 1.21 0.95 0.00 0.00 175.26 179.42 2a5b s ASN 54 N -1.85 6.88 0.00 0.83 3.84 -0.50 -4.50 114.94 119.64 2a5b s ASN 54 Ca 0.24 2.15 0.20 0.00 0.21 0.00 0.00 52.86 55.66 2a5b s ASN 54 Cb -0.12 -2.57 0.15 0.00 -0.55 0.00 0.00 41.25 38.16 2a5b s ASN 54 CO 0.15 -0.66 1.11 0.35 -2.79 0.00 0.00 177.10 175.26 2a5b n THR 55 N 4.36 0.00 -1.61 -5.21 -2.24 -1.26 -4.64 114.28 103.67 2a5b n THR 55 Ca 0.12 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 2a5b n THR 55 Cb 0.44 1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 2a5b n THR 55 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2a5b n ILE 56 N 1.06 0.46 -2.26 2.28 2.08 -1.26 -1.66 119.36 120.06 2a5b n ILE 56 Ca 0.11 -0.36 -0.09 0.00 0.56 0.00 0.00 62.75 62.97 2a5b n ILE 56 Cb 0.49 -2.46 0.00 0.00 -0.75 0.00 0.00 39.64 36.92 2a5b n ILE 56 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2a5b n ASN 57 N 10.42 -3.22 -2.81 4.38 3.02 -1.26 -4.36 115.26 121.44 2a5b n ASN 57 Ca 0.27 -0.03 -0.08 0.00 -0.03 0.00 0.00 54.58 54.71 2a5b n ASN 57 Cb 0.43 -2.42 -0.02 0.00 -0.61 0.00 0.00 39.78 37.15 2a5b n ASN 57 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2a5b n LYS 58 N -1.93 -0.97 -1.72 3.52 4.76 -0.66 -4.76 118.16 116.39 2a5b n LYS 58 Ca -0.09 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 2a5b n LYS 58 Cb 0.58 -0.96 -0.00 0.00 -1.84 0.00 0.00 35.03 32.81 2a5b n LYS 58 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2a5b n ARG 59 N -1.79 2.22 -1.90 1.97 5.12 -1.26 -4.98 116.66 116.03 2a5b n ARG 59 Ca -0.06 0.78 -0.38 0.00 -1.93 0.00 0.00 57.85 56.26 2a5b n ARG 59 Cb 0.16 -2.43 0.03 0.00 -1.16 0.00 0.00 32.46 29.06 2a5b n ARG 59 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2a5b s THR 60 N -1.13 2.33 -0.89 0.55 -4.23 -1.26 -4.00 115.64 107.01 2a5b s THR 60 Ca 0.56 0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 61.30 2a5b s THR 60 Cb -0.53 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 2a5b s THR 60 CO 0.62 -0.01 0.75 0.00 -0.54 0.00 0.00 174.62 175.44 2a5b n GLN 61 N -0.93 -4.02 -1.71 3.99 6.02 -1.26 -4.96 117.38 114.51 2a5b n GLN 61 Ca 0.10 0.66 -0.30 0.00 -0.01 0.00 0.00 57.00 57.45 2a5b n GLN 61 Cb 0.46 -5.02 0.05 0.00 1.02 0.00 0.00 30.24 26.75 2a5b n GLN 61 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a5b s PRO 62 N -4.73 2.79 0.54 -1.09 0.04 -1.26 -4.70 135.00 126.58 2a5b s PRO 62 Ca 0.12 0.69 -0.06 0.00 0.04 0.00 0.00 61.00 61.78 2a5b s PRO 62 Cb -0.02 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2a5b s PRO 62 CO 0.57 -1.14 0.86 0.95 0.04 0.00 0.00 177.00 178.28 2a5b s THR 63 N -3.19 4.50 0.25 1.26 -4.23 -1.26 -2.89 115.64 110.08 2a5b s THR 63 Ca 0.58 0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 61.18 2a5b s THR 63 Cb -0.13 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 69.98 2a5b s THR 63 CO 0.54 -0.78 0.58 0.72 -0.54 0.00 0.00 174.62 175.13 2a5b s PHE 64 N -2.89 0.06 0.05 3.99 -0.12 -0.24 -1.41 117.98 117.43 2a5b s PHE 64 Ca 0.51 -0.46 -0.12 0.00 -0.05 0.00 0.00 56.93 56.81 2a5b s PHE 64 Cb -0.10 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.72 2a5b s PHE 64 CO 0.46 -1.07 0.26 0.20 -0.05 0.00 0.00 175.22 175.02 2a5b s GLY 65 N -2.95 -0.05 0.11 1.99 0.00 -0.82 -2.17 107.32 103.43 2a5b s GLY 65 Ca 0.16 -0.18 -0.22 0.00 0.00 0.00 0.00 44.72 44.47 2a5b s GLY 65 CO 0.06 -0.38 0.55 -0.11 0.00 0.00 0.00 173.10 173.22 2a5b s PHE 66 N -2.84 -0.47 -0.14 1.90 -0.12 0.08 -2.11 117.98 114.28 2a5b s PHE 66 Ca -0.03 0.35 -0.00 0.00 -0.05 0.00 0.00 56.93 57.20 2a5b s PHE 66 Cb 0.00 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 2a5b s PHE 66 CO -0.05 -0.76 -0.13 0.99 -0.05 0.00 0.00 175.22 175.22 2a5b s THR 67 N -3.27 3.01 -0.24 -4.49 2.01 -0.48 -0.57 115.64 111.60 2a5b s THR 67 Ca -0.01 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 2a5b s THR 67 Cb -0.00 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 2a5b s THR 67 CO -0.08 0.52 0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 2a5b s VAL 68 N 0.51 4.29 -0.92 3.82 1.01 0.44 -2.21 120.40 127.34 2a5b s VAL 68 Ca -0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 2a5b s VAL 68 Cb -0.16 -3.00 0.24 0.00 0.00 0.00 0.00 36.38 33.46 2a5b s VAL 68 CO 0.04 0.35 0.89 0.21 0.00 0.00 0.00 175.10 176.59 2a5b s ASN 69 N 1.53 6.94 0.05 3.32 3.04 -1.03 -1.75 114.94 127.05 2a5b s ASN 69 Ca 0.06 -2.97 -0.37 0.00 0.04 0.00 0.00 52.86 49.62 2a5b s ASN 69 Cb -0.15 -2.21 -0.16 0.00 -1.54 0.00 0.00 41.25 37.18 2a5b s ASN 69 CO 0.03 -0.49 1.41 0.79 -3.04 0.00 0.00 177.10 175.81 2a5b n TRP 70 N 3.62 1.66 0.82 0.43 7.02 -1.21 -4.33 117.44 125.46 2a5b n TRP 70 Ca 0.17 0.58 0.12 0.00 -1.02 0.00 0.00 57.50 57.36 2a5b n TRP 70 Cb 0.45 -2.37 0.29 0.00 -2.42 0.00 0.00 31.31 27.26 2a5b n TRP 70 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2a5b n LYS 71 N 2.97 0.12 -0.12 -0.99 4.01 -1.26 -4.02 118.16 118.87 2a5b n LYS 71 Ca 0.19 0.05 0.04 0.00 -0.51 0.00 0.00 58.31 58.07 2a5b n LYS 71 Cb 0.20 -1.59 0.10 0.00 -0.51 0.00 0.00 35.03 33.23 2a5b n LYS 71 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 2a5b n PHE 72 N -1.77 0.31 -3.92 2.13 1.16 -1.26 -5.02 117.46 109.08 2a5b n PHE 72 Ca 0.05 -0.51 -0.08 0.00 -1.87 0.00 0.00 57.45 55.04 2a5b n PHE 72 Cb 0.38 -0.04 -0.03 0.00 -1.61 0.00 0.00 39.48 38.18 2a5b n PHE 72 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2a5b s SER 73 N -1.02 -0.11 0.00 5.98 1.04 -1.26 -5.02 113.70 113.30 2a5b s SER 73 Ca 0.15 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.90 2a5b s SER 73 Cb 0.08 0.68 0.56 0.00 0.10 0.00 0.00 66.02 67.45 2a5b s SER 73 CO 0.10 -1.29 1.41 -0.62 0.98 0.00 0.00 173.24 173.82 2a5b n GLU 74 N -0.44 1.60 -2.01 4.02 1.02 -1.26 -4.72 120.64 118.83 2a5b n GLU 74 Ca -0.03 -0.91 -0.29 0.00 -0.02 0.00 0.00 57.16 55.91 2a5b n GLU 74 Cb 0.60 -1.30 0.06 0.00 -0.02 0.00 0.00 31.44 30.78 2a5b n GLU 74 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2a5b s SER 75 N -1.31 5.17 -0.01 1.62 0.01 -1.26 -4.45 113.70 113.47 2a5b s SER 75 Ca 0.25 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.42 2a5b s SER 75 Cb 0.13 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2a5b s SER 75 CO 0.19 -1.46 -0.04 -0.89 0.41 0.00 0.00 173.24 171.46 2a5b s THR 76 N -3.34 0.35 0.06 1.44 2.01 -0.97 -3.33 115.64 111.87 2a5b s THR 76 Ca 0.59 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.51 2a5b s THR 76 Cb -0.11 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2a5b s THR 76 CO 0.49 0.11 -0.26 -0.89 -0.69 0.00 0.00 174.62 173.39 2a5b s THR 77 N 0.04 2.09 0.04 -0.82 2.01 -0.72 -0.02 115.64 118.26 2a5b s THR 77 Ca 0.00 -1.45 0.06 0.00 0.31 0.00 0.00 61.69 60.62 2a5b s THR 77 Cb -0.03 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 2a5b s THR 77 CO -0.00 0.27 -0.18 0.68 -0.69 0.00 0.00 174.62 174.70 2a5b s VAL 78 N -0.87 1.46 0.01 3.82 -7.23 -0.63 -0.42 120.40 116.54 2a5b s VAL 78 Ca 0.11 -1.11 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 2a5b s VAL 78 Cb -0.10 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 2a5b s VAL 78 CO 0.03 0.14 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.40 2a5b s PHE 79 N -0.80 1.79 0.00 2.82 0.40 0.26 -0.83 117.98 121.63 2a5b s PHE 79 Ca 0.05 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2a5b s PHE 79 Cb -0.08 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 2a5b s PHE 79 CO 0.01 0.02 0.04 -0.08 0.70 0.00 0.00 175.22 175.92 2a5b s THR 80 N -0.62 0.08 0.00 0.64 -1.32 0.51 -0.74 115.64 114.19 2a5b s THR 80 Ca 0.07 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 2a5b s THR 80 Cb -0.08 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 2a5b s THR 80 CO 0.00 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 2a5b n GLY 81 N 1.90 0.98 3.07 6.08 0.00 -0.92 0.08 105.19 116.38 2a5b n GLY 81 Ca -0.21 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2a5b n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5b s GLN 82 N 1.82 0.22 -0.60 1.61 0.74 -0.83 -1.07 119.66 121.54 2a5b s GLN 82 Ca 0.00 0.26 -0.23 0.00 0.05 0.00 0.00 55.36 55.43 2a5b s GLN 82 Cb 0.00 0.11 0.05 0.00 1.10 0.00 0.00 33.01 34.27 2a5b s GLN 82 CO 0.00 -0.03 0.95 0.00 -0.55 0.00 0.00 175.29 175.66 2a5b s PHE 84 N 4.01 3.64 -0.85 0.00 0.40 0.24 -4.01 117.98 121.42 2a5b s PHE 84 Ca 0.27 0.76 -0.17 0.00 -0.60 0.00 0.00 56.93 57.19 2a5b s PHE 84 Cb -0.14 -2.16 0.17 0.00 0.51 0.00 0.00 43.02 41.39 2a5b s PHE 84 CO 0.15 0.63 0.93 0.42 0.70 0.00 0.00 175.22 178.05 2a5b s ILE 85 N -0.85 5.12 1.11 0.64 1.01 -1.26 -1.60 121.20 125.37 2a5b s ILE 85 Ca 0.19 -1.91 -0.19 0.00 0.00 0.00 0.00 60.65 58.75 2a5b s ILE 85 Cb -0.14 -4.62 0.28 0.00 0.01 0.00 0.00 42.46 37.99 2a5b s ILE 85 CO 0.08 -1.26 0.84 -0.90 0.00 0.00 0.00 174.94 173.70 2a5b n ASP 86 N 5.41 -2.70 0.00 3.58 5.75 -1.24 -4.95 116.55 122.40 2a5b n ASP 86 Ca 0.16 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 2a5b n ASP 86 Cb 0.48 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2a5b n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2a5b n ARG 87 N -4.66 0.00 -2.87 0.11 0.63 -1.26 -4.76 116.66 103.84 2a5b n ARG 87 Ca 0.12 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.93 2a5b n ARG 87 Cb 0.50 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.42 2a5b n ARG 87 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2a5b n ASN 88 N 0.00 -2.12 -1.19 6.15 5.15 -1.26 -4.80 115.26 117.19 2a5b n ASN 88 Ca 0.00 -3.12 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 2a5b n ASN 88 Cb 0.00 1.17 0.00 0.00 -0.53 0.00 0.00 39.78 40.42 2a5b n ASN 88 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2a5b n GLY 89 N 1.68 -2.29 3.11 8.20 0.00 -1.26 -5.17 105.19 109.46 2a5b n GLY 89 Ca 0.13 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 2a5b n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a5b n LYS 90 N 0.20 -3.64 -1.82 1.61 4.81 -1.26 -4.74 118.16 113.31 2a5b n LYS 90 Ca 0.00 -1.51 -0.33 0.00 -0.87 0.00 0.00 58.31 55.60 2a5b n LYS 90 Cb 0.00 -1.60 0.04 0.00 0.02 0.00 0.00 35.03 33.49 2a5b n LYS 90 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2a5b s GLU 91 N -5.15 2.88 -0.17 1.64 2.02 -1.26 -3.64 118.70 115.04 2a5b s GLU 91 Ca 0.64 1.40 -0.09 0.00 0.02 0.00 0.00 54.97 56.94 2a5b s GLU 91 Cb -0.08 -1.96 0.06 0.00 0.10 0.00 0.00 34.13 32.25 2a5b s GLU 91 CO 0.51 -1.18 0.40 0.54 0.02 0.00 0.00 175.26 175.54 2a5b s VAL 92 N -2.29 -0.03 -0.27 2.63 0.11 -0.63 -4.31 120.40 115.62 2a5b s VAL 92 Ca 0.67 0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.71 2a5b s VAL 92 Cb -0.21 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 2a5b s VAL 92 CO 0.40 0.04 0.20 -0.76 -3.33 0.00 0.00 175.10 171.65 2a5b s LEU 93 N 1.38 4.04 -0.29 2.54 1.43 -0.58 -0.59 118.68 126.60 2a5b s LEU 93 Ca -0.09 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 2a5b s LEU 93 Cb -0.08 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2a5b s LEU 93 CO -0.12 -0.05 0.33 -0.54 0.23 0.00 0.00 176.35 176.20 2a5b s LYS 94 N 1.68 3.86 0.24 1.70 -0.14 -0.75 -1.25 119.74 125.08 2a5b s LYS 94 Ca 0.08 -0.18 0.09 0.00 -1.36 0.00 0.00 55.97 54.60 2a5b s LYS 94 Cb -0.16 -3.70 -0.05 0.00 -1.68 0.00 0.00 37.83 32.24 2a5b s LYS 94 CO 0.10 -0.33 -0.16 0.95 -0.76 0.00 0.00 175.35 175.15 2a5b s THR 95 N 1.98 2.00 0.11 2.17 -4.23 0.11 -1.97 115.64 115.81 2a5b s THR 95 Ca 0.12 -2.27 0.10 0.00 -1.18 0.00 0.00 61.69 58.46 2a5b s THR 95 Cb -0.16 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2a5b s THR 95 CO 0.11 -0.50 -0.24 -0.04 -0.54 0.00 0.00 174.62 173.41 2a5b s MET 96 N -3.60 1.30 0.09 3.99 -1.94 0.11 -1.81 119.30 117.44 2a5b s MET 96 Ca 0.26 -1.26 0.03 0.00 -1.71 0.00 0.00 55.69 53.01 2a5b s MET 96 Cb -0.02 -1.69 -0.04 0.00 2.01 0.00 0.00 34.83 35.09 2a5b s MET 96 CO 0.10 0.40 -0.09 1.67 -0.01 0.00 0.00 175.02 177.10 2a5b s TRP 97 N -1.09 0.95 -0.13 -0.03 1.48 -0.07 -0.36 118.94 119.68 2a5b s TRP 97 Ca 0.11 -0.71 0.02 0.00 -1.06 0.00 0.00 56.10 54.46 2a5b s TRP 97 Cb -0.10 -0.53 0.01 0.00 -1.16 0.00 0.00 33.47 31.69 2a5b s TRP 97 CO 0.05 -0.06 -0.19 -0.51 -4.06 0.00 0.00 176.95 172.18 2a5b s LEU 98 N -2.49 1.97 -0.34 -4.66 1.43 -0.01 -2.63 118.68 111.94 2a5b s LEU 98 Ca 0.05 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 2a5b s LEU 98 Cb -0.02 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.90 2a5b s LEU 98 CO -0.01 0.05 0.16 -0.22 0.23 0.00 0.00 176.35 176.55 2a5b s LEU 99 N 0.92 4.36 -0.25 1.79 2.96 0.59 -1.60 118.68 127.45 2a5b s LEU 99 Ca -0.06 -0.84 -0.18 0.00 -0.22 0.00 0.00 54.13 52.84 2a5b s LEU 99 Cb -0.15 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2a5b s LEU 99 CO -0.03 -0.29 0.50 -0.60 -1.32 0.00 0.00 176.35 174.61 2a5b s ARG 100 N 1.54 4.09 0.38 1.98 6.06 0.97 -1.16 118.95 132.81 2a5b s ARG 100 Ca 0.02 0.31 -0.00 0.00 -2.50 0.00 0.00 55.73 53.56 2a5b s ARG 100 Cb -0.18 -3.63 -0.03 0.00 0.06 0.00 0.00 34.95 31.17 2a5b s ARG 100 CO 0.05 -0.30 0.60 -1.12 -2.50 0.00 0.00 175.30 172.03 2a5b s SER 101 N 1.47 6.22 -0.03 -2.12 0.01 0.15 -2.29 113.70 117.10 2a5b s SER 101 Ca 0.21 0.49 -0.26 0.00 1.31 0.00 0.00 55.95 57.70 2a5b s SER 101 Cb -0.16 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2a5b s SER 101 CO 0.09 -0.40 0.82 -0.55 0.41 0.00 0.00 173.24 173.62 2a5b s SER 102 N -4.07 7.16 0.15 2.44 0.15 -1.26 -4.89 113.70 113.38 2a5b s SER 102 Ca 0.42 1.40 0.09 0.00 0.70 0.00 0.00 55.95 58.57 2a5b s SER 102 Cb -0.10 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2a5b s SER 102 CO 0.38 -0.17 -0.16 0.68 1.20 0.00 0.00 173.24 175.17 2a5b s VAL 103 N 0.82 2.90 0.01 4.45 -7.23 -1.26 -5.04 120.40 115.06 2a5b s VAL 103 Ca 0.44 -1.62 0.10 0.00 -1.81 0.00 0.00 61.98 59.09 2a5b s VAL 103 Cb -0.19 -2.38 -0.12 0.00 0.56 0.00 0.00 36.38 34.25 2a5b s VAL 103 CO 0.23 0.00 1.30 0.78 -0.31 0.00 0.00 175.10 177.10 2a5b h ASN 104 N 3.39 0.00 -3.57 4.85 2.35 -1.98 -3.45 115.58 117.17 2a5b h ASN 104 Ca -0.48 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.67 2a5b h ASN 104 Cb 1.19 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.23 2a5b h ASN 104 CO 0.49 0.82 -0.85 -0.62 -1.65 0.00 0.00 177.43 175.62 2a5b s ASP 105 N -6.58 2.41 0.08 5.81 3.68 -1.26 -4.99 116.67 115.82 2a5b s ASP 105 Ca 0.02 -0.42 0.05 0.00 2.13 0.00 0.00 52.55 54.33 2a5b s ASP 105 Cb 0.09 -0.96 0.28 0.00 -1.45 0.00 0.00 42.92 40.88 2a5b s ASP 105 CO 0.79 0.12 1.15 0.00 0.13 0.00 0.00 175.17 177.37 2a5b n ILE 106 N 3.47 1.76 0.32 4.11 3.06 -1.26 -1.14 119.36 129.68 2a5b n ILE 106 Ca -0.20 0.56 0.13 0.00 -2.50 0.00 0.00 62.75 60.73 2a5b n ILE 106 Cb 0.52 -1.56 0.27 0.00 0.54 0.00 0.00 39.64 39.41 2a5b n ILE 106 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2a5b h GLY 107 N 0.00 0.00 0.76 4.50 0.00 -1.99 -2.94 103.07 103.41 2a5b h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a5b h GLY 107 CO 0.00 0.00 -0.61 1.22 0.00 0.00 0.00 176.54 177.15 2a5b n ASP 108 N -2.89 0.62 -0.24 0.19 8.00 -0.29 -4.57 116.55 117.38 2a5b n ASP 108 Ca 0.04 -0.43 0.22 0.00 0.71 0.00 0.00 54.79 55.33 2a5b n ASP 108 Cb 0.49 0.42 0.41 0.00 -0.02 0.00 0.00 41.12 42.41 2a5b n ASP 108 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2a5b n ASP 109 N -1.49 0.21 0.30 -2.24 2.03 -1.11 -1.28 116.55 112.98 2a5b n ASP 109 Ca 0.05 1.23 0.18 0.00 0.52 0.00 0.00 54.79 56.77 2a5b n ASP 109 Cb 0.33 -0.58 0.96 0.00 -0.72 0.00 0.00 41.12 41.12 2a5b n ASP 109 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2a5b h TRP 110 N 0.00 0.00 -0.41 -0.67 5.08 -1.84 -1.84 115.95 116.27 2a5b h TRP 110 Ca 0.60 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.57 2a5b h TRP 110 Cb 1.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.73 2a5b h TRP 110 CO -0.06 0.03 0.00 0.36 -1.28 0.00 0.00 178.44 177.49 2a5b n LYS 111 N -3.42 3.11 0.00 0.12 2.85 -0.40 -4.59 118.16 115.83 2a5b n LYS 111 Ca -0.02 -2.52 0.12 0.00 -1.05 0.00 0.00 58.31 54.84 2a5b n LYS 111 Cb 0.14 -1.61 0.20 0.00 -0.65 0.00 0.00 35.03 33.12 2a5b n LYS 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2a5b n ALA 112 N 0.42 2.86 -3.91 0.58 0.00 -0.69 -4.84 120.51 114.92 2a5b n ALA 112 Ca 0.19 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 2a5b n ALA 112 Cb 0.69 -0.92 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 2a5b n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2a5b s THR 113 N -2.19 2.49 0.20 0.00 2.01 -1.26 -0.68 115.64 116.21 2a5b s THR 113 Ca 0.27 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 2a5b s THR 113 Cb 0.20 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 2a5b s THR 113 CO 0.41 0.33 0.41 -0.13 -0.69 0.00 0.00 174.62 174.94 2a5b s ARG 114 N 1.29 3.55 0.19 4.92 0.52 -0.31 -4.91 118.95 124.20 2a5b s ARG 114 Ca 0.01 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.04 2a5b s ARG 114 Cb -0.15 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 2a5b s ARG 114 CO -0.08 0.39 -0.16 0.54 0.02 0.00 0.00 175.30 176.01 2a5b s VAL 115 N -1.86 1.79 0.00 3.52 0.11 -1.26 -0.30 120.40 122.40 2a5b s VAL 115 Ca 0.39 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.34 2a5b s VAL 115 Cb -0.11 -1.97 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 2a5b s VAL 115 CO 0.29 -0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 2a5b n GLY 116 N -0.13 0.54 3.50 6.54 0.00 -1.08 -5.00 105.19 109.56 2a5b n GLY 116 Ca -0.10 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 2a5b n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2a5b s ILE 117 N -2.04 1.89 -0.13 -0.61 -4.36 -1.26 -0.89 121.20 113.80 2a5b s ILE 117 Ca 0.00 -2.14 -0.07 0.00 -0.26 0.00 0.00 60.65 58.19 2a5b s ILE 117 Cb 0.00 -2.61 0.05 0.00 1.25 0.00 0.00 42.46 41.15 2a5b s ILE 117 CO 0.00 -0.21 0.31 0.20 0.24 0.00 0.00 174.94 175.48 2a5b s ASN 118 N -3.54 -0.32 -0.23 4.36 0.02 -0.75 -4.89 114.94 109.59 2a5b s ASN 118 Ca 0.32 0.67 -0.12 0.00 -1.02 0.00 0.00 52.86 52.71 2a5b s ASN 118 Cb 0.04 0.58 -0.05 0.00 0.02 0.00 0.00 41.25 41.84 2a5b s ASN 118 CO 0.15 -0.18 0.21 -0.63 0.02 0.00 0.00 177.10 176.67 2a5b s ILE 119 N 1.41 5.32 -0.12 0.60 1.01 -1.26 0.06 121.20 128.22 2a5b s ILE 119 Ca -0.09 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2a5b s ILE 119 Cb -0.10 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2a5b s ILE 119 CO -0.10 0.32 -0.09 -0.36 0.00 0.00 0.00 174.94 174.71 2a5b s PHE 120 N 1.14 2.90 0.18 3.97 0.40 -0.38 -2.78 117.98 123.42 2a5b s PHE 120 Ca 0.10 -0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.14 2a5b s PHE 120 Cb -0.14 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 2a5b s PHE 120 CO 0.05 -0.04 -0.08 0.95 0.70 0.00 0.00 175.22 176.81 2a5b s THR 121 N 0.10 3.26 0.25 0.64 -4.23 0.17 -1.53 115.64 114.30 2a5b s THR 121 Ca -0.03 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 58.54 2a5b s THR 121 Cb -0.14 -2.62 -0.14 0.00 1.34 0.00 0.00 72.50 70.94 2a5b s THR 121 CO 0.04 -0.11 1.32 0.54 -0.54 0.00 0.00 174.62 175.87 2a5b n ARG 122 N 0.02 1.88 -2.52 3.99 1.74 -1.26 -1.12 116.66 119.38 2a5b n ARG 122 Ca -0.11 0.67 -0.40 0.00 -0.77 0.00 0.00 57.85 57.24 2a5b n ARG 122 Cb 0.55 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.68 2a5b n ARG 122 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2a5b s LEU 123 N 0.02 4.55 0.00 0.55 2.96 0.61 -4.75 118.68 122.62 2a5b s LEU 123 Ca 0.66 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 2a5b s LEU 123 Cb -0.67 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.40 2a5b s LEU 123 CO 0.53 -0.12 0.38 0.54 -1.32 0.00 0.00 176.35 176.36