#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 3.88 0.50 0.00 1.04 -1.26 -5.11 118.95 117.99 2a5b s ARG 2 Ca 0.00 0.34 0.05 0.00 -1.04 0.00 0.00 55.73 55.08 2a5b s ARG 2 Cb 0.00 -2.96 0.00 0.00 -2.04 0.00 0.00 34.95 29.95 2a5b s ARG 2 CO 0.00 0.52 0.26 0.15 -0.04 0.00 0.00 175.30 176.18 2a5b s LYS 3 N -1.93 2.25 -0.15 3.89 1.02 -1.26 -5.07 119.74 118.48 2a5b s LYS 3 Ca 0.35 -2.04 -0.17 0.00 0.02 0.00 0.00 55.97 54.14 2a5b s LYS 3 Cb -0.14 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2a5b s LYS 3 CO 0.19 -0.41 0.42 0.00 -0.92 0.00 0.00 175.35 174.62 2a5b s SER 5 N 0.71 1.70 0.50 0.00 0.15 -1.26 -4.65 113.70 110.84 2a5b s SER 5 Ca 0.22 -0.26 0.29 0.00 0.70 0.00 0.00 55.95 56.90 2a5b s SER 5 Cb -0.14 -0.74 1.17 0.00 -1.71 0.00 0.00 66.02 64.60 2a5b s SER 5 CO 0.08 -0.03 1.92 -0.07 1.20 0.00 0.00 173.24 176.34 2a5b h LEU 6 N 7.37 0.00 -9.27 3.45 3.38 -1.97 -3.44 115.31 114.83 2a5b h LEU 6 Ca -0.32 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.11 2a5b h LEU 6 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2a5b h LEU 6 CO 0.45 0.11 1.15 -0.89 0.09 0.00 0.00 178.44 179.35 2a5b s THR 7 N -3.70 3.38 -5.00 0.22 2.01 -1.26 -4.61 115.64 106.69 2a5b s THR 7 Ca 0.01 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2a5b s THR 7 Cb 0.10 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2a5b s THR 7 CO 0.59 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 2a5b n GLY 8 N 4.35 0.66 3.50 4.40 0.00 -0.59 -4.98 105.19 112.53 2a5b n GLY 8 Ca 0.19 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.00 2.96 0.06 1.61 1.02 -1.26 -1.25 119.74 120.88 2a5b s LYS 9 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.39 2a5b s LYS 9 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 2a5b s LYS 9 CO 0.00 0.50 -0.06 -1.58 -0.92 0.00 0.00 175.35 173.29 2a5b s TRP 10 N -0.37 0.69 0.17 3.18 0.52 0.12 -2.61 118.94 120.64 2a5b s TRP 10 Ca 0.05 -0.77 -0.01 0.00 0.02 0.00 0.00 56.10 55.40 2a5b s TRP 10 Cb -0.12 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 2a5b s TRP 10 CO 0.02 -0.17 0.08 -0.08 0.02 0.00 0.00 176.95 176.83 2a5b s THR 11 N -2.72 0.15 0.31 2.01 -1.32 -0.05 -1.14 115.64 112.88 2a5b s THR 11 Ca 0.01 -1.96 0.06 0.00 -1.21 0.00 0.00 61.69 58.60 2a5b s THR 11 Cb -0.01 -2.26 -0.03 0.00 -1.51 0.00 0.00 72.50 68.69 2a5b s THR 11 CO -0.04 -0.26 0.26 0.54 -2.21 0.00 0.00 174.62 172.91 2a5b s ASN 12 N -3.12 1.48 0.62 8.08 4.22 -0.66 -1.20 114.94 124.36 2a5b s ASN 12 Ca 0.31 -1.71 0.40 0.00 -2.14 0.00 0.00 52.86 49.72 2a5b s ASN 12 Cb 0.07 0.53 2.01 0.00 1.28 0.00 0.00 41.25 45.15 2a5b s ASN 12 CO 0.07 -1.03 2.22 -2.24 -2.04 0.00 0.00 177.10 174.08 2a5b h ASP 13 N 2.20 0.00 0.18 3.54 2.03 -1.86 -1.72 116.42 120.79 2a5b h ASP 13 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2a5b h ASP 13 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2a5b h ASP 13 CO 0.39 0.00 -0.36 0.18 -1.03 0.00 0.00 179.24 178.42 2a5b n LEU 14 N -3.08 1.25 0.00 0.15 4.32 -1.26 -4.98 117.00 113.39 2a5b n LEU 14 Ca -0.02 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.59 2a5b n LEU 14 Cb 0.16 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2a5b n LEU 14 CO 0.23 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 2a5b n GLY 15 N 1.38 0.74 3.82 -0.72 0.00 -0.65 -5.04 105.19 104.72 2a5b n GLY 15 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.71 6.93 0.24 1.61 0.01 -1.26 -4.83 113.70 113.69 2a5b s SER 16 Ca 0.00 1.62 0.11 0.00 1.31 0.00 0.00 55.95 58.98 2a5b s SER 16 Cb 0.00 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 2a5b s SER 16 CO 0.00 -0.31 -0.19 0.20 0.41 0.00 0.00 173.24 173.35 2a5b s ASN 17 N -2.16 3.31 -0.14 2.44 0.01 -0.31 -1.66 114.94 116.44 2a5b s ASN 17 Ca 0.59 -0.99 -0.11 0.00 -0.71 0.00 0.00 52.86 51.65 2a5b s ASN 17 Cb -0.10 -0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.35 2a5b s ASN 17 CO 0.15 0.01 0.35 -0.32 -1.51 0.00 0.00 177.10 175.78 2a5b s MET 18 N -3.35 0.38 -0.07 -0.60 -2.45 -0.29 -0.19 119.30 112.73 2a5b s MET 18 Ca 0.26 0.56 0.05 0.00 -1.25 0.00 0.00 55.69 55.31 2a5b s MET 18 Cb -0.05 0.11 -0.01 0.00 1.25 0.00 0.00 34.83 36.13 2a5b s MET 18 CO 0.12 -0.09 -0.22 0.99 1.05 0.00 0.00 175.02 176.87 2a5b s THR 19 N 0.58 2.29 0.01 10.11 2.01 -0.42 0.16 115.64 130.39 2a5b s THR 19 Ca -0.03 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.07 2a5b s THR 19 Cb -0.05 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 2a5b s THR 19 CO -0.04 0.57 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2a5b s ILE 20 N -0.12 1.76 0.00 1.82 1.01 -0.38 -0.39 121.20 124.89 2a5b s ILE 20 Ca -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.55 2a5b s ILE 20 Cb -0.14 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.85 2a5b s ILE 20 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2a5b n GLY 21 N 2.27 1.24 3.80 6.18 0.00 -0.36 -1.55 105.19 116.77 2a5b n GLY 21 Ca -0.16 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.07 2.73 -0.29 4.61 0.00 -1.26 -4.36 121.76 120.12 2a5b s ALA 22 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 2a5b s ALA 22 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.91 2a5b s ALA 22 CO 0.00 -0.83 0.05 0.08 0.00 0.00 0.00 175.76 175.06 2a5b s VAL 23 N -2.43 3.59 0.61 0.00 1.01 -1.26 -4.53 120.40 117.38 2a5b s VAL 23 Ca 0.64 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2a5b s VAL 23 Cb -0.16 -2.91 0.15 0.00 0.00 0.00 0.00 36.38 33.46 2a5b s VAL 23 CO 0.37 0.03 0.60 -0.46 0.00 0.00 0.00 175.10 175.64 2a5b n ASN 24 N 4.79 -1.15 0.11 3.32 0.23 -0.86 -4.87 115.26 116.81 2a5b n ASN 24 Ca -0.14 -0.95 0.13 0.00 -0.53 0.00 0.00 54.58 53.08 2a5b n ASN 24 Cb 0.47 -0.53 0.41 0.00 -2.08 0.00 0.00 39.78 38.05 2a5b n ASN 24 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2a5b n SER 25 N -3.84 0.81 -0.36 0.53 3.41 -1.26 -1.69 113.62 111.22 2a5b n SER 25 Ca 0.08 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 2a5b n SER 25 Cb 0.31 -0.80 0.61 0.00 -0.26 0.00 0.00 64.21 64.06 2a5b n SER 25 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2a5b n ARG 26 N -2.27 1.49 -1.00 4.33 1.74 -1.26 -4.94 116.66 114.75 2a5b n ARG 26 Ca 0.05 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 2a5b n ARG 26 Cb 0.41 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.11 0.72 3.82 -0.13 0.00 -0.68 -4.84 105.19 105.20 2a5b n GLY 27 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.00 3.69 0.20 1.61 2.02 -1.26 -1.12 118.70 123.84 2a5b s GLU 28 Ca 0.00 1.10 -0.23 0.00 0.02 0.00 0.00 54.97 55.86 2a5b s GLU 28 Cb 0.00 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.19 2a5b s GLU 28 CO 0.00 -0.49 0.70 -0.59 0.02 0.00 0.00 175.26 174.90 2a5b s PHE 29 N -2.49 -0.35 0.22 1.61 -0.12 -0.78 -2.04 117.98 114.04 2a5b s PHE 29 Ca 0.62 0.04 0.03 0.00 -0.05 0.00 0.00 56.93 57.57 2a5b s PHE 29 Cb -0.13 0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 2a5b s PHE 29 CO 0.32 -0.98 -0.01 0.99 -0.05 0.00 0.00 175.22 175.49 2a5b s THR 30 N -3.73 1.01 -0.22 -4.49 2.01 -1.26 -1.52 115.64 107.43 2a5b s THR 30 Ca 0.06 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.03 2a5b s THR 30 Cb -0.03 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.17 2a5b s THR 30 CO -0.03 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 2a5b n GLY 31 N -0.39 -0.64 2.99 4.40 0.00 -0.17 -1.23 105.19 110.15 2a5b n GLY 31 Ca -0.05 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.35 0.27 -0.10 2.61 2.01 0.47 -1.10 115.64 116.45 2a5b s THR 32 Ca 0.00 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2a5b s THR 32 Cb 0.00 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.18 2a5b s THR 32 CO 0.00 -0.34 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.10 2a5b s TYR 33 N -1.14 1.00 -0.14 4.92 6.14 0.22 -1.30 117.35 127.04 2a5b s TYR 33 Ca -0.10 -0.46 -0.03 0.00 0.64 0.00 0.00 57.07 57.11 2a5b s TYR 33 Cb -0.08 -0.98 -0.03 0.00 0.42 0.00 0.00 41.96 41.29 2a5b s TYR 33 CO -0.00 -0.43 -0.04 0.99 0.64 0.00 0.00 175.55 176.71 2a5b s THR 34 N 1.87 3.89 0.07 4.34 2.01 0.73 -1.69 115.64 126.86 2a5b s THR 34 Ca 0.04 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.69 2a5b s THR 34 Cb -0.13 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.69 2a5b s THR 34 CO -0.07 0.51 0.04 1.07 -0.69 0.00 0.00 174.62 175.49 2a5b n THR 35 N 3.34 0.00 -3.92 -0.82 5.66 -1.08 -1.16 114.28 116.31 2a5b n THR 35 Ca -0.17 -0.49 -0.10 0.00 -3.05 0.00 0.00 64.05 60.24 2a5b n THR 35 Cb 0.53 0.21 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 2a5b n THR 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a5b s ALA 36 N -2.25 -0.22 0.00 1.79 0.00 -1.26 -2.39 121.76 117.42 2a5b s ALA 36 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2a5b s ALA 36 Cb 0.00 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2a5b s ALA 36 CO 0.04 -0.71 0.00 0.28 0.00 0.00 0.00 175.76 175.37 2a5b n VAL 37 N -0.27 0.00 0.00 0.00 0.31 -1.23 -4.85 118.33 112.29 2a5b n VAL 37 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2a5b n VAL 37 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2a5b n VAL 37 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2a5b n THR 38 N 0.00 0.00 -0.89 2.52 -1.04 -1.26 0.72 114.28 114.34 2a5b n THR 38 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 2a5b n THR 38 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 2a5b n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a5b n ALA 39 N 0.91 5.25 -3.32 2.41 0.00 -1.26 -4.93 120.51 119.57 2a5b n ALA 39 Ca 0.00 -2.42 -0.29 0.00 0.00 0.00 0.00 53.44 50.73 2a5b n ALA 39 Cb 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.04 2a5b n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2a5b n THR 40 N -0.64 -3.24 0.00 0.00 -2.24 0.22 -4.92 114.28 103.47 2a5b n THR 40 Ca 0.48 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.42 2a5b n THR 40 Cb 1.13 -3.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.14 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 0.21 0.00 0.08 3.42 3.41 -1.26 -5.05 113.62 114.44 2a5b n SER 41 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2a5b n SER 41 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.54 0.11 -4.60 4.04 6.94 -1.26 -5.06 115.26 114.89 2a5b n ASN 42 Ca 0.00 0.28 -0.43 0.00 -0.02 0.00 0.00 54.58 54.41 2a5b n ASN 42 Cb 0.00 0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 37.55 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 -1.68 3.71 -0.22 -3.83 2.12 -1.26 -5.01 118.70 112.54 2a5b s GLU 43 Ca 0.00 0.68 -0.05 0.00 0.36 0.00 0.00 54.97 55.96 2a5b s GLU 43 Cb 0.00 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 2a5b s GLU 43 CO 0.00 -1.39 -0.01 0.96 -0.54 0.00 0.00 175.26 174.28 2a5b s ILE 44 N 4.62 3.77 0.12 -3.70 -5.25 -1.26 -3.58 121.20 115.92 2a5b s ILE 44 Ca 0.51 -0.36 -0.12 0.00 -0.99 0.00 0.00 60.65 59.69 2a5b s ILE 44 Cb -0.09 -2.72 -0.06 0.00 2.95 0.00 0.00 42.46 42.54 2a5b s ILE 44 CO 0.31 0.41 0.47 -0.54 -1.79 0.00 0.00 174.94 173.80 2a5b s LYS 45 N 1.30 3.86 -0.06 0.37 1.02 -1.01 -4.97 119.74 120.24 2a5b s LYS 45 Ca 0.04 0.31 0.05 0.00 0.02 0.00 0.00 55.97 56.39 2a5b s LYS 45 Cb -0.15 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2a5b s LYS 45 CO 0.00 0.51 -0.21 -2.00 -0.92 0.00 0.00 175.35 172.73 2a5b s GLU 46 N -2.01 2.26 0.01 1.68 2.12 -1.26 -2.63 118.70 118.88 2a5b s GLU 46 Ca 0.36 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.96 2a5b s GLU 46 Cb -0.14 -1.88 -0.01 0.00 0.26 0.00 0.00 34.13 32.36 2a5b s GLU 46 CO 0.19 0.27 -0.04 -1.12 -0.54 0.00 0.00 175.26 174.01 2a5b s SER 47 N 0.06 0.49 0.53 -1.70 0.01 -0.68 -4.57 113.70 107.85 2a5b s SER 47 Ca -0.07 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.81 2a5b s SER 47 Cb -0.14 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.01 2a5b s SER 47 CO 0.04 -0.05 0.99 -2.16 0.41 0.00 0.00 173.24 172.47 2a5b s PRO 48 N -0.57 3.90 0.13 12.44 0.04 -1.26 -0.61 135.00 149.06 2a5b s PRO 48 Ca -0.03 0.92 0.07 0.00 0.04 0.00 0.00 61.00 61.99 2a5b s PRO 48 Cb -0.04 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2a5b s PRO 48 CO -0.00 -0.30 -0.15 -0.48 0.04 0.00 0.00 177.00 176.10 2a5b s LEU 49 N -4.20 2.39 -0.02 -3.56 -0.00 -0.26 -2.75 118.68 110.28 2a5b s LEU 49 Ca 0.58 -0.80 -0.01 0.00 -0.00 0.00 0.00 54.13 53.90 2a5b s LEU 49 Cb -0.10 -0.63 0.01 0.00 -0.00 0.00 0.00 46.19 45.47 2a5b s LEU 49 CO 0.34 -0.10 0.04 -1.00 -0.00 0.00 0.00 176.35 175.64 2a5b s HIS 50 N -1.97 -0.04 0.05 3.48 3.76 -1.08 -1.00 115.29 118.49 2a5b s HIS 50 Ca 0.09 0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 55.11 2a5b s HIS 50 Cb -0.06 -0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.63 2a5b s HIS 50 CO 0.04 -0.03 0.10 0.41 -0.85 0.00 0.00 174.74 174.40 2a5b n GLY 51 N 3.21 1.94 3.10 -2.22 0.00 -0.58 -1.13 105.19 109.51 2a5b n GLY 51 Ca -0.14 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.86 0.10 -0.12 2.61 -4.23 -0.65 -1.87 115.64 108.63 2a5b s THR 52 Ca 0.02 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.70 2a5b s THR 52 Cb -0.01 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 2a5b s THR 52 CO 0.02 -0.45 -0.05 -0.70 -0.54 0.00 0.00 174.62 172.90 2a5b s GLU 53 N -1.69 3.28 0.16 3.99 2.12 -0.27 -1.43 118.70 124.87 2a5b s GLU 53 Ca -0.13 -0.53 -0.32 0.00 0.36 0.00 0.00 54.97 54.36 2a5b s GLU 53 Cb -0.06 -2.78 -0.10 0.00 0.26 0.00 0.00 34.13 31.45 2a5b s GLU 53 CO -0.00 0.43 1.55 1.21 -0.54 0.00 0.00 175.26 177.91 2a5b s ASN 54 N -0.15 6.61 -0.00 -1.70 3.84 -0.13 -4.49 114.94 118.91 2a5b s ASN 54 Ca 0.03 2.59 0.16 0.00 0.21 0.00 0.00 52.86 55.85 2a5b s ASN 54 Cb -0.13 -2.59 -0.19 0.00 -0.55 0.00 0.00 41.25 37.79 2a5b s ASN 54 CO 0.03 -0.81 0.63 1.07 -2.79 0.00 0.00 177.10 175.23 2a5b n THR 55 N 3.96 0.00 -1.47 -5.21 5.66 -1.26 -4.64 114.28 111.32 2a5b n THR 55 Ca 0.14 -0.17 -0.51 0.00 -3.05 0.00 0.00 64.05 60.46 2a5b n THR 55 Cb 0.39 0.84 -0.07 0.00 -1.55 0.00 0.00 70.33 69.94 2a5b n THR 55 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2a5b n ILE 56 N -1.51 0.21 -2.01 1.09 2.08 -1.26 -0.96 119.36 117.00 2a5b n ILE 56 Ca 0.02 -0.25 -0.06 0.00 0.56 0.00 0.00 62.75 63.01 2a5b n ILE 56 Cb 0.29 -1.66 -0.01 0.00 -0.75 0.00 0.00 39.64 37.51 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 9.62 -2.68 -2.20 4.38 3.02 -1.26 -4.34 115.26 121.80 2a5b n ASN 57 Ca 0.40 0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.86 2a5b n ASN 57 Cb 0.23 -1.87 -0.02 0.00 -0.61 0.00 0.00 39.78 37.51 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 -1.77 -1.31 -1.14 3.52 4.76 -0.13 -4.81 118.16 117.28 2a5b n LYS 58 Ca -0.08 0.03 -0.37 0.00 -2.87 0.00 0.00 58.31 55.03 2a5b n LYS 58 Cb 0.52 -2.02 0.05 0.00 -1.84 0.00 0.00 35.03 31.74 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 -1.64 0.09 0.07 1.97 5.12 -1.26 -4.91 116.66 116.09 2a5b n ARG 59 Ca 0.03 0.05 0.12 0.00 -1.93 0.00 0.00 57.85 56.12 2a5b n ARG 59 Cb 0.21 -1.40 0.25 0.00 -1.16 0.00 0.00 32.46 30.35 2a5b n ARG 59 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2a5b n THR 60 N -2.31 0.40 -3.47 0.55 -2.24 -1.26 -4.34 114.28 101.60 2a5b n THR 60 Ca 0.06 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 2a5b n THR 60 Cb 0.51 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 2a5b n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a5b n GLN 61 N -2.11 0.73 -2.83 -0.78 6.02 -1.26 -0.23 117.38 116.92 2a5b n GLN 61 Ca 0.04 -3.54 -0.33 0.00 -0.01 0.00 0.00 57.00 53.16 2a5b n GLN 61 Cb 0.43 -1.77 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.57 4.27 0.69 -1.09 0.05 -1.25 -4.57 135.00 132.53 2a5b s PRO 62 Ca 0.32 1.13 -0.09 0.00 0.05 0.00 0.00 61.00 62.41 2a5b s PRO 62 Cb 0.05 -2.27 0.04 0.00 0.05 0.00 0.00 34.50 32.36 2a5b s PRO 62 CO -0.17 0.02 1.04 0.95 0.05 0.00 0.00 177.00 178.89 2a5b s THR 63 N -2.10 2.94 0.08 1.26 -4.23 -1.26 -2.27 115.64 110.06 2a5b s THR 63 Ca 0.60 0.07 -0.27 0.00 -1.18 0.00 0.00 61.69 60.92 2a5b s THR 63 Cb -0.10 -3.26 0.08 0.00 1.34 0.00 0.00 72.50 70.56 2a5b s THR 63 CO 0.15 -0.31 0.92 0.72 -0.54 0.00 0.00 174.62 175.56 2a5b s PHE 64 N -3.28 -0.24 -0.04 3.99 -0.12 -0.51 -0.96 117.98 116.83 2a5b s PHE 64 Ca 0.58 0.02 -0.15 0.00 -0.05 0.00 0.00 56.93 57.33 2a5b s PHE 64 Cb -0.11 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 42.90 2a5b s PHE 64 CO 0.48 -0.69 0.33 0.20 -0.05 0.00 0.00 175.22 175.48 2a5b s GLY 65 N -2.72 -0.18 0.17 1.99 0.00 -0.51 -2.06 107.32 103.99 2a5b s GLY 65 Ca 0.09 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.16 2a5b s GLY 65 CO -0.03 0.27 0.37 -0.11 0.00 0.00 0.00 173.10 173.60 2a5b s PHE 66 N -1.05 0.15 -0.06 1.90 -0.12 0.23 -1.63 117.98 117.40 2a5b s PHE 66 Ca -0.11 -0.51 0.04 0.00 -0.05 0.00 0.00 56.93 56.30 2a5b s PHE 66 Cb -0.05 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 2a5b s PHE 66 CO 0.04 -0.77 -0.18 0.99 -0.05 0.00 0.00 175.22 175.24 2a5b s THR 67 N -3.91 1.55 -0.17 -4.49 2.01 -0.28 -0.43 115.64 109.91 2a5b s THR 67 Ca 0.12 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 2a5b s THR 67 Cb 0.02 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 2a5b s THR 67 CO -0.03 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.55 2a5b s VAL 68 N 0.27 3.05 -0.94 3.82 1.01 0.13 -2.62 120.40 125.13 2a5b s VAL 68 Ca -0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2a5b s VAL 68 Cb -0.14 -2.33 0.24 0.00 0.00 0.00 0.00 36.38 34.15 2a5b s VAL 68 CO 0.04 0.49 0.90 0.21 0.00 0.00 0.00 175.10 176.74 2a5b s ASN 69 N 0.91 6.96 0.22 3.32 3.04 -1.11 -1.54 114.94 126.73 2a5b s ASN 69 Ca -0.02 -3.08 -0.32 0.00 0.04 0.00 0.00 52.86 49.48 2a5b s ASN 69 Cb -0.15 -2.20 -0.13 0.00 -1.54 0.00 0.00 41.25 37.23 2a5b s ASN 69 CO -0.00 -0.45 1.59 0.79 -3.04 0.00 0.00 177.10 175.99 2a5b n TRP 70 N 3.42 2.51 0.11 0.43 7.02 -1.14 -4.44 117.44 125.35 2a5b n TRP 70 Ca 0.18 0.24 -0.04 0.00 -1.02 0.00 0.00 57.50 56.86 2a5b n TRP 70 Cb 0.44 -2.57 0.09 0.00 -2.42 0.00 0.00 31.31 26.84 2a5b n TRP 70 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2a5b h LYS 71 N 5.54 0.07 -0.30 -0.99 3.64 -1.91 -3.33 116.57 119.28 2a5b h LYS 71 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2a5b h LYS 71 Cb 1.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2a5b h LYS 71 CO 0.86 0.75 0.00 1.97 -2.27 0.00 0.00 179.45 180.76 2a5b n PHE 72 N -3.72 0.39 -4.03 1.91 1.16 -1.26 -4.99 117.46 106.92 2a5b n PHE 72 Ca -0.02 -0.32 -0.13 0.00 -1.87 0.00 0.00 57.45 55.12 2a5b n PHE 72 Cb 0.70 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.52 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 -1.09 0.65 0.00 5.98 1.04 -1.25 -5.01 113.70 114.02 2a5b s SER 73 Ca 0.26 -1.37 0.03 0.00 0.48 0.00 0.00 55.95 55.36 2a5b s SER 73 Cb 0.15 0.69 0.18 0.00 0.10 0.00 0.00 66.02 67.13 2a5b s SER 73 CO 0.20 -1.34 1.12 -0.62 0.98 0.00 0.00 173.24 173.58 2a5b n GLU 74 N -0.54 1.06 -3.11 4.02 1.02 -1.26 -4.69 120.64 117.14 2a5b n GLU 74 Ca -0.01 -0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 56.82 2a5b n GLU 74 Cb 0.61 -1.06 0.01 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.08 5.87 -0.01 1.62 0.01 -1.26 -4.41 113.70 114.44 2a5b s SER 75 Ca 0.06 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.52 2a5b s SER 75 Cb 0.03 -1.47 -0.00 0.00 0.21 0.00 0.00 66.02 64.78 2a5b s SER 75 CO 0.04 -0.63 -0.07 -0.89 0.41 0.00 0.00 173.24 172.10 2a5b s THR 76 N -2.46 0.52 -0.02 1.44 2.01 -0.92 -2.88 115.64 113.32 2a5b s THR 76 Ca 0.47 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.26 2a5b s THR 76 Cb -0.10 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 2a5b s THR 76 CO 0.36 0.15 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.32 2a5b s THR 77 N -0.13 1.88 -0.04 -0.82 2.01 -0.59 -0.64 115.64 117.29 2a5b s THR 77 Ca 0.02 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.06 2a5b s THR 77 Cb -0.03 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 2a5b s THR 77 CO -0.00 0.53 -0.16 0.68 -0.69 0.00 0.00 174.62 174.98 2a5b s VAL 78 N -0.48 2.89 -0.02 3.82 -7.23 -0.51 0.20 120.40 119.07 2a5b s VAL 78 Ca 0.07 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.52 2a5b s VAL 78 Cb -0.10 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 2a5b s VAL 78 CO -0.00 0.59 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.80 2a5b s PHE 79 N -0.70 2.48 0.01 2.82 0.40 0.43 -1.25 117.98 122.16 2a5b s PHE 79 Ca 0.11 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 2a5b s PHE 79 Cb -0.11 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 2a5b s PHE 79 CO 0.00 0.07 -0.00 -0.08 0.70 0.00 0.00 175.22 175.91 2a5b s THR 80 N -0.69 0.07 0.00 0.64 -1.32 0.17 -0.60 115.64 113.91 2a5b s THR 80 Ca 0.11 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2a5b s THR 80 Cb -0.10 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 2a5b s THR 80 CO 0.00 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 2a5b n GLY 81 N 2.05 1.04 3.07 6.08 0.00 -0.88 -0.77 105.19 115.79 2a5b n GLY 81 Ca -0.20 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 1.74 0.36 -0.43 1.61 0.74 -0.92 -1.42 119.66 121.33 2a5b s GLN 82 Ca 0.00 -0.17 -0.16 0.00 0.05 0.00 0.00 55.36 55.08 2a5b s GLN 82 Cb 0.00 0.15 0.04 0.00 1.10 0.00 0.00 33.01 34.30 2a5b s GLN 82 CO 0.00 -0.08 0.38 0.00 -0.55 0.00 0.00 175.29 175.04 2a5b s PHE 84 N 1.84 3.09 -0.59 0.00 0.08 0.39 -3.96 117.98 118.83 2a5b s PHE 84 Ca 0.07 0.02 -0.26 0.00 0.12 0.00 0.00 56.93 56.88 2a5b s PHE 84 Cb -0.20 -1.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2a5b s PHE 84 CO 0.10 0.50 1.09 0.42 -0.10 0.00 0.00 175.22 177.23 2a5b s ILE 85 N -1.41 4.15 1.15 0.64 -1.09 -1.26 -1.28 121.20 122.10 2a5b s ILE 85 Ca 0.28 0.52 -0.13 0.00 -2.23 0.00 0.00 60.65 59.09 2a5b s ILE 85 Cb -0.12 -4.67 0.26 0.00 -1.58 0.00 0.00 42.46 36.35 2a5b s ILE 85 CO 0.21 -1.31 0.93 -0.67 -1.23 0.00 0.00 174.94 172.86 2a5b n ASP 86 N 8.10 -1.59 0.17 3.58 -0.08 -0.67 -4.85 116.55 121.21 2a5b n ASP 86 Ca 0.04 -0.09 0.06 0.00 -1.51 0.00 0.00 54.79 53.29 2a5b n ASP 86 Cb 0.48 -1.26 0.56 0.00 2.34 0.00 0.00 41.12 43.24 2a5b n ASP 86 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2a5b h ARG 87 N -2.55 0.18 -0.13 -0.67 3.08 -1.98 -1.65 114.38 110.66 2a5b h ARG 87 Ca -0.59 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2a5b h ARG 87 Cb 1.33 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2a5b h ARG 87 CO 0.47 0.14 0.00 0.27 -1.07 0.00 0.00 179.97 179.78 2a5b n ASN 88 N -4.50 1.23 0.00 7.04 6.94 -1.26 -4.92 115.26 119.79 2a5b n ASN 88 Ca -0.01 -1.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 2a5b n ASN 88 Cb 0.10 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 2a5b n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2a5b n GLY 89 N 1.03 1.90 3.80 4.83 0.00 -0.62 -5.05 105.19 111.09 2a5b n GLY 89 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2a5b n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5b s LYS 90 N -0.86 4.39 0.35 1.61 1.02 -1.26 -4.68 119.74 120.30 2a5b s LYS 90 Ca 0.00 1.04 -0.27 0.00 0.02 0.00 0.00 55.97 56.76 2a5b s LYS 90 Cb 0.00 -2.90 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 2a5b s LYS 90 CO 0.00 0.38 1.21 -1.21 -0.92 0.00 0.00 175.35 174.81 2a5b s GLU 91 N -1.91 4.27 -0.10 1.68 2.02 -1.26 -1.66 118.70 121.74 2a5b s GLU 91 Ca 0.44 1.98 -0.08 0.00 0.02 0.00 0.00 54.97 57.33 2a5b s GLU 91 Cb -0.18 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.16 2a5b s GLU 91 CO 0.22 -0.17 0.25 0.54 0.02 0.00 0.00 175.26 176.12 2a5b s VAL 92 N -1.26 -0.01 -0.27 2.63 0.11 -0.41 -4.32 120.40 116.87 2a5b s VAL 92 Ca 0.52 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.52 2a5b s VAL 92 Cb -0.34 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2a5b s VAL 92 CO 0.44 0.02 0.13 -0.76 -3.33 0.00 0.00 175.10 171.61 2a5b s LEU 93 N 0.47 3.78 -0.27 2.54 1.43 -0.62 -0.46 118.68 125.54 2a5b s LEU 93 Ca -0.03 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 2a5b s LEU 93 Cb -0.04 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2a5b s LEU 93 CO -0.02 -0.06 0.28 -0.54 0.23 0.00 0.00 176.35 176.24 2a5b s LYS 94 N 1.68 3.98 0.25 1.70 -0.14 -0.82 -0.54 119.74 125.85 2a5b s LYS 94 Ca 0.06 -0.14 0.06 0.00 -1.36 0.00 0.00 55.97 54.59 2a5b s LYS 94 Cb -0.16 -3.66 -0.05 0.00 -1.68 0.00 0.00 37.83 32.28 2a5b s LYS 94 CO 0.07 -0.23 -0.07 0.95 -0.76 0.00 0.00 175.35 175.31 2a5b s THR 95 N 1.91 1.57 0.10 2.17 -4.23 0.11 -2.17 115.64 115.09 2a5b s THR 95 Ca 0.11 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 2a5b s THR 95 Cb -0.16 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 2a5b s THR 95 CO 0.10 -0.38 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.62 2a5b s MET 96 N -3.73 0.94 0.07 3.99 -1.94 0.06 -2.38 119.30 116.31 2a5b s MET 96 Ca 0.27 -1.11 0.03 0.00 -1.71 0.00 0.00 55.69 53.18 2a5b s MET 96 Cb 0.03 -0.91 -0.03 0.00 2.01 0.00 0.00 34.83 35.93 2a5b s MET 96 CO 0.10 0.19 -0.10 1.67 -0.01 0.00 0.00 175.02 176.87 2a5b s TRP 97 N -1.68 0.95 -0.16 -0.03 1.48 -0.18 -0.66 118.94 118.65 2a5b s TRP 97 Ca 0.04 -0.58 0.01 0.00 -1.06 0.00 0.00 56.10 54.51 2a5b s TRP 97 Cb -0.07 -0.54 0.01 0.00 -1.16 0.00 0.00 33.47 31.71 2a5b s TRP 97 CO 0.03 -0.03 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.19 2a5b s LEU 98 N -2.06 2.26 -0.36 -4.66 1.43 -0.38 -2.32 118.68 112.60 2a5b s LEU 98 Ca -0.01 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 2a5b s LEU 98 Cb -0.06 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.68 2a5b s LEU 98 CO 0.00 0.05 0.18 -0.22 0.23 0.00 0.00 176.35 176.59 2a5b s LEU 99 N 1.01 4.58 -0.19 1.79 2.96 0.36 -1.43 118.68 127.77 2a5b s LEU 99 Ca -0.02 -1.00 -0.16 0.00 -0.22 0.00 0.00 54.13 52.73 2a5b s LEU 99 Cb -0.15 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2a5b s LEU 99 CO -0.05 -0.36 0.38 -0.60 -1.32 0.00 0.00 176.35 174.40 2a5b s ARG 100 N 1.52 4.20 0.35 1.98 6.06 0.18 -1.48 118.95 131.76 2a5b s ARG 100 Ca 0.01 0.19 -0.03 0.00 -2.50 0.00 0.00 55.73 53.41 2a5b s ARG 100 Cb -0.19 -3.51 -0.04 0.00 0.06 0.00 0.00 34.95 31.27 2a5b s ARG 100 CO 0.06 0.03 0.60 -1.12 -2.50 0.00 0.00 175.30 172.37 2a5b s SER 101 N 0.90 6.34 -0.02 -2.12 0.01 -0.37 -2.18 113.70 116.27 2a5b s SER 101 Ca 0.19 0.65 -0.29 0.00 1.31 0.00 0.00 55.95 57.81 2a5b s SER 101 Cb -0.14 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2a5b s SER 101 CO 0.07 -0.32 0.93 -0.55 0.41 0.00 0.00 173.24 173.78 2a5b s SER 102 N -3.74 7.28 0.49 2.44 0.15 -1.26 -4.87 113.70 114.19 2a5b s SER 102 Ca 0.43 1.55 0.06 0.00 0.70 0.00 0.00 55.95 58.69 2a5b s SER 102 Cb -0.10 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2a5b s SER 102 CO 0.36 -0.25 0.29 0.68 1.20 0.00 0.00 173.24 175.52 2a5b s VAL 103 N 1.05 1.85 -0.19 4.45 -7.23 -1.26 -5.09 120.40 113.97 2a5b s VAL 103 Ca 0.49 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 58.93 2a5b s VAL 103 Cb -0.20 -2.45 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 2a5b s VAL 103 CO 0.25 0.00 -0.29 0.59 -0.31 0.00 0.00 175.10 175.34 2a5b n ASN 104 N -1.54 1.68 -4.81 4.85 3.02 -1.26 -4.94 115.26 112.27 2a5b n ASN 104 Ca -0.04 0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 54.42 2a5b n ASN 104 Cb 0.64 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 2a5b n ASN 104 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2a5b s ASP 105 N -6.60 6.85 0.00 6.41 2.15 -1.26 -4.97 116.67 119.25 2a5b s ASP 105 Ca -0.29 1.01 0.00 0.00 0.43 0.00 0.00 52.55 53.71 2a5b s ASP 105 Cb 0.09 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2a5b s ASP 105 CO 0.38 0.25 0.86 0.00 -0.17 0.00 0.00 175.17 176.49 2a5b n ILE 106 N 2.17 1.45 0.35 4.11 3.06 -1.26 -0.78 119.36 128.45 2a5b n ILE 106 Ca -0.12 0.49 0.12 0.00 -2.50 0.00 0.00 62.75 60.74 2a5b n ILE 106 Cb 0.52 -1.49 0.19 0.00 0.54 0.00 0.00 39.64 39.40 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 -0.70 4.50 0.00 -2.01 -3.10 103.07 101.76 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 -0.19 1.22 0.00 0.00 0.00 176.54 177.57 2a5b n ASP 108 N -2.68 1.81 -0.31 0.19 8.00 0.04 -4.42 116.55 119.18 2a5b n ASP 108 Ca 0.04 -1.43 0.16 0.00 0.71 0.00 0.00 54.79 54.27 2a5b n ASP 108 Cb 0.50 0.16 0.34 0.00 -0.02 0.00 0.00 41.12 42.10 2a5b n ASP 108 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2a5b h ASP 109 N 2.53 -0.02 -0.44 -2.24 3.58 -1.59 -2.05 116.42 116.19 2a5b h ASP 109 Ca 0.00 0.22 0.13 0.00 0.42 0.00 0.00 57.03 57.80 2a5b h ASP 109 Cb 0.67 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2a5b h ASP 109 CO 0.00 -0.23 0.54 4.11 -2.88 0.00 0.00 179.24 180.78 2a5b h TRP 110 N 0.15 0.00 -0.06 0.28 5.08 -1.83 0.21 115.95 119.78 2a5b h TRP 110 Ca 0.61 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.58 2a5b h TRP 110 Cb 1.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 2a5b h TRP 110 CO -0.26 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.26 2a5b n LYS 111 N -3.54 1.94 0.00 0.12 2.85 -0.77 -4.57 118.16 114.19 2a5b n LYS 111 Ca 0.08 -2.39 0.12 0.00 -1.05 0.00 0.00 58.31 55.07 2a5b n LYS 111 Cb 0.72 -1.45 0.28 0.00 -0.65 0.00 0.00 35.03 33.92 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 -1.02 3.46 -3.57 0.58 0.00 0.06 -4.84 120.51 115.19 2a5b n ALA 112 Ca 0.14 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 2a5b n ALA 112 Cb 0.59 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.96 3.18 0.28 0.00 2.01 -1.26 -1.24 115.64 115.65 2a5b s THR 113 Ca 0.12 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 2a5b s THR 113 Cb 0.18 -2.64 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 2a5b s THR 113 CO 0.68 0.15 0.61 -0.13 -0.69 0.00 0.00 174.62 175.23 2a5b s ARG 114 N 1.37 3.80 0.09 4.92 0.52 -0.55 -4.95 118.95 124.14 2a5b s ARG 114 Ca 0.00 0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.58 2a5b s ARG 114 Cb -0.17 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 2a5b s ARG 114 CO -0.02 0.22 -0.13 0.54 0.02 0.00 0.00 175.30 175.93 2a5b s VAL 115 N -1.97 1.12 0.00 3.52 0.11 -1.26 -0.48 120.40 121.44 2a5b s VAL 115 Ca 0.48 -1.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2a5b s VAL 115 Cb -0.11 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 2a5b s VAL 115 CO 0.24 -0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 2a5b n GLY 116 N 1.00 0.79 3.24 6.54 0.00 -0.98 -5.01 105.19 110.78 2a5b n GLY 116 Ca -0.19 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.01 0.81 -0.04 -0.61 -4.36 -1.26 -1.01 121.20 112.72 2a5b s ILE 117 Ca 0.00 -1.99 -0.13 0.00 -0.26 0.00 0.00 60.65 58.26 2a5b s ILE 117 Cb 0.00 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.69 2a5b s ILE 117 CO 0.00 -0.56 0.30 0.20 0.24 0.00 0.00 174.94 175.12 2a5b s ASN 118 N -3.17 -0.21 -0.16 4.36 0.02 -1.00 -4.89 114.94 109.89 2a5b s ASN 118 Ca 0.22 0.20 0.02 0.00 -1.02 0.00 0.00 52.86 52.28 2a5b s ASN 118 Cb 0.05 0.39 0.02 0.00 0.02 0.00 0.00 41.25 41.73 2a5b s ASN 118 CO 0.03 -0.35 -0.21 -0.63 0.02 0.00 0.00 177.10 175.96 2a5b s ILE 119 N -0.94 2.02 -0.10 0.60 1.01 -1.26 0.05 121.20 122.58 2a5b s ILE 119 Ca -0.10 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 2a5b s ILE 119 Cb -0.05 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2a5b s ILE 119 CO 0.03 0.54 -0.07 -0.36 0.00 0.00 0.00 174.94 175.08 2a5b s PHE 120 N 1.06 2.94 0.23 3.97 0.40 0.30 -2.96 117.98 123.92 2a5b s PHE 120 Ca -0.01 -0.16 0.11 0.00 -0.60 0.00 0.00 56.93 56.27 2a5b s PHE 120 Cb -0.14 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 2a5b s PHE 120 CO -0.07 0.15 -0.21 0.95 0.70 0.00 0.00 175.22 176.75 2a5b s THR 121 N -0.32 2.29 0.55 0.64 -4.23 -0.34 -1.59 115.64 112.64 2a5b s THR 121 Ca 0.05 -2.20 -0.21 0.00 -1.18 0.00 0.00 61.69 58.14 2a5b s THR 121 Cb -0.13 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 2a5b s THR 121 CO 0.02 -0.31 1.32 -0.13 -0.54 0.00 0.00 174.62 174.99 2a5b s ARG 122 N -3.14 3.11 0.42 3.99 1.81 -1.26 -0.87 118.95 123.00 2a5b s ARG 122 Ca 0.24 2.14 -0.11 0.00 -1.72 0.00 0.00 55.73 56.28 2a5b s ARG 122 Cb -0.06 -2.19 -0.06 0.00 -0.45 0.00 0.00 34.95 32.19 2a5b s ARG 122 CO 0.11 -1.18 0.79 -1.17 -0.68 0.00 0.00 175.30 173.17 2a5b s LEU 123 N -3.63 3.81 0.00 2.53 2.96 -1.07 -4.75 118.68 118.52 2a5b s LEU 123 Ca 0.73 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 2a5b s LEU 123 Cb -0.38 -4.05 0.00 0.00 0.50 0.00 0.00 46.19 42.26 2a5b s LEU 123 CO 0.44 -0.42 0.39 0.54 -1.32 0.00 0.00 176.35 175.98