#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5c n ARG 2 N 0.00 4.64 -3.06 0.00 1.74 -1.26 -4.97 116.66 113.75 2a5c n ARG 2 Ca 0.00 -4.13 -0.41 0.00 -0.77 0.00 0.00 57.85 52.55 2a5c n ARG 2 Cb 0.00 -2.61 -0.06 0.00 -1.02 0.00 0.00 32.46 28.77 2a5c n ARG 2 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2a5c s LYS 3 N -2.25 4.13 -0.28 5.56 -2.85 -1.26 -4.79 119.74 118.01 2a5c s LYS 3 Ca 0.41 0.64 -0.25 0.00 -1.00 0.00 0.00 55.97 55.76 2a5c s LYS 3 Cb 0.13 -3.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.26 2a5c s LYS 3 CO -0.03 -0.43 0.87 0.00 0.10 0.00 0.00 175.35 175.86 2a5c s SER 5 N 1.47 3.00 0.43 0.00 0.15 -1.26 -4.72 113.70 112.77 2a5c s SER 5 Ca 0.36 -0.52 0.24 0.00 0.70 0.00 0.00 55.95 56.73 2a5c s SER 5 Cb -0.14 -1.06 0.53 0.00 -1.71 0.00 0.00 66.02 63.64 2a5c s SER 5 CO 0.10 0.20 1.67 -0.07 1.20 0.00 0.00 173.24 176.34 2a5c h LEU 6 N 6.35 0.00 -9.54 3.45 3.38 -1.95 -3.44 115.31 113.56 2a5c h LEU 6 Ca -0.27 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.17 2a5c h LEU 6 Cb 1.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.97 2a5c h LEU 6 CO 0.47 0.11 0.71 -0.89 0.09 0.00 0.00 178.44 178.93 2a5c s THR 7 N -3.29 3.37 -4.18 0.22 2.01 -1.26 -4.62 115.64 107.89 2a5c s THR 7 Ca 0.05 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2a5c s THR 7 Cb 0.07 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2a5c s THR 7 CO 0.66 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 2a5c n GLY 8 N 3.44 0.81 3.30 4.40 0.00 -0.10 -4.97 105.19 112.07 2a5c n GLY 8 Ca 0.11 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2a5c n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5c s LYS 9 N -1.67 3.25 0.10 1.61 1.02 -1.26 -1.37 119.74 121.42 2a5c s LYS 9 Ca 0.00 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.31 2a5c s LYS 9 Cb 0.00 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 2a5c s LYS 9 CO 0.00 0.13 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.80 2a5c s TRP 10 N 0.53 1.59 0.26 3.18 0.52 0.42 -1.53 118.94 123.90 2a5c s TRP 10 Ca -0.10 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.62 2a5c s TRP 10 Cb -0.16 -0.87 -0.06 0.00 -1.15 0.00 0.00 33.47 31.24 2a5c s TRP 10 CO 0.04 0.16 -0.01 -0.08 0.02 0.00 0.00 176.95 177.08 2a5c s THR 11 N -1.29 1.21 0.17 2.01 -1.32 0.12 -0.64 115.64 115.90 2a5c s THR 11 Ca 0.04 -2.05 0.02 0.00 -1.21 0.00 0.00 61.69 58.49 2a5c s THR 11 Cb -0.10 -2.44 -0.01 0.00 -1.51 0.00 0.00 72.50 68.45 2a5c s THR 11 CO 0.04 -0.27 0.06 -0.46 -2.21 0.00 0.00 174.62 171.78 2a5c n ASN 12 N -0.50 0.99 0.26 8.08 0.23 -0.47 -1.18 115.26 122.67 2a5c n ASN 12 Ca -0.05 -1.89 0.14 0.00 -0.53 0.00 0.00 54.58 52.26 2a5c n ASN 12 Cb 0.64 0.44 0.63 0.00 -2.08 0.00 0.00 39.78 39.41 2a5c n ASN 12 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2a5c h ASP 13 N 0.67 0.00 -0.02 0.53 2.03 -1.83 -2.38 116.42 115.43 2a5c h ASP 13 Ca -0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 2a5c h ASP 13 Cb 0.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 2a5c h ASP 13 CO 0.20 0.10 -0.07 0.18 -1.03 0.00 0.00 179.24 178.63 2a5c n LEU 14 N -3.29 2.56 0.00 0.15 4.77 -1.26 -4.97 117.00 114.96 2a5c n LEU 14 Ca -0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2a5c n LEU 14 Cb 0.33 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2a5c n LEU 14 CO 0.30 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2a5c n GLY 15 N 1.33 0.75 3.81 -0.72 0.00 -0.89 -5.06 105.19 104.40 2a5c n GLY 15 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2a5c n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a5c s SER 16 N -2.27 6.66 0.20 1.61 0.15 -1.26 -4.74 113.70 114.05 2a5c s SER 16 Ca 0.00 1.81 0.11 0.00 0.70 0.00 0.00 55.95 58.57 2a5c s SER 16 Cb 0.00 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2a5c s SER 16 CO 0.00 -0.56 -0.23 0.20 1.20 0.00 0.00 173.24 173.85 2a5c s ASN 17 N -2.07 3.47 -0.06 5.45 0.01 0.40 -1.37 114.94 120.77 2a5c s ASN 17 Ca 0.64 -0.88 -0.08 0.00 -0.71 0.00 0.00 52.86 51.83 2a5c s ASN 17 Cb -0.13 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.28 2a5c s ASN 17 CO 0.17 0.11 0.20 0.00 -1.51 0.00 0.00 177.10 176.07 2a5c s MET 18 N -2.76 0.34 -0.07 -0.60 0.23 0.19 -0.79 119.30 115.84 2a5c s MET 18 Ca 0.22 0.09 0.04 0.00 -1.03 0.00 0.00 55.69 55.01 2a5c s MET 18 Cb -0.08 0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 33.36 2a5c s MET 18 CO 0.10 -0.06 -0.17 0.99 -2.03 0.00 0.00 175.02 173.85 2a5c s THR 19 N -0.36 2.77 -0.01 3.16 2.01 -0.12 -0.43 115.64 122.66 2a5c s THR 19 Ca -0.05 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.20 2a5c s THR 19 Cb -0.03 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2a5c s THR 19 CO 0.01 0.57 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.70 2a5c s ILE 20 N -0.35 1.45 0.00 1.82 1.01 -0.47 0.07 121.20 124.73 2a5c s ILE 20 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2a5c s ILE 20 Cb -0.12 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2a5c s ILE 20 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2a5c n GLY 21 N 2.56 1.52 3.75 6.18 0.00 -0.61 -0.92 105.19 117.67 2a5c n GLY 21 Ca -0.15 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 2a5c n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5c s ALA 22 N -3.06 3.50 -0.22 4.61 0.00 -1.26 -4.32 121.76 121.01 2a5c s ALA 22 Ca 0.00 1.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 2a5c s ALA 22 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2a5c s ALA 22 CO 0.00 -0.51 0.41 0.54 0.00 0.00 0.00 175.76 176.19 2a5c s VAL 23 N -0.46 5.18 0.06 0.00 0.11 -1.26 -4.54 120.40 119.50 2a5c s VAL 23 Ca 0.52 0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 60.27 2a5c s VAL 23 Cb -0.37 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 30.76 2a5c s VAL 23 CO 0.43 0.22 0.05 -0.46 -3.33 0.00 0.00 175.10 172.02 2a5c n ASN 24 N 4.70 -1.16 0.15 3.54 0.23 -0.62 -4.86 115.26 117.24 2a5c n ASN 24 Ca -0.08 -0.49 0.02 0.00 -0.53 0.00 0.00 54.58 53.50 2a5c n ASN 24 Cb 0.51 -0.05 0.18 0.00 -2.08 0.00 0.00 39.78 38.34 2a5c n ASN 24 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2a5c h SER 25 N -1.19 0.00 -0.03 0.53 4.64 -1.98 -2.54 113.55 112.99 2a5c h SER 25 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2a5c h SER 25 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2a5c h SER 25 CO 0.01 0.54 0.00 0.54 -0.87 0.00 0.00 176.83 177.06 2a5c n ARG 26 N -3.53 1.12 -1.00 4.77 1.74 -1.26 -4.94 116.66 113.55 2a5c n ARG 26 Ca -0.00 -0.18 -0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2a5c n ARG 26 Cb 0.63 -1.29 -0.00 0.00 -1.02 0.00 0.00 32.46 30.78 2a5c n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a5c n GLY 27 N 0.83 0.47 3.80 -0.13 0.00 -0.96 -4.78 105.19 104.43 2a5c n GLY 27 Ca 0.13 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2a5c n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a5c s GLU 28 N -0.12 4.37 0.01 1.61 2.02 -1.26 0.45 118.70 125.77 2a5c s GLU 28 Ca 0.00 1.08 -0.19 0.00 0.02 0.00 0.00 54.97 55.88 2a5c s GLU 28 Cb 0.00 -2.71 0.04 0.00 0.10 0.00 0.00 34.13 31.55 2a5c s GLU 28 CO 0.00 0.27 0.42 -0.59 0.02 0.00 0.00 175.26 175.38 2a5c s PHE 29 N -1.69 -0.30 0.29 1.61 -0.12 -0.86 -1.59 117.98 115.32 2a5c s PHE 29 Ca 0.50 0.38 0.12 0.00 -0.05 0.00 0.00 56.93 57.87 2a5c s PHE 29 Cb -0.16 0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 2a5c s PHE 29 CO 0.21 -0.52 -0.18 0.99 -0.05 0.00 0.00 175.22 175.67 2a5c s THR 30 N -1.91 2.46 0.00 -4.49 2.01 -1.26 -1.63 115.64 110.82 2a5c s THR 30 Ca -0.09 -2.37 0.00 0.00 0.31 0.00 0.00 61.69 59.54 2a5c s THR 30 Cb -0.02 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.13 2a5c s THR 30 CO 0.02 -0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 2a5c n GLY 31 N -0.65 1.71 3.15 4.40 0.00 -0.61 -1.57 105.19 111.61 2a5c n GLY 31 Ca -0.05 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 2a5c n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5c s THR 32 N -2.70 0.98 -0.10 2.61 2.01 0.11 -1.74 115.64 116.80 2a5c s THR 32 Ca 0.00 -1.28 -0.01 0.00 0.31 0.00 0.00 61.69 60.71 2a5c s THR 32 Cb 0.00 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.55 2a5c s THR 32 CO 0.00 -0.28 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.14 2a5c s TYR 33 N -1.38 1.16 0.06 4.92 6.14 0.99 -0.94 117.35 128.30 2a5c s TYR 33 Ca -0.03 -0.53 0.07 0.00 0.64 0.00 0.00 57.07 57.21 2a5c s TYR 33 Cb -0.10 -1.06 -0.03 0.00 0.42 0.00 0.00 41.96 41.20 2a5c s TYR 33 CO 0.02 -0.45 -0.19 0.99 0.64 0.00 0.00 175.55 176.56 2a5c s THR 34 N 1.81 1.54 0.00 4.34 2.01 0.03 -0.84 115.64 124.53 2a5c s THR 34 Ca 0.05 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.82 2a5c s THR 34 Cb -0.13 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.02 2a5c s THR 34 CO -0.07 0.09 0.00 0.41 -0.69 0.00 0.00 174.62 174.36 2a5c n THR 35 N 1.68 -0.63 -0.40 -0.82 -1.04 -1.26 0.15 114.28 111.96 2a5c n THR 35 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2a5c n THR 35 Cb 0.54 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 2a5c n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a5c n ALA 36 N 0.12 -0.49 -1.42 2.41 0.00 -1.26 0.12 120.51 119.99 2a5c n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2a5c n ALA 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2a5c n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2a5c n VAL 37 N -0.24 0.00 0.00 0.00 0.31 -1.25 -4.99 118.33 112.17 2a5c n VAL 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2a5c n VAL 37 Cb 0.10 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 2a5c n VAL 37 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2a5c n THR 38 N -0.60 0.00 0.00 2.52 5.66 3.40 -4.83 114.28 120.43 2a5c n THR 38 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2a5c n THR 38 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2a5c n THR 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a5c n ALA 39 N -3.00 0.00 -0.65 1.79 0.00 -1.26 0.18 120.51 117.56 2a5c n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2a5c n ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2a5c n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2a5c n THR 40 N 0.00 0.00 -0.16 0.00 5.66 -1.26 -4.41 114.28 114.11 2a5c n THR 40 Ca 0.00 0.77 0.00 0.00 -3.05 0.00 0.00 64.05 61.77 2a5c n THR 40 Cb 0.00 -1.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 2a5c n THR 40 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2a5c n SER 41 N -1.07 0.00 0.00 1.09 2.88 0.35 -5.13 113.62 111.74 2a5c n SER 41 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a5c n SER 41 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2a5c n SER 41 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2a5c n ASN 42 N 4.36 0.00 -3.51 -3.46 2.85 0.47 0.71 115.26 116.67 2a5c n ASN 42 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 2a5c n ASN 42 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 2a5c n ASN 42 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2a5c s GLU 43 N 0.00 0.90 -0.08 1.20 0.41 -1.26 -4.82 118.70 115.05 2a5c s GLU 43 Ca 0.00 -0.14 -0.21 0.00 -0.41 0.00 0.00 54.97 54.21 2a5c s GLU 43 Cb 0.00 0.42 -0.04 0.00 -1.78 0.00 0.00 34.13 32.73 2a5c s GLU 43 CO 0.00 -0.36 0.62 0.96 -0.49 0.00 0.00 175.26 175.99 2a5c s ILE 44 N -2.47 5.08 0.23 -1.63 -5.25 -1.26 -3.77 121.20 112.13 2a5c s ILE 44 Ca -0.00 1.27 0.05 0.00 -0.99 0.00 0.00 60.65 60.97 2a5c s ILE 44 Cb -0.01 -3.96 -0.03 0.00 2.95 0.00 0.00 42.46 41.41 2a5c s ILE 44 CO -0.04 0.29 0.33 -0.54 -1.79 0.00 0.00 174.94 173.19 2a5c s LYS 45 N 0.64 3.38 -0.04 0.37 -0.14 0.33 -4.87 119.74 119.41 2a5c s LYS 45 Ca 0.33 -0.77 0.02 0.00 -1.36 0.00 0.00 55.97 54.19 2a5c s LYS 45 Cb -0.17 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.13 2a5c s LYS 45 CO 0.15 0.44 -0.09 -2.00 -0.76 0.00 0.00 175.35 173.10 2a5c s GLU 46 N -3.85 1.10 0.02 1.68 2.12 -1.26 -4.22 118.70 114.30 2a5c s GLU 46 Ca 0.34 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.42 2a5c s GLU 46 Cb -0.09 -1.00 -0.01 0.00 0.26 0.00 0.00 34.13 33.28 2a5c s GLU 46 CO 0.28 0.04 -0.08 -1.12 -0.54 0.00 0.00 175.26 173.84 2a5c s SER 47 N 0.51 0.94 0.43 -1.70 0.01 -0.02 -4.73 113.70 109.15 2a5c s SER 47 Ca -0.08 -0.33 -0.22 0.00 1.31 0.00 0.00 55.95 56.63 2a5c s SER 47 Cb -0.12 -0.04 -0.10 0.00 0.21 0.00 0.00 66.02 65.97 2a5c s SER 47 CO 0.01 -0.03 0.99 -2.16 0.41 0.00 0.00 173.24 172.46 2a5c s PRO 48 N -0.84 4.14 0.09 12.44 0.05 -1.26 -0.01 135.00 149.62 2a5c s PRO 48 Ca -0.02 1.27 0.06 0.00 0.05 0.00 0.00 61.00 62.36 2a5c s PRO 48 Cb -0.06 -2.28 -0.03 0.00 0.05 0.00 0.00 34.50 32.17 2a5c s PRO 48 CO 0.00 -0.12 -0.15 -0.48 0.05 0.00 0.00 177.00 176.30 2a5c s LEU 49 N -3.05 2.31 -0.07 -3.56 -0.00 -0.71 -2.53 118.68 111.07 2a5c s LEU 49 Ca 0.61 -0.68 -0.04 0.00 -0.00 0.00 0.00 54.13 54.02 2a5c s LEU 49 Cb -0.14 -0.59 0.03 0.00 -0.00 0.00 0.00 46.19 45.49 2a5c s LEU 49 CO 0.18 -0.07 0.17 -1.00 -0.00 0.00 0.00 176.35 175.64 2a5c s HIS 50 N -1.47 -0.20 0.00 3.48 3.76 -0.95 -1.57 115.29 118.34 2a5c s HIS 50 Ca 0.02 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 2a5c s HIS 50 Cb -0.09 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.59 2a5c s HIS 50 CO 0.03 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 2a5c n GLY 51 N 3.86 2.37 2.98 -2.22 0.00 -0.65 -0.77 105.19 110.76 2a5c n GLY 51 Ca -0.22 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 2a5c n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5c s THR 52 N -2.84 0.10 0.01 2.61 -4.23 -0.54 -2.02 115.64 108.73 2a5c s THR 52 Ca 0.00 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 2a5c s THR 52 Cb 0.00 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 2a5c s THR 52 CO 0.00 -0.45 -0.01 -1.83 -0.54 0.00 0.00 174.62 171.79 2a5c s GLU 53 N -1.32 2.72 -0.11 3.99 -1.05 0.17 -1.47 118.70 121.63 2a5c s GLU 53 Ca -0.14 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.72 2a5c s GLU 53 Cb -0.09 -2.63 -0.01 0.00 -0.44 0.00 0.00 34.13 30.96 2a5c s GLU 53 CO -0.01 0.61 1.05 1.21 0.95 0.00 0.00 175.26 179.07 2a5c s ASN 54 N -1.66 7.19 0.00 0.83 3.84 0.02 -4.50 114.94 120.66 2a5c s ASN 54 Ca 0.20 1.57 0.23 0.00 0.21 0.00 0.00 52.86 55.08 2a5c s ASN 54 Cb -0.11 -2.55 0.43 0.00 -0.55 0.00 0.00 41.25 38.46 2a5c s ASN 54 CO 0.11 -0.50 1.40 0.35 -2.79 0.00 0.00 177.10 175.68 2a5c n THR 55 N 4.65 0.38 -1.98 -5.21 -2.24 -1.26 -4.58 114.28 104.03 2a5c n THR 55 Ca 0.10 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 2a5c n THR 55 Cb 0.48 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 2a5c n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2a5c s ILE 56 N -1.62 3.54 -0.98 2.28 -1.09 -1.26 -1.57 121.20 120.50 2a5c s ILE 56 Ca 0.36 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 2a5c s ILE 56 Cb 0.22 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 2a5c s ILE 56 CO 0.31 -0.06 0.00 0.59 -1.23 0.00 0.00 174.94 174.55 2a5c n ASN 57 N 7.15 -3.76 -3.55 3.58 3.02 -1.26 -4.18 115.26 116.27 2a5c n ASN 57 Ca 0.17 0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.70 2a5c n ASN 57 Cb 0.43 -2.74 -0.00 0.00 -0.61 0.00 0.00 39.78 36.85 2a5c n ASN 57 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2a5c n LYS 58 N -2.24 -0.89 -1.95 3.52 5.02 -0.61 -4.76 118.16 116.26 2a5c n LYS 58 Ca -0.12 -0.26 -0.37 0.00 -2.02 0.00 0.00 58.31 55.54 2a5c n LYS 58 Cb 0.52 -0.19 0.04 0.00 -0.02 0.00 0.00 35.03 35.38 2a5c n LYS 58 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2a5c s ARG 59 N -5.13 3.05 0.38 1.97 1.81 -1.26 -4.92 118.95 114.84 2a5c s ARG 59 Ca 0.08 1.96 0.17 0.00 -1.72 0.00 0.00 55.73 56.22 2a5c s ARG 59 Cb -0.05 -2.06 0.75 0.00 -0.45 0.00 0.00 34.95 33.15 2a5c s ARG 59 CO 0.24 -1.18 1.79 1.79 -0.68 0.00 0.00 175.30 177.26 2a5c h THR 60 N 1.10 1.04 -2.53 0.02 1.35 -1.86 -3.35 112.91 108.67 2a5c h THR 60 Ca -0.51 -1.40 -0.60 0.00 -0.55 0.00 0.00 66.41 63.35 2a5c h THR 60 Cb 1.30 1.80 -0.42 0.00 -1.73 0.00 0.00 68.15 69.11 2a5c h THR 60 CO 0.56 0.37 -0.65 0.00 -0.25 0.00 0.00 175.52 175.55 2a5c n GLN 61 N -3.76 1.97 -1.85 4.72 6.02 -1.26 -0.99 117.38 122.22 2a5c n GLN 61 Ca -0.01 -4.40 -0.31 0.00 -0.01 0.00 0.00 57.00 52.27 2a5c n GLN 61 Cb 0.46 -2.15 0.02 0.00 1.02 0.00 0.00 30.24 29.58 2a5c n GLN 61 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a5c s PRO 62 N -1.83 3.42 0.46 -1.09 0.04 -1.26 -4.64 135.00 130.10 2a5c s PRO 62 Ca 0.33 0.87 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2a5c s PRO 62 Cb 0.07 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2a5c s PRO 62 CO -0.09 -0.72 0.80 0.95 0.04 0.00 0.00 177.00 177.98 2a5c s THR 63 N -3.02 4.85 0.20 1.26 -4.23 -1.26 -2.19 115.64 111.26 2a5c s THR 63 Ca 0.57 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 61.36 2a5c s THR 63 Cb -0.12 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.90 2a5c s THR 63 CO 0.50 -0.75 0.41 0.72 -0.54 0.00 0.00 174.62 174.97 2a5c s PHE 64 N -2.63 0.26 0.03 3.99 -0.12 -0.27 -0.80 117.98 118.44 2a5c s PHE 64 Ca 0.49 -0.62 -0.03 0.00 -0.05 0.00 0.00 56.93 56.73 2a5c s PHE 64 Cb -0.10 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 2a5c s PHE 64 CO 0.40 -0.87 0.02 0.20 -0.05 0.00 0.00 175.22 174.93 2a5c s GLY 65 N -2.97 0.25 0.03 1.99 0.00 -0.54 -2.14 107.32 103.94 2a5c s GLY 65 Ca 0.17 -0.67 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 2a5c s GLY 65 CO 0.03 -0.78 0.60 -0.11 0.00 0.00 0.00 173.10 172.85 2a5c s PHE 66 N -2.34 -0.55 -0.13 1.90 -0.71 -0.28 -1.46 117.98 114.41 2a5c s PHE 66 Ca -0.08 0.71 -0.01 0.00 -1.04 0.00 0.00 56.93 56.52 2a5c s PHE 66 Cb -0.03 0.42 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 2a5c s PHE 66 CO -0.04 -0.68 -0.11 0.99 -1.34 0.00 0.00 175.22 174.05 2a5c s THR 67 N -2.21 3.24 -0.26 -4.49 2.01 0.05 -1.12 115.64 112.85 2a5c s THR 67 Ca -0.06 -0.60 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 2a5c s THR 67 Cb -0.01 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2a5c s THR 67 CO 0.01 0.52 0.14 -0.69 -0.69 0.00 0.00 174.62 173.91 2a5c s VAL 68 N 0.32 4.98 -0.96 3.82 1.01 0.12 -2.24 120.40 127.46 2a5c s VAL 68 Ca -0.09 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2a5c s VAL 68 Cb -0.15 -3.35 0.20 0.00 0.00 0.00 0.00 36.38 33.07 2a5c s VAL 68 CO 0.05 0.30 1.03 0.21 0.00 0.00 0.00 175.10 176.69 2a5c s ASN 69 N 1.57 6.86 0.27 3.32 3.04 -1.05 -1.67 114.94 127.28 2a5c s ASN 69 Ca 0.07 -2.69 -0.30 0.00 0.04 0.00 0.00 52.86 49.97 2a5c s ASN 69 Cb -0.15 -2.29 -0.13 0.00 -1.54 0.00 0.00 41.25 37.14 2a5c s ASN 69 CO 0.08 -0.70 1.43 0.79 -3.04 0.00 0.00 177.10 175.66 2a5c n TRP 70 N 4.77 2.33 0.06 0.43 7.02 -1.19 -4.26 117.44 126.60 2a5c n TRP 70 Ca 0.22 0.41 0.01 0.00 -1.02 0.00 0.00 57.50 57.12 2a5c n TRP 70 Cb 0.46 -2.48 -0.06 0.00 -2.42 0.00 0.00 31.31 26.81 2a5c n TRP 70 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2a5c h LYS 71 N 4.06 0.00 -0.41 -0.99 1.79 -1.91 -3.36 116.57 115.75 2a5c h LYS 71 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2a5c h LYS 71 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2a5c h LYS 71 CO 0.74 0.31 0.00 1.97 -1.08 0.00 0.00 179.45 181.40 2a5c n PHE 72 N -2.94 0.53 -3.99 -1.35 1.16 -1.26 -4.99 117.46 104.62 2a5c n PHE 72 Ca -0.07 -0.27 -0.11 0.00 -1.87 0.00 0.00 57.45 55.14 2a5c n PHE 72 Cb 0.80 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.64 2a5c n PHE 72 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2a5c s SER 73 N -1.44 0.26 0.00 5.98 1.04 -1.26 -5.02 113.70 113.26 2a5c s SER 73 Ca 0.39 -1.14 0.10 0.00 0.48 0.00 0.00 55.95 55.78 2a5c s SER 73 Cb 0.23 0.67 0.40 0.00 0.10 0.00 0.00 66.02 67.42 2a5c s SER 73 CO 0.32 -1.31 1.29 -0.62 0.98 0.00 0.00 173.24 173.90 2a5c n GLU 74 N -0.48 1.45 -3.03 4.02 1.02 -1.26 -4.73 120.64 117.63 2a5c n GLU 74 Ca -0.02 -0.69 -0.27 0.00 -0.02 0.00 0.00 57.16 56.16 2a5c n GLU 74 Cb 0.61 -1.21 -0.01 0.00 -0.02 0.00 0.00 31.44 30.80 2a5c n GLU 74 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2a5c s SER 75 N -1.18 6.33 0.01 1.62 0.01 -1.26 -4.40 113.70 114.84 2a5c s SER 75 Ca 0.19 0.76 0.05 0.00 1.31 0.00 0.00 55.95 58.26 2a5c s SER 75 Cb 0.10 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 2a5c s SER 75 CO 0.14 -0.40 -0.16 -0.89 0.41 0.00 0.00 173.24 172.34 2a5c s THR 76 N -2.44 1.27 -0.06 1.44 2.01 -0.89 -3.18 115.64 113.79 2a5c s THR 76 Ca 0.45 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.65 2a5c s THR 76 Cb -0.10 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2a5c s THR 76 CO 0.38 0.22 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.40 2a5c s THR 77 N -0.58 1.94 -0.08 -0.82 2.01 -0.67 0.04 115.64 117.48 2a5c s THR 77 Ca 0.05 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2a5c s THR 77 Cb -0.07 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2a5c s THR 77 CO 0.00 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.05 2a5c s VAL 78 N -0.08 3.37 -0.05 3.82 -7.23 -0.03 0.16 120.40 120.36 2a5c s VAL 78 Ca -0.05 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 2a5c s VAL 78 Cb -0.14 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2a5c s VAL 78 CO 0.04 0.57 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.90 2a5c s PHE 79 N -0.48 2.70 0.02 2.82 0.40 -0.28 -0.89 117.98 122.28 2a5c s PHE 79 Ca 0.06 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 2a5c s PHE 79 Cb -0.12 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 2a5c s PHE 79 CO 0.02 0.17 -0.05 -0.08 0.70 0.00 0.00 175.22 175.99 2a5c s THR 80 N -0.69 0.29 -0.26 0.64 -1.32 0.13 -1.13 115.64 113.30 2a5c s THR 80 Ca 0.11 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 2a5c s THR 80 Cb -0.11 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 2a5c s THR 80 CO 0.01 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 2a5c n GLY 81 N 1.94 -0.74 2.92 6.08 0.00 -0.91 0.37 105.19 114.85 2a5c n GLY 81 Ca -0.20 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2a5c n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5c s GLN 82 N -0.10 0.14 -0.48 1.61 0.74 -0.79 -1.11 119.66 119.66 2a5c s GLN 82 Ca 0.00 -0.25 -0.20 0.00 0.05 0.00 0.00 55.36 54.96 2a5c s GLN 82 Cb 0.00 0.02 0.04 0.00 1.10 0.00 0.00 33.01 34.18 2a5c s GLN 82 CO 0.00 -0.01 0.65 0.00 -0.55 0.00 0.00 175.29 175.38 2a5c s PHE 84 N 2.80 2.83 -0.25 0.00 0.08 0.39 -4.22 117.98 119.61 2a5c s PHE 84 Ca 0.19 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 2a5c s PHE 84 Cb -0.17 -2.29 0.13 0.00 -0.57 0.00 0.00 43.02 40.12 2a5c s PHE 84 CO 0.15 -0.32 0.50 0.96 -0.10 0.00 0.00 175.22 176.41 2a5c s ILE 85 N -2.35 -0.79 0.03 0.64 -4.36 -1.26 -1.72 121.20 111.40 2a5c s ILE 85 Ca 0.53 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 2a5c s ILE 85 Cb -0.09 -0.84 0.00 0.00 1.25 0.00 0.00 42.46 42.79 2a5c s ILE 85 CO 0.32 0.00 0.00 -0.67 0.24 0.00 0.00 174.94 174.83 2a5c n ASP 86 N 5.41 -2.30 -3.24 4.36 2.03 -1.26 -4.98 116.55 116.56 2a5c n ASP 86 Ca -0.07 0.09 -0.37 0.00 0.52 0.00 0.00 54.79 54.96 2a5c n ASP 86 Cb 0.50 0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 41.46 2a5c n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a5c n ARG 87 N -0.54 3.86 0.00 -0.67 1.74 -1.26 -4.36 116.66 115.42 2a5c n ARG 87 Ca 0.00 -2.60 0.00 0.00 -0.77 0.00 0.00 57.85 54.48 2a5c n ARG 87 Cb 0.00 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 2a5c n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2a5c n ASN 88 N 2.66 0.00 0.00 0.55 3.02 -1.26 -4.78 115.26 115.45 2a5c n ASN 88 Ca 0.69 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 2a5c n ASN 88 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2a5c n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a5c n GLY 89 N 0.00 0.24 3.62 7.41 0.00 -1.26 -5.13 105.19 110.07 2a5c n GLY 89 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 2a5c n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a5c n LYS 90 N 0.00 2.21 -2.77 1.61 4.81 -1.26 -4.97 118.16 117.78 2a5c n LYS 90 Ca 0.00 0.68 -0.38 0.00 -0.87 0.00 0.00 58.31 57.74 2a5c n LYS 90 Cb 0.00 -3.15 -0.06 0.00 0.02 0.00 0.00 35.03 31.84 2a5c n LYS 90 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2a5c s GLU 91 N 5.78 4.69 -0.06 1.64 2.02 -1.26 -4.41 118.70 127.09 2a5c s GLU 91 Ca 0.98 1.38 -0.04 0.00 0.02 0.00 0.00 54.97 57.31 2a5c s GLU 91 Cb -0.38 -2.99 0.03 0.00 0.10 0.00 0.00 34.13 30.89 2a5c s GLU 91 CO 0.38 0.38 0.15 0.54 0.02 0.00 0.00 175.26 176.72 2a5c s VAL 92 N -1.44 -0.03 -0.24 2.63 0.11 -0.70 -4.42 120.40 116.31 2a5c s VAL 92 Ca 0.46 0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 59.52 2a5c s VAL 92 Cb -0.21 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2a5c s VAL 92 CO 0.27 0.04 0.12 -0.76 -3.33 0.00 0.00 175.10 171.43 2a5c s LEU 93 N 0.65 3.78 -0.30 2.54 1.43 -0.53 -0.47 118.68 125.79 2a5c s LEU 93 Ca -0.05 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2a5c s LEU 93 Cb -0.06 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2a5c s LEU 93 CO -0.03 0.02 0.10 -0.54 0.23 0.00 0.00 176.35 176.13 2a5c s LYS 94 N 1.31 3.14 0.28 1.70 -0.14 -0.83 -1.13 119.74 124.06 2a5c s LYS 94 Ca 0.06 -0.83 0.10 0.00 -1.36 0.00 0.00 55.97 53.94 2a5c s LYS 94 Cb -0.15 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.52 2a5c s LYS 94 CO 0.05 -0.45 -0.16 0.95 -0.76 0.00 0.00 175.35 174.98 2a5c s THR 95 N 1.53 2.25 0.06 2.17 -4.23 0.33 -1.88 115.64 115.87 2a5c s THR 95 Ca 0.03 -2.32 0.07 0.00 -1.18 0.00 0.00 61.69 58.29 2a5c s THR 95 Cb -0.17 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 2a5c s THR 95 CO 0.03 -0.39 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.50 2a5c s MET 96 N -3.57 1.13 0.14 3.99 -1.94 0.16 -2.19 119.30 117.03 2a5c s MET 96 Ca 0.29 -0.95 0.05 0.00 -1.71 0.00 0.00 55.69 53.37 2a5c s MET 96 Cb -0.02 -1.25 -0.04 0.00 2.01 0.00 0.00 34.83 35.53 2a5c s MET 96 CO 0.14 0.31 -0.13 1.67 -0.01 0.00 0.00 175.02 177.00 2a5c s TRP 97 N -0.96 1.37 -0.09 -0.03 1.48 -0.27 0.19 118.94 120.62 2a5c s TRP 97 Ca 0.05 -0.63 0.03 0.00 -1.06 0.00 0.00 56.10 54.49 2a5c s TRP 97 Cb -0.09 -0.70 0.01 0.00 -1.16 0.00 0.00 33.47 31.53 2a5c s TRP 97 CO 0.02 0.14 -0.19 -0.51 -4.06 0.00 0.00 176.95 172.35 2a5c s LEU 98 N -2.78 1.92 -0.31 -4.66 1.43 -0.07 -2.08 118.68 112.13 2a5c s LEU 98 Ca 0.13 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2a5c s LEU 98 Cb -0.02 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 45.03 2a5c s LEU 98 CO 0.02 0.10 0.06 -0.22 0.23 0.00 0.00 176.35 176.55 2a5c s LEU 99 N 0.52 3.95 -0.22 1.79 2.96 0.25 -0.85 118.68 127.09 2a5c s LEU 99 Ca -0.16 -0.96 -0.15 0.00 -0.22 0.00 0.00 54.13 52.64 2a5c s LEU 99 Cb -0.17 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2a5c s LEU 99 CO 0.06 -0.24 0.36 -0.60 -1.32 0.00 0.00 176.35 174.61 2a5c s ARG 100 N 1.41 4.13 0.30 1.98 6.06 0.11 -0.83 118.95 132.11 2a5c s ARG 100 Ca -0.00 0.11 -0.06 0.00 -2.50 0.00 0.00 55.73 53.28 2a5c s ARG 100 Cb -0.18 -3.56 -0.05 0.00 0.06 0.00 0.00 34.95 31.22 2a5c s ARG 100 CO 0.01 -0.07 0.57 -1.12 -2.50 0.00 0.00 175.30 172.20 2a5c s SER 101 N 1.14 6.46 -0.02 -2.12 0.01 0.35 -2.09 113.70 117.43 2a5c s SER 101 Ca 0.17 0.76 -0.30 0.00 1.31 0.00 0.00 55.95 57.89 2a5c s SER 101 Cb -0.15 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2a5c s SER 101 CO 0.08 -0.21 1.06 -0.55 0.41 0.00 0.00 173.24 174.03 2a5c s SER 102 N -3.11 7.24 0.26 2.44 0.15 -1.26 -4.86 113.70 114.56 2a5c s SER 102 Ca 0.45 1.72 0.11 0.00 0.70 0.00 0.00 55.95 58.92 2a5c s SER 102 Cb -0.11 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 2a5c s SER 102 CO 0.29 -0.39 -0.13 0.68 1.20 0.00 0.00 173.24 174.89 2a5c s VAL 103 N 1.43 2.83 -0.05 4.45 -7.23 -1.26 -5.06 120.40 115.51 2a5c s VAL 103 Ca 0.53 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.46 2a5c s VAL 103 Cb -0.22 -2.48 -0.28 0.00 0.56 0.00 0.00 36.38 33.95 2a5c s VAL 103 CO 0.25 -0.36 0.66 0.78 -0.31 0.00 0.00 175.10 176.12 2a5c h ASN 104 N 2.24 0.47 -3.67 4.85 2.35 -1.97 -3.45 115.58 116.39 2a5c h ASN 104 Ca -0.42 -0.76 -0.67 0.00 -0.55 0.00 0.00 56.30 53.89 2a5c h ASN 104 Cb 1.25 -0.15 -0.24 0.00 0.05 0.00 0.00 38.32 39.22 2a5c h ASN 104 CO 0.59 1.65 -0.76 -0.62 -1.65 0.00 0.00 177.43 176.64 2a5c s ASP 105 N -7.07 4.10 0.47 5.81 -1.08 -1.26 -4.98 116.67 112.67 2a5c s ASP 105 Ca -0.15 -0.24 0.16 0.00 -0.52 0.00 0.00 52.55 51.81 2a5c s ASP 105 Cb 0.06 -1.24 0.88 0.00 -1.46 0.00 0.00 42.92 41.17 2a5c s ASP 105 CO 0.83 0.26 1.43 -0.29 0.52 0.00 0.00 175.17 177.92 2a5c h ILE 106 N 4.82 0.00 0.00 4.11 2.10 -2.02 -0.36 117.51 126.16 2a5c h ILE 106 Ca -0.37 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.53 2a5c h ILE 106 Cb 1.18 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.27 2a5c h ILE 106 CO 0.53 0.00 -0.19 1.23 -1.08 0.00 0.00 178.15 178.65 2a5c h GLY 107 N 0.00 0.00 -0.70 8.18 0.00 -1.99 -2.66 103.07 105.90 2a5c h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a5c h GLY 107 CO 0.00 0.00 -0.03 1.22 0.00 0.00 0.00 176.54 177.73 2a5c n ASP 108 N -3.39 1.76 -0.34 0.19 8.00 -0.15 -4.52 116.55 118.11 2a5c n ASP 108 Ca -0.00 -1.55 0.15 0.00 0.71 0.00 0.00 54.79 54.10 2a5c n ASP 108 Cb 0.39 0.02 0.36 0.00 -0.02 0.00 0.00 41.12 41.87 2a5c n ASP 108 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2a5c h ASP 109 N 2.71 0.72 -0.05 -2.24 3.58 -1.56 -2.32 116.42 117.27 2a5c h ASP 109 Ca 0.00 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2a5c h ASP 109 Cb 0.60 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2a5c h ASP 109 CO 0.00 0.23 0.08 4.11 -2.88 0.00 0.00 179.24 180.79 2a5c h TRP 110 N 0.69 0.00 -0.55 0.28 5.08 -1.83 -2.13 115.95 117.49 2a5c h TRP 110 Ca 0.58 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.55 2a5c h TRP 110 Cb 1.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.16 2a5c h TRP 110 CO -0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 2a5c n LYS 111 N -3.58 3.31 -0.02 0.12 2.85 -0.87 -4.61 118.16 115.38 2a5c n LYS 111 Ca -0.02 -2.68 0.13 0.00 -1.05 0.00 0.00 58.31 54.69 2a5c n LYS 111 Cb 0.17 -1.71 0.25 0.00 -0.65 0.00 0.00 35.03 33.09 2a5c n LYS 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2a5c n ALA 112 N 0.86 2.50 -4.01 0.58 0.00 -0.80 -4.84 120.51 114.80 2a5c n ALA 112 Ca 0.22 -0.63 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 2a5c n ALA 112 Cb 0.75 -0.93 -0.16 0.00 0.00 0.00 0.00 19.45 19.11 2a5c n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2a5c s THR 113 N -1.96 1.67 0.10 0.00 2.01 -1.26 -0.50 115.64 115.71 2a5c s THR 113 Ca 0.32 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.37 2a5c s THR 113 Cb 0.20 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 2a5c s THR 113 CO 0.31 0.24 0.25 -0.13 -0.69 0.00 0.00 174.62 174.59 2a5c s ARG 114 N 1.40 3.44 0.11 4.92 0.52 -0.01 -4.93 118.95 124.40 2a5c s ARG 114 Ca -0.00 -0.51 0.08 0.00 -0.52 0.00 0.00 55.73 54.79 2a5c s ARG 114 Cb -0.16 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 2a5c s ARG 114 CO -0.09 0.57 -0.21 0.54 0.02 0.00 0.00 175.30 176.13 2a5c s VAL 115 N -1.62 1.77 0.00 3.52 0.11 -1.26 -0.58 120.40 122.34 2a5c s VAL 115 Ca 0.35 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 2a5c s VAL 115 Cb -0.12 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 2a5c s VAL 115 CO 0.28 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 2a5c n GLY 116 N 1.04 1.85 3.34 6.54 0.00 -0.88 -5.00 105.19 112.07 2a5c n GLY 116 Ca -0.19 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 2a5c n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2a5c s ILE 117 N -2.55 1.36 -0.13 -0.61 -4.36 -1.26 -1.12 121.20 112.53 2a5c s ILE 117 Ca 0.00 -2.10 -0.08 0.00 -0.26 0.00 0.00 60.65 58.21 2a5c s ILE 117 Cb 0.00 -2.20 0.05 0.00 1.25 0.00 0.00 42.46 41.56 2a5c s ILE 117 CO 0.00 -0.47 0.32 0.20 0.24 0.00 0.00 174.94 175.23 2a5c s ASN 118 N -3.31 -0.36 -0.17 4.36 0.02 -0.93 -4.91 114.94 109.64 2a5c s ASN 118 Ca 0.25 0.67 -0.07 0.00 -1.02 0.00 0.00 52.86 52.69 2a5c s ASN 118 Cb 0.03 0.59 -0.04 0.00 0.02 0.00 0.00 41.25 41.85 2a5c s ASN 118 CO 0.07 -0.16 0.07 -0.63 0.02 0.00 0.00 177.10 176.47 2a5c s ILE 119 N 1.00 4.87 -0.06 0.60 1.01 -1.26 -0.51 121.20 126.85 2a5c s ILE 119 Ca -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.62 2a5c s ILE 119 Cb -0.07 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 2a5c s ILE 119 CO -0.07 0.48 -0.18 -0.36 0.00 0.00 0.00 174.94 174.80 2a5c s PHE 120 N 0.20 2.60 0.23 3.97 0.40 -0.29 -2.56 117.98 122.54 2a5c s PHE 120 Ca 0.05 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 56.07 2a5c s PHE 120 Cb -0.12 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 2a5c s PHE 120 CO 0.00 0.00 -0.16 0.95 0.70 0.00 0.00 175.22 176.72 2a5c s THR 121 N -0.42 1.94 0.30 0.64 -4.23 -0.32 -1.45 115.64 112.10 2a5c s THR 121 Ca 0.05 -2.26 -0.29 0.00 -1.18 0.00 0.00 61.69 58.00 2a5c s THR 121 Cb -0.12 -2.12 -0.10 0.00 1.34 0.00 0.00 72.50 71.49 2a5c s THR 121 CO 0.02 -0.54 1.41 -0.13 -0.54 0.00 0.00 174.62 174.84 2a5c s ARG 122 N -3.61 4.26 0.00 3.99 0.52 -1.26 -0.70 118.95 122.15 2a5c s ARG 122 Ca 0.25 2.34 0.16 0.00 -0.52 0.00 0.00 55.73 57.95 2a5c s ARG 122 Cb -0.02 -3.07 0.94 0.00 0.52 0.00 0.00 34.95 33.33 2a5c s ARG 122 CO 0.09 -0.37 1.35 -0.11 0.02 0.00 0.00 175.30 176.28