#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiz s SER 2 N 0.00 2.62 0.00 0.00 1.04 -1.26 -4.08 113.70 112.01 2aiz s SER 2 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2aiz s SER 2 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2aiz s SER 2 CO 0.00 -0.40 0.00 -0.24 0.98 0.00 0.00 173.24 173.58 2aiz n SER 3 N 5.10 0.00 -0.02 7.02 2.88 -1.26 -4.97 113.62 122.37 2aiz n SER 3 Ca -0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 2aiz n SER 3 Cb 0.43 0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.77 2aiz n SER 3 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2aiz n SER 4 N -1.43 1.07 -3.73 -3.46 2.88 -1.26 -4.97 113.62 102.72 2aiz n SER 4 Ca 0.00 0.39 -0.14 0.00 -1.33 0.00 0.00 58.87 57.79 2aiz n SER 4 Cb 0.00 -0.19 -0.08 0.00 -0.75 0.00 0.00 64.21 63.19 2aiz n SER 4 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2aiz s ASN 5 N -6.24 -0.24 0.04 -3.46 3.04 -1.26 -5.16 114.94 101.67 2aiz s ASN 5 Ca -0.07 0.14 -0.19 0.00 0.04 0.00 0.00 52.86 52.78 2aiz s ASN 5 Cb 0.08 0.34 -0.06 0.00 -1.54 0.00 0.00 41.25 40.07 2aiz s ASN 5 CO 0.82 -0.48 0.55 0.21 -3.04 0.00 0.00 177.10 175.16 2aiz s ASN 6 N -1.37 7.01 0.13 -4.21 3.84 -1.26 -4.57 114.94 114.51 2aiz s ASN 6 Ca -0.13 1.20 0.18 0.00 0.21 0.00 0.00 52.86 54.33 2aiz s ASN 6 Cb -0.04 -2.35 0.78 0.00 -0.55 0.00 0.00 41.25 39.09 2aiz s ASN 6 CO 0.04 0.24 1.57 0.47 -2.79 0.00 0.00 177.10 176.63 2aiz n ASP 7 N 2.00 0.33 -4.63 -4.21 8.00 -1.26 -4.62 116.55 112.15 2aiz n ASP 7 Ca -0.10 0.59 -0.40 0.00 0.71 0.00 0.00 54.79 55.59 2aiz n ASP 7 Cb 0.51 -0.65 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aiz s ALA 8 N -3.16 3.58 0.30 2.24 0.00 -1.26 -5.06 121.76 118.40 2aiz s ALA 8 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2aiz s ALA 8 Cb 0.09 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2aiz s ALA 8 CO 0.31 -0.68 0.00 0.00 0.00 0.00 0.00 175.76 175.39 2aiz n ALA 9 N 5.39 0.00 -0.00 0.00 0.00 -1.26 -5.09 120.51 119.54 2aiz n ALA 9 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 2aiz n ALA 9 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2aiz n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiz n GLY 10 N 5.00 -0.54 3.16 0.00 0.00 -1.26 -5.05 105.19 106.50 2aiz n GLY 10 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2aiz n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aiz s ASN 11 N -3.57 -0.16 0.38 1.61 2.47 -1.26 -5.03 114.94 109.38 2aiz s ASN 11 Ca -0.00 0.12 0.16 0.00 0.42 0.00 0.00 52.86 53.55 2aiz s ASN 11 Cb 0.00 1.14 0.78 0.00 -1.45 0.00 0.00 41.25 41.72 2aiz s ASN 11 CO 0.00 -0.03 1.82 1.23 -3.72 0.00 0.00 177.10 176.41 2aiz h GLY 12 N 7.87 0.00 0.46 1.21 0.00 -2.01 -3.28 103.07 107.31 2aiz h GLY 12 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2aiz h GLY 12 CO -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.10 2aiz h ALA 13 N 1.64 -1.12 -2.37 3.60 0.00 -2.06 -3.46 119.26 115.50 2aiz h ALA 13 Ca -0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 2aiz h ALA 13 Cb 0.69 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 2aiz h ALA 13 CO 0.05 -1.09 -0.71 0.00 0.00 0.00 0.00 179.25 177.50 2aiz s ALA 14 N -4.66 1.08 0.78 0.00 0.00 -1.24 -5.16 121.76 112.57 2aiz s ALA 14 Ca -0.11 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 2aiz s ALA 14 Cb 0.02 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.30 2aiz s ALA 14 CO 0.33 -0.16 1.13 -0.65 0.00 0.00 0.00 175.76 176.41 2aiz s GLN 15 N -3.51 2.23 0.08 0.00 -1.52 -1.26 -4.55 119.66 111.13 2aiz s GLN 15 Ca 0.11 0.38 0.05 0.00 -1.95 0.00 0.00 55.36 53.95 2aiz s GLN 15 Cb 0.02 -1.96 -0.03 0.00 -0.22 0.00 0.00 33.01 30.83 2aiz s GLN 15 CO -0.02 -1.46 -0.14 0.95 -0.25 0.00 0.00 175.29 174.36 2aiz s THR 16 N -3.37 1.13 -0.22 -0.19 -4.23 -1.26 -4.18 115.64 103.33 2aiz s THR 16 Ca 0.60 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2aiz s THR 16 Cb -0.12 -1.13 0.07 0.00 1.34 0.00 0.00 72.50 72.66 2aiz s THR 16 CO 0.52 -0.25 0.08 -0.36 -0.54 0.00 0.00 174.62 174.06 2aiz s PHE 17 N -1.39 0.70 0.00 3.99 0.40 0.38 -4.83 117.98 117.23 2aiz s PHE 17 Ca -0.01 -0.77 0.00 0.00 -0.60 0.00 0.00 56.93 55.55 2aiz s PHE 17 Cb -0.09 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.47 2aiz s PHE 17 CO 0.02 -0.64 0.00 0.41 0.70 0.00 0.00 175.22 175.71 2aiz n GLY 18 N 5.14 0.00 0.00 4.36 0.00 -1.26 -2.61 105.19 110.83 2aiz n GLY 18 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2aiz n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiz n GLY 19 N 0.86 4.67 3.52 -0.02 0.00 -1.26 -4.80 105.19 108.15 2aiz n GLY 19 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 2aiz n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aiz s TYR 20 N 0.00 1.99 0.11 1.61 2.02 -1.07 -5.01 117.35 116.99 2aiz s TYR 20 Ca 0.00 -0.99 0.01 0.00 -0.37 0.00 0.00 57.07 55.72 2aiz s TYR 20 Cb 0.00 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2aiz s TYR 20 CO 0.00 0.02 0.25 0.45 -1.57 0.00 0.00 175.55 174.71 2aiz s SER 21 N -3.58 6.36 0.22 2.29 0.15 -1.26 0.14 113.70 118.02 2aiz s SER 21 Ca 0.30 0.24 -0.18 0.00 0.70 0.00 0.00 55.95 57.02 2aiz s SER 21 Cb 0.07 -1.95 0.21 0.00 -1.71 0.00 0.00 66.02 62.64 2aiz s SER 21 CO 0.14 0.11 1.57 0.58 1.20 0.00 0.00 173.24 176.84 2aiz h VAL 22 N 1.87 0.07 0.00 4.45 2.07 -1.95 0.82 116.25 123.58 2aiz h VAL 22 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2aiz h VAL 22 Cb 1.18 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2aiz h VAL 22 CO 0.72 0.00 0.09 0.00 0.02 0.00 0.00 177.57 178.41 2aiz n ALA 23 N -3.36 0.91 -0.13 1.67 0.00 -1.26 -1.06 120.51 117.28 2aiz n ALA 23 Ca 0.08 0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 2aiz n ALA 23 Cb 0.39 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 2aiz n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2aiz n ASP 24 N -2.21 1.97 0.31 0.00 2.03 0.26 -3.56 116.55 115.36 2aiz n ASP 24 Ca -0.01 0.11 0.20 0.00 0.52 0.00 0.00 54.79 55.61 2aiz n ASP 24 Cb 0.13 -0.64 1.07 0.00 -0.72 0.00 0.00 41.12 40.95 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2aiz h LEU 25 N -0.48 0.00 0.00 -2.67 3.38 0.14 0.89 115.31 116.57 2aiz h LEU 25 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2aiz h LEU 25 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2aiz h LEU 25 CO -0.23 0.00 -1.16 0.00 0.09 0.00 0.00 178.44 177.14 2aiz n GLN 26 N -3.34 0.33 0.00 1.13 10.64 -0.23 -3.91 117.38 122.00 2aiz n GLN 26 Ca -0.02 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 2aiz n GLN 26 Cb 0.13 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 2aiz n GLN 26 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2aiz n GLN 27 N -1.63 1.12 0.02 2.61 6.02 -0.55 -4.94 117.38 120.04 2aiz n GLN 27 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2aiz n GLN 27 Cb 0.36 -0.95 -0.00 0.00 1.02 0.00 0.00 30.24 30.66 2aiz n GLN 27 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2aiz n ARG 28 N -1.45 0.04 -3.64 -1.09 0.00 0.30 -4.98 116.66 105.84 2aiz n ARG 28 Ca 0.00 0.02 -0.39 0.00 -0.00 0.00 0.00 57.85 57.48 2aiz n ARG 28 Cb 0.08 -0.58 -0.10 0.00 0.00 0.00 0.00 32.46 31.87 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2aiz s TYR 29 N -2.06 3.45 0.00 -0.14 2.02 -0.86 -4.72 117.35 115.04 2aiz s TYR 29 Ca -0.03 -1.95 0.00 0.00 -0.37 0.00 0.00 57.07 54.73 2aiz s TYR 29 Cb 0.01 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 2aiz s TYR 29 CO 0.04 -0.95 0.24 0.27 -1.57 0.00 0.00 175.55 173.58 2aiz n ASN 30 N 4.81 -0.00 -4.03 2.29 0.23 -1.25 -4.38 115.26 112.93 2aiz n ASN 30 Ca -0.07 -0.48 -0.24 0.00 -0.53 0.00 0.00 54.58 53.26 2aiz n ASN 30 Cb 0.41 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.95 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2aiz s THR 31 N 0.00 1.12 -0.01 5.53 2.01 -1.26 0.12 115.64 123.15 2aiz s THR 31 Ca 0.00 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2aiz s THR 31 Cb 0.00 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2aiz s THR 31 CO 0.00 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.52 2aiz s VAL 32 N 0.54 3.63 -0.21 3.82 1.01 -0.96 -4.98 120.40 123.25 2aiz s VAL 32 Ca -0.12 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2aiz s VAL 32 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2aiz s VAL 32 CO 0.03 0.44 -0.13 -0.31 0.00 0.00 0.00 175.10 175.13 2aiz s TYR 33 N -0.95 2.90 0.43 5.22 1.51 -1.26 -1.95 117.35 123.25 2aiz s TYR 33 Ca 0.16 -1.51 0.08 0.00 -1.01 0.00 0.00 57.07 54.79 2aiz s TYR 33 Cb -0.11 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2aiz s TYR 33 CO 0.06 -0.74 0.52 -0.06 -1.11 0.00 0.00 175.55 174.22 2aiz s PHE 34 N 1.33 2.66 0.00 2.71 0.08 0.15 -4.90 117.98 120.01 2aiz s PHE 34 Ca 0.03 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2aiz s PHE 34 Cb -0.14 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 2aiz s PHE 34 CO -0.09 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.07 2aiz n GLY 35 N -1.77 4.69 3.68 4.36 0.00 -1.26 -4.59 105.19 110.30 2aiz n GLY 35 Ca 0.07 -2.12 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 2aiz n GLY 35 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aiz n PHE 36 N -0.16 2.46 -2.29 1.61 7.35 -1.26 -2.16 117.46 123.02 2aiz n PHE 36 Ca 0.00 -0.07 -0.02 0.00 -0.76 0.00 0.00 57.45 56.59 2aiz n PHE 36 Cb 0.00 -2.69 -0.00 0.00 0.35 0.00 0.00 39.48 37.14 2aiz n PHE 36 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2aiz n ASP 37 N 5.85 -1.37 -4.72 -2.13 5.68 -1.26 -4.87 116.55 113.73 2aiz n ASP 37 Ca 0.19 0.39 -0.38 0.00 -0.50 0.00 0.00 54.79 54.49 2aiz n ASP 37 Cb 0.34 -1.33 -0.06 0.00 -1.14 0.00 0.00 41.12 38.93 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2aiz s LYS 38 N -4.61 4.36 -0.52 0.11 -0.14 -0.92 -4.99 119.74 113.03 2aiz s LYS 38 Ca 0.00 0.57 0.07 0.00 -1.36 0.00 0.00 55.97 55.24 2aiz s LYS 38 Cb 0.00 -3.44 0.35 0.00 -1.68 0.00 0.00 37.83 33.06 2aiz s LYS 38 CO 0.00 0.14 0.91 0.98 -0.76 0.00 0.00 175.35 176.62 2aiz n TYR 39 N 3.67 3.07 -3.72 3.18 9.36 -1.26 -4.58 117.16 126.89 2aiz n TYR 39 Ca -0.06 -3.87 -0.14 0.00 3.32 0.00 0.00 57.90 57.15 2aiz n TYR 39 Cb 0.52 -0.44 -0.08 0.00 -0.63 0.00 0.00 39.34 38.70 2aiz n TYR 39 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2aiz s ASP 40 N -3.24 -0.28 0.32 2.98 1.01 -1.26 -5.04 116.67 111.17 2aiz s ASP 40 Ca 0.46 0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.96 2aiz s ASP 40 Cb 0.31 0.35 -0.02 0.00 1.01 0.00 0.00 42.92 44.57 2aiz s ASP 40 CO -0.13 -0.48 0.49 -0.63 0.21 0.00 0.00 175.17 174.64 2aiz s ILE 41 N -1.30 4.87 -0.06 0.77 1.01 -1.26 -4.90 121.20 120.32 2aiz s ILE 41 Ca -0.13 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2aiz s ILE 41 Cb -0.04 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2aiz s ILE 41 CO 0.05 -0.40 -0.07 0.42 0.00 0.00 0.00 174.94 174.95 2aiz s THR 42 N -2.22 3.70 0.55 2.92 -4.23 -1.26 -4.99 115.64 110.11 2aiz s THR 42 Ca 0.40 -0.53 0.41 0.00 -1.18 0.00 0.00 61.69 60.79 2aiz s THR 42 Cb -0.09 -2.53 0.61 0.00 1.34 0.00 0.00 72.50 71.83 2aiz s THR 42 CO 0.33 0.56 1.73 1.23 -0.54 0.00 0.00 174.62 177.94 2aiz h GLY 43 N 5.12 0.01 1.68 3.99 0.00 -1.99 0.50 103.07 112.37 2aiz h GLY 43 Ca -0.49 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2aiz h GLY 43 CO 0.53 -0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.79 2aiz h GLU 44 N 0.00 0.40 -0.04 4.80 4.39 -2.04 -2.79 114.58 119.30 2aiz h GLU 44 Ca 0.68 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 60.28 2aiz h GLU 44 Cb 2.75 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.35 2aiz h GLU 44 CO -0.01 0.51 0.00 0.66 -1.16 0.00 0.00 179.01 179.01 2aiz n TYR 45 N -4.24 0.02 -0.18 4.33 4.01 0.17 -4.43 117.16 116.83 2aiz n TYR 45 Ca 0.00 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 2aiz n TYR 45 Cb 0.29 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 2aiz n TYR 45 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2aiz h VAL 46 N 4.41 1.27 -0.91 -0.72 2.07 -1.06 -3.13 116.25 118.17 2aiz h VAL 46 Ca 0.00 -1.20 0.26 0.00 0.82 0.00 0.00 66.70 66.58 2aiz h VAL 46 Cb 0.94 0.97 -0.14 0.00 -1.52 0.00 0.00 31.29 31.53 2aiz h VAL 46 CO 0.00 0.42 0.31 0.06 0.02 0.00 0.00 177.57 178.38 2aiz h GLN 47 N 0.85 0.22 -0.12 1.57 -0.00 -1.78 0.11 115.11 115.96 2aiz h GLN 47 Ca 0.14 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.82 2aiz h GLN 47 Cb 0.62 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.48 28.00 2aiz h GLN 47 CO 0.04 0.15 -0.18 0.82 -0.00 0.00 0.00 178.83 179.65 2aiz h ILE 48 N 0.23 0.53 -0.99 1.86 2.04 -1.86 0.64 117.51 119.95 2aiz h ILE 48 Ca 0.60 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.65 2aiz h ILE 48 Cb 1.25 0.53 -0.11 0.00 -0.74 0.00 0.00 36.82 37.75 2aiz h ILE 48 CO -0.65 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.02 2aiz h LEU 49 N -0.24 0.75 -0.20 1.44 4.07 -0.92 1.01 115.31 121.21 2aiz h LEU 49 Ca 0.09 0.10 -0.22 0.00 0.08 0.00 0.00 57.88 57.94 2aiz h LEU 49 Cb 0.37 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.09 2aiz h LEU 49 CO -0.26 0.25 -0.82 0.44 -1.08 0.00 0.00 178.44 176.97 2aiz h ASP 50 N 0.73 0.79 0.36 -0.43 5.19 -0.65 -2.17 116.42 120.24 2aiz h ASP 50 Ca 0.58 -0.54 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2aiz h ASP 50 Cb 0.92 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2aiz h ASP 50 CO -0.40 1.33 -0.17 0.00 -3.12 0.00 0.00 179.24 176.88 2aiz h ALA 51 N 0.65 -0.49 -0.96 3.45 0.00 0.24 -2.34 119.26 119.82 2aiz h ALA 51 Ca -0.06 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.91 2aiz h ALA 51 Cb 1.44 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 2aiz h ALA 51 CO 0.16 -0.47 0.61 0.45 0.00 0.00 0.00 179.25 180.00 2aiz h HIS 52 N -1.09 0.76 -0.17 0.00 3.86 0.80 -0.00 115.15 119.31 2aiz h HIS 52 Ca -0.05 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2aiz h HIS 52 Cb 0.44 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2aiz h HIS 52 CO 0.02 0.18 0.10 0.00 0.86 0.00 0.00 177.93 179.09 2aiz h ALA 53 N 1.62 0.22 -0.78 2.45 0.00 -1.39 0.42 119.26 121.80 2aiz h ALA 53 Ca 0.52 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.47 2aiz h ALA 53 Cb 1.09 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2aiz h ALA 53 CO -0.26 -0.26 0.45 0.00 0.00 0.00 0.00 179.25 179.17 2aiz h ALA 54 N 1.02 1.08 -0.22 0.00 0.00 -0.43 0.31 119.26 121.01 2aiz h ALA 54 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2aiz h ALA 54 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2aiz h ALA 54 CO -0.01 0.11 -0.45 -0.92 0.00 0.00 0.00 179.25 177.98 2aiz h TYR 55 N 0.78 0.88 -0.57 0.00 3.20 -1.08 -1.72 116.97 118.45 2aiz h TYR 55 Ca 0.36 -0.32 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2aiz h TYR 55 Cb 0.28 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2aiz h TYR 55 CO -0.06 1.10 0.26 1.25 -1.64 0.00 0.00 178.16 179.07 2aiz h LEU 56 N 0.41 0.76 -0.38 2.82 5.85 0.54 -2.67 115.31 122.63 2aiz h LEU 56 Ca 0.01 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 2aiz h LEU 56 Cb 1.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2aiz h LEU 56 CO 0.10 0.68 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.67 2aiz h ASN 57 N 0.78 0.73 -0.27 1.25 -1.24 -0.43 -2.75 115.58 113.64 2aiz h ASN 57 Ca 0.19 -0.36 0.08 0.00 0.71 0.00 0.00 56.30 56.93 2aiz h ASN 57 Cb 0.14 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 2aiz h ASN 57 CO -0.02 0.92 0.29 0.00 -1.29 0.00 0.00 177.43 177.32 2aiz h ALA 58 N 0.84 1.96 -3.41 1.57 0.00 -1.09 -3.30 119.26 115.83 2aiz h ALA 58 Ca 0.10 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.36 2aiz h ALA 58 Cb 0.59 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.00 2aiz h ALA 58 CO 0.04 -0.43 -0.70 0.99 0.00 0.00 0.00 179.25 179.15 2aiz s THR 59 N -4.67 2.01 0.60 0.00 2.01 -1.03 -4.98 115.64 109.59 2aiz s THR 59 Ca -0.05 -2.50 0.30 0.00 0.31 0.00 0.00 61.69 59.75 2aiz s THR 59 Cb 0.16 -2.45 0.36 0.00 0.01 0.00 0.00 72.50 70.58 2aiz s THR 59 CO 0.56 -0.71 2.01 -0.65 -0.69 0.00 0.00 174.62 175.14 2aiz h PRO 60 N 7.24 0.00 -0.26 4.92 0.11 -1.70 0.18 132.00 142.49 2aiz h PRO 60 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2aiz h PRO 60 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2aiz h PRO 60 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2aiz n ALA 61 N -2.26 2.48 -2.69 -0.75 0.00 -1.26 -4.87 120.51 111.16 2aiz n ALA 61 Ca 0.03 -0.69 -0.39 0.00 0.00 0.00 0.00 53.44 52.39 2aiz n ALA 61 Cb 0.44 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 2aiz n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz s ALA 62 N -1.66 3.49 -0.09 0.00 0.00 0.63 -5.06 121.76 119.07 2aiz s ALA 62 Ca 0.34 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.11 2aiz s ALA 62 Cb 0.19 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2aiz s ALA 62 CO 0.27 -0.25 -0.22 0.15 0.00 0.00 0.00 175.76 175.71 2aiz s LYS 63 N 1.19 2.77 0.06 0.00 1.02 -1.26 -4.79 119.74 118.73 2aiz s LYS 63 Ca 0.28 -0.80 -0.05 0.00 0.02 0.00 0.00 55.97 55.42 2aiz s LYS 63 Cb -0.16 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 2aiz s LYS 63 CO 0.11 0.17 0.29 0.54 -0.92 0.00 0.00 175.35 175.55 2aiz s VAL 64 N 0.34 5.28 -0.31 3.17 0.11 0.89 -4.82 120.40 125.05 2aiz s VAL 64 Ca -0.17 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2aiz s VAL 64 Cb -0.17 -3.60 0.08 0.00 -1.53 0.00 0.00 36.38 31.16 2aiz s VAL 64 CO 0.08 0.22 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.83 2aiz s LEU 65 N -2.19 4.23 -0.47 2.54 0.20 0.43 0.14 118.68 123.56 2aiz s LEU 65 Ca 0.33 -1.83 -0.27 0.00 0.69 0.00 0.00 54.13 53.05 2aiz s LEU 65 Cb -0.13 -1.60 0.03 0.00 -0.43 0.00 0.00 46.19 44.06 2aiz s LEU 65 CO 0.21 -0.30 1.01 -0.69 -0.29 0.00 0.00 176.35 176.29 2aiz s VAL 66 N 0.99 4.36 -0.23 1.68 1.01 0.22 0.12 120.40 128.56 2aiz s VAL 66 Ca 0.03 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 62.72 2aiz s VAL 66 Cb -0.19 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 2aiz s VAL 66 CO -0.07 -0.92 0.62 -1.61 0.00 0.00 0.00 175.10 173.12 2aiz s GLU 67 N 4.04 4.15 -0.17 2.72 0.41 -0.81 -1.78 118.70 127.26 2aiz s GLU 67 Ca 0.41 0.56 -0.09 0.00 -0.41 0.00 0.00 54.97 55.44 2aiz s GLU 67 Cb -0.09 -3.62 -0.05 0.00 -1.78 0.00 0.00 34.13 28.60 2aiz s GLU 67 CO 0.28 -0.33 0.13 0.20 -0.49 0.00 0.00 175.26 175.05 2aiz s GLY 68 N 1.35 2.08 -0.28 -1.39 0.00 0.61 -0.23 107.32 109.45 2aiz s GLY 68 Ca 0.27 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 2aiz s GLY 68 CO 0.09 -0.07 0.26 -1.31 0.00 0.00 0.00 173.10 172.08 2aiz s ASN 69 N -0.17 1.96 0.52 1.64 -0.87 -0.70 -2.18 114.94 115.13 2aiz s ASN 69 Ca 0.10 -0.79 0.00 0.00 -1.57 0.00 0.00 52.86 50.60 2aiz s ASN 69 Cb -0.11 0.36 0.00 0.00 -0.02 0.00 0.00 41.25 41.47 2aiz s ASN 69 CO 0.00 -0.39 0.00 0.35 -2.57 0.00 0.00 177.10 174.49 2aiz n THR 70 N 5.30 0.00 -2.03 1.60 -2.24 -1.26 -1.45 114.28 114.21 2aiz n THR 70 Ca -0.03 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 2aiz n THR 70 Cb 0.46 -1.60 0.04 0.00 -2.10 0.00 0.00 70.33 67.14 2aiz n THR 70 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2aiz s ASP 71 N -1.00 5.44 0.16 3.42 -4.77 -1.26 -4.47 116.67 114.19 2aiz s ASP 71 Ca 0.00 0.99 -0.10 0.00 -3.30 0.00 0.00 52.55 50.14 2aiz s ASP 71 Cb 0.00 -1.83 0.03 0.00 -1.09 0.00 0.00 42.92 40.04 2aiz s ASP 71 CO 0.00 -1.29 1.60 -0.08 0.70 0.00 0.00 175.17 176.09 2aiz h GLU 72 N -0.54 1.00 -5.73 2.11 4.22 -1.92 -3.40 114.58 110.31 2aiz h GLU 72 Ca -0.45 -0.36 -0.65 0.00 0.08 0.00 0.00 59.36 57.98 2aiz h GLU 72 Cb 1.26 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 2aiz h GLU 72 CO 0.63 1.03 1.48 0.54 -2.18 0.00 0.00 179.01 180.51 2aiz n ARG 73 N -4.20 0.42 0.00 1.92 5.12 -1.26 -4.55 116.66 114.11 2aiz n ARG 73 Ca 0.01 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2aiz n ARG 73 Cb 0.38 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2aiz n GLY 74 N 6.86 -0.35 3.57 -0.13 0.00 -1.26 -5.01 105.19 108.87 2aiz n GLY 74 Ca 0.52 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 2aiz n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aiz s THR 75 N 0.00 3.44 0.35 2.61 -4.23 -1.26 -4.84 115.64 111.70 2aiz s THR 75 Ca 0.00 -0.98 0.11 0.00 -1.18 0.00 0.00 61.69 59.64 2aiz s THR 75 Cb 0.00 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.65 2aiz s THR 75 CO 0.00 0.30 1.79 -0.65 -0.54 0.00 0.00 174.62 175.52 2aiz h PRO 76 N 4.26 0.59 -0.76 3.99 0.11 -1.92 -1.11 132.00 137.16 2aiz h PRO 76 Ca -0.48 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.64 2aiz h PRO 76 Cb 1.16 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 2aiz h PRO 76 CO 0.52 0.39 0.46 0.93 -0.21 0.00 0.00 178.00 180.10 2aiz h GLU 77 N 0.61 0.84 0.00 1.05 5.08 -1.97 1.94 114.58 122.12 2aiz h GLU 77 Ca 0.56 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.67 2aiz h GLU 77 Cb 1.09 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2aiz h GLU 77 CO -0.33 0.56 -1.05 -0.92 -1.00 0.00 0.00 179.01 176.27 2aiz h TYR 78 N 0.87 0.00 0.00 4.33 3.20 -1.78 -2.75 116.97 120.84 2aiz h TYR 78 Ca 0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2aiz h TYR 78 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2aiz h TYR 78 CO -0.05 0.93 -0.61 0.09 -1.64 0.00 0.00 178.16 176.88 2aiz n ASN 79 N -3.28 0.57 0.03 -2.11 3.02 -0.50 -2.01 115.26 111.00 2aiz n ASN 79 Ca -0.02 -0.20 -0.22 0.00 -0.03 0.00 0.00 54.58 54.10 2aiz n ASN 79 Cb 0.93 0.33 -0.14 0.00 -0.61 0.00 0.00 39.78 40.29 2aiz n ASN 79 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2aiz h ILE 80 N 0.00 0.82 -0.06 2.41 5.03 0.30 -2.47 117.51 123.53 2aiz h ILE 80 Ca 0.00 -2.42 -0.02 0.00 -0.12 0.00 0.00 64.86 62.30 2aiz h ILE 80 Cb 0.58 2.64 -0.00 0.00 -3.03 0.00 0.00 36.82 37.01 2aiz h ILE 80 CO 0.00 0.85 -0.03 0.00 -0.68 0.00 0.00 178.15 178.29 2aiz h ALA 81 N 0.06 0.09 -0.84 1.87 0.00 -1.58 1.00 119.26 119.85 2aiz h ALA 81 Ca -0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2aiz h ALA 81 Cb 2.01 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 2aiz h ALA 81 CO 0.12 -0.17 0.54 1.25 0.00 0.00 0.00 179.25 180.99 2aiz h LEU 82 N -0.24 0.98 -0.23 0.00 7.12 -1.56 -1.04 115.31 120.35 2aiz h LEU 82 Ca 0.01 -0.03 -0.08 0.00 0.13 0.00 0.00 57.88 57.91 2aiz h LEU 82 Cb 0.46 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2aiz h LEU 82 CO 0.01 0.72 -0.19 1.23 -0.13 0.00 0.00 178.44 180.08 2aiz h GLY 83 N 1.15 0.57 0.07 3.75 0.00 -1.24 -2.52 103.07 104.86 2aiz h GLY 83 Ca 0.31 -0.57 0.19 0.00 0.00 0.00 0.00 47.33 47.26 2aiz h GLY 83 CO -0.06 0.51 0.51 -1.61 0.00 0.00 0.00 176.54 175.89 2aiz h GLN 84 N 0.22 0.61 -0.42 4.80 5.75 0.17 1.25 115.11 127.50 2aiz h GLN 84 Ca 0.04 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2aiz h GLN 84 Cb 0.73 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 2aiz h GLN 84 CO 0.05 0.41 0.07 0.07 -2.65 0.00 0.00 178.83 176.77 2aiz h ARG 85 N 0.63 0.64 0.19 1.69 0.11 -1.04 0.78 114.38 117.39 2aiz h ARG 85 Ca 0.55 -0.13 -0.01 0.00 0.10 0.00 0.00 59.98 60.49 2aiz h ARG 85 Cb 0.89 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.87 2aiz h ARG 85 CO -0.41 0.62 -0.09 -0.09 0.10 0.00 0.00 179.97 180.09 2aiz h ARG 86 N 0.62 -0.25 -0.58 0.08 9.65 0.17 0.12 114.38 124.19 2aiz h ARG 86 Ca 0.14 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 2aiz h ARG 86 Cb 0.29 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 2aiz h ARG 86 CO 0.00 -0.00 0.38 0.00 2.80 0.00 0.00 179.97 183.15 2aiz h ALA 87 N 0.29 1.74 0.00 2.80 0.00 0.59 0.28 119.26 124.96 2aiz h ALA 87 Ca -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2aiz h ALA 87 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2aiz h ALA 87 CO 0.04 0.18 -0.28 0.22 0.00 0.00 0.00 179.25 179.41 2aiz h ASP 88 N 0.63 0.00 0.06 0.00 3.58 0.10 0.24 116.42 121.03 2aiz h ASP 88 Ca 0.24 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 2aiz h ASP 88 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2aiz h ASP 88 CO -0.07 0.28 -0.03 0.00 -2.88 0.00 0.00 179.24 176.55 2aiz h ALA 89 N 1.72 -0.08 -0.10 -0.78 0.00 0.16 0.01 119.26 120.20 2aiz h ALA 89 Ca -0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 2aiz h ALA 89 Cb 0.52 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2aiz h ALA 89 CO 0.04 -0.40 -0.84 0.28 0.00 0.00 0.00 179.25 178.33 2aiz h VAL 90 N -0.36 1.30 -0.83 0.00 2.07 -1.25 -2.07 116.25 115.12 2aiz h VAL 90 Ca -0.01 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 2aiz h VAL 90 Cb 0.32 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2aiz h VAL 90 CO 0.01 0.65 0.43 0.07 0.02 0.00 0.00 177.57 178.75 2aiz h LYS 91 N 0.44 1.17 0.00 1.57 5.09 -0.55 -1.77 116.57 122.52 2aiz h LYS 91 Ca -0.07 -0.15 -0.11 0.00 0.09 0.00 0.00 60.65 60.41 2aiz h LYS 91 Cb 1.47 -0.22 -0.02 0.00 0.10 0.00 0.00 32.23 33.56 2aiz h LYS 91 CO 0.16 0.88 -0.50 0.78 -2.09 0.00 0.00 179.45 178.68 2aiz h GLY 92 N 1.16 0.00 0.79 0.07 0.00 -0.99 -2.10 103.07 102.00 2aiz h GLY 92 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 2aiz h GLY 92 CO -0.04 0.00 -0.38 -1.82 0.00 0.00 0.00 176.54 174.30 2aiz h TYR 93 N 0.00 -0.99 -0.67 5.60 5.03 -0.60 0.69 116.97 126.04 2aiz h TYR 93 Ca -0.01 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.43 2aiz h TYR 93 Cb 0.99 0.33 -0.04 0.00 1.55 0.00 0.00 36.73 39.56 2aiz h TYR 93 CO 0.00 -0.61 0.46 -0.07 -1.32 0.00 0.00 178.16 176.61 2aiz h LEU 94 N -1.06 0.22 -0.51 2.82 3.38 -1.42 0.11 115.31 118.86 2aiz h LEU 94 Ca -0.11 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 2aiz h LEU 94 Cb 0.81 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2aiz h LEU 94 CO 0.18 0.12 -0.40 0.00 0.09 0.00 0.00 178.44 178.42 2aiz h ALA 95 N 1.68 0.69 0.00 1.53 0.00 -0.72 -2.16 119.26 120.28 2aiz h ALA 95 Ca 0.32 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2aiz h ALA 95 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2aiz h ALA 95 CO -0.07 0.67 -0.28 0.78 0.00 0.00 0.00 179.25 180.35 2aiz h GLY 96 N 0.90 0.00 2.00 0.00 0.00 0.30 -2.02 103.07 104.25 2aiz h GLY 96 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2aiz h GLY 96 CO 0.09 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.91 2aiz n LYS 97 N -4.17 0.08 0.00 4.80 5.02 -0.97 -4.85 118.16 118.07 2aiz n LYS 97 Ca -0.02 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2aiz n LYS 97 Cb 0.33 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aiz n GLY 98 N 0.59 1.13 3.72 0.72 0.00 -0.76 -5.11 105.19 105.48 2aiz n GLY 98 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2aiz n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aiz s VAL 99 N -2.00 4.76 0.86 1.61 1.01 -0.82 -5.01 120.40 120.81 2aiz s VAL 99 Ca 0.00 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.84 2aiz s VAL 99 Cb 0.00 -4.28 0.12 0.00 0.00 0.00 0.00 36.38 32.22 2aiz s VAL 99 CO 0.00 0.23 1.18 -0.62 0.00 0.00 0.00 175.10 175.89 2aiz s ASP 100 N 0.59 3.23 0.02 3.32 2.15 -1.26 -4.09 116.67 120.62 2aiz s ASP 100 Ca 0.48 2.28 0.11 0.00 0.43 0.00 0.00 52.55 55.85 2aiz s ASP 100 Cb -0.21 -2.58 -0.22 0.00 -0.30 0.00 0.00 42.92 39.61 2aiz s ASP 100 CO 0.27 -2.90 0.89 0.00 -0.17 0.00 0.00 175.17 173.26 2aiz h ALA 101 N -1.40 0.62 -0.00 3.66 0.00 -1.95 -3.32 119.26 116.86 2aiz h ALA 101 Ca -0.45 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.21 2aiz h ALA 101 Cb 1.28 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2aiz h ALA 101 CO 0.44 1.46 0.04 0.78 0.00 0.00 0.00 179.25 181.97 2aiz h GLY 102 N 3.32 0.00 -1.19 0.00 0.00 -2.01 0.12 103.07 103.32 2aiz h GLY 102 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2aiz h GLY 102 CO 0.10 0.00 -0.38 0.58 0.00 0.00 0.00 176.54 176.84 2aiz n LYS 103 N -3.13 1.45 -3.46 4.80 2.85 -1.25 -4.94 118.16 114.48 2aiz n LYS 103 Ca -0.03 -1.20 -0.32 0.00 -1.05 0.00 0.00 58.31 55.71 2aiz n LYS 103 Cb 0.11 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 32.97 2aiz n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2aiz s LEU 104 N -2.38 4.21 -0.08 -5.58 1.43 0.43 -0.08 118.68 116.63 2aiz s LEU 104 Ca 0.21 0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 54.11 2aiz s LEU 104 Cb 0.19 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.88 2aiz s LEU 104 CO 0.51 -0.02 0.21 -0.83 0.23 0.00 0.00 176.35 176.45 2aiz s GLY 105 N -2.27 -0.16 0.03 -3.19 0.00 0.12 -4.88 107.32 96.98 2aiz s GLY 105 Ca 0.45 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.78 2aiz s GLY 105 CO 0.21 0.53 -0.05 -0.51 0.00 0.00 0.00 173.10 173.28 2aiz s THR 106 N 0.14 0.29 0.25 0.90 -4.23 -1.26 0.73 115.64 112.46 2aiz s THR 106 Ca -0.00 -1.10 -0.22 0.00 -1.18 0.00 0.00 61.69 59.19 2aiz s THR 106 Cb -0.02 -0.56 0.03 0.00 1.34 0.00 0.00 72.50 73.29 2aiz s THR 106 CO 0.00 -0.53 0.76 0.68 -0.54 0.00 0.00 174.62 174.99 2aiz s VAL 107 N -1.77 0.00 -0.28 2.29 -7.23 -0.73 -4.93 120.40 107.75 2aiz s VAL 107 Ca -0.10 -0.88 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 2aiz s VAL 107 Cb -0.08 -1.93 0.10 0.00 0.56 0.00 0.00 36.38 35.03 2aiz s VAL 107 CO -0.02 0.00 0.77 -0.94 -0.31 0.00 0.00 175.10 174.61 2aiz s SER 108 N -2.91 -0.82 -0.30 4.85 1.04 -1.26 -0.28 113.70 114.02 2aiz s SER 108 Ca 0.11 1.32 0.08 0.00 0.48 0.00 0.00 55.95 57.93 2aiz s SER 108 Cb -0.05 1.34 0.49 0.00 0.10 0.00 0.00 66.02 67.90 2aiz s SER 108 CO 0.05 -0.21 1.43 -1.22 0.98 0.00 0.00 173.24 174.27 2aiz n TYR 109 N 4.14 1.20 0.00 5.02 4.01 -0.93 -4.85 117.16 125.76 2aiz n TYR 109 Ca -0.20 -1.73 0.00 0.00 -0.16 0.00 0.00 57.90 55.81 2aiz n TYR 109 Cb 0.59 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 2aiz n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aiz n GLY 110 N -1.07 0.00 1.39 2.72 0.00 -1.26 -0.69 105.19 106.28 2aiz n GLY 110 Ca 0.34 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.45 2aiz n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2aiz n GLU 111 N 0.00 3.16 0.27 1.61 4.71 -1.26 -4.39 120.64 124.74 2aiz n GLU 111 Ca 0.00 -2.52 -0.16 0.00 -0.01 0.00 0.00 57.16 54.47 2aiz n GLU 111 Cb 0.00 -1.73 -0.08 0.00 -1.01 0.00 0.00 31.44 28.62 2aiz n GLU 111 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2aiz h GLU 112 N 3.77 -0.63 -2.81 3.49 5.08 -1.29 -3.40 114.58 118.80 2aiz h GLU 112 Ca 0.00 0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.81 2aiz h GLU 112 Cb 1.19 0.14 -0.40 0.00 0.50 0.00 0.00 28.75 30.18 2aiz h GLU 112 CO 0.14 -0.38 -0.79 0.21 -1.00 0.00 0.00 179.01 177.19 2aiz s LYS 113 N -5.72 0.97 0.96 2.33 2.20 -1.21 -5.13 119.74 114.13 2aiz s LYS 113 Ca -0.16 -1.71 -0.12 0.00 -0.36 0.00 0.00 55.97 53.62 2aiz s LYS 113 Cb 0.03 -1.88 0.10 0.00 -1.51 0.00 0.00 37.83 34.58 2aiz s LYS 113 CO 0.60 -1.18 0.73 -2.30 -0.36 0.00 0.00 175.35 172.84 2aiz n PRO 114 N 3.75 -0.59 0.00 4.03 -0.02 -1.26 -5.00 135.00 135.91 2aiz n PRO 114 Ca 0.10 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2aiz n PRO 114 Cb 0.36 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2aiz n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aiz n ALA 115 N -4.02 1.19 -2.58 3.55 0.00 -1.26 -4.94 120.51 112.44 2aiz n ALA 115 Ca 0.08 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2aiz n ALA 115 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 2aiz n ALA 115 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2aiz s VAL 116 N -0.99 4.62 0.29 0.00 1.01 -1.26 -5.02 120.40 119.05 2aiz s VAL 116 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 2aiz s VAL 116 Cb 0.00 -4.36 -0.11 0.00 0.00 0.00 0.00 36.38 31.91 2aiz s VAL 116 CO 0.00 -0.80 1.58 -0.76 0.00 0.00 0.00 175.10 175.12 2aiz s LEU 117 N 3.35 4.35 0.00 3.92 2.01 -1.26 -4.80 118.68 126.25 2aiz s LEU 117 Ca 0.29 2.92 0.00 0.00 0.01 0.00 0.00 54.13 57.35 2aiz s LEU 117 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 46.19 42.44 2aiz s LEU 117 CO 0.21 -0.90 0.00 0.61 1.01 0.00 0.00 176.35 177.28 2aiz n GLY 118 N 2.19 2.03 2.22 -3.19 0.00 -1.26 -4.91 105.19 102.28 2aiz n GLY 118 Ca 0.08 -2.19 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 2aiz n GLY 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2aiz n HIS 119 N -1.05 -0.25 -4.06 1.61 1.44 -1.26 -4.68 115.22 106.98 2aiz n HIS 119 Ca 0.00 -3.60 -0.11 0.00 -2.01 0.00 0.00 57.72 52.01 2aiz n HIS 119 Cb 0.00 -0.27 -0.11 0.00 0.12 0.00 0.00 29.99 29.73 2aiz n HIS 119 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2aiz s ASP 120 N -1.84 0.65 0.47 4.39 1.11 -1.26 -4.92 116.67 115.27 2aiz s ASP 120 Ca 0.37 -0.66 0.40 0.00 0.18 0.00 0.00 52.55 52.84 2aiz s ASP 120 Cb 0.27 0.09 1.50 0.00 1.07 0.00 0.00 42.92 45.84 2aiz s ASP 120 CO -0.10 -0.33 1.41 -0.62 1.18 0.00 0.00 175.17 176.72 2aiz n GLU 121 N 1.09 -0.01 0.27 8.23 -0.58 -1.26 0.11 120.64 128.49 2aiz n GLU 121 Ca -0.20 1.04 -0.11 0.00 -0.42 0.00 0.00 57.16 57.46 2aiz n GLU 121 Cb 0.57 -2.26 -0.05 0.00 -0.57 0.00 0.00 31.44 29.12 2aiz n GLU 121 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aiz h ALA 122 N 1.10 -0.77 -0.27 0.62 0.00 -1.98 -0.62 119.26 117.33 2aiz h ALA 122 Ca 0.84 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.50 2aiz h ALA 122 Cb 3.13 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 21.19 2aiz h ALA 122 CO -0.16 -0.72 -0.18 0.00 0.00 0.00 0.00 179.25 178.19 2aiz h ALA 123 N -1.29 0.38 0.16 0.00 0.00 -0.97 -2.37 119.26 115.17 2aiz h ALA 123 Ca -0.07 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2aiz h ALA 123 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2aiz h ALA 123 CO 0.12 0.30 -0.17 1.88 0.00 0.00 0.00 179.25 181.38 2aiz h TYR 124 N 0.33 -0.44 -0.44 0.00 -1.99 0.67 -0.73 116.97 114.36 2aiz h TYR 124 Ca 0.05 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.81 2aiz h TYR 124 Cb 0.71 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 2aiz h TYR 124 CO 0.07 -0.26 0.29 1.03 -0.00 0.00 0.00 178.16 179.29 2aiz h SER 125 N -0.36 0.45 0.48 3.88 0.87 -1.15 0.54 113.55 118.25 2aiz h SER 125 Ca 0.01 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2aiz h SER 125 Cb 0.35 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2aiz h SER 125 CO -0.05 0.32 -0.31 0.50 -0.53 0.00 0.00 176.83 176.75 2aiz h LYS 126 N 0.52 0.00 0.08 2.24 1.63 -0.81 -2.99 116.57 117.25 2aiz h LYS 126 Ca 0.17 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.70 2aiz h LYS 126 Cb 0.05 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2aiz h LYS 126 CO -0.04 0.31 -1.36 -0.91 -3.45 0.00 0.00 179.45 174.00 2aiz h ASN 127 N 0.00 0.26 -0.47 4.20 2.35 0.52 -3.41 115.58 119.03 2aiz h ASN 127 Ca -0.00 -0.32 -0.33 0.00 -0.55 0.00 0.00 56.30 55.09 2aiz h ASN 127 Cb 0.63 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 2aiz h ASN 127 CO 0.04 1.27 1.07 -0.13 -1.65 0.00 0.00 177.43 178.02 2aiz s ARG 128 N -2.65 2.49 -0.02 0.81 3.00 -0.54 -4.06 118.95 117.98 2aiz s ARG 128 Ca -0.05 -1.17 -0.25 0.00 0.00 0.00 0.00 55.73 54.26 2aiz s ARG 128 Cb 0.08 -5.24 0.05 0.00 0.00 0.00 0.00 34.95 29.84 2aiz s ARG 128 CO 0.85 -4.00 0.55 -0.98 0.00 0.00 0.00 175.30 171.72 2aiz s ARG 129 N 6.47 0.95 -0.22 3.54 1.70 -0.53 0.33 118.95 131.20 2aiz s ARG 129 Ca 0.68 0.05 0.01 0.00 -0.47 0.00 0.00 55.73 56.00 2aiz s ARG 129 Cb -0.01 0.44 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 2aiz s ARG 129 CO 0.13 -0.30 -0.14 0.00 -1.08 0.00 0.00 175.30 173.91 2aiz s ALA 130 N -1.45 2.48 -0.40 7.88 0.00 -0.82 -1.73 121.76 127.72 2aiz s ALA 130 Ca -0.11 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 2aiz s ALA 130 Cb -0.02 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2aiz s ALA 130 CO 0.06 -0.71 0.58 0.08 0.00 0.00 0.00 175.76 175.77 2aiz s VAL 131 N 1.24 4.92 -0.54 0.00 1.01 0.68 -2.28 120.40 125.44 2aiz s VAL 131 Ca -0.00 0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 2aiz s VAL 131 Cb -0.16 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 2aiz s VAL 131 CO -0.09 -0.43 2.43 0.18 0.00 0.00 0.00 175.10 177.19 2aiz n LEU 132 N 6.01 2.20 -4.66 3.92 7.99 0.33 -1.93 117.00 130.86 2aiz n LEU 132 Ca -0.03 -0.60 -0.35 0.00 -0.01 0.00 0.00 56.01 55.02 2aiz n LEU 132 Cb 0.48 -1.58 -0.09 0.00 -0.11 0.00 0.00 43.42 42.12 2aiz n LEU 132 CO 0.50 -1.68 -0.22 0.00 -1.51 0.00 0.00 177.39 174.48 2aiz s ALA 133 N 12.45 3.50 -2.55 -1.18 0.00 0.33 -4.89 121.76 129.42 2aiz s ALA 133 Ca 0.99 -0.76 0.28 0.00 0.00 0.00 0.00 51.96 52.46 2aiz s ALA 133 Cb -0.20 -2.04 0.97 0.00 0.00 0.00 0.00 23.12 21.85 2aiz s ALA 133 CO 0.25 0.11 1.70 0.66 0.00 0.00 0.00 175.76 178.48