#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 3.00 0.20 0.00 0.01 -1.26 -5.11 113.70 110.54 2aiz s SER 2 Ca 0.00 -2.15 -0.12 0.00 1.31 0.00 0.00 55.95 54.99 2aiz s SER 2 Cb 0.00 -0.40 0.05 0.00 0.21 0.00 0.00 66.02 65.87 2aiz s SER 2 CO 0.00 -0.31 0.61 -1.54 0.41 0.00 0.00 173.24 172.40 2aiz n SER 3 N 4.09 -1.38 -0.06 2.44 3.41 -1.26 -5.06 113.62 115.81 2aiz n SER 3 Ca 0.11 -1.87 -0.14 0.00 -0.26 0.00 0.00 58.87 56.72 2aiz n SER 3 Cb 0.37 2.29 -0.07 0.00 -0.26 0.00 0.00 64.21 66.54 2aiz n SER 3 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2aiz h SER 4 N 1.33 0.48 -3.66 4.04 0.87 -2.11 -3.45 113.55 111.05 2aiz h SER 4 Ca -0.21 -0.52 -0.13 0.00 -1.23 0.00 0.00 61.79 59.69 2aiz h SER 4 Cb 0.82 -0.14 -0.25 0.00 -0.44 0.00 0.00 62.40 62.39 2aiz h SER 4 CO 0.27 0.91 -0.31 0.20 -0.53 0.00 0.00 176.83 177.37 2aiz s ASN 5 N -6.30 -0.41 0.07 6.23 -0.87 -1.26 -5.17 114.94 107.23 2aiz s ASN 5 Ca -0.14 0.76 0.05 0.00 -1.57 0.00 0.00 52.86 51.96 2aiz s ASN 5 Cb 0.06 0.72 -0.03 0.00 -0.02 0.00 0.00 41.25 41.98 2aiz s ASN 5 CO 0.78 -0.15 -0.14 0.21 -2.57 0.00 0.00 177.10 175.23 2aiz s ASN 6 N 0.60 1.67 -0.04 -1.22 2.47 -1.26 -5.06 114.94 112.09 2aiz s ASN 6 Ca -0.03 -0.62 -0.03 0.00 0.42 0.00 0.00 52.86 52.60 2aiz s ASN 6 Cb -0.05 -0.05 -0.01 0.00 -1.45 0.00 0.00 41.25 39.70 2aiz s ASN 6 CO -0.04 -0.08 -0.05 0.44 -3.72 0.00 0.00 177.10 173.65 2aiz h ASP 7 N 4.29 0.00 0.00 -4.21 3.32 -2.04 -3.51 116.42 114.27 2aiz h ASP 7 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2aiz h ASP 7 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2aiz h ASP 7 CO 0.40 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 178.15 2aiz n ALA 8 N -2.64 0.00 -3.47 3.45 0.00 -1.26 -5.18 120.51 111.42 2aiz n ALA 8 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2aiz n ALA 8 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 2aiz n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz s ALA 9 N -1.00 -0.39 -0.08 0.00 0.00 -1.26 -4.96 121.76 114.07 2aiz s ALA 9 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 2aiz s ALA 9 Cb 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 23.12 23.74 2aiz s ALA 9 CO 0.00 -0.92 0.75 0.78 0.00 0.00 0.00 175.76 176.36 2aiz h GLY 10 N 2.09 0.29 -1.91 0.00 0.00 -2.06 -3.44 103.07 98.04 2aiz h GLY 10 Ca -0.27 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.20 2aiz h GLY 10 CO 0.35 0.65 -0.24 1.16 0.00 0.00 0.00 176.54 178.46 2aiz n ASN 11 N -4.09 -0.84 0.03 0.19 0.23 -1.26 -4.95 115.26 104.57 2aiz n ASN 11 Ca -0.18 -1.68 0.12 0.00 -0.53 0.00 0.00 54.58 52.31 2aiz n ASN 11 Cb 0.83 0.26 0.17 0.00 -2.08 0.00 0.00 39.78 38.96 2aiz n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aiz n GLY 12 N -0.03 -1.31 0.47 4.83 0.00 -1.26 -4.12 105.19 103.76 2aiz n GLY 12 Ca -0.23 -0.32 0.28 0.00 0.00 0.00 0.00 46.02 45.75 2aiz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aiz h ALA 13 N 2.72 2.68 -1.13 4.61 0.00 -1.92 -3.47 119.26 122.75 2aiz h ALA 13 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2aiz h ALA 13 Cb 0.64 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2aiz h ALA 13 CO 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 179.25 178.07 2aiz n ALA 14 N -2.50 0.00 -2.12 0.00 0.00 -1.26 -4.84 120.51 109.79 2aiz n ALA 14 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.34 2aiz n ALA 14 Cb 1.03 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.50 2aiz n ALA 14 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aiz s GLN 15 N 0.00 3.18 -0.17 0.00 -0.21 -1.26 -5.09 119.66 116.12 2aiz s GLN 15 Ca 0.00 0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.52 2aiz s GLN 15 Cb 0.00 -2.28 0.04 0.00 1.00 0.00 0.00 33.01 31.77 2aiz s GLN 15 CO 0.00 -0.54 -0.05 0.95 -2.12 0.00 0.00 175.29 173.54 2aiz s THR 16 N -2.94 1.07 -0.53 -0.19 -4.23 -1.26 -4.37 115.64 103.19 2aiz s THR 16 Ca 0.52 -0.62 -0.23 0.00 -1.18 0.00 0.00 61.69 60.19 2aiz s THR 16 Cb -0.10 -1.26 0.05 0.00 1.34 0.00 0.00 72.50 72.52 2aiz s THR 16 CO 0.46 0.11 0.84 -0.36 -0.54 0.00 0.00 174.62 175.13 2aiz s PHE 17 N 1.65 2.88 -0.06 3.99 0.08 0.43 -4.11 117.98 122.84 2aiz s PHE 17 Ca 0.01 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.89 2aiz s PHE 17 Cb -0.15 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.41 2aiz s PHE 17 CO -0.08 -1.24 0.00 0.41 -0.10 0.00 0.00 175.22 174.22 2aiz n GLY 18 N 5.13 0.15 0.00 4.36 0.00 -1.26 -2.38 105.19 111.18 2aiz n GLY 18 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.20 1.08 3.61 -0.02 0.00 -1.26 -4.79 105.19 104.00 2aiz n GLY 19 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.52 2.63 0.09 1.61 2.02 -1.00 -4.96 117.35 117.22 2aiz s TYR 20 Ca 0.00 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 2aiz s TYR 20 Cb 0.00 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 2aiz s TYR 20 CO 0.00 0.61 0.13 0.45 -1.57 0.00 0.00 175.55 175.18 2aiz s SER 21 N -3.46 5.80 0.28 2.29 0.15 -1.26 0.16 113.70 117.66 2aiz s SER 21 Ca 0.30 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.97 2aiz s SER 21 Cb -0.07 -1.63 0.57 0.00 -1.71 0.00 0.00 66.02 63.18 2aiz s SER 21 CO 0.18 0.15 1.52 0.52 1.20 0.00 0.00 173.24 176.82 2aiz n VAL 22 N 0.24 -0.41 0.28 4.45 0.31 -1.26 0.10 118.33 122.04 2aiz n VAL 22 Ca -0.07 2.20 0.18 0.00 -0.01 0.00 0.00 64.34 66.63 2aiz n VAL 22 Cb 0.52 -3.11 0.91 0.00 -0.91 0.00 0.00 33.84 31.26 2aiz n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2aiz h ALA 23 N 1.95 1.00 0.00 3.52 0.00 -1.96 -2.07 119.26 121.71 2aiz h ALA 23 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 55.01 2aiz h ALA 23 Cb 0.91 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2aiz h ALA 23 CO -0.97 0.00 -2.46 -3.47 0.00 0.00 0.00 179.25 172.35 2aiz n ASP 24 N -2.75 1.98 0.32 0.00 2.03 0.28 -3.73 116.55 114.68 2aiz n ASP 24 Ca -0.02 0.06 0.20 0.00 0.52 0.00 0.00 54.79 55.55 2aiz n ASP 24 Cb 0.09 -0.59 1.06 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.39 0.00 0.00 -2.67 3.38 -0.81 0.75 115.31 115.57 2aiz h LEU 25 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2aiz h LEU 25 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2aiz h LEU 25 CO -0.21 0.00 -1.14 0.00 0.09 0.00 0.00 178.44 177.17 2aiz n GLN 26 N -3.23 0.66 0.00 1.13 6.02 -0.80 -4.19 117.38 116.96 2aiz n GLN 26 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2aiz n GLN 26 Cb 0.16 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2aiz n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aiz n GLN 27 N -1.63 1.94 -0.00 -1.09 10.64 -0.57 -4.95 117.38 121.71 2aiz n GLN 27 Ca 0.02 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.16 2aiz n GLN 27 Cb 0.35 -0.85 -0.01 0.00 -0.86 0.00 0.00 30.24 28.87 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2aiz n ARG 28 N -1.13 0.19 -3.40 2.61 1.74 0.25 -4.91 116.66 112.00 2aiz n ARG 28 Ca 0.00 0.08 -0.44 0.00 -0.77 0.00 0.00 57.85 56.71 2aiz n ARG 28 Cb 0.05 -0.82 -0.03 0.00 -1.02 0.00 0.00 32.46 30.64 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2aiz s TYR 29 N -2.30 3.91 0.00 -1.55 2.02 -0.93 -4.67 117.35 113.83 2aiz s TYR 29 Ca -0.10 -2.40 0.00 0.00 -0.37 0.00 0.00 57.07 54.20 2aiz s TYR 29 Cb 0.01 -3.71 0.00 0.00 -0.40 0.00 0.00 41.96 37.87 2aiz s TYR 29 CO 0.15 -0.94 0.26 -1.71 -1.57 0.00 0.00 175.55 171.75 2aiz n ASN 30 N 3.34 0.00 -3.93 2.29 4.05 -1.26 -4.62 115.26 115.13 2aiz n ASN 30 Ca 0.17 -1.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.05 2aiz n ASN 30 Cb 0.43 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.29 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2aiz s THR 31 N 0.00 0.32 0.12 -0.44 2.01 -1.26 -0.24 115.64 116.14 2aiz s THR 31 Ca 0.00 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 61.92 2aiz s THR 31 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2aiz s THR 31 CO 0.00 0.10 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.28 2aiz s VAL 32 N 0.03 3.55 -0.18 3.82 1.01 -0.96 -4.97 120.40 122.69 2aiz s VAL 32 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.74 2aiz s VAL 32 Cb -0.03 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.68 2aiz s VAL 32 CO -0.00 0.07 -0.19 -0.31 0.00 0.00 0.00 175.10 174.67 2aiz s TYR 33 N -1.34 2.77 0.51 5.22 1.51 -1.26 -1.69 117.35 123.07 2aiz s TYR 33 Ca 0.23 -1.68 0.04 0.00 -1.01 0.00 0.00 57.07 54.66 2aiz s TYR 33 Cb -0.11 -1.89 0.03 0.00 -0.11 0.00 0.00 41.96 39.87 2aiz s TYR 33 CO 0.16 -0.81 0.71 -0.06 -1.11 0.00 0.00 175.55 174.44 2aiz s PHE 34 N 1.29 2.80 0.56 2.71 0.08 0.35 -4.83 117.98 120.93 2aiz s PHE 34 Ca 0.04 -0.16 0.07 0.00 0.12 0.00 0.00 56.93 56.99 2aiz s PHE 34 Cb -0.14 -2.62 0.07 0.00 -0.57 0.00 0.00 43.02 39.76 2aiz s PHE 34 CO -0.12 -0.73 0.54 0.41 -0.10 0.00 0.00 175.22 175.22 2aiz n GLY 35 N -2.18 2.48 3.64 4.36 0.00 -1.25 -4.53 105.19 107.71 2aiz n GLY 35 Ca 0.08 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 2aiz n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aiz s PHE 36 N -2.67 1.64 -1.57 1.61 2.19 -1.26 -2.06 117.98 115.85 2aiz s PHE 36 Ca 0.41 0.10 0.00 0.00 0.33 0.00 0.00 56.93 57.77 2aiz s PHE 36 Cb -0.03 -4.05 0.00 0.00 -1.31 0.00 0.00 43.02 37.63 2aiz s PHE 36 CO 0.26 -4.27 0.00 -3.47 1.83 0.00 0.00 175.22 169.57 2aiz n ASP 37 N 8.28 -4.56 -4.42 6.13 2.03 -1.26 -4.94 116.55 117.82 2aiz n ASP 37 Ca 0.20 0.26 -0.34 0.00 0.52 0.00 0.00 54.79 55.43 2aiz n ASP 37 Cb 0.43 -3.98 -0.13 0.00 -0.72 0.00 0.00 41.12 36.72 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2aiz s LYS 38 N -4.17 3.52 -0.74 -0.67 2.36 -0.88 -5.06 119.74 114.11 2aiz s LYS 38 Ca 0.00 -0.59 0.04 0.00 -2.55 0.00 0.00 55.97 52.87 2aiz s LYS 38 Cb 0.00 -2.87 0.20 0.00 -1.05 0.00 0.00 37.83 34.11 2aiz s LYS 38 CO 0.00 0.12 0.64 0.98 1.55 0.00 0.00 175.35 178.64 2aiz n TYR 39 N 3.87 3.51 -3.67 4.03 9.36 -1.26 -3.89 117.16 129.10 2aiz n TYR 39 Ca -0.18 -4.20 -0.15 0.00 3.32 0.00 0.00 57.90 56.70 2aiz n TYR 39 Cb 0.52 -0.73 -0.08 0.00 -0.63 0.00 0.00 39.34 38.43 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 -1.48 -0.35 0.18 2.98 1.01 -1.26 -4.96 116.67 112.78 2aiz s ASP 40 Ca 0.29 0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.85 2aiz s ASP 40 Cb -0.00 0.39 -0.04 0.00 1.01 0.00 0.00 42.92 44.29 2aiz s ASP 40 CO -0.12 -0.52 0.33 -0.63 0.21 0.00 0.00 175.17 174.44 2aiz s ILE 41 N -1.37 5.28 -0.02 0.77 1.01 -1.26 -4.78 121.20 120.83 2aiz s ILE 41 Ca -0.12 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2aiz s ILE 41 Cb -0.03 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2aiz s ILE 41 CO 0.06 -0.14 -0.02 0.42 0.00 0.00 0.00 174.94 175.26 2aiz s THR 42 N -1.81 4.05 0.55 2.92 -4.23 -1.26 -4.99 115.64 110.87 2aiz s THR 42 Ca 0.36 -0.58 0.36 0.00 -1.18 0.00 0.00 61.69 60.65 2aiz s THR 42 Cb -0.11 -2.78 0.54 0.00 1.34 0.00 0.00 72.50 71.49 2aiz s THR 42 CO 0.29 0.42 1.77 1.23 -0.54 0.00 0.00 174.62 177.79 2aiz h GLY 43 N 4.53 0.00 2.00 3.99 0.00 -2.00 0.41 103.07 112.01 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 0.56 0.00 -0.28 0.83 0.00 0.00 0.00 176.54 177.65 2aiz h GLU 44 N 0.00 0.00 -0.02 4.80 4.39 -2.04 -2.86 114.58 118.85 2aiz h GLU 44 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2aiz h GLU 44 Cb 2.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.94 2aiz h GLU 44 CO -0.01 0.28 -0.09 0.66 -1.16 0.00 0.00 179.01 178.69 2aiz n TYR 45 N -4.06 0.00 -0.20 4.33 4.01 0.14 -4.54 117.16 116.84 2aiz n TYR 45 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 2aiz n TYR 45 Cb 0.34 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.39 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 3.52 1.26 -1.02 -0.72 2.07 -1.19 -2.97 116.25 117.21 2aiz h VAL 46 Ca 0.00 -0.99 0.30 0.00 0.82 0.00 0.00 66.70 66.82 2aiz h VAL 46 Cb 0.79 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2aiz h VAL 46 CO 0.00 0.36 0.76 0.06 0.02 0.00 0.00 177.57 178.78 2aiz h GLN 47 N 0.86 0.00 0.22 1.57 -0.00 -1.80 0.13 115.11 116.09 2aiz h GLN 47 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 2aiz h GLN 47 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 2aiz h GLN 47 CO 0.01 0.00 -0.11 0.82 -0.00 0.00 0.00 178.83 179.56 2aiz h ILE 48 N 0.00 0.85 -0.54 1.86 2.04 -1.85 0.78 117.51 120.65 2aiz h ILE 48 Ca 0.49 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.98 2aiz h ILE 48 Cb 2.01 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 39.12 2aiz h ILE 48 CO -0.01 0.10 0.05 -0.07 0.00 0.00 0.00 178.15 178.23 2aiz h LEU 49 N -0.53 -0.12 -0.64 1.44 4.07 -1.10 0.88 115.31 119.31 2aiz h LEU 49 Ca -0.03 0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.90 2aiz h LEU 49 Cb 0.40 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2aiz h LEU 49 CO 0.05 -0.03 -0.45 -2.24 -1.08 0.00 0.00 178.44 174.68 2aiz h ASP 50 N 0.18 0.58 -0.04 -0.43 3.04 -1.44 -1.22 116.42 117.09 2aiz h ASP 50 Ca 0.27 -0.27 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 2aiz h ASP 50 Cb 0.41 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 2aiz h ASP 50 CO -0.40 0.95 -0.17 0.00 -2.04 0.00 0.00 179.24 177.57 2aiz h ALA 51 N 1.07 0.07 -0.76 4.15 0.00 0.21 -2.45 119.26 121.55 2aiz h ALA 51 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2aiz h ALA 51 Cb 0.96 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2aiz h ALA 51 CO 0.09 0.03 0.44 0.45 0.00 0.00 0.00 179.25 180.25 2aiz h HIS 52 N -0.40 1.01 -0.39 0.00 3.86 0.70 -2.21 115.15 117.72 2aiz h HIS 52 Ca -0.01 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2aiz h HIS 52 Cb 0.84 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2aiz h HIS 52 CO 0.15 0.69 0.22 0.00 0.86 0.00 0.00 177.93 179.84 2aiz h ALA 53 N 1.43 0.50 -0.87 2.45 0.00 -1.22 0.31 119.26 121.85 2aiz h ALA 53 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2aiz h ALA 53 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2aiz h ALA 53 CO -0.05 0.01 0.56 0.00 0.00 0.00 0.00 179.25 179.77 2aiz h ALA 54 N 1.08 1.11 -0.30 0.00 0.00 -0.97 0.09 119.26 120.28 2aiz h ALA 54 Ca 0.14 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2aiz h ALA 54 Cb 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2aiz h ALA 54 CO -0.02 0.53 -0.50 -0.92 0.00 0.00 0.00 179.25 178.33 2aiz h TYR 55 N 1.19 1.09 -0.40 0.00 3.20 -1.05 -2.32 116.97 118.69 2aiz h TYR 55 Ca 0.32 -0.38 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 2aiz h TYR 55 Cb -0.11 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 2aiz h TYR 55 CO -0.01 1.20 0.17 1.25 -1.64 0.00 0.00 178.16 179.14 2aiz h LEU 56 N 0.66 0.54 -0.74 2.82 5.85 0.01 -2.81 115.31 121.65 2aiz h LEU 56 Ca 0.02 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2aiz h LEU 56 Cb 1.11 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2aiz h LEU 56 CO 0.11 0.54 0.25 -1.13 -0.34 0.00 0.00 178.44 177.88 2aiz h ASN 57 N 0.50 1.05 -0.41 1.25 -1.24 -1.00 -2.29 115.58 113.43 2aiz h ASN 57 Ca 0.13 -0.20 0.12 0.00 0.71 0.00 0.00 56.30 57.07 2aiz h ASN 57 Cb 0.16 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 2aiz h ASN 57 CO -0.01 0.96 0.47 0.00 -1.29 0.00 0.00 177.43 177.57 2aiz h ALA 58 N 1.13 2.11 -3.25 1.57 0.00 -1.14 -3.36 119.26 116.31 2aiz h ALA 58 Ca 0.24 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.46 2aiz h ALA 58 Cb 0.27 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 17.77 2aiz h ALA 58 CO -0.01 -0.69 -0.76 0.95 0.00 0.00 0.00 179.25 178.75 2aiz s THR 59 N -4.57 2.82 0.13 0.00 -4.23 -0.86 -5.02 115.64 103.90 2aiz s THR 59 Ca -0.04 -1.00 -0.21 0.00 -1.18 0.00 0.00 61.69 59.26 2aiz s THR 59 Cb 0.15 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 2aiz s THR 59 CO 0.53 0.23 1.69 -0.65 -0.54 0.00 0.00 174.62 175.87 2aiz h PRO 60 N 8.01 -0.09 -0.80 3.99 0.11 -1.79 -2.22 132.00 139.20 2aiz h PRO 60 Ca -0.34 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2aiz h PRO 60 Cb 1.11 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2aiz h PRO 60 CO 0.58 -0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 2aiz n ALA 61 N -2.47 3.09 -2.60 -0.75 0.00 -1.26 -4.87 120.51 111.65 2aiz n ALA 61 Ca -0.03 -0.83 -0.38 0.00 0.00 0.00 0.00 53.44 52.20 2aiz n ALA 61 Cb 0.17 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.77 3.58 0.00 0.00 0.00 -0.84 -5.08 121.76 117.66 2aiz s ALA 62 Ca 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.00 2aiz s ALA 62 Cb 0.18 -2.52 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2aiz s ALA 62 CO 0.07 0.23 -0.03 0.15 0.00 0.00 0.00 175.76 176.18 2aiz s LYS 63 N -0.20 0.24 0.07 0.00 3.01 -1.25 -4.83 119.74 116.78 2aiz s LYS 63 Ca 0.24 -0.18 0.00 0.00 -1.01 0.00 0.00 55.97 55.03 2aiz s LYS 63 Cb -0.16 -0.18 -0.04 0.00 -1.01 0.00 0.00 37.83 36.44 2aiz s LYS 63 CO 0.12 0.05 0.20 0.54 0.51 0.00 0.00 175.35 176.77 2aiz s VAL 64 N -0.26 5.32 -0.33 3.17 0.11 -0.69 -4.82 120.40 122.90 2aiz s VAL 64 Ca -0.01 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 2aiz s VAL 64 Cb -0.02 -3.60 0.09 0.00 -1.53 0.00 0.00 36.38 31.32 2aiz s VAL 64 CO -0.00 0.13 0.03 -0.22 -3.33 0.00 0.00 175.10 171.71 2aiz s LEU 65 N -2.54 4.44 -0.67 2.54 0.20 0.37 -1.05 118.68 121.97 2aiz s LEU 65 Ca 0.35 -2.02 -0.25 0.00 0.69 0.00 0.00 54.13 52.89 2aiz s LEU 65 Cb -0.13 -1.57 0.04 0.00 -0.43 0.00 0.00 46.19 44.10 2aiz s LEU 65 CO 0.28 -0.36 1.12 -0.69 -0.29 0.00 0.00 176.35 176.41 2aiz s VAL 66 N 0.97 4.04 -0.20 1.68 1.01 -0.87 0.12 120.40 127.15 2aiz s VAL 66 Ca 0.08 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 2aiz s VAL 66 Cb -0.19 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 2aiz s VAL 66 CO -0.08 -1.58 0.58 -0.70 0.00 0.00 0.00 175.10 173.31 2aiz s GLU 67 N 4.87 4.19 0.05 2.72 2.12 -0.86 0.30 118.70 132.09 2aiz s GLU 67 Ca 0.31 0.51 0.03 0.00 0.36 0.00 0.00 54.97 56.18 2aiz s GLU 67 Cb -0.11 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2aiz s GLU 67 CO 0.15 -0.21 0.04 0.20 -0.54 0.00 0.00 175.26 174.90 2aiz s GLY 68 N 1.21 1.96 -0.30 -1.50 0.00 0.29 0.13 107.32 109.12 2aiz s GLY 68 Ca 0.26 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2aiz s GLY 68 CO 0.10 -0.94 0.63 0.54 0.00 0.00 0.00 173.10 173.42 2aiz s ASN 69 N -2.07 -1.42 0.05 1.64 2.20 -0.57 -1.99 114.94 112.77 2aiz s ASN 69 Ca 0.25 0.59 0.01 0.00 -0.94 0.00 0.00 52.86 52.77 2aiz s ASN 69 Cb -0.12 2.07 0.01 0.00 -2.00 0.00 0.00 41.25 41.21 2aiz s ASN 69 CO 0.17 -0.26 0.05 0.35 -2.94 0.00 0.00 177.10 174.47 2aiz n THR 70 N 5.42 0.00 -1.72 0.54 -2.24 -1.26 -1.39 114.28 113.64 2aiz n THR 70 Ca 0.01 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 2aiz n THR 70 Cb 0.52 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 2aiz n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2aiz n ASP 71 N -2.34 3.22 0.31 3.42 5.75 -1.26 -4.72 116.55 120.93 2aiz n ASP 71 Ca 0.00 1.19 0.19 0.00 -0.01 0.00 0.00 54.79 56.16 2aiz n ASP 71 Cb 0.05 -1.53 1.06 0.00 -1.03 0.00 0.00 41.12 39.67 2aiz n ASP 71 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2aiz h GLU 72 N 3.37 0.00 -5.28 0.11 9.09 -1.96 -3.44 114.58 116.47 2aiz h GLU 72 Ca -0.47 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.28 2aiz h GLU 72 Cb 1.26 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.32 2aiz h GLU 72 CO 0.68 0.00 1.27 -2.13 0.05 0.00 0.00 179.01 178.88 2aiz n ARG 73 N -3.49 0.00 0.00 1.06 3.00 -1.26 -4.32 116.66 111.65 2aiz n ARG 73 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2aiz n ARG 73 Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.19 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2aiz n GLY 74 N 6.64 0.26 3.20 5.14 0.00 -1.26 -4.85 105.19 114.32 2aiz n GLY 74 Ca 0.52 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 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 1.35 0.33 2.61 -4.23 -1.26 -4.99 115.64 109.45 2aiz s THR 75 Ca 0.00 -1.18 0.07 0.00 -1.18 0.00 0.00 61.69 59.40 2aiz s THR 75 Cb 0.00 -1.22 0.40 0.00 1.34 0.00 0.00 72.50 73.03 2aiz s THR 75 CO 0.00 0.01 1.57 -0.81 -0.54 0.00 0.00 174.62 174.85 2aiz n PRO 76 N 1.67 -0.07 -0.24 3.99 -0.04 -1.26 0.10 135.00 139.15 2aiz n PRO 76 Ca -0.18 1.47 -0.06 0.00 -0.04 0.00 0.00 63.50 64.68 2aiz n PRO 76 Cb 0.54 -2.41 0.04 0.00 -0.04 0.00 0.00 33.50 31.64 2aiz n PRO 76 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2aiz h GLU 77 N 0.00 0.92 -0.28 0.54 3.07 -1.98 1.08 114.58 117.94 2aiz h GLU 77 Ca 0.67 -0.11 -0.19 0.00 -0.50 0.00 0.00 59.36 59.24 2aiz h GLU 77 Cb 1.52 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 2aiz h GLU 77 CO -0.89 0.70 -0.55 -0.92 -1.40 0.00 0.00 179.01 175.94 2aiz h TYR 78 N 0.90 1.09 0.00 4.33 5.03 0.30 -2.73 116.97 125.89 2aiz h TYR 78 Ca 0.23 -0.40 0.00 0.00 2.58 0.00 0.00 58.73 61.15 2aiz h TYR 78 Cb 0.05 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.13 2aiz h TYR 78 CO -0.01 1.22 0.00 0.09 -1.32 0.00 0.00 178.16 178.15 2aiz n ASN 79 N -4.02 0.00 -0.15 -2.11 3.02 0.24 -2.17 115.26 110.07 2aiz n ASN 79 Ca -0.05 0.57 0.14 0.00 -0.03 0.00 0.00 54.58 55.20 2aiz n ASN 79 Cb 0.63 -0.24 0.25 0.00 -0.61 0.00 0.00 39.78 39.81 2aiz n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aiz n ILE 80 N -1.23 -0.20 0.40 2.41 3.06 0.37 0.15 119.36 124.32 2aiz n ILE 80 Ca 0.00 0.97 -0.16 0.00 -2.50 0.00 0.00 62.75 61.06 2aiz n ILE 80 Cb 0.00 -1.54 -0.08 0.00 0.54 0.00 0.00 39.64 38.56 2aiz n ILE 80 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2aiz h ALA 81 N 0.94 -1.04 -0.71 1.51 0.00 -1.47 0.97 119.26 119.46 2aiz h ALA 81 Ca 0.38 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2aiz h ALA 81 Cb 0.97 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 2aiz h ALA 81 CO -0.38 -0.97 0.10 1.25 0.00 0.00 0.00 179.25 179.25 2aiz h LEU 82 N -1.26 -0.13 -0.26 0.00 7.12 0.19 0.07 115.31 121.05 2aiz h LEU 82 Ca -0.11 0.16 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 2aiz h LEU 82 Cb 0.80 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.16 2aiz h LEU 82 CO 0.17 -0.09 0.02 1.23 -0.13 0.00 0.00 178.44 179.64 2aiz h GLY 83 N 0.20 0.47 -0.29 3.75 0.00 -1.00 -2.61 103.07 103.59 2aiz h GLY 83 Ca 0.39 -0.34 0.23 0.00 0.00 0.00 0.00 47.33 47.62 2aiz h GLY 83 CO -0.55 0.31 0.35 -1.61 0.00 0.00 0.00 176.54 175.05 2aiz h GLN 84 N 0.23 0.32 -0.39 4.80 -0.00 0.29 1.14 115.11 121.50 2aiz h GLN 84 Ca 0.07 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.63 2aiz h GLN 84 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.77 2aiz h GLN 84 CO 0.01 0.21 -0.07 0.07 0.00 0.00 0.00 178.83 179.06 2aiz h ARG 85 N 0.33 0.67 -0.07 1.69 0.11 -0.98 0.92 114.38 117.06 2aiz h ARG 85 Ca 0.56 -0.19 -0.02 0.00 0.10 0.00 0.00 59.98 60.43 2aiz h ARG 85 Cb 1.10 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 2aiz h ARG 85 CO -0.57 0.73 -0.03 0.00 0.10 0.00 0.00 179.97 180.20 2aiz h ARG 86 N 0.62 0.14 -0.83 0.08 3.08 0.13 -2.07 114.38 115.52 2aiz h ARG 86 Ca 0.12 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2aiz h ARG 86 Cb 0.49 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2aiz h ARG 86 CO 0.03 0.52 0.40 0.00 -1.07 0.00 0.00 179.97 179.85 2aiz h ALA 87 N 0.61 1.07 -0.71 0.04 0.00 0.94 -1.46 119.26 119.76 2aiz h ALA 87 Ca 0.01 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.86 2aiz h ALA 87 Cb 0.48 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2aiz h ALA 87 CO 0.01 0.64 0.47 -0.44 0.00 0.00 0.00 179.25 179.93 2aiz h ASP 88 N 1.18 0.53 0.43 0.00 3.32 0.99 0.60 116.42 123.47 2aiz h ASP 88 Ca 0.29 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2aiz h ASP 88 Cb 0.12 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2aiz h ASP 88 CO -0.04 0.31 -0.21 0.00 -1.72 0.00 0.00 179.24 177.59 2aiz h ALA 89 N 1.64 -0.94 -0.99 3.45 0.00 -0.54 -0.00 119.26 121.88 2aiz h ALA 89 Ca 0.33 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2aiz h ALA 89 Cb 0.50 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2aiz h ALA 89 CO -0.11 -0.90 0.63 0.28 0.00 0.00 0.00 179.25 179.15 2aiz h VAL 90 N -0.69 0.95 -0.63 0.00 2.07 -1.10 -0.14 116.25 116.71 2aiz h VAL 90 Ca -0.06 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2aiz h VAL 90 Cb 0.44 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2aiz h VAL 90 CO 0.10 0.18 0.35 0.07 0.02 0.00 0.00 177.57 178.29 2aiz h LYS 91 N 1.00 0.88 0.00 1.57 5.09 0.23 0.22 116.57 125.56 2aiz h LYS 91 Ca 0.48 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 61.12 2aiz h LYS 91 Cb 0.44 -0.17 0.00 0.00 0.10 0.00 0.00 32.23 32.60 2aiz h LYS 91 CO -0.24 0.66 0.00 0.41 -2.09 0.00 0.00 179.45 178.19 2aiz n GLY 92 N -1.07 -1.15 0.11 0.07 0.00 -0.02 -2.13 105.19 101.00 2aiz n GLY 92 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2aiz n GLY 92 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2aiz h TYR 93 N 0.00 -0.18 -0.70 1.61 5.03 0.76 -2.01 116.97 121.48 2aiz h TYR 93 Ca 0.00 -0.00 0.18 0.00 2.58 0.00 0.00 58.73 61.49 2aiz h TYR 93 Cb 0.33 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 2aiz h TYR 93 CO 0.00 -0.11 0.49 -0.07 -1.32 0.00 0.00 178.16 177.15 2aiz h LEU 94 N -0.76 0.12 -0.77 2.82 3.38 -1.41 0.48 115.31 119.16 2aiz h LEU 94 Ca -0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2aiz h LEU 94 Cb 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2aiz h LEU 94 CO 0.03 0.06 0.30 0.00 0.09 0.00 0.00 178.44 178.92 2aiz h ALA 95 N 1.66 1.01 0.00 1.53 0.00 -1.45 -0.28 119.26 121.73 2aiz h ALA 95 Ca 0.34 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2aiz h ALA 95 Cb 1.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2aiz h ALA 95 CO -0.04 0.65 -0.22 0.78 0.00 0.00 0.00 179.25 180.41 2aiz h GLY 96 N 1.13 0.00 1.88 0.00 0.00 0.72 -2.32 103.07 104.49 2aiz h GLY 96 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2aiz h GLY 96 CO -0.02 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.79 2aiz n LYS 97 N -3.51 0.08 0.00 4.80 4.76 -0.87 -4.88 118.16 118.55 2aiz n LYS 97 Ca -0.01 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2aiz n LYS 97 Cb 0.38 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aiz n GLY 98 N 1.46 1.26 3.63 0.72 0.00 -0.87 -5.08 105.19 106.31 2aiz n GLY 98 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 3.76 0.39 1.61 1.01 -0.17 -4.95 120.40 120.04 2aiz s VAL 99 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 2aiz s VAL 99 Cb 0.00 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 2aiz s VAL 99 CO 0.00 -0.32 1.25 0.47 0.00 0.00 0.00 175.10 176.50 2aiz n ASP 100 N 8.34 2.49 -0.33 3.32 9.92 -1.26 -3.80 116.55 135.23 2aiz n ASP 100 Ca 0.18 1.14 0.14 0.00 -0.53 0.00 0.00 54.79 55.72 2aiz n ASP 100 Cb 0.45 -1.48 0.33 0.00 -0.64 0.00 0.00 41.12 39.79 2aiz n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aiz h ALA 101 N 2.21 1.62 0.00 2.24 0.00 -1.93 1.08 119.26 124.48 2aiz h ALA 101 Ca -0.47 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2aiz h ALA 101 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2aiz h ALA 101 CO 0.61 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.07 2aiz n GLY 102 N -1.32 -1.08 0.07 0.00 0.00 -1.26 -2.23 105.19 99.37 2aiz n GLY 102 Ca 0.24 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.38 2aiz n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aiz n LYS 103 N -1.80 0.57 -4.06 1.61 5.02 0.37 -4.90 118.16 114.98 2aiz n LYS 103 Ca 0.03 0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.15 2aiz n LYS 103 Cb 0.18 -1.70 -0.16 0.00 -0.02 0.00 0.00 35.03 33.33 2aiz n LYS 103 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2aiz s LEU 104 N -4.88 1.41 0.00 -0.35 -0.00 -0.95 -1.71 118.68 112.20 2aiz s LEU 104 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 54.13 54.03 2aiz s LEU 104 Cb 0.12 -0.31 0.00 0.00 -0.00 0.00 0.00 46.19 46.00 2aiz s LEU 104 CO 0.83 -0.05 0.00 0.61 -0.00 0.00 0.00 176.35 177.74 2aiz n GLY 105 N 3.84 4.41 3.41 -3.48 0.00 -0.21 -4.77 105.19 108.39 2aiz n GLY 105 Ca -0.24 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 2aiz n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aiz s THR 106 N -1.18 0.02 0.19 2.61 -4.23 -1.26 -2.04 115.64 109.75 2aiz s THR 106 Ca 0.00 -1.56 -0.20 0.00 -1.18 0.00 0.00 61.69 58.74 2aiz s THR 106 Cb 0.00 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.71 2aiz s THR 106 CO 0.00 -0.09 0.59 -0.69 -0.54 0.00 0.00 174.62 173.89 2aiz s VAL 107 N -4.04 0.01 -0.30 2.29 1.01 0.15 -4.82 120.40 114.70 2aiz s VAL 107 Ca 0.25 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2aiz s VAL 107 Cb 0.03 -1.40 0.17 0.00 0.00 0.00 0.00 36.38 35.18 2aiz s VAL 107 CO 0.07 -0.05 0.63 -0.55 0.00 0.00 0.00 175.10 175.19 2aiz s SER 108 N -2.83 -1.29 -0.31 3.32 0.15 -1.26 0.11 113.70 111.60 2aiz s SER 108 Ca 0.06 1.12 0.09 0.00 0.70 0.00 0.00 55.95 57.92 2aiz s SER 108 Cb -0.02 2.20 0.58 0.00 -1.71 0.00 0.00 66.02 67.07 2aiz s SER 108 CO -0.06 -0.24 1.59 -1.22 1.20 0.00 0.00 173.24 174.52 2aiz n TYR 109 N 5.43 1.64 0.00 3.44 4.01 -0.84 -4.75 117.16 126.09 2aiz n TYR 109 Ca -0.05 -1.47 0.00 0.00 -0.16 0.00 0.00 57.90 56.22 2aiz n TYR 109 Cb 0.50 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.90 0.00 0.27 2.72 0.00 -1.26 -0.34 105.19 105.68 2aiz n GLY 110 Ca 0.38 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.58 2aiz n GLY 110 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2aiz h GLU 111 N 0.00 0.00 -0.02 1.61 5.08 -1.84 -3.29 114.58 116.12 2aiz h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aiz h GLU 111 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2aiz h GLU 111 CO 0.00 0.00 -0.05 1.49 -1.00 0.00 0.00 179.01 179.45 2aiz h GLU 112 N 0.00 -0.05 -3.35 2.33 4.22 -1.07 -3.38 114.58 113.28 2aiz h GLU 112 Ca 0.00 0.00 -0.60 0.00 0.08 0.00 0.00 59.36 58.84 2aiz h GLU 112 Cb 0.15 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.01 2aiz h GLU 112 CO 0.00 -0.03 -0.75 0.21 -2.18 0.00 0.00 179.01 176.26 2aiz s LYS 113 N -3.26 1.03 0.78 1.92 2.47 -0.92 -5.13 119.74 116.63 2aiz s LYS 113 Ca -0.01 -1.57 -0.13 0.00 -1.56 0.00 0.00 55.97 52.69 2aiz s LYS 113 Cb 0.01 -2.22 0.07 0.00 -1.46 0.00 0.00 37.83 34.23 2aiz s LYS 113 CO 0.06 -1.07 1.19 -2.14 0.16 0.00 0.00 175.35 173.54 2aiz s PRO 114 N 0.97 1.86 0.00 4.03 0.02 -1.26 -4.91 135.00 135.70 2aiz s PRO 114 Ca 0.14 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.83 2aiz s PRO 114 Cb -0.21 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2aiz s PRO 114 CO -0.11 -2.03 0.00 0.00 -0.33 0.00 0.00 177.00 174.53 2aiz n ALA 115 N -3.15 0.28 -2.58 -1.55 0.00 -1.26 -4.94 120.51 107.32 2aiz n ALA 115 Ca 0.13 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2aiz n ALA 115 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.85 4.79 0.24 0.00 1.01 -1.26 -5.03 120.40 119.29 2aiz s VAL 116 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 2aiz s VAL 116 Cb 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2aiz s VAL 116 CO 0.00 -0.40 1.25 -0.76 0.00 0.00 0.00 175.10 175.19 2aiz s LEU 117 N 2.96 4.45 0.00 3.92 2.01 -1.26 -4.81 118.68 125.94 2aiz s LEU 117 Ca 0.29 2.40 0.00 0.00 0.01 0.00 0.00 54.13 56.83 2aiz s LEU 117 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.44 2aiz s LEU 117 CO 0.16 -0.43 0.00 0.61 1.01 0.00 0.00 176.35 177.70 2aiz n GLY 118 N 1.81 1.86 2.52 -3.19 0.00 -1.26 -4.89 105.19 102.04 2aiz n GLY 118 Ca 0.03 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 2aiz n GLY 118 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2aiz n HIS 119 N -1.54 0.84 -4.20 1.61 -0.00 -1.26 -4.74 115.22 105.92 2aiz n HIS 119 Ca 0.00 -3.08 -0.16 0.00 0.46 0.00 0.00 57.72 54.93 2aiz n HIS 119 Cb 0.00 -0.38 -0.11 0.00 -0.12 0.00 0.00 29.99 29.38 2aiz n HIS 119 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 2aiz s ASP 120 N -2.90 1.70 0.59 0.26 1.47 -1.26 -4.96 116.67 111.57 2aiz s ASP 120 Ca 0.31 -0.80 0.31 0.00 1.18 0.00 0.00 52.55 53.55 2aiz s ASP 120 Cb 0.43 -0.03 1.28 0.00 -0.34 0.00 0.00 42.92 44.26 2aiz s ASP 120 CO 0.00 -0.20 1.60 -0.33 0.68 0.00 0.00 175.17 176.93 2aiz h GLU 121 N 3.59 0.00 0.41 2.11 4.39 -1.98 0.65 114.58 123.75 2aiz h GLU 121 Ca -0.39 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 2aiz h GLU 121 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2aiz h GLU 121 CO 0.51 0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 178.17 2aiz h ALA 122 N 1.01 -0.55 -0.39 3.43 0.00 -1.98 -1.28 119.26 119.50 2aiz h ALA 122 Ca 0.44 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2aiz h ALA 122 Cb 2.31 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 2aiz h ALA 122 CO -0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 179.25 178.34 2aiz h ALA 123 N -0.88 0.56 -0.03 0.00 0.00 -1.34 -2.29 119.26 115.30 2aiz h ALA 123 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2aiz h ALA 123 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2aiz h ALA 123 CO 0.09 0.65 0.00 1.88 0.00 0.00 0.00 179.25 181.87 2aiz h TYR 124 N 0.74 0.01 -0.36 0.00 -1.99 0.11 -0.18 116.97 115.30 2aiz h TYR 124 Ca 0.07 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.74 2aiz h TYR 124 Cb 0.94 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 2aiz h TYR 124 CO 0.06 0.00 -0.01 1.03 -0.00 0.00 0.00 178.16 179.25 2aiz h SER 125 N 0.02 0.54 0.56 3.88 0.87 -1.25 -1.43 113.55 116.74 2aiz h SER 125 Ca 0.01 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 2aiz h SER 125 Cb 0.01 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2aiz h SER 125 CO -0.02 0.61 -0.31 0.11 -0.53 0.00 0.00 176.83 176.70 2aiz h LYS 126 N 0.54 0.00 0.04 2.24 6.56 -0.95 -2.92 116.57 122.08 2aiz h LYS 126 Ca 0.11 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.46 2aiz h LYS 126 Cb 0.36 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 2aiz h LYS 126 CO 0.01 0.31 -1.23 -0.91 -2.06 0.00 0.00 179.45 175.57 2aiz h ASN 127 N 0.00 0.14 -0.55 0.86 2.35 -0.16 -3.42 115.58 114.79 2aiz h ASN 127 Ca -0.00 -0.17 -0.28 0.00 -0.55 0.00 0.00 56.30 55.29 2aiz h ASN 127 Cb 0.68 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 2aiz h ASN 127 CO 0.04 1.14 0.82 -0.13 -1.65 0.00 0.00 177.43 177.65 2aiz s ARG 128 N -2.67 2.41 -0.08 0.81 3.00 -0.62 -4.11 118.95 117.69 2aiz s ARG 128 Ca -0.02 -0.66 -0.21 0.00 0.00 0.00 0.00 55.73 54.83 2aiz s ARG 128 Cb 0.09 -5.13 0.05 0.00 0.00 0.00 0.00 34.95 29.96 2aiz s ARG 128 CO 0.84 -3.82 0.50 -0.98 0.00 0.00 0.00 175.30 171.84 2aiz s ARG 129 N 6.92 0.79 -0.32 3.54 1.70 -0.48 0.13 118.95 131.23 2aiz s ARG 129 Ca 0.71 0.23 -0.03 0.00 -0.47 0.00 0.00 55.73 56.17 2aiz s ARG 129 Cb -0.04 0.37 0.06 0.00 -0.57 0.00 0.00 34.95 34.76 2aiz s ARG 129 CO 0.07 -0.20 0.05 0.00 -1.08 0.00 0.00 175.30 174.14 2aiz s ALA 130 N -0.82 2.92 -0.48 7.88 0.00 -0.68 -1.52 121.76 129.05 2aiz s ALA 130 Ca -0.09 -1.87 -0.23 0.00 0.00 0.00 0.00 51.96 49.77 2aiz s ALA 130 Cb -0.03 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 21.04 2aiz s ALA 130 CO 0.05 -1.36 0.82 0.08 0.00 0.00 0.00 175.76 175.35 2aiz s VAL 131 N 1.27 4.59 -0.47 0.00 1.01 0.35 -2.27 120.40 124.88 2aiz s VAL 131 Ca -0.02 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 2aiz s VAL 131 Cb -0.20 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 2aiz s VAL 131 CO -0.01 -0.84 2.24 -0.76 0.00 0.00 0.00 175.10 175.73 2aiz s LEU 132 N 3.43 3.39 -0.14 3.92 2.01 0.66 -2.04 118.68 129.92 2aiz s LEU 132 Ca 0.29 1.05 -0.06 0.00 0.01 0.00 0.00 54.13 55.42 2aiz s LEU 132 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 46.19 43.33 2aiz s LEU 132 CO 0.21 -2.60 0.08 0.00 1.01 0.00 0.00 176.35 175.05 2aiz s ALA 133 N 10.79 3.55 -2.50 4.21 0.00 0.33 -4.88 121.76 133.26 2aiz s ALA 133 Ca 0.91 -0.72 0.28 0.00 0.00 0.00 0.00 51.96 52.43 2aiz s ALA 133 Cb -0.19 -1.86 1.05 0.00 0.00 0.00 0.00 23.12 22.12 2aiz s ALA 133 CO 0.27 0.40 1.74 0.66 0.00 0.00 0.00 175.76 178.83