#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiz n SER 2 N 0.00 -9.00 -4.89 0.00 7.64 -1.26 -4.99 113.62 101.13 2aiz n SER 2 Ca 0.00 1.58 -0.34 0.00 1.01 0.00 0.00 58.87 61.12 2aiz n SER 2 Cb 0.00 -4.97 -0.05 0.00 -1.01 0.00 0.00 64.21 58.18 2aiz n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2aiz s SER 3 N -0.54 6.50 -0.14 6.43 0.01 -1.26 -5.02 113.70 119.69 2aiz s SER 3 Ca 0.00 0.57 -0.17 0.00 1.31 0.00 0.00 55.95 57.66 2aiz s SER 3 Cb 0.00 -2.09 -0.25 0.00 0.21 0.00 0.00 66.02 63.89 2aiz s SER 3 CO 0.00 0.22 0.46 0.77 0.41 0.00 0.00 173.24 175.10 2aiz h SER 4 N 3.79 0.25 -3.48 2.44 4.64 -2.02 -3.45 113.55 115.73 2aiz h SER 4 Ca -0.49 -0.78 -0.67 0.00 -0.47 0.00 0.00 61.79 59.37 2aiz h SER 4 Cb 1.19 -0.08 -0.36 0.00 -0.31 0.00 0.00 62.40 62.84 2aiz h SER 4 CO 0.67 1.56 -0.83 0.54 -0.87 0.00 0.00 176.83 177.91 2aiz s ASN 5 N -6.92 3.82 -0.62 4.97 4.22 -1.26 -5.08 114.94 114.07 2aiz s ASN 5 Ca -0.22 -1.03 -0.21 0.00 -2.14 0.00 0.00 52.86 49.26 2aiz s ASN 5 Cb 0.04 -1.52 0.09 0.00 1.28 0.00 0.00 41.25 41.14 2aiz s ASN 5 CO 0.71 -0.10 0.82 0.21 -2.04 0.00 0.00 177.10 176.71 2aiz s ASN 6 N 1.19 6.18 0.09 3.54 3.84 -1.26 -4.85 114.94 123.68 2aiz s ASN 6 Ca -0.02 -1.19 0.19 0.00 0.21 0.00 0.00 52.86 52.04 2aiz s ASN 6 Cb -0.17 -2.36 -0.11 0.00 -0.55 0.00 0.00 41.25 38.07 2aiz s ASN 6 CO -0.09 -1.26 0.85 -0.67 -2.79 0.00 0.00 177.10 173.15 2aiz n ASP 7 N 6.96 0.79 -0.64 -4.21 -0.08 -1.26 -5.07 116.55 113.04 2aiz n ASP 7 Ca -0.07 0.33 0.01 0.00 -1.51 0.00 0.00 54.79 53.56 2aiz n ASP 7 Cb 0.44 0.38 -0.00 0.00 2.34 0.00 0.00 41.12 44.27 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aiz n ALA 8 N -2.33 -0.22 -2.12 -1.67 0.00 -1.26 -4.72 120.51 108.19 2aiz n ALA 8 Ca -0.07 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2aiz n ALA 8 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.63 3.62 -0.12 0.00 0.00 -1.26 -4.92 121.76 117.46 2aiz s ALA 9 Ca 0.00 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.96 2aiz s ALA 9 Cb 0.00 -3.60 -0.26 0.00 0.00 0.00 0.00 23.12 19.25 2aiz s ALA 9 CO 0.00 -0.86 0.38 0.41 0.00 0.00 0.00 175.76 175.70 2aiz n GLY 10 N 3.69 -0.56 2.65 0.00 0.00 -1.26 -4.96 105.19 104.75 2aiz n GLY 10 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2aiz n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aiz n ASN 11 N -3.49 -5.03 0.04 1.61 3.02 -1.26 -4.83 115.26 105.32 2aiz n ASN 11 Ca -0.32 0.06 0.01 0.00 -0.03 0.00 0.00 54.58 54.31 2aiz n ASN 11 Cb 1.05 -2.72 -0.08 0.00 -0.61 0.00 0.00 39.78 37.42 2aiz n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aiz n GLY 12 N -0.38 -1.22 0.00 7.41 0.00 -1.26 -4.53 105.19 105.21 2aiz n GLY 12 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2aiz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aiz n ALA 13 N -2.37 -0.31 -3.99 4.61 0.00 -1.26 -4.89 120.51 112.30 2aiz n ALA 13 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 2aiz n ALA 13 Cb 0.80 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.25 2aiz n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz n ALA 14 N -1.49 -2.18 -4.31 0.00 0.00 -1.26 -4.96 120.51 106.31 2aiz n ALA 14 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2aiz n ALA 14 Cb 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 2aiz n ALA 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2aiz n GLN 15 N -4.48 0.71 -4.04 0.00 1.13 -1.26 -5.12 117.38 104.33 2aiz n GLN 15 Ca -0.25 -2.74 -0.32 0.00 -1.94 0.00 0.00 57.00 51.74 2aiz n GLN 15 Cb 0.66 1.37 -0.15 0.00 0.11 0.00 0.00 30.24 32.23 2aiz n GLN 15 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2aiz s THR 16 N -2.71 2.29 -0.48 5.09 -4.23 -1.26 -4.11 115.64 110.22 2aiz s THR 16 Ca 0.14 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 58.54 2aiz s THR 16 Cb 0.01 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.41 2aiz s THR 16 CO 0.10 -0.25 0.77 -0.36 -0.54 0.00 0.00 174.62 174.34 2aiz s PHE 17 N 1.04 2.96 0.00 3.99 0.08 0.39 -4.13 117.98 122.31 2aiz s PHE 17 Ca -0.01 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.99 2aiz s PHE 17 Cb -0.20 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 2aiz s PHE 17 CO -0.06 -1.07 0.00 0.41 -0.10 0.00 0.00 175.22 174.40 2aiz n GLY 18 N 5.06 0.13 0.00 4.36 0.00 -1.26 -2.61 105.19 110.87 2aiz n GLY 18 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.17 1.89 3.59 -0.02 0.00 -1.26 -4.86 105.19 104.37 2aiz n GLY 19 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.32 2.56 0.14 1.61 2.02 -1.07 -4.97 117.35 117.31 2aiz s TYR 20 Ca 0.00 -0.28 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 2aiz s TYR 20 Cb 0.00 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 2aiz s TYR 20 CO 0.00 0.63 0.19 0.45 -1.57 0.00 0.00 175.55 175.25 2aiz s SER 21 N -3.63 5.88 0.33 2.29 0.15 -1.26 0.15 113.70 117.61 2aiz s SER 21 Ca 0.31 0.02 0.12 0.00 0.70 0.00 0.00 55.95 57.11 2aiz s SER 21 Cb -0.05 -1.65 1.05 0.00 -1.71 0.00 0.00 66.02 63.65 2aiz s SER 21 CO 0.18 0.08 1.63 0.58 1.20 0.00 0.00 173.24 176.92 2aiz h VAL 22 N 1.95 0.20 0.00 4.45 2.07 -1.97 0.72 116.25 123.68 2aiz h VAL 22 Ca -0.48 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2aiz h VAL 22 Cb 1.19 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2aiz h VAL 22 CO 0.66 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.29 2aiz h ALA 23 N 1.89 1.00 0.02 1.67 0.00 -1.94 -1.40 119.26 120.49 2aiz h ALA 23 Ca 0.71 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 55.24 2aiz h ALA 23 Cb 1.66 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 2aiz h ALA 23 CO -0.69 0.00 -2.39 -3.47 0.00 0.00 0.00 179.25 172.70 2aiz n ASP 24 N -2.65 2.00 0.17 0.00 2.03 0.24 -3.93 116.55 114.41 2aiz n ASP 24 Ca -0.02 -0.05 0.12 0.00 0.52 0.00 0.00 54.79 55.37 2aiz n ASP 24 Cb 0.09 -0.51 0.60 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.05 0.00 0.00 -2.67 3.38 -0.91 1.12 115.31 116.18 2aiz h LEU 25 Ca -0.56 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.24 2aiz h LEU 25 Cb 1.90 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 2aiz h LEU 25 CO -0.08 0.00 -1.61 1.67 0.09 0.00 0.00 178.44 178.51 2aiz n GLN 26 N -2.35 0.63 0.00 1.13 7.27 -0.57 -4.52 117.38 118.98 2aiz n GLN 26 Ca -0.00 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.20 2aiz n GLN 26 Cb 0.12 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.04 2aiz n GLN 26 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2aiz n GLN 27 N -2.78 0.00 0.03 3.69 10.64 -0.88 -4.94 117.38 123.13 2aiz n GLN 27 Ca -0.12 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.04 2aiz n GLN 27 Cb 0.84 -0.01 -0.00 0.00 -0.86 0.00 0.00 30.24 30.21 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 0.00 0.07 -3.56 2.61 1.74 0.35 -4.98 116.66 112.89 2aiz n ARG 28 Ca 0.00 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 2aiz n ARG 28 Cb 0.00 -0.58 -0.08 0.00 -1.02 0.00 0.00 32.46 30.78 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 -2.02 3.44 0.00 -1.55 2.02 0.73 -4.70 117.35 115.27 2aiz s TYR 29 Ca -0.04 -1.93 0.00 0.00 -0.37 0.00 0.00 57.07 54.73 2aiz s TYR 29 Cb 0.01 -3.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 2aiz s TYR 29 CO 0.06 -0.99 0.07 0.27 -1.57 0.00 0.00 175.55 173.38 2aiz n ASN 30 N 4.83 -0.06 -4.04 2.29 0.23 -1.26 -4.03 115.26 113.21 2aiz n ASN 30 Ca -0.07 -0.14 -0.27 0.00 -0.53 0.00 0.00 54.58 53.57 2aiz n ASN 30 Cb 0.41 0.02 -0.17 0.00 -2.08 0.00 0.00 39.78 37.96 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 1.37 0.08 5.53 2.01 -1.26 -0.07 115.64 123.30 2aiz s THR 31 Ca 0.00 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2aiz s THR 31 Cb 0.00 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2aiz s THR 31 CO 0.00 0.41 0.11 -0.69 -0.69 0.00 0.00 174.62 173.76 2aiz s VAL 32 N 0.87 4.73 -0.22 3.82 1.01 -0.94 -4.96 120.40 124.72 2aiz s VAL 32 Ca -0.10 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2aiz s VAL 32 Cb -0.15 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2aiz s VAL 32 CO 0.01 0.12 -0.08 -0.31 0.00 0.00 0.00 175.10 174.84 2aiz s TYR 33 N -1.42 2.45 0.52 5.22 1.51 -1.26 -1.90 117.35 122.47 2aiz s TYR 33 Ca 0.31 -1.69 -0.01 0.00 -1.01 0.00 0.00 57.07 54.67 2aiz s TYR 33 Cb -0.12 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2aiz s TYR 33 CO 0.23 -0.76 0.77 -0.06 -1.11 0.00 0.00 175.55 174.62 2aiz s PHE 34 N 1.38 3.09 0.00 2.71 0.08 -0.72 -4.93 117.98 119.59 2aiz s PHE 34 Ca -0.03 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.25 2aiz s PHE 34 Cb -0.17 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 2aiz s PHE 34 CO -0.07 -0.68 0.00 0.41 -0.10 0.00 0.00 175.22 174.78 2aiz n GLY 35 N -2.31 3.49 3.70 4.36 0.00 -1.26 -4.76 105.19 108.40 2aiz n GLY 35 Ca 0.04 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 0.36 2.45 -1.24 1.61 5.36 -1.26 -2.07 117.98 123.19 2aiz s PHE 36 Ca 0.00 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2aiz s PHE 36 Cb 0.00 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.62 2aiz s PHE 36 CO 0.00 -4.24 0.00 -3.47 -1.46 0.00 0.00 175.22 166.05 2aiz n ASP 37 N 5.24 -4.12 -4.81 6.13 -0.08 -1.26 -4.94 116.55 112.72 2aiz n ASP 37 Ca 0.16 0.20 -0.36 0.00 -1.51 0.00 0.00 54.79 53.28 2aiz n ASP 37 Cb 0.39 -3.55 -0.07 0.00 2.34 0.00 0.00 41.12 40.23 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2aiz s LYS 38 N -4.64 3.62 -0.18 -0.67 3.01 -0.88 -4.99 119.74 115.01 2aiz s LYS 38 Ca 0.00 -0.20 0.21 0.00 -1.01 0.00 0.00 55.97 54.97 2aiz s LYS 38 Cb 0.00 -3.21 0.47 0.00 -1.01 0.00 0.00 37.83 34.08 2aiz s LYS 38 CO 0.00 0.62 1.15 2.48 0.51 0.00 0.00 175.35 180.11 2aiz n TYR 39 N 2.49 0.96 -3.89 3.18 4.11 -1.26 -4.60 117.16 118.15 2aiz n TYR 39 Ca -0.19 -1.59 -0.11 0.00 -0.00 0.00 0.00 57.90 56.02 2aiz n TYR 39 Cb 0.54 -0.22 -0.10 0.00 -0.00 0.00 0.00 39.34 39.56 2aiz n TYR 39 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2aiz s ASP 40 N -3.17 0.06 0.55 9.48 1.11 -1.26 -4.51 116.67 118.93 2aiz s ASP 40 Ca 0.33 -0.28 -0.04 0.00 0.18 0.00 0.00 52.55 52.74 2aiz s ASP 40 Cb 0.36 0.20 0.00 0.00 1.07 0.00 0.00 42.92 44.55 2aiz s ASP 40 CO -0.07 -0.39 0.83 -0.63 1.18 0.00 0.00 175.17 176.10 2aiz s ILE 41 N -1.56 3.76 0.10 0.77 1.09 -1.26 -4.90 121.20 119.19 2aiz s ILE 41 Ca -0.14 -0.13 0.08 0.00 -1.10 0.00 0.00 60.65 59.35 2aiz s ILE 41 Cb -0.07 -3.46 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 2aiz s ILE 41 CO 0.01 -0.43 -0.14 -0.89 -0.10 0.00 0.00 174.94 173.39 2aiz s THR 42 N -2.87 3.13 0.48 2.92 2.01 -1.26 -5.01 115.64 115.05 2aiz s THR 42 Ca 0.52 -1.32 0.37 0.00 0.31 0.00 0.00 61.69 61.58 2aiz s THR 42 Cb -0.10 -2.43 0.57 0.00 0.01 0.00 0.00 72.50 70.55 2aiz s THR 42 CO 0.43 0.15 1.60 1.23 -0.69 0.00 0.00 174.62 177.34 2aiz h GLY 43 N 3.81 0.88 1.83 4.40 0.00 -2.00 0.87 103.07 112.87 2aiz h GLY 43 Ca -0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2aiz h GLY 43 CO 0.49 -0.29 -0.01 -2.09 0.00 0.00 0.00 176.54 174.64 2aiz h GLU 44 N 0.03 0.22 -0.14 4.80 4.81 -2.04 -2.33 114.58 119.93 2aiz h GLU 44 Ca 0.87 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.06 2aiz h GLU 44 Cb 3.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 32.34 2aiz h GLU 44 CO -0.29 0.26 0.00 0.66 -0.73 0.00 0.00 179.01 178.90 2aiz n TYR 45 N -4.39 0.15 -0.12 0.92 4.01 0.30 -4.42 117.16 113.61 2aiz n TYR 45 Ca -0.01 -0.08 -0.10 0.00 -0.16 0.00 0.00 57.90 57.56 2aiz n TYR 45 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 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 4.66 1.24 -1.00 -0.72 2.07 -1.01 -3.14 116.25 118.34 2aiz h VAL 46 Ca 0.00 -0.83 0.33 0.00 0.82 0.00 0.00 66.70 67.03 2aiz h VAL 46 Cb 1.00 1.07 -0.18 0.00 -1.52 0.00 0.00 31.29 31.66 2aiz h VAL 46 CO 0.00 0.28 0.23 -0.61 0.02 0.00 0.00 177.57 177.49 2aiz h GLN 47 N 0.44 0.00 -0.23 1.57 5.75 -1.77 0.36 115.11 121.23 2aiz h GLN 47 Ca 0.11 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2aiz h GLN 47 Cb 0.35 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2aiz h GLN 47 CO 0.01 0.00 0.11 0.82 -2.65 0.00 0.00 178.83 177.12 2aiz h ILE 48 N 0.00 1.13 -0.02 2.39 2.04 -1.87 -1.18 117.51 120.01 2aiz h ILE 48 Ca 0.70 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 66.22 2aiz h ILE 48 Cb 1.65 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2aiz h ILE 48 CO -0.87 0.13 -0.12 -0.07 0.00 0.00 0.00 178.15 177.21 2aiz h LEU 49 N 0.24 -0.37 -0.52 1.44 3.38 -0.41 1.14 115.31 120.22 2aiz h LEU 49 Ca 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2aiz h LEU 49 Cb 0.10 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2aiz h LEU 49 CO -0.01 -0.17 0.30 -2.24 0.09 0.00 0.00 178.44 176.41 2aiz h ASP 50 N -0.20 0.63 -0.05 -0.43 3.04 -1.33 0.44 116.42 118.52 2aiz h ASP 50 Ca 0.05 -0.07 -0.16 0.00 -3.24 0.00 0.00 57.03 53.61 2aiz h ASP 50 Cb 0.27 -0.16 -0.00 0.00 -1.04 0.00 0.00 39.33 38.39 2aiz h ASP 50 CO -0.14 0.51 -0.54 0.00 -2.04 0.00 0.00 179.24 177.04 2aiz h ALA 51 N 1.14 0.65 -0.21 4.15 0.00 -0.94 -2.31 119.26 121.74 2aiz h ALA 51 Ca 0.18 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2aiz h ALA 51 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2aiz h ALA 51 CO -0.03 0.69 -0.20 0.45 0.00 0.00 0.00 179.25 180.15 2aiz h HIS 52 N 0.49 0.41 -0.00 0.00 3.86 0.16 -2.59 115.15 117.47 2aiz h HIS 52 Ca 0.01 -0.07 -0.17 0.00 -1.16 0.00 0.00 60.37 58.98 2aiz h HIS 52 Cb 1.10 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 2aiz h HIS 52 CO 0.05 0.56 -0.79 0.00 0.86 0.00 0.00 177.93 178.61 2aiz h ALA 53 N 1.45 0.67 -0.24 2.45 0.00 -0.76 -2.16 119.26 120.66 2aiz h ALA 53 Ca 0.06 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 2aiz h ALA 53 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2aiz h ALA 53 CO 0.04 0.93 -0.40 0.00 0.00 0.00 0.00 179.25 179.82 2aiz h ALA 54 N 1.14 0.37 -0.05 0.00 0.00 -1.12 -1.10 119.26 118.51 2aiz h ALA 54 Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2aiz h ALA 54 Cb 1.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2aiz h ALA 54 CO 0.11 0.48 -0.78 0.10 0.00 0.00 0.00 179.25 179.15 2aiz h TYR 55 N 0.42 0.48 -0.13 0.00 -0.00 -1.53 -2.33 116.97 113.87 2aiz h TYR 55 Ca 0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 58.73 58.35 2aiz h TYR 55 Cb 1.00 -0.07 -0.00 0.00 0.00 0.00 0.00 36.73 37.65 2aiz h TYR 55 CO 0.08 0.99 -0.65 1.25 -0.00 0.00 0.00 178.16 179.84 2aiz h LEU 56 N 0.22 0.55 -0.63 0.10 5.85 -1.40 -2.64 115.31 117.36 2aiz h LEU 56 Ca -0.04 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.21 2aiz h LEU 56 Cb 1.37 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2aiz h LEU 56 CO 0.13 1.05 -0.65 -1.13 -0.34 0.00 0.00 178.44 177.50 2aiz h ASN 57 N 0.35 0.16 1.23 1.25 -1.24 -1.20 -2.86 115.58 113.27 2aiz h ASN 57 Ca -0.01 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2aiz h ASN 57 Cb 1.21 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2aiz h ASN 57 CO 0.12 0.77 0.00 0.00 -1.29 0.00 0.00 177.43 177.02 2aiz h ALA 58 N 1.23 1.00 -3.17 1.57 0.00 -1.29 -3.41 119.26 115.19 2aiz h ALA 58 Ca -0.01 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 2aiz h ALA 58 Cb 1.16 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 2aiz h ALA 58 CO 0.09 0.00 -0.64 0.95 0.00 0.00 0.00 179.25 179.66 2aiz s THR 59 N -3.40 3.65 0.09 0.00 -4.23 -1.01 -5.03 115.64 105.72 2aiz s THR 59 Ca 0.05 -1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 59.27 2aiz s THR 59 Cb 0.09 -3.00 -0.09 0.00 1.34 0.00 0.00 72.50 70.83 2aiz s THR 59 CO 0.54 -0.06 1.41 -0.65 -0.54 0.00 0.00 174.62 175.32 2aiz h PRO 60 N 8.18 -0.38 -0.86 3.99 0.11 -1.80 -2.30 132.00 138.93 2aiz h PRO 60 Ca -0.26 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 2aiz h PRO 60 Cb 1.09 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2aiz h PRO 60 CO 0.59 -0.25 0.09 0.00 -0.21 0.00 0.00 178.00 178.22 2aiz n ALA 61 N -2.93 3.39 -2.59 -0.75 0.00 -1.26 -4.86 120.51 111.51 2aiz n ALA 61 Ca -0.04 -1.03 -0.41 0.00 0.00 0.00 0.00 53.44 51.95 2aiz n ALA 61 Cb 0.28 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.75 3.50 -0.07 0.00 0.00 -0.87 -5.04 121.76 117.53 2aiz s ALA 62 Ca 0.26 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.53 2aiz s ALA 62 Cb 0.20 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 2aiz s ALA 62 CO 0.07 -1.17 -0.21 -1.59 0.00 0.00 0.00 175.76 172.85 2aiz s LYS 63 N 2.63 2.52 -0.07 0.00 0.00 -1.26 -4.81 119.74 118.75 2aiz s LYS 63 Ca 0.25 -0.78 -0.13 0.00 0.00 0.00 0.00 55.97 55.31 2aiz s LYS 63 Cb -0.15 -2.01 -0.05 0.00 0.00 0.00 0.00 37.83 35.62 2aiz s LYS 63 CO 0.13 0.22 0.33 0.54 0.00 0.00 0.00 175.35 176.57 2aiz s VAL 64 N 0.20 5.20 -0.41 1.79 0.11 0.20 -4.71 120.40 122.78 2aiz s VAL 64 Ca -0.12 0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 59.47 2aiz s VAL 64 Cb -0.15 -3.63 0.06 0.00 -1.53 0.00 0.00 36.38 31.13 2aiz s VAL 64 CO 0.06 0.53 0.26 -0.22 -3.33 0.00 0.00 175.10 172.40 2aiz s LEU 65 N -0.65 5.10 -0.59 2.54 0.20 0.55 -1.31 118.68 124.51 2aiz s LEU 65 Ca 0.20 -1.34 -0.25 0.00 0.69 0.00 0.00 54.13 53.44 2aiz s LEU 65 Cb -0.15 -2.02 0.04 0.00 -0.43 0.00 0.00 46.19 43.63 2aiz s LEU 65 CO 0.09 -0.51 1.02 -0.69 -0.29 0.00 0.00 176.35 175.97 2aiz s VAL 66 N 1.49 4.25 -0.26 1.68 1.01 0.26 0.80 120.40 129.64 2aiz s VAL 66 Ca 0.03 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.11 2aiz s VAL 66 Cb -0.22 -4.63 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 2aiz s VAL 66 CO 0.04 -1.28 0.63 -1.61 0.00 0.00 0.00 175.10 172.88 2aiz s GLU 67 N 4.32 4.10 -0.82 2.72 2.02 -0.83 -1.70 118.70 128.51 2aiz s GLU 67 Ca 0.32 0.54 -0.24 0.00 0.02 0.00 0.00 54.97 55.61 2aiz s GLU 67 Cb -0.12 -3.65 0.06 0.00 0.10 0.00 0.00 34.13 30.52 2aiz s GLU 67 CO 0.18 -0.42 1.23 0.20 0.02 0.00 0.00 175.26 176.47 2aiz s GLY 68 N 1.48 1.24 0.20 -1.39 0.00 0.26 -1.62 107.32 107.48 2aiz s GLY 68 Ca 0.26 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2aiz s GLY 68 CO 0.09 2.44 0.37 -1.31 0.00 0.00 0.00 173.10 174.69 2aiz s ASN 69 N 4.05 6.37 0.05 1.64 0.01 0.32 -2.02 114.94 125.35 2aiz s ASN 69 Ca 0.35 0.33 -0.27 0.00 -0.71 0.00 0.00 52.86 52.56 2aiz s ASN 69 Cb -0.07 -1.98 0.09 0.00 0.41 0.00 0.00 41.25 39.70 2aiz s ASN 69 CO 0.04 -0.04 1.20 0.42 -1.51 0.00 0.00 177.10 177.21 2aiz s THR 70 N -1.87 0.00 0.46 1.60 -4.23 0.23 -2.27 115.64 109.56 2aiz s THR 70 Ca 0.37 -0.33 -0.22 0.00 -1.18 0.00 0.00 61.69 60.34 2aiz s THR 70 Cb -0.11 -2.62 -0.08 0.00 1.34 0.00 0.00 72.50 71.02 2aiz s THR 70 CO 0.29 0.00 1.07 1.51 -0.54 0.00 0.00 174.62 176.95 2aiz s ASP 71 N -3.43 6.40 0.55 3.99 -4.77 -1.26 -4.54 116.67 113.61 2aiz s ASP 71 Ca 0.22 2.04 0.26 0.00 -3.30 0.00 0.00 52.55 51.77 2aiz s ASP 71 Cb 0.00 -2.58 1.47 0.00 -1.09 0.00 0.00 42.92 40.72 2aiz s ASP 71 CO 0.00 -0.74 2.02 -0.33 0.70 0.00 0.00 175.17 176.83 2aiz h GLU 72 N 1.91 0.00 -5.43 2.11 3.07 -1.91 -3.41 114.58 110.93 2aiz h GLU 72 Ca -0.49 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.75 2aiz h GLU 72 Cb 1.23 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.07 2aiz h GLU 72 CO 0.60 0.00 1.54 -2.13 -1.40 0.00 0.00 179.01 177.62 2aiz n ARG 73 N -4.15 0.00 0.00 2.33 0.63 -1.26 -4.49 116.66 109.72 2aiz n ARG 73 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2aiz n ARG 73 Cb 0.50 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.92 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2aiz n GLY 74 N 6.91 2.61 3.79 5.14 0.00 -1.26 -4.93 105.19 117.45 2aiz n GLY 74 Ca 0.60 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.67 4.07 0.27 2.61 -4.23 -1.26 -4.62 115.64 109.82 2aiz s THR 75 Ca 0.00 1.53 0.01 0.00 -1.18 0.00 0.00 61.69 62.05 2aiz s THR 75 Cb 0.00 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.34 2aiz s THR 75 CO 0.00 -0.05 1.74 -0.65 -0.54 0.00 0.00 174.62 175.12 2aiz h PRO 76 N 2.53 0.52 -0.27 3.99 0.11 -1.90 1.27 132.00 138.24 2aiz h PRO 76 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2aiz h PRO 76 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2aiz h PRO 76 CO 0.63 0.34 0.12 0.93 -0.21 0.00 0.00 178.00 179.80 2aiz h GLU 77 N 0.53 0.41 0.02 1.05 3.07 -1.98 0.86 114.58 118.54 2aiz h GLU 77 Ca 0.50 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 59.08 2aiz h GLU 77 Cb 0.81 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 2aiz h GLU 77 CO -0.43 0.42 -0.95 0.10 -1.40 0.00 0.00 179.01 176.75 2aiz h TYR 78 N 0.30 0.24 0.00 4.33 -0.00 -1.81 -2.80 116.97 117.23 2aiz h TYR 78 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 58.73 58.68 2aiz h TYR 78 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 36.87 2aiz h TYR 78 CO -0.01 1.01 0.00 0.09 -0.00 0.00 0.00 178.16 179.25 2aiz n ASN 79 N -3.57 0.00 -0.20 0.10 5.03 0.43 -1.30 115.26 115.76 2aiz n ASN 79 Ca -0.03 0.66 0.19 0.00 0.87 0.00 0.00 54.58 56.27 2aiz n ASN 79 Cb 0.87 -0.25 0.35 0.00 -1.02 0.00 0.00 39.78 39.72 2aiz n ASN 79 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2aiz n ILE 80 N -1.26 -0.26 0.27 2.41 -0.00 0.30 0.25 119.36 121.07 2aiz n ILE 80 Ca 0.00 1.24 -0.16 0.00 -0.00 0.00 0.00 62.75 63.83 2aiz n ILE 80 Cb 0.00 -2.00 -0.08 0.00 -0.00 0.00 0.00 39.64 37.55 2aiz n ILE 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2aiz h ALA 81 N 1.22 -0.65 -0.76 -1.39 0.00 -1.31 1.29 119.26 117.66 2aiz h ALA 81 Ca 0.51 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.39 2aiz h ALA 81 Cb 1.32 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.23 2aiz h ALA 81 CO -0.48 -0.81 -0.30 -0.07 0.00 0.00 0.00 179.25 177.59 2aiz h LEU 82 N -0.76 -1.08 -0.84 0.00 -0.00 0.48 0.54 115.31 113.65 2aiz h LEU 82 Ca -0.07 0.25 -0.11 0.00 -0.00 0.00 0.00 57.88 57.95 2aiz h LEU 82 Cb 0.55 0.59 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2aiz h LEU 82 CO 0.11 -0.29 -0.36 1.23 -0.00 0.00 0.00 178.44 179.13 2aiz h GLY 83 N -0.07 0.48 0.46 0.83 0.00 -1.14 -2.64 103.07 100.99 2aiz h GLY 83 Ca 0.31 -0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.29 2aiz h GLY 83 CO -0.81 0.40 0.27 -1.61 0.00 0.00 0.00 176.54 174.79 2aiz h GLN 84 N 0.37 0.46 -0.73 4.80 -0.00 0.67 1.06 115.11 121.74 2aiz h GLN 84 Ca 0.04 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.60 2aiz h GLN 84 Cb 0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.15 2aiz h GLN 84 CO 0.06 0.30 0.22 -0.09 0.00 0.00 0.00 178.83 179.33 2aiz h ARG 85 N 0.47 1.14 -0.95 1.69 9.65 -0.80 0.26 114.38 125.84 2aiz h ARG 85 Ca 0.31 -0.25 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2aiz h ARG 85 Cb 0.34 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 2aiz h ARG 85 CO -0.28 0.98 0.61 0.00 2.80 0.00 0.00 179.97 184.08 2aiz h ARG 86 N 1.09 1.26 -0.71 0.20 3.08 -0.47 -0.30 114.38 118.53 2aiz h ARG 86 Ca 0.23 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 2aiz h ARG 86 Cb 0.32 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2aiz h ARG 86 CO -0.01 0.85 0.19 0.00 -1.07 0.00 0.00 179.97 179.93 2aiz h ALA 87 N 1.38 0.99 -0.48 0.04 0.00 0.21 -1.71 119.26 119.69 2aiz h ALA 87 Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aiz h ALA 87 Cb -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2aiz h ALA 87 CO -0.07 0.66 0.30 0.22 0.00 0.00 0.00 179.25 180.36 2aiz h ASP 88 N 1.07 0.56 0.84 0.00 1.82 0.97 0.45 116.42 122.14 2aiz h ASP 88 Ca 0.23 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.80 2aiz h ASP 88 Cb 0.34 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.22 2aiz h ASP 88 CO -0.00 0.42 -0.41 0.00 -1.61 0.00 0.00 179.24 177.65 2aiz h ALA 89 N 1.68 -1.23 -0.49 -0.78 0.00 -0.20 0.28 119.26 118.51 2aiz h ALA 89 Ca 0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2aiz h ALA 89 Cb -0.05 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2aiz h ALA 89 CO -0.04 -1.15 0.03 0.28 0.00 0.00 0.00 179.25 178.37 2aiz h VAL 90 N -1.20 1.24 -0.28 0.00 2.07 -1.26 -1.79 116.25 115.02 2aiz h VAL 90 Ca -0.12 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2aiz h VAL 90 Cb 0.87 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2aiz h VAL 90 CO 0.19 0.34 0.18 0.50 0.02 0.00 0.00 177.57 178.80 2aiz h LYS 91 N 0.75 0.37 0.00 1.57 3.11 -0.05 -1.73 116.57 120.59 2aiz h LYS 91 Ca 0.15 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.94 2aiz h LYS 91 Cb 0.42 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2aiz h LYS 91 CO 0.01 0.26 -0.14 0.78 -2.81 0.00 0.00 179.45 177.55 2aiz h GLY 92 N 0.37 0.00 0.50 5.01 0.00 -0.76 -2.16 103.07 106.03 2aiz h GLY 92 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2aiz h GLY 92 CO -0.02 0.00 -0.24 -1.82 0.00 0.00 0.00 176.54 174.46 2aiz h TYR 93 N 0.00 -0.62 -0.55 5.60 5.03 -0.45 -0.95 116.97 125.03 2aiz h TYR 93 Ca -0.00 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.42 2aiz h TYR 93 Cb 0.59 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 2aiz h TYR 93 CO 0.00 -0.39 0.38 -0.07 -1.32 0.00 0.00 178.16 176.76 2aiz h LEU 94 N -0.81 0.16 -0.77 2.82 3.38 -1.43 0.14 115.31 118.79 2aiz h LEU 94 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2aiz h LEU 94 Cb 0.52 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2aiz h LEU 94 CO 0.11 0.09 0.48 0.00 0.09 0.00 0.00 178.44 179.22 2aiz h ALA 95 N 1.73 0.98 0.00 1.53 0.00 -1.17 -0.87 119.26 121.46 2aiz h ALA 95 Ca 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2aiz h ALA 95 Cb 0.78 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2aiz h ALA 95 CO -0.04 0.42 -0.18 0.78 0.00 0.00 0.00 179.25 180.23 2aiz h GLY 96 N 1.05 0.00 1.95 0.00 0.00 0.67 -1.96 103.07 104.78 2aiz h GLY 96 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2aiz h GLY 96 CO -0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.76 2aiz n LYS 97 N -3.47 0.04 0.00 4.80 4.01 -0.40 -4.86 118.16 118.28 2aiz n LYS 97 Ca -0.01 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2aiz n LYS 97 Cb 0.35 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.37 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2aiz n GLY 98 N 0.73 0.86 3.71 0.72 0.00 -0.74 -5.06 105.19 105.42 2aiz n GLY 98 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 4.39 0.39 1.61 1.01 -0.80 -4.99 120.40 120.00 2aiz s VAL 99 Ca 0.00 1.74 -0.27 0.00 0.00 0.00 0.00 61.98 63.44 2aiz s VAL 99 Cb 0.00 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 2aiz s VAL 99 CO 0.00 0.15 1.45 -0.62 0.00 0.00 0.00 175.10 176.07 2aiz s ASP 100 N 0.96 6.30 0.32 3.32 -1.08 -1.26 -4.37 116.67 120.86 2aiz s ASP 100 Ca 0.55 2.97 0.04 0.00 -0.52 0.00 0.00 52.55 55.59 2aiz s ASP 100 Cb -0.26 -2.66 0.65 0.00 -1.46 0.00 0.00 42.92 39.19 2aiz s ASP 100 CO 0.29 -0.90 1.90 0.00 0.52 0.00 0.00 175.17 176.98 2aiz h ALA 101 N 2.89 1.63 0.00 3.66 0.00 -1.94 0.47 119.26 125.97 2aiz h ALA 101 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2aiz h ALA 101 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2aiz h ALA 101 CO 0.64 0.19 0.00 0.78 0.00 0.00 0.00 179.25 180.86 2aiz h GLY 102 N 0.89 0.00 0.84 0.00 0.00 -2.02 -0.52 103.07 102.25 2aiz h GLY 102 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2aiz h GLY 102 CO -0.17 0.00 -0.78 0.28 0.00 0.00 0.00 176.54 175.87 2aiz n LYS 103 N -2.75 0.21 -4.00 4.80 5.02 0.14 -4.88 118.16 116.70 2aiz n LYS 103 Ca -0.02 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 2aiz n LYS 103 Cb 0.11 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 2aiz n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aiz s LEU 104 N -3.75 4.16 -0.03 -0.35 1.43 -0.21 0.62 118.68 120.55 2aiz s LEU 104 Ca 0.06 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 2aiz s LEU 104 Cb 0.15 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2aiz s LEU 104 CO 0.76 0.31 0.20 -0.83 0.23 0.00 0.00 176.35 177.02 2aiz s GLY 105 N -1.55 -0.06 0.13 -3.19 0.00 -0.43 -4.94 107.32 97.28 2aiz s GLY 105 Ca 0.22 0.19 0.07 0.00 0.00 0.00 0.00 44.72 45.19 2aiz s GLY 105 CO 0.12 0.05 -0.15 -0.51 0.00 0.00 0.00 173.10 172.61 2aiz s THR 106 N -0.94 1.49 -0.30 0.90 -4.23 -1.26 0.91 115.64 112.21 2aiz s THR 106 Ca -0.10 -1.78 -0.17 0.00 -1.18 0.00 0.00 61.69 58.47 2aiz s THR 106 Cb -0.05 -1.63 0.18 0.00 1.34 0.00 0.00 72.50 72.34 2aiz s THR 106 CO 0.02 -0.38 1.16 0.68 -0.54 0.00 0.00 174.62 175.56 2aiz s VAL 107 N -2.09 -0.20 -0.08 2.29 -7.23 -0.69 -4.92 120.40 107.49 2aiz s VAL 107 Ca 0.11 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2aiz s VAL 107 Cb -0.05 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 2aiz s VAL 107 CO 0.04 0.00 -0.11 -0.94 -0.31 0.00 0.00 175.10 173.78 2aiz s SER 108 N 2.62 4.24 -0.25 4.85 1.04 -1.26 0.89 113.70 125.83 2aiz s SER 108 Ca -0.03 -0.17 0.11 0.00 0.48 0.00 0.00 55.95 56.34 2aiz s SER 108 Cb -0.06 -1.14 0.49 0.00 0.10 0.00 0.00 66.02 65.41 2aiz s SER 108 CO -0.12 0.31 1.43 -1.22 0.98 0.00 0.00 173.24 174.61 2aiz n TYR 109 N 2.59 0.94 0.00 5.02 4.01 -0.86 -4.76 117.16 124.11 2aiz n TYR 109 Ca -0.18 -1.39 0.00 0.00 -0.16 0.00 0.00 57.90 56.17 2aiz n TYR 109 Cb 0.52 -0.42 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 -1.01 0.00 1.53 2.72 0.00 -1.25 -0.67 105.19 106.51 2aiz n GLY 110 Ca 0.29 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.40 2aiz n GLY 110 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aiz n GLU 111 N 0.00 3.70 0.25 1.61 0.28 -1.26 -4.50 120.64 120.72 2aiz n GLU 111 Ca 0.00 -2.87 -0.15 0.00 -0.16 0.00 0.00 57.16 53.98 2aiz n GLU 111 Cb 0.00 -1.88 -0.08 0.00 1.43 0.00 0.00 31.44 30.91 2aiz n GLU 111 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2aiz h GLU 112 N 3.91 -0.60 -1.99 3.44 4.22 -1.26 -3.41 114.58 118.89 2aiz h GLU 112 Ca 0.00 0.04 -0.40 0.00 0.08 0.00 0.00 59.36 59.08 2aiz h GLU 112 Cb 1.44 0.14 -0.32 0.00 0.50 0.00 0.00 28.75 30.51 2aiz h GLU 112 CO 0.23 -0.34 -0.72 0.15 -2.18 0.00 0.00 179.01 176.16 2aiz s LYS 113 N -5.56 0.68 1.09 1.92 3.01 -1.21 -5.14 119.74 114.54 2aiz s LYS 113 Ca -0.16 -1.03 -0.13 0.00 -1.01 0.00 0.00 55.97 53.65 2aiz s LYS 113 Cb 0.03 -0.80 0.24 0.00 -1.01 0.00 0.00 37.83 36.29 2aiz s LYS 113 CO 0.59 -1.22 1.06 -2.14 0.51 0.00 0.00 175.35 174.15 2aiz s PRO 114 N 1.24 -0.30 -0.15 -1.68 0.02 -1.26 -4.99 135.00 127.88 2aiz s PRO 114 Ca 0.19 0.62 -0.15 0.00 0.02 0.00 0.00 61.00 61.69 2aiz s PRO 114 Cb -0.14 -1.64 -0.05 0.00 0.02 0.00 0.00 34.50 32.69 2aiz s PRO 114 CO -0.03 -3.25 -0.29 0.00 -0.33 0.00 0.00 177.00 173.10 2aiz n ALA 115 N -4.56 0.73 -2.57 -1.55 0.00 -1.26 -4.90 120.51 106.40 2aiz n ALA 115 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 2aiz n ALA 115 Cb 0.56 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.58 4.82 0.31 0.00 1.01 -1.26 -5.03 120.40 117.66 2aiz s VAL 116 Ca -0.24 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 2aiz s VAL 116 Cb 0.03 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 2aiz s VAL 116 CO 0.35 -0.39 1.32 -0.76 0.00 0.00 0.00 175.10 175.63 2aiz s LEU 117 N 2.89 4.42 0.00 3.92 1.43 -1.26 -4.85 118.68 125.23 2aiz s LEU 117 Ca 0.27 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 2aiz s LEU 117 Cb -0.14 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2aiz s LEU 117 CO 0.16 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.80 2aiz n GLY 118 N 1.17 1.06 2.25 -3.19 0.00 -1.26 -4.94 105.19 100.27 2aiz n GLY 118 Ca 0.02 -2.26 -0.21 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.71 -0.54 -4.17 1.61 1.44 -1.26 -4.73 115.22 106.85 2aiz n HIS 119 Ca 0.00 -3.44 -0.16 0.00 -2.01 0.00 0.00 57.72 52.11 2aiz n HIS 119 Cb 0.00 -0.17 -0.11 0.00 0.12 0.00 0.00 29.99 29.83 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 -1.50 1.54 0.48 4.39 1.11 -1.26 -4.92 116.67 116.51 2aiz s ASP 120 Ca 0.36 -0.73 0.41 0.00 0.18 0.00 0.00 52.55 52.77 2aiz s ASP 120 Cb 0.22 -0.02 1.56 0.00 1.07 0.00 0.00 42.92 45.75 2aiz s ASP 120 CO -0.11 -0.18 1.49 1.21 1.18 0.00 0.00 175.17 178.76 2aiz n GLU 121 N 0.86 -0.02 0.02 8.23 4.07 -1.26 0.71 120.64 133.25 2aiz n GLU 121 Ca -0.18 1.11 -0.12 0.00 -0.06 0.00 0.00 57.16 57.91 2aiz n GLU 121 Cb 0.56 -2.38 -0.09 0.00 -0.06 0.00 0.00 31.44 29.47 2aiz n GLU 121 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aiz h ALA 122 N 1.20 -0.12 -0.20 4.31 0.00 -1.98 -1.58 119.26 120.89 2aiz h ALA 122 Ca 0.88 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.40 2aiz h ALA 122 Cb 3.23 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 21.06 2aiz h ALA 122 CO -0.20 -0.24 -0.34 0.00 0.00 0.00 0.00 179.25 178.47 2aiz h ALA 123 N -0.05 0.31 -0.72 0.00 0.00 -0.61 -2.36 119.26 115.83 2aiz h ALA 123 Ca -0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2aiz h ALA 123 Cb 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2aiz h ALA 123 CO 0.02 0.36 0.24 1.88 0.00 0.00 0.00 179.25 181.75 2aiz h TYR 124 N 0.25 1.16 -0.37 0.00 -1.99 0.16 -1.57 116.97 114.61 2aiz h TYR 124 Ca 0.01 -0.11 -0.08 0.00 2.00 0.00 0.00 58.73 60.55 2aiz h TYR 124 Cb 0.93 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 2aiz h TYR 124 CO 0.09 0.91 -0.10 0.66 -0.00 0.00 0.00 178.16 179.72 2aiz h SER 125 N 1.07 0.62 0.71 3.88 4.64 -1.30 0.55 113.55 123.71 2aiz h SER 125 Ca 0.23 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 2aiz h SER 125 Cb 0.29 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2aiz h SER 125 CO -0.01 0.76 -0.25 0.11 -0.87 0.00 0.00 176.83 176.56 2aiz h LYS 126 N 0.58 0.00 0.01 4.77 1.57 -0.95 -2.99 116.57 119.56 2aiz h LYS 126 Ca 0.11 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.60 2aiz h LYS 126 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2aiz h LYS 126 CO 0.03 0.25 -1.62 -0.91 -0.57 0.00 0.00 179.45 176.63 2aiz h ASN 127 N 0.00 0.03 -0.38 0.86 2.35 -0.56 -3.43 115.58 114.45 2aiz h ASN 127 Ca -0.00 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.48 2aiz h ASN 127 Cb 0.68 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 2aiz h ASN 127 CO 0.03 1.06 0.63 -0.13 -1.65 0.00 0.00 177.43 177.37 2aiz s ARG 128 N -2.61 2.02 0.19 0.81 0.52 0.12 -0.60 118.95 119.39 2aiz s ARG 128 Ca -0.05 -0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 54.25 2aiz s ARG 128 Cb 0.08 -5.10 0.05 0.00 0.52 0.00 0.00 34.95 30.50 2aiz s ARG 128 CO 0.82 -4.42 0.61 -0.98 0.02 0.00 0.00 175.30 171.35 2aiz s ARG 129 N 7.35 1.38 -0.30 3.54 1.70 -0.96 -1.76 118.95 129.91 2aiz s ARG 129 Ca 0.75 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 2aiz s ARG 129 Cb -0.04 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 35.01 2aiz s ARG 129 CO 0.12 -0.61 0.06 0.00 -1.08 0.00 0.00 175.30 173.80 2aiz s ALA 130 N -3.80 1.87 -0.30 7.88 0.00 -0.80 0.12 121.76 126.73 2aiz s ALA 130 Ca 0.04 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.07 2aiz s ALA 130 Cb -0.02 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 2aiz s ALA 130 CO -0.08 -1.55 0.59 0.08 0.00 0.00 0.00 175.76 174.80 2aiz s VAL 131 N 1.44 4.97 -0.50 0.00 1.01 -0.64 -2.21 120.40 124.47 2aiz s VAL 131 Ca 0.07 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 2aiz s VAL 131 Cb -0.18 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2aiz s VAL 131 CO -0.17 -0.11 1.69 -0.76 0.00 0.00 0.00 175.10 175.75 2aiz s LEU 132 N 2.52 3.40 0.04 3.92 2.01 0.90 -1.97 118.68 129.51 2aiz s LEU 132 Ca 0.23 0.63 0.06 0.00 0.01 0.00 0.00 54.13 55.07 2aiz s LEU 132 Cb -0.15 -3.03 -0.03 0.00 0.01 0.00 0.00 46.19 42.99 2aiz s LEU 132 CO 0.11 -1.94 -0.16 0.00 1.01 0.00 0.00 176.35 175.38 2aiz s ALA 133 N 7.36 2.68 -2.00 4.21 0.00 0.24 -4.87 121.76 129.37 2aiz s ALA 133 Ca 0.66 -1.17 0.21 0.00 0.00 0.00 0.00 51.96 51.67 2aiz s ALA 133 Cb -0.15 -0.81 1.27 0.00 0.00 0.00 0.00 23.12 23.43 2aiz s ALA 133 CO 0.26 0.58 1.65 0.66 0.00 0.00 0.00 175.76 178.91