#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 1.04 -3.40 0.00 2.88 -1.26 -4.83 113.62 108.05 2aiz n SER 2 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2aiz n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2aiz n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2aiz n SER 3 N -2.81 5.88 -0.09 -3.46 3.41 -1.26 -4.42 113.62 110.87 2aiz n SER 3 Ca 0.00 -2.57 -0.22 0.00 -0.26 0.00 0.00 58.87 55.82 2aiz n SER 3 Cb 0.46 -1.40 -0.12 0.00 -0.26 0.00 0.00 64.21 62.90 2aiz n SER 3 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aiz n SER 4 N 4.80 1.90 -3.33 4.04 3.41 -1.26 -4.88 113.62 118.30 2aiz n SER 4 Ca 0.60 0.39 -0.11 0.00 -0.26 0.00 0.00 58.87 59.49 2aiz n SER 4 Cb 0.26 -0.95 -0.07 0.00 -0.26 0.00 0.00 64.21 63.19 2aiz n SER 4 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2aiz s ASN 5 N -6.90 0.68 -0.09 4.04 2.47 -1.26 -5.13 114.94 108.76 2aiz s ASN 5 Ca -0.28 -0.54 0.00 0.00 0.42 0.00 0.00 52.86 52.46 2aiz s ASN 5 Cb 0.06 0.96 0.02 0.00 -1.45 0.00 0.00 41.25 40.84 2aiz s ASN 5 CO 0.62 -0.35 -0.08 0.54 -3.72 0.00 0.00 177.10 174.11 2aiz s ASN 6 N 2.43 1.84 -0.11 -4.21 2.20 -1.26 -5.02 114.94 110.81 2aiz s ASN 6 Ca 0.10 -0.25 -0.05 0.00 -0.94 0.00 0.00 52.86 51.72 2aiz s ASN 6 Cb -0.13 -0.74 -0.26 0.00 -2.00 0.00 0.00 41.25 38.12 2aiz s ASN 6 CO -0.29 -0.08 0.41 0.47 -2.94 0.00 0.00 177.10 174.68 2aiz n ASP 7 N 4.53 1.99 0.00 3.54 9.92 -1.26 -4.95 116.55 130.31 2aiz n ASP 7 Ca -0.16 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 2aiz n ASP 7 Cb 0.51 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aiz n ALA 8 N -2.94 0.00 -1.18 2.24 0.00 -1.26 -2.54 120.51 114.83 2aiz n ALA 8 Ca -0.30 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 52.97 2aiz n ALA 8 Cb 1.05 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.72 2aiz n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz n ALA 9 N 1.15 5.22 -0.29 0.00 0.00 -1.26 -4.62 120.51 120.71 2aiz n ALA 9 Ca 0.00 -2.73 0.06 0.00 0.00 0.00 0.00 53.44 50.77 2aiz n ALA 9 Cb 0.00 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.30 2aiz n ALA 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aiz h GLY 10 N 1.56 1.33 -1.73 0.00 0.00 -1.89 -3.47 103.07 98.88 2aiz h GLY 10 Ca 0.50 -0.26 0.35 0.00 0.00 0.00 0.00 47.33 47.92 2aiz h GLY 10 CO 0.96 0.00 0.88 -2.01 0.00 0.00 0.00 176.54 176.37 2aiz n ASN 11 N -4.85 -0.95 0.27 0.19 4.05 -1.26 -5.00 115.26 107.71 2aiz n ASN 11 Ca 0.16 -1.07 0.10 0.00 0.45 0.00 0.00 54.58 54.22 2aiz n ASN 11 Cb 0.39 1.44 0.72 0.00 1.23 0.00 0.00 39.78 43.56 2aiz n ASN 11 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2aiz h GLY 12 N 1.77 0.00 0.21 8.20 0.00 -1.96 -3.15 103.07 108.13 2aiz h GLY 12 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2aiz h GLY 12 CO 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.70 2aiz h ALA 13 N 1.97 -1.07 -5.81 3.60 0.00 -1.98 -3.47 119.26 112.50 2aiz h ALA 13 Ca -0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 2aiz h ALA 13 Cb 0.06 0.12 0.14 0.00 0.00 0.00 0.00 17.79 18.10 2aiz h ALA 13 CO 0.00 -1.05 -0.86 0.00 0.00 0.00 0.00 179.25 177.35 2aiz n ALA 14 N -2.15 -2.33 -2.15 0.00 0.00 -1.19 -5.02 120.51 107.67 2aiz n ALA 14 Ca -0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 2aiz n ALA 14 Cb 0.11 -4.06 -0.10 0.00 0.00 0.00 0.00 19.45 15.40 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 -5.27 0.80 0.02 0.00 -1.52 -1.26 -5.10 119.66 107.34 2aiz s GLN 15 Ca 0.29 -1.33 -0.00 0.00 -1.95 0.00 0.00 55.36 52.37 2aiz s GLN 15 Cb -0.06 -0.03 -0.02 0.00 -0.22 0.00 0.00 33.01 32.67 2aiz s GLN 15 CO 0.78 -0.08 -0.03 -0.08 -0.25 0.00 0.00 175.29 175.63 2aiz s THR 16 N -3.77 0.12 -0.20 -0.19 -1.32 -1.26 -4.32 115.64 104.70 2aiz s THR 16 Ca 0.13 -0.98 -0.02 0.00 -1.21 0.00 0.00 61.69 59.60 2aiz s THR 16 Cb 0.06 -0.37 0.06 0.00 -1.51 0.00 0.00 72.50 70.74 2aiz s THR 16 CO -0.05 -0.54 0.03 -0.36 -2.21 0.00 0.00 174.62 171.49 2aiz s PHE 17 N -1.67 1.21 0.00 9.09 0.08 0.32 -4.80 117.98 122.21 2aiz s PHE 17 Ca -0.14 -1.00 0.00 0.00 0.12 0.00 0.00 56.93 55.91 2aiz s PHE 17 Cb -0.08 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.25 2aiz s PHE 17 CO -0.02 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 174.87 2aiz n GLY 18 N 5.00 0.04 0.00 4.36 0.00 -1.26 -2.42 105.19 110.91 2aiz n GLY 18 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.58 2.96 3.48 -0.02 0.00 -1.26 -4.84 105.19 106.09 2aiz n GLY 19 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.14 2.23 0.19 1.61 2.02 -1.02 -4.99 117.35 117.25 2aiz s TYR 20 Ca 0.00 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 2aiz s TYR 20 Cb 0.00 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 2aiz s TYR 20 CO 0.00 0.58 0.27 -1.54 -1.57 0.00 0.00 175.55 173.29 2aiz s SER 21 N -3.52 6.12 0.32 2.29 1.04 -1.26 0.12 113.70 118.81 2aiz s SER 21 Ca 0.30 0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.88 2aiz s SER 21 Cb -0.01 -1.77 0.91 0.00 0.10 0.00 0.00 66.02 65.25 2aiz s SER 21 CO 0.14 0.01 1.67 0.58 0.98 0.00 0.00 173.24 176.63 2aiz h VAL 22 N 1.56 0.36 0.00 5.02 2.07 -1.96 0.72 116.25 124.02 2aiz h VAL 22 Ca -0.49 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2aiz h VAL 22 Cb 1.21 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2aiz h VAL 22 CO 0.65 0.06 0.00 0.00 0.02 0.00 0.00 177.57 178.30 2aiz h ALA 23 N 1.80 1.00 0.01 1.67 0.00 -1.94 -0.62 119.26 121.18 2aiz h ALA 23 Ca 0.65 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 55.15 2aiz h ALA 23 Cb 1.38 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2aiz h ALA 23 CO -0.59 0.00 -2.45 -3.47 0.00 0.00 0.00 179.25 172.74 2aiz n ASP 24 N -2.85 1.98 0.29 0.00 2.03 0.22 -3.95 116.55 114.27 2aiz n ASP 24 Ca -0.00 0.07 0.20 0.00 0.52 0.00 0.00 54.79 55.57 2aiz n ASP 24 Cb 0.20 -0.59 0.97 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.38 0.00 0.00 -2.67 3.38 -0.53 1.22 115.31 116.33 2aiz h LEU 25 Ca -0.61 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.22 2aiz h LEU 25 Cb 1.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 2aiz h LEU 25 CO -0.21 0.00 -1.26 0.06 0.09 0.00 0.00 178.44 177.13 2aiz h GLN 26 N 0.00 0.00 0.00 1.13 -0.00 -1.29 -3.37 115.11 111.59 2aiz h GLN 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2aiz h GLN 26 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 2aiz h GLN 26 CO 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 178.83 179.11 2aiz n GLN 27 N -2.91 2.08 -0.01 0.06 -0.00 -0.93 -4.92 117.38 110.77 2aiz n GLN 27 Ca -0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.00 56.89 2aiz n GLN 27 Cb 0.79 -0.24 -0.00 0.00 -0.00 0.00 0.00 30.24 30.79 2aiz n GLN 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2aiz n ARG 28 N -0.30 0.08 -3.56 2.61 0.00 0.42 -4.92 116.66 110.98 2aiz n ARG 28 Ca 0.00 0.03 -0.40 0.00 -0.00 0.00 0.00 57.85 57.48 2aiz n ARG 28 Cb 0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 32.46 31.95 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 -1.45 3.61 0.00 -0.14 2.02 -0.84 -4.70 117.35 115.85 2aiz s TYR 29 Ca -0.05 -2.50 0.00 0.00 -0.37 0.00 0.00 57.07 54.16 2aiz s TYR 29 Cb 0.01 -3.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 2aiz s TYR 29 CO 0.07 -0.89 0.51 0.27 -1.57 0.00 0.00 175.55 173.94 2aiz n ASN 30 N 3.49 0.00 -4.18 2.29 2.04 -1.26 -4.55 115.26 113.09 2aiz n ASN 30 Ca 0.12 -1.24 -0.30 0.00 -0.44 0.00 0.00 54.58 52.72 2aiz n ASN 30 Cb 0.41 -0.05 -0.17 0.00 -2.53 0.00 0.00 39.78 37.44 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2aiz s THR 31 N 0.00 1.86 0.10 5.53 2.01 -1.26 0.17 115.64 124.04 2aiz s THR 31 Ca 0.00 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.14 2aiz s THR 31 Cb 0.00 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2aiz s THR 31 CO 0.00 0.52 0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 2aiz s VAL 32 N 0.43 4.19 -0.23 3.82 1.01 -0.92 -4.96 120.40 123.74 2aiz s VAL 32 Ca -0.18 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2aiz s VAL 32 Cb -0.17 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.24 2aiz s VAL 32 CO 0.08 0.10 -0.10 -0.31 0.00 0.00 0.00 175.10 174.87 2aiz s TYR 33 N -1.38 2.71 0.57 5.22 1.51 -1.26 -1.86 117.35 122.86 2aiz s TYR 33 Ca 0.27 -1.88 0.01 0.00 -1.01 0.00 0.00 57.07 54.46 2aiz s TYR 33 Cb -0.12 -1.73 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2aiz s TYR 33 CO 0.20 -0.80 0.79 -0.06 -1.11 0.00 0.00 175.55 174.57 2aiz s PHE 34 N 1.29 2.73 0.61 2.71 0.08 -0.45 -4.82 117.98 120.13 2aiz s PHE 34 Ca -0.05 -0.04 0.09 0.00 0.12 0.00 0.00 56.93 57.05 2aiz s PHE 34 Cb -0.18 -2.77 0.10 0.00 -0.57 0.00 0.00 43.02 39.60 2aiz s PHE 34 CO -0.07 -0.95 0.84 0.20 -0.10 0.00 0.00 175.22 175.14 2aiz s GLY 35 N -4.46 1.70 -0.01 4.36 0.00 -1.26 -4.66 107.32 103.00 2aiz s GLY 35 Ca 0.58 -2.20 -0.30 0.00 0.00 0.00 0.00 44.72 42.81 2aiz s GLY 35 CO 0.39 -1.68 1.82 -0.12 0.00 0.00 0.00 173.10 173.50 2aiz s PHE 36 N -2.75 1.62 -1.37 1.90 2.19 -1.26 -1.94 117.98 116.37 2aiz s PHE 36 Ca 0.63 -0.14 -0.06 0.00 0.33 0.00 0.00 56.93 57.69 2aiz s PHE 36 Cb -0.05 -4.08 0.01 0.00 -1.31 0.00 0.00 43.02 37.58 2aiz s PHE 36 CO 0.40 -4.73 0.82 -3.47 1.83 0.00 0.00 175.22 170.08 2aiz n ASP 37 N 7.36 -5.97 -4.26 6.13 -0.08 -1.26 -5.00 116.55 113.47 2aiz n ASP 37 Ca 0.19 -0.38 -0.30 0.00 -1.51 0.00 0.00 54.79 52.79 2aiz n ASP 37 Cb 0.42 -4.69 -0.16 0.00 2.34 0.00 0.00 41.12 39.02 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2aiz s LYS 38 N -5.91 2.15 -0.47 -0.67 2.47 -0.82 -5.05 119.74 111.45 2aiz s LYS 38 Ca 0.41 -0.86 0.08 0.00 -1.56 0.00 0.00 55.97 54.04 2aiz s LYS 38 Cb -0.18 -1.96 0.37 0.00 -1.46 0.00 0.00 37.83 34.60 2aiz s LYS 38 CO 0.51 0.45 0.93 2.48 0.16 0.00 0.00 175.35 179.87 2aiz n TYR 39 N 2.71 2.61 -3.75 4.03 4.11 -1.26 -4.47 117.16 121.14 2aiz n TYR 39 Ca -0.17 -3.63 -0.13 0.00 -0.00 0.00 0.00 57.90 53.97 2aiz n TYR 39 Cb 0.52 -0.38 -0.08 0.00 -0.00 0.00 0.00 39.34 39.40 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 -3.19 -0.20 0.41 9.48 1.01 -1.26 -4.82 116.67 118.10 2aiz s ASP 40 Ca 0.44 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.77 2aiz s ASP 40 Cb 0.34 0.33 -0.01 0.00 1.01 0.00 0.00 42.92 44.59 2aiz s ASP 40 CO -0.11 -0.49 0.62 -0.63 0.21 0.00 0.00 175.17 174.76 2aiz s ILE 41 N -1.55 4.33 0.10 0.77 1.09 -1.26 -4.77 121.20 119.90 2aiz s ILE 41 Ca -0.12 -0.53 0.07 0.00 -1.10 0.00 0.00 60.65 58.97 2aiz s ILE 41 Cb -0.04 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 37.74 2aiz s ILE 41 CO 0.03 -0.38 -0.11 0.42 -0.10 0.00 0.00 174.94 174.79 2aiz s THR 42 N -2.45 3.28 0.50 2.92 -4.23 -1.26 -5.00 115.64 109.40 2aiz s THR 42 Ca 0.46 -1.26 0.36 0.00 -1.18 0.00 0.00 61.69 60.06 2aiz s THR 42 Cb -0.10 -2.52 0.56 0.00 1.34 0.00 0.00 72.50 71.79 2aiz s THR 42 CO 0.37 0.14 1.70 1.23 -0.54 0.00 0.00 174.62 177.52 2aiz h GLY 43 N 3.74 0.50 1.69 3.99 0.00 -1.99 0.55 103.07 111.54 2aiz h GLY 43 Ca -0.49 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2aiz h GLY 43 CO 0.51 -0.12 -0.06 -2.09 0.00 0.00 0.00 176.54 174.78 2aiz h GLU 44 N 0.08 0.39 -0.02 4.80 4.81 -2.02 -2.79 114.58 119.83 2aiz h GLU 44 Ca 0.73 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 2aiz h GLU 44 Cb 2.61 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.94 2aiz h GLU 44 CO -0.15 0.47 -0.36 0.66 -0.73 0.00 0.00 179.01 178.90 2aiz n TYR 45 N -4.28 0.00 -0.22 0.92 4.01 0.18 -4.43 117.16 113.34 2aiz n TYR 45 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2aiz n TYR 45 Cb 0.26 0.00 0.04 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 2.87 1.21 -0.93 -0.72 2.07 -0.97 -2.97 116.25 116.80 2aiz h VAL 46 Ca 0.00 -0.53 0.28 0.00 0.82 0.00 0.00 66.70 67.27 2aiz h VAL 46 Cb 0.79 0.41 -0.15 0.00 -1.52 0.00 0.00 31.29 30.81 2aiz h VAL 46 CO 0.00 0.23 0.30 0.06 0.02 0.00 0.00 177.57 178.17 2aiz h GLN 47 N 0.86 0.17 -0.45 1.57 -0.00 -1.78 0.27 115.11 115.75 2aiz h GLN 47 Ca 0.22 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.91 2aiz h GLN 47 Cb 0.06 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.48 27.46 2aiz h GLN 47 CO -0.03 0.11 0.18 0.82 -0.00 0.00 0.00 178.83 179.90 2aiz h ILE 48 N 0.17 0.88 -0.80 1.86 2.04 -1.84 0.23 117.51 120.05 2aiz h ILE 48 Ca 0.63 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 66.40 2aiz h ILE 48 Cb 1.37 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 2aiz h ILE 48 CO -0.71 0.07 0.51 -0.07 0.00 0.00 0.00 178.15 177.95 2aiz h LEU 49 N 0.36 0.83 -0.33 1.44 3.38 -0.60 0.92 115.31 121.30 2aiz h LEU 49 Ca 0.21 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 2aiz h LEU 49 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2aiz h LEU 49 CO -0.19 0.56 -0.20 0.44 0.09 0.00 0.00 178.44 179.14 2aiz h ASP 50 N 0.97 0.75 -0.18 -0.43 5.19 -0.70 -1.26 116.42 120.76 2aiz h ASP 50 Ca 0.33 -0.42 -0.17 0.00 -0.62 0.00 0.00 57.03 56.15 2aiz h ASP 50 Cb 0.05 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.36 2aiz h ASP 50 CO -0.13 1.01 -0.54 0.00 -3.12 0.00 0.00 179.24 176.46 2aiz h ALA 51 N 0.76 0.31 -0.73 3.45 0.00 -0.17 -2.35 119.26 120.53 2aiz h ALA 51 Ca 0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2aiz h ALA 51 Cb 0.75 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2aiz h ALA 51 CO 0.06 0.52 0.32 0.45 0.00 0.00 0.00 179.25 180.60 2aiz h HIS 52 N 0.39 1.06 -0.39 0.00 3.86 0.85 -2.47 115.15 118.45 2aiz h HIS 52 Ca -0.02 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.02 2aiz h HIS 52 Cb 1.16 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 2aiz h HIS 52 CO 0.09 0.79 -0.21 0.00 0.86 0.00 0.00 177.93 179.45 2aiz h ALA 53 N 1.31 0.55 -0.56 2.45 0.00 -1.20 -1.06 119.26 120.75 2aiz h ALA 53 Ca 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2aiz h ALA 53 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2aiz h ALA 53 CO -0.03 0.52 0.31 0.00 0.00 0.00 0.00 179.25 180.05 2aiz h ALA 54 N 0.80 0.72 -0.17 0.00 0.00 -1.18 0.60 119.26 120.04 2aiz h ALA 54 Ca 0.08 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2aiz h ALA 54 Cb 0.77 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2aiz h ALA 54 CO 0.06 0.24 -0.60 0.10 0.00 0.00 0.00 179.25 179.05 2aiz h TYR 55 N 0.76 0.72 -0.02 0.00 -0.00 -1.44 -2.28 116.97 114.72 2aiz h TYR 55 Ca 0.20 -0.27 -0.20 0.00 0.00 0.00 0.00 58.73 58.46 2aiz h TYR 55 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 36.73 36.63 2aiz h TYR 55 CO -0.01 1.02 -0.84 1.25 -0.00 0.00 0.00 178.16 179.57 2aiz h LEU 56 N 0.42 0.39 -0.74 0.10 5.85 -0.90 -3.05 115.31 117.39 2aiz h LEU 56 Ca -0.00 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.29 2aiz h LEU 56 Cb 1.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2aiz h LEU 56 CO 0.11 1.07 -0.63 -1.13 -0.34 0.00 0.00 178.44 177.53 2aiz h ASN 57 N 0.19 0.02 1.19 1.25 -1.24 0.21 -2.79 115.58 114.40 2aiz h ASN 57 Ca -0.05 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.95 2aiz h ASN 57 Cb 1.45 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.50 2aiz h ASN 57 CO 0.14 0.64 0.00 0.00 -1.29 0.00 0.00 177.43 176.92 2aiz h ALA 58 N 1.36 1.00 -3.30 1.57 0.00 -1.35 -3.40 119.26 115.13 2aiz h ALA 58 Ca -0.01 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 2aiz h ALA 58 Cb 1.11 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 2aiz h ALA 58 CO 0.08 0.00 -0.68 0.95 0.00 0.00 0.00 179.25 179.61 2aiz s THR 59 N -3.41 3.31 0.08 0.00 -4.23 -1.05 -5.03 115.64 105.30 2aiz s THR 59 Ca 0.04 -1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 59.18 2aiz s THR 59 Cb 0.09 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 71.02 2aiz s THR 59 CO 0.53 -0.03 1.37 -0.65 -0.54 0.00 0.00 174.62 175.30 2aiz h PRO 60 N 8.09 -0.35 -0.88 3.99 0.11 -1.79 -2.24 132.00 138.92 2aiz h PRO 60 Ca -0.26 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 2aiz h PRO 60 Cb 1.09 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2aiz h PRO 60 CO 0.57 -0.23 0.06 0.00 -0.21 0.00 0.00 178.00 178.19 2aiz n ALA 61 N -2.89 3.19 -2.56 -0.75 0.00 -1.26 -4.84 120.51 111.40 2aiz n ALA 61 Ca -0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 2aiz n ALA 61 Cb 0.25 -1.08 -0.06 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 -1.55 3.40 -0.09 0.00 0.00 -0.85 -5.04 121.76 117.63 2aiz s ALA 62 Ca 0.21 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2aiz s ALA 62 Cb 0.16 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2aiz s ALA 62 CO 0.05 -1.57 -0.19 -1.59 0.00 0.00 0.00 175.76 172.47 2aiz s LYS 63 N 2.96 2.96 0.02 0.00 -2.85 -1.26 -4.85 119.74 116.73 2aiz s LYS 63 Ca 0.27 -0.79 -0.04 0.00 -1.00 0.00 0.00 55.97 54.41 2aiz s LYS 63 Cb -0.14 -2.39 -0.04 0.00 -2.06 0.00 0.00 37.83 33.20 2aiz s LYS 63 CO 0.18 0.31 0.24 0.54 0.10 0.00 0.00 175.35 176.71 2aiz s VAL 64 N 0.05 5.35 -0.43 1.79 0.11 0.11 -4.85 120.40 122.54 2aiz s VAL 64 Ca -0.08 -0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 58.83 2aiz s VAL 64 Cb -0.15 -3.57 0.09 0.00 -1.53 0.00 0.00 36.38 31.22 2aiz s VAL 64 CO 0.05 0.28 0.27 -0.76 -3.33 0.00 0.00 175.10 171.61 2aiz s LEU 65 N -2.03 5.24 -0.70 2.54 1.43 0.57 -1.79 118.68 123.94 2aiz s LEU 65 Ca 0.30 -1.62 -0.25 0.00 -1.03 0.00 0.00 54.13 51.53 2aiz s LEU 65 Cb -0.13 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.16 2aiz s LEU 65 CO 0.20 -0.56 1.14 -0.69 0.23 0.00 0.00 176.35 176.66 2aiz s VAL 66 N 1.39 4.00 -0.23 -1.59 1.01 -0.89 0.74 120.40 124.83 2aiz s VAL 66 Ca 0.04 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 2aiz s VAL 66 Cb -0.24 -4.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 2aiz s VAL 66 CO 0.01 -1.67 0.56 -0.70 0.00 0.00 0.00 175.10 173.31 2aiz s GLU 67 N 4.98 4.13 0.23 2.72 2.12 0.21 -1.88 118.70 131.21 2aiz s GLU 67 Ca 0.29 0.45 -0.16 0.00 0.36 0.00 0.00 54.97 55.91 2aiz s GLU 67 Cb -0.12 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.57 2aiz s GLU 67 CO 0.13 -0.30 0.68 0.20 -0.54 0.00 0.00 175.26 175.42 2aiz s GLY 68 N 1.38 2.48 0.09 -1.50 0.00 0.12 0.13 107.32 110.02 2aiz s GLY 68 Ca 0.24 0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.93 2aiz s GLY 68 CO 0.09 0.32 0.15 -1.31 0.00 0.00 0.00 173.10 172.35 2aiz s ASN 69 N -1.88 0.19 0.10 1.64 0.01 0.40 -2.00 114.94 113.41 2aiz s ASN 69 Ca 0.45 -0.78 -0.05 0.00 -0.71 0.00 0.00 52.86 51.77 2aiz s ASN 69 Cb -0.14 0.32 0.02 0.00 0.41 0.00 0.00 41.25 41.86 2aiz s ASN 69 CO 0.20 -0.73 0.26 0.35 -1.51 0.00 0.00 177.10 175.67 2aiz n THR 70 N -0.05 0.00 -2.02 1.60 -2.24 -1.05 -2.33 114.28 108.19 2aiz n THR 70 Ca -0.13 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 2aiz n THR 70 Cb 0.62 0.28 0.06 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.66 5.20 0.23 3.42 -4.77 -1.26 -4.48 116.67 113.36 2aiz s ASP 71 Ca 0.05 0.91 -0.06 0.00 -3.30 0.00 0.00 52.55 50.15 2aiz s ASP 71 Cb -0.01 -1.66 0.21 0.00 -1.09 0.00 0.00 42.92 40.37 2aiz s ASP 71 CO 0.03 -1.44 1.76 -0.08 0.70 0.00 0.00 175.17 176.14 2aiz h GLU 72 N -0.65 1.05 -5.44 2.11 4.22 -1.91 -3.38 114.58 110.58 2aiz h GLU 72 Ca -0.45 -0.23 -0.65 0.00 0.08 0.00 0.00 59.36 58.11 2aiz h GLU 72 Cb 1.28 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 2aiz h GLU 72 CO 0.63 0.92 1.44 0.54 -2.18 0.00 0.00 179.01 180.36 2aiz n ARG 73 N -4.25 0.00 0.00 1.92 5.12 -1.26 -4.53 116.66 113.66 2aiz n ARG 73 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2aiz n ARG 73 Cb 0.24 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 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 6.90 -0.66 3.90 -0.13 0.00 -1.26 -4.89 105.19 109.05 2aiz n GLY 74 Ca 0.57 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.39 5.40 0.33 2.61 -4.23 -1.26 -4.89 115.64 113.20 2aiz s THR 75 Ca 0.00 -0.21 0.11 0.00 -1.18 0.00 0.00 61.69 60.41 2aiz s THR 75 Cb 0.00 -3.54 0.32 0.00 1.34 0.00 0.00 72.50 70.62 2aiz s THR 75 CO 0.00 0.29 1.67 -0.65 -0.54 0.00 0.00 174.62 175.39 2aiz h PRO 76 N 3.70 0.33 -0.53 3.99 0.11 -1.91 0.41 132.00 138.10 2aiz h PRO 76 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2aiz h PRO 76 Cb 1.18 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2aiz h PRO 76 CO 0.70 0.22 -0.02 0.93 -0.21 0.00 0.00 178.00 179.62 2aiz h GLU 77 N 0.34 0.94 -0.24 1.05 5.08 -1.98 0.22 114.58 119.99 2aiz h GLU 77 Ca 0.69 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.65 2aiz h GLU 77 Cb 1.50 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 2aiz h GLU 77 CO -0.60 0.97 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.26 2aiz h TYR 78 N 0.82 0.66 0.00 4.33 5.03 -0.97 -2.70 116.97 124.13 2aiz h TYR 78 Ca 0.15 -0.19 0.00 0.00 2.58 0.00 0.00 58.73 61.27 2aiz h TYR 78 Cb 0.55 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2aiz h TYR 78 CO 0.04 0.87 0.00 0.09 -1.32 0.00 0.00 178.16 177.84 2aiz n ASN 79 N -4.40 0.00 -0.17 -2.11 4.13 0.11 -2.17 115.26 110.64 2aiz n ASN 79 Ca -0.04 0.70 0.09 0.00 1.68 0.00 0.00 54.58 57.00 2aiz n ASN 79 Cb 0.41 -0.24 0.17 0.00 -1.54 0.00 0.00 39.78 38.57 2aiz n ASN 79 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2aiz n ILE 80 N -1.23 -0.21 0.47 2.41 -0.00 0.75 0.99 119.36 122.54 2aiz n ILE 80 Ca 0.00 1.09 -0.19 0.00 -0.00 0.00 0.00 62.75 63.65 2aiz n ILE 80 Cb 0.00 -1.61 -0.09 0.00 -0.00 0.00 0.00 39.64 37.93 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 1.00 -1.31 -0.87 -1.39 0.00 -1.41 1.12 119.26 116.39 2aiz h ALA 81 Ca 0.32 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 55.19 2aiz h ALA 81 Cb 0.69 0.53 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2aiz h ALA 81 CO -0.46 -1.24 0.11 1.25 0.00 0.00 0.00 179.25 178.91 2aiz h LEU 82 N -1.23 -0.24 -0.70 0.00 7.12 0.11 0.87 115.31 121.24 2aiz h LEU 82 Ca -0.12 0.22 -0.10 0.00 0.13 0.00 0.00 57.88 58.01 2aiz h LEU 82 Cb 0.96 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 2aiz h LEU 82 CO 0.17 -0.22 -0.12 1.23 -0.13 0.00 0.00 178.44 179.36 2aiz h GLY 83 N 0.12 0.95 0.20 3.75 0.00 -0.79 -2.56 103.07 104.73 2aiz h GLY 83 Ca 0.53 -0.74 0.14 0.00 0.00 0.00 0.00 47.33 47.25 2aiz h GLY 83 CO -0.74 0.68 0.33 -1.61 0.00 0.00 0.00 176.54 175.20 2aiz h GLN 84 N 0.78 0.48 -0.61 4.80 4.15 0.86 1.05 115.11 126.61 2aiz h GLN 84 Ca 0.13 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 2aiz h GLN 84 Cb 0.64 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2aiz h GLN 84 CO 0.04 0.32 0.01 0.00 -1.93 0.00 0.00 178.83 177.27 2aiz h ARG 85 N 0.49 1.06 -0.89 1.69 3.08 -1.07 -0.76 114.38 117.98 2aiz h ARG 85 Ca 0.41 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2aiz h ARG 85 Cb 0.60 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 2aiz h ARG 85 CO -0.38 1.03 0.48 0.00 -1.07 0.00 0.00 179.97 180.03 2aiz h ARG 86 N 0.97 1.25 -0.73 0.04 3.08 -0.18 -0.68 114.38 118.14 2aiz h ARG 86 Ca 0.17 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2aiz h ARG 86 Cb 0.55 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2aiz h ARG 86 CO 0.03 0.91 0.44 0.00 -1.07 0.00 0.00 179.97 180.28 2aiz h ALA 87 N 1.28 1.41 -0.16 0.04 0.00 0.16 0.64 119.26 122.62 2aiz h ALA 87 Ca 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2aiz h ALA 87 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2aiz h ALA 87 CO -0.05 0.52 -0.05 -0.44 0.00 0.00 0.00 179.25 179.22 2aiz h ASP 88 N 1.00 0.22 0.61 0.00 3.32 0.31 0.89 116.42 122.77 2aiz h ASP 88 Ca 0.26 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2aiz h ASP 88 Cb -0.05 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.45 2aiz h ASP 88 CO -0.05 0.32 -0.29 0.00 -1.72 0.00 0.00 179.24 177.49 2aiz h ALA 89 N 1.71 -1.14 -0.62 3.45 0.00 0.07 -0.98 119.26 121.75 2aiz h ALA 89 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2aiz h ALA 89 Cb 0.25 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2aiz h ALA 89 CO 0.01 -1.08 0.27 0.28 0.00 0.00 0.00 179.25 178.73 2aiz h VAL 90 N -0.87 1.21 0.59 0.00 2.07 -1.38 -1.67 116.25 116.19 2aiz h VAL 90 Ca -0.08 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2aiz h VAL 90 Cb 0.63 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2aiz h VAL 90 CO 0.14 0.25 -0.42 0.50 0.02 0.00 0.00 177.57 178.06 2aiz h LYS 91 N 0.87 -0.92 0.00 1.57 3.11 -0.79 -2.03 116.57 118.38 2aiz h LYS 91 Ca 0.21 0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2aiz h LYS 91 Cb 0.13 0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2aiz h LYS 91 CO -0.02 -0.62 -0.00 0.78 -2.81 0.00 0.00 179.45 176.78 2aiz h GLY 92 N -0.96 0.00 0.83 5.01 0.00 -1.12 -2.17 103.07 104.66 2aiz h GLY 92 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2aiz h GLY 92 CO 0.04 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 174.41 2aiz h TYR 93 N 0.00 -0.91 -0.06 5.60 5.03 -0.60 0.41 116.97 126.44 2aiz h TYR 93 Ca -0.00 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.31 2aiz h TYR 93 Cb 0.09 0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 2aiz h TYR 93 CO 0.00 -0.54 0.04 -0.07 -1.32 0.00 0.00 178.16 176.27 2aiz h LEU 94 N -1.17 0.00 -0.81 2.82 3.38 -1.12 -0.17 115.31 118.25 2aiz h LEU 94 Ca -0.10 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2aiz h LEU 94 Cb 0.77 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2aiz h LEU 94 CO 0.16 0.00 0.26 0.00 0.09 0.00 0.00 178.44 178.96 2aiz h ALA 95 N 1.97 1.04 0.00 1.53 0.00 -0.98 0.56 119.26 123.38 2aiz h ALA 95 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2aiz h ALA 95 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2aiz h ALA 95 CO -0.00 0.66 -0.34 0.78 0.00 0.00 0.00 179.25 180.35 2aiz h GLY 96 N 1.12 0.00 1.99 0.00 0.00 0.93 -2.37 103.07 104.75 2aiz h GLY 96 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2aiz h GLY 96 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 2aiz n LYS 97 N -3.66 0.01 0.00 4.80 5.02 -0.85 -4.87 118.16 118.61 2aiz n LYS 97 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2aiz n LYS 97 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 1.23 0.92 3.69 0.72 0.00 -0.89 -5.09 105.19 105.77 2aiz n GLY 98 Ca 0.07 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 4.16 0.35 1.61 1.01 0.13 -4.98 120.40 120.68 2aiz s VAL 99 Ca 0.00 1.50 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 2aiz s VAL 99 Cb 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 2aiz s VAL 99 CO 0.00 0.02 1.45 -0.62 0.00 0.00 0.00 175.10 175.95 2aiz s ASP 100 N 1.45 6.47 0.39 3.32 2.15 -1.26 -3.85 116.67 125.33 2aiz s ASP 100 Ca 0.57 2.93 0.08 0.00 0.43 0.00 0.00 52.55 56.57 2aiz s ASP 100 Cb -0.26 -2.66 0.80 0.00 -0.30 0.00 0.00 42.92 40.50 2aiz s ASP 100 CO 0.24 -0.78 1.96 0.00 -0.17 0.00 0.00 175.17 176.41 2aiz h ALA 101 N 3.39 1.56 0.00 3.66 0.00 -1.94 -2.16 119.26 123.77 2aiz h ALA 101 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2aiz h ALA 101 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2aiz h ALA 101 CO 0.67 0.32 0.00 0.78 0.00 0.00 0.00 179.25 181.02 2aiz h GLY 102 N 0.66 0.00 -0.99 0.00 0.00 -2.02 -0.56 103.07 100.16 2aiz h GLY 102 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2aiz h GLY 102 CO 0.01 0.00 -0.39 0.58 0.00 0.00 0.00 176.54 176.74 2aiz n LYS 103 N -3.08 1.44 -3.91 4.80 2.85 -0.82 -4.87 118.16 114.56 2aiz n LYS 103 Ca -0.02 -1.02 -0.35 0.00 -1.05 0.00 0.00 58.31 55.87 2aiz n LYS 103 Cb 0.10 -1.41 -0.14 0.00 -0.65 0.00 0.00 35.03 32.94 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 -2.28 3.00 0.00 -5.58 1.43 -0.22 0.06 118.68 115.09 2aiz s LEU 104 Ca 0.17 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2aiz s LEU 104 Cb 0.16 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 2aiz s LEU 104 CO 0.49 -0.01 0.04 0.61 0.23 0.00 0.00 176.35 177.71 2aiz n GLY 105 N 4.76 3.75 3.32 -3.19 0.00 -0.74 -4.87 105.19 108.22 2aiz n GLY 105 Ca -0.18 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.17 0.08 -0.30 2.61 -4.23 -1.26 -2.09 115.64 108.29 2aiz s THR 106 Ca 0.05 -1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 59.24 2aiz s THR 106 Cb 0.00 -1.59 0.18 0.00 1.34 0.00 0.00 72.50 72.43 2aiz s THR 106 CO 0.04 -0.37 1.18 0.68 -0.54 0.00 0.00 174.62 175.60 2aiz s VAL 107 N -3.91 -0.15 0.03 2.29 -7.23 -0.79 -4.88 120.40 105.76 2aiz s VAL 107 Ca 0.11 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.33 2aiz s VAL 107 Cb 0.03 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 2aiz s VAL 107 CO -0.05 0.00 -0.09 -0.94 -0.31 0.00 0.00 175.10 173.72 2aiz s SER 108 N 2.87 4.48 -0.15 4.85 1.04 -1.26 -0.70 113.70 124.84 2aiz s SER 108 Ca -0.06 -0.23 0.16 0.00 0.48 0.00 0.00 55.95 56.30 2aiz s SER 108 Cb -0.08 -0.98 0.33 0.00 0.10 0.00 0.00 66.02 65.39 2aiz s SER 108 CO -0.09 0.26 1.17 -1.22 0.98 0.00 0.00 173.24 174.33 2aiz n TYR 109 N 1.37 0.00 0.00 5.02 4.02 -0.85 -4.84 117.16 121.88 2aiz n TYR 109 Ca -0.15 -1.13 0.00 0.00 -0.01 0.00 0.00 57.90 56.61 2aiz n TYR 109 Cb 0.52 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2aiz n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aiz n GLY 110 N -1.23 0.00 1.47 2.72 0.00 -1.26 0.18 105.19 107.07 2aiz n GLY 110 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 3.66 0.23 1.61 -0.00 -1.26 -3.93 120.64 120.95 2aiz n GLU 111 Ca 0.00 -2.36 -0.15 0.00 -0.00 0.00 0.00 57.16 54.65 2aiz n GLU 111 Cb 0.00 -1.95 -0.08 0.00 -0.00 0.00 0.00 31.44 29.41 2aiz n GLU 111 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2aiz h GLU 112 N 3.15 -0.56 -2.47 3.44 4.81 -0.59 -3.40 114.58 118.96 2aiz h GLU 112 Ca 0.00 0.04 -0.55 0.00 -0.13 0.00 0.00 59.36 58.72 2aiz h GLU 112 Cb 1.46 0.13 -0.38 0.00 0.63 0.00 0.00 28.75 30.59 2aiz h GLU 112 CO 0.30 -0.37 -0.83 0.21 -0.73 0.00 0.00 179.01 177.59 2aiz s LYS 113 N -6.09 0.57 1.08 1.92 2.20 -1.24 -5.09 119.74 113.08 2aiz s LYS 113 Ca -0.16 -1.27 -0.12 0.00 -0.36 0.00 0.00 55.97 54.06 2aiz s LYS 113 Cb 0.05 -1.20 0.24 0.00 -1.51 0.00 0.00 37.83 35.40 2aiz s LYS 113 CO 0.64 -1.21 1.07 -2.14 -0.36 0.00 0.00 175.35 173.34 2aiz s PRO 114 N 1.10 -0.25 -0.03 4.03 0.02 -1.26 -5.02 135.00 133.59 2aiz s PRO 114 Ca 0.18 1.13 -0.08 0.00 0.02 0.00 0.00 61.00 62.25 2aiz s PRO 114 Cb -0.21 -1.61 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 2aiz s PRO 114 CO -0.00 -3.36 -0.16 0.00 -0.33 0.00 0.00 177.00 173.15 2aiz n ALA 115 N -4.70 2.05 -2.57 -1.55 0.00 -1.26 -4.95 120.51 107.54 2aiz n ALA 115 Ca 0.06 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 2aiz n ALA 115 Cb 0.53 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.40 4.61 0.13 0.00 1.01 -1.26 -5.03 120.40 117.46 2aiz s VAL 116 Ca -0.13 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2aiz s VAL 116 Cb 0.02 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 2aiz s VAL 116 CO 0.19 -0.79 1.10 -0.76 0.00 0.00 0.00 175.10 174.84 2aiz s LEU 117 N 3.38 4.46 0.00 3.92 1.43 -1.26 -4.82 118.68 125.78 2aiz s LEU 117 Ca 0.30 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2aiz s LEU 117 Cb -0.12 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2aiz s LEU 117 CO 0.22 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.15 2aiz n GLY 118 N 2.37 -0.91 2.33 -3.19 0.00 -1.26 -4.95 105.19 99.59 2aiz n GLY 118 Ca 0.04 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.61 -0.97 -3.56 1.61 -0.00 -1.26 -4.85 115.22 105.59 2aiz n HIS 119 Ca 0.00 -3.23 -0.07 0.00 0.46 0.00 0.00 57.72 54.89 2aiz n HIS 119 Cb 0.00 0.10 -0.02 0.00 -0.12 0.00 0.00 29.99 29.95 2aiz n HIS 119 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2aiz s ASP 120 N -0.70 -0.29 0.61 0.26 2.15 -1.26 -5.01 116.67 112.43 2aiz s ASP 120 Ca 0.34 -0.07 0.27 0.00 0.43 0.00 0.00 52.55 53.52 2aiz s ASP 120 Cb 0.12 0.36 1.19 0.00 -0.30 0.00 0.00 42.92 44.29 2aiz s ASP 120 CO -0.15 -0.60 1.60 -0.08 -0.17 0.00 0.00 175.17 175.77 2aiz h GLU 121 N 2.00 0.00 0.61 4.34 4.22 -1.99 0.25 114.58 124.01 2aiz h GLU 121 Ca -0.21 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.20 2aiz h GLU 121 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 2aiz h GLU 121 CO 0.29 0.00 -0.29 0.00 -2.18 0.00 0.00 179.01 176.83 2aiz h ALA 122 N 0.97 -0.82 -0.23 2.92 0.00 -1.98 -0.16 119.26 119.97 2aiz h ALA 122 Ca 0.32 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 2aiz h ALA 122 Cb 1.98 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2aiz h ALA 122 CO -0.00 -0.79 -0.63 0.00 0.00 0.00 0.00 179.25 177.83 2aiz h ALA 123 N -1.06 0.38 -0.66 0.00 0.00 -1.47 -2.33 119.26 114.12 2aiz h ALA 123 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2aiz h ALA 123 Cb 0.66 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2aiz h ALA 123 CO 0.14 0.66 0.42 1.88 0.00 0.00 0.00 179.25 182.34 2aiz h TYR 124 N 0.59 0.85 -0.16 0.00 0.05 -0.67 -1.07 116.97 116.56 2aiz h TYR 124 Ca -0.01 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 2aiz h TYR 124 Cb 1.25 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 2aiz h TYR 124 CO 0.08 0.56 -0.35 0.66 -1.05 0.00 0.00 178.16 178.06 2aiz h SER 125 N 0.90 0.35 1.02 3.88 4.64 -1.02 -2.21 113.55 121.10 2aiz h SER 125 Ca 0.24 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 2aiz h SER 125 Cb -0.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2aiz h SER 125 CO -0.05 0.67 -0.17 0.11 -0.87 0.00 0.00 176.83 176.53 2aiz h LYS 126 N 0.29 0.00 0.00 4.77 1.57 -0.80 -3.06 116.57 119.33 2aiz h LYS 126 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 2aiz h LYS 126 Cb 0.75 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 2aiz h LYS 126 CO 0.06 0.17 -1.45 -0.91 -0.57 0.00 0.00 179.45 176.74 2aiz h ASN 127 N 0.00 0.00 -0.61 0.86 2.35 -0.81 -3.43 115.58 113.94 2aiz h ASN 127 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 2aiz h ASN 127 Cb 0.73 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 2aiz h ASN 127 CO 0.02 0.92 0.50 -0.13 -1.65 0.00 0.00 177.43 177.09 2aiz s ARG 128 N -2.68 2.22 0.13 0.81 0.52 -0.87 -2.54 118.95 116.53 2aiz s ARG 128 Ca -0.03 0.00 -0.23 0.00 -0.52 0.00 0.00 55.73 54.96 2aiz s ARG 128 Cb 0.09 -4.95 0.06 0.00 0.52 0.00 0.00 34.95 30.66 2aiz s ARG 128 CO 0.82 -3.75 0.57 -0.98 0.02 0.00 0.00 175.30 171.98 2aiz s ARG 129 N 7.68 1.21 -0.25 3.54 1.70 -0.98 -1.34 118.95 130.51 2aiz s ARG 129 Ca 0.78 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 2aiz s ARG 129 Cb -0.09 0.55 0.07 0.00 -0.57 0.00 0.00 34.95 34.91 2aiz s ARG 129 CO 0.03 -0.50 -0.01 0.00 -1.08 0.00 0.00 175.30 173.74 2aiz s ALA 130 N -3.40 1.81 0.33 7.88 0.00 -0.77 0.15 121.76 127.76 2aiz s ALA 130 Ca -0.00 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 2aiz s ALA 130 Cb -0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 23.12 21.56 2aiz s ALA 130 CO -0.10 -1.29 0.84 0.08 0.00 0.00 0.00 175.76 175.29 2aiz s VAL 131 N 1.47 4.47 -0.53 0.00 1.01 0.34 -2.16 120.40 125.00 2aiz s VAL 131 Ca -0.02 1.36 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 2aiz s VAL 131 Cb -0.18 -3.74 0.13 0.00 0.00 0.00 0.00 36.38 32.59 2aiz s VAL 131 CO -0.09 -0.08 0.49 -0.76 0.00 0.00 0.00 175.10 174.65 2aiz s LEU 132 N -2.65 6.15 -0.03 3.92 2.01 0.44 0.68 118.68 129.20 2aiz s LEU 132 Ca 0.53 -1.80 -0.01 0.00 0.01 0.00 0.00 54.13 52.86 2aiz s LEU 132 Cb -0.13 -2.19 -0.04 0.00 0.01 0.00 0.00 46.19 43.84 2aiz s LEU 132 CO 0.18 -0.85 0.07 0.00 1.01 0.00 0.00 176.35 176.76 2aiz s ALA 133 N 1.58 3.55 -2.00 4.21 0.00 0.23 -4.87 121.76 124.46 2aiz s ALA 133 Ca 0.03 -0.84 0.28 0.00 0.00 0.00 0.00 51.96 51.43 2aiz s ALA 133 Cb -0.30 -1.59 1.67 0.00 0.00 0.00 0.00 23.12 22.90 2aiz s ALA 133 CO 0.03 0.66 2.01 0.66 0.00 0.00 0.00 175.76 179.12