#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 0.00 -3.88 0.00 2.88 -1.26 -4.63 113.62 106.73 2aiz n SER 2 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 2aiz n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2aiz n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2aiz s SER 3 N -3.81 -0.20 -0.05 -3.46 1.04 -1.26 -5.07 113.70 100.87 2aiz s SER 3 Ca 0.00 -0.69 -0.25 0.00 0.48 0.00 0.00 55.95 55.49 2aiz s SER 3 Cb 0.00 0.65 -0.20 0.00 0.10 0.00 0.00 66.02 66.57 2aiz s SER 3 CO 0.00 -1.22 1.06 0.28 0.98 0.00 0.00 173.24 174.34 2aiz h SER 4 N 2.13 -0.05 -3.67 7.02 0.02 -2.12 -3.42 113.55 113.46 2aiz h SER 4 Ca -0.23 -0.55 -0.65 0.00 -0.84 0.00 0.00 61.79 59.52 2aiz h SER 4 Cb 1.25 0.01 -0.39 0.00 0.14 0.00 0.00 62.40 63.42 2aiz h SER 4 CO 0.30 0.55 -0.76 0.54 -1.14 0.00 0.00 176.83 176.33 2aiz s ASN 5 N -5.73 4.45 -0.28 3.07 4.22 -1.26 -5.08 114.94 114.33 2aiz s ASN 5 Ca -0.16 -1.74 0.01 0.00 -2.14 0.00 0.00 52.86 48.84 2aiz s ASN 5 Cb 0.00 -1.45 0.06 0.00 1.28 0.00 0.00 41.25 41.14 2aiz s ASN 5 CO 0.62 -0.31 -0.06 0.21 -2.04 0.00 0.00 177.10 175.52 2aiz s ASN 6 N 1.11 4.62 0.18 3.54 3.84 -1.26 -4.96 114.94 122.02 2aiz s ASN 6 Ca 0.03 -1.42 0.25 0.00 0.21 0.00 0.00 52.86 51.93 2aiz s ASN 6 Cb -0.19 -1.61 0.51 0.00 -0.55 0.00 0.00 41.25 39.41 2aiz s ASN 6 CO -0.09 -0.23 1.50 -2.24 -2.79 0.00 0.00 177.10 173.25 2aiz h ASP 7 N 7.84 0.00 -1.28 -4.21 2.03 -2.01 -3.47 116.42 115.31 2aiz h ASP 7 Ca -0.19 -0.11 -0.35 0.00 -0.73 0.00 0.00 57.03 55.66 2aiz h ASP 7 Cb 1.05 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.44 2aiz h ASP 7 CO 0.49 0.05 -0.35 0.00 -1.03 0.00 0.00 179.24 178.40 2aiz n ALA 8 N -1.85 -0.33 -2.81 4.15 0.00 -1.26 -2.31 120.51 116.10 2aiz n ALA 8 Ca 0.04 0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 2aiz n ALA 8 Cb 0.45 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 0.40 -0.88 -0.13 0.00 0.00 -1.26 -4.59 120.51 114.04 2aiz n ALA 9 Ca -0.18 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2aiz n ALA 9 Cb 0.59 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2aiz n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiz n GLY 10 N -1.06 -0.39 7.00 0.00 0.00 -0.98 -4.55 105.19 105.22 2aiz n GLY 10 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.13 0.00 0.00 1.61 4.13 -1.26 -2.80 115.26 114.81 2aiz n ASN 11 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2aiz n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2aiz n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aiz n GLY 12 N 0.00 -0.13 0.09 7.41 0.00 -1.26 -4.89 105.19 106.40 2aiz n GLY 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.83 0.63 -0.60 4.61 0.00 -1.25 -5.11 120.51 116.95 2aiz n ALA 13 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2aiz n ALA 13 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.57 -2.82 -4.01 0.00 0.00 -1.12 -5.02 120.51 103.96 2aiz n ALA 14 Ca -0.20 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 2aiz n ALA 14 Cb 0.47 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 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 0.08 0.46 -4.28 0.00 6.02 -1.26 -5.07 117.38 113.32 2aiz n GLN 15 Ca 0.00 -2.70 -0.23 0.00 -0.01 0.00 0.00 57.00 54.06 2aiz n GLN 15 Cb 0.00 2.36 -0.12 0.00 1.02 0.00 0.00 30.24 33.50 2aiz n GLN 15 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2aiz s THR 16 N -3.01 1.65 -0.19 5.09 -4.23 -1.26 -4.21 115.64 109.48 2aiz s THR 16 Ca 0.31 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2aiz s THR 16 Cb 0.01 -1.57 0.05 0.00 1.34 0.00 0.00 72.50 72.33 2aiz s THR 16 CO 0.22 -0.15 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.76 2aiz s PHE 17 N -1.43 1.67 0.00 3.99 0.40 0.31 -4.79 117.98 118.14 2aiz s PHE 17 Ca 0.08 -1.19 0.00 0.00 -0.60 0.00 0.00 56.93 55.22 2aiz s PHE 17 Cb -0.09 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.15 2aiz s PHE 17 CO 0.04 -0.65 0.00 0.41 0.70 0.00 0.00 175.22 175.72 2aiz n GLY 18 N 4.88 0.24 0.00 4.36 0.00 -1.26 -3.25 105.19 110.16 2aiz n GLY 18 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.91 1.15 3.55 -0.02 0.00 -1.26 -4.84 105.19 102.86 2aiz n GLY 19 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 1.97 0.09 1.61 2.02 -1.20 -5.07 117.35 116.20 2aiz s TYR 20 Ca 0.00 -1.02 0.02 0.00 -0.37 0.00 0.00 57.07 55.70 2aiz s TYR 20 Cb 0.00 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2aiz s TYR 20 CO 0.00 0.01 0.19 0.45 -1.57 0.00 0.00 175.55 174.63 2aiz s SER 21 N -3.62 6.07 0.44 2.29 0.15 -1.26 0.11 113.70 117.88 2aiz s SER 21 Ca 0.27 0.14 0.27 0.00 0.70 0.00 0.00 55.95 57.34 2aiz s SER 21 Cb 0.06 -1.78 1.34 0.00 -1.71 0.00 0.00 66.02 63.93 2aiz s SER 21 CO 0.13 0.14 1.68 0.58 1.20 0.00 0.00 173.24 176.97 2aiz h VAL 22 N 2.10 0.26 0.00 4.45 2.07 -1.87 0.74 116.25 124.00 2aiz h VAL 22 Ca -0.46 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2aiz h VAL 22 Cb 1.17 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2aiz h VAL 22 CO 0.71 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.33 2aiz n ALA 23 N -2.53 1.26 -0.12 1.67 0.00 -1.26 -1.14 120.51 118.38 2aiz n ALA 23 Ca 0.33 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2aiz n ALA 23 Cb 1.27 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 2aiz n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aiz n ASP 24 N -1.98 1.98 0.29 0.00 9.92 0.25 -2.00 116.55 125.02 2aiz n ASP 24 Ca 0.00 0.11 0.18 0.00 -0.53 0.00 0.00 54.79 54.56 2aiz n ASP 24 Cb 0.09 -0.65 0.99 0.00 -0.64 0.00 0.00 41.12 40.91 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2aiz h LEU 25 N -0.43 0.00 0.00 0.64 3.38 -1.19 1.86 115.31 119.56 2aiz h LEU 25 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2aiz h LEU 25 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2aiz h LEU 25 CO -0.20 0.00 -1.33 0.00 0.09 0.00 0.00 178.44 177.00 2aiz n GLN 26 N -3.54 0.58 0.00 1.13 10.64 -0.29 -4.45 117.38 121.45 2aiz n GLN 26 Ca -0.02 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 2aiz n GLN 26 Cb 0.15 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 2aiz n GLN 26 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2aiz n GLN 27 N -1.76 2.30 -3.15 2.61 7.27 -0.85 -4.93 117.38 118.88 2aiz n GLN 27 Ca -0.01 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.88 2aiz n GLN 27 Cb 0.22 -0.87 -0.02 0.00 2.41 0.00 0.00 30.24 31.98 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2aiz n ARG 28 N -1.75 0.98 0.00 3.69 5.12 0.31 -4.95 116.66 120.05 2aiz n ARG 28 Ca 0.00 -3.26 0.00 0.00 -1.93 0.00 0.00 57.85 52.66 2aiz n ARG 28 Cb 0.37 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 2aiz n ARG 28 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2aiz n TYR 29 N 0.28 0.00 0.00 -1.55 4.02 0.55 -4.55 117.16 115.92 2aiz n TYR 29 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 2aiz n TYR 29 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 2aiz n TYR 29 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2aiz n ASN 30 N 0.00 0.00 -4.18 7.72 2.04 -1.26 -3.63 115.26 115.95 2aiz n ASN 30 Ca 0.00 0.00 -0.32 0.00 -0.44 0.00 0.00 54.58 53.82 2aiz n ASN 30 Cb 0.00 0.00 -0.17 0.00 -2.53 0.00 0.00 39.78 37.08 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 2.02 0.01 5.53 2.01 -1.26 0.14 115.64 124.08 2aiz s THR 31 Ca 0.00 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.05 2aiz s THR 31 Cb 0.00 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2aiz s THR 31 CO 0.00 0.54 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.78 2aiz s VAL 32 N 0.66 4.10 -0.22 3.82 1.01 -0.97 -4.97 120.40 123.84 2aiz s VAL 32 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2aiz s VAL 32 Cb -0.16 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.41 2aiz s VAL 32 CO 0.02 0.34 -0.15 -0.31 0.00 0.00 0.00 175.10 175.01 2aiz s TYR 33 N -1.11 3.02 0.47 5.22 1.51 -1.26 -1.49 117.35 123.71 2aiz s TYR 33 Ca 0.20 -1.93 0.04 0.00 -1.01 0.00 0.00 57.07 54.37 2aiz s TYR 33 Cb -0.11 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 2aiz s TYR 33 CO 0.11 -0.83 0.66 -0.06 -1.11 0.00 0.00 175.55 174.32 2aiz s PHE 34 N 1.21 2.95 0.11 2.71 0.08 -0.55 -4.89 117.98 119.61 2aiz s PHE 34 Ca -0.02 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.95 2aiz s PHE 34 Cb -0.16 -2.46 0.02 0.00 -0.57 0.00 0.00 43.02 39.84 2aiz s PHE 34 CO -0.09 -0.53 0.14 0.41 -0.10 0.00 0.00 175.22 175.05 2aiz n GLY 35 N -2.06 2.10 3.64 4.36 0.00 -1.26 -4.68 105.19 107.28 2aiz n GLY 35 Ca 0.06 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 0.18 1.39 -1.42 1.61 5.36 -1.26 -1.98 117.98 121.85 2aiz s PHE 36 Ca 0.11 -0.01 -0.09 0.00 -0.96 0.00 0.00 56.93 55.98 2aiz s PHE 36 Cb -0.01 -4.10 0.03 0.00 -0.34 0.00 0.00 43.02 38.60 2aiz s PHE 36 CO 0.07 -4.71 1.05 -0.25 -1.46 0.00 0.00 175.22 169.91 2aiz n ASP 37 N 8.83 -5.99 -4.47 6.13 8.00 -1.26 -4.99 116.55 122.81 2aiz n ASP 37 Ca 0.22 -0.55 -0.33 0.00 0.71 0.00 0.00 54.79 54.84 2aiz n ASP 37 Cb 0.43 -4.74 -0.13 0.00 -0.02 0.00 0.00 41.12 36.66 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2aiz s LYS 38 N -6.29 2.91 -0.42 -1.24 2.47 -0.84 -5.04 119.74 111.30 2aiz s LYS 38 Ca 0.56 -0.65 0.10 0.00 -1.56 0.00 0.00 55.97 54.43 2aiz s LYS 38 Cb -0.26 -2.54 0.40 0.00 -1.46 0.00 0.00 37.83 33.97 2aiz s LYS 38 CO 0.69 0.48 0.94 2.48 0.16 0.00 0.00 175.35 180.10 2aiz n TYR 39 N 2.76 2.16 -3.78 4.03 4.11 -1.26 -4.53 117.16 120.64 2aiz n TYR 39 Ca -0.18 -3.39 -0.13 0.00 -0.00 0.00 0.00 57.90 54.21 2aiz n TYR 39 Cb 0.52 -0.33 -0.09 0.00 -0.00 0.00 0.00 39.34 39.44 2aiz n TYR 39 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2aiz s ASP 40 N -3.15 -0.14 0.33 9.48 -1.08 -1.26 -4.83 116.67 116.03 2aiz s ASP 40 Ca 0.40 -0.01 0.03 0.00 -0.52 0.00 0.00 52.55 52.45 2aiz s ASP 40 Cb 0.38 0.29 -0.02 0.00 -1.46 0.00 0.00 42.92 42.11 2aiz s ASP 40 CO -0.09 -0.45 0.50 -0.63 0.52 0.00 0.00 175.17 175.02 2aiz s ILE 41 N -1.49 4.81 0.07 4.11 1.09 -1.26 -4.82 121.20 123.71 2aiz s ILE 41 Ca -0.13 -0.71 0.06 0.00 -1.10 0.00 0.00 60.65 58.77 2aiz s ILE 41 Cb -0.05 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 2aiz s ILE 41 CO 0.03 -0.39 -0.10 0.42 -0.10 0.00 0.00 174.94 174.80 2aiz s THR 42 N -2.23 3.38 0.54 2.92 -4.23 -1.26 -5.00 115.64 109.76 2aiz s THR 42 Ca 0.40 -1.12 0.40 0.00 -1.18 0.00 0.00 61.69 60.20 2aiz s THR 42 Cb -0.09 -2.53 0.61 0.00 1.34 0.00 0.00 72.50 71.82 2aiz s THR 42 CO 0.33 0.22 1.74 1.23 -0.54 0.00 0.00 174.62 177.60 2aiz h GLY 43 N 3.98 0.03 1.63 3.99 0.00 -1.99 0.50 103.07 111.21 2aiz h GLY 43 Ca -0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2aiz h GLY 43 CO 0.52 -0.01 0.08 -2.09 0.00 0.00 0.00 176.54 175.04 2aiz h GLU 44 N 0.01 0.48 -0.21 4.80 4.81 -2.03 -2.58 114.58 119.85 2aiz h GLU 44 Ca 0.68 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.83 2aiz h GLU 44 Cb 2.70 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.99 2aiz h GLU 44 CO -0.02 0.45 0.00 0.66 -0.73 0.00 0.00 179.01 179.37 2aiz n TYR 45 N -4.36 0.26 -0.14 0.92 4.01 0.17 -4.50 117.16 113.52 2aiz n TYR 45 Ca 0.02 -0.17 -0.12 0.00 -0.16 0.00 0.00 57.90 57.47 2aiz n TYR 45 Cb 0.18 -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 3.56 1.28 -1.12 -0.72 2.07 -0.91 -3.12 116.25 117.29 2aiz h VAL 46 Ca 0.00 -1.38 0.31 0.00 0.82 0.00 0.00 66.70 66.45 2aiz h VAL 46 Cb 0.81 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 2aiz h VAL 46 CO 0.00 0.46 0.74 0.06 0.02 0.00 0.00 177.57 178.85 2aiz h GLN 47 N 0.70 0.26 -0.24 1.57 -0.00 -1.79 0.16 115.11 115.77 2aiz h GLN 47 Ca 0.09 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 2aiz h GLN 47 Cb 0.79 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.21 2aiz h GLN 47 CO 0.07 0.17 0.06 0.82 -0.00 0.00 0.00 178.83 179.95 2aiz h ILE 48 N 0.26 1.20 -0.38 1.86 2.04 -1.87 -1.09 117.51 119.54 2aiz h ILE 48 Ca 0.63 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2aiz h ILE 48 Cb 1.85 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 2aiz h ILE 48 CO -0.26 0.21 0.14 -0.07 0.00 0.00 0.00 178.15 178.17 2aiz h LEU 49 N 0.21 0.17 -1.00 1.44 4.07 -0.81 0.85 115.31 120.24 2aiz h LEU 49 Ca 0.07 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 2aiz h LEU 49 Cb 0.26 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2aiz h LEU 49 CO -0.00 0.13 -0.29 -2.24 -1.08 0.00 0.00 178.44 174.96 2aiz h ASP 50 N 0.31 0.37 0.11 -0.43 3.04 -1.36 0.30 116.42 118.76 2aiz h ASP 50 Ca 0.17 -0.13 -0.27 0.00 -3.24 0.00 0.00 57.03 53.56 2aiz h ASP 50 Cb 0.14 -0.10 0.03 0.00 -1.04 0.00 0.00 39.33 38.36 2aiz h ASP 50 CO -0.17 0.65 -1.13 0.00 -2.04 0.00 0.00 179.24 176.55 2aiz h ALA 51 N 1.38 -0.02 -0.63 4.15 0.00 -0.55 -2.39 119.26 121.21 2aiz h ALA 51 Ca 0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 2aiz h ALA 51 Cb 0.68 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2aiz h ALA 51 CO 0.05 0.61 0.15 0.45 0.00 0.00 0.00 179.25 180.51 2aiz h HIS 52 N 0.16 1.03 -0.53 0.00 3.86 0.79 -2.35 115.15 118.10 2aiz h HIS 52 Ca -0.17 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 58.84 2aiz h HIS 52 Cb 1.83 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 29.98 2aiz h HIS 52 CO 0.13 0.85 -0.02 0.00 0.86 0.00 0.00 177.93 179.75 2aiz h ALA 53 N 1.22 0.97 -0.80 2.45 0.00 -0.96 0.54 119.26 122.68 2aiz h ALA 53 Ca 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2aiz h ALA 53 Cb 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2aiz h ALA 53 CO 0.00 0.62 0.37 0.00 0.00 0.00 0.00 179.25 180.25 2aiz h ALA 54 N 1.14 1.03 0.09 0.00 0.00 -1.00 0.55 119.26 121.07 2aiz h ALA 54 Ca 0.15 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2aiz h ALA 54 Cb 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2aiz h ALA 54 CO 0.03 0.61 -1.16 -0.92 0.00 0.00 0.00 179.25 177.81 2aiz h TYR 55 N 1.14 0.45 -0.52 0.00 3.20 -1.14 -2.13 116.97 117.97 2aiz h TYR 55 Ca 0.27 -0.31 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 2aiz h TYR 55 Cb 0.14 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2aiz h TYR 55 CO 0.01 1.22 -0.03 1.25 -1.64 0.00 0.00 178.16 178.97 2aiz h LEU 56 N 0.09 0.92 -0.25 2.82 5.85 0.36 -2.55 115.31 122.56 2aiz h LEU 56 Ca -0.11 -0.32 -0.21 0.00 0.84 0.00 0.00 57.88 58.08 2aiz h LEU 56 Cb 1.87 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 2aiz h LEU 56 CO 0.19 1.02 -0.89 -1.13 -0.34 0.00 0.00 178.44 177.29 2aiz h ASN 57 N 0.80 0.42 0.30 1.25 -1.24 -0.98 -3.16 115.58 112.98 2aiz h ASN 57 Ca 0.14 -0.33 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 2aiz h ASN 57 Cb 0.57 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.48 2aiz h ASN 57 CO 0.03 1.12 -0.10 0.00 -1.29 0.00 0.00 177.43 177.20 2aiz h ALA 58 N 0.85 1.33 -3.19 1.57 0.00 -1.25 -3.39 119.26 115.19 2aiz h ALA 58 Ca -0.06 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.09 2aiz h ALA 58 Cb 1.51 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.99 2aiz h ALA 58 CO 0.15 0.12 -0.70 0.95 0.00 0.00 0.00 179.25 179.77 2aiz s THR 59 N -4.28 3.29 0.08 0.00 -4.23 -0.97 -5.03 115.64 104.50 2aiz s THR 59 Ca -0.03 -0.92 -0.23 0.00 -1.18 0.00 0.00 61.69 59.33 2aiz s THR 59 Cb 0.13 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 2aiz s THR 59 CO 0.58 0.14 1.38 -0.65 -0.54 0.00 0.00 174.62 175.53 2aiz h PRO 60 N 8.09 -0.41 -0.80 3.99 0.11 -1.80 -2.25 132.00 138.94 2aiz h PRO 60 Ca -0.32 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2aiz h PRO 60 Cb 1.11 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aiz h PRO 60 CO 0.58 -0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 2aiz n ALA 61 N -2.86 2.89 -2.60 -0.75 0.00 -1.26 -4.83 120.51 111.10 2aiz n ALA 61 Ca -0.04 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.39 2aiz n ALA 61 Cb 0.26 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.57 3.38 -0.13 0.00 0.00 -0.85 -5.02 121.76 117.56 2aiz s ALA 62 Ca 0.17 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.61 2aiz s ALA 62 Cb 0.13 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2aiz s ALA 62 CO 0.06 -1.68 -0.15 0.15 0.00 0.00 0.00 175.76 174.14 2aiz s LYS 63 N 3.49 3.29 -0.05 0.00 1.02 -1.26 -4.79 119.74 121.44 2aiz s LYS 63 Ca 0.37 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.52 2aiz s LYS 63 Cb -0.12 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2aiz s LYS 63 CO 0.20 0.14 0.29 0.54 -0.92 0.00 0.00 175.35 175.60 2aiz s VAL 64 N 0.51 5.24 -0.39 3.17 0.11 0.97 -4.83 120.40 125.18 2aiz s VAL 64 Ca -0.10 0.57 -0.04 0.00 -2.93 0.00 0.00 61.98 59.48 2aiz s VAL 64 Cb -0.16 -3.58 0.09 0.00 -1.53 0.00 0.00 36.38 31.20 2aiz s VAL 64 CO 0.04 0.60 0.17 -0.22 -3.33 0.00 0.00 175.10 172.36 2aiz s LEU 65 N -1.06 4.93 -0.56 2.54 0.20 0.38 0.12 118.68 125.23 2aiz s LEU 65 Ca 0.20 -1.77 -0.27 0.00 0.69 0.00 0.00 54.13 52.98 2aiz s LEU 65 Cb -0.15 -1.83 0.03 0.00 -0.43 0.00 0.00 46.19 43.82 2aiz s LEU 65 CO 0.09 -0.48 1.13 -0.69 -0.29 0.00 0.00 176.35 176.12 2aiz s VAL 66 N 1.21 4.12 -0.27 1.68 1.01 0.30 0.15 120.40 128.60 2aiz s VAL 66 Ca 0.04 0.79 -0.20 0.00 0.00 0.00 0.00 61.98 62.61 2aiz s VAL 66 Cb -0.22 -4.67 -0.02 0.00 0.00 0.00 0.00 36.38 31.47 2aiz s VAL 66 CO -0.02 -1.26 0.63 -1.61 0.00 0.00 0.00 175.10 172.84 2aiz s GLU 67 N 4.68 4.06 0.00 2.72 2.02 -0.84 -1.83 118.70 129.52 2aiz s GLU 67 Ca 0.41 0.49 -0.22 0.00 0.02 0.00 0.00 54.97 55.66 2aiz s GLU 67 Cb -0.08 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2aiz s GLU 67 CO 0.25 -0.46 0.64 0.20 0.02 0.00 0.00 175.26 175.92 2aiz s GLY 68 N 1.52 2.66 0.11 -1.39 0.00 0.32 -0.30 107.32 110.23 2aiz s GLY 68 Ca 0.26 0.10 0.03 0.00 0.00 0.00 0.00 44.72 45.10 2aiz s GLY 68 CO 0.09 0.87 -0.08 -1.31 0.00 0.00 0.00 173.10 172.67 2aiz s ASN 69 N -0.09 1.30 0.22 1.64 0.02 0.30 -1.98 114.94 116.34 2aiz s ASN 69 Ca 0.33 -0.96 -0.14 0.00 -1.02 0.00 0.00 52.86 51.07 2aiz s ASN 69 Cb -0.19 0.06 0.05 0.00 0.02 0.00 0.00 41.25 41.20 2aiz s ASN 69 CO 0.19 -0.40 0.71 0.35 0.02 0.00 0.00 177.10 177.96 2aiz n THR 70 N 0.06 0.00 -1.92 1.60 -2.24 -0.75 -2.37 114.28 108.67 2aiz n THR 70 Ca -0.13 -0.59 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 2aiz n THR 70 Cb 0.60 0.68 0.02 0.00 -2.10 0.00 0.00 70.33 69.53 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 -2.74 5.59 0.33 3.42 -4.77 -1.26 -4.54 116.67 112.70 2aiz s ASP 71 Ca 0.15 1.82 0.04 0.00 -3.30 0.00 0.00 52.55 51.25 2aiz s ASP 71 Cb -0.03 -2.53 0.59 0.00 -1.09 0.00 0.00 42.92 39.86 2aiz s ASP 71 CO 0.07 -1.30 1.89 1.05 0.70 0.00 0.00 175.17 177.58 2aiz h GLU 72 N 0.18 0.58 -6.11 2.11 -0.00 -1.89 -3.35 114.58 106.10 2aiz h GLU 72 Ca -0.46 -0.11 -0.52 0.00 -0.00 0.00 0.00 59.36 58.27 2aiz h GLU 72 Cb 1.22 -0.09 0.25 0.00 -0.00 0.00 0.00 28.75 30.13 2aiz h GLU 72 CO 0.57 0.57 -2.10 0.54 -0.00 0.00 0.00 179.01 178.58 2aiz n ARG 73 N -4.30 -0.15 0.00 1.06 5.12 -1.26 -4.48 116.66 112.65 2aiz n ARG 73 Ca 0.02 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2aiz n ARG 73 Cb 0.22 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 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 3.25 1.58 3.58 -0.13 0.00 -1.26 -4.84 105.19 107.37 2aiz n GLY 74 Ca -0.01 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 0.24 2.61 -4.23 -1.26 -5.02 115.64 107.97 2aiz s THR 75 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 2aiz s THR 75 Cb 0.00 -1.00 0.29 0.00 1.34 0.00 0.00 72.50 73.13 2aiz s THR 75 CO 0.00 0.00 1.52 -0.81 -0.54 0.00 0.00 174.62 174.79 2aiz n PRO 76 N 1.57 -0.20 -0.33 3.99 -0.04 -1.26 0.11 135.00 138.84 2aiz n PRO 76 Ca -0.14 1.51 -0.03 0.00 -0.04 0.00 0.00 63.50 64.80 2aiz n PRO 76 Cb 0.56 -2.25 0.09 0.00 -0.04 0.00 0.00 33.50 31.86 2aiz n PRO 76 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2aiz h GLU 77 N 0.00 1.21 -0.12 0.54 4.22 -1.97 0.74 114.58 119.20 2aiz h GLU 77 Ca 0.37 -0.10 -0.17 0.00 0.08 0.00 0.00 59.36 59.54 2aiz h GLU 77 Cb 0.62 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2aiz h GLU 77 CO -0.98 0.84 -0.64 -0.92 -2.18 0.00 0.00 179.01 175.12 2aiz h TYR 78 N 1.23 0.57 0.00 0.92 3.20 -0.66 -2.67 116.97 119.55 2aiz h TYR 78 Ca 0.32 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2aiz h TYR 78 Cb -0.07 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.10 2aiz h TYR 78 CO -0.00 0.96 0.00 0.09 -1.64 0.00 0.00 178.16 177.57 2aiz n ASN 79 N -3.89 0.00 -0.17 -2.11 4.13 0.31 -2.00 115.26 111.53 2aiz n ASN 79 Ca -0.04 0.23 0.12 0.00 1.68 0.00 0.00 54.58 56.57 2aiz n ASN 79 Cb 0.65 -0.16 0.22 0.00 -1.54 0.00 0.00 39.78 38.96 2aiz n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2aiz n ILE 80 N -0.97 -0.21 0.26 2.41 0.13 0.25 0.78 119.36 122.02 2aiz n ILE 80 Ca 0.00 1.06 -0.11 0.00 -1.10 0.00 0.00 62.75 62.60 2aiz n ILE 80 Cb 0.00 -1.64 -0.05 0.00 -0.84 0.00 0.00 39.64 37.11 2aiz n ILE 80 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2aiz h ALA 81 N 1.00 -0.75 -0.89 1.51 0.00 -1.59 0.59 119.26 119.12 2aiz h ALA 81 Ca 0.36 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2aiz h ALA 81 Cb 0.87 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2aiz h ALA 81 CO -0.43 -0.70 0.58 1.37 0.00 0.00 0.00 179.25 180.07 2aiz h LEU 82 N -1.12 0.88 0.06 0.00 -0.00 0.55 -1.18 115.31 114.49 2aiz h LEU 82 Ca -0.07 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2aiz h LEU 82 Cb 0.54 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2aiz h LEU 82 CO 0.12 0.55 -0.03 1.23 -0.00 0.00 0.00 178.44 180.32 2aiz h GLY 83 N 0.99 -0.08 -0.35 0.17 0.00 0.34 -2.71 103.07 101.43 2aiz h GLY 83 Ca 0.39 0.03 0.29 0.00 0.00 0.00 0.00 47.33 48.04 2aiz h GLY 83 CO -0.15 -0.03 0.61 1.46 0.00 0.00 0.00 176.54 178.43 2aiz h GLN 84 N -0.50 0.41 -0.36 4.80 4.20 0.74 1.01 115.11 125.42 2aiz h GLN 84 Ca -0.01 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2aiz h GLN 84 Cb 0.44 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2aiz h GLN 84 CO 0.01 0.27 0.23 -0.09 -0.67 0.00 0.00 178.83 178.59 2aiz h ARG 85 N 0.43 0.46 -0.78 1.46 2.43 -1.04 0.38 114.38 117.72 2aiz h ARG 85 Ca 0.68 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.88 2aiz h ARG 85 Cb 1.52 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.91 2aiz h ARG 85 CO -0.50 0.30 0.47 0.00 -1.51 0.00 0.00 179.97 178.74 2aiz h ARG 86 N 0.47 0.85 -0.75 0.20 3.08 0.12 0.18 114.38 118.53 2aiz h ARG 86 Ca 0.14 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.15 2aiz h ARG 86 Cb -0.04 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 2aiz h ARG 86 CO -0.04 0.56 0.50 0.00 -1.07 0.00 0.00 179.97 179.92 2aiz h ALA 87 N 1.37 1.47 -0.17 0.04 0.00 0.41 0.93 119.26 123.32 2aiz h ALA 87 Ca 0.34 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2aiz h ALA 87 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2aiz h ALA 87 CO -0.17 0.49 -0.14 -0.44 0.00 0.00 0.00 179.25 178.99 2aiz h ASP 88 N 1.01 0.26 -0.22 0.00 3.32 0.25 0.25 116.42 121.29 2aiz h ASP 88 Ca 0.28 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2aiz h ASP 88 Cb -0.10 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2aiz h ASP 88 CO -0.06 0.42 0.12 0.00 -1.72 0.00 0.00 179.24 178.00 2aiz h ALA 89 N 1.61 0.28 0.00 3.45 0.00 0.13 0.58 119.26 125.31 2aiz h ALA 89 Ca 0.05 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2aiz h ALA 89 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2aiz h ALA 89 CO 0.02 -0.19 -0.92 0.28 0.00 0.00 0.00 179.25 178.45 2aiz h VAL 90 N 0.25 1.44 -0.49 0.00 2.07 -1.14 -1.91 116.25 116.46 2aiz h VAL 90 Ca 0.08 -2.51 -0.11 0.00 0.82 0.00 0.00 66.70 64.98 2aiz h VAL 90 Cb 0.07 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2aiz h VAL 90 CO -0.01 0.74 -0.12 0.07 0.02 0.00 0.00 177.57 178.28 2aiz h LYS 91 N 0.18 0.92 0.00 1.57 5.09 -0.82 -1.44 116.57 122.07 2aiz h LYS 91 Ca -0.07 -0.33 -0.16 0.00 0.09 0.00 0.00 60.65 60.19 2aiz h LYS 91 Cb 1.56 -0.06 -0.02 0.00 0.10 0.00 0.00 32.23 33.80 2aiz h LYS 91 CO 0.15 0.98 -0.76 0.78 -2.09 0.00 0.00 179.45 178.52 2aiz h GLY 92 N 0.96 0.00 0.86 0.07 0.00 -0.91 -2.12 103.07 101.93 2aiz h GLY 92 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2aiz h GLY 92 CO 0.05 0.00 -0.16 -1.82 0.00 0.00 0.00 176.54 174.61 2aiz h TYR 93 N 0.00 -0.41 -0.05 5.60 5.03 -1.04 0.77 116.97 126.87 2aiz h TYR 93 Ca -0.01 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.31 2aiz h TYR 93 Cb 1.38 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.79 2aiz h TYR 93 CO 0.00 -0.16 0.04 -0.07 -1.32 0.00 0.00 178.16 176.64 2aiz h LEU 94 N -0.58 0.00 -0.32 2.82 3.38 -1.29 0.77 115.31 120.09 2aiz h LEU 94 Ca -0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 2aiz h LEU 94 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2aiz h LEU 94 CO 0.07 0.00 -0.76 0.00 0.09 0.00 0.00 178.44 177.85 2aiz h ALA 95 N 1.97 0.49 0.02 1.53 0.00 -0.60 -2.38 119.26 120.30 2aiz h ALA 95 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.34 2aiz h ALA 95 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2aiz h ALA 95 CO -0.00 0.74 -0.10 0.78 0.00 0.00 0.00 179.25 180.67 2aiz h GLY 96 N 1.05 -0.13 -0.09 0.00 0.00 0.30 -1.10 103.07 103.10 2aiz h GLY 96 Ca -0.04 0.11 0.27 0.00 0.00 0.00 0.00 47.33 47.67 2aiz h GLY 96 CO 0.14 -0.10 0.69 0.07 0.00 0.00 0.00 176.54 177.33 2aiz h LYS 97 N -0.18 0.30 0.00 4.80 -0.00 -1.54 -3.44 116.57 116.51 2aiz h LYS 97 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 2aiz h LYS 97 Cb 0.21 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.37 2aiz h LYS 97 CO -0.08 0.20 0.00 0.41 -0.00 0.00 0.00 179.45 179.98 2aiz n GLY 98 N -1.54 1.91 3.85 0.07 0.00 -0.42 -5.14 105.19 103.92 2aiz n GLY 98 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.91 4.89 0.91 1.61 1.01 -0.90 -5.03 120.40 120.99 2aiz s VAL 99 Ca 0.00 0.74 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 2aiz s VAL 99 Cb 0.00 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.81 2aiz s VAL 99 CO 0.00 0.20 1.14 -0.62 0.00 0.00 0.00 175.10 175.82 2aiz s ASP 100 N -1.81 2.99 -0.07 3.32 2.15 -1.26 -4.40 116.67 117.59 2aiz s ASP 100 Ca 0.39 2.12 0.08 0.00 0.43 0.00 0.00 52.55 55.57 2aiz s ASP 100 Cb -0.14 -2.55 -0.24 0.00 -0.30 0.00 0.00 42.92 39.69 2aiz s ASP 100 CO 0.19 -3.05 0.56 0.00 -0.17 0.00 0.00 175.17 172.71 2aiz n ALA 101 N -4.19 1.35 0.31 3.66 0.00 -1.26 -3.91 120.51 116.46 2aiz n ALA 101 Ca 0.11 -0.75 0.19 0.00 0.00 0.00 0.00 53.44 53.00 2aiz n ALA 101 Cb 0.52 -0.78 1.04 0.00 0.00 0.00 0.00 19.45 20.23 2aiz n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aiz h GLY 102 N 2.93 0.00 -0.93 0.00 0.00 -2.01 0.23 103.07 103.29 2aiz h GLY 102 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2aiz h GLY 102 CO 0.08 0.00 -0.44 0.58 0.00 0.00 0.00 176.54 176.76 2aiz n LYS 103 N -3.27 1.23 -3.10 4.80 2.85 -1.26 -4.94 118.16 114.47 2aiz n LYS 103 Ca -0.02 -1.00 -0.32 0.00 -1.05 0.00 0.00 58.31 55.92 2aiz n LYS 103 Cb 0.18 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 33.02 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 -2.46 4.03 -0.09 -5.58 1.43 0.82 -0.02 118.68 116.81 2aiz s LEU 104 Ca 0.19 1.27 -0.09 0.00 -1.03 0.00 0.00 54.13 54.48 2aiz s LEU 104 Cb 0.18 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 42.35 2aiz s LEU 104 CO 0.56 -0.23 0.25 -0.83 0.23 0.00 0.00 176.35 176.32 2aiz s GLY 105 N -2.37 -0.19 0.02 -3.19 0.00 0.12 -4.86 107.32 96.86 2aiz s GLY 105 Ca 0.54 0.71 -0.02 0.00 0.00 0.00 0.00 44.72 45.95 2aiz s GLY 105 CO 0.19 0.63 0.02 -0.51 0.00 0.00 0.00 173.10 173.43 2aiz s THR 106 N 0.17 0.11 0.16 0.90 -4.23 -1.26 0.11 115.64 111.60 2aiz s THR 106 Ca -0.00 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.32 2aiz s THR 106 Cb -0.02 -0.46 0.07 0.00 1.34 0.00 0.00 72.50 73.43 2aiz s THR 106 CO 0.00 -0.52 0.98 0.68 -0.54 0.00 0.00 174.62 175.22 2aiz s VAL 107 N -1.74 0.00 -0.25 2.29 -7.23 -0.76 -4.92 120.40 107.79 2aiz s VAL 107 Ca -0.13 -0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 59.26 2aiz s VAL 107 Cb -0.07 -2.10 0.09 0.00 0.56 0.00 0.00 36.38 34.86 2aiz s VAL 107 CO -0.01 0.00 0.59 -0.55 -0.31 0.00 0.00 175.10 174.82 2aiz s SER 108 N -2.99 -0.83 -0.13 4.85 0.15 -1.26 0.12 113.70 113.61 2aiz s SER 108 Ca 0.13 1.34 0.16 0.00 0.70 0.00 0.00 55.95 58.29 2aiz s SER 108 Cb -0.01 1.44 0.37 0.00 -1.71 0.00 0.00 66.02 66.11 2aiz s SER 108 CO 0.03 -0.23 1.26 -1.22 1.20 0.00 0.00 173.24 174.28 2aiz n TYR 109 N 4.65 0.44 0.00 3.44 4.01 -0.84 -4.85 117.16 124.01 2aiz n TYR 109 Ca -0.18 -0.87 0.00 0.00 -0.16 0.00 0.00 57.90 56.69 2aiz n TYR 109 Cb 0.55 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.83 0.00 0.29 2.72 0.00 -1.26 -0.77 105.19 105.33 2aiz n GLY 110 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 1.38 0.31 1.61 -0.00 -1.26 -4.16 120.64 118.52 2aiz n GLU 111 Ca 0.00 -0.57 -0.17 0.00 -0.00 0.00 0.00 57.16 56.42 2aiz n GLU 111 Cb 0.00 -1.40 -0.08 0.00 -0.00 0.00 0.00 31.44 29.95 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 1.24 -0.83 -2.01 3.44 4.81 -1.32 -3.40 114.58 116.50 2aiz h GLU 112 Ca 0.00 0.06 -0.41 0.00 -0.13 0.00 0.00 59.36 58.88 2aiz h GLU 112 Cb 0.27 0.19 -0.32 0.00 0.63 0.00 0.00 28.75 29.52 2aiz h GLU 112 CO 0.00 -0.56 -0.73 0.15 -0.73 0.00 0.00 179.01 177.15 2aiz s LYS 113 N -6.01 0.69 0.97 1.92 -0.14 -1.10 -5.15 119.74 110.92 2aiz s LYS 113 Ca -0.17 -1.09 -0.13 0.00 -1.36 0.00 0.00 55.97 53.21 2aiz s LYS 113 Cb 0.04 -0.83 0.17 0.00 -1.68 0.00 0.00 37.83 35.54 2aiz s LYS 113 CO 0.62 -1.23 1.12 -2.14 -0.76 0.00 0.00 175.35 172.96 2aiz s PRO 114 N 1.17 0.63 -0.17 -1.68 0.02 -1.26 -4.95 135.00 128.76 2aiz s PRO 114 Ca 0.20 0.32 -0.14 0.00 0.02 0.00 0.00 61.00 61.40 2aiz s PRO 114 Cb -0.13 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 2aiz s PRO 114 CO -0.04 -2.55 -0.29 0.00 -0.33 0.00 0.00 177.00 173.79 2aiz n ALA 115 N -4.01 1.35 -2.31 -1.55 0.00 -1.26 -4.98 120.51 107.75 2aiz n ALA 115 Ca 0.07 -0.77 -0.39 0.00 0.00 0.00 0.00 53.44 52.35 2aiz n ALA 115 Cb 0.59 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 2aiz n ALA 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2aiz s VAL 116 N -2.62 4.75 -0.08 0.00 0.11 -1.26 -5.07 120.40 116.23 2aiz s VAL 116 Ca -0.27 1.27 -0.10 0.00 -2.93 0.00 0.00 61.98 59.94 2aiz s VAL 116 Cb 0.07 -3.93 -0.05 0.00 -1.53 0.00 0.00 36.38 30.94 2aiz s VAL 116 CO 0.38 0.51 0.24 -0.76 -3.33 0.00 0.00 175.10 172.14 2aiz s LEU 117 N -0.86 4.41 0.00 2.54 1.43 -1.26 -4.96 118.68 119.98 2aiz s LEU 117 Ca 0.30 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 2aiz s LEU 117 Cb -0.19 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2aiz s LEU 117 CO 0.19 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.74 2aiz n GLY 118 N 2.01 1.40 2.22 -3.19 0.00 -1.26 -4.89 105.19 101.48 2aiz n GLY 118 Ca -0.17 -2.27 -0.19 0.00 0.00 0.00 0.00 46.02 43.38 2aiz n GLY 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2aiz n HIS 119 N -1.01 -0.14 -4.17 1.61 1.44 -1.26 -4.66 115.22 107.02 2aiz n HIS 119 Ca 0.00 -3.65 -0.15 0.00 -2.01 0.00 0.00 57.72 51.91 2aiz n HIS 119 Cb 0.00 -0.29 -0.11 0.00 0.12 0.00 0.00 29.99 29.71 2aiz n HIS 119 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 2aiz s ASP 120 N -2.02 1.46 0.60 4.39 1.47 -1.26 -4.91 116.67 116.38 2aiz s ASP 120 Ca 0.38 -0.80 0.31 0.00 1.18 0.00 0.00 52.55 53.62 2aiz s ASP 120 Cb 0.30 0.00 1.16 0.00 -0.34 0.00 0.00 42.92 44.04 2aiz s ASP 120 CO -0.09 -0.25 1.47 -0.33 0.68 0.00 0.00 175.17 176.65 2aiz h GLU 121 N 3.62 0.00 0.29 2.11 4.39 -1.99 0.90 114.58 123.90 2aiz h GLU 121 Ca -0.37 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 2aiz h GLU 121 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2aiz h GLU 121 CO 0.52 0.00 -0.14 0.00 -1.16 0.00 0.00 179.01 178.23 2aiz h ALA 122 N 0.80 -0.47 -0.29 3.43 0.00 -1.98 -2.15 119.26 118.61 2aiz h ALA 122 Ca 0.50 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 2aiz h ALA 122 Cb 2.67 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 20.61 2aiz h ALA 122 CO -0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 179.25 178.51 2aiz h ALA 123 N -1.33 0.43 -0.32 0.00 0.00 -1.40 -2.38 119.26 114.26 2aiz h ALA 123 Ca -0.04 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2aiz h ALA 123 Cb 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2aiz h ALA 123 CO 0.06 0.45 0.03 1.88 0.00 0.00 0.00 179.25 181.68 2aiz h TYR 124 N 0.47 0.04 -0.19 0.00 0.05 0.58 -0.69 116.97 117.23 2aiz h TYR 124 Ca 0.05 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 2aiz h TYR 124 Cb 0.87 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 2aiz h TYR 124 CO 0.07 -0.02 -0.05 0.77 -1.05 0.00 0.00 178.16 177.88 2aiz h SER 125 N 0.13 0.27 0.54 3.88 0.02 -1.38 -1.53 113.55 115.48 2aiz h SER 125 Ca 0.15 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2aiz h SER 125 Cb 0.18 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2aiz h SER 125 CO -0.22 0.36 -0.30 0.11 -1.14 0.00 0.00 176.83 175.64 2aiz h LYS 126 N 0.28 0.00 0.00 3.45 1.57 -0.62 -3.05 116.57 118.20 2aiz h LYS 126 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 2aiz h LYS 126 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2aiz h LYS 126 CO 0.01 0.30 -1.55 -0.91 -0.57 0.00 0.00 179.45 176.72 2aiz h ASN 127 N 0.00 0.00 -0.65 0.86 2.35 -0.42 -3.43 115.58 114.29 2aiz h ASN 127 Ca -0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 2aiz h ASN 127 Cb 0.65 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 2aiz h ASN 127 CO 0.04 0.90 0.87 -0.13 -1.65 0.00 0.00 177.43 177.46 2aiz s ARG 128 N -2.69 2.58 0.14 0.81 0.52 -0.66 -1.80 118.95 117.86 2aiz s ARG 128 Ca -0.04 -0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 54.34 2aiz s ARG 128 Cb 0.08 -5.13 0.07 0.00 0.52 0.00 0.00 34.95 30.49 2aiz s ARG 128 CO 0.82 -3.52 0.60 -0.98 0.02 0.00 0.00 175.30 172.24 2aiz s ARG 129 N 6.76 1.25 -0.31 3.54 1.70 -1.00 -1.48 118.95 129.41 2aiz s ARG 129 Ca 0.69 -0.42 0.02 0.00 -0.47 0.00 0.00 55.73 55.55 2aiz s ARG 129 Cb -0.05 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 35.00 2aiz s ARG 129 CO 0.03 -0.54 0.03 0.00 -1.08 0.00 0.00 175.30 173.75 2aiz s ALA 130 N -3.54 2.41 -0.46 7.88 0.00 -0.56 0.11 121.76 127.60 2aiz s ALA 130 Ca 0.00 -2.10 -0.24 0.00 0.00 0.00 0.00 51.96 49.62 2aiz s ALA 130 Cb -0.01 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.36 2aiz s ALA 130 CO -0.11 -1.57 0.86 0.08 0.00 0.00 0.00 175.76 175.02 2aiz s VAL 131 N 1.16 4.55 -0.44 0.00 1.01 0.59 -2.29 120.40 124.99 2aiz s VAL 131 Ca 0.06 0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 2aiz s VAL 131 Cb -0.19 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.73 2aiz s VAL 131 CO -0.11 -0.81 2.38 0.18 0.00 0.00 0.00 175.10 176.74 2aiz n LEU 132 N 6.98 2.49 -4.66 3.92 7.99 0.37 -1.98 117.00 132.11 2aiz n LEU 132 Ca 0.04 -0.35 -0.36 0.00 -0.01 0.00 0.00 56.01 55.33 2aiz n LEU 132 Cb 0.48 -1.57 -0.09 0.00 -0.11 0.00 0.00 43.42 42.13 2aiz n LEU 132 CO 0.62 -1.38 -0.20 0.00 -1.51 0.00 0.00 177.39 174.91 2aiz s ALA 133 N 11.39 3.55 -2.27 -1.18 0.00 0.38 -4.86 121.76 128.79 2aiz s ALA 133 Ca 0.99 -0.83 0.30 0.00 0.00 0.00 0.00 51.96 52.42 2aiz s ALA 133 Cb -0.22 -2.18 1.45 0.00 0.00 0.00 0.00 23.12 22.17 2aiz s ALA 133 CO 0.28 -0.05 1.97 0.66 0.00 0.00 0.00 175.76 178.63