#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiz h SER 2 N 0.00 0.26 -1.75 0.00 0.02 -2.01 -3.46 113.55 106.61 2aiz h SER 2 Ca 0.00 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 2aiz h SER 2 Cb 0.00 -0.08 0.08 0.00 0.14 0.00 0.00 62.40 62.54 2aiz h SER 2 CO 0.00 1.11 -0.05 -1.54 -1.14 0.00 0.00 176.83 175.21 2aiz n SER 3 N -3.56 -2.64 -0.06 3.07 3.41 -1.26 -5.00 113.62 107.59 2aiz n SER 3 Ca -0.04 -0.36 -0.05 0.00 -0.26 0.00 0.00 58.87 58.15 2aiz n SER 3 Cb 0.90 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 2aiz n SER 3 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2aiz h SER 4 N -2.49 0.00 -3.77 4.04 0.87 -2.10 -3.45 113.55 106.66 2aiz h SER 4 Ca -0.14 -0.23 -0.66 0.00 -1.23 0.00 0.00 61.79 59.53 2aiz h SER 4 Cb 0.48 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.06 2aiz h SER 4 CO 0.09 0.71 -0.80 0.54 -0.53 0.00 0.00 176.83 176.84 2aiz s ASN 5 N -5.81 4.24 -0.15 6.23 4.22 -1.26 -5.04 114.94 117.38 2aiz s ASN 5 Ca -0.08 -1.30 -0.09 0.00 -2.14 0.00 0.00 52.86 49.24 2aiz s ASN 5 Cb 0.00 -1.47 0.05 0.00 1.28 0.00 0.00 41.25 41.11 2aiz s ASN 5 CO 0.22 -0.19 0.36 0.21 -2.04 0.00 0.00 177.10 175.66 2aiz s ASN 6 N 1.17 -0.43 -0.21 3.54 3.84 -1.26 -4.99 114.94 116.60 2aiz s ASN 6 Ca -0.07 0.77 -0.21 0.00 0.21 0.00 0.00 52.86 53.56 2aiz s ASN 6 Cb -0.19 0.68 -0.19 0.00 -0.55 0.00 0.00 41.25 41.00 2aiz s ASN 6 CO -0.06 -0.17 0.21 -0.90 -2.79 0.00 0.00 177.10 173.39 2aiz n ASP 7 N 3.94 1.87 0.00 -4.21 5.75 -1.26 -4.68 116.55 117.97 2aiz n ASP 7 Ca -0.21 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 2aiz n ASP 7 Cb 0.55 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2aiz n ALA 8 N -3.41 0.00 0.00 2.12 0.00 -1.26 -5.01 120.51 112.95 2aiz n ALA 8 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2aiz n ALA 8 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.58 0.00 0.06 0.00 0.00 -1.26 -3.88 120.51 112.84 2aiz n ALA 9 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2aiz n ALA 9 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 -1.29 1.27 0.00 0.00 -1.26 -5.08 105.19 98.83 2aiz n GLY 10 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.81 -7.08 0.03 1.61 3.02 -1.25 -4.84 115.26 103.94 2aiz n ASN 11 Ca -0.06 0.96 0.12 0.00 -0.03 0.00 0.00 54.58 55.57 2aiz n ASN 11 Cb 0.73 -3.39 0.18 0.00 -0.61 0.00 0.00 39.78 36.69 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 -0.36 -1.31 0.00 7.41 0.00 -1.26 -4.50 105.19 105.17 2aiz n GLY 12 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.69 -0.12 -2.93 4.61 0.00 -1.26 -4.93 120.51 114.19 2aiz n ALA 13 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2aiz n ALA 13 Cb 0.39 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.23 -2.41 -2.00 0.00 0.00 -1.26 -5.04 120.51 107.57 2aiz n ALA 14 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2aiz n ALA 14 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -1.79 0.00 -3.29 0.00 6.02 -1.26 -5.01 117.38 112.05 2aiz n GLN 15 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2aiz n GLN 15 Cb 0.51 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.71 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 1.96 4.84 -0.16 5.09 -4.23 -1.26 -3.65 115.64 118.22 2aiz s THR 16 Ca 0.00 0.64 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 2aiz s THR 16 Cb 0.00 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.27 2aiz s THR 16 CO 0.00 -0.14 0.41 -0.36 -0.54 0.00 0.00 174.62 173.99 2aiz s PHE 17 N -1.91 -0.51 0.00 3.99 0.08 -0.13 -4.90 117.98 114.59 2aiz s PHE 17 Ca 0.50 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.73 2aiz s PHE 17 Cb -0.11 0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 2aiz s PHE 17 CO 0.20 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.46 2aiz n GLY 18 N 3.44 0.39 0.00 4.36 0.00 -1.26 -3.11 105.19 109.00 2aiz n GLY 18 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.65 2.18 3.62 -0.02 0.00 -1.26 -4.84 105.19 103.22 2aiz n GLY 19 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.31 2.60 0.03 1.61 2.02 -1.18 -5.11 117.35 117.00 2aiz s TYR 20 Ca 0.00 -0.31 -0.05 0.00 -0.37 0.00 0.00 57.07 56.34 2aiz s TYR 20 Cb 0.00 -1.28 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 2aiz s TYR 20 CO 0.00 0.57 0.27 -1.12 -1.57 0.00 0.00 175.55 173.70 2aiz s SER 21 N -3.68 6.47 0.15 2.29 0.01 -1.26 -0.96 113.70 116.73 2aiz s SER 21 Ca 0.33 0.52 -0.23 0.00 1.31 0.00 0.00 55.95 57.87 2aiz s SER 21 Cb -0.04 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.13 2aiz s SER 21 CO 0.19 0.22 1.32 0.52 0.41 0.00 0.00 173.24 175.91 2aiz n VAL 22 N 0.92 -0.55 0.20 3.43 0.31 -1.24 0.99 118.33 122.40 2aiz n VAL 22 Ca -0.10 2.05 0.09 0.00 -0.01 0.00 0.00 64.34 66.38 2aiz n VAL 22 Cb 0.53 -2.59 0.47 0.00 -0.91 0.00 0.00 33.84 31.34 2aiz n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2aiz h ALA 23 N 0.64 1.22 0.01 3.52 0.00 -1.95 -0.65 119.26 122.04 2aiz h ALA 23 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.69 2aiz h ALA 23 Cb 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2aiz h ALA 23 CO -0.82 -0.22 -2.45 -0.25 0.00 0.00 0.00 179.25 175.52 2aiz n ASP 24 N -2.25 1.98 0.28 0.00 8.00 0.28 -3.74 116.55 121.09 2aiz n ASP 24 Ca -0.01 0.03 0.17 0.00 0.71 0.00 0.00 54.79 55.69 2aiz n ASP 24 Cb 0.31 -0.56 0.87 0.00 -0.02 0.00 0.00 41.12 41.72 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2aiz h LEU 25 N -0.30 0.00 0.00 0.64 3.38 0.18 0.57 115.31 119.79 2aiz h LEU 25 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2aiz h LEU 25 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2aiz h LEU 25 CO -0.18 0.00 -1.11 0.00 0.09 0.00 0.00 178.44 177.24 2aiz n GLN 26 N -3.17 1.01 0.00 1.13 3.00 -0.90 -4.25 117.38 114.20 2aiz n GLN 26 Ca -0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2aiz n GLN 26 Cb 0.37 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.25 2aiz n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2aiz n GLN 27 N -1.62 1.61 0.00 -1.09 10.64 -0.11 -4.95 117.38 121.87 2aiz n GLN 27 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2aiz n GLN 27 Cb 0.33 -0.97 0.00 0.00 -0.86 0.00 0.00 30.24 28.74 2aiz n GLN 27 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 2aiz n ARG 28 N -1.58 0.00 -3.60 2.61 1.85 0.18 -5.00 116.66 111.12 2aiz n ARG 28 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 2aiz n ARG 28 Cb 0.17 -0.52 -0.10 0.00 -1.05 0.00 0.00 32.46 30.97 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2aiz s TYR 29 N -1.97 3.39 0.00 2.89 2.02 -0.82 -4.69 117.35 118.16 2aiz s TYR 29 Ca 0.00 -1.72 0.00 0.00 -0.37 0.00 0.00 57.07 54.98 2aiz s TYR 29 Cb 0.00 -3.16 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 2aiz s TYR 29 CO 0.00 -0.91 0.00 0.27 -1.57 0.00 0.00 175.55 173.34 2aiz n ASN 30 N 4.89 0.00 -4.07 2.29 0.23 -1.26 -4.37 115.26 112.97 2aiz n ASN 30 Ca -0.09 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.68 2aiz n ASN 30 Cb 0.42 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.95 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2aiz s THR 31 N 0.00 1.50 0.09 5.53 2.01 -1.26 0.12 115.64 123.63 2aiz s THR 31 Ca 0.00 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2aiz s THR 31 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2aiz s THR 31 CO 0.00 0.44 0.09 -0.69 -0.69 0.00 0.00 174.62 173.77 2aiz s VAL 32 N 0.84 4.58 -0.25 3.82 1.01 -0.93 -4.96 120.40 124.52 2aiz s VAL 32 Ca -0.10 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2aiz s VAL 32 Cb -0.15 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.05 2aiz s VAL 32 CO 0.01 0.10 -0.09 -0.31 0.00 0.00 0.00 175.10 174.80 2aiz s TYR 33 N -1.44 3.15 0.52 5.22 1.51 -1.26 -1.12 117.35 123.93 2aiz s TYR 33 Ca 0.30 -1.97 -0.00 0.00 -1.01 0.00 0.00 57.07 54.39 2aiz s TYR 33 Cb -0.12 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2aiz s TYR 33 CO 0.22 -0.82 0.75 -0.06 -1.11 0.00 0.00 175.55 174.54 2aiz s PHE 34 N 1.21 3.06 0.46 2.71 0.08 0.35 -4.91 117.98 120.94 2aiz s PHE 34 Ca -0.04 0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.24 2aiz s PHE 34 Cb -0.18 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.64 2aiz s PHE 34 CO -0.05 -0.67 0.01 0.20 -0.10 0.00 0.00 175.22 174.60 2aiz s GLY 35 N -4.33 2.75 0.43 4.36 0.00 -1.26 -4.62 107.32 104.66 2aiz s GLY 35 Ca 0.53 -1.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.62 2aiz s GLY 35 CO 0.39 -2.14 1.41 -0.12 0.00 0.00 0.00 173.10 172.63 2aiz s PHE 36 N -2.80 2.55 -0.95 1.90 2.19 -1.26 -2.08 117.98 117.53 2aiz s PHE 36 Ca 0.21 1.28 0.00 0.00 0.33 0.00 0.00 56.93 58.75 2aiz s PHE 36 Cb 0.06 -3.88 0.00 0.00 -1.31 0.00 0.00 43.02 37.89 2aiz s PHE 36 CO 0.11 -2.76 0.00 -0.40 1.83 0.00 0.00 175.22 174.00 2aiz n ASP 37 N -0.05 -3.11 -4.57 6.13 5.68 -1.26 -4.93 116.55 114.45 2aiz n ASP 37 Ca 0.04 0.25 -0.34 0.00 -0.50 0.00 0.00 54.79 54.24 2aiz n ASP 37 Cb 0.42 -2.80 -0.11 0.00 -1.14 0.00 0.00 41.12 37.49 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2aiz s LYS 38 N -4.16 3.24 -0.08 0.11 1.02 -0.88 -4.99 119.74 113.99 2aiz s LYS 38 Ca 0.00 -0.50 0.20 0.00 0.02 0.00 0.00 55.97 55.69 2aiz s LYS 38 Cb 0.00 -2.79 0.43 0.00 -0.52 0.00 0.00 37.83 34.95 2aiz s LYS 38 CO 0.00 0.47 1.19 2.48 -0.92 0.00 0.00 175.35 178.57 2aiz n TYR 39 N 2.82 0.08 -3.98 3.18 4.11 -1.26 -4.68 117.16 117.43 2aiz n TYR 39 Ca -0.18 -0.92 -0.09 0.00 -0.00 0.00 0.00 57.90 56.71 2aiz n TYR 39 Cb 0.53 -0.19 -0.11 0.00 -0.00 0.00 0.00 39.34 39.57 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 -2.50 0.25 0.59 9.48 1.11 -1.26 -4.64 116.67 119.69 2aiz s ASP 40 Ca 0.35 -0.52 -0.04 0.00 0.18 0.00 0.00 52.55 52.52 2aiz s ASP 40 Cb 0.38 0.12 0.02 0.00 1.07 0.00 0.00 42.92 44.51 2aiz s ASP 40 CO -0.13 -0.33 0.88 -0.63 1.18 0.00 0.00 175.17 176.14 2aiz s ILE 41 N -1.66 3.30 0.01 0.77 1.01 -1.26 -4.91 121.20 118.46 2aiz s ILE 41 Ca -0.14 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2aiz s ILE 41 Cb -0.08 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2aiz s ILE 41 CO -0.02 -0.30 -0.07 -0.89 0.00 0.00 0.00 174.94 173.66 2aiz s THR 42 N -2.97 3.62 0.51 2.92 2.01 -1.26 -5.00 115.64 115.48 2aiz s THR 42 Ca 0.55 -0.81 0.37 0.00 0.31 0.00 0.00 61.69 62.11 2aiz s THR 42 Cb -0.10 -2.58 0.58 0.00 0.01 0.00 0.00 72.50 70.40 2aiz s THR 42 CO 0.43 0.38 1.70 1.23 -0.69 0.00 0.00 174.62 177.67 2aiz h GLY 43 N 4.47 0.41 1.95 4.40 0.00 -1.99 0.55 103.07 112.85 2aiz h GLY 43 Ca -0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2aiz h GLY 43 CO 0.54 -0.10 -0.08 -2.09 0.00 0.00 0.00 176.54 174.81 2aiz h GLU 44 N 0.06 0.06 -0.21 4.80 4.81 -2.04 -2.39 114.58 119.67 2aiz h GLU 44 Ca 0.73 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.95 2aiz h GLU 44 Cb 2.68 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 32.04 2aiz h GLU 44 CO -0.12 0.14 0.00 0.66 -0.73 0.00 0.00 179.01 178.96 2aiz n TYR 45 N -4.41 0.27 -0.05 0.92 4.01 0.19 -4.48 117.16 113.60 2aiz n TYR 45 Ca -0.02 -0.18 -0.09 0.00 -0.16 0.00 0.00 57.90 57.46 2aiz n TYR 45 Cb 0.18 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.27 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 3.47 1.29 -0.93 -0.72 2.07 -0.93 -3.17 116.25 117.32 2aiz h VAL 46 Ca 0.00 -1.51 0.25 0.00 0.82 0.00 0.00 66.70 66.27 2aiz h VAL 46 Cb 0.80 1.42 -0.14 0.00 -1.52 0.00 0.00 31.29 31.85 2aiz h VAL 46 CO 0.00 0.49 0.40 0.06 0.02 0.00 0.00 177.57 178.54 2aiz h GLN 47 N 0.59 0.31 -0.23 1.57 -0.00 -1.79 0.80 115.11 116.37 2aiz h GLN 47 Ca 0.06 -0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.73 2aiz h GLN 47 Cb 0.88 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.48 28.25 2aiz h GLN 47 CO 0.08 0.21 -0.03 0.82 -0.00 0.00 0.00 178.83 179.90 2aiz h ILE 48 N 0.32 0.80 -0.99 1.86 2.04 -1.88 0.37 117.51 120.04 2aiz h ILE 48 Ca 0.61 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.54 2aiz h ILE 48 Cb 1.26 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 2aiz h ILE 48 CO -0.59 0.01 0.64 -0.07 0.00 0.00 0.00 178.15 178.13 2aiz h LEU 49 N 0.03 0.99 -0.21 1.44 3.38 -1.00 0.92 115.31 120.86 2aiz h LEU 49 Ca 0.11 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2aiz h LEU 49 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2aiz h LEU 49 CO -0.21 0.61 -0.09 0.44 0.09 0.00 0.00 178.44 179.29 2aiz h ASP 50 N 1.11 0.44 0.22 -0.43 3.32 -0.69 0.53 116.42 120.92 2aiz h ASP 50 Ca 0.44 -0.40 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 2aiz h ASP 50 Cb 0.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2aiz h ASP 50 CO -0.19 0.74 -0.61 0.00 -1.72 0.00 0.00 179.24 177.46 2aiz h ALA 51 N 0.71 0.74 -0.22 3.45 0.00 -0.46 -2.35 119.26 121.14 2aiz h ALA 51 Ca 0.05 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2aiz h ALA 51 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2aiz h ALA 51 CO 0.03 0.72 -0.61 0.45 0.00 0.00 0.00 179.25 179.84 2aiz h HIS 52 N 0.29 1.03 -0.16 0.00 3.86 0.91 -2.50 115.15 118.59 2aiz h HIS 52 Ca -0.01 -0.41 -0.03 0.00 -1.16 0.00 0.00 60.37 58.76 2aiz h HIS 52 Cb 1.15 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 2aiz h HIS 52 CO 0.04 1.23 -0.06 0.00 0.86 0.00 0.00 177.93 180.00 2aiz h ALA 53 N 0.61 1.62 0.01 2.45 0.00 0.14 0.24 119.26 124.32 2aiz h ALA 53 Ca -0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2aiz h ALA 53 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2aiz h ALA 53 CO 0.13 0.28 -0.96 0.00 0.00 0.00 0.00 179.25 178.70 2aiz h ALA 54 N 1.72 0.34 -0.09 0.00 0.00 -1.34 -2.08 119.26 117.80 2aiz h ALA 54 Ca 0.05 -0.71 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 2aiz h ALA 54 Cb 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2aiz h ALA 54 CO 0.01 0.81 -0.85 -0.92 0.00 0.00 0.00 179.25 178.30 2aiz h TYR 55 N 0.24 0.96 -0.42 0.00 3.20 -0.97 -0.75 116.97 119.24 2aiz h TYR 55 Ca -0.09 -0.46 -0.05 0.00 3.14 0.00 0.00 58.73 61.28 2aiz h TYR 55 Cb 1.60 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 2aiz h TYR 55 CO 0.06 1.28 0.07 1.25 -1.64 0.00 0.00 178.16 179.19 2aiz h LEU 56 N 0.44 0.66 -0.38 2.82 5.85 -0.59 -2.32 115.31 121.79 2aiz h LEU 56 Ca -0.07 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.23 2aiz h LEU 56 Cb 1.48 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2aiz h LEU 56 CO 0.17 0.74 -0.41 -1.13 -0.34 0.00 0.00 178.44 177.48 2aiz h ASN 57 N 0.54 1.01 -0.08 1.25 -1.24 -1.41 -2.78 115.58 112.87 2aiz h ASN 57 Ca 0.13 -0.47 0.02 0.00 0.71 0.00 0.00 56.30 56.69 2aiz h ASN 57 Cb 0.36 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 2aiz h ASN 57 CO 0.01 1.28 0.11 0.00 -1.29 0.00 0.00 177.43 177.53 2aiz h ALA 58 N 0.76 1.57 -3.18 1.57 0.00 -0.95 -3.28 119.26 115.75 2aiz h ALA 58 Ca 0.06 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.34 2aiz h ALA 58 Cb 1.00 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.40 2aiz h ALA 58 CO 0.10 -0.15 -0.68 0.95 0.00 0.00 0.00 179.25 179.47 2aiz s THR 59 N -4.54 1.98 0.64 0.00 -4.23 -0.89 -4.97 115.64 103.63 2aiz s THR 59 Ca -0.05 -2.93 0.27 0.00 -1.18 0.00 0.00 61.69 57.80 2aiz s THR 59 Cb 0.15 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.90 2aiz s THR 59 CO 0.51 -0.85 1.81 -0.65 -0.54 0.00 0.00 174.62 174.90 2aiz h PRO 60 N 6.61 0.00 -0.02 3.99 0.11 -1.68 0.66 132.00 141.68 2aiz h PRO 60 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2aiz h PRO 60 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2aiz h PRO 60 CO 0.58 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.29 2aiz n ALA 61 N -1.98 2.71 -2.68 -0.75 0.00 -1.26 -4.87 120.51 111.68 2aiz n ALA 61 Ca 0.01 -0.53 -0.39 0.00 0.00 0.00 0.00 53.44 52.54 2aiz n ALA 61 Cb 0.54 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.12 3.51 -0.08 0.00 0.00 0.23 -5.06 121.76 118.24 2aiz s ALA 62 Ca 0.31 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2aiz s ALA 62 Cb 0.20 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 2aiz s ALA 62 CO 0.37 -0.33 -0.22 -1.59 0.00 0.00 0.00 175.76 173.99 2aiz s LYS 63 N 1.38 2.57 0.04 0.00 -2.85 -1.26 -4.85 119.74 114.78 2aiz s LYS 63 Ca 0.26 -0.80 -0.05 0.00 -1.00 0.00 0.00 55.97 54.39 2aiz s LYS 63 Cb -0.16 -2.05 -0.05 0.00 -2.06 0.00 0.00 37.83 33.52 2aiz s LYS 63 CO 0.11 0.23 0.28 0.54 0.10 0.00 0.00 175.35 176.60 2aiz s VAL 64 N 0.19 5.29 -0.32 1.79 0.11 0.63 -4.79 120.40 123.30 2aiz s VAL 64 Ca -0.12 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 2aiz s VAL 64 Cb -0.16 -3.59 0.09 0.00 -1.53 0.00 0.00 36.38 31.19 2aiz s VAL 64 CO 0.06 0.26 0.01 -0.22 -3.33 0.00 0.00 175.10 171.88 2aiz s LEU 65 N -2.07 4.36 -0.40 2.54 0.20 0.50 -0.53 118.68 123.28 2aiz s LEU 65 Ca 0.31 -1.85 -0.29 0.00 0.69 0.00 0.00 54.13 52.99 2aiz s LEU 65 Cb -0.13 -1.63 0.02 0.00 -0.43 0.00 0.00 46.19 44.02 2aiz s LEU 65 CO 0.20 -0.33 1.16 -0.69 -0.29 0.00 0.00 176.35 176.39 2aiz s VAL 66 N 1.01 4.28 -0.34 1.68 1.01 0.28 0.14 120.40 128.46 2aiz s VAL 66 Ca 0.04 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 2aiz s VAL 66 Cb -0.20 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 2aiz s VAL 66 CO -0.06 -0.76 0.22 -0.70 0.00 0.00 0.00 175.10 173.80 2aiz s GLU 67 N 4.19 3.40 0.02 2.72 2.12 -0.90 -1.58 118.70 128.69 2aiz s GLU 67 Ca 0.49 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 55.14 2aiz s GLU 67 Cb -0.10 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 2aiz s GLU 67 CO 0.25 -0.46 0.04 0.20 -0.54 0.00 0.00 175.26 174.76 2aiz s GLY 68 N 1.69 1.96 -0.28 -1.50 0.00 0.65 -0.19 107.32 109.64 2aiz s GLY 68 Ca 0.05 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 2aiz s GLY 68 CO 0.09 -0.86 0.49 -1.31 0.00 0.00 0.00 173.10 171.52 2aiz s ASN 69 N -1.86 -0.58 0.23 1.64 0.01 -0.46 -2.00 114.94 111.91 2aiz s ASN 69 Ca 0.23 0.39 0.03 0.00 -0.71 0.00 0.00 52.86 52.80 2aiz s ASN 69 Cb -0.12 1.63 0.03 0.00 0.41 0.00 0.00 41.25 43.20 2aiz s ASN 69 CO 0.15 -0.29 0.24 0.35 -1.51 0.00 0.00 177.10 176.03 2aiz n THR 70 N 5.39 0.00 -1.68 1.60 -2.24 -1.26 -1.17 114.28 114.93 2aiz n THR 70 Ca -0.01 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.50 2aiz n THR 70 Cb 0.51 -0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 2aiz n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2aiz n ASP 71 N -2.30 2.56 0.27 3.42 5.75 -1.26 -4.66 116.55 120.32 2aiz n ASP 71 Ca 0.03 1.19 0.11 0.00 -0.01 0.00 0.00 54.79 56.11 2aiz n ASP 71 Cb 0.25 -1.45 0.74 0.00 -1.03 0.00 0.00 41.12 39.63 2aiz n ASP 71 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2aiz h GLU 72 N 2.76 0.00 -5.77 0.11 -0.00 -1.95 -3.42 114.58 106.31 2aiz h GLU 72 Ca -0.45 0.00 -0.73 0.00 -0.00 0.00 0.00 59.36 58.18 2aiz h GLU 72 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 30.00 2aiz h GLU 72 CO 0.64 0.05 1.34 -2.13 -0.00 0.00 0.00 179.01 178.92 2aiz n ARG 73 N -4.06 0.00 0.00 1.06 3.00 -1.26 -4.45 116.66 110.95 2aiz n ARG 73 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2aiz n ARG 73 Cb 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.13 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2aiz n GLY 74 N 7.24 -0.42 3.87 5.14 0.00 -1.26 -4.86 105.19 114.90 2aiz n GLY 74 Ca 0.55 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.52 5.16 0.32 2.61 -4.23 -1.26 -4.84 115.64 112.88 2aiz s THR 75 Ca 0.00 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2aiz s THR 75 Cb 0.00 -3.45 0.40 0.00 1.34 0.00 0.00 72.50 70.79 2aiz s THR 75 CO 0.00 0.25 1.54 -2.65 -0.54 0.00 0.00 174.62 173.21 2aiz n PRO 76 N 0.73 -0.07 -0.34 3.99 -0.02 -1.26 0.11 135.00 138.13 2aiz n PRO 76 Ca -0.09 1.44 -0.03 0.00 -2.02 0.00 0.00 63.50 62.80 2aiz n PRO 76 Cb 0.52 -2.35 0.09 0.00 -0.02 0.00 0.00 33.50 31.74 2aiz n PRO 76 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2aiz h GLU 77 N 0.00 1.21 -0.02 -0.52 4.22 -1.97 1.24 114.58 118.75 2aiz h GLU 77 Ca 0.64 -0.07 -0.24 0.00 0.08 0.00 0.00 59.36 59.77 2aiz h GLU 77 Cb 1.43 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 30.41 2aiz h GLU 77 CO -0.89 0.80 -0.95 -0.92 -2.18 0.00 0.00 179.01 174.88 2aiz h TYR 78 N 1.25 0.79 0.00 0.92 5.03 0.38 -2.73 116.97 122.61 2aiz h TYR 78 Ca 0.34 -0.42 0.00 0.00 2.58 0.00 0.00 58.73 61.23 2aiz h TYR 78 Cb -0.14 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.04 2aiz h TYR 78 CO -0.01 1.24 0.00 0.09 -1.32 0.00 0.00 178.16 178.16 2aiz n ASN 79 N -3.80 0.00 -0.19 -2.11 3.02 0.22 -2.02 115.26 110.37 2aiz n ASN 79 Ca -0.08 0.39 0.19 0.00 -0.03 0.00 0.00 54.58 55.05 2aiz n ASN 79 Cb 0.84 -0.16 0.34 0.00 -0.61 0.00 0.00 39.78 40.19 2aiz n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aiz n ILE 80 N -0.97 -0.25 0.29 2.41 0.13 0.42 0.17 119.36 121.56 2aiz n ILE 80 Ca 0.00 1.21 -0.15 0.00 -1.10 0.00 0.00 62.75 62.71 2aiz n ILE 80 Cb 0.00 -1.97 -0.08 0.00 -0.84 0.00 0.00 39.64 36.75 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 1.19 -0.75 -0.51 1.51 0.00 -1.53 1.49 119.26 120.67 2aiz h ALA 81 Ca 0.50 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.31 2aiz h ALA 81 Cb 1.32 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 2aiz h ALA 81 CO -0.46 -0.81 -0.29 -0.07 0.00 0.00 0.00 179.25 177.61 2aiz h LEU 82 N -0.96 -1.01 -0.32 0.00 -0.00 0.23 -1.23 115.31 112.03 2aiz h LEU 82 Ca -0.08 0.20 -0.11 0.00 -0.00 0.00 0.00 57.88 57.89 2aiz h LEU 82 Cb 0.64 0.51 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 2aiz h LEU 82 CO 0.13 -0.29 -0.24 1.23 -0.00 0.00 0.00 178.44 179.27 2aiz h GLY 83 N -0.17 0.78 -0.43 0.83 0.00 -1.24 -2.71 103.07 100.12 2aiz h GLY 83 Ca 0.22 -0.76 0.23 0.00 0.00 0.00 0.00 47.33 47.02 2aiz h GLY 83 CO -0.60 0.69 0.23 -1.61 0.00 0.00 0.00 176.54 175.24 2aiz h GLN 84 N 0.48 0.20 -0.07 4.80 5.75 0.31 1.22 115.11 127.81 2aiz h GLN 84 Ca 0.06 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.40 2aiz h GLN 84 Cb 0.79 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 2aiz h GLN 84 CO 0.06 0.13 -0.62 0.07 -2.65 0.00 0.00 178.83 175.83 2aiz h ARG 85 N 0.21 0.25 -0.02 1.69 0.11 -1.22 -2.02 114.38 113.38 2aiz h ARG 85 Ca 0.54 -0.17 -0.00 0.00 0.10 0.00 0.00 59.98 60.45 2aiz h ARG 85 Cb 1.08 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 2aiz h ARG 85 CO -0.65 0.79 0.01 0.00 0.10 0.00 0.00 179.97 180.22 2aiz h ARG 86 N 0.18 0.02 -0.71 0.08 3.08 0.14 -1.44 114.38 115.74 2aiz h ARG 86 Ca -0.01 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.13 2aiz h ARG 86 Cb 1.13 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 2aiz h ARG 86 CO 0.10 0.12 0.47 0.00 -1.07 0.00 0.00 179.97 179.58 2aiz h ALA 87 N 0.90 1.87 0.00 0.04 0.00 0.60 0.64 119.26 123.31 2aiz h ALA 87 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2aiz h ALA 87 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2aiz h ALA 87 CO -0.00 -0.01 -0.20 -0.44 0.00 0.00 0.00 179.25 178.60 2aiz h ASP 88 N 0.60 0.00 0.84 0.00 5.19 -0.59 0.54 116.42 123.00 2aiz h ASP 88 Ca 0.33 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.69 2aiz h ASP 88 Cb 0.48 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.00 2aiz h ASP 88 CO -0.11 0.20 -0.40 0.00 -3.12 0.00 0.00 179.24 175.80 2aiz h ALA 89 N 1.80 -1.13 -0.54 3.45 0.00 0.13 0.50 119.26 123.48 2aiz h ALA 89 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2aiz h ALA 89 Cb 0.35 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2aiz h ALA 89 CO 0.03 -1.06 0.05 0.28 0.00 0.00 0.00 179.25 178.54 2aiz h VAL 90 N -1.28 1.24 -0.24 0.00 2.07 -1.24 -1.11 116.25 115.69 2aiz h VAL 90 Ca -0.12 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 2aiz h VAL 90 Cb 0.87 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2aiz h VAL 90 CO 0.19 0.35 0.14 0.50 0.02 0.00 0.00 177.57 178.78 2aiz h LYS 91 N 0.82 0.34 0.00 1.57 3.11 0.15 -1.35 116.57 121.21 2aiz h LYS 91 Ca 0.17 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2aiz h LYS 91 Cb 0.42 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2aiz h LYS 91 CO 0.01 0.28 0.00 0.78 -2.81 0.00 0.00 179.45 177.71 2aiz h GLY 92 N 0.30 0.00 0.37 5.01 0.00 0.24 -2.11 103.07 106.87 2aiz h GLY 92 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2aiz h GLY 92 CO -0.02 0.00 -0.18 -1.82 0.00 0.00 0.00 176.54 174.53 2aiz h TYR 93 N 0.00 -0.46 -0.84 5.60 5.03 -0.10 -0.11 116.97 126.09 2aiz h TYR 93 Ca 0.00 -0.01 0.20 0.00 2.58 0.00 0.00 58.73 61.50 2aiz h TYR 93 Cb 0.42 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.80 2aiz h TYR 93 CO 0.00 -0.29 0.57 -0.07 -1.32 0.00 0.00 178.16 177.05 2aiz h LEU 94 N -0.72 0.31 -0.80 2.82 3.38 -1.37 0.45 115.31 119.39 2aiz h LEU 94 Ca -0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2aiz h LEU 94 Cb 0.38 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2aiz h LEU 94 CO 0.08 0.13 0.40 0.00 0.09 0.00 0.00 178.44 179.15 2aiz h ALA 95 N 1.62 1.02 -0.22 1.53 0.00 -1.24 -0.89 119.26 121.08 2aiz h ALA 95 Ca 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2aiz h ALA 95 Cb 1.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2aiz h ALA 95 CO -0.13 0.57 0.07 0.78 0.00 0.00 0.00 179.25 180.54 2aiz h GLY 96 N 1.12 0.33 1.86 0.00 0.00 0.18 0.80 103.07 107.36 2aiz h GLY 96 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2aiz h GLY 96 CO -0.04 0.14 0.00 0.28 0.00 0.00 0.00 176.54 176.92 2aiz n LYS 97 N -4.42 0.09 0.00 4.80 4.76 -0.71 -4.84 118.16 117.84 2aiz n LYS 97 Ca 0.00 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2aiz n LYS 97 Cb 0.14 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aiz n GLY 98 N 0.52 1.05 3.71 0.72 0.00 0.27 -5.08 105.19 106.39 2aiz n GLY 98 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 4.85 1.03 1.61 1.01 -0.42 -4.99 120.40 121.49 2aiz s VAL 99 Ca 0.00 2.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.88 2aiz s VAL 99 Cb 0.00 -4.30 0.21 0.00 0.00 0.00 0.00 36.38 32.29 2aiz s VAL 99 CO 0.00 0.18 1.08 -1.81 0.00 0.00 0.00 175.10 174.55 2aiz s ASP 100 N 0.90 2.11 -0.05 3.32 1.11 -1.26 -4.14 116.67 118.66 2aiz s ASP 100 Ca 0.51 1.70 0.13 0.00 0.18 0.00 0.00 52.55 55.06 2aiz s ASP 100 Cb -0.21 -2.34 -0.23 0.00 1.07 0.00 0.00 42.92 41.21 2aiz s ASP 100 CO 0.27 -3.53 0.65 0.00 1.18 0.00 0.00 175.17 173.75 2aiz n ALA 101 N -4.48 1.49 0.32 5.23 0.00 -1.26 -3.79 120.51 118.02 2aiz n ALA 101 Ca 0.06 -0.77 0.19 0.00 0.00 0.00 0.00 53.44 52.92 2aiz n ALA 101 Cb 0.54 -0.84 1.08 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 3.50 0.00 -0.99 0.00 0.00 -2.02 -0.28 103.07 103.29 2aiz h GLY 102 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2aiz h GLY 102 CO 0.08 0.00 -0.39 0.58 0.00 0.00 0.00 176.54 176.81 2aiz n LYS 103 N -3.42 1.43 -3.72 4.80 2.85 -1.26 -4.95 118.16 113.90 2aiz n LYS 103 Ca -0.03 -1.02 -0.31 0.00 -1.05 0.00 0.00 58.31 55.90 2aiz n LYS 103 Cb 0.08 -1.41 -0.04 0.00 -0.65 0.00 0.00 35.03 33.01 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 -2.29 4.28 -0.11 -5.58 1.43 -0.12 -0.27 118.68 116.03 2aiz s LEU 104 Ca 0.18 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 2aiz s LEU 104 Cb 0.17 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 43.18 2aiz s LEU 104 CO 0.50 0.06 0.39 -0.83 0.23 0.00 0.00 176.35 176.70 2aiz s GLY 105 N -2.51 -0.28 0.10 -3.19 0.00 0.31 -4.91 107.32 96.85 2aiz s GLY 105 Ca 0.40 0.94 0.03 0.00 0.00 0.00 0.00 44.72 46.09 2aiz s GLY 105 CO 0.26 0.76 -0.09 -0.51 0.00 0.00 0.00 173.10 173.51 2aiz s THR 106 N -0.24 0.93 -0.29 0.90 -4.23 -1.26 0.10 115.64 111.55 2aiz s THR 106 Ca -0.04 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 58.56 2aiz s THR 106 Cb -0.03 -1.48 0.16 0.00 1.34 0.00 0.00 72.50 72.49 2aiz s THR 106 CO 0.02 -0.64 1.03 0.68 -0.54 0.00 0.00 174.62 175.17 2aiz s VAL 107 N -2.76 -0.03 -0.10 2.29 -7.23 -0.61 -4.91 120.40 107.05 2aiz s VAL 107 Ca 0.08 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.29 2aiz s VAL 107 Cb -0.01 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 2aiz s VAL 107 CO -0.01 0.00 -0.23 -0.55 -0.31 0.00 0.00 175.10 174.01 2aiz s SER 108 N 1.37 3.21 -0.26 4.85 0.15 -1.26 -0.25 113.70 121.50 2aiz s SER 108 Ca -0.08 -0.53 0.12 0.00 0.70 0.00 0.00 55.95 56.16 2aiz s SER 108 Cb -0.03 -1.38 0.53 0.00 -1.71 0.00 0.00 66.02 63.43 2aiz s SER 108 CO -0.14 0.17 1.49 -1.22 1.20 0.00 0.00 173.24 174.74 2aiz n TYR 109 N 3.46 1.20 0.00 3.44 4.01 -0.85 -4.79 117.16 123.64 2aiz n TYR 109 Ca -0.19 -1.32 0.00 0.00 -0.16 0.00 0.00 57.90 56.23 2aiz n TYR 109 Cb 0.53 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.86 0.00 0.94 2.72 0.00 -1.26 -1.10 105.19 105.63 2aiz n GLY 110 Ca 0.31 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 2.21 0.21 1.61 -0.00 -1.26 -4.48 120.64 118.93 2aiz n GLU 111 Ca 0.00 -1.84 -0.17 0.00 -0.00 0.00 0.00 57.16 55.15 2aiz n GLU 111 Cb 0.00 -1.45 -0.09 0.00 -0.00 0.00 0.00 31.44 29.90 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 3.36 -0.82 -2.58 3.44 4.57 -1.49 -3.38 114.58 117.68 2aiz h GLU 112 Ca 0.00 0.06 -0.58 0.00 -1.18 0.00 0.00 59.36 57.65 2aiz h GLU 112 Cb 0.75 0.19 -0.39 0.00 -0.16 0.00 0.00 28.75 29.14 2aiz h GLU 112 CO 0.00 -0.55 -0.85 0.21 -1.18 0.00 0.00 179.01 176.64 2aiz s LYS 113 N -5.88 0.58 1.03 1.92 2.20 -1.22 -5.14 119.74 113.23 2aiz s LYS 113 Ca -0.17 -1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 53.94 2aiz s LYS 113 Cb 0.06 -1.33 0.21 0.00 -1.51 0.00 0.00 37.83 35.26 2aiz s LYS 113 CO 0.62 -1.22 1.09 -2.14 -0.36 0.00 0.00 175.35 173.33 2aiz s PRO 114 N 0.99 0.10 -0.06 4.03 0.02 -1.26 -5.02 135.00 133.81 2aiz s PRO 114 Ca 0.19 1.21 -0.08 0.00 0.02 0.00 0.00 61.00 62.34 2aiz s PRO 114 Cb -0.21 -1.64 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 2aiz s PRO 114 CO -0.00 -3.15 -0.16 0.00 -0.33 0.00 0.00 177.00 173.36 2aiz n ALA 115 N -4.56 1.51 -2.55 -1.55 0.00 -1.26 -4.94 120.51 107.16 2aiz n ALA 115 Ca 0.08 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 2aiz n ALA 115 Cb 0.53 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.15 4.76 0.32 0.00 1.01 -1.26 -5.03 120.40 118.06 2aiz s VAL 116 Ca -0.13 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2aiz s VAL 116 Cb 0.02 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 2aiz s VAL 116 CO 0.20 -0.53 1.47 -0.76 0.00 0.00 0.00 175.10 175.48 2aiz s LEU 117 N 3.01 4.36 0.00 3.92 2.01 -1.26 -4.82 118.68 125.90 2aiz s LEU 117 Ca 0.27 2.87 0.00 0.00 0.01 0.00 0.00 54.13 57.29 2aiz s LEU 117 Cb -0.13 -3.65 0.00 0.00 0.01 0.00 0.00 46.19 42.42 2aiz s LEU 117 CO 0.19 -0.78 0.00 0.61 1.01 0.00 0.00 176.35 177.38 2aiz n GLY 118 N 1.31 1.65 2.25 -3.19 0.00 -1.26 -4.91 105.19 101.03 2aiz n GLY 118 Ca 0.04 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.67 -0.60 -4.02 1.61 1.44 -1.26 -4.70 115.22 107.02 2aiz n HIS 119 Ca 0.00 -3.41 -0.09 0.00 -2.01 0.00 0.00 57.72 52.21 2aiz n HIS 119 Cb 0.00 -0.17 -0.11 0.00 0.12 0.00 0.00 29.99 29.84 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 -1.37 0.39 0.46 4.39 1.11 -1.26 -4.93 116.67 115.47 2aiz s ASP 120 Ca 0.35 -0.63 0.39 0.00 0.18 0.00 0.00 52.55 52.84 2aiz s ASP 120 Cb 0.20 0.11 1.48 0.00 1.07 0.00 0.00 42.92 45.79 2aiz s ASP 120 CO -0.12 -0.36 1.41 -0.62 1.18 0.00 0.00 175.17 176.66 2aiz n GLU 121 N 1.21 -0.01 0.21 8.23 -0.58 -1.26 0.11 120.64 128.54 2aiz n GLU 121 Ca -0.21 1.04 -0.09 0.00 -0.42 0.00 0.00 57.16 57.48 2aiz n GLU 121 Cb 0.56 -2.25 -0.04 0.00 -0.57 0.00 0.00 31.44 29.14 2aiz n GLU 121 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aiz h ALA 122 N 1.11 -0.68 -0.34 0.62 0.00 -1.98 -1.65 119.26 116.33 2aiz h ALA 122 Ca 0.83 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.53 2aiz h ALA 122 Cb 3.09 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 21.10 2aiz h ALA 122 CO -0.17 -0.64 -0.13 0.00 0.00 0.00 0.00 179.25 178.32 2aiz h ALA 123 N -1.35 0.47 -0.14 0.00 0.00 -1.13 -2.36 119.26 114.75 2aiz h ALA 123 Ca -0.06 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2aiz h ALA 123 Cb 0.44 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2aiz h ALA 123 CO 0.10 0.36 -0.05 1.88 0.00 0.00 0.00 179.25 181.54 2aiz h TYR 124 N 0.47 -0.11 -0.68 0.00 -1.99 0.59 -0.80 116.97 114.44 2aiz h TYR 124 Ca 0.08 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 2aiz h TYR 124 Cb 0.65 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.42 2aiz h TYR 124 CO 0.06 -0.08 0.41 0.66 -0.00 0.00 0.00 178.16 179.21 2aiz h SER 125 N -0.02 0.81 -0.16 3.88 4.64 -1.30 -0.08 113.55 121.32 2aiz h SER 125 Ca 0.07 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2aiz h SER 125 Cb 0.13 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2aiz h SER 125 CO -0.16 0.62 0.03 0.50 -0.87 0.00 0.00 176.83 176.95 2aiz h LYS 126 N 0.94 0.36 0.01 4.77 1.63 -0.77 -2.37 116.57 121.14 2aiz h LYS 126 Ca 0.25 -0.05 -0.23 0.00 -0.85 0.00 0.00 60.65 59.76 2aiz h LYS 126 Cb -0.04 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 2aiz h LYS 126 CO -0.05 0.36 -1.13 -0.91 -3.45 0.00 0.00 179.45 174.28 2aiz h ASN 127 N 0.36 0.04 -0.21 4.20 2.35 0.23 -3.40 115.58 119.13 2aiz h ASN 127 Ca 0.08 -0.04 -0.50 0.00 -0.55 0.00 0.00 56.30 55.29 2aiz h ASN 127 Cb 0.19 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.56 2aiz h ASN 127 CO 0.00 1.03 1.70 0.54 -1.65 0.00 0.00 177.43 179.06 2aiz n ARG 128 N -3.32 1.50 -3.97 0.81 1.74 -0.18 -4.18 116.66 109.05 2aiz n ARG 128 Ca -0.03 -2.10 -0.11 0.00 -0.77 0.00 0.00 57.85 54.83 2aiz n ARG 128 Cb 0.96 -3.28 -0.12 0.00 -1.02 0.00 0.00 32.46 29.00 2aiz n ARG 128 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2aiz s ARG 129 N 5.74 0.25 -0.51 5.56 1.70 -0.31 0.13 118.95 131.51 2aiz s ARG 129 Ca 0.63 -0.41 0.04 0.00 -0.47 0.00 0.00 55.73 55.52 2aiz s ARG 129 Cb 0.08 -0.02 0.13 0.00 -0.57 0.00 0.00 34.95 34.57 2aiz s ARG 129 CO 0.14 -0.01 0.26 0.00 -1.08 0.00 0.00 175.30 174.60 2aiz s ALA 130 N -0.90 3.22 -0.38 7.88 0.00 -0.27 -1.35 121.76 129.96 2aiz s ALA 130 Ca -0.09 -3.22 -0.29 0.00 0.00 0.00 0.00 51.96 48.36 2aiz s ALA 130 Cb -0.06 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.94 2aiz s ALA 130 CO -0.00 -2.02 1.09 0.08 0.00 0.00 0.00 175.76 174.90 2aiz s VAL 131 N -0.25 4.41 -0.40 0.00 1.01 0.73 -2.18 120.40 123.73 2aiz s VAL 131 Ca 0.17 1.54 -0.27 0.00 0.00 0.00 0.00 61.98 63.42 2aiz s VAL 131 Cb -0.26 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 2aiz s VAL 131 CO 0.00 -0.66 2.15 -0.76 0.00 0.00 0.00 175.10 175.83 2aiz s LEU 132 N 3.92 3.42 -0.21 3.92 2.01 0.33 -2.11 118.68 129.94 2aiz s LEU 132 Ca 0.46 1.26 -0.09 0.00 0.01 0.00 0.00 54.13 55.77 2aiz s LEU 132 Cb -0.10 -3.01 -0.04 0.00 0.01 0.00 0.00 46.19 43.04 2aiz s LEU 132 CO 0.21 -2.31 0.11 0.00 1.01 0.00 0.00 176.35 175.37 2aiz s ALA 133 N 9.55 3.48 -2.58 4.21 0.00 0.38 -4.87 121.76 131.93 2aiz s ALA 133 Ca 0.91 -0.85 0.27 0.00 0.00 0.00 0.00 51.96 52.29 2aiz s ALA 133 Cb -0.22 -2.12 0.91 0.00 0.00 0.00 0.00 23.12 21.68 2aiz s ALA 133 CO 0.29 -0.05 1.66 0.66 0.00 0.00 0.00 175.76 178.32