#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azl s LYS 3 N 0.00 3.62 -0.02 0.54 1.02 -1.26 -0.96 119.74 122.68 1azl s LYS 3 Ca 0.00 -0.55 0.06 0.00 0.02 0.00 0.00 55.97 55.50 1azl s LYS 3 Cb 0.00 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1azl s LYS 3 CO 0.00 0.23 -0.19 0.00 -0.92 0.00 0.00 175.35 174.46 1azl s ALA 4 N 0.39 2.46 -0.15 5.17 0.00 0.15 -0.89 121.76 128.88 1azl s ALA 4 Ca -0.05 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1azl s ALA 4 Cb -0.14 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1azl s ALA 4 CO 0.03 0.55 -0.09 -1.17 0.00 0.00 0.00 175.76 175.08 1azl s LEU 5 N -0.82 2.91 -0.15 0.00 2.96 0.57 -1.33 118.68 122.80 1azl s LEU 5 Ca 0.11 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1azl s LEU 5 Cb -0.10 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1azl s LEU 5 CO 0.01 0.14 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.38 1azl s ILE 6 N 0.54 2.52 -0.12 6.68 1.01 -0.04 -0.83 121.20 130.97 1azl s ILE 6 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1azl s ILE 6 Cb -0.15 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1azl s ILE 6 CO 0.03 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.62 1azl s VAL 7 N 0.86 1.76 0.09 2.92 1.01 -0.73 -0.83 120.40 125.47 1azl s VAL 7 Ca -0.05 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1azl s VAL 7 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1azl s VAL 7 CO -0.01 0.49 -0.17 -0.72 0.00 0.00 0.00 175.10 174.69 1azl s TYR 8 N 0.82 1.45 -0.18 5.22 -0.85 -0.92 -1.26 117.35 121.63 1azl s TYR 8 Ca -0.09 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 1azl s TYR 8 Cb -0.16 -0.80 0.01 0.00 0.38 0.00 0.00 41.96 41.39 1azl s TYR 8 CO 0.00 0.12 -0.16 0.20 -1.52 0.00 0.00 175.55 174.19 1azl s GLY 9 N -1.87 1.45 -0.06 5.49 0.00 -0.36 -0.26 107.32 111.71 1azl s GLY 9 Ca 0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 1azl s GLY 9 CO 0.03 0.21 0.15 -0.45 0.00 0.00 0.00 173.10 173.04 1azl s SER 10 N 1.15 -0.15 -0.22 1.64 0.15 -1.26 -3.19 113.70 111.82 1azl s SER 10 Ca 0.01 0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 1azl s SER 10 Cb -0.14 0.27 -0.12 0.00 -1.71 0.00 0.00 66.02 64.32 1azl s SER 10 CO -0.06 -0.09 -0.23 0.41 1.20 0.00 0.00 173.24 174.46 1azl n THR 11 N 3.49 1.21 0.35 6.45 -1.04 -1.26 -4.62 114.28 118.86 1azl n THR 11 Ca -0.18 -0.39 0.10 0.00 -2.04 0.00 0.00 64.05 61.53 1azl n THR 11 Cb 0.56 -1.50 0.15 0.00 -1.82 0.00 0.00 70.33 67.73 1azl n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1azl n THR 12 N -3.52 0.41 -0.07 12.58 -2.24 -1.26 -4.99 114.28 115.18 1azl n THR 12 Ca -0.40 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1azl n THR 12 Cb 0.86 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 1azl n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1azl n GLY 13 N 1.14 0.47 0.09 3.38 0.00 -1.26 -4.98 105.19 104.03 1azl n GLY 13 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1azl n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1azl h ASN 14 N 0.00 0.17 0.34 1.61 2.35 -1.95 -1.35 115.58 116.75 1azl h ASN 14 Ca 0.00 -0.72 -0.09 0.00 -0.55 0.00 0.00 56.30 54.94 1azl h ASN 14 Cb 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1azl h ASN 14 CO 0.00 0.86 -0.41 0.74 -1.65 0.00 0.00 177.43 176.97 1azl h THR 15 N -0.51 1.30 -0.33 2.81 2.02 -1.94 -0.84 112.91 115.44 1azl h THR 15 Ca -0.02 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.64 1azl h THR 15 Cb 0.88 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1azl h THR 15 CO 0.03 0.43 -0.05 -0.08 0.37 0.00 0.00 175.52 176.22 1azl h GLU 16 N 0.09 0.61 -0.93 6.66 4.81 -1.86 -0.21 114.58 123.75 1azl h GLU 16 Ca 0.01 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1azl h GLU 16 Cb 0.77 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 1azl h GLU 16 CO 0.06 0.77 0.61 -0.92 -0.73 0.00 0.00 179.01 178.80 1azl h TYR 17 N 0.39 1.16 -0.23 0.92 3.20 -1.01 -1.22 116.97 120.18 1azl h TYR 17 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1azl h TYR 17 Cb 0.52 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1azl h TYR 17 CO 0.04 0.72 0.12 1.15 -1.64 0.00 0.00 178.16 178.55 1azl h THR 18 N 1.24 1.14 -0.15 1.81 2.02 -0.78 -1.49 112.91 116.70 1azl h THR 18 Ca 0.35 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1azl h THR 18 Cb -0.12 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1azl h THR 18 CO -0.08 0.13 -0.05 0.00 0.37 0.00 0.00 175.52 175.89 1azl h ALA 19 N 0.98 0.08 -0.74 6.16 0.00 -0.67 -1.60 119.26 123.47 1azl h ALA 19 Ca 0.08 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1azl h ALA 19 Cb 0.11 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1azl h ALA 19 CO -0.01 -0.50 0.49 0.93 0.00 0.00 0.00 179.25 180.16 1azl h GLU 20 N -0.03 0.91 -0.26 0.00 5.08 -1.10 0.06 114.58 119.25 1azl h GLU 20 Ca 0.08 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1azl h GLU 20 Cb 0.14 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1azl h GLU 20 CO -0.17 0.60 -0.03 1.15 -1.00 0.00 0.00 179.01 179.57 1azl h THR 21 N 0.94 1.27 -0.36 1.13 2.02 -0.87 -1.90 112.91 115.14 1azl h THR 21 Ca 0.29 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1azl h THR 21 Cb -0.00 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1azl h THR 21 CO -0.08 0.31 0.01 0.40 0.37 0.00 0.00 175.52 176.54 1azl h ILE 22 N 0.24 1.25 -0.55 3.11 2.04 -0.97 -2.68 117.51 119.97 1azl h ILE 22 Ca 0.07 -0.95 0.09 0.00 1.00 0.00 0.00 64.86 65.07 1azl h ILE 22 Cb 0.48 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1azl h ILE 22 CO 0.02 0.32 0.15 0.00 0.00 0.00 0.00 178.15 178.64 1azl h ALA 23 N 0.87 0.66 -0.24 1.87 0.00 -0.89 -1.54 119.26 119.99 1azl h ALA 23 Ca 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1azl h ALA 23 Cb 0.44 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1azl h ALA 23 CO 0.02 -0.26 0.10 0.00 0.00 0.00 0.00 179.25 179.10 1azl h ARG 24 N 0.31 0.37 -0.34 0.00 3.08 -1.22 -1.17 114.38 115.40 1azl h ARG 24 Ca 0.28 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.31 1azl h ARG 24 Cb 0.36 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1azl h ARG 24 CO -0.32 0.41 0.03 1.49 -1.07 0.00 0.00 179.97 180.51 1azl h GLU 25 N 0.24 0.13 -0.66 0.04 4.22 -1.10 -0.92 114.58 116.53 1azl h GLU 25 Ca 0.08 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.45 1azl h GLU 25 Cb 0.18 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1azl h GLU 25 CO -0.01 0.09 0.17 -0.07 -2.18 0.00 0.00 179.01 177.01 1azl h LEU 26 N 0.14 1.00 -0.86 1.64 3.38 -1.17 -2.87 115.31 116.57 1azl h LEU 26 Ca 0.16 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1azl h LEU 26 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1azl h LEU 26 CO -0.24 0.97 0.03 0.00 0.09 0.00 0.00 178.44 179.29 1azl h ALA 27 N 1.07 1.06 0.00 1.53 0.00 -0.82 -1.15 119.26 120.95 1azl h ALA 27 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1azl h ALA 27 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1azl h ALA 27 CO 0.00 0.60 0.00 -0.44 0.00 0.00 0.00 179.25 179.41 1azl h ASP 28 N 0.82 0.00 -0.01 0.00 3.32 -1.08 -2.23 116.42 117.24 1azl h ASP 28 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1azl h ASP 28 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1azl h ASP 28 CO 0.02 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.49 1azl n ALA 29 N -1.97 2.62 -0.16 3.45 0.00 -0.98 -4.97 120.51 118.49 1azl n ALA 29 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1azl n ALA 29 Cb 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1azl n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1azl n GLY 30 N 1.28 0.70 3.89 0.00 0.00 -0.84 -5.07 105.19 105.16 1azl n GLY 30 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1azl n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1azl s TYR 31 N -2.20 3.56 -0.26 1.61 1.51 -0.47 -4.53 117.35 116.57 1azl s TYR 31 Ca 0.00 1.08 -0.11 0.00 -1.01 0.00 0.00 57.07 57.02 1azl s TYR 31 Cb 0.00 -2.62 -0.05 0.00 -0.11 0.00 0.00 41.96 39.18 1azl s TYR 31 CO 0.00 -0.61 0.21 -2.00 -1.11 0.00 0.00 175.55 172.04 1azl s GLU 32 N -5.05 4.00 -0.06 -0.62 2.12 -0.13 -4.27 118.70 114.69 1azl s GLU 32 Ca 0.53 -0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.66 1azl s GLU 32 Cb -0.11 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1azl s GLU 32 CO 0.50 -0.11 -0.22 0.08 -0.54 0.00 0.00 175.26 174.97 1azl s VAL 33 N 1.56 1.87 -0.21 3.70 1.01 -1.26 0.33 120.40 127.39 1azl s VAL 33 Ca 0.08 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1azl s VAL 33 Cb -0.15 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.67 1azl s VAL 33 CO 0.09 0.52 -0.16 -0.62 0.00 0.00 0.00 175.10 174.93 1azl s ASP 34 N 0.02 3.64 -0.20 3.32 -1.08 -0.44 -4.98 116.67 116.95 1azl s ASP 34 Ca -0.07 -0.94 -0.03 0.00 -0.52 0.00 0.00 52.55 50.98 1azl s ASP 34 Cb -0.14 -1.50 -0.01 0.00 -1.46 0.00 0.00 42.92 39.81 1azl s ASP 34 CO 0.04 -0.08 -0.05 -0.55 0.52 0.00 0.00 175.17 175.05 1azl s SER 35 N 1.22 4.32 -0.00 -0.34 0.15 -1.26 -0.86 113.70 116.93 1azl s SER 35 Ca -0.01 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.33 1azl s SER 35 Cb -0.16 -1.73 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1azl s SER 35 CO -0.10 0.03 -0.10 -0.13 1.20 0.00 0.00 173.24 174.14 1azl s ARG 36 N 1.18 0.80 0.18 5.44 0.52 -0.01 -4.97 118.95 122.09 1azl s ARG 36 Ca 0.02 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 1azl s ARG 36 Cb -0.14 -0.77 -0.08 0.00 0.52 0.00 0.00 34.95 34.47 1azl s ARG 36 CO -0.01 0.21 1.26 0.34 0.02 0.00 0.00 175.30 177.12 1azl s ASP 37 N -0.34 6.98 0.50 0.23 -1.08 -1.26 -2.17 116.67 119.53 1azl s ASP 37 Ca 0.03 2.30 0.20 0.00 -0.52 0.00 0.00 52.55 54.56 1azl s ASP 37 Cb -0.04 -2.60 1.26 0.00 -1.46 0.00 0.00 42.92 40.08 1azl s ASP 37 CO -0.00 -0.47 2.03 0.00 0.52 0.00 0.00 175.17 177.25 1azl h ALA 38 N 5.52 2.24 0.00 3.66 0.00 -0.93 -1.56 119.26 128.19 1azl h ALA 38 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1azl h ALA 38 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1azl h ALA 38 CO 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1azl h ALA 39 N 1.79 1.00 -0.30 0.00 0.00 -1.81 -2.95 119.26 116.98 1azl h ALA 39 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1azl h ALA 39 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1azl h ALA 39 CO -0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1azl n SER 40 N -3.02 2.80 -4.76 0.00 3.41 -0.59 -5.01 113.62 106.45 1azl n SER 40 Ca -0.03 -1.90 -0.22 0.00 -0.26 0.00 0.00 58.87 56.47 1azl n SER 40 Cb 0.09 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1azl n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1azl s VAL 41 N -1.00 3.54 -0.15 -3.33 -7.23 -1.12 -5.03 120.40 106.08 1azl s VAL 41 Ca 0.23 -1.60 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1azl s VAL 41 Cb 0.13 -3.09 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 1azl s VAL 41 CO 0.17 -0.26 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.95 1azl s GLU 42 N -3.84 3.64 0.22 4.82 2.56 -1.26 -4.99 118.70 119.85 1azl s GLU 42 Ca 0.36 -0.54 -0.08 0.00 0.00 0.00 0.00 54.97 54.72 1azl s GLU 42 Cb -0.05 -2.88 0.17 0.00 2.00 0.00 0.00 34.13 33.37 1azl s GLU 42 CO 0.23 0.24 1.81 0.00 -0.56 0.00 0.00 175.26 176.99 1azl h ALA 43 N 6.68 1.08 -0.76 6.30 0.00 -1.92 -3.39 119.26 127.24 1azl h ALA 43 Ca -0.31 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 1azl h ALA 43 Cb 1.19 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1azl h ALA 43 CO 0.62 0.66 1.53 0.41 0.00 0.00 0.00 179.25 182.47 1azl n GLY 44 N -0.97 0.11 2.44 0.00 0.00 -1.26 -1.39 105.19 104.12 1azl n GLY 44 Ca 0.08 0.96 -0.16 0.00 0.00 0.00 0.00 46.02 46.91 1azl n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azl n GLY 45 N 6.57 1.37 0.35 -0.02 0.00 -0.12 -4.89 105.19 108.45 1azl n GLY 45 Ca 0.48 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1azl n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azl h LEU 46 N 0.00 0.71 -0.08 0.99 5.85 -1.17 -1.86 115.31 119.75 1azl h LEU 46 Ca -0.33 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1azl h LEU 46 Cb 1.06 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1azl h LEU 46 CO 0.47 0.48 -0.20 0.49 -0.34 0.00 0.00 178.44 179.34 1azl n PHE 47 N -4.46 0.00 -1.67 1.25 3.72 -0.37 -4.95 117.46 110.98 1azl n PHE 47 Ca 0.09 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.02 1azl n PHE 47 Cb 0.15 -0.32 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 1azl n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1azl n GLU 48 N -1.32 2.12 -0.44 -1.08 -0.58 -0.70 -2.31 120.64 116.33 1azl n GLU 48 Ca 0.09 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 1azl n GLU 48 Cb 0.32 -2.56 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 1azl n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1azl n GLY 49 N 3.69 1.00 3.80 0.62 0.00 -1.26 -5.04 105.19 107.99 1azl n GLY 49 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1azl n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1azl s PHE 50 N -3.02 3.52 0.11 1.61 0.08 -0.98 -4.89 117.98 114.42 1azl s PHE 50 Ca 0.00 0.48 0.10 0.00 0.12 0.00 0.00 56.93 57.63 1azl s PHE 50 Cb 0.00 -2.09 0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1azl s PHE 50 CO 0.00 0.51 1.42 -0.44 -0.10 0.00 0.00 175.22 176.61 1azl h ASP 51 N 5.80 0.00 -3.66 1.36 3.32 -1.35 -3.46 116.42 118.43 1azl h ASP 51 Ca -0.48 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.34 1azl h ASP 51 Cb 1.19 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 1azl h ASP 51 CO 0.67 0.78 -0.66 -0.22 -1.72 0.00 0.00 179.24 178.09 1azl s LEU 52 N -6.90 1.49 -0.08 1.55 2.96 -1.06 -4.33 118.68 112.31 1azl s LEU 52 Ca 0.01 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1azl s LEU 52 Cb 0.10 0.17 0.01 0.00 0.50 0.00 0.00 46.19 46.98 1azl s LEU 52 CO 0.78 -0.06 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.91 1azl s VAL 53 N 0.39 1.42 -0.15 1.68 1.01 -0.71 -0.32 120.40 123.73 1azl s VAL 53 Ca -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1azl s VAL 53 Cb -0.04 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1azl s VAL 53 CO -0.01 0.42 -0.20 -0.76 0.00 0.00 0.00 175.10 174.55 1azl s LEU 54 N 0.65 2.22 -0.04 3.92 1.43 -0.01 -2.28 118.68 124.58 1azl s LEU 54 Ca -0.14 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1azl s LEU 54 Cb -0.16 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1azl s LEU 54 CO 0.04 0.08 -0.25 -0.76 0.23 0.00 0.00 176.35 175.69 1azl s LEU 55 N 0.83 2.06 0.02 1.79 1.43 -0.54 -1.77 118.68 122.49 1azl s LEU 55 Ca -0.06 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1azl s LEU 55 Cb -0.15 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1azl s LEU 55 CO -0.02 0.28 0.03 -0.83 0.23 0.00 0.00 176.35 176.05 1azl s GLY 56 N -0.38 0.21 -0.09 -3.19 0.00 -0.39 -0.95 107.32 102.53 1azl s GLY 56 Ca 0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 1azl s GLY 56 CO 0.01 -0.66 0.99 0.00 0.00 0.00 0.00 173.10 173.44 1azl s SER 58 N -1.94 5.68 -0.06 0.00 1.04 -1.19 -3.82 113.70 113.40 1azl s SER 58 Ca 0.03 0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.91 1azl s SER 58 Cb -0.01 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.55 1azl s SER 58 CO -0.05 -0.89 -0.11 -0.89 0.98 0.00 0.00 173.24 172.29 1azl s THR 59 N -2.75 3.37 -0.16 2.02 2.01 -1.21 -2.51 115.64 116.41 1azl s THR 59 Ca 0.51 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1azl s THR 59 Cb -0.10 -2.35 0.05 0.00 0.01 0.00 0.00 72.50 70.10 1azl s THR 59 CO 0.41 0.59 -0.02 0.26 -0.69 0.00 0.00 174.62 175.17 1azl s TRP 60 N -0.74 1.45 0.06 4.92 0.52 0.74 -4.96 118.94 120.93 1azl s TRP 60 Ca 0.11 -0.95 -0.37 0.00 0.02 0.00 0.00 56.10 54.91 1azl s TRP 60 Cb -0.11 -1.20 -0.17 0.00 -1.15 0.00 0.00 33.47 30.84 1azl s TRP 60 CO 0.01 -0.59 1.33 1.55 0.02 0.00 0.00 176.95 179.27 1azl n VAL 61 N 4.94 0.01 -3.48 4.03 3.14 -1.26 -4.31 118.33 121.40 1azl n VAL 61 Ca -0.11 -0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.15 1azl n VAL 61 Cb 0.48 -0.74 -0.03 0.00 -1.06 0.00 0.00 33.84 32.48 1azl n VAL 61 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1azl s ASP 62 N 0.58 -0.51 0.38 6.55 2.15 -1.26 -4.97 116.67 119.59 1azl s ASP 62 Ca 0.86 0.17 0.23 0.00 0.43 0.00 0.00 52.55 54.25 1azl s ASP 62 Cb -1.00 0.50 0.36 0.00 -0.30 0.00 0.00 42.92 42.48 1azl s ASP 62 CO 0.49 -0.75 1.56 0.44 -0.17 0.00 0.00 175.17 176.74 1azl h ASP 63 N 2.24 0.00 0.00 -0.34 3.32 -2.04 -3.42 116.42 116.19 1azl h ASP 63 Ca -0.28 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 1azl h ASP 63 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1azl h ASP 63 CO 0.36 0.00 -0.63 -1.20 -1.72 0.00 0.00 179.24 176.05 1azl n SER 64 N -2.93 1.27 -3.71 6.45 7.64 -1.26 -5.06 113.62 116.01 1azl n SER 64 Ca 0.04 0.19 -0.19 0.00 1.01 0.00 0.00 58.87 59.92 1azl n SER 64 Cb 0.52 -0.45 -0.17 0.00 -1.01 0.00 0.00 64.21 63.10 1azl n SER 64 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1azl s ILE 65 N -2.31 -0.02 -2.25 0.44 2.07 -1.26 -5.04 121.20 112.83 1azl s ILE 65 Ca -0.12 0.33 0.19 0.00 -1.41 0.00 0.00 60.65 59.64 1azl s ILE 65 Cb 0.02 -0.19 0.43 0.00 0.13 0.00 0.00 42.46 42.85 1azl s ILE 65 CO 0.16 0.17 1.47 -0.62 -1.91 0.00 0.00 174.94 174.21 1azl n GLU 66 N 4.97 1.93 -2.45 3.50 4.71 -1.26 -4.67 120.64 127.37 1azl n GLU 66 Ca -0.10 -1.41 -0.34 0.00 -0.01 0.00 0.00 57.16 55.30 1azl n GLU 66 Cb 0.50 -1.40 -0.03 0.00 -1.01 0.00 0.00 31.44 29.50 1azl n GLU 66 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1azl s LEU 67 N -1.42 3.78 0.33 -4.62 1.02 -1.26 -0.19 118.68 116.31 1azl s LEU 67 Ca 0.32 1.89 -0.29 0.00 0.02 0.00 0.00 54.13 56.08 1azl s LEU 67 Cb 0.18 -4.55 -0.12 0.00 0.02 0.00 0.00 46.19 41.72 1azl s LEU 67 CO 0.26 -0.84 1.51 1.67 0.02 0.00 0.00 176.35 178.97 1azl n GLN 68 N -1.18 2.60 -0.35 1.70 0.00 -1.04 -4.74 117.38 114.37 1azl n GLN 68 Ca 0.09 0.92 0.11 0.00 -0.00 0.00 0.00 57.00 58.12 1azl n GLN 68 Cb 0.53 -2.65 0.30 0.00 0.00 0.00 0.00 30.24 28.41 1azl n GLN 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1azl h ASP 69 N 3.83 0.82 0.46 1.69 3.32 -1.94 -1.82 116.42 122.79 1azl h ASP 69 Ca -0.48 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 1azl h ASP 69 Cb 1.24 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1azl h ASP 69 CO 0.72 0.36 -0.31 0.44 -1.72 0.00 0.00 179.24 178.73 1azl h ASP 70 N 0.84 0.00 1.53 6.45 3.32 -1.95 -3.07 116.42 123.54 1azl h ASP 70 Ca 0.54 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.56 1azl h ASP 70 Cb 0.74 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 1azl h ASP 70 CO -0.32 0.31 -0.48 0.15 -1.72 0.00 0.00 179.24 177.18 1azl h PHE 71 N 0.00 0.00 -0.41 4.55 3.57 -1.66 -3.37 116.94 119.62 1azl h PHE 71 Ca -0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1azl h PHE 71 Cb 0.62 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1azl h PHE 71 CO 0.00 0.11 0.15 0.82 -2.23 0.00 0.00 178.31 177.15 1azl h ILE 72 N 0.00 0.88 -1.00 1.41 2.04 -1.45 -1.72 117.51 117.66 1azl h ILE 72 Ca -0.01 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.83 1azl h ILE 72 Cb 1.09 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1azl h ILE 72 CO 0.01 0.06 0.64 -0.65 0.00 0.00 0.00 178.15 178.21 1azl h PRO 73 N 0.31 1.08 -0.01 2.37 0.11 -1.79 0.25 132.00 134.32 1azl h PRO 73 Ca 0.19 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1azl h PRO 73 Cb 0.17 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 1azl h PRO 73 CO -0.19 0.71 -0.00 1.25 -0.21 0.00 0.00 178.00 179.55 1azl h LEU 74 N 1.11 0.03 -0.54 2.35 5.85 -1.71 -2.70 115.31 119.70 1azl h LEU 74 Ca 0.46 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1azl h LEU 74 Cb 0.29 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1azl h LEU 74 CO -0.21 0.40 0.28 0.15 -0.34 0.00 0.00 178.44 178.72 1azl h PHE 75 N -0.35 0.50 0.00 1.25 3.57 -0.93 -0.97 116.94 120.02 1azl h PHE 75 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1azl h PHE 75 Cb 0.39 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1azl h PHE 75 CO 0.06 0.24 0.00 -0.44 -2.23 0.00 0.00 178.31 175.94 1azl h ASP 76 N 0.53 0.00 -0.04 0.41 3.32 -0.43 -2.98 116.42 117.23 1azl h ASP 76 Ca 0.24 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1azl h ASP 76 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1azl h ASP 76 CO -0.17 0.00 -0.24 -1.20 -1.72 0.00 0.00 179.24 175.91 1azl n SER 77 N -2.40 2.15 0.28 6.45 7.64 -0.60 -4.78 113.62 122.36 1azl n SER 77 Ca 0.01 -3.52 0.13 0.00 1.01 0.00 0.00 58.87 56.50 1azl n SER 77 Cb 0.22 -0.50 0.81 0.00 -1.01 0.00 0.00 64.21 63.73 1azl n SER 77 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1azl h LEU 78 N 0.64 0.00 0.00 -3.43 5.85 -1.06 -1.79 115.31 115.52 1azl h LEU 78 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1azl h LEU 78 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1azl h LEU 78 CO 0.04 0.03 0.00 -1.84 -0.34 0.00 0.00 178.44 176.33 1azl n GLU 79 N -3.98 0.07 -0.12 1.25 0.00 -1.26 -2.23 120.64 114.36 1azl n GLU 79 Ca -0.03 0.22 0.10 0.00 0.00 0.00 0.00 57.16 57.45 1azl n GLU 79 Cb 0.11 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.21 1azl n GLU 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1azl n GLU 80 N -1.43 2.16 0.13 3.44 1.02 -0.67 -4.58 120.64 120.70 1azl n GLU 80 Ca 0.05 -2.00 0.12 0.00 -0.02 0.00 0.00 57.16 55.31 1azl n GLU 80 Cb 0.15 -1.42 0.18 0.00 -0.02 0.00 0.00 31.44 30.33 1azl n GLU 80 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1azl h THR 81 N 3.85 0.00 -0.14 2.62 1.35 -1.53 -0.29 112.91 118.77 1azl h THR 81 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1azl h THR 81 Cb 0.87 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1azl h THR 81 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1azl n GLY 82 N 1.22 1.18 0.20 5.82 0.00 -1.26 -1.24 105.19 111.11 1azl n GLY 82 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.01 1azl n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1azl h ALA 83 N 0.00 0.90 -2.56 4.61 0.00 -1.89 -3.42 119.26 116.90 1azl h ALA 83 Ca 0.00 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 1azl h ALA 83 Cb 0.18 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.00 1azl h ALA 83 CO 0.00 0.20 1.03 0.00 0.00 0.00 0.00 179.25 180.48 1azl n GLN 84 N -3.15 2.73 -1.08 0.00 10.64 -1.25 -1.48 117.38 123.79 1azl n GLN 84 Ca 0.03 0.99 -0.03 0.00 -1.83 0.00 0.00 57.00 56.16 1azl n GLN 84 Cb 0.57 -2.84 -0.01 0.00 -0.86 0.00 0.00 30.24 27.10 1azl n GLN 84 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1azl n GLY 85 N 4.02 0.44 3.80 2.61 0.00 -0.31 -4.92 105.19 110.82 1azl n GLY 85 Ca 0.17 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1azl n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1azl s ARG 86 N -1.60 4.33 -0.33 1.61 6.06 -0.55 -4.76 118.95 123.70 1azl s ARG 86 Ca 0.00 0.88 -0.29 0.00 -2.50 0.00 0.00 55.73 53.82 1azl s ARG 86 Cb 0.00 -3.24 0.01 0.00 0.06 0.00 0.00 34.95 31.78 1azl s ARG 86 CO 0.00 0.62 1.16 0.15 -2.50 0.00 0.00 175.30 174.72 1azl s LYS 87 N -1.13 3.98 0.11 5.12 1.02 -1.26 -0.36 119.74 127.22 1azl s LYS 87 Ca 0.31 1.07 0.03 0.00 0.02 0.00 0.00 55.97 57.40 1azl s LYS 87 Cb -0.21 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 1azl s LYS 87 CO 0.21 -1.02 -0.08 0.14 -0.92 0.00 0.00 175.35 173.68 1azl s VAL 88 N 3.97 0.85 -0.01 3.17 -7.23 -0.19 -1.74 120.40 119.23 1azl s VAL 88 Ca 0.49 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.53 1azl s VAL 88 Cb -0.13 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.12 1azl s VAL 88 CO 0.20 -0.82 0.37 0.00 -0.31 0.00 0.00 175.10 174.54 1azl s ALA 89 N -3.47 -0.93 0.22 1.32 0.00 -0.96 -1.54 121.76 116.40 1azl s ALA 89 Ca 0.13 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1azl s ALA 89 Cb 0.04 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 1azl s ALA 89 CO -0.03 -0.31 -0.17 0.00 0.00 0.00 0.00 175.76 175.25 1azl s PHE 91 N -2.63 0.07 -0.18 0.00 -0.71 -0.12 -1.56 117.98 112.84 1azl s PHE 91 Ca 0.23 -0.43 -0.34 0.00 -1.04 0.00 0.00 56.93 55.36 1azl s PHE 91 Cb -0.03 0.18 0.14 0.00 -1.21 0.00 0.00 43.02 42.10 1azl s PHE 91 CO 0.09 -0.79 1.18 0.20 -1.34 0.00 0.00 175.22 174.56 1azl s GLY 92 N -2.90 -0.26 0.15 1.99 0.00 -0.58 -1.91 107.32 103.81 1azl s GLY 92 Ca 0.11 1.72 0.05 0.00 0.00 0.00 0.00 44.72 46.60 1azl s GLY 92 CO -0.04 0.62 0.10 0.00 0.00 0.00 0.00 173.10 173.79 1azl n GLY 94 N -0.18 2.47 3.15 0.00 0.00 0.37 -3.35 105.19 107.65 1azl n GLY 94 Ca -0.09 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1azl n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1azl s ASP 95 N 2.00 -0.14 0.00 1.61 -1.08 -1.26 -2.29 116.67 115.51 1azl s ASP 95 Ca 0.00 0.76 0.14 0.00 -0.52 0.00 0.00 52.55 52.93 1azl s ASP 95 Cb 0.00 0.84 0.72 0.00 -1.46 0.00 0.00 42.92 43.02 1azl s ASP 95 CO 0.00 -0.21 1.32 -1.54 0.52 0.00 0.00 175.17 175.26 1azl n SER 96 N 4.88 0.00 0.11 -0.34 3.41 -1.26 -2.05 113.62 118.38 1azl n SER 96 Ca -0.15 -0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1azl n SER 96 Cb 0.52 -0.20 0.44 0.00 -0.26 0.00 0.00 64.21 64.70 1azl n SER 96 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1azl n SER 97 N -1.20 0.77 -4.89 4.04 3.41 -1.26 -4.78 113.62 109.70 1azl n SER 97 Ca 0.08 0.61 -0.31 0.00 -0.26 0.00 0.00 58.87 58.98 1azl n SER 97 Cb 0.09 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.19 1azl n SER 97 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1azl s TYR 98 N -3.17 3.46 0.09 7.33 1.51 -0.87 -5.02 117.35 120.67 1azl s TYR 98 Ca 0.09 0.64 -0.21 0.00 -1.01 0.00 0.00 57.07 56.58 1azl s TYR 98 Cb 0.11 -2.07 -0.10 0.00 -0.11 0.00 0.00 41.96 39.79 1azl s TYR 98 CO 0.53 0.38 1.62 1.49 -1.11 0.00 0.00 175.55 178.46 1azl h GLU 99 N 2.68 0.25 -4.19 -0.62 4.81 -1.87 -3.28 114.58 112.36 1azl h GLU 99 Ca -0.46 -0.05 -0.76 0.00 -0.13 0.00 0.00 59.36 57.96 1azl h GLU 99 Cb 1.17 -0.04 -0.20 0.00 0.63 0.00 0.00 28.75 30.31 1azl h GLU 99 CO 0.71 0.33 1.23 0.66 -0.73 0.00 0.00 179.01 181.22 1azl n TYR 100 N -4.86 4.56 -1.95 0.92 4.01 -1.26 -4.99 117.16 113.60 1azl n TYR 100 Ca -0.04 -3.35 -0.43 0.00 -0.16 0.00 0.00 57.90 53.92 1azl n TYR 100 Cb 0.12 -1.99 -0.03 0.00 -0.31 0.00 0.00 39.34 37.13 1azl n TYR 100 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1azl s PHE 101 N 0.49 1.80 -1.46 -0.72 5.36 -1.24 -2.69 117.98 119.52 1azl s PHE 101 Ca 0.39 0.32 -0.12 0.00 -0.96 0.00 0.00 56.93 56.57 1azl s PHE 101 Cb -0.02 -4.01 0.08 0.00 -0.34 0.00 0.00 43.02 38.73 1azl s PHE 101 CO -0.01 -3.69 0.75 0.00 -1.46 0.00 0.00 175.22 170.81 1azl h GLY 103 N -1.55 0.09 1.05 0.00 0.00 -1.90 -1.46 103.07 99.29 1azl h GLY 103 Ca -0.52 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 46.84 1azl h GLY 103 CO 0.62 0.02 0.48 0.00 0.00 0.00 0.00 176.54 177.66 1azl h ALA 104 N 1.89 1.68 -0.33 3.60 0.00 -1.86 -1.66 119.26 122.58 1azl h ALA 104 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1azl h ALA 104 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1azl h ALA 104 CO -0.01 0.21 0.10 0.28 0.00 0.00 0.00 179.25 179.84 1azl h VAL 105 N 0.78 1.21 -0.81 0.00 2.07 -1.53 -1.76 116.25 116.20 1azl h VAL 105 Ca 0.31 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1azl h VAL 105 Cb 0.23 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1azl h VAL 105 CO -0.10 0.23 0.43 0.44 0.02 0.00 0.00 177.57 178.58 1azl h ASP 106 N 0.38 1.03 -0.22 0.57 3.32 -1.48 -1.08 116.42 118.93 1azl h ASP 106 Ca 0.11 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1azl h ASP 106 Cb 0.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1azl h ASP 106 CO -0.00 0.85 0.13 0.00 -1.72 0.00 0.00 179.24 178.49 1azl h ALA 107 N 1.23 0.29 -0.29 3.45 0.00 -1.04 -1.36 119.26 121.53 1azl h ALA 107 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1azl h ALA 107 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1azl h ALA 107 CO -0.04 -0.19 -0.13 0.82 0.00 0.00 0.00 179.25 179.71 1azl h ILE 108 N 0.26 1.29 -0.54 0.00 2.04 -1.18 -2.44 117.51 116.94 1azl h ILE 108 Ca 0.08 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1azl h ILE 108 Cb 0.05 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1azl h ILE 108 CO -0.01 0.39 0.31 -0.33 0.00 0.00 0.00 178.15 178.50 1azl h GLU 109 N 0.34 0.74 -0.42 2.37 5.08 -1.07 -1.51 114.58 120.11 1azl h GLU 109 Ca 0.07 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1azl h GLU 109 Cb 0.64 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1azl h GLU 109 CO 0.04 0.55 0.11 1.49 -1.00 0.00 0.00 179.01 180.20 1azl h GLU 110 N 0.72 0.68 -0.52 2.33 4.81 -1.24 -1.39 114.58 119.97 1azl h GLU 110 Ca 0.19 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1azl h GLU 110 Cb 0.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1azl h GLU 110 CO -0.03 0.68 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.64 1azl h LYS 111 N 0.55 0.97 -0.71 1.92 3.64 -1.27 -2.04 116.57 119.63 1azl h LYS 111 Ca 0.13 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1azl h LYS 111 Cb 0.31 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1azl h LYS 111 CO 0.00 1.02 0.40 -0.07 -2.27 0.00 0.00 179.45 178.52 1azl h LEU 112 N 0.84 0.88 -0.49 5.20 3.38 -1.16 -1.90 115.31 122.06 1azl h LEU 112 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1azl h LEU 112 Cb 0.62 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1azl h LEU 112 CO 0.04 0.71 0.32 0.11 0.09 0.00 0.00 178.44 179.71 1azl h LYS 113 N 0.97 0.64 0.00 1.13 1.57 -1.18 0.12 116.57 119.82 1azl h LYS 113 Ca 0.25 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1azl h LYS 113 Cb 0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1azl h LYS 113 CO -0.04 0.43 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.26 1azl h ASN 114 N 0.66 0.00 -0.04 0.86 2.35 -0.89 -2.47 115.58 116.05 1azl h ASN 114 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1azl h ASN 114 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1azl h ASN 114 CO -0.04 0.10 0.00 0.18 -1.65 0.00 0.00 177.43 176.02 1azl n LEU 115 N -4.15 1.77 0.00 1.61 4.77 -0.76 -4.96 117.00 115.29 1azl n LEU 115 Ca -0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1azl n LEU 115 Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1azl n LEU 115 CO 0.33 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1azl n GLY 116 N 1.20 0.55 3.87 -0.72 0.00 -0.93 -3.76 105.19 105.40 1azl n GLY 116 Ca 0.18 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1azl n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1azl s ALA 117 N -2.00 2.62 -0.37 4.61 0.00 -0.01 -1.16 121.76 125.44 1azl s ALA 117 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1azl s ALA 117 Cb 0.00 -3.02 0.05 0.00 0.00 0.00 0.00 23.12 20.15 1azl s ALA 117 CO 0.00 -1.50 0.18 -2.00 0.00 0.00 0.00 175.76 172.44 1azl s GLU 118 N -5.39 2.62 -0.42 0.00 2.12 0.51 -4.63 118.70 113.51 1azl s GLU 118 Ca 0.60 -1.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 1azl s GLU 118 Cb -0.12 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.67 1azl s GLU 118 CO 0.51 -0.79 1.32 0.42 -0.54 0.00 0.00 175.26 176.18 1azl s ILE 119 N 1.42 4.02 -0.30 -3.70 -1.09 -1.26 -1.02 121.20 119.27 1azl s ILE 119 Ca 0.01 1.06 0.26 0.00 -2.23 0.00 0.00 60.65 59.74 1azl s ILE 119 Cb -0.21 -4.32 0.35 0.00 -1.58 0.00 0.00 42.46 36.70 1azl s ILE 119 CO 0.03 -0.80 1.70 0.58 -1.23 0.00 0.00 174.94 175.22 1azl h VAL 120 N 6.34 0.01 -2.14 2.92 2.07 -1.67 -3.47 116.25 120.32 1azl h VAL 120 Ca -0.26 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1azl h VAL 120 Cb 1.09 1.89 -0.18 0.00 -1.52 0.00 0.00 31.29 32.56 1azl h VAL 120 CO 1.09 0.01 0.23 -1.58 0.02 0.00 0.00 177.57 177.34 1azl s GLN 121 N -3.32 1.05 0.60 1.57 2.00 -1.26 -4.86 119.66 115.44 1azl s GLN 121 Ca 0.06 0.12 -0.18 0.00 -2.00 0.00 0.00 55.36 53.35 1azl s GLN 121 Cb 0.06 0.49 -0.03 0.00 0.80 0.00 0.00 33.01 34.33 1azl s GLN 121 CO 0.64 -0.36 1.20 -0.51 -0.50 0.00 0.00 175.29 175.76 1azl s ASP 122 N -1.47 5.17 0.60 6.67 1.01 -1.26 -4.70 116.67 122.68 1azl s ASP 122 Ca -0.08 2.36 -0.20 0.00 0.71 0.00 0.00 52.55 55.34 1azl s ASP 122 Cb -0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1azl s ASP 122 CO 0.05 -1.61 1.28 0.61 0.21 0.00 0.00 175.17 175.71 1azl n GLY 123 N 0.44 0.53 3.64 0.21 0.00 -1.26 -4.87 105.19 103.88 1azl n GLY 123 Ca 0.13 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1azl n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1azl s LEU 124 N -3.60 4.10 -0.27 0.99 2.96 -0.60 -4.99 118.68 117.26 1azl s LEU 124 Ca 0.77 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 55.51 1azl s LEU 124 Cb -0.40 -2.95 0.04 0.00 0.50 0.00 0.00 46.19 43.37 1azl s LEU 124 CO 0.45 -0.37 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.92 1azl s ARG 125 N 2.38 2.54 -0.19 1.98 0.52 -1.26 -1.52 118.95 123.40 1azl s ARG 125 Ca 0.29 -1.17 -0.08 0.00 -0.52 0.00 0.00 55.73 54.25 1azl s ARG 125 Cb -0.16 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1azl s ARG 125 CO 0.09 -0.52 0.08 0.42 0.02 0.00 0.00 175.30 175.39 1azl s ILE 126 N 1.24 4.92 -0.24 1.52 1.01 -0.61 -5.01 121.20 124.03 1azl s ILE 126 Ca -0.04 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 1azl s ILE 126 Cb -0.18 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1azl s ILE 126 CO -0.04 0.45 0.16 -0.62 0.00 0.00 0.00 174.94 174.90 1azl s ASP 127 N 0.40 6.11 0.09 3.58 2.15 -1.26 -0.48 116.67 127.27 1azl s ASP 127 Ca 0.04 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1azl s ASP 127 Cb -0.12 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1azl s ASP 127 CO -0.00 0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 1azl n GLY 128 N 4.30 -0.66 3.64 2.66 0.00 -0.97 -4.81 105.19 109.35 1azl n GLY 128 Ca -0.15 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1azl n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1azl s ASP 129 N -4.00 6.55 0.54 1.61 2.15 -1.26 -4.78 116.67 117.48 1azl s ASP 129 Ca 0.00 1.76 0.29 0.00 0.43 0.00 0.00 52.55 55.03 1azl s ASP 129 Cb 0.00 -2.53 1.56 0.00 -0.30 0.00 0.00 42.92 41.64 1azl s ASP 129 CO 0.00 -1.09 2.12 1.55 -0.17 0.00 0.00 175.17 177.57 1azl h PRO 130 N 9.98 0.00 0.00 4.34 0.13 -1.88 -1.89 132.00 142.68 1azl h PRO 130 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1azl h PRO 130 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1azl h PRO 130 CO 0.99 0.09 -0.04 0.00 -0.23 0.00 0.00 178.00 178.81 1azl h ARG 131 N 0.00 0.00 0.00 0.86 3.08 -1.94 0.12 114.38 116.50 1azl h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1azl h ARG 131 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1azl h ARG 131 CO 0.01 0.04 -0.23 0.00 -1.07 0.00 0.00 179.97 178.72 1azl n ALA 132 N -2.31 2.86 -1.10 0.04 0.00 -0.71 -3.62 120.51 115.67 1azl n ALA 132 Ca -0.03 -0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.26 1azl n ALA 132 Cb 0.13 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.51 1azl n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1azl n ALA 133 N -1.52 3.31 -0.35 0.00 0.00 0.00 -4.74 120.51 117.21 1azl n ALA 133 Ca 0.06 -2.50 0.13 0.00 0.00 0.00 0.00 53.44 51.13 1azl n ALA 133 Cb 0.34 -0.73 0.32 0.00 0.00 0.00 0.00 19.45 19.38 1azl n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1azl h ARG 134 N 1.59 0.71 -0.59 0.00 2.43 -1.54 -1.60 114.38 115.37 1azl h ARG 134 Ca 0.06 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1azl h ARG 134 Cb 1.52 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1azl h ARG 134 CO 0.27 0.47 0.38 -0.44 -1.51 0.00 0.00 179.97 179.14 1azl h ASP 135 N 0.73 0.64 -0.45 -3.80 3.32 -1.91 -2.13 116.42 112.82 1azl h ASP 135 Ca 0.58 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.59 1azl h ASP 135 Cb 0.92 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1azl h ASP 135 CO -0.39 0.45 0.16 0.44 -1.72 0.00 0.00 179.24 178.18 1azl h ASP 136 N 0.76 0.64 0.35 6.45 5.19 -1.70 -0.43 116.42 127.68 1azl h ASP 136 Ca 0.23 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1azl h ASP 136 Cb -0.04 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1azl h ASP 136 CO -0.07 0.65 -0.17 0.40 -3.12 0.00 0.00 179.24 176.93 1azl h ILE 137 N 0.59 0.67 -0.49 0.35 2.04 -1.02 -0.52 117.51 119.13 1azl h ILE 137 Ca 0.15 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1azl h ILE 137 Cb 0.23 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1azl h ILE 137 CO -0.01 0.03 0.18 0.58 0.00 0.00 0.00 178.15 178.93 1azl h VAL 138 N -0.54 0.84 -0.65 1.67 2.07 -1.40 -0.14 116.25 118.11 1azl h VAL 138 Ca -0.05 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1azl h VAL 138 Cb 0.40 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1azl h VAL 138 CO 0.08 0.07 0.37 1.23 0.02 0.00 0.00 177.57 179.34 1azl h GLY 139 N 0.36 0.95 0.96 2.17 0.00 -0.98 -1.38 103.07 105.14 1azl h GLY 139 Ca 0.23 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1azl h GLY 139 CO -0.23 0.40 0.08 -0.25 0.00 0.00 0.00 176.54 176.54 1azl h TRP 140 N 0.88 0.76 -0.94 5.60 7.01 -0.38 -1.53 115.95 127.35 1azl h TRP 140 Ca 0.23 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 61.15 1azl h TRP 140 Cb 0.01 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 26.80 1azl h TRP 140 CO -0.01 0.72 0.62 0.00 -2.79 0.00 0.00 178.44 176.98 1azl h ALA 141 N 0.95 1.37 -0.51 2.65 0.00 -0.87 -0.31 119.26 122.55 1azl h ALA 141 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1azl h ALA 141 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1azl h ALA 141 CO 0.01 0.55 0.19 1.25 0.00 0.00 0.00 179.25 181.25 1azl h HIS 142 N 1.21 0.78 -0.14 0.00 -0.00 -0.88 -1.96 115.15 114.18 1azl h HIS 142 Ca 0.36 -0.07 -0.14 0.00 -0.00 0.00 0.00 60.37 60.52 1azl h HIS 142 Cb -0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 1azl h HIS 142 CO -0.00 0.66 -0.52 -0.44 -0.00 0.00 0.00 177.93 177.63 1azl h ASP 143 N 0.68 0.43 -0.47 3.26 3.32 -0.78 -2.80 116.42 120.06 1azl h ASP 143 Ca 0.17 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1azl h ASP 143 Cb 0.22 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1azl h ASP 143 CO -0.01 0.88 0.05 0.58 -1.72 0.00 0.00 179.24 179.02 1azl h VAL 144 N 0.31 1.25 -0.53 -1.35 2.07 -0.85 -2.75 116.25 114.41 1azl h VAL 144 Ca 0.01 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1azl h VAL 144 Cb 1.03 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1azl h VAL 144 CO 0.09 0.34 0.35 0.03 0.02 0.00 0.00 177.57 178.40 1azl h ARG 145 N 0.67 0.67 0.00 1.57 3.08 -1.20 -2.14 114.38 117.03 1azl h ARG 145 Ca 0.14 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1azl h ARG 145 Cb 0.43 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1azl h ARG 145 CO 0.01 0.44 -0.11 0.78 -1.07 0.00 0.00 179.97 180.03 1azl h GLY 146 N 0.69 0.00 0.35 0.04 0.00 -1.25 -2.96 103.07 99.93 1azl h GLY 146 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1azl h GLY 146 CO -0.04 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.00 1azl n ALA 147 N -2.21 3.58 1.26 3.60 0.00 -0.81 -5.10 120.51 120.83 1azl n ALA 147 Ca -0.01 -0.44 0.13 0.00 0.00 0.00 0.00 53.44 53.12 1azl n ALA 147 Cb 0.27 -1.03 0.32 0.00 0.00 0.00 0.00 19.45 19.01 1azl n ALA 147 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61