#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dro s SER 2 N 0.00 0.78 -0.54 1.61 1.04 -1.26 -5.05 113.70 110.28 1dro s SER 2 Ca 0.00 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1dro s SER 2 Cb 0.00 0.02 0.44 0.00 0.10 0.00 0.00 66.02 66.58 1dro s SER 2 CO 0.00 -0.17 1.64 0.61 0.98 0.00 0.00 173.24 176.31 1dro n GLY 3 N 1.71 6.02 3.83 7.32 0.00 -1.26 -4.98 105.19 117.83 1dro n GLY 3 Ca -0.21 -2.51 -0.38 0.00 0.00 0.00 0.00 46.02 42.92 1dro n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dro s THR 4 N -4.88 5.17 0.00 2.61 2.01 -1.26 -5.05 115.64 114.24 1dro s THR 4 Ca 0.56 0.68 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1dro s THR 4 Cb 0.45 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1dro s THR 4 CO -0.08 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1dro n GLY 5 N 2.10 2.68 0.00 4.40 0.00 -1.26 -5.08 105.19 108.03 1dro n GLY 5 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1dro n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dro n ALA 6 N -3.00 0.00 0.00 4.61 0.00 -1.26 -5.06 120.51 115.80 1dro n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dro n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1dro n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dro n GLY 7 N -0.12 -0.62 0.00 0.00 0.00 -1.26 -5.18 105.19 98.00 1dro n GLY 7 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1dro n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dro n GLU 8 N 0.00 1.68 0.00 1.61 1.02 -1.26 -5.15 120.64 118.53 1dro n GLU 8 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1dro n GLU 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1dro n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dro n GLY 9 N 2.09 -3.58 3.13 0.62 0.00 -1.26 -5.02 105.19 101.17 1dro n GLY 9 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 1dro n GLY 9 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1dro s HIS 10 N 0.00 0.42 -0.28 1.61 -3.43 -1.14 -4.98 115.29 107.49 1dro s HIS 10 Ca 0.00 -0.93 -0.16 0.00 -0.80 0.00 0.00 55.06 53.16 1dro s HIS 10 Cb 0.00 -0.29 0.11 0.00 -1.43 0.00 0.00 32.58 30.97 1dro s HIS 10 CO 0.00 -0.44 0.83 -1.83 -2.00 0.00 0.00 174.74 171.31 1dro s GLU 11 N -3.91 0.55 0.16 -0.38 -1.05 -1.26 -2.23 118.70 110.58 1dro s GLU 11 Ca 0.07 0.94 -0.06 0.00 -0.15 0.00 0.00 54.97 55.77 1dro s GLU 11 Cb 0.07 0.12 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1dro s GLU 11 CO -0.10 -0.11 0.32 0.41 0.95 0.00 0.00 175.26 176.73 1dro n GLY 12 N 3.95 1.58 3.28 -3.83 0.00 -1.07 -5.01 105.19 104.09 1dro n GLY 12 Ca -0.19 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 1dro n GLY 12 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dro s TYR 13 N -6.22 3.24 0.00 1.61 1.13 -1.26 -2.29 117.35 113.56 1dro s TYR 13 Ca 0.06 -1.36 0.00 0.00 -1.41 0.00 0.00 57.07 54.36 1dro s TYR 13 Cb -0.02 -2.28 0.00 0.00 -1.10 0.00 0.00 41.96 38.56 1dro s TYR 13 CO 0.05 -0.71 0.00 1.33 -2.51 0.00 0.00 175.55 173.71 1dro n VAL 14 N 4.82 0.00 -2.97 -3.49 0.24 -1.09 -4.72 118.33 111.12 1dro n VAL 14 Ca -0.13 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.74 1dro n VAL 14 Cb 0.45 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 1dro n VAL 14 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1dro s THR 15 N -2.81 4.55 -0.05 3.34 2.01 -0.95 -2.28 115.64 119.45 1dro s THR 15 Ca 0.00 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1dro s THR 15 Cb 0.00 -4.61 0.01 0.00 0.01 0.00 0.00 72.50 67.91 1dro s THR 15 CO 0.00 -1.33 -0.08 -0.60 -0.69 0.00 0.00 174.62 171.92 1dro s ARG 16 N 3.41 1.17 0.00 4.92 3.52 -1.07 -1.05 118.95 129.85 1dro s ARG 16 Ca 0.18 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1dro s ARG 16 Cb -0.19 -1.05 0.00 0.00 -1.56 0.00 0.00 34.95 32.15 1dro s ARG 16 CO 0.07 0.01 0.00 1.17 -0.81 0.00 0.00 175.30 175.74 1dro n LYS 17 N 3.78 3.23 -1.14 5.12 0.00 -0.99 -2.61 118.16 125.55 1dro n LYS 17 Ca -0.23 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.07 1dro n LYS 17 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1dro n LYS 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1dro n HIS 18 N 0.00 -0.21 -3.65 5.64 1.44 -1.25 -4.31 115.22 112.89 1dro n HIS 18 Ca 0.00 -0.23 -0.01 0.00 -2.01 0.00 0.00 57.72 55.47 1dro n HIS 18 Cb 0.00 0.52 -0.04 0.00 0.12 0.00 0.00 29.99 30.59 1dro n HIS 18 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1dro s GLU 19 N 0.01 0.02 0.00 -1.40 2.02 -0.70 -4.61 118.70 114.03 1dro s GLU 19 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1dro s GLU 19 Cb 0.04 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.28 1dro s GLU 19 CO -0.01 -0.01 0.00 0.91 0.02 0.00 0.00 175.26 176.17 1dro n TRP 20 N 0.50 0.00 -2.84 1.61 8.01 -1.26 -4.67 117.44 118.79 1dro n TRP 20 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1dro n TRP 20 Cb 0.59 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.89 1dro n TRP 20 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1dro n ASP 21 N 0.00 1.66 -1.88 -0.99 8.00 -1.26 -3.95 116.55 118.12 1dro n ASP 21 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1dro n ASP 21 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1dro n ASP 21 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1dro n SER 22 N 0.00 -0.34 0.00 -2.24 2.88 -1.26 -5.02 113.62 107.65 1dro n SER 22 Ca 0.00 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1dro n SER 22 Cb 0.00 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1dro n SER 22 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1dro n THR 23 N -0.46 0.00 -2.99 2.46 -2.24 -1.26 -5.07 114.28 104.72 1dro n THR 23 Ca -0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1dro n THR 23 Cb 0.86 -0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1dro n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1dro s THR 24 N 0.00 -0.97 -0.51 4.28 2.01 -1.26 -5.09 115.64 114.09 1dro s THR 24 Ca 0.00 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 1dro s THR 24 Cb 0.00 -0.03 0.13 0.00 0.01 0.00 0.00 72.50 72.62 1dro s THR 24 CO 0.00 -0.02 0.38 -0.75 -0.69 0.00 0.00 174.62 173.54 1dro s LYS 25 N 1.34 2.56 -0.46 4.92 2.20 -1.26 -4.94 119.74 124.09 1dro s LYS 25 Ca 0.23 -1.91 0.07 0.00 -0.36 0.00 0.00 55.97 54.00 1dro s LYS 25 Cb -0.02 -3.93 0.19 0.00 -1.51 0.00 0.00 37.83 32.55 1dro s LYS 25 CO -0.06 -1.20 0.70 0.21 -0.36 0.00 0.00 175.35 174.64 1dro s LYS 26 N 1.10 0.93 -0.06 4.03 2.20 -1.26 -4.99 119.74 121.70 1dro s LYS 26 Ca 0.08 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 1dro s LYS 26 Cb -0.24 0.02 0.14 0.00 -1.51 0.00 0.00 37.83 36.23 1dro s LYS 26 CO -0.02 -1.22 1.11 0.00 -0.36 0.00 0.00 175.35 174.85 1dro n ALA 27 N 3.58 3.39 -3.00 3.13 0.00 -1.26 -5.13 120.51 121.22 1dro n ALA 27 Ca 0.15 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1dro n ALA 27 Cb 0.57 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1dro n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dro n SER 28 N -0.16 0.00 -3.45 0.00 7.64 -1.26 -5.10 113.62 111.29 1dro n SER 28 Ca -0.20 -0.89 -0.28 0.00 1.01 0.00 0.00 58.87 58.51 1dro n SER 28 Cb 0.80 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.89 1dro n SER 28 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1dro s ASN 29 N -0.66 2.04 -0.30 6.43 0.01 -1.26 -5.08 114.94 116.12 1dro s ASN 29 Ca 0.00 -2.89 -0.13 0.00 -0.71 0.00 0.00 52.86 49.13 1dro s ASN 29 Cb 0.00 -0.51 0.17 0.00 0.41 0.00 0.00 41.25 41.32 1dro s ASN 29 CO 0.00 -0.20 0.97 -0.60 -1.51 0.00 0.00 177.10 175.76 1dro s ARG 30 N 0.23 0.29 0.00 -0.60 3.52 -1.26 -5.12 118.95 116.00 1dro s ARG 30 Ca 0.28 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1dro s ARG 30 Cb -0.04 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1dro s ARG 30 CO -0.14 -0.19 0.00 0.45 -0.81 0.00 0.00 175.30 174.61 1dro n SER 31 N 5.19 0.00 -4.64 -2.12 2.88 -1.26 -5.08 113.62 108.59 1dro n SER 31 Ca -0.07 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.04 1dro n SER 31 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1dro n SER 31 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1dro s TRP 32 N 1.74 1.22 -0.36 0.66 0.52 -1.26 -4.79 118.94 116.68 1dro s TRP 32 Ca 0.00 -0.10 -0.13 0.00 0.02 0.00 0.00 56.10 55.89 1dro s TRP 32 Cb 0.00 -4.13 -0.00 0.00 -1.15 0.00 0.00 33.47 28.18 1dro s TRP 32 CO 0.00 -5.06 0.24 -0.51 0.02 0.00 0.00 176.95 171.64 1dro s ASP 33 N 5.90 5.99 -0.92 2.95 1.11 -1.07 -4.84 116.67 125.78 1dro s ASP 33 Ca 0.93 -0.62 -0.24 0.00 0.18 0.00 0.00 52.55 52.80 1dro s ASP 33 Cb -0.39 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1dro s ASP 33 CO 0.39 -0.30 1.91 -0.75 1.18 0.00 0.00 175.17 177.60 1dro s LYS 34 N 1.68 2.64 0.06 8.23 2.20 -1.26 -2.59 119.74 130.70 1dro s LYS 34 Ca 0.05 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1dro s LYS 34 Cb -0.18 -5.09 -0.00 0.00 -1.51 0.00 0.00 37.83 31.05 1dro s LYS 34 CO 0.10 -3.29 0.02 1.33 -0.36 0.00 0.00 175.35 173.14 1dro n VAL 35 N 7.80 0.00 -3.41 4.02 0.24 -0.97 -4.93 118.33 121.08 1dro n VAL 35 Ca 0.40 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 1dro n VAL 35 Cb 0.47 0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 1dro n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dro n TYR 36 N -0.12 4.91 -3.00 6.34 4.19 0.17 -2.66 117.16 126.98 1dro n TYR 36 Ca -0.01 -3.93 -0.41 0.00 3.31 0.00 0.00 57.90 56.86 1dro n TYR 36 Cb 0.08 -1.54 -0.05 0.00 0.49 0.00 0.00 39.34 38.32 1dro n TYR 36 CO 0.00 0.00 0.00 1.41 0.91 0.00 0.00 176.86 179.18 1dro s MET 37 N -1.39 4.08 -0.80 2.98 1.75 -0.97 -2.67 119.30 122.28 1dro s MET 37 Ca 0.30 0.65 -0.03 0.00 -1.25 0.00 0.00 55.69 55.36 1dro s MET 37 Cb -0.09 -3.67 0.20 0.00 2.84 0.00 0.00 34.83 34.11 1dro s MET 37 CO -0.09 -0.52 0.66 0.00 -0.65 0.00 0.00 175.02 174.43 1dro s ALA 38 N 2.72 4.00 0.32 4.11 0.00 0.14 -2.59 121.76 130.48 1dro s ALA 38 Ca 0.30 -3.59 -0.05 0.00 0.00 0.00 0.00 51.96 48.62 1dro s ALA 38 Cb -0.15 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1dro s ALA 38 CO 0.09 -2.15 0.48 0.00 0.00 0.00 0.00 175.76 174.19 1dro s ALA 39 N -0.76 0.50 0.00 0.00 0.00 -0.95 -0.63 121.76 119.93 1dro s ALA 39 Ca 0.23 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1dro s ALA 39 Cb -0.12 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.12 1dro s ALA 39 CO -0.09 -0.81 0.00 0.36 0.00 0.00 0.00 175.76 175.23 1dro n LYS 40 N -0.52 0.00 0.15 0.00 2.85 -0.78 -2.89 118.16 116.98 1dro n LYS 40 Ca -0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1dro n LYS 40 Cb 0.62 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.92 1dro n LYS 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1dro h ALA 41 N 2.00 -0.38 -0.31 0.58 0.00 -1.82 -3.34 119.26 115.99 1dro h ALA 41 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1dro h ALA 41 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1dro h ALA 41 CO 0.00 -0.59 -0.08 0.78 0.00 0.00 0.00 179.25 179.36 1dro h GLY 42 N -0.62 0.22 -4.93 0.00 0.00 -1.83 -0.28 103.07 95.63 1dro h GLY 42 Ca -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1dro h GLY 42 CO 0.06 -0.12 0.15 0.50 0.00 0.00 0.00 176.54 177.14 1dro s ARG 43 N -6.21 0.84 0.46 4.80 0.52 -1.25 -0.08 118.95 118.03 1dro s ARG 43 Ca -0.14 0.91 -0.08 0.00 -0.52 0.00 0.00 55.73 55.90 1dro s ARG 43 Cb 0.13 0.41 -0.05 0.00 0.52 0.00 0.00 34.95 35.95 1dro s ARG 43 CO 0.70 -0.12 0.81 0.42 0.02 0.00 0.00 175.30 177.13 1dro s ILE 44 N 0.24 4.82 -0.26 1.52 1.09 -0.67 -1.87 121.20 126.07 1dro s ILE 44 Ca -0.01 0.49 -0.07 0.00 -1.10 0.00 0.00 60.65 59.96 1dro s ILE 44 Cb -0.05 -3.80 0.13 0.00 -1.06 0.00 0.00 42.46 37.68 1dro s ILE 44 CO 0.01 -0.73 0.54 -0.44 -0.10 0.00 0.00 174.94 174.22 1dro s SER 45 N -3.66 -0.76 -0.09 3.58 0.01 0.20 -2.61 113.70 110.36 1dro s SER 45 Ca 0.50 1.15 -0.00 0.00 1.31 0.00 0.00 55.95 58.91 1dro s SER 45 Cb -0.10 1.86 -0.03 0.00 0.21 0.00 0.00 66.02 67.96 1dro s SER 45 CO 0.39 -0.24 -0.06 -0.36 0.41 0.00 0.00 173.24 173.39 1dro s PHE 46 N 2.77 2.97 -0.27 2.43 0.08 -1.10 -0.68 117.98 124.17 1dro s PHE 46 Ca 0.01 -0.07 -0.20 0.00 0.12 0.00 0.00 56.93 56.80 1dro s PHE 46 Cb -0.13 -1.78 0.08 0.00 -0.57 0.00 0.00 43.02 40.62 1dro s PHE 46 CO -0.17 0.23 0.70 1.52 -0.10 0.00 0.00 175.22 177.40 1dro s TYR 47 N -0.50 -0.95 -0.13 0.36 1.13 -1.09 -4.48 117.35 111.69 1dro s TYR 47 Ca 0.08 2.04 -0.27 0.00 -1.41 0.00 0.00 57.07 57.51 1dro s TYR 47 Cb -0.12 0.48 -0.24 0.00 -1.10 0.00 0.00 41.96 40.99 1dro s TYR 47 CO 0.02 -0.47 0.73 -0.22 -2.51 0.00 0.00 175.55 173.11 1dro h LYS 48 N 6.19 -0.00 -1.74 -3.49 1.63 -1.90 0.49 116.57 117.74 1dro h LYS 48 Ca -0.30 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.59 1dro h LYS 48 Cb 1.20 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.61 1dro h LYS 48 CO 0.12 0.89 0.05 0.16 -3.45 0.00 0.00 179.45 177.22 1dro s ASP 49 N -6.13 -0.89 -0.02 4.20 1.47 -1.26 -3.66 116.67 110.37 1dro s ASP 49 Ca -0.17 1.30 -0.00 0.00 1.18 0.00 0.00 52.55 54.86 1dro s ASP 49 Cb -0.03 1.78 -0.01 0.00 -0.34 0.00 0.00 42.92 44.33 1dro s ASP 49 CO 0.63 -0.19 0.36 0.00 0.68 0.00 0.00 175.17 176.65 1dro n GLN 50 N 4.80 0.00 -0.00 2.11 0.00 -1.26 -4.64 117.38 118.39 1dro n GLN 50 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 57.00 56.83 1dro n GLN 50 Cb 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 30.24 30.43 1dro n GLN 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1dro n LYS 51 N 1.52 0.16 -0.20 2.61 2.85 -1.26 -2.54 118.16 121.29 1dro n LYS 51 Ca 0.02 0.06 -0.08 0.00 -1.05 0.00 0.00 58.31 57.26 1dro n LYS 51 Cb 0.16 -0.70 0.05 0.00 -0.65 0.00 0.00 35.03 33.89 1dro n LYS 51 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1dro h GLY 52 N -0.30 1.13 0.50 2.58 0.00 -1.72 -1.91 103.07 103.35 1dro h GLY 52 Ca 0.00 -0.80 0.10 0.00 0.00 0.00 0.00 47.33 46.63 1dro h GLY 52 CO 0.00 0.74 0.43 -0.97 0.00 0.00 0.00 176.54 176.74 1dro h TYR 53 N 0.96 0.78 -0.85 5.60 0.05 -1.07 1.18 116.97 123.62 1dro h TYR 53 Ca 0.18 0.03 0.15 0.00 0.05 0.00 0.00 58.73 59.14 1dro h TYR 53 Cb 0.52 -0.23 -0.15 0.00 1.01 0.00 0.00 36.73 37.88 1dro h TYR 53 CO 0.04 0.30 -0.30 -0.22 -1.05 0.00 0.00 178.16 176.93 1dro h LYS 54 N 0.72 -0.04 0.00 4.88 3.64 -1.06 -3.30 116.57 121.41 1dro h LYS 54 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1dro h LYS 54 Cb 0.38 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1dro h LYS 54 CO -0.26 -0.02 0.00 0.45 -2.27 0.00 0.00 179.45 177.35 1dro n SER 55 N -5.51 0.00 -4.00 4.20 2.88 -0.10 -4.92 113.62 106.16 1dro n SER 55 Ca 0.10 0.40 -0.26 0.00 -1.33 0.00 0.00 58.87 57.79 1dro n SER 55 Cb 0.41 -0.47 -0.17 0.00 -0.75 0.00 0.00 64.21 63.23 1dro n SER 55 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1dro s ASN 56 N -3.02 1.94 0.00 -3.46 0.01 0.39 -5.03 114.94 105.77 1dro s ASN 56 Ca 0.00 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 51.88 1dro s ASN 56 Cb 0.00 -0.86 0.27 0.00 0.41 0.00 0.00 41.25 41.07 1dro s ASN 56 CO 0.00 -0.00 0.76 -0.81 -1.51 0.00 0.00 177.10 175.54 1dro n PRO 57 N 4.10 0.14 -0.10 -0.60 -0.04 -1.25 -1.47 135.00 135.78 1dro n PRO 57 Ca -0.20 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.13 1dro n PRO 57 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 1dro n PRO 57 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1dro n GLU 58 N -1.01 0.67 -2.90 0.54 0.28 -1.26 -4.89 120.64 112.08 1dro n GLU 58 Ca 0.03 0.09 -0.26 0.00 -0.16 0.00 0.00 57.16 56.87 1dro n GLU 58 Cb 0.02 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.33 1dro n GLU 58 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dro s LEU 59 N -6.03 3.72 0.00 -1.84 2.01 -0.54 -4.93 118.68 111.07 1dro s LEU 59 Ca -0.20 0.67 0.00 0.00 0.01 0.00 0.00 54.13 54.61 1dro s LEU 59 Cb 0.07 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.70 1dro s LEU 59 CO 0.74 -0.55 0.00 0.35 1.01 0.00 0.00 176.35 177.90 1dro n THR 60 N -2.11 0.00 -1.64 5.49 -2.24 -1.26 -0.97 114.28 111.55 1dro n THR 60 Ca -0.01 0.00 -0.61 0.00 -2.27 0.00 0.00 64.05 61.16 1dro n THR 60 Cb 0.56 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 1dro n THR 60 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1dro n PHE 61 N 0.00 1.41 -1.72 4.78 -0.00 -1.26 -3.91 117.46 116.76 1dro n PHE 61 Ca 0.00 0.95 -0.62 0.00 -0.00 0.00 0.00 57.45 57.78 1dro n PHE 61 Cb 0.00 -2.24 -0.08 0.00 -0.00 0.00 0.00 39.48 37.16 1dro n PHE 61 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1dro n ARG 62 N 3.22 0.58 -0.21 -4.13 0.63 -1.26 0.32 116.66 115.81 1dro n ARG 62 Ca 0.25 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1dro n ARG 62 Cb 0.05 -1.80 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1dro n ARG 62 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1dro n GLY 63 N 3.94 1.02 0.10 5.14 0.00 -1.26 -5.04 105.19 109.09 1dro n GLY 63 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1dro n GLY 63 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1dro h GLU 64 N 0.00 0.00 -4.88 1.61 4.11 -0.40 -3.43 114.58 111.59 1dro h GLU 64 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1dro h GLU 64 Cb 0.09 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.41 1dro h GLU 64 CO 0.00 0.39 -0.78 -2.30 0.07 0.00 0.00 179.01 176.39 1dro n PRO 65 N -3.01 0.00 -4.16 1.06 -0.02 -1.26 -3.45 135.00 124.15 1dro n PRO 65 Ca -0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 1dro n PRO 65 Cb 0.82 -0.92 -0.10 0.00 -0.02 0.00 0.00 33.50 33.28 1dro n PRO 65 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dro s SER 66 N -0.92 1.21 0.42 2.55 0.15 -1.26 -2.73 113.70 113.12 1dro s SER 66 Ca 0.10 -0.91 0.05 0.00 0.70 0.00 0.00 55.95 55.89 1dro s SER 66 Cb 0.03 0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.35 1dro s SER 66 CO 0.19 -0.39 0.02 -0.31 1.20 0.00 0.00 173.24 173.95 1dro s TYR 67 N -3.11 2.27 -0.41 3.44 1.51 -1.07 -4.78 117.35 115.20 1dro s TYR 67 Ca 0.08 -0.80 0.05 0.00 -1.01 0.00 0.00 57.07 55.40 1dro s TYR 67 Cb 0.02 -1.66 0.19 0.00 -0.11 0.00 0.00 41.96 40.40 1dro s TYR 67 CO -0.03 0.32 0.42 -3.47 -1.11 0.00 0.00 175.55 171.68 1dro n ASP 68 N -1.02 -0.59 -3.24 2.29 2.03 -1.26 -1.67 116.55 113.10 1dro n ASP 68 Ca -0.08 -2.51 -0.29 0.00 0.52 0.00 0.00 54.79 52.43 1dro n ASP 68 Cb 0.67 -0.37 -0.04 0.00 -0.72 0.00 0.00 41.12 40.66 1dro n ASP 68 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1dro n LEU 69 N 2.47 4.65 0.00 -2.67 4.77 0.89 -4.70 117.00 122.40 1dro n LEU 69 Ca 0.27 -5.55 0.05 0.00 -0.03 0.00 0.00 56.01 50.75 1dro n LEU 69 Cb 0.50 -0.70 0.30 0.00 -2.33 0.00 0.00 43.42 41.19 1dro n LEU 69 CO 0.10 2.18 0.67 0.00 -1.33 0.00 0.00 177.39 179.01 1dro n GLN 70 N 0.25 0.93 -0.01 3.23 6.02 -1.23 -2.65 117.38 123.93 1dro n GLN 70 Ca 0.32 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.18 1dro n GLN 70 Cb 0.38 -1.17 -0.14 0.00 1.02 0.00 0.00 30.24 30.33 1dro n GLN 70 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1dro h ASN 71 N 0.00 0.15 -2.41 1.08 2.35 -1.83 -3.40 115.58 111.52 1dro h ASN 71 Ca 0.00 -0.34 -0.50 0.00 -0.55 0.00 0.00 56.30 54.92 1dro h ASN 71 Cb 0.00 -0.05 0.23 0.00 0.05 0.00 0.00 38.32 38.55 1dro h ASN 71 CO 0.00 1.30 -1.29 0.00 -1.65 0.00 0.00 177.43 175.80 1dro n ALA 72 N -2.70 -4.12 -3.30 -0.83 0.00 -1.08 -4.72 120.51 103.77 1dro n ALA 72 Ca -0.21 -1.02 -0.05 0.00 0.00 0.00 0.00 53.44 52.16 1dro n ALA 72 Cb 1.05 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1dro n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dro n ALA 73 N -3.77 0.19 -3.00 0.00 0.00 0.32 -2.71 120.51 111.54 1dro n ALA 73 Ca 0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1dro n ALA 73 Cb 0.61 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 1dro n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dro s ILE 74 N -0.10 0.08 0.00 0.00 1.01 -1.26 -1.98 121.20 118.95 1dro s ILE 74 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1dro s ILE 74 Cb -0.01 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1dro s ILE 74 CO 0.05 -0.36 0.00 -1.84 0.00 0.00 0.00 174.94 172.79 1dro n GLU 75 N 0.35 0.00 -3.74 2.79 0.28 0.04 -4.95 120.64 115.40 1dro n GLU 75 Ca -0.18 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.56 1dro n GLU 75 Cb 0.61 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.31 1dro n GLU 75 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1dro s ILE 76 N -2.68 0.50 0.00 3.84 1.01 -1.26 -2.56 121.20 120.05 1dro s ILE 76 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1dro s ILE 76 Cb 0.00 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.54 1dro s ILE 76 CO 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 174.94 174.83 1dro n ALA 77 N 5.07 0.00 -1.00 9.38 0.00 -1.05 -4.94 120.51 127.97 1dro n ALA 77 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1dro n ALA 77 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1dro n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dro n SER 78 N -3.48 0.00 -1.80 0.00 2.88 -1.26 -4.96 113.62 105.01 1dro n SER 78 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1dro n SER 78 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1dro n SER 78 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1dro n ASP 79 N -0.86 0.24 -4.04 -3.46 2.03 -1.26 -5.13 116.55 104.07 1dro n ASP 79 Ca 0.00 -2.03 -0.30 0.00 0.52 0.00 0.00 54.79 52.98 1dro n ASP 79 Cb 0.00 -0.04 0.20 0.00 -0.72 0.00 0.00 41.12 40.56 1dro n ASP 79 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1dro s TYR 80 N -0.75 1.37 -0.04 -0.67 1.51 -1.26 -5.01 117.35 112.49 1dro s TYR 80 Ca 0.20 0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 56.45 1dro s TYR 80 Cb 0.28 -4.15 -0.02 0.00 -0.11 0.00 0.00 41.96 37.96 1dro s TYR 80 CO -0.09 -2.74 -0.05 -2.37 -1.11 0.00 0.00 175.55 169.19 1dro n THR 81 N -3.79 0.23 -0.07 -0.71 5.66 -1.26 -4.41 114.28 109.94 1dro n THR 81 Ca 0.16 -0.07 -0.10 0.00 -3.05 0.00 0.00 64.05 61.00 1dro n THR 81 Cb 0.59 -1.33 -0.06 0.00 -1.55 0.00 0.00 70.33 67.98 1dro n THR 81 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1dro n LYS 82 N -3.05 0.34 0.00 1.09 2.85 -1.26 -4.47 118.16 113.66 1dro n LYS 82 Ca -0.08 0.09 0.09 0.00 -1.05 0.00 0.00 58.31 57.36 1dro n LYS 82 Cb 0.56 -1.25 0.54 0.00 -0.65 0.00 0.00 35.03 34.24 1dro n LYS 82 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1dro n LYS 83 N -2.99 0.66 0.00 -1.58 5.02 -1.26 -3.56 118.16 114.45 1dro n LYS 83 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1dro n LYS 83 Cb 0.75 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1dro n LYS 83 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1dro n LYS 84 N -0.93 0.83 -1.22 1.97 -0.00 -1.26 -3.02 118.16 114.52 1dro n LYS 84 Ca 0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.22 1dro n LYS 84 Cb 0.06 -1.02 0.15 0.00 -0.00 0.00 0.00 35.03 34.22 1dro n LYS 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1dro n HIS 85 N -0.47 2.66 -3.89 5.58 8.25 -1.23 -4.80 115.22 121.32 1dro n HIS 85 Ca 0.00 -2.12 -0.22 0.00 -0.26 0.00 0.00 57.72 55.11 1dro n HIS 85 Cb 0.01 -0.94 -0.05 0.00 1.12 0.00 0.00 29.99 30.14 1dro n HIS 85 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1dro s VAL 86 N -3.76 3.05 -0.06 1.59 0.11 -1.17 -4.61 120.40 115.55 1dro s VAL 86 Ca 0.56 -1.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1dro s VAL 86 Cb 0.47 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 1dro s VAL 86 CO 0.05 -0.12 -0.16 -0.76 -3.33 0.00 0.00 175.10 170.78 1dro s LEU 87 N -3.96 1.82 -0.21 2.54 1.43 -0.85 -2.54 118.68 116.92 1dro s LEU 87 Ca 0.41 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1dro s LEU 87 Cb -0.03 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.28 1dro s LEU 87 CO 0.25 0.10 -0.11 -0.13 0.23 0.00 0.00 176.35 176.70 1dro s ARG 88 N 0.34 2.08 -0.57 1.70 0.52 -1.06 -0.85 118.95 121.11 1dro s ARG 88 Ca -0.10 -0.92 -0.09 0.00 -0.52 0.00 0.00 55.73 54.10 1dro s ARG 88 Cb -0.14 -2.50 0.15 0.00 0.52 0.00 0.00 34.95 32.98 1dro s ARG 88 CO 0.04 -0.44 0.45 0.54 0.02 0.00 0.00 175.30 175.90 1dro s VAL 89 N 1.35 4.42 0.41 3.52 0.11 -1.05 -0.78 120.40 128.37 1dro s VAL 89 Ca -0.02 -2.15 -0.21 0.00 -2.93 0.00 0.00 61.98 56.67 1dro s VAL 89 Cb -0.17 -3.86 -0.11 0.00 -1.53 0.00 0.00 36.38 30.72 1dro s VAL 89 CO -0.08 -0.85 0.92 -0.75 -3.33 0.00 0.00 175.10 171.01 1dro s LYS 90 N 0.85 4.23 0.00 1.54 2.20 -0.84 -2.61 119.74 125.11 1dro s LYS 90 Ca 0.10 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1dro s LYS 90 Cb -0.22 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1dro s LYS 90 CO -0.03 0.02 0.00 1.28 -0.36 0.00 0.00 175.35 176.27 1dro n LEU 91 N -0.49 0.00 -0.37 5.43 4.32 -1.00 -0.52 117.00 124.36 1dro n LEU 91 Ca 0.06 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.14 1dro n LEU 91 Cb 0.54 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.51 1dro n LEU 91 CO 0.38 -0.12 0.62 0.00 -1.22 0.00 0.00 177.39 177.05 1dro n ALA 92 N -3.00 2.50 -1.21 -1.18 0.00 -1.26 -4.54 120.51 111.81 1dro n ALA 92 Ca 0.00 -2.37 0.08 0.00 0.00 0.00 0.00 53.44 51.15 1dro n ALA 92 Cb 0.00 -0.47 0.18 0.00 0.00 0.00 0.00 19.45 19.15 1dro n ALA 92 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1dro n ASN 93 N -0.99 2.40 0.00 0.00 0.23 -1.26 -4.99 115.26 110.64 1dro n ASN 93 Ca 0.17 -3.32 0.00 0.00 -0.53 0.00 0.00 54.58 50.89 1dro n ASN 93 Cb 0.70 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1dro n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dro n GLY 94 N -1.23 2.23 3.77 4.83 0.00 -1.26 -5.00 105.19 108.53 1dro n GLY 94 Ca 0.19 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1dro n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dro s ALA 95 N -0.42 3.11 0.15 4.61 0.00 -1.25 -4.72 121.76 123.23 1dro s ALA 95 Ca 0.00 0.84 0.11 0.00 0.00 0.00 0.00 51.96 52.91 1dro s ALA 95 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1dro s ALA 95 CO 0.00 -0.40 -0.26 -0.48 0.00 0.00 0.00 175.76 174.62 1dro s LEU 96 N -2.59 2.36 -0.59 0.00 0.05 -1.26 -2.38 118.68 114.26 1dro s LEU 96 Ca 0.58 -0.78 -0.16 0.00 0.05 0.00 0.00 54.13 53.83 1dro s LEU 96 Cb -0.27 -1.21 0.15 0.00 -2.05 0.00 0.00 46.19 42.81 1dro s LEU 96 CO 0.33 0.17 0.55 -0.36 -0.55 0.00 0.00 176.35 176.49 1dro s PHE 97 N -1.21 3.34 0.09 3.48 0.08 -1.07 -1.73 117.98 120.96 1dro s PHE 97 Ca 0.16 -1.42 -0.19 0.00 0.12 0.00 0.00 56.93 55.60 1dro s PHE 97 Cb -0.09 -3.81 -0.07 0.00 -0.57 0.00 0.00 43.02 38.48 1dro s PHE 97 CO 0.07 -1.02 0.58 -0.51 -0.10 0.00 0.00 175.22 174.25 1dro s LEU 98 N 1.34 4.50 -0.24 -0.37 1.43 -1.26 -2.52 118.68 121.56 1dro s LEU 98 Ca 0.06 1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.40 1dro s LEU 98 Cb -0.26 -2.99 0.07 0.00 0.03 0.00 0.00 46.19 43.04 1dro s LEU 98 CO 0.01 0.24 0.04 -0.76 0.23 0.00 0.00 176.35 176.11 1dro s LEU 99 N -1.26 1.75 -0.54 1.79 1.43 -0.03 -2.35 118.68 119.47 1dro s LEU 99 Ca 0.31 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 1dro s LEU 99 Cb -0.19 -0.78 0.13 0.00 0.03 0.00 0.00 46.19 45.39 1dro s LEU 99 CO 0.19 -0.33 0.47 -1.58 0.23 0.00 0.00 176.35 175.33 1dro s GLN 100 N 1.71 2.87 0.81 1.70 0.74 -0.22 -2.00 119.66 125.27 1dro s GLN 100 Ca 0.02 -1.78 -0.12 0.00 0.05 0.00 0.00 55.36 53.53 1dro s GLN 100 Cb -0.17 -4.19 0.09 0.00 1.10 0.00 0.00 33.01 29.83 1dro s GLN 100 CO -0.14 -1.29 1.17 0.00 -0.55 0.00 0.00 175.29 174.49 1dro s ALA 101 N 1.44 2.67 0.00 1.58 0.00 -1.26 -2.24 121.76 123.94 1dro s ALA 101 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1dro s ALA 101 Cb -0.28 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1dro s ALA 101 CO 0.01 -1.72 0.39 1.58 0.00 0.00 0.00 175.76 176.02 1dro n HIS 102 N -3.32 0.00 -2.51 0.00 -0.00 -1.26 -4.90 115.22 103.23 1dro n HIS 102 Ca 0.09 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.04 1dro n HIS 102 Cb 0.61 -0.21 0.06 0.00 -0.12 0.00 0.00 29.99 30.33 1dro n HIS 102 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1dro s ASP 103 N -1.93 4.97 0.00 0.26 2.15 -1.26 -4.95 116.67 115.92 1dro s ASP 103 Ca 0.00 0.05 0.30 0.00 0.43 0.00 0.00 52.55 53.33 1dro s ASP 103 Cb 0.00 -0.78 1.47 0.00 -0.30 0.00 0.00 42.92 43.31 1dro s ASP 103 CO 0.00 -1.40 2.00 0.47 -0.17 0.00 0.00 175.17 176.07 1dro n ASP 104 N -2.59 0.34 -0.06 -0.34 8.00 -1.26 -1.58 116.55 119.06 1dro n ASP 104 Ca 0.09 -0.70 -0.17 0.00 0.71 0.00 0.00 54.79 54.72 1dro n ASP 104 Cb 0.60 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.48 1dro n ASP 104 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1dro h THR 105 N 0.47 1.56 0.00 -3.53 2.02 -2.01 -3.34 112.91 108.08 1dro h THR 105 Ca 0.00 -2.34 -0.07 0.00 0.77 0.00 0.00 66.41 64.77 1dro h THR 105 Cb 0.25 3.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 1dro h THR 105 CO 0.00 0.57 -0.49 -0.08 0.37 0.00 0.00 175.52 175.89 1dro h GLU 106 N -0.90 0.00 -0.26 6.66 4.57 -1.96 -2.93 114.58 119.76 1dro h GLU 106 Ca -0.10 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1dro h GLU 106 Cb 1.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1dro h GLU 106 CO -0.02 0.29 0.08 1.98 -1.18 0.00 0.00 179.01 180.16 1dro h MET 107 N 0.00 0.41 0.21 1.92 4.05 -1.45 0.19 114.93 120.26 1dro h MET 107 Ca -0.02 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1dro h MET 107 Cb 1.26 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1dro h MET 107 CO 0.04 0.48 -0.10 0.77 0.23 0.00 0.00 176.91 178.33 1dro h SER 108 N 0.26 -0.24 -0.93 1.39 0.02 -1.68 -2.87 113.55 109.50 1dro h SER 108 Ca 0.08 -0.18 0.25 0.00 -0.84 0.00 0.00 61.79 61.11 1dro h SER 108 Cb 0.24 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1dro h SER 108 CO -0.00 0.05 0.65 1.56 -1.14 0.00 0.00 176.83 177.95 1dro h GLN 109 N -0.53 0.13 0.08 3.45 4.20 -1.30 0.51 115.11 121.65 1dro h GLN 109 Ca -0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1dro h GLN 109 Cb 0.40 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1dro h GLN 109 CO 0.05 0.09 -0.04 -1.49 -0.67 0.00 0.00 178.83 176.76 1dro h TRP 110 N 0.13 -0.10 0.48 2.96 4.06 -0.46 -1.93 115.95 121.09 1dro h TRP 110 Ca 0.46 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.39 1dro h TRP 110 Cb 1.60 0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.80 1dro h TRP 110 CO -0.00 0.07 -0.23 -0.24 -3.56 0.00 0.00 178.44 174.48 1dro h VAL 111 N -0.26 0.52 -0.77 1.49 3.04 0.09 0.86 116.25 121.22 1dro h VAL 111 Ca -0.01 -0.06 0.17 0.00 -1.01 0.00 0.00 66.70 65.79 1dro h VAL 111 Cb 0.22 0.55 -0.11 0.00 -2.01 0.00 0.00 31.29 29.94 1dro h VAL 111 CO 0.02 0.01 0.21 0.71 -1.01 0.00 0.00 177.57 177.50 1dro h THR 112 N -0.69 0.49 0.16 3.17 1.35 -0.85 0.43 112.91 116.98 1dro h THR 112 Ca -0.07 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 1dro h THR 112 Cb 0.52 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1dro h THR 112 CO 0.11 0.05 -0.08 -1.28 -0.25 0.00 0.00 175.52 174.07 1dro h SER 113 N 0.28 -0.19 -0.99 5.36 0.87 -1.10 -2.75 113.55 115.04 1dro h SER 113 Ca 0.45 -0.23 0.35 0.00 -1.23 0.00 0.00 61.79 61.13 1dro h SER 113 Cb 0.78 0.05 -0.17 0.00 -0.44 0.00 0.00 62.40 62.63 1dro h SER 113 CO -0.53 0.14 0.47 -0.07 -0.53 0.00 0.00 176.83 176.31 1dro h LEU 114 N -0.53 0.28 -0.26 2.23 3.38 -0.20 -1.13 115.31 119.08 1dro h LEU 114 Ca -0.02 0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.98 1dro h LEU 114 Cb 0.40 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1dro h LEU 114 CO 0.04 -0.30 -0.63 0.11 0.09 0.00 0.00 178.44 177.75 1dro h LYS 115 N 0.14 0.84 -0.40 1.13 1.79 -0.65 -1.52 116.57 117.89 1dro h LYS 115 Ca 0.76 -0.58 0.12 0.00 -2.18 0.00 0.00 60.65 58.76 1dro h LYS 115 Cb 1.83 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.56 1dro h LYS 115 CO -0.72 1.21 0.33 0.00 -1.08 0.00 0.00 179.45 179.19 1dro h ALA 116 N 0.65 2.26 -2.17 3.86 0.00 -0.96 -3.36 119.26 119.55 1dro h ALA 116 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dro h ALA 116 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1dro h ALA 116 CO 0.14 -0.53 0.00 1.04 0.00 0.00 0.00 179.25 179.89 1dro n GLN 117 N -4.16 0.00 0.00 0.00 3.00 -0.83 -4.63 117.38 110.76 1dro n GLN 117 Ca 0.07 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1dro n GLN 117 Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 30.24 30.42 1dro n GLN 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1dro n SER 118 N -1.45 0.00 -3.84 1.08 2.88 -0.64 -3.76 113.62 107.90 1dro n SER 118 Ca 0.00 0.15 -0.30 0.00 -1.33 0.00 0.00 58.87 57.39 1dro n SER 118 Cb 0.00 -0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.31 1dro n SER 118 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1dro s ASP 119 N -0.96 4.11 -0.15 -3.46 -1.08 -1.10 -3.22 116.67 110.82 1dro s ASP 119 Ca 0.00 -2.43 -0.09 0.00 -0.52 0.00 0.00 52.55 49.51 1dro s ASP 119 Cb 0.00 -1.27 0.05 0.00 -1.46 0.00 0.00 42.92 40.24 1dro s ASP 119 CO 0.00 -0.31 0.36 -0.44 0.52 0.00 0.00 175.17 175.30 1dro s SER 120 N 0.56 -0.42 0.00 -0.34 0.01 -1.25 -4.97 113.70 107.29 1dro s SER 120 Ca 0.15 0.77 0.19 0.00 1.31 0.00 0.00 55.95 58.37 1dro s SER 120 Cb -0.22 0.68 0.97 0.00 0.21 0.00 0.00 66.02 67.66 1dro s SER 120 CO -0.06 -0.17 1.59 0.35 0.41 0.00 0.00 173.24 175.36 1dro n THR 121 N 3.92 0.41 -1.03 1.44 -2.24 -1.26 -5.05 114.28 110.47 1dro n THR 121 Ca -0.21 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1dro n THR 121 Cb 0.55 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1dro n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50