#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a n ARG 12 N 0.00 0.06 -3.72 1.97 0.63 -1.26 -5.10 116.66 109.25 3d5a n ARG 12 Ca 0.00 -1.18 -0.29 0.00 -0.92 0.00 0.00 57.85 55.46 3d5a n ARG 12 Cb 0.00 -0.39 -0.15 0.00 0.45 0.00 0.00 32.46 32.37 3d5a n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3d5a s GLN 13 N -3.82 0.68 -0.02 -0.14 1.11 -1.26 -4.92 119.66 111.29 3d5a s GLN 13 Ca 0.32 -0.89 0.05 0.00 0.01 0.00 0.00 55.36 54.85 3d5a s GLN 13 Cb -0.02 -1.94 -0.03 0.00 -1.01 0.00 0.00 33.01 30.01 3d5a s GLN 13 CO 0.21 -0.91 -0.17 0.14 0.01 0.00 0.00 175.29 174.57 3d5a s VAL 14 N 1.71 2.84 0.10 1.09 -7.23 -1.19 -4.90 120.40 112.82 3d5a s VAL 14 Ca 0.07 -0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 59.30 3d5a s VAL 14 Cb -0.17 -2.11 -0.24 0.00 0.56 0.00 0.00 36.38 34.41 3d5a s VAL 14 CO -0.23 0.53 1.20 0.00 -0.31 0.00 0.00 175.10 176.30 3d5a h ALA 15 N 5.18 0.19 -1.83 1.32 0.00 -1.84 -3.32 119.26 118.97 3d5a h ALA 15 Ca -0.46 -0.80 -0.57 0.00 0.00 0.00 0.00 54.91 53.08 3d5a h ALA 15 Cb 1.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3d5a h ALA 15 CO 0.49 0.87 0.99 0.45 0.00 0.00 0.00 179.25 182.05 3d5a s SER 16 N -7.17 6.54 0.00 0.00 0.15 -1.26 -0.58 113.70 111.38 3d5a s SER 16 Ca -0.05 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3d5a s SER 16 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3d5a s SER 16 CO 0.88 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3d5a n GLY 17 N 4.72 6.07 3.59 9.45 0.00 0.17 -4.20 105.19 125.00 3d5a n GLY 17 Ca 0.15 -1.97 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 3d5a n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d5a s ARG 18 N -0.16 0.55 -0.28 1.61 3.52 0.22 -1.52 118.95 122.90 3d5a s ARG 18 Ca 0.00 1.35 -0.09 0.00 -0.13 0.00 0.00 55.73 56.86 3d5a s ARG 18 Cb 0.00 0.81 -0.02 0.00 -1.56 0.00 0.00 34.95 34.18 3d5a s ARG 18 CO 0.00 -0.22 0.11 0.00 -0.81 0.00 0.00 175.30 174.39 3d5a s ALA 19 N 2.85 3.24 -0.18 6.12 0.00 -1.17 0.48 121.76 133.11 3d5a s ALA 19 Ca -0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 3d5a s ALA 19 Cb -0.12 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 3d5a s ALA 19 CO -0.19 -0.67 0.19 0.71 0.00 0.00 0.00 175.76 175.80 3d5a s TYR 20 N 1.62 3.45 -0.26 0.00 4.12 0.99 0.54 117.35 127.81 3d5a s TYR 20 Ca 0.06 0.45 0.03 0.00 0.02 0.00 0.00 57.07 57.62 3d5a s TYR 20 Cb -0.16 -2.21 0.06 0.00 -1.52 0.00 0.00 41.96 38.13 3d5a s TYR 20 CO 0.05 0.31 -0.11 0.42 0.02 0.00 0.00 175.55 176.24 3d5a s ILE 21 N 0.28 2.22 -0.52 2.71 1.09 -0.27 -0.57 121.20 126.14 3d5a s ILE 21 Ca 0.12 -1.57 -0.16 0.00 -1.10 0.00 0.00 60.65 57.94 3d5a s ILE 21 Cb -0.12 -2.28 0.11 0.00 -1.06 0.00 0.00 42.46 39.11 3d5a s ILE 21 CO 0.01 0.01 0.47 -2.28 -0.10 0.00 0.00 174.94 173.05 3d5a s HIS 22 N 1.13 3.24 -0.32 3.97 2.46 0.13 0.36 115.29 126.26 3d5a s HIS 22 Ca -0.08 -1.16 -0.19 0.00 0.47 0.00 0.00 55.06 54.11 3d5a s HIS 22 Cb -0.19 -3.59 -0.01 0.00 -0.13 0.00 0.00 32.58 28.65 3d5a s HIS 22 CO -0.05 -0.95 0.55 0.00 -2.47 0.00 0.00 174.74 171.81 3d5a s ALA 23 N 1.65 3.52 0.00 1.58 0.00 0.43 -1.17 121.76 127.76 3d5a s ALA 23 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3d5a s ALA 23 Cb -0.28 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3d5a s ALA 23 CO 0.04 -1.07 0.00 0.45 0.00 0.00 0.00 175.76 175.19 3d5a n SER 24 N 5.75 0.84 -0.01 0.00 2.88 -0.81 -3.67 113.62 118.60 3d5a n SER 24 Ca -0.03 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.49 3d5a n SER 24 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 3d5a n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3d5a n TYR 25 N 0.00 0.00 1.25 0.66 4.02 -1.26 -3.82 117.16 118.00 3d5a n TYR 25 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 3d5a n TYR 25 Cb 0.00 -0.09 0.31 0.00 -0.02 0.00 0.00 39.34 39.54 3d5a n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3d5a n ASN 26 N -2.36 1.80 -3.69 7.72 4.13 -1.26 -4.34 115.26 117.26 3d5a n ASN 26 Ca -0.04 -1.46 0.02 0.00 1.68 0.00 0.00 54.58 54.78 3d5a n ASN 26 Cb 0.55 0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.90 3d5a n ASN 26 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3d5a s ASN 27 N -2.20 -0.03 -0.14 6.41 2.47 -1.26 -3.04 114.94 117.16 3d5a s ASN 27 Ca 0.29 -0.17 -0.06 0.00 0.42 0.00 0.00 52.86 53.34 3d5a s ASN 27 Cb 0.20 0.16 0.06 0.00 -1.45 0.00 0.00 41.25 40.21 3d5a s ASN 27 CO 0.41 -0.30 0.30 -0.89 -3.72 0.00 0.00 177.10 172.90 3d5a s THR 28 N -2.23 -0.21 0.14 -5.21 2.01 -1.19 -1.92 115.64 107.03 3d5a s THR 28 Ca 0.21 0.18 0.11 0.00 0.31 0.00 0.00 61.69 62.49 3d5a s THR 28 Cb 0.03 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3d5a s THR 28 CO -0.02 0.07 -0.26 0.27 -0.69 0.00 0.00 174.62 173.99 3d5a s ILE 29 N 1.77 2.31 -0.02 1.82 -5.25 -0.32 -2.95 121.20 118.57 3d5a s ILE 29 Ca -0.05 -1.81 -0.01 0.00 -0.99 0.00 0.00 60.65 57.79 3d5a s ILE 29 Cb -0.11 -2.05 0.01 0.00 2.95 0.00 0.00 42.46 43.27 3d5a s ILE 29 CO -0.10 0.04 0.04 0.68 -1.79 0.00 0.00 174.94 173.81 3d5a s VAL 30 N -1.20 -0.02 -0.00 8.37 -7.23 0.75 0.20 120.40 121.27 3d5a s VAL 30 Ca 0.16 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.40 3d5a s VAL 30 Cb -0.10 -0.07 -0.00 0.00 0.56 0.00 0.00 36.38 36.77 3d5a s VAL 30 CO 0.07 0.02 -0.04 0.28 -0.31 0.00 0.00 175.10 175.12 3d5a s THR 31 N 0.31 0.36 -0.08 5.32 -1.32 0.26 -0.67 115.64 119.82 3d5a s THR 31 Ca -0.02 -0.19 -0.05 0.00 -1.21 0.00 0.00 61.69 60.22 3d5a s THR 31 Cb -0.04 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 3d5a s THR 31 CO -0.01 0.10 0.13 -0.63 -2.21 0.00 0.00 174.62 172.01 3d5a s ILE 32 N -0.09 5.32 0.04 5.08 -1.09 0.32 -0.01 121.20 130.78 3d5a s ILE 32 Ca 0.01 0.03 -0.08 0.00 -2.23 0.00 0.00 60.65 58.38 3d5a s ILE 32 Cb -0.02 -3.36 -0.00 0.00 -1.58 0.00 0.00 42.46 37.50 3d5a s ILE 32 CO -0.00 0.52 0.17 0.28 -1.23 0.00 0.00 174.94 174.68 3d5a s THR 33 N -1.10 0.12 0.80 2.92 -1.32 0.18 0.67 115.64 117.90 3d5a s THR 33 Ca 0.19 -0.97 -0.12 0.00 -1.21 0.00 0.00 61.69 59.58 3d5a s THR 33 Cb -0.12 -0.95 0.07 0.00 -1.51 0.00 0.00 72.50 69.99 3d5a s THR 33 CO 0.08 -0.53 1.14 1.51 -2.21 0.00 0.00 174.62 174.61 3d5a s ASP 34 N -2.16 4.60 0.00 8.08 3.84 -0.72 0.73 116.67 131.04 3d5a s ASP 34 Ca -0.04 0.95 0.01 0.00 -0.00 0.00 0.00 52.55 53.47 3d5a s ASP 34 Cb -0.01 -1.56 0.06 0.00 -1.38 0.00 0.00 42.92 40.04 3d5a s ASP 34 CO -0.05 -1.86 0.34 -2.65 -0.00 0.00 0.00 175.17 170.95 3d5a n PRO 35 N -3.31 0.07 -0.06 2.11 -0.02 -1.26 -1.11 135.00 131.41 3d5a n PRO 35 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 3d5a n PRO 35 Cb 0.59 -1.25 -0.16 0.00 -0.02 0.00 0.00 33.50 32.67 3d5a n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3d5a n ASP 36 N -0.75 0.15 0.00 2.55 10.43 -1.26 -5.00 116.55 122.68 3d5a n ASP 36 Ca 0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.37 3d5a n ASP 36 Cb 0.00 1.38 0.00 0.00 1.84 0.00 0.00 41.12 44.35 3d5a n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d5a n GLY 37 N 1.59 0.99 3.76 0.44 0.00 -0.27 -5.11 105.19 106.60 3d5a n GLY 37 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3d5a n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d5a s ASN 38 N -1.19 6.95 0.88 1.61 0.02 -1.26 -4.84 114.94 117.11 3d5a s ASN 38 Ca 0.00 1.13 -0.11 0.00 -1.02 0.00 0.00 52.86 52.86 3d5a s ASN 38 Cb 0.00 -2.36 0.12 0.00 0.02 0.00 0.00 41.25 39.03 3d5a s ASN 38 CO 0.00 0.08 1.15 -2.65 0.02 0.00 0.00 177.10 175.70 3d5a n PRO 39 N 2.85 -0.22 0.03 -0.60 -0.02 -1.26 -1.75 135.00 134.03 3d5a n PRO 39 Ca -0.07 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3d5a n PRO 39 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3d5a n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3d5a n ILE 40 N -3.89 0.25 -3.53 4.25 2.08 0.21 -4.79 119.36 113.95 3d5a n ILE 40 Ca 0.12 0.08 -0.17 0.00 0.56 0.00 0.00 62.75 63.35 3d5a n ILE 40 Cb 0.51 -1.12 -0.06 0.00 -0.75 0.00 0.00 39.64 38.23 3d5a n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3d5a s THR 41 N -2.00 0.00 0.36 1.39 2.01 -1.23 -5.00 115.64 111.17 3d5a s THR 41 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 3d5a s THR 41 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3d5a s THR 41 CO 0.00 0.00 0.18 -1.66 -0.69 0.00 0.00 174.62 172.45 3d5a s TRP 42 N -1.10 1.73 -0.07 4.92 1.48 -1.26 -0.52 118.94 124.12 3d5a s TRP 42 Ca -0.09 -1.41 -0.32 0.00 -1.06 0.00 0.00 56.10 53.22 3d5a s TRP 42 Cb -0.00 -0.97 0.12 0.00 -1.16 0.00 0.00 33.47 31.46 3d5a s TRP 42 CO 0.08 -0.51 1.13 0.45 -4.06 0.00 0.00 176.95 174.05 3d5a s SER 43 N -3.49 -0.17 0.03 -2.66 0.15 0.15 -4.79 113.70 102.92 3d5a s SER 43 Ca 0.31 -0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 3d5a s SER 43 Cb 0.03 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 3d5a s SER 43 CO 0.19 -0.40 0.20 -1.54 1.20 0.00 0.00 173.24 172.88 3d5a n SER 44 N -0.26 -0.31 0.18 5.45 3.41 -1.26 -0.17 113.62 120.65 3d5a n SER 44 Ca -0.04 -1.15 -0.17 0.00 -0.26 0.00 0.00 58.87 57.25 3d5a n SER 44 Cb 0.60 0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 64.95 3d5a n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3d5a h GLY 45 N 0.36 -1.12 1.64 5.00 0.00 -1.73 -1.22 103.07 106.01 3d5a h GLY 45 Ca -0.05 0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.85 3d5a h GLY 45 CO 0.07 -0.30 0.10 -1.33 0.00 0.00 0.00 176.54 175.07 3d5a h GLY 46 N -0.82 0.50 1.12 4.60 0.00 -1.88 -0.83 103.07 105.76 3d5a h GLY 46 Ca -0.02 -0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.15 3d5a h GLY 46 CO -0.20 0.23 0.38 -2.08 0.00 0.00 0.00 176.54 174.87 3d5a h VAL 47 N 0.46 0.93 0.05 4.60 2.07 -1.72 -2.86 116.25 119.77 3d5a h VAL 47 Ca 0.11 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3d5a h VAL 47 Cb 0.15 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3d5a h VAL 47 CO -0.01 0.08 -0.02 0.40 0.02 0.00 0.00 177.57 178.04 3d5a h ILE 48 N 0.44 0.00 0.00 4.57 1.08 -0.03 -3.47 117.51 120.10 3d5a h ILE 48 Ca 0.26 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 3d5a h ILE 48 Cb 0.45 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3d5a h ILE 48 CO -0.07 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.00 3d5a n GLY 49 N 0.99 0.00 3.71 5.37 0.00 -0.64 -5.12 105.19 109.51 3d5a n GLY 49 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3d5a n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d5a s TYR 50 N 0.00 2.09 -0.12 1.61 4.12 -1.12 -4.99 117.35 118.94 3d5a s TYR 50 Ca 0.00 -0.86 -0.03 0.00 0.02 0.00 0.00 57.07 56.20 3d5a s TYR 50 Cb 0.00 -1.67 0.05 0.00 -1.52 0.00 0.00 41.96 38.82 3d5a s TYR 50 CO 0.00 0.31 0.06 0.15 0.02 0.00 0.00 175.55 176.09 3d5a s LYS 51 N -3.82 0.14 4.84 -0.62 1.02 -1.26 -4.42 119.74 115.62 3d5a s LYS 51 Ca 0.16 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.20 3d5a s LYS 51 Cb 0.04 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 3d5a s LYS 51 CO 0.08 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 3d5a n GLY 52 N 5.25 0.90 0.13 -3.33 0.00 -1.26 -2.61 105.19 104.27 3d5a n GLY 52 Ca -0.06 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 3d5a n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d5a h SER 53 N 0.00 0.17 -0.97 1.61 4.64 -1.92 -2.20 113.55 114.88 3d5a h SER 53 Ca 0.00 0.02 0.16 0.00 -0.47 0.00 0.00 61.79 61.50 3d5a h SER 53 Cb 0.00 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 61.98 3d5a h SER 53 CO 0.00 0.13 0.59 0.03 -0.87 0.00 0.00 176.83 176.71 3d5a h ARG 54 N 0.26 0.79 0.00 4.77 2.47 -1.83 -0.32 114.38 120.53 3d5a h ARG 54 Ca 0.12 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 3d5a h ARG 54 Cb 0.06 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3d5a h ARG 54 CO -0.10 0.52 -0.15 0.87 0.56 0.00 0.00 179.97 181.67 3d5a h LYS 55 N 0.81 0.00 0.00 0.04 1.57 -1.57 -1.56 116.57 115.86 3d5a h LYS 55 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3d5a h LYS 55 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3d5a h LYS 55 CO -0.34 0.15 -0.04 0.41 -0.57 0.00 0.00 179.45 179.06 3d5a n GLY 56 N -0.97 -1.69 3.62 3.86 0.00 -0.14 -3.15 105.19 106.73 3d5a n GLY 56 Ca -0.02 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3d5a n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3d5a n THR 57 N -2.25 2.08 -0.19 2.61 -1.04 -0.59 -4.75 114.28 110.16 3d5a n THR 57 Ca 0.05 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.50 3d5a n THR 57 Cb 0.43 -1.18 0.03 0.00 -1.82 0.00 0.00 70.33 67.79 3d5a n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3d5a h PRO 58 N 2.04 0.69 -0.16 -2.82 0.13 -1.89 -2.06 132.00 127.92 3d5a h PRO 58 Ca -0.42 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 3d5a h PRO 58 Cb 1.32 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3d5a h PRO 58 CO 0.60 0.46 0.11 -0.92 -0.23 0.00 0.00 178.00 178.02 3d5a h TYR 59 N 0.71 0.06 0.04 1.56 3.20 -1.91 -0.28 116.97 120.36 3d5a h TYR 59 Ca 0.21 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3d5a h TYR 59 Cb -0.05 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3d5a h TYR 59 CO -0.04 0.04 -0.02 0.00 -1.64 0.00 0.00 178.16 176.49 3d5a h ALA 60 N 1.91 -0.06 -0.96 1.82 0.00 -1.68 -2.11 119.26 118.19 3d5a h ALA 60 Ca 0.07 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.00 3d5a h ALA 60 Cb 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3d5a h ALA 60 CO -0.01 -0.35 0.61 0.00 0.00 0.00 0.00 179.25 179.50 3d5a h ALA 61 N 0.51 1.94 0.57 0.00 0.00 -0.56 0.95 119.26 122.68 3d5a h ALA 61 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3d5a h ALA 61 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d5a h ALA 61 CO 0.01 -0.27 -0.30 0.37 0.00 0.00 0.00 179.25 179.06 3d5a h GLN 62 N 0.60 -0.77 -0.94 0.00 4.15 -0.87 0.21 115.11 117.49 3d5a h GLN 62 Ca 0.52 0.05 0.15 0.00 0.77 0.00 0.00 58.65 60.14 3d5a h GLN 62 Cb 1.02 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.81 3d5a h GLN 62 CO -0.27 -0.51 0.60 -0.07 -1.93 0.00 0.00 178.83 176.64 3d5a h LEU 63 N -0.80 0.72 -0.29 -2.39 3.38 -0.70 -0.62 115.31 114.62 3d5a h LEU 63 Ca -0.08 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3d5a h LEU 63 Cb 0.62 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3d5a h LEU 63 CO 0.11 0.35 -0.35 0.00 0.09 0.00 0.00 178.44 178.65 3d5a h ALA 64 N 1.59 0.43 -0.43 1.53 0.00 -0.73 -0.75 119.26 120.90 3d5a h ALA 64 Ca 0.48 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3d5a h ALA 64 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3d5a h ALA 64 CO -0.24 0.49 0.10 0.00 0.00 0.00 0.00 179.25 179.59 3d5a h ALA 65 N 0.69 1.36 -0.05 0.00 0.00 0.60 0.59 119.26 122.45 3d5a h ALA 65 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3d5a h ALA 65 Cb 0.93 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3d5a h ALA 65 CO 0.08 0.46 -0.27 -0.07 0.00 0.00 0.00 179.25 179.45 3d5a h LEU 66 N 0.63 0.33 -0.60 0.00 3.38 -1.05 -2.24 115.31 115.76 3d5a h LEU 66 Ca 0.14 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.51 3d5a h LEU 66 Cb 0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3d5a h LEU 66 CO -0.00 0.93 0.32 -0.78 0.09 0.00 0.00 178.44 179.00 3d5a h ASP 67 N -0.25 0.48 -0.82 -0.43 1.82 -0.95 0.97 116.42 117.24 3d5a h ASP 67 Ca -0.02 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.72 3d5a h ASP 67 Cb 0.92 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.81 3d5a h ASP 67 CO 0.06 0.32 0.49 0.00 -1.61 0.00 0.00 179.24 178.49 3d5a h ALA 68 N 1.32 1.13 -0.29 -0.78 0.00 -0.89 -0.54 119.26 119.20 3d5a h ALA 68 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 3d5a h ALA 68 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3d5a h ALA 68 CO -0.17 0.20 -0.45 0.00 0.00 0.00 0.00 179.25 178.83 3d5a h ALA 69 N 1.40 0.66 -0.53 0.00 0.00 -0.57 0.19 119.26 120.42 3d5a h ALA 69 Ca 0.36 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3d5a h ALA 69 Cb 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3d5a h ALA 69 CO -0.19 0.67 0.14 -0.22 0.00 0.00 0.00 179.25 179.66 3d5a h LYS 70 N 0.60 0.28 0.00 0.00 1.63 0.21 0.36 116.57 119.65 3d5a h LYS 70 Ca 0.04 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.66 3d5a h LYS 70 Cb 1.01 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 3d5a h LYS 70 CO 0.10 0.19 -0.87 0.87 -3.45 0.00 0.00 179.45 176.28 3d5a h LYS 71 N 0.29 0.00 -0.08 1.90 1.57 -1.07 -3.27 116.57 115.91 3d5a h LYS 71 Ca 0.26 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3d5a h LYS 71 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3d5a h LYS 71 CO -0.31 0.68 -0.03 0.00 -0.57 0.00 0.00 179.45 179.22 3d5a h ALA 72 N 1.26 0.11 0.00 3.86 0.00 0.24 -2.86 119.26 121.88 3d5a h ALA 72 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3d5a h ALA 72 Cb 1.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3d5a h ALA 72 CO 0.09 -0.16 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 3d5a n MET 73 N -4.78 0.03 0.14 0.00 2.81 0.12 -1.56 117.12 113.88 3d5a n MET 73 Ca -0.07 0.36 0.01 0.00 -1.81 0.00 0.00 57.70 56.19 3d5a n MET 73 Cb 0.24 -1.57 0.13 0.00 -0.71 0.00 0.00 33.22 31.31 3d5a n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3d5a h ALA 74 N 2.31 0.78 -0.43 3.04 0.00 -1.55 -2.92 119.26 120.49 3d5a h ALA 74 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 3d5a h ALA 74 Cb 0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 3d5a h ALA 74 CO 0.00 0.73 0.25 0.66 0.00 0.00 0.00 179.25 180.89 3d5a n TYR 75 N -3.48 1.35 -2.50 0.00 4.02 -0.60 -4.84 117.16 111.10 3d5a n TYR 75 Ca 0.00 -0.97 -0.17 0.00 -0.01 0.00 0.00 57.90 56.75 3d5a n TYR 75 Cb 0.67 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3d5a n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d5a n GLY 76 N -0.16 -0.29 3.82 2.72 0.00 -1.10 -3.14 105.19 107.04 3d5a n GLY 76 Ca 0.25 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3d5a n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3d5a s MET 77 N -5.04 3.87 0.31 1.61 0.00 -1.19 -3.14 119.30 115.71 3d5a s MET 77 Ca 0.08 1.12 0.00 0.00 0.00 0.00 0.00 55.69 56.90 3d5a s MET 77 Cb -0.04 -2.12 0.00 0.00 0.00 0.00 0.00 34.83 32.67 3d5a s MET 77 CO 0.10 -0.35 0.00 1.04 0.00 0.00 0.00 175.02 175.82 3d5a n GLN 78 N -1.32 0.00 -3.40 4.11 6.02 -0.06 -4.66 117.38 118.07 3d5a n GLN 78 Ca 0.08 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.62 3d5a n GLN 78 Cb 0.53 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.73 3d5a n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3d5a s SER 79 N -3.51 6.04 -0.16 1.08 1.04 0.25 -1.19 113.70 117.24 3d5a s SER 79 Ca 0.00 -1.66 -0.08 0.00 0.48 0.00 0.00 55.95 54.69 3d5a s SER 79 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 3d5a s SER 79 CO 0.00 -0.74 0.12 0.68 0.98 0.00 0.00 173.24 174.27 3d5a s VAL 80 N 1.55 5.29 -1.14 5.02 -7.23 -1.10 0.46 120.40 123.25 3d5a s VAL 80 Ca 0.04 0.14 -0.14 0.00 -1.81 0.00 0.00 61.98 60.21 3d5a s VAL 80 Cb -0.27 -3.36 0.19 0.00 0.56 0.00 0.00 36.38 33.50 3d5a s VAL 80 CO 0.03 0.52 1.31 -1.81 -0.31 0.00 0.00 175.10 174.84 3d5a s ASP 81 N -0.21 7.04 0.12 4.85 1.01 -0.57 -1.12 116.67 127.80 3d5a s ASP 81 Ca 0.10 -2.96 -0.31 0.00 0.71 0.00 0.00 52.55 50.09 3d5a s ASP 81 Cb -0.12 -2.36 -0.10 0.00 1.01 0.00 0.00 42.92 41.36 3d5a s ASP 81 CO 0.01 -0.70 1.72 -0.69 0.21 0.00 0.00 175.17 175.72 3d5a s VAL 82 N 1.17 2.65 -0.07 -1.27 1.01 -0.19 -3.02 120.40 120.67 3d5a s VAL 82 Ca 0.38 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 3d5a s VAL 82 Cb -0.05 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3d5a s VAL 82 CO -0.03 0.00 -0.03 -0.63 0.00 0.00 0.00 175.10 174.41 3d5a s ILE 83 N 2.27 0.56 0.21 2.22 1.01 0.19 -0.72 121.20 126.94 3d5a s ILE 83 Ca 0.76 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 61.44 3d5a s ILE 83 Cb -0.44 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3d5a s ILE 83 CO 0.34 0.27 0.13 0.68 0.00 0.00 0.00 174.94 176.36 3d5a s VAL 84 N 1.57 4.27 -0.04 2.92 -7.23 0.76 -1.12 120.40 121.53 3d5a s VAL 84 Ca -0.00 -1.35 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 3d5a s VAL 84 Cb -0.13 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.59 3d5a s VAL 84 CO -0.04 -0.24 0.29 -0.13 -0.31 0.00 0.00 175.10 174.67 3d5a s ARG 85 N -3.46 0.56 0.02 4.82 0.52 0.16 -0.88 118.95 120.68 3d5a s ARG 85 Ca 0.31 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 3d5a s ARG 85 Cb -0.09 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.63 3d5a s ARG 85 CO 0.23 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.83 3d5a n GLY 86 N 1.76 -3.49 3.48 -3.53 0.00 -1.26 -0.43 105.19 101.72 3d5a n GLY 86 Ca -0.19 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 3d5a n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d5a s THR 87 N -0.89 4.85 0.35 2.61 2.01 -1.26 -4.07 115.64 119.24 3d5a s THR 87 Ca 0.00 -2.37 0.08 0.00 0.31 0.00 0.00 61.69 59.71 3d5a s THR 87 Cb 0.00 -4.94 -0.05 0.00 0.01 0.00 0.00 72.50 67.52 3d5a s THR 87 CO 0.00 -1.67 0.08 -0.83 -0.69 0.00 0.00 174.62 171.51 3d5a s GLY 88 N 3.17 2.07 -1.14 4.40 0.00 -1.24 -4.93 107.32 109.64 3d5a s GLY 88 Ca 0.43 -1.94 -0.18 0.00 0.00 0.00 0.00 44.72 43.03 3d5a s GLY 88 CO -0.00 -1.85 2.05 0.00 0.00 0.00 0.00 173.10 173.29 3d5a n ALA 89 N -1.07 4.23 -0.17 3.20 0.00 -1.25 -2.65 120.51 122.80 3d5a n ALA 89 Ca -0.03 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.82 3d5a n ALA 89 Cb 0.62 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.49 3d5a n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5a n GLY 90 N 4.48 0.09 0.22 0.00 0.00 -1.26 -3.59 105.19 105.13 3d5a n GLY 90 Ca 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 3d5a n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d5a h ARG 91 N 0.00 -0.34 0.25 1.61 2.43 -1.85 0.24 114.38 116.71 3d5a h ARG 91 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3d5a h ARG 91 Cb 0.04 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3d5a h ARG 91 CO 0.00 -0.23 -0.29 1.05 -1.51 0.00 0.00 179.97 178.99 3d5a h GLU 92 N -0.36 -0.57 -0.92 0.20 -0.00 -1.96 -2.84 114.58 108.14 3d5a h GLU 92 Ca -0.01 0.04 0.10 0.00 -0.00 0.00 0.00 59.36 59.49 3d5a h GLU 92 Cb 0.35 0.13 -0.08 0.00 -0.00 0.00 0.00 28.75 29.15 3d5a h GLU 92 CO -0.12 -0.38 0.56 1.96 -0.00 0.00 0.00 179.01 181.03 3d5a h GLN 93 N -0.59 0.89 0.00 1.06 1.08 -1.90 0.92 115.11 116.58 3d5a h GLN 93 Ca -0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 3d5a h GLN 93 Cb 0.56 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3d5a h GLN 93 CO -0.08 0.59 -0.08 0.00 -0.95 0.00 0.00 178.83 178.31 3d5a h ALA 94 N 1.49 1.75 0.00 3.87 0.00 -0.82 -0.57 119.26 124.99 3d5a h ALA 94 Ca 0.44 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 3d5a h ALA 94 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3d5a h ALA 94 CO -0.24 0.10 -1.06 0.82 0.00 0.00 0.00 179.25 178.87 3d5a h ILE 95 N 0.00 1.06 -0.60 0.00 2.04 -0.46 -3.34 117.51 116.22 3d5a h ILE 95 Ca -0.00 -2.21 0.10 0.00 1.00 0.00 0.00 64.86 63.75 3d5a h ILE 95 Cb 0.16 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3d5a h ILE 95 CO 0.01 0.37 0.40 0.03 0.00 0.00 0.00 178.15 178.96 3d5a h ARG 96 N -0.98 0.37 0.00 2.37 2.47 0.83 0.17 114.38 119.62 3d5a h ARG 96 Ca -0.29 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.35 3d5a h ARG 96 Cb 1.27 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 3d5a h ARG 96 CO -0.17 0.25 -0.25 0.00 0.56 0.00 0.00 179.97 180.35 3d5a h ALA 97 N 1.70 1.12 0.00 0.04 0.00 -1.27 -3.03 119.26 117.82 3d5a h ALA 97 Ca 0.28 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3d5a h ALA 97 Cb 0.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3d5a h ALA 97 CO -0.07 0.31 -0.79 -0.07 0.00 0.00 0.00 179.25 178.63 3d5a h LEU 98 N 0.00 0.00 -0.27 0.00 3.38 -0.77 -2.45 115.31 115.20 3d5a h LEU 98 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3d5a h LEU 98 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3d5a h LEU 98 CO 0.03 0.79 -0.82 1.56 0.09 0.00 0.00 178.44 180.10 3d5a h GLN 99 N 0.00 0.50 -0.65 1.13 1.08 -1.40 -3.18 115.11 112.59 3d5a h GLN 99 Ca -0.01 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3d5a h GLN 99 Cb 1.54 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 3d5a h GLN 99 CO 0.10 1.08 0.00 0.00 -0.95 0.00 0.00 178.83 179.07 3d5a n ALA 100 N -2.55 3.19 -0.04 3.87 0.00 -1.19 -4.12 120.51 119.68 3d5a n ALA 100 Ca -0.06 -1.51 -0.04 0.00 0.00 0.00 0.00 53.44 51.83 3d5a n ALA 100 Cb 0.76 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 3d5a n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d5a n SER 101 N 0.96 0.31 0.00 0.00 3.41 -0.93 -4.99 113.62 112.39 3d5a n SER 101 Ca 0.24 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3d5a n SER 101 Cb 0.89 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 3d5a n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5a n GLY 102 N 1.56 1.22 3.00 5.00 0.00 -1.26 -5.00 105.19 109.71 3d5a n GLY 102 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 3d5a n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5a s LEU 103 N 0.00 1.79 -0.77 0.99 2.01 -1.24 -4.94 118.68 116.53 3d5a s LEU 103 Ca 0.00 -0.18 -0.20 0.00 0.01 0.00 0.00 54.13 53.75 3d5a s LEU 103 Cb 0.00 -0.54 0.10 0.00 0.01 0.00 0.00 46.19 45.76 3d5a s LEU 103 CO 0.00 0.07 1.00 -1.58 1.01 0.00 0.00 176.35 176.84 3d5a s GLN 104 N 0.18 3.32 -0.32 1.70 0.74 -0.33 -4.62 119.66 120.33 3d5a s GLN 104 Ca -0.03 -1.33 -0.28 0.00 0.05 0.00 0.00 55.36 53.77 3d5a s GLN 104 Cb -0.08 -4.54 -0.04 0.00 1.10 0.00 0.00 33.01 29.45 3d5a s GLN 104 CO 0.00 -1.75 2.03 0.14 -0.55 0.00 0.00 175.29 175.16 3d5a s VAL 105 N 3.22 3.24 0.18 1.34 -7.23 -1.26 -2.69 120.40 117.20 3d5a s VAL 105 Ca 0.25 0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 60.51 3d5a s VAL 105 Cb -0.13 -3.35 0.08 0.00 0.56 0.00 0.00 36.38 33.54 3d5a s VAL 105 CO 0.01 -0.25 1.74 0.50 -0.31 0.00 0.00 175.10 176.79 3d5a h LYS 106 N 14.56 0.28 -2.08 4.82 3.64 -1.42 -3.45 116.57 132.92 3d5a h LYS 106 Ca -0.35 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 3d5a h LYS 106 Cb 1.21 -0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 32.78 3d5a h LYS 106 CO 1.03 0.19 0.22 -1.54 -2.27 0.00 0.00 179.45 177.08 3d5a s SER 107 N -5.35 -0.62 -0.32 4.20 1.04 -1.26 -5.03 113.70 106.35 3d5a s SER 107 Ca -0.13 0.61 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 3d5a s SER 107 Cb 0.14 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.86 3d5a s SER 107 CO 0.72 -0.63 0.03 -0.63 0.98 0.00 0.00 173.24 173.72 3d5a s ILE 108 N -1.49 2.83 0.17 -1.02 1.01 -1.25 -1.03 121.20 120.43 3d5a s ILE 108 Ca -0.09 -1.68 0.09 0.00 0.00 0.00 0.00 60.65 58.97 3d5a s ILE 108 Cb -0.00 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3d5a s ILE 108 CO 0.07 -0.28 -0.13 -0.69 0.00 0.00 0.00 174.94 173.91 3d5a s VAL 109 N 1.16 3.02 -0.22 2.92 1.01 0.10 -5.00 120.40 123.40 3d5a s VAL 109 Ca -0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 61.98 60.28 3d5a s VAL 109 Cb -0.20 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.73 3d5a s VAL 109 CO -0.03 -0.08 -0.11 -0.62 0.00 0.00 0.00 175.10 174.26 3d5a s ASP 110 N -2.70 3.93 -0.26 3.32 2.15 -1.26 -0.17 116.67 121.68 3d5a s ASP 110 Ca 0.23 -0.82 0.09 0.00 0.43 0.00 0.00 52.55 52.48 3d5a s ASP 110 Cb -0.09 -1.59 0.46 0.00 -0.30 0.00 0.00 42.92 41.40 3d5a s ASP 110 CO 0.14 -0.08 1.34 -0.67 -0.17 0.00 0.00 175.17 175.72 3d5a n ASP 111 N 4.63 2.30 -4.47 -0.34 4.64 -0.06 -4.96 116.55 118.29 3d5a n ASP 111 Ca -0.18 -3.85 -0.46 0.00 -1.38 0.00 0.00 54.79 48.92 3d5a n ASP 111 Cb 0.48 -0.57 -0.07 0.00 -1.04 0.00 0.00 41.12 39.91 3d5a n ASP 111 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 3d5a n THR 112 N -1.10 0.11 -1.67 5.18 -1.04 -1.23 -4.82 114.28 109.70 3d5a n THR 112 Ca 0.28 -0.33 -0.47 0.00 -2.04 0.00 0.00 64.05 61.49 3d5a n THR 112 Cb 0.86 -1.72 -0.04 0.00 -1.82 0.00 0.00 70.33 67.61 3d5a n THR 112 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3d5a n PRO 113 N 8.41 2.18 -3.81 -2.82 -0.04 -1.26 -4.89 135.00 132.76 3d5a n PRO 113 Ca 0.44 0.79 -0.19 0.00 -0.04 0.00 0.00 63.50 64.50 3d5a n PRO 113 Cb 0.27 -2.59 -0.17 0.00 -0.04 0.00 0.00 33.50 30.96 3d5a n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3d5a s VAL 114 N 2.13 0.14 0.19 0.52 0.11 -1.26 -5.00 120.40 117.23 3d5a s VAL 114 Ca 0.84 0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.99 3d5a s VAL 114 Cb -0.68 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 33.81 3d5a s VAL 114 CO 0.43 0.18 0.51 -2.16 -3.33 0.00 0.00 175.10 170.73 3d5a s PRO 115 N 1.58 3.80 -0.09 1.54 0.04 -1.26 -4.97 135.00 135.64 3d5a s PRO 115 Ca -0.02 0.24 -0.06 0.00 0.04 0.00 0.00 61.00 61.20 3d5a s PRO 115 Cb -0.13 -2.75 -0.24 0.00 0.04 0.00 0.00 34.50 31.42 3d5a s PRO 115 CO -0.03 0.39 3.37 0.72 0.04 0.00 0.00 177.00 181.48 3d5a n HIS 116 N 0.14 0.13 -3.05 0.56 8.25 -1.26 -4.68 115.22 115.31 3d5a n HIS 116 Ca -0.02 -1.48 -0.17 0.00 -0.26 0.00 0.00 57.72 55.79 3d5a n HIS 116 Cb 0.52 -1.56 0.02 0.00 1.12 0.00 0.00 29.99 30.09 3d5a n HIS 116 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3d5a n ASN 117 N 2.60 -7.21 0.00 0.41 4.05 -1.26 -5.00 115.26 108.85 3d5a n ASN 117 Ca 0.42 0.34 -0.02 0.00 0.45 0.00 0.00 54.58 55.77 3d5a n ASN 117 Cb 0.82 -4.23 -0.01 0.00 1.23 0.00 0.00 39.78 37.59 3d5a n ASN 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3d5a n GLY 118 N -0.23 -0.04 3.88 8.20 0.00 -1.26 -5.06 105.19 110.68 3d5a n GLY 118 Ca 0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3d5a n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5a s ARG 120 N -3.03 3.10 1.23 0.00 3.52 -1.26 -5.05 118.95 117.45 3d5a s ARG 120 Ca 0.47 -1.02 -0.14 0.00 -0.13 0.00 0.00 55.73 54.90 3d5a s ARG 120 Cb -0.11 -4.20 0.30 0.00 -1.56 0.00 0.00 34.95 29.38 3d5a s ARG 120 CO 0.24 -1.51 0.93 -2.30 -0.81 0.00 0.00 175.30 171.85 3d5a n PRO 121 N 6.66 -2.82 -0.42 5.12 -0.02 -1.26 -4.98 135.00 137.27 3d5a n PRO 121 Ca -0.07 -0.80 -0.27 0.00 -2.02 0.00 0.00 63.50 60.34 3d5a n PRO 121 Cb 0.44 -2.10 0.24 0.00 -0.02 0.00 0.00 33.50 32.06 3d5a n PRO 121 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3d5a n LYS 122 N -4.94 -3.27 0.09 -0.52 5.02 -1.26 -4.78 118.16 108.50 3d5a n LYS 122 Ca 0.03 -0.96 -0.02 0.00 -2.02 0.00 0.00 58.31 55.34 3d5a n LYS 122 Cb 0.55 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 3d5a n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3d5a h LYS 123 N -2.99 0.00 0.02 1.97 3.11 -1.94 -2.44 116.57 114.30 3d5a h LYS 123 Ca -0.45 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.17 3d5a h LYS 123 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 3d5a h LYS 123 CO 0.31 0.72 -0.96 -0.22 -2.81 0.00 0.00 179.45 176.48 3d5a h LYS 124 N 0.00 0.31 -0.16 1.90 3.11 -2.04 -2.85 116.57 116.83 3d5a h LYS 124 Ca -0.02 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 3d5a h LYS 124 Cb 1.59 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.93 3d5a h LYS 124 CO 0.09 1.07 0.00 1.19 -2.81 0.00 0.00 179.45 178.99 3d5a n PHE 125 N -3.68 0.20 -2.63 1.91 3.01 -1.23 -4.78 117.46 110.27 3d5a n PHE 125 Ca -0.06 -0.10 -0.42 0.00 1.01 0.00 0.00 57.45 57.89 3d5a n PHE 125 Cb 0.85 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.29 3d5a n PHE 125 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3d5a s ARG 126 N -1.80 3.40 0.00 -1.08 3.52 -0.92 -4.58 118.95 117.50 3d5a s ARG 126 Ca 0.29 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 3d5a s ARG 126 Cb 0.15 -4.78 0.00 0.00 -1.56 0.00 0.00 34.95 28.76 3d5a s ARG 126 CO 0.23 -2.10 0.00 1.63 -0.81 0.00 0.00 175.30 174.26 3d5a n LYS 127 N 8.66 3.08 -2.21 5.12 4.76 -1.26 -5.00 118.16 131.31 3d5a n LYS 127 Ca 0.18 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.20 3d5a n LYS 127 Cb 0.49 -0.91 -0.03 0.00 -1.84 0.00 0.00 35.03 32.75 3d5a n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d5a s ALA 128 N -1.81 2.73 0.00 7.82 0.00 -1.26 -5.28 121.76 123.95 3d5a s ALA 128 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3d5a s ALA 128 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.02 3d5a s ALA 128 CO 0.00 -2.97 0.44 0.45 0.00 0.00 0.00 175.76 173.68