#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4y s SER 2 N 0.00 6.98 -0.29 1.61 0.15 -1.26 -5.06 113.70 115.84 1x4y s SER 2 Ca 0.00 1.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.81 1x4y s SER 2 Cb 0.00 -2.33 0.18 0.00 -1.71 0.00 0.00 66.02 62.15 1x4y s SER 2 CO 0.00 0.25 0.54 -0.94 1.20 0.00 0.00 173.24 174.29 1x4y s SER 3 N -0.92 -0.96 0.00 5.45 1.04 -1.26 -5.10 113.70 111.95 1x4y s SER 3 Ca 0.28 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1x4y s SER 3 Cb -0.19 1.87 0.00 0.00 0.10 0.00 0.00 66.02 67.80 1x4y s SER 3 CO 0.17 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1x4y n GLY 4 N 5.41 0.00 3.71 7.32 0.00 -1.26 -5.10 105.19 115.28 1x4y n GLY 4 Ca -0.01 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1x4y n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4y s SER 5 N -4.00 7.17 -0.55 1.61 1.04 -1.26 -5.02 113.70 112.70 1x4y s SER 5 Ca 0.00 1.42 0.03 0.00 0.48 0.00 0.00 55.95 57.88 1x4y s SER 5 Cb 0.00 -2.49 0.14 0.00 0.10 0.00 0.00 66.02 63.77 1x4y s SER 5 CO 0.00 -0.19 0.30 -0.94 0.98 0.00 0.00 173.24 173.39 1x4y s SER 6 N 0.90 4.50 1.00 7.02 1.04 -1.26 -5.10 113.70 121.80 1x4y s SER 6 Ca 0.45 -3.02 -0.16 0.00 0.48 0.00 0.00 55.95 53.70 1x4y s SER 6 Cb -0.19 -1.68 0.21 0.00 0.10 0.00 0.00 66.02 64.45 1x4y s SER 6 CO 0.23 -0.25 1.27 -0.83 0.98 0.00 0.00 173.24 174.64 1x4y s GLY 7 N -0.15 1.73 -0.48 7.32 0.00 -1.26 -4.95 107.32 109.53 1x4y s GLY 7 Ca 0.17 -1.10 -0.27 0.00 0.00 0.00 0.00 44.72 43.51 1x4y s GLY 7 CO -0.01 -0.33 1.78 2.56 0.00 0.00 0.00 173.10 177.09 1x4y s PRO 8 N -5.77 3.02 -0.20 2.90 0.04 -1.26 -4.83 135.00 128.90 1x4y s PRO 8 Ca 0.72 0.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1x4y s PRO 8 Cb -0.06 -4.27 -0.20 0.00 0.04 0.00 0.00 34.50 30.02 1x4y s PRO 8 CO 0.53 -2.25 0.06 1.33 0.04 0.00 0.00 177.00 176.72 1x4y n VAL 9 N 7.27 1.61 -0.27 -0.36 0.24 -1.26 -3.26 118.33 122.30 1x4y n VAL 9 Ca 0.21 -0.46 0.24 0.00 -2.04 0.00 0.00 64.34 62.29 1x4y n VAL 9 Cb 0.49 -1.74 0.42 0.00 -1.47 0.00 0.00 33.84 31.54 1x4y n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4y n ALA 10 N -3.36 0.81 -1.50 2.33 0.00 -1.26 -2.19 120.51 115.34 1x4y n ALA 10 Ca -0.39 0.61 0.06 0.00 0.00 0.00 0.00 53.44 53.71 1x4y n ALA 10 Cb 0.93 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1x4y n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4y n GLY 11 N -1.27 -3.48 3.74 0.00 0.00 -1.26 -4.79 105.19 98.13 1x4y n GLY 11 Ca 0.26 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1x4y n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 12 N -5.00 1.60 -0.18 1.61 0.04 -1.26 -4.73 135.00 127.07 1x4y s PRO 12 Ca 0.00 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 61.95 1x4y s PRO 12 Cb 0.00 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1x4y s PRO 12 CO 0.00 -2.04 0.04 -0.47 0.04 0.00 0.00 177.00 174.57 1x4y s TYR 13 N -2.92 0.88 -0.04 0.56 5.04 -0.65 -4.49 117.35 115.74 1x4y s TYR 13 Ca 0.63 -0.73 -0.30 0.00 -2.44 0.00 0.00 57.07 54.23 1x4y s TYR 13 Cb -0.18 -0.96 -0.06 0.00 0.35 0.00 0.00 41.96 41.11 1x4y s TYR 13 CO 0.57 -0.58 1.73 0.42 -1.34 0.00 0.00 175.55 176.35 1x4y s ILE 14 N 1.91 3.45 -0.06 3.14 1.01 -1.26 -1.58 121.20 127.80 1x4y s ILE 14 Ca -0.00 0.54 0.09 0.00 0.00 0.00 0.00 60.65 61.27 1x4y s ILE 14 Cb -0.17 -3.35 0.13 0.00 0.01 0.00 0.00 42.46 39.08 1x4y s ILE 14 CO -0.08 -0.05 1.07 0.35 0.00 0.00 0.00 174.94 176.23 1x4y n THR 15 N 5.52 1.40 -3.66 2.92 -2.24 -1.00 -4.97 114.28 112.26 1x4y n THR 15 Ca 0.18 -1.57 -0.07 0.00 -2.27 0.00 0.00 64.05 60.32 1x4y n THR 15 Cb 0.42 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1x4y n THR 15 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x4y s PHE 16 N -1.85 -0.96 -0.19 4.78 5.36 -1.18 -5.00 117.98 118.94 1x4y s PHE 16 Ca 0.15 1.87 -0.04 0.00 -0.96 0.00 0.00 56.93 57.95 1x4y s PHE 16 Cb 0.13 0.53 0.09 0.00 -0.34 0.00 0.00 43.02 43.42 1x4y s PHE 16 CO 0.01 -0.50 0.21 0.95 -1.46 0.00 0.00 175.22 174.43 1x4y s THR 17 N 1.93 -0.31 -0.03 0.12 -4.23 -1.26 -1.78 115.64 110.08 1x4y s THR 17 Ca -0.08 -0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1x4y s THR 17 Cb -0.08 -0.64 0.02 0.00 1.34 0.00 0.00 72.50 73.14 1x4y s THR 17 CO -0.17 -0.18 0.08 1.51 -0.54 0.00 0.00 174.62 175.33 1x4y s ASP 18 N 2.31 -0.06 -0.28 3.99 -4.77 -0.43 -4.95 116.67 112.49 1x4y s ASP 18 Ca 0.06 0.16 -0.29 0.00 -3.30 0.00 0.00 52.55 49.18 1x4y s ASP 18 Cb -0.15 0.12 0.01 0.00 -1.09 0.00 0.00 42.92 41.80 1x4y s ASP 18 CO -0.11 -0.07 1.13 0.00 0.70 0.00 0.00 175.17 176.81 1x4y s ALA 19 N 0.47 3.54 0.05 2.11 0.00 -1.26 -0.38 121.76 126.28 1x4y s ALA 19 Ca -0.04 0.08 0.18 0.00 0.00 0.00 0.00 51.96 52.19 1x4y s ALA 19 Cb -0.05 -3.66 0.47 0.00 0.00 0.00 0.00 23.12 19.88 1x4y s ALA 19 CO -0.02 -1.39 1.63 0.28 0.00 0.00 0.00 175.76 176.26 1x4y h VAL 20 N 5.67 0.85 -2.41 0.00 2.07 -1.73 -3.46 116.25 117.24 1x4y h VAL 20 Ca -0.22 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.58 1x4y h VAL 20 Cb 1.07 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1x4y h VAL 20 CO 1.01 0.41 0.28 0.59 0.02 0.00 0.00 177.57 179.88 1x4y n ASN 21 N -3.40 -1.28 0.24 0.57 3.02 -0.54 -4.92 115.26 108.96 1x4y n ASN 21 Ca 0.01 -1.79 0.13 0.00 -0.03 0.00 0.00 54.58 52.89 1x4y n ASN 21 Cb 0.59 2.11 0.55 0.00 -0.61 0.00 0.00 39.78 42.42 1x4y n ASN 21 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1x4y h GLU 22 N 0.00 0.00 0.00 3.52 4.11 -1.92 -2.86 114.58 117.43 1x4y h GLU 22 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1x4y h GLU 22 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1x4y h GLU 22 CO 0.25 0.13 -0.06 0.25 0.07 0.00 0.00 179.01 179.65 1x4y n THR 23 N -3.29 0.95 -4.03 -1.06 -2.24 -1.26 -2.63 114.28 100.73 1x4y n THR 23 Ca 0.00 -1.06 -0.12 0.00 -2.27 0.00 0.00 64.05 60.60 1x4y n THR 23 Cb 0.38 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 1x4y n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4y s THR 24 N -1.24 0.33 -0.03 4.28 2.01 -1.17 -2.39 115.64 117.42 1x4y s THR 24 Ca 0.09 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 1x4y s THR 24 Cb 0.08 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.19 1x4y s THR 24 CO 0.01 -0.35 0.08 -0.63 -0.69 0.00 0.00 174.62 173.04 1x4y s ILE 25 N -1.18 -0.01 -0.17 1.82 1.01 -0.42 -1.46 121.20 120.78 1x4y s ILE 25 Ca -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1x4y s ILE 25 Cb -0.08 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.25 1x4y s ILE 25 CO -0.00 0.02 -0.13 -0.32 0.00 0.00 0.00 174.94 174.51 1x4y s MET 26 N 0.32 3.23 -0.00 2.79 -2.45 0.49 -0.62 119.30 123.06 1x4y s MET 26 Ca -0.02 -0.73 0.02 0.00 -1.25 0.00 0.00 55.69 53.71 1x4y s MET 26 Cb -0.03 -2.70 -0.01 0.00 1.25 0.00 0.00 34.83 33.33 1x4y s MET 26 CO -0.01 -0.05 -0.08 -0.48 1.05 0.00 0.00 175.02 175.45 1x4y s LEU 27 N 1.00 2.04 -0.05 4.11 2.34 -1.05 -1.31 118.68 125.76 1x4y s LEU 27 Ca -0.02 -0.18 0.05 0.00 0.06 0.00 0.00 54.13 54.05 1x4y s LEU 27 Cb -0.15 -0.38 -0.02 0.00 -0.56 0.00 0.00 46.19 45.09 1x4y s LEU 27 CO -0.02 0.07 -0.21 -0.54 -1.06 0.00 0.00 176.35 174.59 1x4y s LYS 28 N -0.31 2.46 0.20 1.48 3.01 -0.73 -2.91 119.74 122.93 1x4y s LYS 28 Ca 0.02 -0.83 0.10 0.00 -1.01 0.00 0.00 55.97 54.25 1x4y s LYS 28 Cb -0.04 -2.23 -0.04 0.00 -1.01 0.00 0.00 37.83 34.51 1x4y s LYS 28 CO -0.00 0.50 -0.12 1.67 0.51 0.00 0.00 175.35 177.91 1x4y s TRP 29 N -0.45 2.55 0.25 3.18 -2.14 -1.04 -2.36 118.94 118.92 1x4y s TRP 29 Ca 0.05 -0.26 0.11 0.00 2.66 0.00 0.00 56.10 58.66 1x4y s TRP 29 Cb -0.12 -1.23 -0.05 0.00 -3.10 0.00 0.00 33.47 28.98 1x4y s TRP 29 CO 0.01 0.54 -0.13 0.00 -2.66 0.00 0.00 176.95 174.70 1x4y s MET 30 N -2.93 1.89 -0.00 3.25 0.23 -0.62 -4.87 119.30 116.26 1x4y s MET 30 Ca 0.25 -1.56 0.07 0.00 -1.03 0.00 0.00 55.69 53.42 1x4y s MET 30 Cb -0.08 -1.95 -0.03 0.00 -1.53 0.00 0.00 34.83 31.25 1x4y s MET 30 CO 0.15 0.36 -0.22 -0.47 -2.03 0.00 0.00 175.02 172.81 1x4y s TYR 31 N -2.23 2.45 -0.61 3.16 6.14 -1.26 -1.64 117.35 123.36 1x4y s TYR 31 Ca 0.28 -0.34 -0.12 0.00 0.64 0.00 0.00 57.07 57.54 1x4y s TYR 31 Cb -0.06 -1.50 0.16 0.00 0.42 0.00 0.00 41.96 40.97 1x4y s TYR 31 CO 0.16 0.10 0.52 0.42 0.64 0.00 0.00 175.55 177.38 1x4y s ILE 32 N -0.73 4.84 0.13 3.14 -1.09 -1.26 -4.90 121.20 121.32 1x4y s ILE 32 Ca 0.12 -2.03 0.34 0.00 -2.23 0.00 0.00 60.65 56.84 1x4y s ILE 32 Cb -0.10 -4.09 0.39 0.00 -1.58 0.00 0.00 42.46 37.07 1x4y s ILE 32 CO 0.01 -0.89 2.00 1.55 -1.23 0.00 0.00 174.94 176.38 1x4y h PRO 33 N 8.23 0.00 0.00 2.79 0.13 -1.98 -3.27 132.00 137.89 1x4y h PRO 33 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1x4y h PRO 33 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1x4y h PRO 33 CO 0.87 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 1x4y n ALA 34 N -2.10 -0.35 -0.67 -0.56 0.00 -1.26 -3.07 120.51 112.51 1x4y n ALA 34 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1x4y n ALA 34 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.76 1x4y n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x4y n SER 35 N -1.58 5.70 -4.72 0.00 2.88 -1.25 -4.87 113.62 109.79 1x4y n SER 35 Ca 0.00 -2.63 -0.26 0.00 -1.33 0.00 0.00 58.87 54.65 1x4y n SER 35 Cb 0.00 -1.13 -0.07 0.00 -0.75 0.00 0.00 64.21 62.26 1x4y n SER 35 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1x4y s ASN 36 N 1.42 5.08 -0.17 -3.46 2.47 -1.17 -4.64 114.94 114.46 1x4y s ASN 36 Ca 0.15 -0.29 0.10 0.00 0.42 0.00 0.00 52.86 53.24 1x4y s ASN 36 Cb 0.10 -1.19 0.58 0.00 -1.45 0.00 0.00 41.25 39.29 1x4y s ASN 36 CO -0.01 0.08 1.38 0.59 -3.72 0.00 0.00 177.10 175.42 1x4y n ASN 37 N -0.22 4.33 -3.98 -4.21 3.02 -1.26 -4.90 115.26 108.04 1x4y n ASN 37 Ca -0.09 -2.65 -0.29 0.00 -0.03 0.00 0.00 54.58 51.52 1x4y n ASN 37 Cb 0.55 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1x4y n ASN 37 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1x4y n ASN 38 N 0.44 -2.29 -4.63 6.41 3.02 -1.26 -4.95 115.26 111.99 1x4y n ASN 38 Ca 0.19 -0.93 -0.35 0.00 -0.03 0.00 0.00 54.58 53.47 1x4y n ASN 38 Cb 0.92 -3.32 -0.10 0.00 -0.61 0.00 0.00 39.78 36.67 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x4y s THR 39 N -3.59 4.19 0.33 3.41 -1.32 -1.26 -5.10 115.64 112.31 1x4y s THR 39 Ca 0.36 -0.28 -0.28 0.00 -1.21 0.00 0.00 61.69 60.27 1x4y s THR 39 Cb -0.19 -2.78 -0.10 0.00 -1.51 0.00 0.00 72.50 67.93 1x4y s THR 39 CO 0.87 0.57 1.22 -2.16 -2.21 0.00 0.00 174.62 172.91 1x4y s PRO 40 N -0.53 4.36 -0.10 7.08 0.04 -1.26 -4.99 135.00 139.60 1x4y s PRO 40 Ca 0.09 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1x4y s PRO 40 Cb -0.12 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1x4y s PRO 40 CO 0.02 -0.11 0.00 0.42 0.04 0.00 0.00 177.00 177.37 1x4y s ILE 41 N -1.21 4.31 0.07 0.56 1.01 -1.26 -4.65 121.20 120.03 1x4y s ILE 41 Ca 0.50 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1x4y s ILE 41 Cb -0.35 -2.83 -0.16 0.00 0.01 0.00 0.00 42.46 39.13 1x4y s ILE 41 CO 0.46 0.58 1.28 0.45 0.00 0.00 0.00 174.94 177.72 1x4y h HIS 42 N 5.44 0.86 0.00 3.97 3.86 -1.87 -3.42 115.15 123.98 1x4y h HIS 42 Ca -0.48 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.37 1x4y h HIS 42 Cb 1.19 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1x4y h HIS 42 CO 0.62 1.16 0.00 0.41 0.86 0.00 0.00 177.93 180.97 1x4y n GLY 43 N 0.63 2.31 3.08 2.45 0.00 -1.23 -2.82 105.19 109.61 1x4y n GLY 43 Ca -0.07 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1x4y n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4y s PHE 44 N -0.89 -0.38 -0.11 1.61 0.08 0.21 -3.97 117.98 114.53 1x4y s PHE 44 Ca 0.00 0.88 -0.08 0.00 0.12 0.00 0.00 56.93 57.85 1x4y s PHE 44 Cb 0.00 0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 1x4y s PHE 44 CO 0.00 -0.26 0.17 0.71 -0.10 0.00 0.00 175.22 175.74 1x4y s TYR 45 N 1.40 3.61 -0.08 0.36 2.02 0.16 0.13 117.35 124.95 1x4y s TYR 45 Ca -0.08 0.58 0.01 0.00 -0.37 0.00 0.00 57.07 57.21 1x4y s TYR 45 Cb -0.10 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1x4y s TYR 45 CO -0.09 0.71 -0.10 0.42 -1.57 0.00 0.00 175.55 174.92 1x4y s ILE 46 N -0.99 1.06 0.09 2.71 1.01 -0.12 0.22 121.20 125.18 1x4y s ILE 46 Ca 0.16 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.48 1x4y s ILE 46 Cb -0.13 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1x4y s ILE 46 CO 0.05 0.35 -0.02 -0.31 0.00 0.00 0.00 174.94 175.02 1x4y s TYR 47 N 1.12 2.96 -0.00 3.97 1.51 -0.28 -0.02 117.35 126.60 1x4y s TYR 47 Ca -0.06 -0.04 -0.28 0.00 -1.01 0.00 0.00 57.07 55.68 1x4y s TYR 47 Cb -0.14 -1.53 0.07 0.00 -0.11 0.00 0.00 41.96 40.24 1x4y s TYR 47 CO -0.02 0.47 0.63 1.52 -1.11 0.00 0.00 175.55 177.04 1x4y s TYR 48 N -1.28 -0.59 -0.28 2.71 1.13 -1.25 -3.01 117.35 114.78 1x4y s TYR 48 Ca 0.25 0.88 -0.26 0.00 -1.41 0.00 0.00 57.07 56.53 1x4y s TYR 48 Cb -0.12 0.41 0.15 0.00 -1.10 0.00 0.00 41.96 41.31 1x4y s TYR 48 CO 0.17 -0.64 1.21 -0.98 -2.51 0.00 0.00 175.55 172.80 1x4y s ARG 49 N -1.77 0.31 0.30 -3.49 1.04 -1.26 -2.04 118.95 112.04 1x4y s ARG 49 Ca -0.08 0.31 -0.29 0.00 -1.04 0.00 0.00 55.73 54.63 1x4y s ARG 49 Cb -0.00 0.15 -0.10 0.00 -2.04 0.00 0.00 34.95 32.96 1x4y s ARG 49 CO 0.05 -0.05 1.23 -1.25 -0.04 0.00 0.00 175.30 175.24 1x4y s PRO 50 N -0.06 4.46 0.66 3.89 0.04 -1.26 -4.27 135.00 138.46 1x4y s PRO 50 Ca 0.05 2.06 0.36 0.00 0.04 0.00 0.00 61.00 63.50 1x4y s PRO 50 Cb -0.04 -3.12 1.95 0.00 0.04 0.00 0.00 34.50 33.32 1x4y s PRO 50 CO -0.09 -0.05 2.11 0.00 0.04 0.00 0.00 177.00 179.01 1x4y h THR 51 N 3.10 0.03 0.00 1.26 1.03 -1.94 0.27 112.91 116.66 1x4y h THR 51 Ca -0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.89 1x4y h THR 51 Cb 1.22 0.80 -0.00 0.00 -1.07 0.00 0.00 68.15 69.10 1x4y h THR 51 CO 0.67 0.00 -0.16 -0.78 -0.01 0.00 0.00 175.52 175.23 1x4y h ASP 52 N 0.00 0.00 -2.11 0.00 1.82 -1.94 -3.45 116.42 110.75 1x4y h ASP 52 Ca 0.01 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.43 1x4y h ASP 52 Cb 0.41 0.00 0.13 0.00 0.68 0.00 0.00 39.33 40.54 1x4y h ASP 52 CO -0.00 0.16 -0.10 -1.20 -1.61 0.00 0.00 179.24 176.49 1x4y n SER 53 N -3.31 -3.26 -0.08 2.28 7.64 0.94 -5.00 113.62 112.84 1x4y n SER 53 Ca 0.00 -0.52 -0.06 0.00 1.01 0.00 0.00 58.87 59.31 1x4y n SER 53 Cb 0.41 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 1x4y n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x4y n ASP 54 N -2.44 1.79 -2.30 6.43 -0.08 -1.26 -5.08 116.55 113.62 1x4y n ASP 54 Ca 0.08 0.48 -0.09 0.00 -1.51 0.00 0.00 54.79 53.75 1x4y n ASP 54 Cb 0.35 -0.80 -0.01 0.00 2.34 0.00 0.00 41.12 43.00 1x4y n ASP 54 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1x4y n ASN 55 N -4.46 -1.01 0.29 1.67 0.23 -1.26 -4.99 115.26 105.73 1x4y n ASN 55 Ca -0.10 -2.22 0.10 0.00 -0.53 0.00 0.00 54.58 51.83 1x4y n ASN 55 Cb 0.37 1.83 0.53 0.00 -2.08 0.00 0.00 39.78 40.42 1x4y n ASN 55 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1x4y h ASP 56 N 1.31 0.00 0.00 0.53 2.03 -1.98 -0.28 116.42 118.03 1x4y h ASP 56 Ca -0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1x4y h ASP 56 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1x4y h ASP 56 CO 0.25 0.00 0.30 0.28 -1.03 0.00 0.00 179.24 179.05 1x4y h SER 57 N 0.00 0.00 0.12 4.15 0.02 -2.03 0.21 113.55 116.02 1x4y h SER 57 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1x4y h SER 57 Cb 0.95 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 1x4y h SER 57 CO 0.00 0.00 -2.17 -0.67 -1.14 0.00 0.00 176.83 172.85 1x4y n ASP 58 N -2.30 1.64 -3.66 3.07 -0.08 -0.12 -4.95 116.55 110.15 1x4y n ASP 58 Ca -0.01 0.10 -0.52 0.00 -1.51 0.00 0.00 54.79 52.85 1x4y n ASP 58 Cb 0.33 -0.37 -0.08 0.00 2.34 0.00 0.00 41.12 43.35 1x4y n ASP 58 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1x4y n TYR 59 N -3.26 1.22 -2.36 -0.67 4.01 0.73 -4.87 117.16 111.96 1x4y n TYR 59 Ca -0.35 0.88 -0.12 0.00 -0.16 0.00 0.00 57.90 58.15 1x4y n TYR 59 Cb 1.04 -1.71 0.07 0.00 -0.31 0.00 0.00 39.34 38.42 1x4y n TYR 59 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1x4y n LYS 60 N 2.78 0.17 -3.68 -0.72 5.02 -0.87 -4.86 118.16 116.00 1x4y n LYS 60 Ca 0.23 -1.39 -0.14 0.00 -2.02 0.00 0.00 58.31 54.99 1x4y n LYS 60 Cb -0.03 -0.37 -0.14 0.00 -0.02 0.00 0.00 35.03 34.47 1x4y n LYS 60 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x4y s LYS 61 N -3.85 0.12 -0.26 1.97 2.20 -1.25 -3.88 119.74 114.80 1x4y s LYS 61 Ca 0.35 0.61 0.01 0.00 -0.36 0.00 0.00 55.97 56.58 1x4y s LYS 61 Cb -0.02 -0.14 0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1x4y s LYS 61 CO 0.23 -0.26 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.43 1x4y s ASP 62 N 2.05 4.01 0.59 1.43 1.11 0.97 -4.87 116.67 121.96 1x4y s ASP 62 Ca -0.01 -1.36 -0.17 0.00 0.18 0.00 0.00 52.55 51.19 1x4y s ASP 62 Cb -0.12 -1.22 -0.04 0.00 1.07 0.00 0.00 42.92 42.62 1x4y s ASP 62 CO -0.07 -0.27 1.08 -0.32 1.18 0.00 0.00 175.17 176.77 1x4y s MET 63 N 1.34 3.24 -0.05 8.23 1.75 -1.25 -0.94 119.30 131.61 1x4y s MET 63 Ca -0.02 1.34 -0.07 0.00 -1.25 0.00 0.00 55.69 55.69 1x4y s MET 63 Cb -0.19 -2.01 0.01 0.00 2.84 0.00 0.00 34.83 35.48 1x4y s MET 63 CO -0.08 -0.90 0.17 0.08 -0.65 0.00 0.00 175.02 173.65 1x4y s VAL 64 N -2.26 0.02 0.27 10.11 1.01 0.35 -4.88 120.40 125.03 1x4y s VAL 64 Ca 0.66 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 1x4y s VAL 64 Cb -0.19 -0.31 -0.16 0.00 0.00 0.00 0.00 36.38 35.72 1x4y s VAL 64 CO 0.35 -0.10 0.51 -0.62 0.00 0.00 0.00 175.10 175.23 1x4y n GLU 65 N 2.56 0.23 0.24 2.72 -0.58 -1.26 0.66 120.64 125.21 1x4y n GLU 65 Ca -0.15 0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.74 1x4y n GLU 65 Cb 0.58 -1.16 0.57 0.00 -0.57 0.00 0.00 31.44 30.87 1x4y n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x4y h GLY 66 N 0.99 0.00 1.21 0.62 0.00 -1.78 -0.92 103.07 103.19 1x4y h GLY 66 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1x4y h GLY 66 CO 0.55 0.00 -0.15 1.22 0.00 0.00 0.00 176.54 178.16 1x4y n ASP 67 N -4.24 0.34 -4.76 0.19 9.92 -1.26 -4.82 116.55 111.92 1x4y n ASP 67 Ca -0.02 -0.24 -0.38 0.00 -0.53 0.00 0.00 54.79 53.61 1x4y n ASP 67 Cb 0.21 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 1x4y n ASP 67 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1x4y s ARG 68 N -2.70 4.23 -0.02 -1.24 6.06 -0.35 -4.96 118.95 119.98 1x4y s ARG 68 Ca 0.22 0.52 0.04 0.00 -2.50 0.00 0.00 55.73 54.02 1x4y s ARG 68 Cb 0.19 -3.35 0.10 0.00 0.06 0.00 0.00 34.95 31.95 1x4y s ARG 68 CO 0.53 0.35 1.08 0.66 -2.50 0.00 0.00 175.30 175.42 1x4y n TYR 69 N 2.92 0.12 -3.94 5.12 4.02 -1.26 -4.80 117.16 119.34 1x4y n TYR 69 Ca -0.09 -0.56 -0.10 0.00 -0.01 0.00 0.00 57.90 57.14 1x4y n TYR 69 Cb 0.52 -0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.67 1x4y n TYR 69 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 1x4y s TRP 70 N -1.23 0.17 -0.06 -0.72 1.48 -1.26 -2.50 118.94 114.81 1x4y s TRP 70 Ca 0.09 -0.37 -0.16 0.00 -1.06 0.00 0.00 56.10 54.60 1x4y s TRP 70 Cb 0.06 -0.13 0.03 0.00 -1.16 0.00 0.00 33.47 32.27 1x4y s TRP 70 CO 0.04 -0.23 0.38 -1.58 -4.06 0.00 0.00 176.95 171.50 1x4y s HIS 71 N -1.41 -0.31 -0.33 1.66 2.46 -1.15 -5.02 115.29 111.19 1x4y s HIS 71 Ca -0.15 0.60 0.03 0.00 0.47 0.00 0.00 55.06 56.01 1x4y s HIS 71 Cb -0.09 0.15 0.09 0.00 -0.13 0.00 0.00 32.58 32.60 1x4y s HIS 71 CO 0.00 -0.36 0.03 -1.54 -2.47 0.00 0.00 174.74 170.40 1x4y s SER 72 N -0.85 4.75 0.45 9.88 1.04 -1.26 -2.53 113.70 125.19 1x4y s SER 72 Ca -0.09 -2.02 -0.23 0.00 0.48 0.00 0.00 55.95 54.08 1x4y s SER 72 Cb -0.04 -1.63 -0.08 0.00 0.10 0.00 0.00 66.02 64.38 1x4y s SER 72 CO 0.04 -0.36 1.17 -0.63 0.98 0.00 0.00 173.24 174.44 1x4y s ILE 73 N 0.95 3.08 0.36 -1.02 1.01 0.21 -4.81 121.20 120.99 1x4y s ILE 73 Ca 0.08 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.60 1x4y s ILE 73 Cb -0.19 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1x4y s ILE 73 CO -0.07 0.01 0.16 -0.44 0.00 0.00 0.00 174.94 174.60 1x4y s SER 74 N -1.29 2.22 -1.13 3.58 0.01 -1.26 -1.30 113.70 114.53 1x4y s SER 74 Ca 0.62 -1.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.23 1x4y s SER 74 Cb -0.29 0.47 -0.00 0.00 0.21 0.00 0.00 66.02 66.40 1x4y s SER 74 CO 0.36 -0.94 0.94 1.41 0.41 0.00 0.00 173.24 175.43 1x4y n HIS 75 N -0.76 -2.09 -4.10 2.43 8.25 -1.01 -4.97 115.22 112.98 1x4y n HIS 75 Ca -0.01 0.89 -0.17 0.00 -0.26 0.00 0.00 57.72 58.17 1x4y n HIS 75 Cb 0.64 -4.89 -0.02 0.00 1.12 0.00 0.00 29.99 26.85 1x4y n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1x4y n LEU 76 N -3.93 0.00 -4.87 2.41 4.77 -1.17 -5.09 117.00 109.12 1x4y n LEU 76 Ca -0.27 -1.71 -0.36 0.00 -0.03 0.00 0.00 56.01 53.64 1x4y n LEU 76 Cb 0.66 0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1x4y n LEU 76 CO 0.58 -0.34 -0.18 -1.10 -1.33 0.00 0.00 177.39 175.02 1x4y s GLN 77 N -3.14 3.42 0.64 3.23 1.11 -1.26 -4.66 119.66 118.99 1x4y s GLN 77 Ca 0.08 -0.18 -0.16 0.00 0.01 0.00 0.00 55.36 55.12 1x4y s GLN 77 Cb -0.01 -3.15 -0.01 0.00 -1.01 0.00 0.00 33.01 28.83 1x4y s GLN 77 CO 0.05 0.76 1.11 -1.25 0.01 0.00 0.00 175.29 175.97 1x4y s PRO 78 N -1.17 2.91 -0.95 2.91 0.04 -1.08 -3.36 135.00 134.30 1x4y s PRO 78 Ca 0.17 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1x4y s PRO 78 Cb -0.12 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.58 1x4y s PRO 78 CO 0.06 -1.17 0.30 -0.85 0.04 0.00 0.00 177.00 175.38 1x4y n GLU 79 N -2.20 -1.23 -3.66 4.56 0.28 0.10 -4.81 120.64 113.68 1x4y n GLU 79 Ca 0.11 0.07 -0.39 0.00 -0.16 0.00 0.00 57.16 56.79 1x4y n GLU 79 Cb 0.52 -3.21 -0.11 0.00 1.43 0.00 0.00 31.44 30.07 1x4y n GLU 79 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x4y s THR 80 N -2.23 3.99 -0.66 3.84 2.01 -1.21 -4.86 115.64 116.52 1x4y s THR 80 Ca 0.42 -1.46 -0.28 0.00 0.31 0.00 0.00 61.69 60.68 1x4y s THR 80 Cb -0.25 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1x4y s THR 80 CO 0.52 -0.48 1.26 -0.55 -0.69 0.00 0.00 174.62 174.67 1x4y s SER 81 N 1.96 6.27 0.13 3.53 0.15 -1.26 -3.73 113.70 120.75 1x4y s SER 81 Ca 0.03 -0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.57 1x4y s SER 81 Cb -0.22 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 1x4y s SER 81 CO 0.01 -1.69 -0.13 -0.72 1.20 0.00 0.00 173.24 171.91 1x4y s TYR 82 N 5.47 1.40 0.61 3.44 -0.85 -1.26 -4.59 117.35 121.56 1x4y s TYR 82 Ca 0.40 -0.59 -0.16 0.00 -0.52 0.00 0.00 57.07 56.20 1x4y s TYR 82 Cb -0.08 -0.72 -0.03 0.00 0.38 0.00 0.00 41.96 41.51 1x4y s TYR 82 CO 0.20 0.15 1.10 -0.51 -1.52 0.00 0.00 175.55 174.97 1x4y s ASP 83 N -2.62 5.47 -0.07 -0.18 1.01 -1.26 -3.58 116.67 115.43 1x4y s ASP 83 Ca 0.11 1.98 -0.06 0.00 0.71 0.00 0.00 52.55 55.29 1x4y s ASP 83 Cb -0.03 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1x4y s ASP 83 CO 0.03 -1.38 0.18 -0.63 0.21 0.00 0.00 175.17 173.57 1x4y s ILE 84 N -2.24 -0.00 0.22 0.77 1.01 0.00 -4.20 121.20 116.76 1x4y s ILE 84 Ca 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 61.18 1x4y s ILE 84 Cb -0.20 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.02 1x4y s ILE 84 CO 0.36 0.00 0.49 -1.59 0.00 0.00 0.00 174.94 174.20 1x4y s LYS 85 N 0.11 1.47 0.08 2.79 -2.85 -1.16 -0.75 119.74 119.42 1x4y s LYS 85 Ca -0.00 -1.10 -0.17 0.00 -1.00 0.00 0.00 55.97 53.70 1x4y s LYS 85 Cb -0.01 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.27 1x4y s LYS 85 CO 0.00 -0.61 0.39 0.00 0.10 0.00 0.00 175.35 175.23 1x4y s MET 86 N -3.96 0.97 -0.01 1.78 0.23 -1.26 -1.12 119.30 115.92 1x4y s MET 86 Ca 0.17 -0.54 -0.06 0.00 -1.03 0.00 0.00 55.69 54.23 1x4y s MET 86 Cb -0.01 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1x4y s MET 86 CO 0.04 -0.35 0.12 -1.14 -2.03 0.00 0.00 175.02 171.66 1x4y s GLN 87 N -3.07 0.39 0.38 3.16 0.74 0.13 -2.83 119.66 118.56 1x4y s GLN 87 Ca -0.02 -0.29 0.04 0.00 0.05 0.00 0.00 55.36 55.15 1x4y s GLN 87 Cb 0.01 0.16 -0.01 0.00 1.10 0.00 0.00 33.01 34.27 1x4y s GLN 87 CO -0.07 -0.08 0.55 0.00 -0.55 0.00 0.00 175.29 175.14 1x4y s PHE 89 N -2.32 -0.41 0.17 0.00 -0.71 -1.25 -0.72 117.98 112.74 1x4y s PHE 89 Ca 0.46 0.19 -0.24 0.00 -1.04 0.00 0.00 56.93 56.30 1x4y s PHE 89 Cb -0.10 0.43 0.06 0.00 -1.21 0.00 0.00 43.02 42.20 1x4y s PHE 89 CO 0.34 -0.77 0.91 0.54 -1.34 0.00 0.00 175.22 174.90 1x4y s ASN 90 N -2.67 -0.20 0.40 1.98 2.20 -1.10 -2.63 114.94 112.92 1x4y s ASN 90 Ca 0.01 -0.42 0.33 0.00 -0.94 0.00 0.00 52.86 51.84 1x4y s ASN 90 Cb 0.00 0.53 1.32 0.00 -2.00 0.00 0.00 41.25 41.10 1x4y s ASN 90 CO -0.11 -0.97 1.29 1.21 -2.94 0.00 0.00 177.10 175.58 1x4y n GLU 91 N -0.46 -0.02 -0.04 3.55 2.13 -1.26 0.16 120.64 124.70 1x4y n GLU 91 Ca -0.06 0.98 -0.13 0.00 0.66 0.00 0.00 57.16 58.61 1x4y n GLU 91 Cb 0.60 -2.06 -0.08 0.00 0.27 0.00 0.00 31.44 30.18 1x4y n GLU 91 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x4y h GLY 92 N 0.00 0.24 0.00 8.31 0.00 -1.94 -3.50 103.07 106.18 1x4y h GLY 92 Ca 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1x4y h GLY 92 CO -0.23 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1x4y n GLY 93 N 0.15 1.84 3.75 4.60 0.00 0.41 -4.58 105.19 111.37 1x4y n GLY 93 Ca -0.07 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 1x4y n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4y s GLU 94 N -1.96 4.67 0.88 1.61 2.02 -1.26 -2.71 118.70 121.94 1x4y s GLU 94 Ca 0.00 1.73 -0.13 0.00 0.02 0.00 0.00 54.97 56.59 1x4y s GLU 94 Cb 0.00 -3.22 0.20 0.00 0.10 0.00 0.00 34.13 31.21 1x4y s GLU 94 CO 0.00 0.24 1.19 -1.13 0.02 0.00 0.00 175.26 175.58 1x4y n SER 95 N 1.46 0.27 -4.61 -0.19 3.41 0.10 -4.85 113.62 109.20 1x4y n SER 95 Ca -0.01 -1.54 -0.29 0.00 -0.26 0.00 0.00 58.87 56.78 1x4y n SER 95 Cb 0.45 -0.90 0.20 0.00 -0.26 0.00 0.00 64.21 63.71 1x4y n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4y s GLU 96 N -5.59 -0.03 -0.15 4.33 2.02 -0.93 -4.78 118.70 113.57 1x4y s GLU 96 Ca 0.69 0.62 -0.26 0.00 0.02 0.00 0.00 54.97 56.04 1x4y s GLU 96 Cb -0.02 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 1x4y s GLU 96 CO 0.48 -3.07 0.86 -0.06 0.02 0.00 0.00 175.26 173.49 1x4y s PHE 97 N -2.80 3.45 1.35 1.61 0.40 -1.26 -4.64 117.98 116.09 1x4y s PHE 97 Ca 0.66 1.33 -0.20 0.00 -0.60 0.00 0.00 56.93 58.12 1x4y s PHE 97 Cb -0.21 -3.04 0.35 0.00 0.51 0.00 0.00 43.02 40.63 1x4y s PHE 97 CO 0.60 -0.22 0.95 -1.54 0.70 0.00 0.00 175.22 175.71 1x4y s SER 98 N 1.12 -0.53 0.73 1.36 1.04 -1.13 -4.99 113.70 111.30 1x4y s SER 98 Ca 0.40 1.05 -0.11 0.00 0.48 0.00 0.00 55.95 57.77 1x4y s SER 98 Cb -0.17 -1.55 0.03 0.00 0.10 0.00 0.00 66.02 64.43 1x4y s SER 98 CO 0.14 -5.07 1.07 0.54 0.98 0.00 0.00 173.24 170.90 1x4y s ASN 99 N -2.94 5.08 -0.29 7.02 6.03 -1.26 -4.82 114.94 123.77 1x4y s ASN 99 Ca 0.69 1.56 -0.21 0.00 -1.03 0.00 0.00 52.86 53.87 1x4y s ASN 99 Cb -0.17 -2.39 -0.01 0.00 -3.03 0.00 0.00 41.25 35.65 1x4y s ASN 99 CO 0.60 -1.63 0.69 -0.69 -2.03 0.00 0.00 177.10 174.04 1x4y s VAL 100 N -3.06 4.90 -0.19 3.54 1.01 -1.26 -4.56 120.40 120.79 1x4y s VAL 100 Ca 0.59 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.58 1x4y s VAL 100 Cb -0.14 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1x4y s VAL 100 CO 0.55 -0.14 -0.05 -0.04 0.00 0.00 0.00 175.10 175.42 1x4y s MET 101 N 2.70 3.48 -0.66 2.72 1.00 0.07 -4.90 119.30 123.71 1x4y s MET 101 Ca 0.28 -0.60 -0.19 0.00 0.00 0.00 0.00 55.69 55.18 1x4y s MET 101 Cb -0.15 -2.93 0.11 0.00 0.00 0.00 0.00 34.83 31.86 1x4y s MET 101 CO 0.11 -0.00 0.80 0.42 0.00 0.00 0.00 175.02 176.35 1x4y s ILE 102 N 0.97 4.79 -0.40 2.53 1.01 -1.26 -0.82 121.20 128.03 1x4y s ILE 102 Ca -0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 1x4y s ILE 102 Cb -0.15 -4.55 0.07 0.00 0.01 0.00 0.00 42.46 37.84 1x4y s ILE 102 CO 0.01 -1.21 0.22 0.00 0.00 0.00 0.00 174.94 173.95 1x4y s GLU 104 N 1.40 4.42 1.11 0.00 2.12 -1.26 -4.37 118.70 122.13 1x4y s GLU 104 Ca 0.02 1.60 -0.16 0.00 0.36 0.00 0.00 54.97 56.79 1x4y s GLU 104 Cb -0.22 -3.49 0.24 0.00 0.26 0.00 0.00 34.13 30.92 1x4y s GLU 104 CO 0.02 -0.31 1.11 0.95 -0.54 0.00 0.00 175.26 176.48 1x4y s THR 105 N 1.72 1.79 0.41 -1.70 -4.23 -1.24 -4.53 115.64 107.85 1x4y s THR 105 Ca 0.54 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 1x4y s THR 105 Cb -0.24 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.00 1x4y s THR 105 CO 0.24 0.00 0.98 -0.54 -0.54 0.00 0.00 174.62 174.76 1x4y s LYS 106 N -5.22 4.21 -0.03 3.99 -0.14 -1.09 -3.68 119.74 117.78 1x4y s LYS 106 Ca 0.68 1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 56.28 1x4y s LYS 106 Cb -0.14 -2.36 -0.05 0.00 -1.68 0.00 0.00 37.83 33.61 1x4y s LYS 106 CO 0.57 -0.07 1.43 0.00 -0.76 0.00 0.00 175.35 176.52 1x4y s ALA 107 N -1.93 3.60 -0.64 5.17 0.00 -1.26 0.02 121.76 126.71 1x4y s ALA 107 Ca 0.60 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 1x4y s ALA 107 Cb -0.15 -3.63 -0.24 0.00 0.00 0.00 0.00 23.12 19.11 1x4y s ALA 107 CO 0.19 -1.03 1.85 2.89 0.00 0.00 0.00 175.76 179.66 1x4y n ARG 108 N 5.84 0.72 -4.47 0.00 1.85 -1.26 -4.83 116.66 114.50 1x4y n ARG 108 Ca 0.14 -1.64 -0.21 0.00 -1.00 0.00 0.00 57.85 55.14 1x4y n ARG 108 Cb 0.44 -3.13 -0.14 0.00 -1.05 0.00 0.00 32.46 28.58 1x4y n ARG 108 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1x4y s SER 109 N 6.67 1.77 0.59 2.89 0.01 -1.26 -5.09 113.70 119.27 1x4y s SER 109 Ca 0.68 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 57.35 1x4y s SER 109 Cb 0.08 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1x4y s SER 109 CO 0.22 0.09 1.14 -0.83 0.41 0.00 0.00 173.24 174.26 1x4y s GLY 110 N -0.93 2.52 0.54 3.44 0.00 -1.26 -5.00 107.32 106.63 1x4y s GLY 110 Ca 0.03 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.34 1x4y s GLY 110 CO 0.01 1.15 1.13 2.56 0.00 0.00 0.00 173.10 177.94 1x4y s PRO 111 N -3.51 3.35 0.73 2.90 0.04 -1.26 -5.05 135.00 132.21 1x4y s PRO 111 Ca 0.72 1.61 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 1x4y s PRO 111 Cb -0.24 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.37 1x4y s PRO 111 CO 0.32 -0.85 1.05 -1.54 0.04 0.00 0.00 177.00 176.02 1x4y s SER 112 N -1.78 4.64 0.00 6.66 1.04 -1.26 -5.04 113.70 117.96 1x4y s SER 112 Ca 0.73 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1x4y s SER 112 Cb -0.24 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 64.88 1x4y s SER 112 CO 0.27 -1.72 0.00 -1.20 0.98 0.00 0.00 173.24 171.57 1x4y n SER 113 N -3.01 1.85 0.00 7.02 7.64 -1.26 -5.34 113.62 120.52 1x4y n SER 113 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1x4y n SER 113 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1x4y n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64