#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8u s SER 11 N 0.00 6.68 0.00 -1.84 0.15 -1.26 -4.92 113.70 112.52 3h8u s SER 11 Ca 0.00 2.42 0.08 0.00 0.70 0.00 0.00 55.95 59.15 3h8u s SER 11 Cb 0.00 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 3h8u s SER 11 CO 0.00 -0.57 0.69 0.54 1.20 0.00 0.00 173.24 175.10 3h8u n ARG 12 N 0.41 0.65 -4.76 5.44 1.74 -1.26 -4.98 116.66 113.91 3h8u n ARG 12 Ca 0.02 -0.85 -0.25 0.00 -0.77 0.00 0.00 57.85 56.01 3h8u n ARG 12 Cb 0.45 -1.11 -0.16 0.00 -1.02 0.00 0.00 32.46 30.62 3h8u n ARG 12 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h8u s ILE 13 N -0.77 1.30 -0.05 0.55 1.01 -1.26 -5.12 121.20 116.86 3h8u s ILE 13 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3h8u s ILE 13 Cb 0.06 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3h8u s ILE 13 CO 0.12 0.37 -0.02 -0.36 0.00 0.00 0.00 174.94 175.05 3h8u s PHE 14 N -0.10 0.66 -0.12 3.97 0.40 -1.26 -5.13 117.98 116.40 3h8u s PHE 14 Ca 0.00 -0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 55.97 3h8u s PHE 14 Cb -0.09 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 3h8u s PHE 14 CO 0.01 -0.22 0.52 -1.12 0.70 0.00 0.00 175.22 175.11 3h8u s SER 15 N 1.23 6.72 0.29 1.36 0.01 -1.26 -4.96 113.70 117.09 3h8u s SER 15 Ca -0.06 0.86 -0.01 0.00 1.31 0.00 0.00 55.95 58.05 3h8u s SER 15 Cb -0.14 -2.31 0.46 0.00 0.21 0.00 0.00 66.02 64.25 3h8u s SER 15 CO -0.02 -0.05 1.92 0.58 0.41 0.00 0.00 173.24 176.09 3h8u h VAL 16 N 4.78 1.12 0.00 3.43 2.07 -2.00 -1.42 116.25 124.24 3h8u h VAL 16 Ca -0.40 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3h8u h VAL 16 Cb 1.18 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3h8u h VAL 16 CO 0.75 0.20 -0.10 -2.24 0.02 0.00 0.00 177.57 176.21 3h8u h ASP 17 N 1.11 0.00 1.95 0.57 3.04 -1.96 -0.03 116.42 121.10 3h8u h ASP 17 Ca 0.37 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.16 3h8u h ASP 17 Cb 0.08 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.37 3h8u h ASP 17 CO -0.12 0.10 -0.01 -0.33 -2.04 0.00 0.00 179.24 176.83 3h8u h GLU 18 N 0.00 0.00 0.00 4.15 5.08 -1.67 -3.36 114.58 118.78 3h8u h GLU 18 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h8u h GLU 18 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3h8u h GLU 18 CO 0.01 0.01 -0.98 0.66 -1.00 0.00 0.00 179.01 177.72 3h8u n TYR 19 N -3.10 0.00 -1.94 4.33 4.02 -0.16 -4.95 117.16 115.36 3h8u n TYR 19 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 3h8u n TYR 19 Cb 0.53 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.73 3h8u n TYR 19 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3h8u s VAL 20 N -2.50 2.36 -0.61 -0.72 -7.23 -0.42 -4.80 120.40 106.47 3h8u s VAL 20 Ca 0.02 0.35 0.05 0.00 -1.81 0.00 0.00 61.98 60.59 3h8u s VAL 20 Cb 0.10 -3.22 0.19 0.00 0.56 0.00 0.00 36.38 34.00 3h8u s VAL 20 CO 0.56 0.08 0.50 0.54 -0.31 0.00 0.00 175.10 176.46 3h8u n ARG 21 N 0.94 1.47 -1.67 4.82 5.12 -1.26 -5.04 116.66 121.04 3h8u n ARG 21 Ca 0.02 -4.12 -0.44 0.00 -1.93 0.00 0.00 57.85 51.37 3h8u n ARG 21 Cb 0.40 -2.07 -0.02 0.00 -1.16 0.00 0.00 32.46 29.61 3h8u n ARG 21 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3h8u n PRO 22 N 1.97 1.96 -3.99 5.56 -0.02 -1.26 -4.00 135.00 135.23 3h8u n PRO 22 Ca 0.24 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 62.27 3h8u n PRO 22 Cb 0.40 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 3h8u n PRO 22 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h8u s SER 23 N 0.04 0.28 0.15 2.55 1.04 -1.26 -4.97 113.70 111.53 3h8u s SER 23 Ca 0.64 -0.04 -0.15 0.00 0.48 0.00 0.00 55.95 56.89 3h8u s SER 23 Cb -0.64 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 65.46 3h8u s SER 23 CO 0.54 0.01 1.73 -0.55 0.98 0.00 0.00 173.24 175.96 3h8u h ASN 24 N 6.22 0.62 -0.85 7.02 -0.00 -2.02 -3.45 115.58 123.12 3h8u h ASN 24 Ca -0.28 -0.13 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 3h8u h ASN 24 Cb 1.19 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 39.35 3h8u h ASN 24 CO 0.50 0.58 0.00 0.61 -0.00 0.00 0.00 177.43 179.12 3h8u n GLY 25 N -0.90 -0.04 3.51 9.14 0.00 -1.26 -4.94 105.19 110.69 3h8u n GLY 25 Ca 0.01 -1.75 -0.55 0.00 0.00 0.00 0.00 46.02 43.73 3h8u n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h8u n GLU 26 N -0.15 0.31 -1.53 1.61 0.28 -1.26 -4.81 120.64 115.09 3h8u n GLU 26 Ca 0.00 0.11 -0.42 0.00 -0.16 0.00 0.00 57.16 56.69 3h8u n GLU 26 Cb 0.00 -1.55 0.01 0.00 1.43 0.00 0.00 31.44 31.33 3h8u n GLU 26 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3h8u n PRO 27 N 1.60 0.91 -3.19 3.44 -0.02 -1.26 -4.86 135.00 131.62 3h8u n PRO 27 Ca 0.19 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 3h8u n PRO 27 Cb 0.14 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3h8u n PRO 27 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h8u s ILE 28 N -1.37 5.12 -0.94 4.25 1.01 -1.26 -4.99 121.20 123.03 3h8u s ILE 28 Ca 0.64 1.18 -0.24 0.00 0.00 0.00 0.00 60.65 62.23 3h8u s ILE 28 Cb -0.59 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 37.99 3h8u s ILE 28 CO 0.57 0.28 1.55 -0.60 0.00 0.00 0.00 174.94 176.75 3h8u s ARG 29 N 0.75 3.27 -0.66 2.79 3.52 -1.26 -4.62 118.95 122.74 3h8u s ARG 29 Ca 0.31 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 54.94 3h8u s ARG 29 Cb -0.16 -5.09 0.06 0.00 -1.56 0.00 0.00 34.95 28.20 3h8u s ARG 29 CO 0.14 -2.48 1.04 0.45 -0.81 0.00 0.00 175.30 173.64 3h8u s SER 30 N 5.61 6.21 -0.21 -2.12 0.15 -1.16 -5.00 113.70 117.19 3h8u s SER 30 Ca 0.51 -0.73 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 3h8u s SER 30 Cb -0.03 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3h8u s SER 30 CO -0.03 -1.49 0.97 -0.69 1.20 0.00 0.00 173.24 173.20 3h8u s VAL 31 N 4.44 4.75 -0.12 4.45 1.01 -1.26 -0.68 120.40 132.98 3h8u s VAL 31 Ca 0.27 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 63.95 3h8u s VAL 31 Cb -0.14 -4.25 -0.17 0.00 0.00 0.00 0.00 36.38 31.82 3h8u s VAL 31 CO 0.13 -0.11 0.55 0.58 0.00 0.00 0.00 175.10 176.25 3h8u h VAL 32 N 5.37 1.15 -2.31 2.92 2.07 -1.30 -3.48 116.25 120.67 3h8u h VAL 32 Ca -0.23 -1.81 -0.05 0.00 0.82 0.00 0.00 66.70 65.44 3h8u h VAL 32 Cb 1.09 2.15 -0.24 0.00 -1.52 0.00 0.00 31.29 32.77 3h8u h VAL 32 CO 0.93 0.38 -0.13 -0.22 0.02 0.00 0.00 177.57 178.55 3h8u s LEU 33 N -8.41 -0.53 -0.10 2.57 2.96 -1.12 -5.03 118.68 109.02 3h8u s LEU 33 Ca -0.13 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 3h8u s LEU 33 Cb -0.02 1.89 -0.00 0.00 0.50 0.00 0.00 46.19 48.56 3h8u s LEU 33 CO 0.46 -0.22 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.35 3h8u s GLU 34 N 1.49 3.10 0.31 1.98 2.12 -1.26 -0.82 118.70 125.61 3h8u s GLU 34 Ca -0.09 -0.85 0.04 0.00 0.36 0.00 0.00 54.97 54.43 3h8u s GLU 34 Cb -0.07 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 3h8u s GLU 34 CO -0.16 0.19 0.19 0.95 -0.54 0.00 0.00 175.26 175.89 3h8u s THR 35 N 0.34 0.20 0.37 -1.70 -4.23 -0.24 -5.02 115.64 105.35 3h8u s THR 35 Ca -0.18 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.63 3h8u s THR 35 Cb -0.18 -2.49 0.31 0.00 1.34 0.00 0.00 72.50 71.49 3h8u s THR 35 CO 0.08 0.00 2.06 0.78 -0.54 0.00 0.00 174.62 177.00 3h8u h ASN 36 N 2.20 0.00 0.48 3.99 2.35 -1.99 -3.27 115.58 119.34 3h8u h ASN 36 Ca -0.31 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.14 3h8u h ASN 36 Cb 1.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.58 3h8u h ASN 36 CO 0.47 0.11 -1.67 0.44 -1.65 0.00 0.00 177.43 175.13 3h8u h ASP 37 N 0.00 0.09 -5.01 5.81 3.32 -1.92 0.06 116.42 118.77 3h8u h ASP 37 Ca -0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 3h8u h ASP 37 Cb 0.38 -0.03 -0.16 0.00 0.22 0.00 0.00 39.33 39.73 3h8u h ASP 37 CO 0.01 1.16 0.10 -0.44 -1.72 0.00 0.00 179.24 178.36 3h8u s SER 38 N -6.35 -0.52 -0.18 6.45 0.01 -1.23 -3.37 113.70 108.50 3h8u s SER 38 Ca -0.07 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 3h8u s SER 38 Cb 0.08 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.81 3h8u s SER 38 CO 0.82 -0.72 -0.06 -0.69 0.41 0.00 0.00 173.24 173.00 3h8u s VAL 39 N -2.29 3.45 -0.19 3.43 1.01 0.23 -1.08 120.40 124.97 3h8u s VAL 39 Ca -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3h8u s VAL 39 Cb -0.01 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3h8u s VAL 39 CO -0.00 0.46 -0.07 -0.69 0.00 0.00 0.00 175.10 174.80 3h8u s VAL 40 N 0.94 3.32 0.01 2.92 1.01 -0.00 -1.00 120.40 127.59 3h8u s VAL 40 Ca -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3h8u s VAL 40 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3h8u s VAL 40 CO 0.01 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 3h8u s VAL 41 N 1.02 0.71 -0.23 2.92 1.01 -0.40 -0.75 120.40 124.68 3h8u s VAL 41 Ca -0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 3h8u s VAL 41 Cb -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3h8u s VAL 41 CO -0.00 0.10 0.11 -0.69 0.00 0.00 0.00 175.10 174.62 3h8u s VAL 42 N -0.42 4.90 0.01 2.92 1.01 0.14 -0.52 120.40 128.45 3h8u s VAL 42 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3h8u s VAL 42 Cb -0.05 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3h8u s VAL 42 CO -0.00 0.36 -0.03 0.26 0.00 0.00 0.00 175.10 175.69 3h8u s TRP 43 N 1.09 2.97 -0.05 5.22 0.52 -0.37 -2.99 118.94 125.35 3h8u s TRP 43 Ca 0.06 0.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.18 3h8u s TRP 43 Cb -0.14 -1.62 0.03 0.00 -1.15 0.00 0.00 33.47 30.59 3h8u s TRP 43 CO 0.04 0.42 0.01 -1.58 0.02 0.00 0.00 176.95 175.86 3h8u s HIS 44 N -1.08 0.42 -0.16 -1.98 5.65 -1.26 -2.09 115.29 114.80 3h8u s HIS 44 Ca 0.19 -0.02 0.01 0.00 0.25 0.00 0.00 55.06 55.50 3h8u s HIS 44 Cb -0.11 -0.59 0.01 0.00 -1.18 0.00 0.00 32.58 30.71 3h8u s HIS 44 CO 0.10 -0.22 -0.20 0.00 -0.65 0.00 0.00 174.74 173.77 3h8u s ALA 45 N 1.60 2.33 0.80 1.58 0.00 -0.09 -4.56 121.76 123.42 3h8u s ALA 45 Ca -0.01 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 3h8u s ALA 45 Cb -0.13 -1.11 0.08 0.00 0.00 0.00 0.00 23.12 21.96 3h8u s ALA 45 CO -0.03 -0.15 1.19 -1.01 0.00 0.00 0.00 175.76 175.75 3h8u s HIS 46 N 1.00 1.90 0.13 0.00 3.76 -1.26 -1.75 115.29 119.08 3h8u s HIS 46 Ca -0.02 1.67 -0.34 0.00 -0.15 0.00 0.00 55.06 56.21 3h8u s HIS 46 Cb -0.15 -3.43 -0.17 0.00 1.11 0.00 0.00 32.58 29.95 3h8u s HIS 46 CO -0.06 -2.69 1.15 -2.30 -0.85 0.00 0.00 174.74 170.00 3h8u n PRO 47 N -3.29 0.94 -0.38 8.40 -0.02 -1.26 -0.64 135.00 138.75 3h8u n PRO 47 Ca 0.13 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3h8u n PRO 47 Cb 0.51 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3h8u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h8u n GLY 48 N 2.06 1.91 3.82 -1.23 0.00 0.17 -5.03 105.19 106.89 3h8u n GLY 48 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3h8u n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h8u s GLN 49 N -0.12 4.08 -0.12 1.61 0.74 0.19 -4.79 119.66 121.25 3h8u s GLN 49 Ca 0.00 0.60 -0.04 0.00 0.05 0.00 0.00 55.36 55.97 3h8u s GLN 49 Cb 0.00 -3.17 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 3h8u s GLN 49 CO 0.00 0.62 0.05 -2.00 -0.55 0.00 0.00 175.29 173.41 3h8u s GLU 50 N -1.29 3.34 -0.39 1.67 2.12 -1.26 -0.74 118.70 122.16 3h8u s GLU 50 Ca 0.30 -0.32 -0.18 0.00 0.36 0.00 0.00 54.97 55.12 3h8u s GLU 50 Cb -0.18 -3.00 0.01 0.00 0.26 0.00 0.00 34.13 31.22 3h8u s GLU 50 CO 0.18 0.62 0.51 0.42 -0.54 0.00 0.00 175.26 176.45 3h8u s ILE 51 N -0.61 5.00 0.44 -3.70 1.01 0.18 -4.43 121.20 119.09 3h8u s ILE 51 Ca 0.11 0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 3h8u s ILE 51 Cb -0.12 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 3h8u s ILE 51 CO 0.02 -0.35 1.43 0.00 0.00 0.00 0.00 174.94 176.05 3h8u n ALA 52 N 5.80 2.05 -1.78 9.38 0.00 -1.26 -1.20 120.51 133.50 3h8u n ALA 52 Ca -0.05 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 3h8u n ALA 52 Cb 0.48 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 3h8u n ALA 52 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h8u s SER 53 N -0.42 6.92 0.26 0.00 0.01 -1.26 -4.61 113.70 114.60 3h8u s SER 53 Ca 0.60 2.08 -0.16 0.00 1.31 0.00 0.00 55.95 59.78 3h8u s SER 53 Cb -0.46 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.18 3h8u s SER 53 CO 0.58 -0.38 0.58 -1.38 0.41 0.00 0.00 173.24 173.06 3h8u s HIS 54 N -1.53 0.12 0.03 2.43 -3.43 -0.18 -1.26 115.29 111.47 3h8u s HIS 54 Ca 0.54 -0.53 0.03 0.00 -0.80 0.00 0.00 55.06 54.30 3h8u s HIS 54 Cb -0.24 0.42 -0.02 0.00 -1.43 0.00 0.00 32.58 31.31 3h8u s HIS 54 CO 0.31 -1.10 -0.09 0.14 -2.00 0.00 0.00 174.74 172.00 3h8u s VAL 55 N -3.97 0.64 -0.42 -5.38 -7.23 0.37 -0.87 120.40 103.55 3h8u s VAL 55 Ca 0.17 -0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 3h8u s VAL 55 Cb -0.03 -0.63 0.09 0.00 0.56 0.00 0.00 36.38 36.37 3h8u s VAL 55 CO 0.08 -0.13 0.24 -1.00 -0.31 0.00 0.00 175.10 173.98 3h8u s HIS 56 N -0.86 3.42 0.57 2.82 3.76 -1.26 -1.14 115.29 122.60 3h8u s HIS 56 Ca -0.03 -1.87 0.26 0.00 -0.15 0.00 0.00 55.06 53.27 3h8u s HIS 56 Cb -0.07 -3.06 1.59 0.00 1.11 0.00 0.00 32.58 32.15 3h8u s HIS 56 CO 0.00 -0.91 2.14 -1.35 -0.85 0.00 0.00 174.74 173.77 3h8u h PRO 57 N 8.28 0.00 -0.26 8.40 0.11 -1.93 -1.55 132.00 145.05 3h8u h PRO 57 Ca -0.20 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.69 3h8u h PRO 57 Cb 1.07 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.87 3h8u h PRO 57 CO 0.74 0.00 -0.88 0.72 -0.21 0.00 0.00 178.00 178.37 3h8u n HIS 58 N -4.03 0.88 -3.92 0.65 8.25 -1.26 -3.89 115.22 111.90 3h8u n HIS 58 Ca 0.00 -1.51 -0.08 0.00 -0.26 0.00 0.00 57.72 55.87 3h8u n HIS 58 Cb 0.25 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 3h8u n HIS 58 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3h8u s GLY 59 N -3.08 0.26 -0.05 -1.41 0.00 -1.17 -4.48 107.32 97.38 3h8u s GLY 59 Ca 0.37 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.44 3h8u s GLY 59 CO -0.07 -0.42 0.08 1.62 0.00 0.00 0.00 173.10 174.31 3h8u s GLN 60 N -3.97 3.15 -0.22 2.90 0.74 0.54 -2.37 119.66 120.43 3h8u s GLN 60 Ca 0.17 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.23 3h8u s GLN 60 Cb -0.02 -2.93 0.05 0.00 1.10 0.00 0.00 33.01 31.20 3h8u s GLN 60 CO 0.07 0.70 -0.13 0.34 -0.55 0.00 0.00 175.29 175.72 3h8u s ASP 61 N -1.34 3.81 -0.29 6.67 2.15 -0.44 -0.65 116.67 126.57 3h8u s ASP 61 Ca 0.19 -1.06 -0.07 0.00 0.43 0.00 0.00 52.55 52.03 3h8u s ASP 61 Cb -0.12 -1.42 0.01 0.00 -0.30 0.00 0.00 42.92 41.08 3h8u s ASP 61 CO 0.09 -0.13 0.07 -0.89 -0.17 0.00 0.00 175.17 174.14 3h8u s THR 62 N 1.24 3.95 -0.15 1.71 2.01 -0.23 -0.86 115.64 123.31 3h8u s THR 62 Ca -0.03 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 3h8u s THR 62 Cb -0.17 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3h8u s THR 62 CO -0.08 0.10 0.16 0.26 -0.69 0.00 0.00 174.62 174.37 3h8u s TRP 63 N 1.50 3.52 -0.19 4.92 0.52 0.60 -0.71 118.94 129.10 3h8u s TRP 63 Ca 0.03 0.47 0.00 0.00 0.02 0.00 0.00 56.10 56.63 3h8u s TRP 63 Cb -0.17 -2.08 0.02 0.00 -1.15 0.00 0.00 33.47 30.09 3h8u s TRP 63 CO 0.02 0.51 -0.17 0.99 0.02 0.00 0.00 176.95 178.32 3h8u s THR 64 N -0.33 2.27 -0.15 2.01 2.01 0.34 -0.86 115.64 120.93 3h8u s THR 64 Ca 0.13 -0.94 -0.27 0.00 0.31 0.00 0.00 61.69 60.92 3h8u s THR 64 Cb -0.12 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 3h8u s THR 64 CO 0.02 0.47 0.90 -0.69 -0.69 0.00 0.00 174.62 174.62 3h8u s VAL 65 N 1.30 4.84 -0.14 3.82 1.01 -0.29 -0.98 120.40 129.96 3h8u s VAL 65 Ca 0.04 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 63.67 3h8u s VAL 65 Cb -0.14 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.79 3h8u s VAL 65 CO -0.11 0.01 0.38 0.40 0.00 0.00 0.00 175.10 175.78 3h8u h ILE 66 N 5.16 0.81 -2.81 2.22 1.08 -0.98 -1.40 117.51 121.59 3h8u h ILE 66 Ca -0.30 -2.31 -0.05 0.00 -0.39 0.00 0.00 64.86 61.81 3h8u h ILE 66 Cb 1.13 2.48 -0.15 0.00 -3.07 0.00 0.00 36.82 37.21 3h8u h ILE 66 CO 0.85 0.69 0.07 -0.94 -0.69 0.00 0.00 178.15 178.14 3h8u s SER 67 N -7.00 -0.46 0.00 1.72 1.04 -0.93 -4.69 113.70 103.37 3h8u s SER 67 Ca -0.23 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.34 3h8u s SER 67 Cb 0.06 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3h8u s SER 67 CO 0.72 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.78 3h8u n GLY 68 N 0.24 -2.62 3.01 7.32 0.00 -1.21 -1.37 105.19 110.55 3h8u n GLY 68 Ca -0.18 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 3h8u n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h8u s GLU 69 N -0.45 0.16 0.23 1.61 2.02 -1.26 -2.05 118.70 118.96 3h8u s GLU 69 Ca 0.00 0.34 -0.05 0.00 0.02 0.00 0.00 54.97 55.28 3h8u s GLU 69 Cb 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.17 3h8u s GLU 69 CO 0.00 -0.10 0.29 0.00 0.02 0.00 0.00 175.26 175.47 3h8u s ALA 70 N 0.69 0.63 -0.21 5.21 0.00 -0.21 -3.75 121.76 124.12 3h8u s ALA 70 Ca -0.05 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.34 3h8u s ALA 70 Cb -0.07 1.26 -0.03 0.00 0.00 0.00 0.00 23.12 24.28 3h8u s ALA 70 CO -0.04 -0.71 0.51 -1.21 0.00 0.00 0.00 175.76 174.32 3h8u s GLU 71 N -4.01 4.17 -0.15 0.00 2.02 -1.26 -0.88 118.70 118.59 3h8u s GLU 71 Ca 0.32 0.39 -0.21 0.00 0.02 0.00 0.00 54.97 55.49 3h8u s GLU 71 Cb 0.03 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 3h8u s GLU 71 CO 0.12 -0.17 0.62 -0.47 0.02 0.00 0.00 175.26 175.38 3h8u s TYR 72 N 1.71 3.44 -0.29 1.61 5.04 0.17 -4.20 117.35 124.83 3h8u s TYR 72 Ca 0.23 0.99 -0.15 0.00 -2.44 0.00 0.00 57.07 55.71 3h8u s TYR 72 Cb -0.15 -2.76 -0.03 0.00 0.35 0.00 0.00 41.96 39.37 3h8u s TYR 72 CO 0.09 -0.06 0.37 -1.01 -1.34 0.00 0.00 175.55 173.61 3h8u s HIS 73 N 1.44 3.23 -1.93 4.97 3.76 0.40 -1.44 115.29 125.73 3h8u s HIS 73 Ca 0.30 0.30 0.19 0.00 -0.15 0.00 0.00 55.06 55.71 3h8u s HIS 73 Cb -0.16 -2.60 0.43 0.00 1.11 0.00 0.00 32.58 31.35 3h8u s HIS 73 CO 0.12 -0.28 1.36 1.04 -0.85 0.00 0.00 174.74 176.13 3h8u n GLN 74 N 5.36 2.47 0.00 1.40 6.02 -0.41 -2.00 117.38 130.22 3h8u n GLN 74 Ca -0.09 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.66 3h8u n GLN 74 Cb 0.50 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.31 3h8u n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h8u n GLY 75 N 1.27 -0.62 2.53 1.08 0.00 -1.24 -4.16 105.19 104.04 3h8u n GLY 75 Ca 0.18 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 3h8u n GLY 75 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h8u n ASN 76 N -1.33 -4.65 0.00 1.61 4.13 -1.11 -1.30 115.26 112.62 3h8u n ASN 76 Ca 0.00 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.32 3h8u n ASN 76 Cb 0.00 -3.90 0.00 0.00 -1.54 0.00 0.00 39.78 34.34 3h8u n ASN 76 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h8u n GLY 77 N -0.94 0.43 3.69 7.41 0.00 0.46 -4.98 105.19 111.27 3h8u n GLY 77 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3h8u n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8u s ILE 78 N -2.00 4.71 -0.10 -0.61 1.01 -0.42 -5.00 121.20 118.80 3h8u s ILE 78 Ca 0.00 1.97 0.01 0.00 0.00 0.00 0.00 60.65 62.62 3h8u s ILE 78 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.23 3h8u s ILE 78 CO 0.00 0.04 -0.09 -0.69 0.00 0.00 0.00 174.94 174.20 3h8u s VAL 79 N 1.77 1.06 0.22 2.92 1.01 -1.26 -1.29 120.40 124.84 3h8u s VAL 79 Ca 0.50 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3h8u s VAL 79 Cb -0.20 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 3h8u s VAL 79 CO 0.21 0.36 -0.16 0.42 0.00 0.00 0.00 175.10 175.93 3h8u s THR 80 N 1.32 1.92 -0.13 3.92 -4.23 -0.52 -4.95 115.64 112.97 3h8u s THR 80 Ca -0.02 -2.24 -0.05 0.00 -1.18 0.00 0.00 61.69 58.19 3h8u s THR 80 Cb -0.14 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 3h8u s THR 80 CO -0.04 -0.54 0.06 -1.00 -0.54 0.00 0.00 174.62 172.57 3h8u s HIS 81 N -2.82 3.32 0.00 3.99 3.76 -1.26 0.44 115.29 122.72 3h8u s HIS 81 Ca 0.24 0.25 0.06 0.00 -0.15 0.00 0.00 55.06 55.46 3h8u s HIS 81 Cb -0.02 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 3h8u s HIS 81 CO 0.09 0.44 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.72 3h8u s LEU 82 N -0.50 2.54 0.27 0.89 1.43 -0.06 -4.89 118.68 118.36 3h8u s LEU 82 Ca 0.10 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3h8u s LEU 82 Cb -0.12 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 3h8u s LEU 82 CO 0.02 0.29 0.10 -1.59 0.23 0.00 0.00 176.35 175.41 3h8u s LYS 83 N -1.07 1.44 0.11 1.70 -2.85 -1.26 -1.05 119.74 116.76 3h8u s LYS 83 Ca 0.13 -1.79 -0.35 0.00 -1.00 0.00 0.00 55.97 52.95 3h8u s LYS 83 Cb -0.10 -0.25 -0.17 0.00 -2.06 0.00 0.00 37.83 35.24 3h8u s LYS 83 CO 0.03 -0.32 1.14 0.00 0.10 0.00 0.00 175.35 176.30 3h8u n ALA 84 N -0.49 -1.73 -0.45 0.59 0.00 -0.87 -1.06 120.51 116.50 3h8u n ALA 84 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3h8u n ALA 84 Cb 0.66 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3h8u n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8u n GLY 85 N 2.04 0.74 3.88 0.00 0.00 -0.53 -5.01 105.19 106.31 3h8u n GLY 85 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3h8u n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h8u s ASP 86 N -2.77 6.59 -0.13 1.61 1.01 -0.23 -4.92 116.67 117.84 3h8u s ASP 86 Ca 0.00 0.84 -0.01 0.00 0.71 0.00 0.00 52.55 54.09 3h8u s ASP 86 Cb 0.00 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 3h8u s ASP 86 CO 0.00 -0.05 -0.09 -0.63 0.21 0.00 0.00 175.17 174.61 3h8u s ILE 87 N -1.80 3.45 -0.12 0.77 1.01 -1.26 -1.14 121.20 122.11 3h8u s ILE 87 Ca 0.46 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3h8u s ILE 87 Cb -0.11 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3h8u s ILE 87 CO 0.22 0.53 -0.23 0.00 0.00 0.00 0.00 174.94 175.46 3h8u s ALA 88 N 0.14 2.21 -0.11 9.38 0.00 -0.04 -4.97 121.76 128.38 3h8u s ALA 88 Ca -0.04 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.93 3h8u s ALA 88 Cb -0.14 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 3h8u s ALA 88 CO 0.04 0.15 -0.22 0.42 0.00 0.00 0.00 175.76 176.15 3h8u s ILE 89 N 0.54 2.24 -0.25 0.00 1.01 -1.26 -0.29 121.20 123.20 3h8u s ILE 89 Ca -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 3h8u s ILE 89 Cb -0.17 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.43 3h8u s ILE 89 CO 0.04 0.55 -0.02 0.00 0.00 0.00 0.00 174.94 175.52 3h8u s ALA 90 N 0.36 2.83 0.82 9.38 0.00 -0.04 -5.00 121.76 130.11 3h8u s ALA 90 Ca -0.17 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 3h8u s ALA 90 Cb -0.18 -1.80 0.09 0.00 0.00 0.00 0.00 23.12 21.23 3h8u s ALA 90 CO 0.08 -0.67 1.15 0.15 0.00 0.00 0.00 175.76 176.46 3h8u s LYS 91 N 1.43 1.87 0.08 0.00 1.02 -1.26 -1.32 119.74 121.56 3h8u s LYS 91 Ca 0.03 0.27 -0.37 0.00 0.02 0.00 0.00 55.97 55.93 3h8u s LYS 91 Cb -0.16 -1.93 -0.17 0.00 -0.52 0.00 0.00 37.83 35.06 3h8u s LYS 91 CO -0.02 -1.69 1.35 -2.30 -0.92 0.00 0.00 175.35 171.77 3h8u n PRO 92 N -3.41 1.16 -0.43 -1.68 -0.02 -1.00 -1.57 135.00 128.04 3h8u n PRO 92 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3h8u n PRO 92 Cb 0.59 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3h8u n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h8u n GLY 93 N 2.57 1.31 3.71 -1.23 0.00 -0.59 -4.96 105.19 106.01 3h8u n GLY 93 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3h8u n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h8u s GLN 94 N -0.31 4.30 0.35 1.61 -0.21 -0.61 -4.94 119.66 119.85 3h8u s GLN 94 Ca 0.00 0.35 -0.27 0.00 0.02 0.00 0.00 55.36 55.46 3h8u s GLN 94 Cb 0.00 -3.45 -0.09 0.00 1.00 0.00 0.00 33.01 30.46 3h8u s GLN 94 CO 0.00 0.13 1.20 0.08 -2.12 0.00 0.00 175.29 174.58 3h8u s VAL 95 N 0.74 3.09 -0.11 1.09 1.01 -1.26 -4.59 120.40 120.37 3h8u s VAL 95 Ca 0.23 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.11 3h8u s VAL 95 Cb -0.15 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3h8u s VAL 95 CO 0.09 0.18 0.33 -1.38 0.00 0.00 0.00 175.10 174.31 3h8u s HIS 96 N -1.26 -0.34 0.07 5.22 -3.43 -0.05 -4.10 115.29 111.40 3h8u s HIS 96 Ca 0.51 0.81 -0.18 0.00 -0.80 0.00 0.00 55.06 55.40 3h8u s HIS 96 Cb -0.34 0.12 0.06 0.00 -1.43 0.00 0.00 32.58 30.99 3h8u s HIS 96 CO 0.44 -0.20 0.84 0.41 -2.00 0.00 0.00 174.74 174.23 3h8u n GLY 97 N 2.71 0.58 0.00 -1.38 0.00 -0.85 -1.01 105.19 105.24 3h8u n GLY 97 Ca -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3h8u n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8u n ALA 98 N -1.41 0.00 -3.44 4.61 0.00 -0.34 -0.45 120.51 119.48 3h8u n ALA 98 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.09 3h8u n ALA 98 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 3h8u n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h8u s ASN 100 N 1.90 2.53 0.00 0.00 2.47 0.08 0.52 114.94 122.43 3h8u s ASN 100 Ca 0.00 -2.02 0.14 0.00 0.42 0.00 0.00 52.86 51.40 3h8u s ASN 100 Cb 0.00 -0.16 0.55 0.00 -1.45 0.00 0.00 41.25 40.19 3h8u s ASN 100 CO 0.00 -0.30 1.40 -1.54 -3.72 0.00 0.00 177.10 172.94 3h8u n SER 101 N 4.11 1.22 -4.91 -4.21 3.41 -1.26 0.44 113.62 112.41 3h8u n SER 101 Ca 0.12 -1.80 -0.20 0.00 -0.26 0.00 0.00 58.87 56.72 3h8u n SER 101 Cb 0.39 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3h8u n SER 101 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h8u s GLY 102 N -1.29 1.59 0.00 5.00 0.00 -1.25 -4.90 107.32 106.47 3h8u s GLY 102 Ca 0.24 -1.50 0.29 0.00 0.00 0.00 0.00 44.72 43.75 3h8u s GLY 102 CO 0.18 -1.45 1.96 -1.55 0.00 0.00 0.00 173.10 172.25 3h8u n PRO 103 N -1.45 0.19 -4.23 2.90 -0.04 -1.26 -4.29 135.00 126.83 3h8u n PRO 103 Ca -0.03 -0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.19 3h8u n PRO 103 Cb 0.59 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 3h8u n PRO 103 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h8u s GLU 104 N -2.81 2.49 0.54 0.54 0.41 -1.26 -4.81 118.70 113.79 3h8u s GLU 104 Ca 0.20 -1.25 -0.22 0.00 -0.41 0.00 0.00 54.97 53.29 3h8u s GLU 104 Cb 0.19 -2.31 -0.05 0.00 -1.78 0.00 0.00 34.13 30.18 3h8u s GLU 104 CO 0.51 0.39 1.37 -2.14 -0.49 0.00 0.00 175.26 174.90 3h8u s PRO 105 N -3.56 3.18 -0.31 0.39 0.02 -1.26 -4.32 135.00 129.13 3h8u s PRO 105 Ca 0.31 2.26 -0.07 0.00 0.02 0.00 0.00 61.00 63.52 3h8u s PRO 105 Cb -0.07 -2.29 0.02 0.00 0.02 0.00 0.00 34.50 32.17 3h8u s PRO 105 CO 0.21 -1.17 0.10 0.12 -0.33 0.00 0.00 177.00 175.94 3h8u s PHE 106 N -1.29 3.18 -0.05 6.54 5.36 -0.71 -3.29 117.98 127.72 3h8u s PHE 106 Ca 0.71 -1.05 0.03 0.00 -0.96 0.00 0.00 56.93 55.65 3h8u s PHE 106 Cb -0.41 -2.29 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 3h8u s PHE 106 CO 0.49 -0.61 -0.12 0.42 -1.46 0.00 0.00 175.22 173.93 3h8u s ILE 107 N 1.49 1.12 0.13 3.12 1.01 -0.47 -0.91 121.20 126.68 3h8u s ILE 107 Ca 0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 3h8u s ILE 107 Cb -0.18 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.30 3h8u s ILE 107 CO 0.03 0.35 0.35 0.72 0.00 0.00 0.00 174.94 176.38 3h8u s PHE 108 N 0.46 -0.02 -0.19 3.97 -0.71 -0.89 -0.28 117.98 120.33 3h8u s PHE 108 Ca -0.10 -0.34 -0.06 0.00 -1.04 0.00 0.00 56.93 55.38 3h8u s PHE 108 Cb -0.14 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 3h8u s PHE 108 CO 0.03 -0.69 0.04 0.08 -1.34 0.00 0.00 175.22 173.34 3h8u s VAL 109 N -3.85 4.44 -0.17 -2.49 1.01 -0.15 -1.23 120.40 117.95 3h8u s VAL 109 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 3h8u s VAL 109 Cb 0.02 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3h8u s VAL 109 CO -0.09 0.44 -0.01 -0.55 0.00 0.00 0.00 175.10 174.88 3h8u s SER 110 N 0.70 4.94 -0.30 3.32 0.15 0.32 -0.50 113.70 122.34 3h8u s SER 110 Ca 0.02 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.56 3h8u s SER 110 Cb -0.14 -1.82 0.06 0.00 -1.71 0.00 0.00 66.02 62.41 3h8u s SER 110 CO 0.02 0.14 -0.03 -0.69 1.20 0.00 0.00 173.24 173.88 3h8u s VAL 111 N 0.55 2.62 -0.14 4.45 1.01 0.11 -1.27 120.40 127.72 3h8u s VAL 111 Ca -0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 61.98 60.20 3h8u s VAL 111 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3h8u s VAL 111 CO 0.02 -0.16 0.32 -0.69 0.00 0.00 0.00 175.10 174.59 3h8u s VAL 112 N 1.15 5.27 -0.04 2.92 1.01 -0.17 -1.06 120.40 129.48 3h8u s VAL 112 Ca -0.04 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 3h8u s VAL 112 Cb -0.20 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.55 3h8u s VAL 112 CO -0.03 0.41 0.08 0.00 0.00 0.00 0.00 175.10 175.55 3h8u s ALA 113 N 0.29 -0.09 1.07 5.51 0.00 0.17 -0.60 121.76 128.12 3h8u s ALA 113 Ca 0.18 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 3h8u s ALA 113 Cb -0.14 -0.29 0.23 0.00 0.00 0.00 0.00 23.12 22.92 3h8u s ALA 113 CO 0.06 -0.11 1.17 -1.25 0.00 0.00 0.00 175.76 175.62 3h8u s PRO 114 N 0.89 -0.20 0.24 0.00 0.04 -1.26 -0.34 135.00 134.37 3h8u s PRO 114 Ca -0.07 -0.04 0.25 0.00 0.04 0.00 0.00 61.00 61.19 3h8u s PRO 114 Cb -0.10 -1.71 0.88 0.00 0.04 0.00 0.00 34.50 33.61 3h8u s PRO 114 CO -0.03 -3.04 1.75 0.41 0.04 0.00 0.00 177.00 176.13 3h8u n GLY 115 N -1.88 -1.55 2.68 0.56 0.00 0.01 -2.68 105.19 102.33 3h8u n GLY 115 Ca 0.12 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3h8u n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h8u n ASN 116 N -2.28 5.05 -4.39 1.61 3.02 -1.26 -4.65 115.26 112.36 3h8u n ASN 116 Ca 0.04 -3.72 -0.45 0.00 -0.03 0.00 0.00 54.58 50.43 3h8u n ASN 116 Cb 0.35 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.87 3h8u n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h8u s ALA 117 N -3.62 3.54 0.00 5.41 0.00 -1.09 -5.00 121.76 120.99 3h8u s ALA 117 Ca 0.48 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3h8u s ALA 117 Cb 0.35 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3h8u s ALA 117 CO -0.19 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.14 3h8u n GLY 118 N 5.21 0.00 3.44 0.00 0.00 -1.26 -4.90 105.19 107.67 3h8u n GLY 118 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3h8u n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h8u s PHE 119 N 0.00 -0.68 0.03 1.61 5.36 -1.26 -4.26 117.98 118.78 3h8u s PHE 119 Ca 0.00 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 3h8u s PHE 119 Cb 0.00 0.29 -0.02 0.00 -0.34 0.00 0.00 43.02 42.95 3h8u s PHE 119 CO 0.00 -0.34 -0.03 0.00 -1.46 0.00 0.00 175.22 173.38 3h8u s ALA 120 N 0.79 0.22 0.66 11.12 0.00 -0.29 -4.98 121.76 129.28 3h8u s ALA 120 Ca -0.04 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 3h8u s ALA 120 Cb -0.05 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3h8u s ALA 120 CO -0.06 -0.18 1.09 -0.51 0.00 0.00 0.00 175.76 176.10 3h8u s LEU 121 N -1.68 3.33 0.29 0.00 1.43 -1.26 -0.48 118.68 120.31 3h8u s LEU 121 Ca -0.12 1.87 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 3h8u s LEU 121 Cb -0.07 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.62 3h8u s LEU 121 CO -0.02 -1.53 0.58 0.00 0.23 0.00 0.00 176.35 175.60 3h8u s ALA 122 N -2.55 -0.42 -0.15 4.21 0.00 -0.39 -4.71 121.76 117.75 3h8u s ALA 122 Ca 0.64 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 3h8u s ALA 122 Cb -0.18 0.98 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 3h8u s ALA 122 CO 0.44 -0.91 0.20 -1.21 0.00 0.00 0.00 175.76 174.28 3h8u s GLU 123 N -3.65 3.95 0.00 0.00 2.02 -1.26 -4.22 118.70 115.54 3h8u s GLU 123 Ca 0.20 -0.05 0.07 0.00 0.02 0.00 0.00 54.97 55.21 3h8u s GLU 123 Cb -0.03 -3.33 0.41 0.00 0.10 0.00 0.00 34.13 31.29 3h8u s GLU 123 CO 0.10 0.47 0.87 0.36 0.02 0.00 0.00 175.26 177.09