#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gan h SER 2 N 0.00 -0.81 -2.82 0.00 4.64 -2.00 -3.33 113.55 109.23 1gan h SER 2 Ca 0.00 0.06 -0.59 0.00 -0.47 0.00 0.00 61.79 60.79 1gan h SER 2 Cb 0.00 0.26 -0.39 0.00 -0.31 0.00 0.00 62.40 61.96 1gan h SER 2 CO 0.00 -0.46 -0.83 0.00 -0.87 0.00 0.00 176.83 174.68 1gan s ALA 3 N -6.04 1.35 -0.41 5.18 0.00 -1.26 -5.01 121.76 115.57 1gan s ALA 3 Ca -0.17 -2.14 0.05 0.00 0.00 0.00 0.00 51.96 49.70 1gan s ALA 3 Cb 0.06 -1.69 0.31 0.00 0.00 0.00 0.00 23.12 21.80 1gan s ALA 3 CO 0.63 -2.08 1.20 0.41 0.00 0.00 0.00 175.76 175.92 1gan n GLY 4 N 3.77 -0.40 3.74 0.00 0.00 -1.25 -1.30 105.19 109.74 1gan n GLY 4 Ca 0.13 0.41 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 1gan n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gan s VAL 5 N 0.23 2.27 -0.04 1.61 1.01 -1.25 -3.28 120.40 120.95 1gan s VAL 5 Ca 0.23 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1gan s VAL 5 Cb 0.28 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1gan s VAL 5 CO -0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 175.10 174.89 1gan s ALA 6 N -1.44 0.67 -0.12 5.51 0.00 -1.26 -1.70 121.76 123.42 1gan s ALA 6 Ca 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1gan s ALA 6 Cb -0.36 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1gan s ALA 6 CO 0.39 0.02 -0.14 0.08 0.00 0.00 0.00 175.76 176.10 1gan s VAL 7 N 0.79 2.92 0.09 0.00 1.01 0.17 -5.00 120.40 120.39 1gan s VAL 7 Ca -0.11 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1gan s VAL 7 Cb -0.14 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1gan s VAL 7 CO 0.00 0.53 -0.24 0.42 0.00 0.00 0.00 175.10 175.81 1gan s THR 8 N 0.33 2.00 -0.76 3.92 -4.23 -1.26 -1.23 115.64 114.41 1gan s THR 8 Ca -0.12 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1gan s THR 8 Cb -0.16 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1gan s THR 8 CO 0.06 0.13 0.41 0.59 -0.54 0.00 0.00 174.62 175.27 1gan n ASN 9 N 1.29 -4.00 -0.22 3.99 3.02 -0.14 -4.93 115.26 114.27 1gan n ASN 9 Ca -0.18 -0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.12 1gan n ASN 9 Cb 0.53 -2.79 0.04 0.00 -0.61 0.00 0.00 39.78 36.95 1gan n ASN 9 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1gan h LEU 10 N -0.93 0.70 -1.45 3.41 5.85 -0.74 -3.47 115.31 118.67 1gan h LEU 10 Ca -0.28 -0.02 -0.36 0.00 0.84 0.00 0.00 57.88 58.07 1gan h LEU 10 Cb 1.19 -0.17 0.14 0.00 0.37 0.00 0.00 40.66 42.19 1gan h LEU 10 CO 0.29 0.51 -0.75 -3.20 -0.34 0.00 0.00 178.44 174.94 1gan n ASN 11 N -4.66 -3.06 -4.60 1.25 4.05 -0.87 -4.94 115.26 102.42 1gan n ASN 11 Ca 0.05 -0.63 -0.42 0.00 0.45 0.00 0.00 54.58 54.03 1gan n ASN 11 Cb 0.02 -4.96 -0.05 0.00 1.23 0.00 0.00 39.78 36.02 1gan n ASN 11 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1gan s LEU 12 N -6.65 4.12 0.26 1.20 2.96 -0.53 -4.80 118.68 115.23 1gan s LEU 12 Ca 0.16 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1gan s LEU 12 Cb -0.07 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1gan s LEU 12 CO 0.74 -0.63 0.22 -0.54 -1.32 0.00 0.00 176.35 174.82 1gan s LYS 13 N 2.94 2.95 0.27 1.98 1.02 -1.26 0.69 119.74 128.33 1gan s LYS 13 Ca 0.31 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 54.95 1gan s LYS 13 Cb -0.14 -2.58 -0.14 0.00 -0.52 0.00 0.00 37.83 34.45 1gan s LYS 13 CO 0.14 0.38 1.19 -2.30 -0.92 0.00 0.00 175.35 173.83 1gan n PRO 14 N -1.21 1.66 -0.49 -1.68 -0.02 -1.26 -1.98 135.00 130.02 1gan n PRO 14 Ca -0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1gan n PRO 14 Cb 0.58 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1gan n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gan n GLY 15 N 1.43 0.75 3.61 -1.23 0.00 0.24 -4.99 105.19 105.01 1gan n GLY 15 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1gan n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gan s HIS 16 N -2.38 2.20 0.15 1.61 3.76 -0.84 -4.95 115.29 114.84 1gan s HIS 16 Ca 0.00 -0.84 -0.09 0.00 -0.15 0.00 0.00 55.06 53.98 1gan s HIS 16 Cb 0.00 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 1gan s HIS 16 CO 0.00 0.25 0.26 0.00 -0.85 0.00 0.00 174.74 174.40 1gan s VAL 18 N -3.94 0.76 -0.12 0.00 0.11 -0.64 -2.11 120.40 114.47 1gan s VAL 18 Ca 0.14 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1gan s VAL 18 Cb 0.04 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1gan s VAL 18 CO -0.03 0.26 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.25 1gan s GLU 19 N 0.65 3.33 -0.09 1.54 2.12 0.79 -1.42 118.70 125.62 1gan s GLU 19 Ca -0.10 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.70 1gan s GLU 19 Cb -0.13 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.45 1gan s GLU 19 CO 0.01 0.39 -0.13 0.42 -0.54 0.00 0.00 175.26 175.42 1gan s ILE 20 N -0.05 3.15 -0.12 -3.70 -1.09 0.13 -1.89 121.20 117.63 1gan s ILE 20 Ca 0.01 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.80 1gan s ILE 20 Cb -0.13 -2.28 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1gan s ILE 20 CO 0.03 0.56 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.54 1gan s LYS 21 N -0.25 2.87 0.25 2.79 1.02 -0.49 -1.90 119.74 124.03 1gan s LYS 21 Ca 0.02 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1gan s LYS 21 Cb -0.13 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1gan s LYS 21 CO 0.03 0.04 0.35 0.41 -0.92 0.00 0.00 175.35 175.26 1gan n GLY 22 N 3.90 2.39 3.01 -3.33 0.00 -0.35 0.10 105.19 110.91 1gan n GLY 22 Ca -0.20 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 1gan n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gan s SER 23 N -2.55 0.88 -0.34 1.61 1.04 -0.25 -0.61 113.70 113.48 1gan s SER 23 Ca 0.21 -0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 1gan s SER 23 Cb -0.01 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1gan s SER 23 CO 0.15 0.02 0.39 -0.63 0.98 0.00 0.00 173.24 174.15 1gan s ILE 24 N -0.45 5.14 0.41 -1.02 1.01 -0.36 -1.04 121.20 124.89 1gan s ILE 24 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.56 1gan s ILE 24 Cb -0.04 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.49 1gan s ILE 24 CO 0.00 -0.08 1.01 -2.65 0.00 0.00 0.00 174.94 173.22 1gan n PRO 25 N 5.44 1.36 0.21 2.79 -0.02 -1.26 -0.98 135.00 142.52 1gan n PRO 25 Ca -0.08 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 1gan n PRO 25 Cb 0.49 -2.03 0.45 0.00 -0.02 0.00 0.00 33.50 32.39 1gan n PRO 25 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gan h PRO 26 N 1.57 0.00 -0.80 0.52 0.13 -1.94 -2.41 132.00 129.06 1gan h PRO 26 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1gan h PRO 26 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1gan h PRO 26 CO 0.57 0.29 0.01 -0.25 -0.23 0.00 0.00 178.00 178.39 1gan n ASP 27 N -3.98 3.34 -4.63 1.44 9.92 -1.26 -4.87 116.55 116.50 1gan n ASP 27 Ca -0.02 -2.47 -0.38 0.00 -0.53 0.00 0.00 54.79 51.39 1gan n ASP 27 Cb 0.36 -0.59 -0.09 0.00 -0.64 0.00 0.00 41.12 40.16 1gan n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gan n LYS 29 N 4.91 0.16 0.00 0.00 5.02 -1.26 -4.84 118.16 122.14 1gan n LYS 29 Ca -0.10 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1gan n LYS 29 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1gan n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gan n GLY 30 N 1.44 1.92 3.04 0.72 0.00 -1.26 -1.20 105.19 109.85 1gan n GLY 30 Ca 0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1gan n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gan s PHE 31 N -2.00 0.41 0.03 1.61 -0.12 -0.69 -4.61 117.98 112.62 1gan s PHE 31 Ca 0.00 -0.82 0.02 0.00 -0.05 0.00 0.00 56.93 56.08 1gan s PHE 31 Cb 0.00 -0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 42.07 1gan s PHE 31 CO 0.00 -0.29 -0.07 0.00 -0.05 0.00 0.00 175.22 174.82 1gan s ALA 32 N -2.77 0.50 -0.10 1.99 0.00 0.27 -0.75 121.76 120.90 1gan s ALA 32 Ca -0.03 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1gan s ALA 32 Cb -0.00 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1gan s ALA 32 CO -0.06 -0.02 -0.20 0.08 0.00 0.00 0.00 175.76 175.56 1gan s VAL 33 N -1.24 1.80 -0.07 0.00 1.01 -0.09 -0.50 120.40 121.30 1gan s VAL 33 Ca -0.09 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1gan s VAL 33 Cb -0.09 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1gan s VAL 33 CO 0.00 0.50 -0.22 0.20 0.00 0.00 0.00 175.10 175.58 1gan s ASN 34 N 0.57 3.33 -0.09 3.32 0.01 0.57 -0.47 114.94 122.17 1gan s ASN 34 Ca -0.15 -0.45 0.02 0.00 -0.71 0.00 0.00 52.86 51.58 1gan s ASN 34 Cb -0.17 -0.99 0.01 0.00 0.41 0.00 0.00 41.25 40.52 1gan s ASN 34 CO 0.05 0.24 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.96 1gan s LEU 35 N -0.14 1.78 0.00 0.60 1.43 0.49 -1.74 118.68 121.10 1gan s LEU 35 Ca -0.04 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1gan s LEU 35 Cb -0.14 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1gan s LEU 35 CO 0.04 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1gan n GLY 36 N 3.89 1.06 0.12 -3.19 0.00 -0.32 0.06 105.19 106.80 1gan n GLY 36 Ca -0.21 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 1gan n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gan n GLU 37 N 0.00 0.71 -3.44 1.61 1.02 -0.50 -1.14 120.64 118.90 1gan n GLU 37 Ca 0.00 0.25 -0.03 0.00 -0.02 0.00 0.00 57.16 57.36 1gan n GLU 37 Cb 0.00 -1.71 0.02 0.00 -0.02 0.00 0.00 31.44 29.73 1gan n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1gan n ASP 38 N -3.31 -1.50 0.00 1.62 5.68 -1.21 -4.48 116.55 113.35 1gan n ASP 38 Ca -0.29 -1.83 0.02 0.00 -0.50 0.00 0.00 54.79 52.20 1gan n ASP 38 Cb 1.05 2.46 0.11 0.00 -1.14 0.00 0.00 41.12 43.60 1gan n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gan n ALA 39 N -1.12 1.45 0.12 2.12 0.00 -1.26 -1.85 120.51 119.97 1gan n ALA 39 Ca -0.12 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1gan n ALA 39 Cb 0.49 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1gan n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gan n SER 40 N -1.23 0.86 -3.70 0.00 7.64 -1.26 -4.93 113.62 111.00 1gan n SER 40 Ca 0.02 -0.93 -0.28 0.00 1.01 0.00 0.00 58.87 58.69 1gan n SER 40 Cb 0.03 0.34 -0.16 0.00 -1.01 0.00 0.00 64.21 63.41 1gan n SER 40 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1gan s ASN 41 N -0.58 3.13 -0.12 6.43 0.01 -0.77 -1.41 114.94 121.63 1gan s ASN 41 Ca 0.03 -1.00 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 1gan s ASN 41 Cb 0.02 -0.59 -0.01 0.00 0.41 0.00 0.00 41.25 41.08 1gan s ASN 41 CO 0.06 -0.34 -0.14 -0.36 -1.51 0.00 0.00 177.10 174.81 1gan s PHE 42 N 1.87 2.79 0.07 2.20 0.08 1.00 -1.41 117.98 124.57 1gan s PHE 42 Ca 0.02 -0.63 -0.12 0.00 0.12 0.00 0.00 56.93 56.32 1gan s PHE 42 Cb -0.17 -1.82 -0.27 0.00 -0.57 0.00 0.00 43.02 40.19 1gan s PHE 42 CO -0.14 -0.19 1.13 1.25 -0.10 0.00 0.00 175.22 177.16 1gan h LEU 43 N 6.61 0.79 -7.47 -0.37 5.85 -0.64 0.74 115.31 120.82 1gan h LEU 43 Ca -0.27 -0.73 -0.26 0.00 0.84 0.00 0.00 57.88 57.46 1gan h LEU 43 Cb 1.21 -0.25 -0.32 0.00 0.37 0.00 0.00 40.66 41.67 1gan h LEU 43 CO 0.55 1.54 -0.64 -0.22 -0.34 0.00 0.00 178.44 179.33 1gan s LEU 44 N -7.76 0.88 -0.26 2.25 2.96 -0.74 -4.43 118.68 111.58 1gan s LEU 44 Ca -0.08 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1gan s LEU 44 Cb 0.06 0.22 0.06 0.00 0.50 0.00 0.00 46.19 47.04 1gan s LEU 44 CO 0.92 -0.14 -0.07 -2.28 -1.32 0.00 0.00 176.35 173.47 1gan s HIS 45 N 1.08 2.92 -0.40 5.38 5.65 0.11 -0.38 115.29 129.65 1gan s HIS 45 Ca -0.09 -2.14 -0.15 0.00 0.25 0.00 0.00 55.06 52.94 1gan s HIS 45 Cb -0.11 -1.86 0.02 0.00 -1.18 0.00 0.00 32.58 29.44 1gan s HIS 45 CO -0.05 -0.84 0.29 0.12 -0.65 0.00 0.00 174.74 173.61 1gan s PHE 46 N 1.22 3.24 -0.30 3.88 2.19 0.38 -1.48 117.98 127.10 1gan s PHE 46 Ca -0.06 -0.61 0.02 0.00 0.33 0.00 0.00 56.93 56.61 1gan s PHE 46 Cb -0.19 -2.57 0.07 0.00 -1.31 0.00 0.00 43.02 39.02 1gan s PHE 46 CO -0.06 -0.59 -0.01 1.21 1.83 0.00 0.00 175.22 177.60 1gan s ASN 47 N 1.67 4.71 -0.38 6.13 3.04 0.53 -0.92 114.94 129.72 1gan s ASN 47 Ca 0.05 -1.64 -0.23 0.00 0.04 0.00 0.00 52.86 51.08 1gan s ASN 47 Cb -0.19 -1.63 0.01 0.00 -1.54 0.00 0.00 41.25 37.90 1gan s ASN 47 CO 0.10 -0.29 0.76 0.00 -3.04 0.00 0.00 177.10 174.63 1gan s ALA 48 N 1.08 3.41 -0.25 1.71 0.00 0.07 -0.99 121.76 126.79 1gan s ALA 48 Ca -0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1gan s ALA 48 Cb -0.20 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1gan s ALA 48 CO -0.05 -1.54 0.09 1.03 0.00 0.00 0.00 175.76 175.29 1gan s ARG 49 N 3.07 3.74 -0.07 0.00 0.52 0.35 -1.71 118.95 124.85 1gan s ARG 49 Ca 0.30 -0.43 -0.17 0.00 -0.52 0.00 0.00 55.73 54.90 1gan s ARG 49 Cb -0.13 -3.38 -0.29 0.00 0.52 0.00 0.00 34.95 31.67 1gan s ARG 49 CO 0.18 -0.14 0.70 0.74 0.02 0.00 0.00 175.30 176.80 1gan h PHE 50 N 8.10 0.53 -0.81 -0.53 0.04 -1.40 0.16 116.94 123.03 1gan h PHE 50 Ca -0.37 -0.39 -0.04 0.00 2.80 0.00 0.00 57.97 59.96 1gan h PHE 50 Cb 1.18 -0.02 -0.18 0.00 2.20 0.00 0.00 35.95 39.13 1gan h PHE 50 CO 0.68 1.49 -0.38 0.34 -0.60 0.00 0.00 178.31 179.83 1gan s ASP 51 N -7.07 -1.22 -0.13 2.17 -1.08 -1.09 -1.73 116.67 106.52 1gan s ASP 51 Ca -0.17 -0.87 -0.08 0.00 -0.52 0.00 0.00 52.55 50.90 1gan s ASP 51 Cb 0.03 1.58 0.05 0.00 -1.46 0.00 0.00 42.92 43.12 1gan s ASP 51 CO 0.80 -0.11 0.33 -0.22 0.52 0.00 0.00 175.17 176.50 1gan s LEU 52 N 1.57 0.31 -0.94 -1.34 2.96 0.06 -4.81 118.68 116.50 1gan s LEU 52 Ca 0.20 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1gan s LEU 52 Cb -0.01 1.08 0.00 0.00 0.50 0.00 0.00 46.19 47.76 1gan s LEU 52 CO -0.08 -0.16 0.00 1.41 -1.32 0.00 0.00 176.35 176.20 1gan n HIS 53 N 3.87 -1.29 0.00 5.38 8.25 -1.26 0.01 115.22 130.18 1gan n HIS 53 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1gan n HIS 53 Cb 0.55 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 29.23 1gan n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gan n GLY 54 N -0.64 2.99 3.74 -1.41 0.00 -1.26 -5.03 105.19 103.58 1gan n GLY 54 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1gan n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gan s ASP 55 N -1.19 7.14 -0.16 1.61 1.01 0.10 -5.04 116.67 120.14 1gan s ASP 55 Ca 0.00 1.37 0.01 0.00 0.71 0.00 0.00 52.55 54.63 1gan s ASP 55 Cb 0.00 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.50 1gan s ASP 55 CO 0.00 -0.03 -0.15 -0.69 0.21 0.00 0.00 175.17 174.51 1gan s VAL 56 N 0.23 1.72 -1.36 -1.27 1.01 -1.26 -0.76 120.40 118.71 1gan s VAL 56 Ca 0.38 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1gan s VAL 56 Cb -0.20 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1gan s VAL 56 CO 0.21 0.45 0.89 0.59 0.00 0.00 0.00 175.10 177.24 1gan n ASN 57 N 4.72 -2.92 -4.15 3.32 3.02 0.41 -4.96 115.26 114.71 1gan n ASN 57 Ca -0.18 -0.74 -0.22 0.00 -0.03 0.00 0.00 54.58 53.41 1gan n ASN 57 Cb 0.50 -4.31 -0.14 0.00 -0.61 0.00 0.00 39.78 35.21 1gan n ASN 57 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gan s LYS 58 N -6.09 1.10 -0.26 3.52 1.02 -0.27 -4.75 119.74 114.01 1gan s LYS 58 Ca 0.25 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.44 1gan s LYS 58 Cb -0.12 -1.10 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 1gan s LYS 58 CO 0.79 0.29 0.24 0.42 -0.92 0.00 0.00 175.35 176.17 1gan s ILE 59 N -0.63 5.29 -0.15 2.17 1.01 -1.24 -0.49 121.20 127.16 1gan s ILE 59 Ca 0.04 0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 1gan s ILE 59 Cb -0.07 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1gan s ILE 59 CO 0.01 0.26 -0.10 -0.69 0.00 0.00 0.00 174.94 174.42 1gan s VAL 60 N 1.54 3.26 -0.01 2.92 1.01 -0.17 -1.66 120.40 127.30 1gan s VAL 60 Ca 0.10 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1gan s VAL 60 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1gan s VAL 60 CO 0.08 0.50 -0.25 0.00 0.00 0.00 0.00 175.10 175.43 1gan s ASN 62 N -0.69 -0.20 0.34 0.00 3.84 -0.55 -0.34 114.94 117.33 1gan s ASN 62 Ca 0.10 -0.71 0.09 0.00 0.21 0.00 0.00 52.86 52.56 1gan s ASN 62 Cb -0.10 0.74 -0.06 0.00 -0.55 0.00 0.00 41.25 41.28 1gan s ASN 62 CO -0.01 -1.39 -0.06 -0.94 -2.79 0.00 0.00 177.10 171.92 1gan s SER 63 N -2.96 3.90 -0.03 -4.21 1.04 -1.26 0.07 113.70 110.24 1gan s SER 63 Ca 0.12 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.45 1gan s SER 63 Cb -0.05 -0.42 0.02 0.00 0.10 0.00 0.00 66.02 65.67 1gan s SER 63 CO 0.08 -0.20 -0.02 -0.75 0.98 0.00 0.00 173.24 173.33 1gan s LYS 64 N -3.64 0.49 -0.17 4.02 2.20 0.25 -0.93 119.74 121.95 1gan s LYS 64 Ca 0.33 -0.00 -0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1gan s LYS 64 Cb 0.01 -0.59 0.04 0.00 -1.51 0.00 0.00 37.83 35.78 1gan s LYS 64 CO 0.17 -0.10 -0.05 -2.00 -0.36 0.00 0.00 175.35 173.01 1gan s GLU 65 N 0.90 1.44 -1.36 4.03 2.12 -0.62 -0.00 118.70 125.21 1gan s GLU 65 Ca -0.10 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 54.60 1gan s GLU 65 Cb -0.13 -2.06 0.02 0.00 0.26 0.00 0.00 34.13 32.22 1gan s GLU 65 CO -0.01 -0.45 1.05 0.00 -0.54 0.00 0.00 175.26 175.32 1gan n ALA 66 N 4.86 -1.52 -1.09 6.30 0.00 -0.50 -1.54 120.51 127.03 1gan n ALA 66 Ca -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 1gan n ALA 66 Cb 0.47 -4.31 -0.01 0.00 0.00 0.00 0.00 19.45 15.60 1gan n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gan n ASP 67 N -3.00 -5.12 -4.29 0.00 8.00 -0.50 -4.97 116.55 106.66 1gan n ASP 67 Ca -0.07 0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1gan n ASP 67 Cb 0.59 -2.90 -0.14 0.00 -0.02 0.00 0.00 41.12 38.65 1gan n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gan s ALA 68 N -1.53 2.83 0.41 2.24 0.00 -0.59 -5.09 121.76 120.04 1gan s ALA 68 Ca 0.00 -1.27 -0.26 0.00 0.00 0.00 0.00 51.96 50.44 1gan s ALA 68 Cb 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 23.12 21.27 1gan s ALA 68 CO 0.00 -0.58 1.32 -1.58 0.00 0.00 0.00 175.76 174.92 1gan s TRP 69 N 1.45 2.76 0.00 0.00 0.52 -1.26 -1.59 118.94 120.82 1gan s TRP 69 Ca 0.04 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.55 1gan s TRP 69 Cb -0.15 -3.70 0.00 0.00 -1.15 0.00 0.00 33.47 28.47 1gan s TRP 69 CO -0.03 -2.21 0.00 0.41 0.02 0.00 0.00 176.95 175.15 1gan n GLY 70 N 0.65 0.91 3.65 0.98 0.00 -0.11 -4.93 105.19 106.34 1gan n GLY 70 Ca 0.04 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 1gan n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gan s SER 71 N -1.00 6.99 0.51 1.61 0.01 -1.26 -4.86 113.70 115.69 1gan s SER 71 Ca 0.00 1.16 -0.21 0.00 1.31 0.00 0.00 55.95 58.21 1gan s SER 71 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 1gan s SER 71 CO 0.00 -0.80 1.17 -1.61 0.41 0.00 0.00 173.24 172.41 1gan s GLU 72 N 3.47 3.51 -0.06 12.44 2.02 -1.26 -4.64 118.70 134.18 1gan s GLU 72 Ca 0.45 1.76 0.03 0.00 0.02 0.00 0.00 54.97 57.22 1gan s GLU 72 Cb -0.13 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 31.89 1gan s GLU 72 CO 0.12 -0.76 -0.13 -1.14 0.02 0.00 0.00 175.26 173.37 1gan s GLN 73 N -2.96 1.72 0.10 1.61 0.74 0.53 -4.99 119.66 116.42 1gan s GLN 73 Ca 0.68 -0.46 0.08 0.00 0.05 0.00 0.00 55.36 55.72 1gan s GLN 73 Cb -0.28 -1.43 -0.04 0.00 1.10 0.00 0.00 33.01 32.36 1gan s GLN 73 CO 0.33 0.07 -0.15 1.03 -0.55 0.00 0.00 175.29 176.03 1gan s ARG 74 N 0.52 1.97 0.06 1.67 0.52 -1.26 -0.71 118.95 121.72 1gan s ARG 74 Ca -0.12 -1.09 0.08 0.00 -0.52 0.00 0.00 55.73 54.08 1gan s ARG 74 Cb -0.15 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1gan s ARG 74 CO 0.04 0.50 -0.22 -1.21 0.02 0.00 0.00 175.30 174.43 1gan s GLU 75 N -2.08 1.37 0.06 3.54 0.41 -0.66 -5.01 118.70 116.32 1gan s GLU 75 Ca 0.19 -1.02 -0.15 0.00 -0.41 0.00 0.00 54.97 53.57 1gan s GLU 75 Cb -0.11 -1.54 -0.23 0.00 -1.78 0.00 0.00 34.13 30.48 1gan s GLU 75 CO 0.11 0.38 1.18 0.78 -0.49 0.00 0.00 175.26 177.22 1gan h GLY 76 N 4.64 0.71 -3.85 -1.39 0.00 -1.96 -3.28 103.07 97.95 1gan h GLY 76 Ca -0.44 -1.23 -0.54 0.00 0.00 0.00 0.00 47.33 45.12 1gan h GLY 76 CO 0.43 1.09 0.75 0.14 0.00 0.00 0.00 176.54 178.94 1gan s VAL 77 N -3.32 2.14 -0.45 4.60 1.01 -1.26 -4.92 120.40 118.19 1gan s VAL 77 Ca -0.11 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1gan s VAL 77 Cb 0.06 -3.08 0.18 0.00 0.00 0.00 0.00 36.38 33.53 1gan s VAL 77 CO 0.90 0.03 0.57 0.12 0.00 0.00 0.00 175.10 176.72 1gan s PHE 78 N -1.14 -0.86 -0.32 5.22 2.19 -1.26 -4.56 117.98 117.24 1gan s PHE 78 Ca 0.54 -0.83 -0.03 0.00 0.33 0.00 0.00 56.93 56.94 1gan s PHE 78 Cb -0.45 -0.06 0.09 0.00 -1.31 0.00 0.00 43.02 41.29 1gan s PHE 78 CO 0.61 -1.12 2.47 -0.35 1.83 0.00 0.00 175.22 178.66 1gan n PRO 79 N 3.40 2.01 -4.27 10.12 -0.04 -1.26 -4.91 135.00 140.05 1gan n PRO 79 Ca 0.18 -1.72 -0.22 0.00 -0.04 0.00 0.00 63.50 61.70 1gan n PRO 79 Cb 0.53 -1.82 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 1gan n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1gan s PHE 80 N -1.39 1.64 -0.02 0.54 0.08 -1.26 -4.99 117.98 112.58 1gan s PHE 80 Ca 0.44 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.04 1gan s PHE 80 Cb 0.29 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1gan s PHE 80 CO -0.09 0.19 0.03 -1.14 -0.10 0.00 0.00 175.22 174.11 1gan s GLN 81 N -2.05 -0.02 0.60 0.44 0.74 -1.26 -5.11 119.66 112.99 1gan s GLN 81 Ca 0.06 0.17 -0.18 0.00 0.05 0.00 0.00 55.36 55.46 1gan s GLN 81 Cb -0.09 -0.20 -0.07 0.00 1.10 0.00 0.00 33.01 33.76 1gan s GLN 81 CO 0.04 -0.14 0.71 1.04 -0.55 0.00 0.00 175.29 176.39 1gan n GLN 82 N 3.99 0.64 0.00 1.67 6.02 -1.26 -1.22 117.38 127.21 1gan n GLN 82 Ca -0.25 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1gan n GLN 82 Cb 0.52 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1gan n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gan n GLY 83 N 1.57 2.12 3.96 1.08 0.00 -0.15 -4.96 105.19 108.79 1gan n GLY 83 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1gan n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gan s ALA 84 N -1.69 2.70 0.58 4.61 0.00 -0.36 -4.68 121.76 122.91 1gan s ALA 84 Ca 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1gan s ALA 84 Cb 0.00 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.68 1gan s ALA 84 CO 0.00 -2.19 0.81 -2.00 0.00 0.00 0.00 175.76 172.38 1gan s GLU 85 N -5.67 2.39 -0.12 0.00 2.12 -1.26 -1.23 118.70 114.92 1gan s GLU 85 Ca 0.73 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 55.13 1gan s GLU 85 Cb -0.04 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.94 1gan s GLU 85 CO 0.51 -0.85 0.30 0.08 -0.54 0.00 0.00 175.26 174.76 1gan s VAL 86 N -2.83 -0.02 -0.20 3.70 1.01 0.22 -4.83 120.40 117.44 1gan s VAL 86 Ca 0.59 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1gan s VAL 86 Cb -0.09 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.91 1gan s VAL 86 CO 0.39 0.03 0.07 -0.32 0.00 0.00 0.00 175.10 175.27 1gan s MET 87 N 0.92 0.43 0.03 2.72 1.75 -1.26 -1.22 119.30 122.68 1gan s MET 87 Ca -0.06 -0.38 0.08 0.00 -1.25 0.00 0.00 55.69 54.09 1gan s MET 87 Cb -0.07 -1.93 -0.03 0.00 2.84 0.00 0.00 34.83 35.64 1gan s MET 87 CO -0.06 -0.71 -0.24 0.08 -0.65 0.00 0.00 175.02 173.43 1gan s VAL 88 N 1.95 1.97 0.02 10.11 1.01 -0.80 -2.53 120.40 132.13 1gan s VAL 88 Ca 0.02 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 60.80 1gan s VAL 88 Cb -0.17 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1gan s VAL 88 CO -0.12 0.35 -0.24 0.00 0.00 0.00 0.00 175.10 175.10 1gan s PHE 90 N -0.71 2.27 -0.25 0.00 0.40 -0.51 -1.44 117.98 117.74 1gan s PHE 90 Ca 0.09 -1.18 -0.04 0.00 -0.60 0.00 0.00 56.93 55.21 1gan s PHE 90 Cb -0.09 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.83 1gan s PHE 90 CO 0.01 -0.59 -0.02 -2.00 0.70 0.00 0.00 175.22 173.32 1gan s GLU 91 N 1.11 3.16 -0.32 0.44 2.12 -0.25 -1.61 118.70 123.34 1gan s GLU 91 Ca -0.02 -0.78 -0.22 0.00 0.36 0.00 0.00 54.97 54.30 1gan s GLU 91 Cb -0.14 -3.10 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 1gan s GLU 91 CO -0.05 -0.32 0.72 -0.47 -0.54 0.00 0.00 175.26 174.61 1gan s TYR 92 N 1.44 3.19 0.19 5.30 5.04 -0.15 -1.06 117.35 131.30 1gan s TYR 92 Ca 0.03 0.65 0.09 0.00 -2.44 0.00 0.00 57.07 55.41 1gan s TYR 92 Cb -0.16 -3.17 -0.04 0.00 0.35 0.00 0.00 41.96 38.94 1gan s TYR 92 CO -0.02 -0.57 -0.18 -0.65 -1.34 0.00 0.00 175.55 172.79 1gan s GLN 93 N 2.85 1.35 0.43 4.97 -0.21 0.18 0.83 119.66 130.06 1gan s GLN 93 Ca 0.29 -1.50 0.10 0.00 0.02 0.00 0.00 55.36 54.28 1gan s GLN 93 Cb -0.14 -1.38 0.95 0.00 1.00 0.00 0.00 33.01 33.44 1gan s GLN 93 CO 0.13 0.27 2.03 1.79 -2.12 0.00 0.00 175.29 177.40 1gan h THR 94 N 2.98 1.02 0.00 -0.19 1.35 -1.96 -2.75 112.91 113.36 1gan h THR 94 Ca -0.41 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1gan h THR 94 Cb 1.22 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1gan h THR 94 CO 0.54 0.08 -0.89 -0.90 -0.25 0.00 0.00 175.52 174.10 1gan n ASP 95 N -4.48 0.87 -3.61 5.36 5.75 -1.26 -4.73 116.55 114.45 1gan n ASP 95 Ca 0.05 -0.81 -0.01 0.00 -0.01 0.00 0.00 54.79 54.01 1gan n ASP 95 Cb 0.18 0.83 -0.01 0.00 -1.03 0.00 0.00 41.12 41.09 1gan n ASP 95 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1gan s LYS 96 N -3.01 0.42 -0.12 0.11 -2.85 -1.04 -3.36 119.74 109.90 1gan s LYS 96 Ca 0.09 -0.21 0.03 0.00 -1.00 0.00 0.00 55.97 54.88 1gan s LYS 96 Cb 0.16 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1gan s LYS 96 CO 0.83 -0.19 -0.22 0.42 0.10 0.00 0.00 175.35 176.29 1gan s ILE 97 N -2.50 2.19 -0.19 3.79 1.01 0.35 -0.65 121.20 125.21 1gan s ILE 97 Ca 0.12 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1gan s ILE 97 Cb 0.02 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1gan s ILE 97 CO -0.04 0.55 0.04 -0.51 0.00 0.00 0.00 174.94 174.98 1gan s ILE 98 N 0.51 4.51 -0.22 2.92 1.10 -0.22 -0.85 121.20 128.95 1gan s ILE 98 Ca -0.14 -0.13 -0.11 0.00 -0.51 0.00 0.00 60.65 59.76 1gan s ILE 98 Cb -0.17 -3.04 -0.05 0.00 0.15 0.00 0.00 42.46 39.36 1gan s ILE 98 CO 0.05 0.44 0.18 -0.63 -2.11 0.00 0.00 174.94 172.87 1gan s ILE 99 N 0.63 5.36 0.02 2.00 1.09 -0.07 -1.09 121.20 129.14 1gan s ILE 99 Ca 0.02 0.25 0.07 0.00 -1.10 0.00 0.00 60.65 59.89 1gan s ILE 99 Cb -0.13 -3.52 -0.02 0.00 -1.06 0.00 0.00 42.46 37.73 1gan s ILE 99 CO 0.02 0.37 -0.20 -0.54 -0.10 0.00 0.00 174.94 174.49 1gan s LYS 100 N 0.79 1.48 0.25 2.79 1.02 -0.52 -1.78 119.74 123.76 1gan s LYS 100 Ca 0.09 -0.82 0.10 0.00 0.02 0.00 0.00 55.97 55.36 1gan s LYS 100 Cb -0.13 -1.51 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 1gan s LYS 100 CO 0.02 0.40 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.72 1gan s PHE 101 N -0.64 2.58 0.56 3.18 0.08 -0.58 -1.11 117.98 122.05 1gan s PHE 101 Ca 0.07 -0.25 0.25 0.00 0.12 0.00 0.00 56.93 57.12 1gan s PHE 101 Cb -0.08 -1.17 1.51 0.00 -0.57 0.00 0.00 43.02 42.71 1gan s PHE 101 CO 0.01 0.62 2.10 0.66 -0.10 0.00 0.00 175.22 178.50 1gan h SER 102 N 2.23 0.00 0.23 1.36 4.64 -1.82 -0.13 113.55 120.06 1gan h SER 102 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1gan h SER 102 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1gan h SER 102 CO 0.59 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 1gan n SER 103 N -4.13 0.00 0.00 4.97 3.41 -1.26 -4.83 113.62 111.78 1gan n SER 103 Ca 0.02 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1gan n SER 103 Cb 0.32 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1gan n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gan n GLY 104 N -0.68 1.66 3.82 5.00 0.00 -0.06 -5.06 105.19 109.87 1gan n GLY 104 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1gan n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gan s ASP 105 N -2.23 5.57 -0.02 1.61 1.01 -1.26 -4.85 116.67 116.52 1gan s ASP 105 Ca 0.00 1.68 -0.29 0.00 0.71 0.00 0.00 52.55 54.65 1gan s ASP 105 Cb 0.00 -2.51 0.09 0.00 1.01 0.00 0.00 42.92 41.51 1gan s ASP 105 CO 0.00 -1.31 0.77 0.00 0.21 0.00 0.00 175.17 174.84 1gan s GLN 106 N -4.68 0.96 0.26 8.23 -2.07 -1.26 -1.53 119.66 119.57 1gan s GLN 106 Ca 0.60 -0.02 -0.13 0.00 -1.82 0.00 0.00 55.36 53.99 1gan s GLN 106 Cb -0.14 0.45 -0.00 0.00 -1.09 0.00 0.00 33.01 32.22 1gan s GLN 106 CO 0.48 -0.35 0.50 -0.59 -1.32 0.00 0.00 175.29 174.01 1gan s PHE 107 N -2.05 0.37 0.22 9.60 -0.12 -0.74 -5.01 117.98 120.25 1gan s PHE 107 Ca -0.04 -0.74 0.10 0.00 -0.05 0.00 0.00 56.93 56.20 1gan s PHE 107 Cb -0.00 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 1gan s PHE 107 CO -0.00 -1.04 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.40 1gan s SER 108 N -3.03 3.08 -0.02 1.98 1.04 -1.26 -0.89 113.70 114.60 1gan s SER 108 Ca 0.22 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1gan s SER 108 Cb -0.01 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.90 1gan s SER 108 CO 0.10 -0.03 -0.03 0.12 0.98 0.00 0.00 173.24 174.38 1gan s PHE 109 N -2.44 0.48 0.57 5.02 5.36 -0.03 -4.95 117.98 121.99 1gan s PHE 109 Ca 0.24 -0.09 -0.20 0.00 -0.96 0.00 0.00 56.93 55.91 1gan s PHE 109 Cb -0.04 -0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 42.18 1gan s PHE 109 CO 0.10 -0.09 1.30 -1.25 -1.46 0.00 0.00 175.22 173.82 1gan s PRO 110 N 0.49 3.02 -0.45 10.12 0.04 -1.26 -0.49 135.00 146.47 1gan s PRO 110 Ca -0.05 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1gan s PRO 110 Cb -0.09 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1gan s PRO 110 CO -0.01 -1.23 0.53 0.08 0.04 0.00 0.00 177.00 176.41 1gan s VAL 111 N -1.40 4.98 -1.91 -0.36 1.01 -1.21 -4.75 120.40 116.76 1gan s VAL 111 Ca 0.75 -0.32 0.28 0.00 0.00 0.00 0.00 61.98 62.69 1gan s VAL 111 Cb -0.37 -4.15 0.42 0.00 0.00 0.00 0.00 36.38 32.28 1gan s VAL 111 CO 0.42 -0.57 1.73 0.54 0.00 0.00 0.00 175.10 177.22 1gan n ARG 112 N 5.88 0.99 -3.26 2.72 1.74 -1.26 -4.67 116.66 118.80 1gan n ARG 112 Ca -0.06 -0.50 -0.02 0.00 -0.77 0.00 0.00 57.85 56.50 1gan n ARG 112 Cb 0.47 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1gan n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1gan s LYS 113 N -2.35 0.47 -0.24 5.56 2.47 -1.26 -5.11 119.74 119.27 1gan s LYS 113 Ca 0.30 0.81 -0.29 0.00 -1.56 0.00 0.00 55.97 55.23 1gan s LYS 113 Cb 0.20 0.11 -0.01 0.00 -1.46 0.00 0.00 37.83 36.67 1gan s LYS 113 CO 0.46 -0.61 1.38 0.08 0.16 0.00 0.00 175.35 176.82 1gan s VAL 114 N 2.72 4.04 0.02 4.02 1.01 -1.26 -5.01 120.40 125.94 1gan s VAL 114 Ca 0.16 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.39 1gan s VAL 114 Cb -0.15 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1gan s VAL 114 CO -0.19 -0.34 -0.15 -0.76 0.00 0.00 0.00 175.10 173.66 1gan s LEU 115 N 4.38 2.75 0.45 3.92 1.43 -1.26 -5.01 118.68 125.34 1gan s LEU 115 Ca 0.60 -0.33 0.12 0.00 -1.03 0.00 0.00 54.13 53.49 1gan s LEU 115 Cb -0.20 -1.60 1.00 0.00 0.03 0.00 0.00 46.19 45.42 1gan s LEU 115 CO 0.23 0.27 2.04 -0.65 0.23 0.00 0.00 176.35 178.47 1gan h PRO 116 N 4.64 0.18 -2.77 1.29 0.11 -1.94 -3.45 132.00 130.06 1gan h PRO 116 Ca -0.48 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1gan h PRO 116 Cb 1.16 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.10 1gan h PRO 116 CO 0.49 0.22 0.30 -1.54 -0.21 0.00 0.00 178.00 177.26 1gan s SER 117 N -6.92 -0.51 -0.35 -2.05 1.04 -1.26 -4.28 113.70 99.37 1gan s SER 117 Ca -0.06 0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.29 1gan s SER 117 Cb 0.16 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.84 1gan s SER 117 CO 0.71 -0.86 0.15 -0.63 0.98 0.00 0.00 173.24 173.59 1gan s ILE 118 N -3.53 4.25 -0.21 -1.02 1.01 0.22 -4.87 121.20 117.05 1gan s ILE 118 Ca 0.02 -0.89 0.18 0.00 0.00 0.00 0.00 60.65 59.97 1gan s ILE 118 Cb -0.01 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.16 1gan s ILE 118 CO -0.12 -0.15 1.23 1.55 0.00 0.00 0.00 174.94 177.46 1gan h PRO 119 N 8.33 0.00 -6.32 2.79 0.13 -1.85 -1.25 132.00 133.83 1gan h PRO 119 Ca -0.26 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.23 1gan h PRO 119 Cb 1.10 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.95 1gan h PRO 119 CO 0.63 0.27 -0.86 0.12 -0.23 0.00 0.00 178.00 177.93 1gan s PHE 120 N -3.06 2.05 -0.00 1.56 2.19 -0.29 -0.15 117.98 120.27 1gan s PHE 120 Ca 0.02 -0.39 0.00 0.00 0.33 0.00 0.00 56.93 56.89 1gan s PHE 120 Cb 0.08 -1.27 -0.00 0.00 -1.31 0.00 0.00 43.02 40.52 1gan s PHE 120 CO 0.76 0.04 -0.01 -1.17 1.83 0.00 0.00 175.22 176.66 1gan s LEU 121 N -0.87 2.01 0.03 6.12 0.20 -0.37 -1.18 118.68 124.62 1gan s LEU 121 Ca 0.09 -0.03 -0.10 0.00 0.69 0.00 0.00 54.13 54.79 1gan s LEU 121 Cb -0.09 -0.06 0.00 0.00 -0.43 0.00 0.00 46.19 45.62 1gan s LEU 121 CO 0.01 0.01 0.20 -0.94 -0.29 0.00 0.00 176.35 175.33 1gan s SER 122 N -0.05 0.01 0.16 3.68 1.04 -0.71 0.46 113.70 118.29 1gan s SER 122 Ca 0.00 -0.30 0.10 0.00 0.48 0.00 0.00 55.95 56.23 1gan s SER 122 Cb -0.01 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1gan s SER 122 CO -0.00 -0.52 -0.22 -0.76 0.98 0.00 0.00 173.24 172.72 1gan s LEU 123 N -1.91 2.39 -0.02 2.42 1.43 -0.69 -0.32 118.68 121.98 1gan s LEU 123 Ca -0.07 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1gan s LEU 123 Cb -0.02 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1gan s LEU 123 CO -0.02 0.07 0.04 -1.61 0.23 0.00 0.00 176.35 175.06 1gan s GLU 124 N -2.45 -0.02 -0.25 1.70 2.02 0.34 -3.95 118.70 116.08 1gan s GLU 124 Ca 0.15 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.34 1gan s GLU 124 Cb -0.08 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.92 1gan s GLU 124 CO 0.07 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1gan n GLY 125 N 4.11 0.43 3.23 -1.39 0.00 -0.42 -0.56 105.19 110.58 1gan n GLY 125 Ca -0.27 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1gan n GLY 125 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gan s LEU 126 N -0.54 2.07 -0.60 0.99 2.96 -1.25 -4.39 118.68 117.92 1gan s LEU 126 Ca 0.00 -0.53 -0.22 0.00 -0.22 0.00 0.00 54.13 53.15 1gan s LEU 126 Cb 0.00 -1.38 0.06 0.00 0.50 0.00 0.00 46.19 45.37 1gan s LEU 126 CO 0.00 0.18 0.89 -1.58 -1.32 0.00 0.00 176.35 174.53 1gan s GLN 127 N 0.18 3.18 0.13 1.98 0.74 -0.21 -4.19 119.66 121.47 1gan s GLN 127 Ca -0.14 -0.69 -0.35 0.00 0.05 0.00 0.00 55.36 54.24 1gan s GLN 127 Cb -0.16 -4.16 -0.16 0.00 1.10 0.00 0.00 33.01 29.63 1gan s GLN 127 CO 0.07 -1.61 1.37 0.34 -0.55 0.00 0.00 175.29 174.91 1gan n PHE 128 N 7.34 1.70 -0.01 1.67 7.35 -1.26 -1.09 117.46 133.17 1gan n PHE 128 Ca -0.03 0.54 -0.01 0.00 -0.76 0.00 0.00 57.45 57.20 1gan n PHE 128 Cb 0.46 -2.38 -0.00 0.00 0.35 0.00 0.00 39.48 37.90 1gan n PHE 128 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1gan n LYS 129 N 2.57 0.03 -3.60 -4.13 0.00 0.12 -4.90 118.16 108.24 1gan n LYS 129 Ca 0.17 0.01 -0.09 0.00 0.00 0.00 0.00 58.31 58.39 1gan n LYS 129 Cb 0.23 -0.90 -0.06 0.00 0.00 0.00 0.00 35.03 34.30 1gan n LYS 129 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1gan s SER 130 N -4.34 -0.37 -0.05 3.14 1.04 -0.89 -4.97 113.70 107.25 1gan s SER 130 Ca -0.01 0.54 0.03 0.00 0.48 0.00 0.00 55.95 56.99 1gan s SER 130 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1gan s SER 130 CO 0.02 -0.25 -0.15 -0.51 0.98 0.00 0.00 173.24 173.34 1gan s ILE 131 N -0.59 1.27 -0.06 -1.02 2.07 -1.26 -1.39 121.20 120.22 1gan s ILE 131 Ca 0.01 -0.61 -0.07 0.00 -1.41 0.00 0.00 60.65 58.57 1gan s ILE 131 Cb -0.02 -1.11 0.02 0.00 0.13 0.00 0.00 42.46 41.47 1gan s ILE 131 CO -0.02 0.37 0.18 0.28 -1.91 0.00 0.00 174.94 173.84 1gan s THR 132 N 0.23 0.01 0.16 4.00 -1.32 -0.79 -4.99 115.64 112.94 1gan s THR 132 Ca -0.07 -0.10 0.09 0.00 -1.21 0.00 0.00 61.69 60.41 1gan s THR 132 Cb -0.12 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1gan s THR 132 CO 0.02 -0.05 -0.21 0.42 -2.21 0.00 0.00 174.62 172.59 1gan s THR 133 N -0.12 1.97 0.00 5.08 -4.23 -1.26 -0.15 115.64 116.93 1gan s THR 133 Ca -0.02 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1gan s THR 133 Cb -0.02 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.94 1gan s THR 133 CO 0.00 -0.19 0.07 -0.62 -0.54 0.00 0.00 174.62 173.35