#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inn n VAL 3 N 0.00 0.03 -3.36 0.44 0.31 -1.26 -5.01 118.33 109.48 2inn n VAL 3 Ca 0.00 -0.01 -0.38 0.00 -0.01 0.00 0.00 64.34 63.94 2inn n VAL 3 Cb 0.00 -0.50 -0.06 0.00 -0.91 0.00 0.00 33.84 32.37 2inn n VAL 3 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2inn s ASN 4 N 0.86 6.87 0.25 4.52 -0.87 -1.26 -4.99 114.94 120.32 2inn s ASN 4 Ca 0.91 1.03 -0.05 0.00 -1.57 0.00 0.00 52.86 53.18 2inn s ASN 4 Cb -1.15 -2.30 -0.02 0.00 -0.02 0.00 0.00 41.25 37.76 2inn s ASN 4 CO 0.56 0.21 0.33 0.00 -2.57 0.00 0.00 177.10 175.63 2inn s ALA 5 N -0.57 0.68 -1.83 0.60 0.00 -1.26 -5.05 121.76 114.33 2inn s ALA 5 Ca 0.26 -1.42 0.16 0.00 0.00 0.00 0.00 51.96 50.96 2inn s ALA 5 Cb -0.17 1.25 0.23 0.00 0.00 0.00 0.00 23.12 24.42 2inn s ALA 5 CO 0.15 -0.72 1.13 -0.11 0.00 0.00 0.00 175.76 176.20 2inn n LEU 6 N -0.39 2.68 0.00 0.00 7.94 -1.26 -4.97 117.00 121.00 2inn n LEU 6 Ca 0.01 -1.32 -0.10 0.00 -1.11 0.00 0.00 56.01 53.49 2inn n LEU 6 Cb 0.63 -0.11 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 2inn n LEU 6 CO 0.29 0.55 -0.04 0.00 -1.11 0.00 0.00 177.39 177.08 2inn n TYR 7 N 0.94 -0.49 -2.44 1.96 4.11 -1.26 -5.08 117.16 114.91 2inn n TYR 7 Ca 0.12 -1.52 -0.41 0.00 -0.00 0.00 0.00 57.90 56.09 2inn n TYR 7 Cb 0.44 0.17 -0.03 0.00 -0.00 0.00 0.00 39.34 39.93 2inn n TYR 7 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2inn s ASP 8 N -2.27 6.05 -0.76 9.48 2.15 -1.26 -4.91 116.67 125.16 2inn s ASP 8 Ca 0.21 -0.08 -0.26 0.00 0.43 0.00 0.00 52.55 52.85 2inn s ASP 8 Cb 0.01 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 2inn s ASP 8 CO 0.15 -1.84 1.51 -0.47 -0.17 0.00 0.00 175.17 174.35 2inn s TYR 9 N 6.22 2.11 -0.13 -5.34 5.04 -1.26 -4.96 117.35 119.03 2inn s TYR 9 Ca 0.45 0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 55.14 2inn s TYR 9 Cb -0.09 -4.45 0.05 0.00 0.35 0.00 0.00 41.96 37.82 2inn s TYR 9 CO 0.20 -2.10 0.29 0.21 -1.34 0.00 0.00 175.55 172.81 2inn s LYS 10 N 6.09 0.24 -0.01 4.97 2.20 -1.26 -5.08 119.74 126.89 2inn s LYS 10 Ca 0.48 0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 56.68 2inn s LYS 10 Cb -0.08 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 2inn s LYS 10 CO 0.12 -0.18 0.07 -0.06 -0.36 0.00 0.00 175.35 174.94 2inn s PHE 11 N 1.47 0.02 0.34 4.03 0.08 -1.26 -5.14 117.98 117.51 2inn s PHE 11 Ca -0.08 -0.04 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 2inn s PHE 11 Cb -0.10 -0.04 -0.11 0.00 -0.57 0.00 0.00 43.02 42.20 2inn s PHE 11 CO -0.10 -0.14 1.45 -1.21 -0.10 0.00 0.00 175.22 175.12 2inn s GLU 12 N -0.66 4.20 0.18 0.44 0.41 -1.26 -4.97 118.70 117.03 2inn s GLU 12 Ca -0.07 2.44 -0.33 0.00 -0.41 0.00 0.00 54.97 56.60 2inn s GLU 12 Cb -0.05 -3.02 -0.12 0.00 -1.78 0.00 0.00 34.13 29.16 2inn s GLU 12 CO 0.00 -0.44 1.70 -0.35 -0.49 0.00 0.00 175.26 175.68 2inn n PRO 13 N 1.00 2.59 0.12 0.39 -0.04 -1.26 -4.86 135.00 132.95 2inn n PRO 13 Ca 0.02 0.94 0.09 0.00 -0.04 0.00 0.00 63.50 64.50 2inn n PRO 13 Cb 0.40 -2.77 0.45 0.00 -0.04 0.00 0.00 33.50 31.54 2inn n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2inn n LYS 14 N 4.03 0.11 -0.02 0.54 5.02 -1.26 -3.47 118.16 123.10 2inn n LYS 14 Ca 0.17 0.60 0.03 0.00 -2.02 0.00 0.00 58.31 57.09 2inn n LYS 14 Cb 0.33 -1.85 0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2inn n LYS 14 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2inn n ASP 15 N -2.08 1.75 0.00 4.39 8.00 -1.26 -4.90 116.55 122.46 2inn n ASP 15 Ca -0.01 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.05 2inn n ASP 15 Cb 0.03 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2inn n ASP 15 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2inn n LYS 16 N 0.25 0.00 -0.22 -1.24 5.02 -1.23 -4.79 118.16 115.96 2inn n LYS 16 Ca 0.04 0.00 0.31 0.00 -2.02 0.00 0.00 58.31 56.64 2inn n LYS 16 Cb 0.20 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 35.94 2inn n LYS 16 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2inn h VAL 17 N 0.00 0.42 0.00 -0.18 3.04 -1.95 0.62 116.25 118.20 2inn h VAL 17 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2inn h VAL 17 Cb 0.00 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.74 2inn h VAL 17 CO 0.00 0.00 0.05 -0.62 -1.01 0.00 0.00 177.57 175.99 2inn n GLU 18 N -4.08 0.12 -0.39 4.17 4.71 -1.26 -0.91 120.64 123.00 2inn n GLU 18 Ca 0.21 0.61 0.11 0.00 -0.01 0.00 0.00 57.16 58.08 2inn n GLU 18 Cb 1.09 -1.94 0.32 0.00 -1.01 0.00 0.00 31.44 29.90 2inn n GLU 18 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2inn n ASN 19 N -2.16 3.92 -0.84 1.62 3.02 0.22 -4.53 115.26 116.50 2inn n ASN 19 Ca -0.01 -2.06 0.08 0.00 -0.03 0.00 0.00 54.58 52.57 2inn n ASN 19 Cb 0.07 -0.49 0.25 0.00 -0.61 0.00 0.00 39.78 39.01 2inn n ASN 19 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2inn n PHE 20 N 1.53 0.88 -3.57 3.10 3.72 -0.08 -4.99 117.46 118.05 2inn n PHE 20 Ca 0.24 -0.90 -0.22 0.00 -0.05 0.00 0.00 57.45 56.52 2inn n PHE 20 Cb 0.64 -0.31 0.05 0.00 -0.94 0.00 0.00 39.48 38.92 2inn n PHE 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2inn n HIS 21 N -0.59 -2.06 -3.41 1.38 8.25 -1.26 -4.70 115.22 112.82 2inn n HIS 21 Ca 0.21 0.77 -0.12 0.00 -0.26 0.00 0.00 57.72 58.33 2inn n HIS 21 Cb 0.88 -4.21 0.00 0.00 1.12 0.00 0.00 29.99 27.78 2inn n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2inn n GLY 22 N -1.47 -1.27 3.42 -1.41 0.00 -1.26 -5.15 105.19 98.05 2inn n GLY 22 Ca -0.20 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 2inn n GLY 22 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2inn s GLN 24 N -3.96 1.22 -0.10 1.61 -2.07 -0.15 -4.39 119.66 111.82 2inn s GLN 24 Ca 0.01 -0.40 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 2inn s GLN 24 Cb -0.00 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.46 2inn s GLN 24 CO 0.82 -0.51 1.08 -0.51 -1.32 0.00 0.00 175.29 174.85 2inn s LEU 25 N -2.54 4.24 -0.08 2.60 1.43 -1.26 -1.09 118.68 121.99 2inn s LEU 25 Ca -0.01 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2inn s LEU 25 Cb -0.01 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2inn s LEU 25 CO -0.10 -0.52 -0.06 -0.22 0.23 0.00 0.00 176.35 175.68 2inn s LEU 26 N 2.22 3.21 -0.09 1.79 2.96 -0.36 0.17 118.68 128.57 2inn s LEU 26 Ca 0.51 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 2inn s LEU 26 Cb -0.20 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2inn s LEU 26 CO 0.18 0.34 0.08 -0.31 -1.32 0.00 0.00 176.35 175.32 2inn s TYR 27 N -0.67 3.39 -0.09 5.38 1.51 -0.70 0.12 117.35 126.28 2inn s TYR 27 Ca 0.10 0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 56.51 2inn s TYR 27 Cb -0.11 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.91 2inn s TYR 27 CO 0.02 0.61 -0.04 0.08 -1.11 0.00 0.00 175.55 175.11 2inn s VAL 28 N -1.00 0.72 -0.24 0.71 1.01 -1.12 -0.83 120.40 119.64 2inn s VAL 28 Ca 0.16 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 2inn s VAL 28 Cb -0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2inn s VAL 28 CO 0.05 0.32 0.58 -0.47 0.00 0.00 0.00 175.10 175.58 2inn s TYR 29 N 1.83 3.30 -0.55 5.22 6.04 -0.34 -1.84 117.35 131.01 2inn s TYR 29 Ca 0.05 0.77 -0.08 0.00 0.04 0.00 0.00 57.07 57.84 2inn s TYR 29 Cb -0.12 -2.78 0.14 0.00 -1.04 0.00 0.00 41.96 38.16 2inn s TYR 29 CO -0.07 -0.27 0.41 -0.46 -1.54 0.00 0.00 175.55 173.62 2inn s TRP 30 N 2.28 3.48 1.10 4.97 -0.00 -1.26 -0.71 118.94 128.79 2inn s TRP 30 Ca 0.25 -2.10 -0.12 0.00 -0.00 0.00 0.00 56.10 54.12 2inn s TRP 30 Cb -0.16 -3.47 0.25 0.00 -0.00 0.00 0.00 33.47 30.10 2inn s TRP 30 CO 0.09 -0.96 1.05 -2.14 -0.00 0.00 0.00 176.95 174.99 2inn s PRO 31 N 0.90 -0.42 -1.56 5.86 0.02 -1.25 -2.99 135.00 135.55 2inn s PRO 31 Ca 0.10 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.03 2inn s PRO 31 Cb -0.23 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2inn s PRO 31 CO -0.03 -3.41 0.00 -0.25 -0.33 0.00 0.00 177.00 172.99 2inn n ASP 32 N -4.70 -4.66 -3.18 2.53 8.00 -1.26 -4.85 116.55 108.43 2inn n ASP 32 Ca 0.05 0.23 -0.20 0.00 0.71 0.00 0.00 54.79 55.57 2inn n ASP 32 Cb 0.54 -4.04 -0.04 0.00 -0.02 0.00 0.00 41.12 37.56 2inn n ASP 32 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2inn n HIS 33 N -2.99 0.43 1.82 1.24 8.25 -1.03 -3.15 115.22 119.80 2inn n HIS 33 Ca -0.18 -3.78 0.08 0.00 -0.26 0.00 0.00 57.72 53.57 2inn n HIS 33 Cb 0.60 -0.41 0.45 0.00 1.12 0.00 0.00 29.99 31.75 2inn n HIS 33 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2inn n LEU 34 N 0.52 0.00 -0.30 2.41 4.77 0.08 -2.24 117.00 122.24 2inn n LEU 34 Ca 0.25 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2inn n LEU 34 Cb 0.60 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.95 2inn n LEU 34 CO 0.22 0.00 0.87 0.25 -1.33 0.00 0.00 177.39 177.39 2inn h LEU 35 N 0.00 -0.25 -8.44 2.23 5.85 -0.60 -3.18 115.31 110.92 2inn h LEU 35 Ca 0.00 0.22 -0.58 0.00 0.84 0.00 0.00 57.88 58.36 2inn h LEU 35 Cb 0.00 0.36 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 2inn h LEU 35 CO 0.00 -0.23 0.80 -0.36 -0.34 0.00 0.00 178.44 178.31 2inn s PHE 36 N -6.00 2.59 0.60 1.25 0.40 -0.95 -4.95 117.98 110.91 2inn s PHE 36 Ca -0.13 0.00 0.29 0.00 -0.60 0.00 0.00 56.93 56.49 2inn s PHE 36 Cb 0.26 -4.37 1.51 0.00 0.51 0.00 0.00 43.02 40.92 2inn s PHE 36 CO 0.77 -1.65 1.91 0.00 0.70 0.00 0.00 175.22 176.95 2inn s ALA 38 N -4.54 -0.24 0.48 0.00 0.00 -1.26 -5.02 121.76 111.17 2inn s ALA 38 Ca -0.04 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 2inn s ALA 38 Cb 0.14 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 24.06 2inn s ALA 38 CO 0.51 -0.70 1.42 -2.14 0.00 0.00 0.00 175.76 174.85 2inn s PRO 39 N -3.95 3.53 0.63 0.00 0.02 -1.26 -4.96 135.00 129.02 2inn s PRO 39 Ca 0.15 2.40 -0.18 0.00 0.02 0.00 0.00 61.00 63.40 2inn s PRO 39 Cb 0.02 -2.55 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 2inn s PRO 39 CO -0.00 -0.94 1.11 1.19 -0.33 0.00 0.00 177.00 178.03 2inn n PHE 40 N -0.42 1.31 -3.76 6.54 0.99 -0.77 -4.83 117.46 116.53 2inn n PHE 40 Ca 0.06 0.42 -0.38 0.00 -0.00 0.00 0.00 57.45 57.56 2inn n PHE 40 Cb 0.42 -2.19 -0.12 0.00 -1.00 0.00 0.00 39.48 36.59 2inn n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2inn s ALA 41 N -1.47 3.05 0.08 4.37 0.00 -1.26 -2.81 121.76 123.71 2inn s ALA 41 Ca 0.79 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2inn s ALA 41 Cb -0.39 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2inn s ALA 41 CO 0.44 -1.37 0.14 -0.51 0.00 0.00 0.00 175.76 174.46 2inn s LEU 42 N 1.38 4.05 -0.31 0.00 1.43 0.12 -5.00 118.68 120.35 2inn s LEU 42 Ca -0.01 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.12 2inn s LEU 42 Cb -0.20 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2inn s LEU 42 CO 0.02 0.16 0.09 -0.22 0.23 0.00 0.00 176.35 176.63 2inn s LEU 43 N -2.53 4.02 0.23 1.79 2.96 -1.26 -1.22 118.68 122.66 2inn s LEU 43 Ca 0.32 -0.88 0.10 0.00 -0.22 0.00 0.00 54.13 53.45 2inn s LEU 43 Cb -0.12 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 2inn s LEU 43 CO 0.25 -0.24 -0.18 0.68 -1.32 0.00 0.00 176.35 175.53 2inn s VAL 44 N 1.46 2.08 -0.00 1.68 -7.23 -0.25 -4.94 120.40 113.21 2inn s VAL 44 Ca 0.01 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 57.66 2inn s VAL 44 Cb -0.18 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2inn s VAL 44 CO 0.02 -0.44 1.10 -1.10 -0.31 0.00 0.00 175.10 174.38 2inn s GLN 45 N -3.37 4.46 0.28 4.82 -0.21 -1.26 -0.98 119.66 123.40 2inn s GLN 45 Ca 0.24 1.58 -0.03 0.00 0.02 0.00 0.00 55.36 57.17 2inn s GLN 45 Cb -0.04 -3.45 0.37 0.00 1.00 0.00 0.00 33.01 30.90 2inn s GLN 45 CO 0.10 -0.22 1.94 -1.35 -2.12 0.00 0.00 175.29 173.64 2inn h PRO 46 N 6.95 1.18 -6.00 2.91 0.11 -1.95 -3.45 132.00 131.76 2inn h PRO 46 Ca -0.39 -0.07 -0.59 0.00 0.11 0.00 0.00 66.00 65.06 2inn h PRO 46 Cb 1.20 -0.27 -0.09 0.00 0.11 0.00 0.00 31.00 31.95 2inn h PRO 46 CO 0.81 0.78 1.61 0.20 -0.21 0.00 0.00 178.00 181.19 2inn s GLY 47 N -3.23 1.25 0.21 -0.55 0.00 -1.26 -1.73 107.32 102.01 2inn s GLY 47 Ca -0.12 -2.37 0.10 0.00 0.00 0.00 0.00 44.72 42.33 2inn s GLY 47 CO 0.81 2.78 -0.16 -0.51 0.00 0.00 0.00 173.10 176.01 2inn s THR 49 N 5.31 2.77 0.17 0.90 -4.23 -1.26 -4.81 115.64 114.49 2inn s THR 49 Ca 0.50 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 2inn s THR 49 Cb 0.01 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.51 2inn s THR 49 CO -0.04 -0.19 1.78 0.15 -0.54 0.00 0.00 174.62 175.78 2inn h PHE 50 N 2.81 0.40 -0.98 3.99 3.04 -1.27 -0.94 116.94 123.99 2inn h PHE 50 Ca -0.45 0.02 0.30 0.00 3.98 0.00 0.00 57.97 61.81 2inn h PHE 50 Cb 1.22 -0.12 -0.14 0.00 2.56 0.00 0.00 35.95 39.47 2inn h PHE 50 CO 0.70 0.20 0.51 0.77 -2.02 0.00 0.00 178.31 178.47 2inn h SER 51 N 0.44 0.45 -0.08 0.41 0.02 -1.39 -1.73 113.55 111.67 2inn h SER 51 Ca 0.19 0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 61.22 2inn h SER 51 Cb 0.10 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2inn h SER 51 CO -0.13 -0.10 -0.35 0.00 -1.14 0.00 0.00 176.83 175.11 2inn h ALA 52 N 1.82 0.15 -0.87 3.77 0.00 -1.45 -1.28 119.26 121.40 2inn h ALA 52 Ca 0.69 -0.45 0.15 0.00 0.00 0.00 0.00 54.91 55.30 2inn h ALA 52 Cb 1.51 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 2inn h ALA 52 CO -0.60 0.22 -0.33 1.25 0.00 0.00 0.00 179.25 179.79 2inn h LEU 53 N -0.10 -1.20 0.28 0.00 5.85 -1.29 1.03 115.31 119.88 2inn h LEU 53 Ca -0.02 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2inn h LEU 53 Cb 0.99 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.68 2inn h LEU 53 CO 0.07 -0.29 -0.13 0.58 -0.34 0.00 0.00 178.44 178.32 2inn h VAL 54 N -0.04 0.76 -0.11 1.05 2.07 -1.02 -0.99 116.25 117.96 2inn h VAL 54 Ca 0.34 -0.21 -0.21 0.00 0.82 0.00 0.00 66.70 67.44 2inn h VAL 54 Cb 0.60 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2inn h VAL 54 CO -0.89 0.05 -0.78 0.44 0.02 0.00 0.00 177.57 176.40 2inn h ASP 55 N -0.48 0.77 0.23 0.57 3.32 -0.16 -0.50 116.42 120.16 2inn h ASP 55 Ca -0.04 -0.51 -0.17 0.00 0.02 0.00 0.00 57.03 56.33 2inn h ASP 55 Cb 0.36 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2inn h ASP 55 CO 0.06 1.29 -1.94 -0.62 -1.72 0.00 0.00 179.24 176.31 2inn n GLU 56 N -3.89 0.66 0.02 3.56 1.02 0.35 -4.37 120.64 117.98 2inn n GLU 56 Ca -0.06 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.05 2inn n GLU 56 Cb 0.74 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2inn n GLU 56 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2inn n ILE 57 N -2.61 0.96 -0.23 -3.67 2.08 -0.89 -4.71 119.36 110.29 2inn n ILE 57 Ca -0.15 0.29 -0.08 0.00 0.56 0.00 0.00 62.75 63.37 2inn n ILE 57 Cb 0.84 -1.56 0.03 0.00 -0.75 0.00 0.00 39.64 38.21 2inn n ILE 57 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2inn h LEU 58 N -0.12 0.94 0.08 1.39 5.85 -1.02 0.67 115.31 123.10 2inn h LEU 58 Ca 0.00 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2inn h LEU 58 Cb 0.12 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2inn h LEU 58 CO 0.00 0.90 -0.25 0.11 -0.34 0.00 0.00 178.44 178.86 2inn h LYS 59 N 0.93 -0.42 -0.66 1.25 6.56 -1.29 -1.18 116.57 121.76 2inn h LYS 59 Ca 0.21 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.90 2inn h LYS 59 Cb 0.31 0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 32.00 2inn h LYS 59 CO -0.00 -0.28 0.33 -1.35 -2.06 0.00 0.00 179.45 176.08 2inn h PRO 60 N -0.44 0.57 0.00 3.15 0.11 -1.74 -0.18 132.00 133.47 2inn h PRO 60 Ca 0.04 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2inn h PRO 60 Cb 0.48 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 2inn h PRO 60 CO -0.17 0.38 -0.13 0.00 -0.21 0.00 0.00 178.00 177.86 2inn h ALA 61 N 1.38 1.10 -0.02 -0.75 0.00 0.01 -1.77 119.26 119.21 2inn h ALA 61 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2inn h ALA 61 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2inn h ALA 61 CO -0.24 0.17 -0.19 0.25 0.00 0.00 0.00 179.25 179.24 2inn n THR 62 N -3.39 0.00 -0.32 0.00 -2.24 -0.53 -4.65 114.28 103.15 2inn n THR 62 Ca -0.01 -0.40 0.16 0.00 -2.27 0.00 0.00 64.05 61.53 2inn n THR 62 Cb 0.32 1.36 0.35 0.00 -2.10 0.00 0.00 70.33 70.26 2inn n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2inn h ALA 63 N 3.95 1.56 0.00 6.98 0.00 -0.10 -1.48 119.26 130.17 2inn h ALA 63 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2inn h ALA 63 Cb 0.81 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2inn h ALA 63 CO 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.86 2inn h ALA 64 N 1.75 1.00 -2.48 0.00 0.00 -1.83 -3.42 119.26 114.28 2inn h ALA 64 Ca 0.61 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.97 2inn h ALA 64 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2inn h ALA 64 CO -0.56 0.00 0.30 -1.58 0.00 0.00 0.00 179.25 177.41 2inn s HIS 65 N -3.83 3.64 -1.41 0.00 5.04 -0.56 -4.97 115.29 113.22 2inn s HIS 65 Ca -0.02 1.59 0.09 0.00 -1.54 0.00 0.00 55.06 55.18 2inn s HIS 65 Cb 0.10 -3.04 0.46 0.00 0.04 0.00 0.00 32.58 30.15 2inn s HIS 65 CO 0.42 0.02 1.18 -0.35 -2.34 0.00 0.00 174.74 173.67 2inn n PRO 66 N 3.86 0.12 0.14 2.88 -0.04 -1.26 -1.04 135.00 139.66 2inn n PRO 66 Ca 0.04 0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 2inn n PRO 66 Cb 0.51 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2inn n PRO 66 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2inn h ASP 67 N 0.00 0.00 -0.77 3.54 3.32 -1.93 -3.41 116.42 117.17 2inn h ASP 67 Ca 0.00 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.23 2inn h ASP 67 Cb 0.09 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.51 2inn h ASP 67 CO 0.00 0.47 0.08 -1.28 -1.72 0.00 0.00 179.24 176.79 2inn h SER 68 N 0.00 -0.22 -0.49 6.45 0.87 -1.33 -2.67 113.55 116.16 2inn h SER 68 Ca -0.01 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2inn h SER 68 Cb 1.37 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.60 2inn h SER 68 CO 0.06 -0.15 0.29 0.00 -0.53 0.00 0.00 176.83 176.50 2inn h ALA 69 N 1.70 0.63 -0.87 6.23 0.00 -1.80 -2.77 119.26 122.38 2inn h ALA 69 Ca 0.43 -0.07 -0.43 0.00 0.00 0.00 0.00 54.91 54.84 2inn h ALA 69 Cb 0.78 -0.20 -0.26 0.00 0.00 0.00 0.00 17.79 18.12 2inn h ALA 69 CO -0.63 0.13 0.55 0.36 0.00 0.00 0.00 179.25 179.66 2inn n LYS 70 N -4.69 2.32 -3.79 0.00 2.85 -1.02 -4.93 118.16 108.90 2inn n LYS 70 Ca 0.02 -2.72 -0.22 0.00 -1.05 0.00 0.00 58.31 54.34 2inn n LYS 70 Cb 0.06 -2.07 -0.02 0.00 -0.65 0.00 0.00 35.03 32.35 2inn n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2inn s ALA 71 N -2.94 3.86 -0.59 0.58 0.00 -1.05 -5.02 121.76 116.61 2inn s ALA 71 Ca 0.51 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.40 2inn s ALA 71 Cb 0.43 -1.85 0.17 0.00 0.00 0.00 0.00 23.12 21.86 2inn s ALA 71 CO 0.10 0.18 0.43 0.34 0.00 0.00 0.00 175.76 176.82 2inn s ASP 72 N -3.93 3.45 0.17 0.00 2.15 -1.26 -4.95 116.67 112.30 2inn s ASP 72 Ca 0.36 -3.54 -0.14 0.00 0.43 0.00 0.00 52.55 49.66 2inn s ASP 72 Cb -0.09 -1.15 0.10 0.00 -0.30 0.00 0.00 42.92 41.48 2inn s ASP 72 CO 0.31 -0.12 1.81 -0.26 -0.17 0.00 0.00 175.17 176.74 2inn h PHE 73 N 5.49 0.54 -0.67 -5.34 0.04 -1.95 -1.21 116.94 113.84 2inn h PHE 73 Ca 0.20 0.02 0.20 0.00 2.80 0.00 0.00 57.97 61.18 2inn h PHE 73 Cb 0.82 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 2inn h PHE 73 CO 0.52 0.30 0.50 1.25 -0.60 0.00 0.00 178.31 180.27 2inn h LEU 74 N 0.58 0.00 -3.30 1.54 6.46 -1.98 -1.33 115.31 117.28 2inn h LEU 74 Ca 0.20 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.85 2inn h LEU 74 Cb 0.04 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 39.90 2inn h LEU 74 CO -0.10 0.00 -0.05 0.59 -0.62 0.00 0.00 178.44 178.25 2inn n ASN 75 N -4.28 2.87 -4.92 1.25 3.02 -0.48 -4.91 115.26 107.81 2inn n ASN 75 Ca 0.13 -3.51 -0.26 0.00 -0.03 0.00 0.00 54.58 50.91 2inn n ASN 75 Cb 0.76 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2inn n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2inn s ALA 76 N -3.10 4.49 -0.15 5.41 0.00 -0.50 -5.00 121.76 122.90 2inn s ALA 76 Ca 0.43 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 2inn s ALA 76 Cb 0.38 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2inn s ALA 76 CO 0.03 -0.49 1.12 -1.21 0.00 0.00 0.00 175.76 175.21 2inn s GLU 77 N -4.32 4.30 0.09 0.00 2.02 -0.45 -4.89 118.70 115.46 2inn s GLU 77 Ca 0.35 1.50 0.08 0.00 0.02 0.00 0.00 54.97 56.92 2inn s GLU 77 Cb -0.03 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 2inn s GLU 77 CO 0.22 -0.55 -0.18 -1.58 0.02 0.00 0.00 175.26 173.19 2inn s TRP 78 N 2.85 2.55 0.06 1.61 0.52 -1.26 -0.02 118.94 125.24 2inn s TRP 78 Ca 0.50 -0.26 0.10 0.00 0.02 0.00 0.00 56.10 56.46 2inn s TRP 78 Cb -0.19 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 2inn s TRP 78 CO 0.14 0.34 -0.27 -0.51 0.02 0.00 0.00 176.95 176.67 2inn s LEU 79 N -1.91 2.19 -0.21 2.99 1.02 -1.07 -1.72 118.68 119.96 2inn s LEU 79 Ca 0.17 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.70 2inn s LEU 79 Cb -0.11 -1.28 0.02 0.00 0.02 0.00 0.00 46.19 44.85 2inn s LEU 79 CO 0.09 0.25 -0.14 -0.22 0.02 0.00 0.00 176.35 176.34 2inn s LEU 80 N -1.37 2.61 -1.10 1.79 1.98 0.15 -1.76 118.68 120.98 2inn s LEU 80 Ca 0.12 -0.75 -0.23 0.00 -2.89 0.00 0.00 54.13 50.38 2inn s LEU 80 Cb -0.10 -1.56 0.02 0.00 0.66 0.00 0.00 46.19 45.21 2inn s LEU 80 CO 0.03 -0.05 0.71 0.59 -1.89 0.00 0.00 176.35 175.73 2inn n ASN 81 N 4.63 -4.85 0.00 3.68 3.02 -1.26 -0.91 115.26 119.57 2inn n ASN 81 Ca -0.19 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2inn n ASN 81 Cb 0.49 -2.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 2inn n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2inn n ASP 82 N -2.39 -5.09 -4.48 6.41 8.00 -1.26 -4.95 116.55 112.79 2inn n ASP 82 Ca -0.14 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.06 2inn n ASP 82 Cb 0.59 -3.25 -0.12 0.00 -0.02 0.00 0.00 41.12 38.32 2inn n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2inn s GLU 83 N -1.79 2.00 0.39 -1.24 0.41 -0.09 -5.05 118.70 113.34 2inn s GLU 83 Ca 0.00 -1.04 -0.26 0.00 -0.41 0.00 0.00 54.97 53.26 2inn s GLU 83 Cb 0.00 -2.18 -0.09 0.00 -1.78 0.00 0.00 34.13 30.08 2inn s GLU 83 CO 0.00 0.52 1.30 -2.14 -0.49 0.00 0.00 175.26 174.45 2inn s PRO 84 N -1.71 4.03 -0.02 0.39 0.02 -1.26 0.33 135.00 136.78 2inn s PRO 84 Ca 0.16 2.16 -0.17 0.00 0.02 0.00 0.00 61.00 63.18 2inn s PRO 84 Cb -0.11 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.64 2inn s PRO 84 CO 0.07 -0.44 0.35 0.12 -0.33 0.00 0.00 177.00 176.78 2inn s PHE 85 N -1.25 -0.24 -0.24 6.54 5.36 -0.70 -4.66 117.98 122.80 2inn s PHE 85 Ca 0.56 0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 2inn s PHE 85 Cb -0.38 0.13 0.06 0.00 -0.34 0.00 0.00 43.02 42.49 2inn s PHE 85 CO 0.49 -0.41 -0.06 0.99 -1.46 0.00 0.00 175.22 174.78 2inn s THR 86 N -1.28 1.61 0.28 0.12 2.01 -1.26 -4.27 115.64 112.84 2inn s THR 86 Ca -0.13 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 60.29 2inn s THR 86 Cb -0.05 -1.86 -0.10 0.00 0.01 0.00 0.00 72.50 70.50 2inn s THR 86 CO 0.05 -0.10 1.38 -2.84 -0.69 0.00 0.00 174.62 172.41 2inn s PRO 87 N 1.36 4.31 -0.29 4.92 0.02 -1.26 -4.98 135.00 139.07 2inn s PRO 87 Ca -0.06 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 2inn s PRO 87 Cb -0.19 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2inn s PRO 87 CO -0.06 -0.32 0.18 0.15 -0.33 0.00 0.00 177.00 176.62 2inn s LYS 88 N -0.92 3.76 0.42 5.54 1.02 -1.26 -4.97 119.74 123.33 2inn s LYS 88 Ca 0.55 -0.44 0.20 0.00 0.02 0.00 0.00 55.97 56.29 2inn s LYS 88 Cb -0.41 -3.62 1.13 0.00 -0.52 0.00 0.00 37.83 34.42 2inn s LYS 88 CO 0.47 -0.25 1.82 0.00 -0.92 0.00 0.00 175.35 176.46 2inn h ALA 89 N 8.37 2.30 0.00 5.17 0.00 -1.95 -2.98 119.26 130.17 2inn h ALA 89 Ca -0.35 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2inn h ALA 89 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2inn h ALA 89 CO 0.58 -0.63 -0.58 -0.25 0.00 0.00 0.00 179.25 178.36 2inn n ASP 90 N -4.53 0.58 -4.75 0.00 8.00 -1.26 -1.10 116.55 113.49 2inn n ASP 90 Ca 0.22 -0.78 -0.35 0.00 0.71 0.00 0.00 54.79 54.59 2inn n ASP 90 Cb 0.82 1.01 0.04 0.00 -0.02 0.00 0.00 41.12 42.97 2inn n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2inn s ALA 91 N -2.14 2.47 0.53 2.24 0.00 -1.12 -4.79 121.76 118.94 2inn s ALA 91 Ca 0.04 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 2inn s ALA 91 Cb 0.09 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2inn s ALA 91 CO 0.49 -1.27 1.29 -1.54 0.00 0.00 0.00 175.76 174.74 2inn s SER 92 N -1.80 5.50 0.20 0.00 1.04 -1.26 -2.29 113.70 115.09 2inn s SER 92 Ca 0.75 2.61 -0.17 0.00 0.48 0.00 0.00 55.95 59.62 2inn s SER 92 Cb -0.28 -2.62 0.17 0.00 0.10 0.00 0.00 66.02 63.39 2inn s SER 92 CO 0.36 -1.40 1.61 -0.07 0.98 0.00 0.00 173.24 174.72 2inn h LEU 93 N 1.57 -0.81 -1.51 2.42 4.07 -1.81 -2.66 115.31 116.58 2inn h LEU 93 Ca -0.50 0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2inn h LEU 93 Cb 1.29 0.45 -0.02 0.00 1.08 0.00 0.00 40.66 43.46 2inn h LEU 93 CO 0.58 -0.25 0.33 0.50 -1.08 0.00 0.00 178.44 178.51 2inn h LYS 94 N -0.09 0.66 0.00 1.13 1.63 -1.48 -2.41 116.57 116.01 2inn h LYS 94 Ca 0.26 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 2inn h LYS 94 Cb 0.50 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2inn h LYS 94 CO -0.63 0.44 0.00 1.49 -3.45 0.00 0.00 179.45 177.29 2inn h GLU 95 N 0.68 0.00 -0.04 1.90 4.81 -1.74 -2.51 114.58 117.68 2inn h GLU 95 Ca 0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2inn h GLU 95 Cb -0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2inn h GLU 95 CO -0.04 0.00 -0.26 0.00 -0.73 0.00 0.00 179.01 177.98 2inn n GLN 96 N -2.43 1.56 -0.28 1.92 10.64 -0.94 -4.95 117.38 122.89 2inn n GLN 96 Ca 0.02 -3.01 0.00 0.00 -1.83 0.00 0.00 57.00 52.18 2inn n GLN 96 Cb 0.26 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 2inn n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2inn n GLY 97 N -1.21 1.03 3.58 2.61 0.00 -0.95 -4.98 105.19 105.27 2inn n GLY 97 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2inn n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2inn s ILE 98 N -2.77 3.52 0.21 -0.61 1.01 -1.00 -4.94 121.20 116.62 2inn s ILE 98 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2inn s ILE 98 Cb 0.00 -4.46 0.04 0.00 0.01 0.00 0.00 42.46 38.05 2inn s ILE 98 CO 0.00 -0.97 0.29 -0.90 0.00 0.00 0.00 174.94 173.36 2inn n ASP 99 N 14.42 0.50 -4.68 3.58 5.68 -1.26 -4.08 116.55 130.72 2inn n ASP 99 Ca 0.44 -1.40 -0.42 0.00 -0.50 0.00 0.00 54.79 52.91 2inn n ASP 99 Cb 0.47 -0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 40.24 2inn n ASP 99 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2inn s HIS 100 N -0.56 2.16 0.00 2.11 5.65 -1.26 -1.71 115.29 121.69 2inn s HIS 100 Ca 0.20 0.22 0.00 0.00 0.25 0.00 0.00 55.06 55.73 2inn s HIS 100 Cb -0.01 -3.96 0.00 0.00 -1.18 0.00 0.00 32.58 27.43 2inn s HIS 100 CO 0.13 -3.97 0.00 1.63 -0.65 0.00 0.00 174.74 171.88 2inn n LYS 101 N 6.34 0.00 0.00 2.88 5.02 0.44 -4.91 118.16 127.93 2inn n LYS 101 Ca 0.17 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2inn n LYS 101 Cb 0.42 -3.31 0.00 0.00 -0.02 0.00 0.00 35.03 32.12 2inn n LYS 101 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2inn n SER 102 N 0.96 0.00 -3.85 4.39 7.64 -0.69 -4.79 113.62 117.28 2inn n SER 102 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2inn n SER 102 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2inn n SER 102 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2inn s LEU 104 N 0.00 1.73 -0.15 -3.43 1.43 -0.01 -1.72 118.68 116.53 2inn s LEU 104 Ca 0.00 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2inn s LEU 104 Cb 0.00 0.26 -0.02 0.00 0.03 0.00 0.00 46.19 46.46 2inn s LEU 104 CO 0.00 -0.04 -0.06 -0.89 0.23 0.00 0.00 176.35 175.59 2inn s THR 105 N -0.05 3.71 -0.25 5.49 2.01 -0.72 -1.20 115.64 124.63 2inn s THR 105 Ca -0.01 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2inn s THR 105 Cb -0.01 -2.61 0.07 0.00 0.01 0.00 0.00 72.50 69.96 2inn s THR 105 CO 0.00 0.50 -0.01 0.54 -0.69 0.00 0.00 174.62 174.96 2inn s VAL 106 N 0.35 1.37 -0.25 3.82 0.11 0.11 -2.61 120.40 123.31 2inn s VAL 106 Ca -0.06 -1.27 -0.18 0.00 -2.93 0.00 0.00 61.98 57.55 2inn s VAL 106 Cb -0.15 -1.76 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 2inn s VAL 106 CO 0.04 -0.25 0.53 -0.89 -3.33 0.00 0.00 175.10 171.20 2inn s THR 107 N 1.44 5.07 -0.16 5.04 2.01 0.98 -3.88 115.64 126.14 2inn s THR 107 Ca -0.01 0.92 -0.19 0.00 0.31 0.00 0.00 61.69 62.71 2inn s THR 107 Cb -0.18 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2inn s THR 107 CO -0.09 0.10 0.55 0.42 -0.69 0.00 0.00 174.62 174.90 2inn s THR 108 N 2.20 5.11 -0.06 -0.82 -4.23 -1.26 -1.35 115.64 115.23 2inn s THR 108 Ca 0.22 1.05 -0.29 0.00 -1.18 0.00 0.00 61.69 61.49 2inn s THR 108 Cb -0.16 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 69.79 2inn s THR 108 CO 0.09 0.21 0.96 -2.84 -0.54 0.00 0.00 174.62 172.51 2inn s PRO 109 N 1.31 4.48 0.00 3.99 0.02 -1.26 -3.70 135.00 139.84 2inn s PRO 109 Ca 0.27 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.63 2inn s PRO 109 Cb -0.16 -3.50 0.00 0.00 0.02 0.00 0.00 34.50 30.86 2inn s PRO 109 CO 0.11 -0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 2inn n GLY 110 N 3.03 0.82 3.06 0.52 0.00 -1.26 -5.00 105.19 106.36 2inn n GLY 110 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2inn n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2inn s LEU 111 N 0.00 3.72 -0.21 0.99 1.43 -1.24 -4.99 118.68 118.38 2inn s LEU 111 Ca 0.00 -1.55 0.12 0.00 -1.03 0.00 0.00 54.13 51.68 2inn s LEU 111 Cb 0.00 -1.57 0.43 0.00 0.03 0.00 0.00 46.19 45.08 2inn s LEU 111 CO 0.00 -0.23 1.20 0.29 0.23 0.00 0.00 176.35 177.84 2inn n LYS 112 N 4.40 1.94 0.00 1.70 4.76 -1.26 -4.70 118.16 124.99 2inn n LYS 112 Ca -0.10 -3.40 0.00 0.00 -2.87 0.00 0.00 58.31 51.94 2inn n LYS 112 Cb 0.42 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2inn n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2inn n GLY 113 N -0.83 1.01 0.00 0.72 0.00 -1.19 -3.67 105.19 101.24 2inn n GLY 113 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2inn n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2inn n ALA 115 N 5.78 0.00 -2.53 4.61 0.00 -1.26 -4.75 120.51 122.36 2inn n ALA 115 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2inn n ALA 115 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2inn n ALA 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2inn n ASN 116 N 0.00 3.83 0.00 0.00 3.02 -1.26 -4.75 115.26 116.10 2inn n ASN 116 Ca 0.00 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 2inn n ASN 116 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2inn n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2inn n ALA 117 N -0.37 1.66 -2.61 5.41 0.00 -1.26 -5.04 120.51 118.30 2inn n ALA 117 Ca 0.31 -0.80 -0.19 0.00 0.00 0.00 0.00 53.44 52.76 2inn n ALA 117 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2inn n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2inn n GLY 118 N -0.31 -0.50 0.86 0.00 0.00 -1.24 -4.89 105.19 99.10 2inn n GLY 118 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2inn n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30