#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg2 s ASP 8 N 0.00 6.57 0.45 3.42 3.68 -1.26 -4.95 116.67 124.58 1mg2 s ASP 8 Ca 0.00 0.48 0.19 0.00 2.13 0.00 0.00 52.55 55.35 1mg2 s ASP 8 Cb 0.00 -2.38 1.05 0.00 -1.45 0.00 0.00 42.92 40.14 1mg2 s ASP 8 CO 0.00 -0.61 1.95 1.55 0.13 0.00 0.00 175.17 178.18 1mg2 h PRO 9 N 8.26 0.00 0.00 4.34 0.13 -2.05 -2.94 132.00 139.74 1mg2 h PRO 9 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1mg2 h PRO 9 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mg2 h PRO 9 CO 0.87 0.23 -0.50 0.54 -0.23 0.00 0.00 178.00 178.91 1mg2 n ARG 10 N -3.92 0.07 -1.65 0.86 1.74 -1.26 -4.93 116.66 107.57 1mg2 n ARG 10 Ca -0.02 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1mg2 n ARG 10 Cb 0.32 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1mg2 n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mg2 s ALA 11 N -3.04 2.35 0.41 7.54 0.00 -1.11 -4.94 121.76 122.96 1mg2 s ALA 11 Ca 0.10 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1mg2 s ALA 11 Cb 0.17 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 1mg2 s ALA 11 CO 0.69 -1.48 1.21 1.17 0.00 0.00 0.00 175.76 177.35 1mg2 n LYS 12 N -2.51 1.79 -2.17 0.00 4.81 -1.26 -4.89 118.16 113.93 1mg2 n LYS 12 Ca 0.11 0.64 -0.42 0.00 -0.87 0.00 0.00 58.31 57.77 1mg2 n LYS 12 Cb 0.51 -2.29 -0.03 0.00 0.02 0.00 0.00 35.03 33.25 1mg2 n LYS 12 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1mg2 s TRP 13 N -1.20 3.24 -0.35 5.64 -0.00 -1.26 -5.00 118.94 120.02 1mg2 s TRP 13 Ca 0.61 0.95 0.02 0.00 -0.00 0.00 0.00 56.10 57.68 1mg2 s TRP 13 Cb -0.53 -3.69 0.09 0.00 -0.00 0.00 0.00 33.47 29.35 1mg2 s TRP 13 CO 0.58 -2.40 0.07 0.08 -0.00 0.00 0.00 176.95 175.28 1mg2 s VAL 14 N 1.09 2.60 0.49 5.86 1.01 -1.26 -5.11 120.40 125.07 1mg2 s VAL 14 Ca 0.65 -2.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.30 1mg2 s VAL 14 Cb -0.37 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1mg2 s VAL 14 CO 0.30 -0.52 1.11 -2.16 0.00 0.00 0.00 175.10 173.83 1mg2 s PRO 15 N 1.02 3.67 0.15 2.72 0.04 -1.26 -4.89 135.00 136.44 1mg2 s PRO 15 Ca 0.07 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1mg2 s PRO 15 Cb -0.20 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1mg2 s PRO 15 CO -0.06 -0.58 -0.09 1.14 0.04 0.00 0.00 177.00 177.45 1mg2 s GLN 16 N -3.02 1.05 -0.33 4.56 1.03 -0.17 -4.84 119.66 117.95 1mg2 s GLN 16 Ca 0.67 -1.45 0.13 0.00 0.04 0.00 0.00 55.36 54.74 1mg2 s GLN 16 Cb -0.23 -0.56 0.46 0.00 0.03 0.00 0.00 33.01 32.71 1mg2 s GLN 16 CO 0.27 0.05 1.10 -3.47 -2.54 0.00 0.00 175.29 170.70 1mg2 n ASP 17 N -0.19 3.33 0.00 12.60 2.03 -1.26 -0.43 116.55 132.63 1mg2 n ASP 17 Ca -0.10 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1mg2 n ASP 17 Cb 0.61 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1mg2 n ASP 17 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1mg2 n ASN 18 N -0.48 0.32 -3.15 1.67 0.23 -1.26 -5.03 115.26 107.55 1mg2 n ASN 18 Ca 0.26 -1.01 0.04 0.00 -0.53 0.00 0.00 54.58 53.34 1mg2 n ASN 18 Cb 0.81 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.50 1mg2 n ASN 18 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1mg2 s ASP 19 N -0.01 -1.40 0.00 0.53 -1.08 -1.26 -5.03 116.67 108.42 1mg2 s ASP 19 Ca 0.00 0.78 0.26 0.00 -0.52 0.00 0.00 52.55 53.08 1mg2 s ASP 19 Cb 0.00 2.14 1.26 0.00 -1.46 0.00 0.00 42.92 44.86 1mg2 s ASP 19 CO 0.00 -0.27 1.88 2.30 0.52 0.00 0.00 175.17 179.60 1mg2 n ILE 20 N 5.43 0.17 1.31 4.11 -5.35 -1.26 -3.08 119.36 120.69 1mg2 n ILE 20 Ca -0.00 0.04 0.13 0.00 -0.27 0.00 0.00 62.75 62.65 1mg2 n ILE 20 Cb 0.51 -0.60 0.36 0.00 -1.74 0.00 0.00 39.64 38.18 1mg2 n ILE 20 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mg2 n GLN 21 N -1.36 1.77 -3.87 6.28 6.02 -1.26 -4.86 117.38 120.09 1mg2 n GLN 21 Ca 0.10 -1.21 -0.35 0.00 -0.01 0.00 0.00 57.00 55.53 1mg2 n GLN 21 Cb 0.25 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 1mg2 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mg2 s ALA 22 N -2.07 3.90 -0.31 -1.58 0.00 -1.18 -4.97 121.76 115.57 1mg2 s ALA 22 Ca 0.33 -0.67 0.21 0.00 0.00 0.00 0.00 51.96 51.83 1mg2 s ALA 22 Cb 0.20 -1.96 1.07 0.00 0.00 0.00 0.00 23.12 22.44 1mg2 s ALA 22 CO 0.35 0.67 1.65 0.00 0.00 0.00 0.00 175.76 178.43 1mg2 n ASP 24 N -2.22 4.11 -4.73 0.00 5.75 -1.26 -4.84 116.55 113.36 1mg2 n ASP 24 Ca -0.00 -2.29 -0.42 0.00 -0.01 0.00 0.00 54.79 52.07 1mg2 n ASP 24 Cb 0.08 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 1mg2 n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1mg2 s TYR 25 N -1.63 3.03 0.37 2.11 5.04 -0.75 -1.00 117.35 124.53 1mg2 s TYR 25 Ca 0.46 0.85 0.14 0.00 -2.44 0.00 0.00 57.07 56.08 1mg2 s TYR 25 Cb 0.28 -3.87 0.99 0.00 0.35 0.00 0.00 41.96 39.70 1mg2 s TYR 25 CO 0.24 -3.01 1.78 0.11 -1.34 0.00 0.00 175.55 173.34 1mg2 h TRP 26 N 5.82 0.77 0.00 4.97 5.08 -1.07 -0.84 115.95 130.68 1mg2 h TRP 26 Ca -0.44 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1mg2 h TRP 26 Cb 1.21 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 1mg2 h TRP 26 CO 0.62 0.12 0.00 0.54 -1.28 0.00 0.00 178.44 178.44 1mg2 n ARG 27 N -4.66 0.04 -0.69 0.12 1.74 -1.26 -2.88 116.66 109.07 1mg2 n ARG 27 Ca 0.24 0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.51 1mg2 n ARG 27 Cb 0.75 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 31.01 1mg2 n ARG 27 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1mg2 n HIS 28 N -1.47 1.59 0.22 -1.55 8.25 -0.32 -4.60 115.22 117.35 1mg2 n HIS 28 Ca 0.06 -0.56 0.11 0.00 -0.26 0.00 0.00 57.72 57.07 1mg2 n HIS 28 Cb 0.23 -0.40 0.60 0.00 1.12 0.00 0.00 29.99 31.54 1mg2 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mg2 n SER 30 N -2.39 0.69 -4.83 0.00 2.88 -1.26 -1.03 113.62 107.67 1mg2 n SER 30 Ca -0.01 -2.04 -0.34 0.00 -1.33 0.00 0.00 58.87 55.15 1mg2 n SER 30 Cb 0.25 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 1mg2 n SER 30 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1mg2 s ILE 31 N -1.59 4.55 -0.15 2.46 2.07 -0.92 -4.80 121.20 122.81 1mg2 s ILE 31 Ca 0.24 1.21 -0.04 0.00 -1.41 0.00 0.00 60.65 60.65 1mg2 s ILE 31 Cb 0.33 -3.68 0.05 0.00 0.13 0.00 0.00 42.46 39.29 1mg2 s ILE 31 CO -0.09 -0.12 0.08 -0.62 -1.91 0.00 0.00 174.94 172.27 1mg2 s ASP 32 N -2.09 2.18 0.00 4.50 2.15 -1.26 -1.03 116.67 121.12 1mg2 s ASP 32 Ca 0.54 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1mg2 s ASP 32 Cb -0.12 -0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 1mg2 s ASP 32 CO 0.17 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1mg2 n GLY 33 N 5.25 0.55 3.06 2.66 0.00 -0.47 -4.86 105.19 111.39 1mg2 n GLY 33 Ca -0.07 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1mg2 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mg2 s ASN 34 N -4.00 0.99 -0.24 1.61 0.01 -1.26 -0.85 114.94 111.19 1mg2 s ASN 34 Ca 0.00 -0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 51.42 1mg2 s ASN 34 Cb 0.00 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.65 1mg2 s ASN 34 CO 0.00 -0.10 1.17 -0.63 -1.51 0.00 0.00 177.10 176.03 1mg2 s ILE 35 N -1.01 4.41 0.37 0.60 1.01 -0.87 -0.40 121.20 125.30 1mg2 s ILE 35 Ca -0.05 1.67 0.12 0.00 0.00 0.00 0.00 60.65 62.39 1mg2 s ILE 35 Cb -0.08 -4.21 0.34 0.00 0.01 0.00 0.00 42.46 38.52 1mg2 s ILE 35 CO 0.01 -0.29 1.85 0.00 0.00 0.00 0.00 174.94 176.51 1mg2 h ASP 37 N 0.60 0.00 -0.18 0.00 3.58 -1.77 -0.09 116.42 118.56 1mg2 h ASP 37 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1mg2 h ASP 37 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1mg2 h ASP 37 CO -0.22 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.14 1mg2 n SER 39 N 0.59 0.78 0.00 0.00 3.41 -0.09 -4.87 113.62 113.44 1mg2 n SER 39 Ca 0.17 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 1mg2 n SER 39 Cb 0.40 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1mg2 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg2 n GLY 40 N -0.08 0.66 0.00 5.00 0.00 -1.23 -4.79 105.19 104.75 1mg2 n GLY 40 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1mg2 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg2 n GLY 41 N -1.17 1.62 1.68 -0.02 0.00 -0.92 -4.35 105.19 102.04 1mg2 n GLY 41 Ca 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1mg2 n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mg2 n SER 42 N 0.00 -0.56 -0.36 1.61 3.41 -0.52 -4.40 113.62 112.80 1mg2 n SER 42 Ca 0.00 -2.02 0.11 0.00 -0.26 0.00 0.00 58.87 56.70 1mg2 n SER 42 Cb 0.00 1.12 0.29 0.00 -0.26 0.00 0.00 64.21 65.37 1mg2 n SER 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1mg2 h LEU 43 N 0.00 0.84 -2.63 1.04 6.46 -1.94 -3.15 115.31 115.92 1mg2 h LEU 43 Ca -0.13 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1mg2 h LEU 43 Cb 0.61 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1mg2 h LEU 43 CO 0.18 0.36 -0.01 0.35 -0.62 0.00 0.00 178.44 178.70 1mg2 n THR 44 N -4.71 0.87 -4.28 1.05 -2.24 -1.26 -1.25 114.28 102.46 1mg2 n THR 44 Ca 0.22 -0.90 -0.22 0.00 -2.27 0.00 0.00 64.05 60.88 1mg2 n THR 44 Cb 0.49 0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 69.14 1mg2 n THR 44 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1mg2 s ASN 45 N -0.97 2.40 0.42 3.42 0.02 -1.19 -4.88 114.94 114.16 1mg2 s ASN 45 Ca 0.02 -0.75 -0.17 0.00 -1.02 0.00 0.00 52.86 50.94 1mg2 s ASN 45 Cb 0.02 -0.12 -0.09 0.00 0.02 0.00 0.00 41.25 41.08 1mg2 s ASN 45 CO 0.00 -0.02 0.88 0.00 0.02 0.00 0.00 177.10 177.98 1mg2 s PRO 47 N -3.41 2.63 0.34 0.00 0.02 -1.26 -4.54 135.00 128.77 1mg2 s PRO 47 Ca 0.58 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 1mg2 s PRO 47 Cb -0.10 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 1mg2 s PRO 47 CO 0.20 -1.36 1.44 -2.30 -0.33 0.00 0.00 177.00 174.65 1mg2 n PRO 48 N -2.94 2.46 0.00 5.54 -0.02 -1.26 -2.44 135.00 136.33 1mg2 n PRO 48 Ca 0.09 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1mg2 n PRO 48 Cb 0.53 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1mg2 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mg2 n GLY 49 N 1.05 2.80 3.95 -1.23 0.00 -1.26 -5.04 105.19 105.46 1mg2 n GLY 49 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1mg2 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mg2 s THR 50 N -2.14 3.02 -0.10 2.61 -4.23 -1.02 -4.94 115.64 108.83 1mg2 s THR 50 Ca 0.00 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1mg2 s THR 50 Cb 0.00 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 1mg2 s THR 50 CO 0.00 -0.15 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.29 1mg2 s LYS 51 N -4.87 3.12 -0.32 3.99 -0.14 0.14 -4.85 119.74 116.82 1mg2 s LYS 51 Ca 0.56 -0.62 -0.22 0.00 -1.36 0.00 0.00 55.97 54.32 1mg2 s LYS 51 Cb -0.10 -2.63 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1mg2 s LYS 51 CO 0.41 0.40 0.71 -1.17 -0.76 0.00 0.00 175.35 174.94 1mg2 s LEU 52 N -0.12 4.13 0.71 3.17 2.96 -1.26 0.71 118.68 128.98 1mg2 s LEU 52 Ca 0.00 0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 54.26 1mg2 s LEU 52 Cb -0.13 -2.93 0.02 0.00 0.50 0.00 0.00 46.19 43.64 1mg2 s LEU 52 CO 0.03 -0.57 1.08 0.00 -1.32 0.00 0.00 176.35 175.57 1mg2 s ALA 53 N 2.81 2.46 -0.24 5.97 0.00 -0.69 -3.99 121.76 128.08 1mg2 s ALA 53 Ca 0.28 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1mg2 s ALA 53 Cb -0.14 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 1mg2 s ALA 53 CO 0.13 -1.41 -0.23 0.25 0.00 0.00 0.00 175.76 174.49 1mg2 n THR 54 N -2.98 1.36 -2.13 0.00 -2.24 -0.74 -4.75 114.28 102.80 1mg2 n THR 54 Ca 0.09 -0.48 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 1mg2 n THR 54 Cb 0.53 -1.45 0.07 0.00 -2.10 0.00 0.00 70.33 67.38 1mg2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg2 s ALA 55 N -2.47 3.04 0.00 6.98 0.00 -1.09 -4.98 121.76 123.24 1mg2 s ALA 55 Ca -0.33 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1mg2 s ALA 55 Cb 0.09 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1mg2 s ALA 55 CO 0.52 -1.33 0.00 -1.13 0.00 0.00 0.00 175.76 173.83 1mg2 n SER 56 N -2.98 0.00 -3.35 0.00 3.41 -1.26 -4.56 113.62 104.88 1mg2 n SER 56 Ca 0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1mg2 n SER 56 Cb 0.60 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1mg2 n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1mg2 s VAL 58 N 2.20 0.00 -0.21 -3.33 -7.23 -0.66 -4.90 120.40 106.26 1mg2 s VAL 58 Ca 0.00 -0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 59.07 1mg2 s VAL 58 Cb 0.00 -2.58 0.12 0.00 0.56 0.00 0.00 36.38 34.47 1mg2 s VAL 58 CO 0.00 0.00 0.98 0.00 -0.31 0.00 0.00 175.10 175.77 1mg2 s ALA 59 N -2.70 -1.93 -0.31 1.32 0.00 -1.01 -4.59 121.76 112.54 1mg2 s ALA 59 Ca 0.16 1.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 1mg2 s ALA 59 Cb -0.04 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 1mg2 s ALA 59 CO 0.07 -0.28 0.74 0.45 0.00 0.00 0.00 175.76 176.75 1mg2 s SER 60 N -0.42 6.61 -0.12 0.00 0.15 -1.26 -0.79 113.70 117.87 1mg2 s SER 60 Ca 0.00 0.58 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 1mg2 s SER 60 Cb -0.03 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1mg2 s SER 60 CO -0.02 -0.58 -0.09 0.00 1.20 0.00 0.00 173.24 173.75 1mg2 s TYR 62 N 0.01 3.56 -0.44 0.00 5.04 -1.26 -0.75 117.35 123.52 1mg2 s TYR 62 Ca -0.02 1.50 -0.15 0.00 -2.44 0.00 0.00 57.07 55.96 1mg2 s TYR 62 Cb -0.14 -3.05 0.04 0.00 0.35 0.00 0.00 41.96 39.16 1mg2 s TYR 62 CO 0.04 -0.08 0.35 1.21 -1.34 0.00 0.00 175.55 175.73 1mg2 s ASN 63 N 1.01 6.13 0.37 4.32 3.84 0.06 -4.84 114.94 125.83 1mg2 s ASN 63 Ca 0.46 -1.03 0.26 0.00 0.21 0.00 0.00 52.86 52.75 1mg2 s ASN 63 Cb -0.19 -2.18 1.31 0.00 -0.55 0.00 0.00 41.25 39.64 1mg2 s ASN 63 CO 0.21 -0.54 1.78 1.55 -2.79 0.00 0.00 177.10 177.31 1mg2 h PRO 64 N 8.69 0.00 -0.03 0.43 0.13 -1.88 0.55 132.00 139.89 1mg2 h PRO 64 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1mg2 h PRO 64 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1mg2 h PRO 64 CO 0.79 0.00 -0.23 1.15 -0.23 0.00 0.00 178.00 179.49 1mg2 h THR 65 N 0.00 1.49 -0.14 1.56 2.02 -1.94 -3.36 112.91 112.53 1mg2 h THR 65 Ca 0.00 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1mg2 h THR 65 Cb 0.11 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1mg2 h THR 65 CO 0.00 0.49 0.00 -0.90 0.37 0.00 0.00 175.52 175.48 1mg2 n ASP 66 N -4.53 2.22 -0.16 4.18 5.68 -1.15 -4.99 116.55 117.80 1mg2 n ASP 66 Ca -0.09 -1.73 -0.02 0.00 -0.50 0.00 0.00 54.79 52.45 1mg2 n ASP 66 Cb 0.47 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.34 1mg2 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg2 n GLY 67 N 0.25 0.31 3.92 6.12 0.00 0.17 -4.98 105.19 110.99 1mg2 n GLY 67 Ca 0.06 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1mg2 n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mg2 s GLN 68 N -1.80 3.34 -0.14 1.61 -1.52 -1.22 -4.86 119.66 115.07 1mg2 s GLN 68 Ca 0.00 -0.65 -0.04 0.00 -1.95 0.00 0.00 55.36 52.73 1mg2 s GLN 68 Cb 0.00 -2.91 -0.03 0.00 -0.22 0.00 0.00 33.01 29.85 1mg2 s GLN 68 CO 0.00 0.52 -0.01 -1.12 -0.25 0.00 0.00 175.29 174.42 1mg2 s SER 69 N -3.20 5.05 0.09 5.90 0.01 -1.26 -0.76 113.70 119.53 1mg2 s SER 69 Ca 0.34 -0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.68 1mg2 s SER 69 Cb -0.11 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1mg2 s SER 69 CO 0.28 0.23 -0.25 -0.31 0.41 0.00 0.00 173.24 173.59 1mg2 s TYR 70 N 0.00 2.20 -0.25 2.43 1.51 0.07 0.02 117.35 123.32 1mg2 s TYR 70 Ca 0.02 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.45 1mg2 s TYR 70 Cb -0.13 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1mg2 s TYR 70 CO 0.02 0.23 0.81 -1.17 -1.11 0.00 0.00 175.55 174.33 1mg2 s LEU 71 N -1.70 4.08 -0.19 -1.29 2.96 0.13 -0.25 118.68 122.42 1mg2 s LEU 71 Ca 0.12 0.95 -0.10 0.00 -0.22 0.00 0.00 54.13 54.88 1mg2 s LEU 71 Cb -0.10 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 1mg2 s LEU 71 CO 0.04 -0.53 0.13 -0.63 -1.32 0.00 0.00 176.35 174.04 1mg2 s ILE 72 N 2.85 5.41 -0.52 6.68 -1.09 0.03 -1.14 121.20 133.42 1mg2 s ILE 72 Ca 0.34 0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.81 1mg2 s ILE 72 Cb -0.15 -3.45 0.13 0.00 -1.58 0.00 0.00 42.46 37.40 1mg2 s ILE 72 CO 0.08 0.46 0.45 0.00 -1.23 0.00 0.00 174.94 174.70 1mg2 s ALA 73 N 0.17 3.56 -1.24 9.38 0.00 -0.66 -2.40 121.76 130.57 1mg2 s ALA 73 Ca 0.09 -2.54 -0.19 0.00 0.00 0.00 0.00 51.96 49.32 1mg2 s ALA 73 Cb -0.11 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 1mg2 s ALA 73 CO -0.01 -1.98 1.92 0.66 0.00 0.00 0.00 175.76 176.35 1mg2 n TYR 74 N 5.13 3.63 -2.89 0.00 4.01 -1.26 -4.11 117.16 121.68 1mg2 n TYR 74 Ca -0.12 -2.44 -0.33 0.00 -0.16 0.00 0.00 57.90 54.84 1mg2 n TYR 74 Cb 0.40 -2.50 -0.07 0.00 -0.31 0.00 0.00 39.34 36.87 1mg2 n TYR 74 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1mg2 s ARG 75 N 4.57 4.23 0.12 -0.72 0.52 -1.25 -4.70 118.95 121.72 1mg2 s ARG 75 Ca 0.56 1.04 0.04 0.00 -0.52 0.00 0.00 55.73 56.85 1mg2 s ARG 75 Cb 0.07 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1mg2 s ARG 75 CO 0.06 0.06 0.14 -0.51 0.02 0.00 0.00 175.30 175.06 1mg2 s ASP 76 N -2.11 5.66 -0.22 0.23 1.01 -1.06 -1.74 116.67 118.43 1mg2 s ASP 76 Ca 0.58 -0.03 -0.09 0.00 0.71 0.00 0.00 52.55 53.72 1mg2 s ASP 76 Cb -0.11 -1.54 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 1mg2 s ASP 76 CO 0.15 0.11 0.12 0.00 0.21 0.00 0.00 175.17 175.76 1mg2 n GLY 79 N -0.99 0.76 3.05 0.00 0.00 -0.91 0.29 105.19 107.39 1mg2 n GLY 79 Ca -0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1mg2 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mg2 s TYR 80 N -2.00 0.45 0.64 1.61 1.51 -1.26 -4.96 117.35 113.35 1mg2 s TYR 80 Ca 0.00 -0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 55.15 1mg2 s TYR 80 Cb 0.00 -0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 41.53 1mg2 s TYR 80 CO 0.00 -0.25 1.09 1.21 -1.11 0.00 0.00 175.55 176.49 1mg2 s ASN 81 N -2.16 5.30 0.11 2.29 2.47 -1.26 -3.66 114.94 118.03 1mg2 s ASN 81 Ca -0.04 1.92 -0.35 0.00 0.42 0.00 0.00 52.86 54.81 1mg2 s ASN 81 Cb -0.02 -2.54 -0.17 0.00 -1.45 0.00 0.00 41.25 37.07 1mg2 s ASN 81 CO -0.05 -1.50 1.11 0.52 -3.72 0.00 0.00 177.10 173.47 1mg2 n VAL 82 N -2.37 0.60 -0.28 -5.21 0.31 -1.01 -4.57 118.33 105.80 1mg2 n VAL 82 Ca 0.10 -0.15 0.01 0.00 -0.01 0.00 0.00 64.34 64.29 1mg2 n VAL 82 Cb 0.52 -0.55 0.22 0.00 -0.91 0.00 0.00 33.84 33.12 1mg2 n VAL 82 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1mg2 h SER 83 N 3.30 0.94 0.00 4.52 4.64 -1.70 -3.46 113.55 121.78 1mg2 h SER 83 Ca -0.44 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1mg2 h SER 83 Cb 1.37 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1mg2 h SER 83 CO 0.69 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 1mg2 n GLY 84 N -1.41 0.82 3.52 -0.77 0.00 -1.26 -5.02 105.19 101.07 1mg2 n GLY 84 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1mg2 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mg2 s ARG 85 N -0.05 2.77 -1.03 1.61 0.52 -1.26 -4.76 118.95 116.76 1mg2 s ARG 85 Ca 0.00 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.47 1mg2 s ARG 85 Cb 0.00 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 1mg2 s ARG 85 CO 0.00 0.58 0.79 0.00 0.02 0.00 0.00 175.30 176.69 1mg2 s PRO 87 N -5.06 4.49 -0.00 0.00 0.04 -1.26 -2.06 135.00 131.15 1mg2 s PRO 87 Ca 0.36 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1mg2 s PRO 87 Cb -0.10 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.56 1mg2 s PRO 87 CO 0.82 0.14 0.27 0.00 0.04 0.00 0.00 177.00 178.27 1mg2 s LEU 89 N -1.46 -0.53 0.15 0.00 2.96 -1.25 -1.37 118.68 117.18 1mg2 s LEU 89 Ca -0.12 -0.15 0.09 0.00 -0.22 0.00 0.00 54.13 53.72 1mg2 s LEU 89 Cb -0.05 0.91 -0.04 0.00 0.50 0.00 0.00 46.19 47.51 1mg2 s LEU 89 CO 0.03 -0.33 -0.19 0.20 -1.32 0.00 0.00 176.35 174.73 1mg2 s ASN 90 N 2.48 2.68 -0.28 3.68 0.01 -0.20 -5.00 114.94 118.32 1mg2 s ASN 90 Ca 0.11 -0.81 0.21 0.00 -0.71 0.00 0.00 52.86 51.65 1mg2 s ASN 90 Cb -0.14 -0.16 0.50 0.00 0.41 0.00 0.00 41.25 41.85 1mg2 s ASN 90 CO -0.22 -0.00 1.08 0.35 -1.51 0.00 0.00 177.10 176.80 1mg2 n THR 91 N 0.51 1.30 -1.80 1.60 -2.24 -1.20 -3.63 114.28 108.83 1mg2 n THR 91 Ca -0.15 -3.05 -0.43 0.00 -2.27 0.00 0.00 64.05 58.15 1mg2 n THR 91 Cb 0.56 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1mg2 n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mg2 s GLU 92 N -3.66 3.34 0.00 -0.78 0.41 -0.19 -1.61 118.70 116.21 1mg2 s GLU 92 Ca 0.29 1.83 0.00 0.00 -0.41 0.00 0.00 54.97 56.68 1mg2 s GLU 92 Cb 0.35 -4.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.44 1mg2 s GLU 92 CO -0.02 -1.85 0.00 0.41 -0.49 0.00 0.00 175.26 173.31 1mg2 n GLY 93 N 5.44 0.53 3.70 -1.39 0.00 -1.26 -4.70 105.19 107.52 1mg2 n GLY 93 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1mg2 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg2 s GLU 94 N -0.40 4.24 0.24 1.61 -6.30 -0.64 -4.98 118.70 112.49 1mg2 s GLU 94 Ca 0.00 2.23 0.08 0.00 -2.50 0.00 0.00 54.97 54.78 1mg2 s GLU 94 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 34.13 30.72 1mg2 s GLU 94 CO 0.00 -0.60 0.09 -0.51 0.02 0.00 0.00 175.26 174.26 1mg2 s LEU 95 N 1.78 3.51 1.12 2.70 1.02 -0.87 -5.01 118.68 122.93 1mg2 s LEU 95 Ca 0.69 -0.42 -0.14 0.00 0.02 0.00 0.00 54.13 54.28 1mg2 s LEU 95 Cb -0.39 -2.06 0.20 0.00 0.02 0.00 0.00 46.19 43.96 1mg2 s LEU 95 CO 0.31 -0.00 0.66 -2.65 0.02 0.00 0.00 176.35 174.69 1mg2 n PRO 96 N -0.90 -1.82 0.23 1.29 -0.02 -1.26 -3.81 135.00 128.70 1mg2 n PRO 96 Ca -0.07 -0.50 0.16 0.00 -2.02 0.00 0.00 63.50 61.07 1mg2 n PRO 96 Cb 0.58 -2.02 0.85 0.00 -0.02 0.00 0.00 33.50 32.89 1mg2 n PRO 96 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1mg2 h VAL 97 N -2.33 0.51 0.00 -1.45 3.04 -1.97 -1.42 116.25 112.63 1mg2 h VAL 97 Ca -0.56 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1mg2 h VAL 97 Cb 1.33 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1mg2 h VAL 97 CO 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.00 1mg2 n TYR 98 N -3.85 0.00 -3.04 3.17 0.18 -1.26 -2.33 117.16 110.02 1mg2 n TYR 98 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 1mg2 n TYR 98 Cb 0.25 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.17 1mg2 n TYR 98 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1mg2 n ARG 99 N -0.95 2.01 -0.38 -3.48 5.12 -0.53 -4.98 116.66 113.46 1mg2 n ARG 99 Ca 0.15 -4.04 0.30 0.00 -1.93 0.00 0.00 57.85 52.33 1mg2 n ARG 99 Cb 0.07 -1.93 0.57 0.00 -1.16 0.00 0.00 32.46 30.00 1mg2 n ARG 99 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1mg2 h PRO 100 N 2.98 0.21 -0.16 5.56 0.13 -1.61 -1.20 132.00 137.91 1mg2 h PRO 100 Ca 0.11 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1mg2 h PRO 100 Cb 0.78 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1mg2 h PRO 100 CO 0.65 0.14 0.34 1.05 -0.23 0.00 0.00 178.00 179.94 1mg2 h GLU 101 N 0.21 0.00 0.00 0.86 9.09 -1.91 -1.02 114.58 121.81 1mg2 h GLU 101 Ca 0.75 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.16 1mg2 h GLU 101 Cb 2.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.18 1mg2 h GLU 101 CO -0.46 0.00 -0.00 1.19 0.05 0.00 0.00 179.01 179.79 1mg2 n PHE 102 N -3.28 0.00 -3.32 2.06 3.72 -0.46 -1.66 117.46 114.53 1mg2 n PHE 102 Ca 0.01 -0.48 -0.38 0.00 -0.05 0.00 0.00 57.45 56.55 1mg2 n PHE 102 Cb 0.44 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 1mg2 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mg2 s ALA 103 N -1.02 3.49 -0.46 4.37 0.00 -0.39 -2.05 121.76 125.70 1mg2 s ALA 103 Ca 0.02 -0.25 0.15 0.00 0.00 0.00 0.00 51.96 51.88 1mg2 s ALA 103 Cb 0.02 -2.66 0.48 0.00 0.00 0.00 0.00 23.12 20.96 1mg2 s ALA 103 CO 0.00 -0.08 1.39 0.27 0.00 0.00 0.00 175.76 177.34 1mg2 n ASN 104 N 3.89 3.71 0.03 0.00 2.04 -1.26 -4.28 115.26 119.39 1mg2 n ASN 104 Ca -0.07 -2.67 0.12 0.00 -0.44 0.00 0.00 54.58 51.52 1mg2 n ASN 104 Cb 0.51 -0.45 0.10 0.00 -2.53 0.00 0.00 39.78 37.41 1mg2 n ASN 104 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1mg2 n ASP 105 N -0.06 0.63 -4.75 0.53 8.00 -1.26 -4.70 116.55 114.94 1mg2 n ASP 105 Ca 0.19 -0.19 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1mg2 n ASP 105 Cb 0.76 0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 42.35 1mg2 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mg2 s ILE 106 N -3.13 3.68 -0.69 0.53 1.01 -1.26 -4.97 121.20 116.37 1mg2 s ILE 106 Ca 0.06 1.56 -0.27 0.00 0.00 0.00 0.00 60.65 62.00 1mg2 s ILE 106 Cb 0.15 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1mg2 s ILE 106 CO 0.76 0.31 1.24 -0.63 0.00 0.00 0.00 174.94 176.62 1mg2 s ILE 107 N -0.65 3.84 -1.42 2.92 -1.09 -1.26 -4.92 121.20 118.62 1mg2 s ILE 107 Ca 0.47 0.50 -0.13 0.00 -2.23 0.00 0.00 60.65 59.26 1mg2 s ILE 107 Cb -0.31 -4.85 0.07 0.00 -1.58 0.00 0.00 42.46 35.79 1mg2 s ILE 107 CO 0.38 -1.69 2.14 0.79 -1.23 0.00 0.00 174.94 175.32 1mg2 n TRP 108 N 9.03 3.46 0.45 3.97 7.02 -1.26 -4.49 117.44 135.61 1mg2 n TRP 108 Ca 0.04 -2.94 0.05 0.00 -1.02 0.00 0.00 57.50 53.63 1mg2 n TRP 108 Cb 0.49 -2.44 0.03 0.00 -2.42 0.00 0.00 31.31 26.97 1mg2 n TRP 108 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1mg2 n PHE 110 N 0.36 2.45 -0.11 0.00 3.72 -1.26 -2.11 117.46 120.51 1mg2 n PHE 110 Ca 0.06 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 1mg2 n PHE 110 Cb 0.25 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.32 1mg2 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mg2 n GLY 111 N 1.35 1.28 3.77 1.37 0.00 -1.26 -1.79 105.19 109.90 1mg2 n GLY 111 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1mg2 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg2 s ALA 112 N -2.59 2.65 0.64 4.61 0.00 -0.90 -4.24 121.76 121.93 1mg2 s ALA 112 Ca 0.00 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 1mg2 s ALA 112 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1mg2 s ALA 112 CO 0.00 -0.89 1.29 -1.21 0.00 0.00 0.00 175.76 174.94 1mg2 s GLU 113 N -3.30 2.63 -1.35 0.00 8.01 -1.26 -2.44 118.70 120.99 1mg2 s GLU 113 Ca 0.74 2.04 0.00 0.00 0.01 0.00 0.00 54.97 57.76 1mg2 s GLU 113 Cb -0.26 -1.87 0.00 0.00 -4.31 0.00 0.00 34.13 27.69 1mg2 s GLU 113 CO 0.29 -1.53 0.00 -0.25 0.01 0.00 0.00 175.26 173.78 1mg2 n ASP 114 N -1.83 -5.50 -2.63 -0.19 10.43 -1.26 -2.45 116.55 113.13 1mg2 n ASP 114 Ca 0.15 0.32 -0.20 0.00 2.57 0.00 0.00 54.79 57.63 1mg2 n ASP 114 Cb 0.48 -4.12 0.00 0.00 1.84 0.00 0.00 41.12 39.33 1mg2 n ASP 114 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1mg2 n ASP 115 N -1.07 -5.48 -4.71 -2.24 8.00 -1.02 -4.91 116.55 105.12 1mg2 n ASP 115 Ca -0.13 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.88 1mg2 n ASP 115 Cb 0.58 -4.53 -0.03 0.00 -0.02 0.00 0.00 41.12 37.12 1mg2 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg2 s ALA 116 N -2.99 3.82 0.00 2.24 0.00 -1.03 -4.88 121.76 118.92 1mg2 s ALA 116 Ca 0.10 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1mg2 s ALA 116 Cb -0.05 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1mg2 s ALA 116 CO 0.13 -0.89 0.44 -1.33 0.00 0.00 0.00 175.76 174.10 1mg2 n MET 117 N 4.27 -0.24 -2.95 0.00 2.81 -1.26 -4.64 117.12 115.11 1mg2 n MET 117 Ca 0.15 -0.50 -0.37 0.00 -1.81 0.00 0.00 57.70 55.17 1mg2 n MET 117 Cb 0.38 -0.86 -0.06 0.00 -0.71 0.00 0.00 33.22 31.97 1mg2 n MET 117 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1mg2 s THR 118 N -0.12 4.37 -0.10 2.03 -4.23 -1.26 -4.86 115.64 111.47 1mg2 s THR 118 Ca 0.00 1.61 -0.24 0.00 -1.18 0.00 0.00 61.69 61.88 1mg2 s THR 118 Cb 0.00 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 1mg2 s THR 118 CO 0.00 0.28 0.74 -0.47 -0.54 0.00 0.00 174.62 174.63 1mg2 s TYR 119 N -1.44 3.53 -0.03 3.99 5.04 -1.26 -2.13 117.35 125.05 1mg2 s TYR 119 Ca 0.43 1.25 -0.05 0.00 -2.44 0.00 0.00 57.07 56.26 1mg2 s TYR 119 Cb -0.19 -2.87 -0.03 0.00 0.35 0.00 0.00 41.96 39.22 1mg2 s TYR 119 CO 0.24 -0.01 -0.11 1.58 -1.34 0.00 0.00 175.55 175.91 1mg2 n HIS 120 N 4.20 0.00 -3.81 4.97 -0.00 -0.80 -2.41 115.22 117.37 1mg2 n HIS 120 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1mg2 n HIS 120 Cb 0.51 -0.22 -0.00 0.00 -0.00 0.00 0.00 29.99 30.27 1mg2 n HIS 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mg2 s THR 122 N -3.10 1.86 0.26 0.00 2.01 0.46 -0.99 115.64 116.13 1mg2 s THR 122 Ca 0.14 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1mg2 s THR 122 Cb -0.03 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1mg2 s THR 122 CO 0.06 0.53 0.31 0.27 -0.69 0.00 0.00 174.62 175.09 1mg2 s ILE 123 N -0.53 4.82 -0.55 1.82 -4.36 -0.71 -2.60 121.20 119.09 1mg2 s ILE 123 Ca 0.08 -1.15 0.06 0.00 -0.26 0.00 0.00 60.65 59.39 1mg2 s ILE 123 Cb -0.09 -3.64 0.32 0.00 1.25 0.00 0.00 42.46 40.30 1mg2 s ILE 123 CO -0.01 -0.32 0.85 -1.20 0.24 0.00 0.00 174.94 174.51 1mg2 n SER 124 N -1.35 3.54 -4.84 4.36 7.64 -0.38 -3.86 113.62 118.74 1mg2 n SER 124 Ca -0.08 -3.48 -0.32 0.00 1.01 0.00 0.00 58.87 56.00 1mg2 n SER 124 Cb 0.57 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.12 1mg2 n SER 124 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mg2 s PRO 125 N -3.01 4.07 -0.02 1.43 0.04 -1.26 -4.82 135.00 131.43 1mg2 s PRO 125 Ca 0.45 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 62.21 1mg2 s PRO 125 Cb 0.26 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1mg2 s PRO 125 CO -0.10 -0.04 0.58 0.42 0.04 0.00 0.00 177.00 177.89 1mg2 s ILE 126 N -2.26 4.96 -0.42 0.56 1.01 -1.26 -1.65 121.20 122.14 1mg2 s ILE 126 Ca 0.58 1.20 0.03 0.00 0.00 0.00 0.00 60.65 62.47 1mg2 s ILE 126 Cb -0.10 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.50 1mg2 s ILE 126 CO 0.20 0.40 0.69 1.33 0.00 0.00 0.00 174.94 177.56 1mg2 n VAL 127 N 2.88 0.16 0.00 2.92 0.24 -0.30 -4.92 118.33 119.31 1mg2 n VAL 127 Ca -0.07 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 1mg2 n VAL 127 Cb 0.51 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1mg2 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mg2 n GLY 128 N 0.14 1.08 3.86 7.63 0.00 -1.24 -4.98 105.19 111.69 1mg2 n GLY 128 Ca 0.02 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1mg2 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mg2 s LYS 129 N -2.00 3.89 0.00 1.61 1.02 -1.26 0.21 119.74 123.21 1mg2 s LYS 129 Ca 0.00 0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1mg2 s LYS 129 Cb 0.00 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1mg2 s LYS 129 CO 0.00 -0.00 0.00 0.00 -0.92 0.00 0.00 175.35 174.43 1mg2 n ALA 130 N -1.01 0.00 1.57 5.17 0.00 0.10 -4.51 120.51 121.82 1mg2 n ALA 130 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1mg2 n ALA 130 Cb 0.54 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.57 1mg2 n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93