#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg3 s ASP 8 N 0.00 6.38 0.37 3.42 3.68 -1.26 -4.97 116.67 124.30 1mg3 s ASP 8 Ca 0.00 0.27 0.10 0.00 2.13 0.00 0.00 52.55 55.05 1mg3 s ASP 8 Cb 0.00 -2.28 0.74 0.00 -1.45 0.00 0.00 42.92 39.93 1mg3 s ASP 8 CO 0.00 -0.39 1.86 1.55 0.13 0.00 0.00 175.17 178.32 1mg3 h PRO 9 N 8.24 0.14 0.00 4.34 0.13 -2.05 -3.01 132.00 139.79 1mg3 h PRO 9 Ca -0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1mg3 h PRO 9 Cb 1.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1mg3 h PRO 9 CO 0.75 0.39 -0.36 0.00 -0.23 0.00 0.00 178.00 178.55 1mg3 h ARG 10 N 0.13 0.00 -7.16 0.86 3.08 -2.05 -3.47 114.38 105.77 1mg3 h ARG 10 Ca 0.02 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.55 1mg3 h ARG 10 Cb 0.52 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.69 1mg3 h ARG 10 CO 0.04 0.00 0.40 0.00 -1.07 0.00 0.00 179.97 179.34 1mg3 s ALA 11 N -3.19 2.38 0.47 0.04 0.00 -1.14 -4.94 121.76 115.38 1mg3 s ALA 11 Ca 0.07 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 1mg3 s ALA 11 Cb 0.11 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1mg3 s ALA 11 CO 0.68 -1.41 0.91 1.17 0.00 0.00 0.00 175.76 177.11 1mg3 n LYS 12 N -2.26 1.11 -2.43 0.00 4.81 -1.26 -4.89 118.16 113.23 1mg3 n LYS 12 Ca 0.12 0.41 -0.42 0.00 -0.87 0.00 0.00 58.31 57.54 1mg3 n LYS 12 Cb 0.51 -1.98 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 1mg3 n LYS 12 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1mg3 s TRP 13 N -1.38 3.10 -0.41 5.64 -0.00 -1.26 -5.00 118.94 119.63 1mg3 s TRP 13 Ca 0.66 1.15 -0.04 0.00 -0.00 0.00 0.00 56.10 57.86 1mg3 s TRP 13 Cb -0.53 -3.46 0.10 0.00 -0.00 0.00 0.00 33.47 29.59 1mg3 s TRP 13 CO 0.55 -1.47 0.21 0.08 -0.00 0.00 0.00 176.95 176.31 1mg3 s VAL 14 N 2.45 3.49 0.57 5.86 1.01 -1.26 -5.10 120.40 127.43 1mg3 s VAL 14 Ca 0.56 -1.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.48 1mg3 s VAL 14 Cb -0.25 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1mg3 s VAL 14 CO 0.21 -0.63 1.15 -2.16 0.00 0.00 0.00 175.10 173.67 1mg3 s PRO 15 N 1.21 3.17 0.08 2.72 0.04 -1.26 -4.89 135.00 136.07 1mg3 s PRO 15 Ca 0.06 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1mg3 s PRO 15 Cb -0.23 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1mg3 s PRO 15 CO -0.03 -1.01 -0.08 1.14 0.04 0.00 0.00 177.00 177.07 1mg3 s GLN 16 N -3.40 0.73 -0.44 4.56 1.03 0.10 -4.85 119.66 117.39 1mg3 s GLN 16 Ca 0.73 -1.09 0.08 0.00 0.04 0.00 0.00 55.36 55.13 1mg3 s GLN 16 Cb -0.25 -0.33 0.40 0.00 0.03 0.00 0.00 33.01 32.86 1mg3 s GLN 16 CO 0.30 0.03 1.00 -3.47 -2.54 0.00 0.00 175.29 170.62 1mg3 n ASP 17 N 0.64 3.59 0.00 12.60 2.03 -1.26 -0.69 116.55 133.47 1mg3 n ASP 17 Ca -0.17 -3.44 0.00 0.00 0.52 0.00 0.00 54.79 51.70 1mg3 n ASP 17 Cb 0.58 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1mg3 n ASP 17 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1mg3 n ASN 18 N -0.26 0.00 -3.20 1.67 0.23 -1.26 -5.05 115.26 107.39 1mg3 n ASN 18 Ca 0.30 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 1mg3 n ASN 18 Cb 0.62 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.30 1mg3 n ASN 18 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1mg3 s ASP 19 N 0.00 -0.99 0.00 0.53 -1.08 -1.26 -5.03 116.67 108.84 1mg3 s ASP 19 Ca 0.00 0.27 0.22 0.00 -0.52 0.00 0.00 52.55 52.52 1mg3 s ASP 19 Cb 0.00 1.80 1.26 0.00 -1.46 0.00 0.00 42.92 44.52 1mg3 s ASP 19 CO 0.00 -0.30 1.70 2.30 0.52 0.00 0.00 175.17 179.39 1mg3 n ILE 20 N 5.40 0.11 0.82 4.11 -5.35 -1.26 -2.62 119.36 120.57 1mg3 n ILE 20 Ca 0.02 0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.64 1mg3 n ILE 20 Cb 0.52 -0.68 0.17 0.00 -1.74 0.00 0.00 39.64 37.92 1mg3 n ILE 20 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mg3 n GLN 21 N -1.09 2.33 -3.91 6.28 6.02 -1.26 -4.90 117.38 120.86 1mg3 n GLN 21 Ca 0.15 -1.96 -0.32 0.00 -0.01 0.00 0.00 57.00 54.85 1mg3 n GLN 21 Cb 0.11 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 1mg3 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mg3 s ALA 22 N -1.83 3.98 -0.31 -1.58 0.00 -1.08 -4.98 121.76 115.96 1mg3 s ALA 22 Ca 0.32 -0.79 0.26 0.00 0.00 0.00 0.00 51.96 51.75 1mg3 s ALA 22 Cb 0.21 -1.87 1.11 0.00 0.00 0.00 0.00 23.12 22.58 1mg3 s ALA 22 CO 0.31 0.78 1.78 0.00 0.00 0.00 0.00 175.76 178.63 1mg3 n ASP 24 N -2.44 3.04 -4.73 0.00 5.75 -1.26 -4.80 116.55 112.12 1mg3 n ASP 24 Ca 0.01 -2.17 -0.42 0.00 -0.01 0.00 0.00 54.79 52.21 1mg3 n ASP 24 Cb 0.23 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.88 1mg3 n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1mg3 s TYR 25 N -1.57 3.24 0.44 2.11 5.04 -1.00 -0.72 117.35 124.90 1mg3 s TYR 25 Ca 0.34 1.11 0.22 0.00 -2.44 0.00 0.00 57.07 56.30 1mg3 s TYR 25 Cb 0.20 -3.64 1.20 0.00 0.35 0.00 0.00 41.96 40.07 1mg3 s TYR 25 CO 0.19 -2.11 1.83 0.11 -1.34 0.00 0.00 175.55 174.22 1mg3 h TRP 26 N 5.91 0.44 0.00 4.97 5.08 -1.23 -0.62 115.95 130.49 1mg3 h TRP 26 Ca -0.44 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1mg3 h TRP 26 Cb 1.21 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 1mg3 h TRP 26 CO 0.63 0.08 0.00 0.54 -1.28 0.00 0.00 178.44 178.41 1mg3 n ARG 27 N -4.48 0.12 -0.35 0.12 5.12 -1.26 -3.21 116.66 112.72 1mg3 n ARG 27 Ca 0.22 0.05 0.08 0.00 -1.93 0.00 0.00 57.85 56.27 1mg3 n ARG 27 Cb 0.86 -1.50 0.24 0.00 -1.16 0.00 0.00 32.46 30.90 1mg3 n ARG 27 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1mg3 n HIS 28 N -1.43 0.88 0.19 -1.55 8.25 -0.24 -4.60 115.22 116.72 1mg3 n HIS 28 Ca 0.08 -0.39 0.07 0.00 -0.26 0.00 0.00 57.72 57.23 1mg3 n HIS 28 Cb 0.27 -0.09 0.39 0.00 1.12 0.00 0.00 29.99 31.68 1mg3 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mg3 n SER 30 N -2.15 0.71 -4.85 0.00 2.88 -1.26 -1.09 113.62 107.86 1mg3 n SER 30 Ca -0.01 -2.05 -0.34 0.00 -1.33 0.00 0.00 58.87 55.14 1mg3 n SER 30 Cb 0.37 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.59 1mg3 n SER 30 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1mg3 s ILE 31 N -1.88 4.77 -0.06 2.46 2.07 -0.72 -4.83 121.20 123.01 1mg3 s ILE 31 Ca 0.24 0.88 0.00 0.00 -1.41 0.00 0.00 60.65 60.36 1mg3 s ILE 31 Cb 0.33 -3.71 0.02 0.00 0.13 0.00 0.00 42.46 39.24 1mg3 s ILE 31 CO -0.08 0.07 -0.04 -0.62 -1.91 0.00 0.00 174.94 172.36 1mg3 s ASP 32 N -1.97 1.26 0.00 4.50 2.15 -1.26 -1.06 116.67 120.30 1mg3 s ASP 32 Ca 0.45 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1mg3 s ASP 32 Cb -0.13 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 1mg3 s ASP 32 CO 0.20 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 1mg3 n GLY 33 N 4.45 0.15 3.16 2.66 0.00 -0.31 -4.79 105.19 110.51 1mg3 n GLY 33 Ca -0.18 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 1mg3 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mg3 s ASN 34 N -4.00 1.78 -0.42 1.61 0.01 -1.26 -0.25 114.94 112.41 1mg3 s ASN 34 Ca 0.00 -0.50 -0.29 0.00 -0.71 0.00 0.00 52.86 51.36 1mg3 s ASN 34 Cb 0.00 -0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.57 1mg3 s ASN 34 CO 0.00 0.03 1.17 -0.63 -1.51 0.00 0.00 177.10 176.16 1mg3 s ILE 35 N -0.92 4.23 0.37 0.60 1.01 -0.75 -0.46 121.20 125.28 1mg3 s ILE 35 Ca 0.02 1.31 0.17 0.00 0.00 0.00 0.00 60.65 62.14 1mg3 s ILE 35 Cb -0.08 -4.49 0.37 0.00 0.01 0.00 0.00 42.46 38.27 1mg3 s ILE 35 CO 0.02 -0.83 1.73 0.00 0.00 0.00 0.00 174.94 175.85 1mg3 n ASP 37 N -4.76 0.00 -1.15 0.00 2.03 -1.25 -0.56 116.55 110.86 1mg3 n ASP 37 Ca 0.28 0.35 0.12 0.00 0.52 0.00 0.00 54.79 56.06 1mg3 n ASP 37 Cb 0.91 -0.35 0.22 0.00 -0.72 0.00 0.00 41.12 41.18 1mg3 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mg3 n SER 39 N 1.48 0.43 0.00 0.00 3.41 0.28 -4.87 113.62 114.35 1mg3 n SER 39 Ca 0.19 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1mg3 n SER 39 Cb 0.60 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1mg3 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg3 n GLY 40 N 0.14 0.90 0.00 5.00 0.00 -1.21 -4.81 105.19 105.21 1mg3 n GLY 40 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1mg3 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg3 n GLY 41 N -0.79 1.51 3.34 -0.02 0.00 -0.89 -4.38 105.19 103.97 1mg3 n GLY 41 Ca 0.00 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 1mg3 n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mg3 s SER 42 N -1.00 1.96 0.41 1.61 1.04 0.02 -4.17 113.70 113.58 1mg3 s SER 42 Ca 0.00 -1.75 0.21 0.00 0.48 0.00 0.00 55.95 54.88 1mg3 s SER 42 Cb 0.00 0.56 1.16 0.00 0.10 0.00 0.00 66.02 67.85 1mg3 s SER 42 CO 0.00 -1.04 1.76 0.25 0.98 0.00 0.00 173.24 175.18 1mg3 h LEU 43 N 2.04 0.40 -2.49 2.42 6.46 -1.94 -2.81 115.31 119.39 1mg3 h LEU 43 Ca -0.27 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1mg3 h LEU 43 Cb 1.24 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1mg3 h LEU 43 CO 0.40 0.05 -0.04 0.35 -0.62 0.00 0.00 178.44 178.59 1mg3 n THR 44 N -4.61 0.88 -4.28 1.05 -2.24 -1.26 -1.45 114.28 102.38 1mg3 n THR 44 Ca 0.26 -0.96 -0.18 0.00 -2.27 0.00 0.00 64.05 60.90 1mg3 n THR 44 Cb 0.95 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 69.51 1mg3 n THR 44 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1mg3 s ASN 45 N -1.16 1.42 0.60 3.42 0.02 -1.06 -4.89 114.94 113.28 1mg3 s ASN 45 Ca 0.06 -0.44 -0.16 0.00 -1.02 0.00 0.00 52.86 51.30 1mg3 s ASN 45 Cb 0.06 -0.08 -0.03 0.00 0.02 0.00 0.00 41.25 41.21 1mg3 s ASN 45 CO 0.01 -0.01 1.06 0.00 0.02 0.00 0.00 177.10 178.18 1mg3 s PRO 47 N -4.05 3.36 0.26 0.00 0.02 -1.26 -4.52 135.00 128.81 1mg3 s PRO 47 Ca 0.64 0.99 -0.30 0.00 0.02 0.00 0.00 61.00 62.35 1mg3 s PRO 47 Cb -0.16 -2.05 -0.14 0.00 0.02 0.00 0.00 34.50 32.17 1mg3 s PRO 47 CO 0.37 -0.76 1.11 -2.30 -0.33 0.00 0.00 177.00 175.08 1mg3 n PRO 48 N -2.44 1.42 0.00 5.54 -0.02 -1.26 -2.10 135.00 136.13 1mg3 n PRO 48 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1mg3 n PRO 48 Cb 0.53 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1mg3 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mg3 n GLY 49 N 1.50 2.77 3.94 -1.23 0.00 -1.26 -5.02 105.19 105.89 1mg3 n GLY 49 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1mg3 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mg3 s THR 50 N -2.03 2.78 -0.13 2.61 -4.23 -0.89 -4.94 115.64 108.81 1mg3 s THR 50 Ca 0.00 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1mg3 s THR 50 Cb 0.00 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 1mg3 s THR 50 CO 0.00 -0.13 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.31 1mg3 s LYS 51 N -5.04 3.38 -0.25 3.99 -0.14 0.19 -4.86 119.74 117.02 1mg3 s LYS 51 Ca 0.57 -0.62 -0.23 0.00 -1.36 0.00 0.00 55.97 54.33 1mg3 s LYS 51 Cb -0.11 -2.70 -0.01 0.00 -1.68 0.00 0.00 37.83 33.33 1mg3 s LYS 51 CO 0.43 0.28 0.75 -1.17 -0.76 0.00 0.00 175.35 174.88 1mg3 s LEU 52 N 0.21 4.07 0.60 3.17 2.96 -1.26 0.50 118.68 128.93 1mg3 s LEU 52 Ca -0.06 0.91 -0.15 0.00 -0.22 0.00 0.00 54.13 54.61 1mg3 s LEU 52 Cb -0.15 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 1mg3 s LEU 52 CO 0.04 -0.46 1.05 0.00 -1.32 0.00 0.00 176.35 175.67 1mg3 s ALA 53 N 2.71 2.75 -0.28 5.97 0.00 -0.84 -3.86 121.76 128.22 1mg3 s ALA 53 Ca 0.31 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 1mg3 s ALA 53 Cb -0.15 -3.22 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1mg3 s ALA 53 CO 0.08 -0.83 -0.33 0.25 0.00 0.00 0.00 175.76 174.92 1mg3 n THR 54 N -2.15 1.52 -1.96 0.00 -2.24 -0.82 -4.76 114.28 103.87 1mg3 n THR 54 Ca 0.08 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1mg3 n THR 54 Cb 0.53 -1.78 0.07 0.00 -2.10 0.00 0.00 70.33 67.05 1mg3 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg3 s ALA 55 N -2.51 2.80 0.00 6.98 0.00 -1.13 -4.99 121.76 122.91 1mg3 s ALA 55 Ca -0.38 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1mg3 s ALA 55 Cb 0.14 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1mg3 s ALA 55 CO 0.51 -1.47 0.00 -1.13 0.00 0.00 0.00 175.76 173.68 1mg3 n SER 56 N -3.16 0.00 -3.31 0.00 3.41 -1.26 -4.64 113.62 104.66 1mg3 n SER 56 Ca 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1mg3 n SER 56 Cb 0.60 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1mg3 n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1mg3 s VAL 58 N 0.00 0.00 -0.21 -3.33 -7.23 -0.98 -4.91 120.40 103.74 1mg3 s VAL 58 Ca 0.00 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.25 1mg3 s VAL 58 Cb 0.00 -2.91 0.15 0.00 0.56 0.00 0.00 36.38 34.18 1mg3 s VAL 58 CO 0.00 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 175.91 1mg3 s ALA 59 N -2.16 -2.00 -0.43 1.32 0.00 -0.97 -4.64 121.76 112.88 1mg3 s ALA 59 Ca 0.21 1.70 -0.20 0.00 0.00 0.00 0.00 51.96 53.67 1mg3 s ALA 59 Cb -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1mg3 s ALA 59 CO 0.06 -0.28 0.61 0.45 0.00 0.00 0.00 175.76 176.60 1mg3 s SER 60 N -0.97 6.31 -0.14 0.00 0.15 -1.26 -0.77 113.70 117.01 1mg3 s SER 60 Ca 0.02 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 1mg3 s SER 60 Cb -0.01 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1mg3 s SER 60 CO -0.02 -0.74 0.05 0.00 1.20 0.00 0.00 173.24 173.73 1mg3 s TYR 62 N -0.24 3.67 -0.47 0.00 5.04 -1.26 -0.85 117.35 123.24 1mg3 s TYR 62 Ca 0.08 1.51 -0.14 0.00 -2.44 0.00 0.00 57.07 56.08 1mg3 s TYR 62 Cb -0.12 -2.94 0.09 0.00 0.35 0.00 0.00 41.96 39.34 1mg3 s TYR 62 CO 0.02 0.12 0.38 1.21 -1.34 0.00 0.00 175.55 175.94 1mg3 s ASN 63 N 0.56 6.03 0.64 4.32 3.84 0.95 -4.84 114.94 126.43 1mg3 s ASN 63 Ca 0.44 -1.47 0.35 0.00 0.21 0.00 0.00 52.86 52.38 1mg3 s ASN 63 Cb -0.20 -2.14 1.94 0.00 -0.55 0.00 0.00 41.25 40.30 1mg3 s ASN 63 CO 0.24 -0.66 2.15 1.55 -2.79 0.00 0.00 177.10 177.59 1mg3 h PRO 64 N 8.69 0.00 0.13 0.43 0.13 -1.89 0.29 132.00 139.79 1mg3 h PRO 64 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1mg3 h PRO 64 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mg3 h PRO 64 CO 0.88 0.00 -0.06 1.15 -0.23 0.00 0.00 178.00 179.74 1mg3 h THR 65 N 0.00 1.04 -0.24 1.56 2.02 -1.94 -3.35 112.91 112.00 1mg3 h THR 65 Ca 0.03 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1mg3 h THR 65 Cb 0.35 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1mg3 h THR 65 CO -0.00 0.19 0.00 -0.90 0.37 0.00 0.00 175.52 175.18 1mg3 n ASP 66 N -4.99 2.60 -0.05 4.18 5.68 -1.05 -4.98 116.55 117.94 1mg3 n ASP 66 Ca -0.09 -1.84 -0.01 0.00 -0.50 0.00 0.00 54.79 52.36 1mg3 n ASP 66 Cb 0.23 -0.16 -0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1mg3 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg3 n GLY 67 N 0.51 0.15 3.98 6.12 0.00 0.10 -4.98 105.19 111.07 1mg3 n GLY 67 Ca 0.10 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1mg3 n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mg3 s GLN 68 N -1.69 3.19 -0.10 1.61 -1.52 -1.23 -4.84 119.66 115.10 1mg3 s GLN 68 Ca 0.00 -0.87 0.03 0.00 -1.95 0.00 0.00 55.36 52.57 1mg3 s GLN 68 Cb 0.00 -2.80 -0.01 0.00 -0.22 0.00 0.00 33.01 29.98 1mg3 s GLN 68 CO 0.00 0.10 -0.19 -1.12 -0.25 0.00 0.00 175.29 173.83 1mg3 s SER 69 N -4.13 3.52 0.18 5.90 0.01 -1.26 -0.04 113.70 117.88 1mg3 s SER 69 Ca 0.43 -0.43 0.11 0.00 1.31 0.00 0.00 55.95 57.37 1mg3 s SER 69 Cb -0.09 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 1mg3 s SER 69 CO 0.32 0.19 -0.23 -0.31 0.41 0.00 0.00 173.24 173.62 1mg3 s TYR 70 N 0.16 2.34 -0.27 2.43 1.51 -0.03 -0.03 117.35 123.47 1mg3 s TYR 70 Ca -0.11 -0.35 -0.20 0.00 -1.01 0.00 0.00 57.07 55.40 1mg3 s TYR 70 Cb -0.16 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1mg3 s TYR 70 CO 0.06 0.47 0.63 -1.17 -1.11 0.00 0.00 175.55 174.43 1mg3 s LEU 71 N -2.56 4.08 -0.19 -1.29 2.96 0.16 -0.51 118.68 121.32 1mg3 s LEU 71 Ca 0.20 0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 54.66 1mg3 s LEU 71 Cb -0.08 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.71 1mg3 s LEU 71 CO 0.10 -0.40 0.12 -0.63 -1.32 0.00 0.00 176.35 174.22 1mg3 s ILE 72 N 2.54 5.36 -0.56 6.68 -1.09 0.05 -1.01 121.20 133.16 1mg3 s ILE 72 Ca 0.26 0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.72 1mg3 s ILE 72 Cb -0.15 -3.43 0.14 0.00 -1.58 0.00 0.00 42.46 37.44 1mg3 s ILE 72 CO 0.09 0.46 0.49 0.00 -1.23 0.00 0.00 174.94 174.75 1mg3 s ALA 73 N 0.21 3.63 -1.17 9.38 0.00 -0.79 -2.28 121.76 130.73 1mg3 s ALA 73 Ca 0.08 -2.69 -0.20 0.00 0.00 0.00 0.00 51.96 49.15 1mg3 s ALA 73 Cb -0.11 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1mg3 s ALA 73 CO -0.01 -2.02 1.91 0.66 0.00 0.00 0.00 175.76 176.29 1mg3 n TYR 74 N 4.85 3.20 -2.80 0.00 4.01 -1.26 -4.20 117.16 120.97 1mg3 n TYR 74 Ca -0.07 -2.07 -0.37 0.00 -0.16 0.00 0.00 57.90 55.23 1mg3 n TYR 74 Cb 0.41 -2.45 -0.06 0.00 -0.31 0.00 0.00 39.34 36.93 1mg3 n TYR 74 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1mg3 s ARG 75 N 5.23 4.60 0.14 -0.72 0.52 -1.25 -4.77 118.95 122.69 1mg3 s ARG 75 Ca 0.60 1.32 -0.03 0.00 -0.52 0.00 0.00 55.73 57.10 1mg3 s ARG 75 Cb 0.05 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 1mg3 s ARG 75 CO 0.09 0.32 0.35 -0.51 0.02 0.00 0.00 175.30 175.57 1mg3 s ASP 76 N -1.56 6.44 -0.24 0.23 1.01 -1.07 -2.01 116.67 119.47 1mg3 s ASP 76 Ca 0.48 0.48 -0.10 0.00 0.71 0.00 0.00 52.55 54.13 1mg3 s ASP 76 Cb -0.19 -2.05 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1mg3 s ASP 76 CO 0.25 0.05 0.14 0.00 0.21 0.00 0.00 175.17 175.82 1mg3 n GLY 79 N -1.04 0.79 3.13 0.00 0.00 -0.86 0.55 105.19 107.76 1mg3 n GLY 79 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1mg3 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mg3 s TYR 80 N -2.10 0.83 0.54 1.61 1.51 -1.26 -4.97 117.35 113.52 1mg3 s TYR 80 Ca 0.00 -0.71 -0.18 0.00 -1.01 0.00 0.00 57.07 55.16 1mg3 s TYR 80 Cb 0.00 -0.48 -0.06 0.00 -0.11 0.00 0.00 41.96 41.31 1mg3 s TYR 80 CO 0.00 -0.10 1.08 1.21 -1.11 0.00 0.00 175.55 176.63 1mg3 s ASN 81 N -2.38 5.90 -0.01 2.29 2.47 -1.26 -3.63 114.94 118.33 1mg3 s ASN 81 Ca 0.02 1.99 -0.40 0.00 0.42 0.00 0.00 52.86 54.89 1mg3 s ASN 81 Cb -0.02 -2.56 -0.20 0.00 -1.45 0.00 0.00 41.25 37.03 1mg3 s ASN 81 CO -0.02 -1.09 1.13 0.52 -3.72 0.00 0.00 177.10 173.92 1mg3 n VAL 82 N -1.44 0.00 -0.28 -5.21 0.31 -0.92 -4.60 118.33 106.18 1mg3 n VAL 82 Ca 0.10 -0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.49 1mg3 n VAL 82 Cb 0.52 -0.14 0.29 0.00 -0.91 0.00 0.00 33.84 33.60 1mg3 n VAL 82 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1mg3 h SER 83 N 3.31 0.81 0.00 4.52 4.64 -1.63 -3.46 113.55 121.75 1mg3 h SER 83 Ca -0.50 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1mg3 h SER 83 Cb 1.41 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1mg3 h SER 83 CO 0.68 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 1mg3 n GLY 84 N -1.41 0.74 3.54 -0.77 0.00 -1.26 -5.00 105.19 101.03 1mg3 n GLY 84 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1mg3 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mg3 s ARG 85 N -0.18 2.95 -0.84 1.61 1.81 -1.26 -4.78 118.95 118.27 1mg3 s ARG 85 Ca 0.00 -0.57 -0.03 0.00 -1.72 0.00 0.00 55.73 53.41 1mg3 s ARG 85 Cb 0.00 -2.63 -0.01 0.00 -0.45 0.00 0.00 34.95 31.86 1mg3 s ARG 85 CO 0.00 0.54 0.70 0.00 -0.68 0.00 0.00 175.30 175.86 1mg3 s PRO 87 N -4.05 4.32 0.01 0.00 0.04 -1.26 -1.82 135.00 132.24 1mg3 s PRO 87 Ca 0.09 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 1mg3 s PRO 87 Cb -0.03 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1mg3 s PRO 87 CO 0.81 0.36 0.26 0.00 0.04 0.00 0.00 177.00 178.47 1mg3 s LEU 89 N -1.58 -0.38 0.21 0.00 2.96 -1.25 -1.16 118.68 117.48 1mg3 s LEU 89 Ca -0.11 -0.49 0.11 0.00 -0.22 0.00 0.00 54.13 53.42 1mg3 s LEU 89 Cb -0.04 0.68 -0.05 0.00 0.50 0.00 0.00 46.19 47.28 1mg3 s LEU 89 CO 0.01 -0.36 -0.23 0.20 -1.32 0.00 0.00 176.35 174.65 1mg3 s ASN 90 N 2.41 3.40 -0.17 3.68 0.01 -0.22 -5.00 114.94 119.06 1mg3 s ASN 90 Ca 0.10 -0.90 0.23 0.00 -0.71 0.00 0.00 52.86 51.57 1mg3 s ASN 90 Cb -0.14 -0.26 0.46 0.00 0.41 0.00 0.00 41.25 41.72 1mg3 s ASN 90 CO -0.28 0.09 1.15 0.35 -1.51 0.00 0.00 177.10 176.91 1mg3 n THR 91 N 0.06 0.72 -1.61 1.60 -2.24 -1.17 -3.75 114.28 107.89 1mg3 n THR 91 Ca -0.11 -2.05 -0.43 0.00 -2.27 0.00 0.00 64.05 59.20 1mg3 n THR 91 Cb 0.57 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 1mg3 n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mg3 n GLU 92 N -0.27 2.14 -1.01 -0.78 -0.58 -0.25 -1.21 120.64 118.69 1mg3 n GLU 92 Ca 0.04 0.63 -0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1mg3 n GLU 92 Cb 0.92 -3.20 -0.00 0.00 -0.57 0.00 0.00 31.44 28.59 1mg3 n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mg3 n GLY 93 N 5.54 0.39 3.68 0.62 0.00 -1.26 -4.73 105.19 109.43 1mg3 n GLY 93 Ca 0.28 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1mg3 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg3 s GLU 94 N -0.63 4.27 0.23 1.61 -6.30 -0.35 -4.97 118.70 112.57 1mg3 s GLU 94 Ca 0.00 1.86 0.06 0.00 -2.50 0.00 0.00 54.97 54.39 1mg3 s GLU 94 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 34.13 30.42 1mg3 s GLU 94 CO 0.00 -0.62 0.21 -0.51 0.02 0.00 0.00 175.26 174.35 1mg3 s LEU 95 N 2.88 3.88 1.01 2.70 1.02 -1.00 -5.01 118.68 124.15 1mg3 s LEU 95 Ca 0.61 -0.18 -0.13 0.00 0.02 0.00 0.00 54.13 54.45 1mg3 s LEU 95 Cb -0.28 -2.43 0.12 0.00 0.02 0.00 0.00 46.19 43.62 1mg3 s LEU 95 CO 0.23 -0.02 0.62 -2.65 0.02 0.00 0.00 176.35 174.55 1mg3 n PRO 96 N -1.03 -0.88 0.30 1.29 -0.02 -1.26 -3.86 135.00 129.53 1mg3 n PRO 96 Ca -0.08 -0.22 0.18 0.00 -2.02 0.00 0.00 63.50 61.36 1mg3 n PRO 96 Cb 0.57 -2.01 0.91 0.00 -0.02 0.00 0.00 33.50 32.94 1mg3 n PRO 96 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1mg3 h VAL 97 N -1.91 0.10 0.00 -1.45 3.04 -1.97 -0.14 116.25 113.93 1mg3 h VAL 97 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1mg3 h VAL 97 Cb 1.30 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1mg3 h VAL 97 CO 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.95 1mg3 n TYR 98 N -3.14 0.00 -2.95 3.17 0.18 -1.26 -2.69 117.16 110.48 1mg3 n TYR 98 Ca -0.01 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.57 1mg3 n TYR 98 Cb 0.32 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.27 1mg3 n TYR 98 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1mg3 n ARG 99 N -0.84 1.90 -0.34 -3.48 5.12 -0.07 -4.99 116.66 113.96 1mg3 n ARG 99 Ca 0.15 -3.89 0.21 0.00 -1.93 0.00 0.00 57.85 52.39 1mg3 n ARG 99 Cb 0.07 -1.83 0.40 0.00 -1.16 0.00 0.00 32.46 29.93 1mg3 n ARG 99 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1mg3 h PRO 100 N 2.95 0.00 0.00 5.56 0.13 -1.65 -0.87 132.00 138.11 1mg3 h PRO 100 Ca 0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1mg3 h PRO 100 Cb 0.88 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1mg3 h PRO 100 CO 0.63 0.00 0.55 1.05 -0.23 0.00 0.00 178.00 180.00 1mg3 h GLU 101 N 0.00 0.00 0.00 0.86 9.09 -1.91 0.59 114.58 123.21 1mg3 h GLU 101 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 1mg3 h GLU 101 Cb 1.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.69 1mg3 h GLU 101 CO -0.88 0.00 -0.04 1.19 0.05 0.00 0.00 179.01 179.33 1mg3 n PHE 102 N -2.58 0.00 -3.34 2.06 3.72 -0.34 -2.31 117.46 114.68 1mg3 n PHE 102 Ca -0.01 -0.35 -0.38 0.00 -0.05 0.00 0.00 57.45 56.66 1mg3 n PHE 102 Cb 0.58 -0.04 -0.07 0.00 -0.94 0.00 0.00 39.48 39.01 1mg3 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mg3 s ALA 103 N -0.79 3.53 -0.20 4.37 0.00 0.20 -2.38 121.76 126.48 1mg3 s ALA 103 Ca 0.03 -0.38 0.16 0.00 0.00 0.00 0.00 51.96 51.77 1mg3 s ALA 103 Cb 0.03 -2.67 0.58 0.00 0.00 0.00 0.00 23.12 21.06 1mg3 s ALA 103 CO 0.00 -0.21 1.49 0.27 0.00 0.00 0.00 175.76 177.31 1mg3 n ASN 104 N 4.23 4.10 0.01 0.00 2.04 -1.26 -4.24 115.26 120.14 1mg3 n ASN 104 Ca -0.07 -3.06 0.11 0.00 -0.44 0.00 0.00 54.58 51.11 1mg3 n ASN 104 Cb 0.51 -0.58 -0.03 0.00 -2.53 0.00 0.00 39.78 37.15 1mg3 n ASN 104 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1mg3 n ASP 105 N -0.38 0.70 -4.77 0.53 8.00 -1.26 -4.71 116.55 114.65 1mg3 n ASP 105 Ca 0.24 -0.54 -0.38 0.00 0.71 0.00 0.00 54.79 54.81 1mg3 n ASP 105 Cb 0.97 0.95 -0.05 0.00 -0.02 0.00 0.00 41.12 42.96 1mg3 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mg3 s ILE 106 N -3.12 3.77 -0.79 0.53 1.01 -1.26 -4.97 121.20 116.37 1mg3 s ILE 106 Ca 0.05 1.53 -0.23 0.00 0.00 0.00 0.00 60.65 62.00 1mg3 s ILE 106 Cb 0.15 -3.87 0.07 0.00 0.01 0.00 0.00 42.46 38.82 1mg3 s ILE 106 CO 0.83 0.17 1.16 -0.63 0.00 0.00 0.00 174.94 176.47 1mg3 s ILE 107 N -1.47 4.18 -1.32 2.92 -1.09 -1.26 -4.92 121.20 118.23 1mg3 s ILE 107 Ca 0.51 -0.46 -0.16 0.00 -2.23 0.00 0.00 60.65 58.31 1mg3 s ILE 107 Cb -0.25 -4.83 0.01 0.00 -1.58 0.00 0.00 42.46 35.82 1mg3 s ILE 107 CO 0.31 -1.65 2.08 0.79 -1.23 0.00 0.00 174.94 175.24 1mg3 n TRP 108 N 8.12 3.50 0.26 3.97 5.03 -1.26 -4.43 117.44 132.64 1mg3 n TRP 108 Ca 0.09 -2.74 0.03 0.00 3.03 0.00 0.00 57.50 57.92 1mg3 n TRP 108 Cb 0.48 -2.46 0.02 0.00 -1.03 0.00 0.00 31.31 28.32 1mg3 n TRP 108 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1mg3 n PHE 110 N 0.26 2.44 -0.06 0.00 3.72 -1.26 -1.95 117.46 120.61 1mg3 n PHE 110 Ca 0.04 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1mg3 n PHE 110 Cb 0.15 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.20 1mg3 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mg3 n GLY 111 N 1.73 1.74 3.76 1.37 0.00 -1.26 -1.94 105.19 110.59 1mg3 n GLY 111 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1mg3 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg3 s ALA 112 N -2.67 2.56 0.57 4.61 0.00 -0.82 -4.28 121.76 121.72 1mg3 s ALA 112 Ca 0.00 0.95 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 1mg3 s ALA 112 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1mg3 s ALA 112 CO 0.00 -1.11 1.30 -1.21 0.00 0.00 0.00 175.76 174.74 1mg3 s GLU 113 N -3.37 3.01 -1.91 0.00 8.01 -1.26 -2.61 118.70 120.57 1mg3 s GLU 113 Ca 0.76 2.08 0.00 0.00 0.01 0.00 0.00 54.97 57.82 1mg3 s GLU 113 Cb -0.29 -2.10 0.00 0.00 -4.31 0.00 0.00 34.13 27.43 1mg3 s GLU 113 CO 0.32 -1.25 0.00 -0.25 0.01 0.00 0.00 175.26 174.10 1mg3 n ASP 114 N -1.31 -5.20 -2.03 -0.19 10.43 -1.26 -2.81 116.55 114.19 1mg3 n ASP 114 Ca 0.12 0.44 -0.18 0.00 2.57 0.00 0.00 54.79 57.75 1mg3 n ASP 114 Cb 0.47 -4.28 -0.04 0.00 1.84 0.00 0.00 41.12 39.12 1mg3 n ASP 114 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1mg3 n ASP 115 N -0.93 -4.92 -4.67 -2.24 8.00 -1.07 -4.89 116.55 105.82 1mg3 n ASP 115 Ca -0.18 0.22 -0.47 0.00 0.71 0.00 0.00 54.79 55.08 1mg3 n ASP 115 Cb 0.60 -4.24 -0.04 0.00 -0.02 0.00 0.00 41.12 37.41 1mg3 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg3 n ALA 116 N -0.78 1.20 -0.34 2.24 0.00 -1.12 -4.87 120.51 116.84 1mg3 n ALA 116 Ca -0.19 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1mg3 n ALA 116 Cb 0.62 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1mg3 n ALA 116 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1mg3 n MET 117 N 3.79 1.06 -3.45 0.00 2.81 -1.26 -4.68 117.12 115.39 1mg3 n MET 117 Ca 0.18 -0.87 -0.38 0.00 -1.81 0.00 0.00 57.70 54.81 1mg3 n MET 117 Cb 0.28 -0.83 -0.06 0.00 -0.71 0.00 0.00 33.22 31.90 1mg3 n MET 117 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1mg3 s THR 118 N -0.43 4.96 0.04 2.03 -4.23 -1.26 -4.91 115.64 111.83 1mg3 s THR 118 Ca 0.00 0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 61.15 1mg3 s THR 118 Cb 0.00 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 1mg3 s THR 118 CO 0.00 0.56 0.87 -0.47 -0.54 0.00 0.00 174.62 175.04 1mg3 s TYR 119 N -1.11 3.72 0.02 3.99 5.04 -1.26 -2.02 117.35 125.73 1mg3 s TYR 119 Ca 0.26 1.59 -0.01 0.00 -2.44 0.00 0.00 57.07 56.47 1mg3 s TYR 119 Cb -0.17 -2.96 -0.00 0.00 0.35 0.00 0.00 41.96 39.17 1mg3 s TYR 119 CO 0.15 0.15 -0.02 1.58 -1.34 0.00 0.00 175.55 176.08 1mg3 n HIS 120 N 3.23 0.00 -3.80 4.97 -0.00 -0.88 -2.17 115.22 116.57 1mg3 n HIS 120 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.69 1mg3 n HIS 120 Cb 0.50 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.99 30.45 1mg3 n HIS 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mg3 s THR 122 N -2.99 1.24 0.29 0.00 2.01 0.39 -0.52 115.64 116.07 1mg3 s THR 122 Ca 0.15 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1mg3 s THR 122 Cb -0.02 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 1mg3 s THR 122 CO 0.04 0.27 0.40 0.27 -0.69 0.00 0.00 174.62 174.92 1mg3 s ILE 123 N -0.49 4.58 -0.53 1.82 -4.36 -0.85 -2.93 121.20 118.44 1mg3 s ILE 123 Ca 0.05 -1.02 0.07 0.00 -0.26 0.00 0.00 60.65 59.49 1mg3 s ILE 123 Cb -0.07 -3.60 0.30 0.00 1.25 0.00 0.00 42.46 40.35 1mg3 s ILE 123 CO -0.00 -0.24 0.79 -1.20 0.24 0.00 0.00 174.94 174.53 1mg3 n SER 124 N -1.51 2.95 -4.81 4.36 7.64 -0.53 -3.92 113.62 117.80 1mg3 n SER 124 Ca -0.04 -3.34 -0.34 0.00 1.01 0.00 0.00 58.87 56.15 1mg3 n SER 124 Cb 0.58 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 63.09 1mg3 n SER 124 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mg3 s PRO 125 N -2.66 4.29 -0.09 1.43 0.04 -1.26 -4.83 135.00 131.91 1mg3 s PRO 125 Ca 0.43 1.11 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 1mg3 s PRO 125 Cb 0.24 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1mg3 s PRO 125 CO -0.09 0.08 0.46 0.42 0.04 0.00 0.00 177.00 177.92 1mg3 s ILE 126 N -2.00 5.14 -0.36 0.56 1.01 -1.26 -1.89 121.20 122.40 1mg3 s ILE 126 Ca 0.58 0.93 0.03 0.00 0.00 0.00 0.00 60.65 62.19 1mg3 s ILE 126 Cb -0.12 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.62 1mg3 s ILE 126 CO 0.16 0.38 0.84 1.33 0.00 0.00 0.00 174.94 177.65 1mg3 n VAL 127 N 3.26 0.48 0.00 2.92 0.24 -0.18 -4.95 118.33 120.10 1mg3 n VAL 127 Ca -0.09 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1mg3 n VAL 127 Cb 0.52 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 1mg3 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mg3 n GLY 128 N 0.01 1.34 3.87 7.63 0.00 -1.24 -4.96 105.19 111.84 1mg3 n GLY 128 Ca 0.03 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1mg3 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mg3 s LYS 129 N -1.94 3.83 0.00 1.61 1.02 -1.26 0.37 119.74 123.36 1mg3 s LYS 129 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1mg3 s LYS 129 Cb 0.00 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1mg3 s LYS 129 CO 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 175.35 174.56 1mg3 n ALA 130 N -0.73 0.00 1.22 5.17 0.00 0.95 -4.57 120.51 122.55 1mg3 n ALA 130 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1mg3 n ALA 130 Cb 0.53 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.27 1mg3 n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93