#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 6.41 0.36 3.42 3.68 -1.26 -4.96 116.67 124.32 1mg3 s ASP 8 Ca 0.00 0.32 0.09 0.00 2.13 0.00 0.00 52.55 55.08 1mg3 s ASP 8 Cb 0.00 -2.29 0.69 0.00 -1.45 0.00 0.00 42.92 39.87 1mg3 s ASP 8 CO 0.00 -0.40 1.86 1.55 0.13 0.00 0.00 175.17 178.31 1mg3 h PRO 9 N 8.21 0.24 0.00 4.34 0.13 -2.05 -3.03 132.00 139.84 1mg3 h PRO 9 Ca -0.28 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1mg3 h PRO 9 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mg3 h PRO 9 CO 0.76 0.44 -0.30 0.00 -0.23 0.00 0.00 178.00 178.67 1mg3 h ARG 10 N 0.22 0.00 -7.16 0.86 3.08 -2.05 -3.47 114.38 105.86 1mg3 h ARG 10 Ca 0.04 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.57 1mg3 h ARG 10 Cb 0.49 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.67 1mg3 h ARG 10 CO 0.03 0.00 0.41 0.00 -1.07 0.00 0.00 179.97 179.34 1mg3 s ALA 11 N -3.18 2.36 0.45 0.04 0.00 -1.15 -4.94 121.76 115.35 1mg3 s ALA 11 Ca 0.07 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 1mg3 s ALA 11 Cb 0.10 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1mg3 s ALA 11 CO 0.67 -1.46 0.94 1.17 0.00 0.00 0.00 175.76 177.09 1mg3 n LYS 12 N -2.29 1.19 -2.41 0.00 4.81 -1.26 -4.90 118.16 113.30 1mg3 n LYS 12 Ca 0.12 0.43 -0.42 0.00 -0.87 0.00 0.00 58.31 57.57 1mg3 n LYS 12 Cb 0.51 -2.00 -0.03 0.00 0.02 0.00 0.00 35.03 33.53 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 -1.35 3.11 -0.40 5.64 -0.00 -1.26 -5.00 118.94 119.68 1mg3 s TRP 13 Ca 0.65 1.13 -0.03 0.00 -0.00 0.00 0.00 56.10 57.85 1mg3 s TRP 13 Cb -0.53 -3.47 0.11 0.00 -0.00 0.00 0.00 33.47 29.57 1mg3 s TRP 13 CO 0.55 -1.55 0.20 0.08 -0.00 0.00 0.00 176.95 176.23 1mg3 s VAL 14 N 2.30 3.34 0.56 5.86 1.01 -1.26 -5.10 120.40 127.11 1mg3 s VAL 14 Ca 0.57 -1.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1mg3 s VAL 14 Cb -0.26 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1mg3 s VAL 14 CO 0.23 -0.65 1.16 -2.16 0.00 0.00 0.00 175.10 173.67 1mg3 s PRO 15 N 1.17 3.22 0.08 2.72 0.04 -1.26 -4.89 135.00 136.08 1mg3 s PRO 15 Ca 0.07 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.83 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 -0.04 -0.97 -0.08 1.14 0.04 0.00 0.00 177.00 177.09 1mg3 s GLN 16 N -3.30 0.72 -0.45 4.56 1.03 0.04 -4.85 119.66 117.41 1mg3 s GLN 16 Ca 0.74 -1.06 0.08 0.00 0.04 0.00 0.00 55.36 55.17 1mg3 s GLN 16 Cb -0.26 -0.35 0.39 0.00 0.03 0.00 0.00 33.01 32.82 1mg3 s GLN 16 CO 0.29 0.04 0.98 -3.47 -2.54 0.00 0.00 175.29 170.60 1mg3 n ASP 17 N 0.73 3.57 0.00 12.60 2.03 -1.26 -0.61 116.55 133.62 1mg3 n ASP 17 Ca -0.18 -3.45 0.00 0.00 0.52 0.00 0.00 54.79 51.69 1mg3 n ASP 17 Cb 0.57 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.24 0.00 -3.19 1.67 0.23 -1.26 -5.05 115.26 107.42 1mg3 n ASN 18 Ca 0.30 -0.90 0.01 0.00 -0.53 0.00 0.00 54.58 53.45 1mg3 n ASN 18 Cb 0.60 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.28 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 -1.05 0.00 0.53 -1.08 -1.26 -5.03 116.67 108.78 1mg3 s ASP 19 Ca 0.00 0.26 0.22 0.00 -0.52 0.00 0.00 52.55 52.51 1mg3 s ASP 19 Cb 0.00 1.83 1.22 0.00 -1.46 0.00 0.00 42.92 44.50 1mg3 s ASP 19 CO 0.00 -0.30 1.69 2.30 0.52 0.00 0.00 175.17 179.38 1mg3 n ILE 20 N 5.41 0.14 0.92 4.11 -5.35 -1.26 -2.67 119.36 120.66 1mg3 n ILE 20 Ca 0.02 0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.66 1mg3 n ILE 20 Cb 0.52 -0.69 0.17 0.00 -1.74 0.00 0.00 39.64 37.90 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 -1.11 2.28 -3.88 6.28 6.02 -1.26 -4.90 117.38 120.80 1mg3 n GLN 21 Ca 0.14 -1.88 -0.32 0.00 -0.01 0.00 0.00 57.00 54.93 1mg3 n GLN 21 Cb 0.11 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.90 3.97 -0.31 -1.58 0.00 -1.09 -4.97 121.76 115.88 1mg3 s ALA 22 Ca 0.31 -0.78 0.27 0.00 0.00 0.00 0.00 51.96 51.76 1mg3 s ALA 22 Cb 0.21 -1.89 1.10 0.00 0.00 0.00 0.00 23.12 22.54 1mg3 s ALA 22 CO 0.31 0.78 1.80 0.00 0.00 0.00 0.00 175.76 178.65 1mg3 n ASP 24 N -2.50 2.89 -4.73 0.00 5.75 -1.26 -4.80 116.55 111.90 1mg3 n ASP 24 Ca 0.02 -2.13 -0.42 0.00 -0.01 0.00 0.00 54.79 52.25 1mg3 n ASP 24 Cb 0.26 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.52 3.21 0.43 2.11 5.04 -1.02 -0.78 117.35 124.81 1mg3 s TYR 25 Ca 0.33 1.04 0.21 0.00 -2.44 0.00 0.00 57.07 56.21 1mg3 s TYR 25 Cb 0.19 -3.69 1.17 0.00 0.35 0.00 0.00 41.96 39.98 1mg3 s TYR 25 CO 0.19 -2.30 1.80 0.11 -1.34 0.00 0.00 175.55 174.01 1mg3 h TRP 26 N 6.03 0.52 0.00 4.97 5.08 -1.19 -0.92 115.95 130.44 1mg3 h TRP 26 Ca -0.44 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1mg3 h TRP 26 Cb 1.21 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1mg3 h TRP 26 CO 0.64 0.07 0.00 0.54 -1.28 0.00 0.00 178.44 178.41 1mg3 n ARG 27 N -4.53 0.14 -0.35 0.12 5.12 -1.26 -3.19 116.66 112.72 1mg3 n ARG 27 Ca 0.24 0.06 0.08 0.00 -1.93 0.00 0.00 57.85 56.30 1mg3 n ARG 27 Cb 0.88 -1.50 0.25 0.00 -1.16 0.00 0.00 32.46 30.93 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 -1.42 0.88 0.20 -1.55 8.25 -0.35 -4.60 115.22 116.63 1mg3 n HIS 28 Ca 0.08 -0.40 0.07 0.00 -0.26 0.00 0.00 57.72 57.22 1mg3 n HIS 28 Cb 0.26 -0.08 0.40 0.00 1.12 0.00 0.00 29.99 31.69 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 -2.19 0.72 -4.85 0.00 2.88 -1.26 -1.08 113.62 107.84 1mg3 n SER 30 Ca -0.01 -2.05 -0.34 0.00 -1.33 0.00 0.00 58.87 55.15 1mg3 n SER 30 Cb 0.39 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.94 4.76 -0.06 2.46 2.07 -0.69 -4.83 121.20 122.98 1mg3 s ILE 31 Ca 0.24 0.87 0.00 0.00 -1.41 0.00 0.00 60.65 60.34 1mg3 s ILE 31 Cb 0.33 -3.69 0.02 0.00 0.13 0.00 0.00 42.46 39.25 1mg3 s ILE 31 CO -0.08 0.03 -0.03 -0.62 -1.91 0.00 0.00 174.94 172.33 1mg3 s ASP 32 N -2.03 1.29 0.00 4.50 2.15 -1.26 -1.04 116.67 120.28 1mg3 s ASP 32 Ca 0.46 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.31 1mg3 s ASP 32 Cb -0.13 -0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1mg3 s ASP 32 CO 0.19 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.69 1mg3 n GLY 33 N 4.53 0.14 3.15 2.66 0.00 -0.32 -4.78 105.19 110.56 1mg3 n GLY 33 Ca -0.17 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 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 1.71 -0.44 1.61 0.01 -1.26 -0.21 114.94 112.36 1mg3 s ASN 34 Ca 0.00 -0.48 -0.29 0.00 -0.71 0.00 0.00 52.86 51.38 1mg3 s ASN 34 Cb 0.00 -0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.58 1mg3 s ASN 34 CO 0.00 0.03 1.24 -0.63 -1.51 0.00 0.00 177.10 176.22 1mg3 s ILE 35 N -0.89 4.12 0.36 0.60 1.01 -0.70 -0.45 121.20 125.25 1mg3 s ILE 35 Ca 0.02 1.16 0.16 0.00 0.00 0.00 0.00 60.65 61.98 1mg3 s ILE 35 Cb -0.08 -4.43 0.36 0.00 0.01 0.00 0.00 42.46 38.31 1mg3 s ILE 35 CO 0.01 -0.86 1.70 0.00 0.00 0.00 0.00 174.94 175.79 1mg3 n ASP 37 N -4.86 0.00 -1.13 0.00 2.03 -1.25 -0.51 116.55 110.83 1mg3 n ASP 37 Ca 0.29 0.34 0.11 0.00 0.52 0.00 0.00 54.79 56.06 1mg3 n ASP 37 Cb 0.94 -0.34 0.21 0.00 -0.72 0.00 0.00 41.12 41.22 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 1.45 0.47 0.00 0.00 3.41 0.34 -4.87 113.62 114.41 1mg3 n SER 39 Ca 0.19 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1mg3 n SER 39 Cb 0.59 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.09 0.87 0.00 5.00 0.00 -1.21 -4.81 105.19 105.13 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 -0.81 1.65 3.37 -0.02 0.00 -0.90 -4.35 105.19 104.13 1mg3 n GLY 41 Ca 0.00 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 2.11 0.42 1.61 1.04 -0.03 -4.13 113.70 113.72 1mg3 s SER 42 Ca 0.00 -1.75 0.22 0.00 0.48 0.00 0.00 55.95 54.90 1mg3 s SER 42 Cb 0.00 0.57 1.21 0.00 0.10 0.00 0.00 66.02 67.90 1mg3 s SER 42 CO 0.00 -1.04 1.75 0.25 0.98 0.00 0.00 173.24 175.19 1mg3 h LEU 43 N 1.99 0.36 -2.41 2.42 6.46 -1.94 -2.79 115.31 119.40 1mg3 h LEU 43 Ca -0.28 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1mg3 h LEU 43 Cb 1.25 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1mg3 h LEU 43 CO 0.43 0.03 -0.05 0.35 -0.62 0.00 0.00 178.44 178.58 1mg3 n THR 44 N -4.58 0.81 -4.28 1.05 -2.24 -1.26 -1.42 114.28 102.35 1mg3 n THR 44 Ca 0.27 -0.88 -0.18 0.00 -2.27 0.00 0.00 64.05 60.99 1mg3 n THR 44 Cb 1.01 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.08 1.44 0.62 3.42 -0.87 -1.05 -4.89 114.94 112.53 1mg3 s ASN 45 Ca 0.06 -0.44 -0.15 0.00 -1.57 0.00 0.00 52.86 50.75 1mg3 s ASN 45 Cb 0.05 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.25 41.18 1mg3 s ASN 45 CO 0.01 -0.01 1.07 0.00 -2.57 0.00 0.00 177.10 175.60 1mg3 s PRO 47 N -4.14 3.64 0.23 0.00 0.02 -1.26 -4.51 135.00 128.97 1mg3 s PRO 47 Ca 0.64 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 1mg3 s PRO 47 Cb -0.17 -2.09 -0.15 0.00 0.02 0.00 0.00 34.50 32.11 1mg3 s PRO 47 CO 0.39 -0.53 1.07 -2.30 -0.33 0.00 0.00 177.00 175.30 1mg3 n PRO 48 N -2.25 1.20 0.00 5.54 -0.02 -1.26 -2.03 135.00 136.18 1mg3 n PRO 48 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1mg3 n PRO 48 Cb 0.54 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.68 2.83 3.93 -1.23 0.00 -1.26 -5.02 105.19 106.11 1mg3 n GLY 49 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.92 2.84 -0.13 2.61 -4.23 -0.86 -4.94 115.64 109.00 1mg3 s THR 50 Ca 0.00 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.29 1mg3 s THR 50 Cb 0.00 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 1mg3 s THR 50 CO 0.00 -0.18 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.27 1mg3 s LYS 51 N -5.10 3.45 -0.24 3.99 -0.14 0.21 -4.86 119.74 117.04 1mg3 s LYS 51 Ca 0.57 -0.62 -0.23 0.00 -1.36 0.00 0.00 55.97 54.34 1mg3 s LYS 51 Cb -0.11 -2.73 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 1mg3 s LYS 51 CO 0.44 0.26 0.76 -1.17 -0.76 0.00 0.00 175.35 174.88 1mg3 s LEU 52 N 0.27 4.08 0.62 3.17 2.96 -1.26 0.45 118.68 128.97 1mg3 s LEU 52 Ca -0.07 0.93 -0.15 0.00 -0.22 0.00 0.00 54.13 54.62 1mg3 s LEU 52 Cb -0.15 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.44 1mg3 s LEU 52 CO 0.04 -0.46 1.06 0.00 -1.32 0.00 0.00 176.35 175.67 1mg3 s ALA 53 N 2.71 2.72 -0.28 5.97 0.00 -0.83 -3.85 121.76 128.20 1mg3 s ALA 53 Ca 0.32 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 1mg3 s ALA 53 Cb -0.15 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 1mg3 s ALA 53 CO 0.08 -0.92 -0.35 0.25 0.00 0.00 0.00 175.76 174.82 1mg3 n THR 54 N -2.30 1.51 -1.84 0.00 -2.24 -0.80 -4.76 114.28 103.86 1mg3 n THR 54 Ca 0.08 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1mg3 n THR 54 Cb 0.53 -1.85 0.08 0.00 -2.10 0.00 0.00 70.33 67.00 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 -2.50 2.60 0.00 6.98 0.00 -1.13 -4.98 121.76 122.72 1mg3 s ALA 55 Ca -0.38 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1mg3 s ALA 55 Cb 0.14 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1mg3 s ALA 55 CO 0.49 -1.59 0.00 -1.13 0.00 0.00 0.00 175.76 173.53 1mg3 n SER 56 N -3.28 0.00 -3.23 0.00 3.41 -1.26 -4.64 113.62 104.61 1mg3 n SER 56 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.64 1mg3 n SER 56 Cb 0.59 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 -0.96 -4.91 120.40 103.75 1mg3 s VAL 58 Ca 0.00 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 1mg3 s VAL 58 Cb 0.00 -2.97 0.15 0.00 0.56 0.00 0.00 36.38 34.12 1mg3 s VAL 58 CO 0.00 0.00 1.13 0.00 -0.31 0.00 0.00 175.10 175.92 1mg3 s ALA 59 N -2.09 -2.01 -0.45 1.32 0.00 -0.94 -4.64 121.76 112.95 1mg3 s ALA 59 Ca 0.21 1.71 -0.20 0.00 0.00 0.00 0.00 51.96 53.68 1mg3 s ALA 59 Cb -0.03 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1mg3 s ALA 59 CO 0.07 -0.27 0.63 0.45 0.00 0.00 0.00 175.76 176.64 1mg3 s SER 60 N -0.94 6.30 -0.14 0.00 0.15 -1.26 -0.75 113.70 117.06 1mg3 s SER 60 Ca 0.02 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.19 1mg3 s SER 60 Cb -0.01 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1mg3 s SER 60 CO -0.03 -0.79 0.05 0.00 1.20 0.00 0.00 173.24 173.68 1mg3 s TYR 62 N -0.23 3.69 -0.47 0.00 5.04 -1.26 -0.90 117.35 123.22 1mg3 s TYR 62 Ca 0.07 1.51 -0.14 0.00 -2.44 0.00 0.00 57.07 56.07 1mg3 s TYR 62 Cb -0.12 -2.91 0.09 0.00 0.35 0.00 0.00 41.96 39.37 1mg3 s TYR 62 CO 0.02 0.16 0.38 1.21 -1.34 0.00 0.00 175.55 175.98 1mg3 s ASN 63 N 0.38 6.01 0.64 4.32 3.84 0.98 -4.84 114.94 126.27 1mg3 s ASN 63 Ca 0.42 -1.51 0.35 0.00 0.21 0.00 0.00 52.86 52.33 1mg3 s ASN 63 Cb -0.20 -2.13 1.93 0.00 -0.55 0.00 0.00 41.25 40.29 1mg3 s ASN 63 CO 0.24 -0.67 2.14 1.55 -2.79 0.00 0.00 177.10 177.57 1mg3 h PRO 64 N 8.68 0.00 0.16 0.43 0.13 -1.89 0.33 132.00 139.85 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 -0.08 1.15 -0.23 0.00 0.00 178.00 179.73 1mg3 h THR 65 N 0.00 0.97 -0.28 1.56 2.02 -1.94 -3.35 112.91 111.90 1mg3 h THR 65 Ca 0.03 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1mg3 h THR 65 Cb 0.37 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 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 -5.00 2.72 -0.03 4.18 5.68 -1.06 -4.98 116.55 118.07 1mg3 n ASP 66 Ca -0.09 -1.88 -0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1mg3 n ASP 66 Cb 0.25 -0.18 -0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 0.56 0.11 3.97 6.12 0.00 0.12 -4.97 105.19 111.09 1mg3 n GLY 67 Ca 0.11 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.72 3.17 -0.10 1.61 -1.52 -1.23 -4.83 119.66 115.04 1mg3 s GLN 68 Ca 0.00 -0.79 0.03 0.00 -1.95 0.00 0.00 55.36 52.65 1mg3 s GLN 68 Cb 0.00 -2.75 -0.01 0.00 -0.22 0.00 0.00 33.01 30.03 1mg3 s GLN 68 CO 0.00 0.03 -0.21 -1.12 -0.25 0.00 0.00 175.29 173.74 1mg3 s SER 69 N -4.15 3.38 0.17 5.90 0.01 -1.26 -0.01 113.70 117.73 1mg3 s SER 69 Ca 0.44 -0.47 0.11 0.00 1.31 0.00 0.00 55.95 57.33 1mg3 s SER 69 Cb -0.10 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 1mg3 s SER 69 CO 0.33 0.18 -0.22 -0.31 0.41 0.00 0.00 173.24 173.63 1mg3 s TYR 70 N 0.22 2.38 -0.26 2.43 1.51 -0.07 0.02 117.35 123.57 1mg3 s TYR 70 Ca -0.13 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.38 1mg3 s TYR 70 Cb -0.16 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1mg3 s TYR 70 CO 0.07 0.45 0.67 -1.17 -1.11 0.00 0.00 175.55 174.46 1mg3 s LEU 71 N -2.50 4.07 -0.19 -1.29 2.96 0.17 -0.60 118.68 121.30 1mg3 s LEU 71 Ca 0.20 0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 54.76 1mg3 s LEU 71 Cb -0.09 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 1mg3 s LEU 71 CO 0.10 -0.41 0.13 -0.63 -1.32 0.00 0.00 176.35 174.22 1mg3 s ILE 72 N 2.58 5.41 -0.58 6.68 -1.09 0.07 -1.04 121.20 133.23 1mg3 s ILE 72 Ca 0.28 0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.77 1mg3 s ILE 72 Cb -0.15 -3.45 0.15 0.00 -1.58 0.00 0.00 42.46 37.42 1mg3 s ILE 72 CO 0.09 0.47 0.50 0.00 -1.23 0.00 0.00 174.94 174.76 1mg3 s ALA 73 N 0.15 3.64 -1.14 9.38 0.00 -0.83 -2.22 121.76 130.74 1mg3 s ALA 73 Ca 0.09 -2.78 -0.21 0.00 0.00 0.00 0.00 51.96 49.06 1mg3 s ALA 73 Cb -0.11 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 1mg3 s ALA 73 CO -0.01 -2.04 1.91 0.66 0.00 0.00 0.00 175.76 176.28 1mg3 n TYR 74 N 4.68 3.01 -2.83 0.00 4.01 -1.26 -4.24 117.16 120.53 1mg3 n TYR 74 Ca -0.04 -1.92 -0.37 0.00 -0.16 0.00 0.00 57.90 55.42 1mg3 n TYR 74 Cb 0.42 -2.43 -0.06 0.00 -0.31 0.00 0.00 39.34 36.95 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 5.49 4.55 0.11 -0.72 0.52 -1.25 -4.77 118.95 122.88 1mg3 s ARG 75 Ca 0.62 1.27 -0.02 0.00 -0.52 0.00 0.00 55.73 57.07 1mg3 s ARG 75 Cb 0.04 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 32.61 1mg3 s ARG 75 CO 0.11 0.32 0.31 -0.51 0.02 0.00 0.00 175.30 175.54 1mg3 s ASP 76 N -1.58 6.43 -0.25 0.23 1.01 -1.09 -2.01 116.67 119.41 1mg3 s ASP 76 Ca 0.48 0.44 -0.10 0.00 0.71 0.00 0.00 52.55 54.08 1mg3 s ASP 76 Cb -0.19 -2.03 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 1mg3 s ASP 76 CO 0.24 0.09 0.16 0.00 0.21 0.00 0.00 175.17 175.87 1mg3 n GLY 79 N -1.07 0.78 3.11 0.00 0.00 -0.86 0.64 105.19 107.80 1mg3 n GLY 79 Ca -0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 0.75 0.53 1.61 1.51 -1.26 -4.96 117.35 113.54 1mg3 s TYR 80 Ca 0.00 -0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 55.14 1mg3 s TYR 80 Cb 0.00 -0.45 -0.06 0.00 -0.11 0.00 0.00 41.96 41.34 1mg3 s TYR 80 CO 0.00 -0.14 1.07 1.21 -1.11 0.00 0.00 175.55 176.58 1mg3 s ASN 81 N -2.34 5.99 0.02 2.29 2.47 -1.26 -3.67 114.94 118.43 1mg3 s ASN 81 Ca 0.01 1.97 -0.39 0.00 0.42 0.00 0.00 52.86 54.87 1mg3 s ASN 81 Cb -0.02 -2.56 -0.19 0.00 -1.45 0.00 0.00 41.25 37.03 1mg3 s ASN 81 CO -0.03 -1.03 1.09 0.52 -3.72 0.00 0.00 177.10 173.94 1mg3 n VAL 82 N -1.38 0.06 -0.30 -5.21 0.31 -0.92 -4.61 118.33 106.29 1mg3 n VAL 82 Ca 0.10 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.46 1mg3 n VAL 82 Cb 0.52 -0.12 0.25 0.00 -0.91 0.00 0.00 33.84 33.58 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 3.15 0.89 0.00 4.52 4.64 -1.61 -3.46 113.55 121.69 1mg3 h SER 83 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1mg3 h SER 83 Cb 1.42 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1mg3 h SER 83 CO 0.66 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.80 1mg3 n GLY 84 N -1.40 0.82 3.52 -0.77 0.00 -1.26 -5.01 105.19 101.10 1mg3 n GLY 84 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.09 2.92 -0.83 1.61 1.81 -1.26 -4.78 118.95 118.33 1mg3 s ARG 85 Ca 0.00 -0.59 -0.03 0.00 -1.72 0.00 0.00 55.73 53.39 1mg3 s ARG 85 Cb 0.00 -2.60 -0.00 0.00 -0.45 0.00 0.00 34.95 31.89 1mg3 s ARG 85 CO 0.00 0.54 0.69 0.00 -0.68 0.00 0.00 175.30 175.85 1mg3 s PRO 87 N -4.05 4.23 -0.00 0.00 0.04 -1.26 -1.72 135.00 132.24 1mg3 s PRO 87 Ca 0.08 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 1mg3 s PRO 87 Cb -0.02 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.87 1mg3 s PRO 87 CO 0.81 0.27 0.32 0.00 0.04 0.00 0.00 177.00 178.44 1mg3 s LEU 89 N -1.46 -0.26 0.20 0.00 2.96 -1.25 -1.18 118.68 117.70 1mg3 s LEU 89 Ca -0.12 -0.56 0.11 0.00 -0.22 0.00 0.00 54.13 53.34 1mg3 s LEU 89 Cb -0.04 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 47.15 1mg3 s LEU 89 CO 0.03 -0.37 -0.23 0.20 -1.32 0.00 0.00 176.35 174.67 1mg3 s ASN 90 N 2.37 3.35 -0.23 3.68 0.01 -0.20 -5.00 114.94 118.92 1mg3 s ASN 90 Ca 0.09 -0.89 0.22 0.00 -0.71 0.00 0.00 52.86 51.57 1mg3 s ASN 90 Cb -0.14 -0.25 0.48 0.00 0.41 0.00 0.00 41.25 41.75 1mg3 s ASN 90 CO -0.28 0.09 1.16 0.35 -1.51 0.00 0.00 177.10 176.92 1mg3 n THR 91 N 0.14 0.93 -1.73 1.60 -2.24 -1.17 -3.75 114.28 108.06 1mg3 n THR 91 Ca -0.11 -2.38 -0.43 0.00 -2.27 0.00 0.00 64.05 58.86 1mg3 n THR 91 Cb 0.57 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 1mg3 n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mg3 s GLU 92 N -2.77 3.37 -0.06 -0.78 0.41 -0.24 -1.42 118.70 117.21 1mg3 s GLU 92 Ca 0.25 1.98 0.00 0.00 -0.41 0.00 0.00 54.97 56.80 1mg3 s GLU 92 Cb 0.34 -4.28 0.00 0.00 -1.78 0.00 0.00 34.13 28.40 1mg3 s GLU 92 CO -0.07 -1.83 0.00 0.41 -0.49 0.00 0.00 175.26 173.28 1mg3 n GLY 93 N 5.43 0.42 3.68 -1.39 0.00 -1.26 -4.71 105.19 107.36 1mg3 n GLY 93 Ca 0.26 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.71 4.27 0.21 1.61 -6.30 -0.50 -4.97 118.70 112.31 1mg3 s GLU 94 Ca 0.00 1.84 0.06 0.00 -2.50 0.00 0.00 54.97 54.36 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 0.00 175.26 174.36 1mg3 s LEU 95 N 2.88 3.94 1.02 2.70 1.02 -0.99 -5.00 118.68 124.23 1mg3 s LEU 95 Ca 0.61 -0.12 -0.13 0.00 0.02 0.00 0.00 54.13 54.50 1mg3 s LEU 95 Cb -0.27 -2.50 0.12 0.00 0.02 0.00 0.00 46.19 43.55 1mg3 s LEU 95 CO 0.22 0.00 0.58 -2.65 0.02 0.00 0.00 176.35 174.53 1mg3 n PRO 96 N -0.86 -0.96 0.27 1.29 -0.02 -1.26 -3.85 135.00 129.60 1mg3 n PRO 96 Ca -0.08 -0.24 0.18 0.00 -2.02 0.00 0.00 63.50 61.34 1mg3 n PRO 96 Cb 0.56 -1.99 0.87 0.00 -0.02 0.00 0.00 33.50 32.92 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 -1.93 0.17 0.00 -1.45 3.04 -1.96 -0.66 116.25 113.46 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 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 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 -3.26 0.00 -2.98 3.17 0.18 -1.26 -2.61 117.16 110.40 1mg3 n TYR 98 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 1mg3 n TYR 98 Cb 0.36 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.30 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 -0.86 1.89 -0.34 -3.48 5.12 -0.25 -4.99 116.66 113.75 1mg3 n ARG 99 Ca 0.15 -3.90 0.20 0.00 -1.93 0.00 0.00 57.85 52.36 1mg3 n ARG 99 Cb 0.07 -1.85 0.38 0.00 -1.16 0.00 0.00 32.46 29.90 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 2.96 0.00 0.00 5.56 0.13 -1.65 -0.90 132.00 138.10 1mg3 h PRO 100 Ca 0.10 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1mg3 h PRO 100 Cb 0.86 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1mg3 h PRO 100 CO 0.63 0.00 0.54 1.05 -0.23 0.00 0.00 178.00 179.99 1mg3 h GLU 101 N 0.00 0.00 0.00 0.86 9.09 -1.91 0.76 114.58 123.38 1mg3 h GLU 101 Ca 0.68 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.09 1mg3 h GLU 101 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 1mg3 h GLU 101 CO -0.89 0.00 -0.04 1.19 0.05 0.00 0.00 179.01 179.32 1mg3 n PHE 102 N -2.57 0.00 -3.36 2.06 3.72 -0.35 -2.27 117.46 114.70 1mg3 n PHE 102 Ca -0.01 -0.36 -0.38 0.00 -0.05 0.00 0.00 57.45 56.65 1mg3 n PHE 102 Cb 0.57 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.82 3.53 -0.20 4.37 0.00 0.26 -2.36 121.76 126.54 1mg3 s ALA 103 Ca 0.04 -0.38 0.15 0.00 0.00 0.00 0.00 51.96 51.77 1mg3 s ALA 103 Cb 0.03 -2.64 0.58 0.00 0.00 0.00 0.00 23.12 21.10 1mg3 s ALA 103 CO 0.00 -0.17 1.49 0.27 0.00 0.00 0.00 175.76 177.36 1mg3 n ASN 104 N 4.13 4.08 0.00 0.00 2.04 -1.26 -4.25 115.26 120.00 1mg3 n ASN 104 Ca -0.08 -3.08 0.11 0.00 -0.44 0.00 0.00 54.58 51.09 1mg3 n ASN 104 Cb 0.51 -0.58 -0.05 0.00 -2.53 0.00 0.00 39.78 37.13 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 -0.39 0.72 -4.77 0.53 8.00 -1.26 -4.71 116.55 114.66 1mg3 n ASP 105 Ca 0.24 -0.60 -0.38 0.00 0.71 0.00 0.00 54.79 54.77 1mg3 n ASP 105 Cb 0.97 0.99 -0.05 0.00 -0.02 0.00 0.00 41.12 43.02 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 -3.11 3.77 -0.80 0.53 1.01 -1.26 -4.97 121.20 116.36 1mg3 s ILE 106 Ca 0.05 1.51 -0.23 0.00 0.00 0.00 0.00 60.65 61.98 1mg3 s ILE 106 Cb 0.16 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.84 1mg3 s ILE 106 CO 0.84 0.16 1.16 -0.63 0.00 0.00 0.00 174.94 176.47 1mg3 s ILE 107 N -1.48 4.17 -1.30 2.92 -1.09 -1.26 -4.93 121.20 118.23 1mg3 s ILE 107 Ca 0.52 -0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 58.31 1mg3 s ILE 107 Cb -0.24 -4.83 0.00 0.00 -1.58 0.00 0.00 42.46 35.81 1mg3 s ILE 107 CO 0.31 -1.66 2.09 0.79 -1.23 0.00 0.00 174.94 175.25 1mg3 n TRP 108 N 8.13 3.36 0.25 3.97 5.03 -1.26 -4.43 117.44 132.48 1mg3 n TRP 108 Ca 0.10 -2.69 0.03 0.00 3.03 0.00 0.00 57.50 57.97 1mg3 n TRP 108 Cb 0.48 -2.42 0.03 0.00 -1.03 0.00 0.00 31.31 28.37 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 0.34 2.65 0.00 0.00 3.72 -1.26 -2.01 117.46 120.90 1mg3 n PHE 110 Ca 0.04 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 1mg3 n PHE 110 Cb 0.17 -2.52 0.00 0.00 -0.94 0.00 0.00 39.48 36.19 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 1.43 1.98 3.75 1.37 0.00 -1.26 -1.90 105.19 110.55 1mg3 n GLY 111 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.43 2.45 0.61 4.61 0.00 -0.85 -4.30 121.76 121.84 1mg3 s ALA 112 Ca 0.00 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 1mg3 s ALA 112 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1mg3 s ALA 112 CO 0.00 -1.34 1.24 -1.21 0.00 0.00 0.00 175.76 174.45 1mg3 s GLU 113 N -3.45 2.86 -1.80 0.00 8.01 -1.26 -2.64 118.70 120.42 1mg3 s GLU 113 Ca 0.77 1.90 0.00 0.00 0.01 0.00 0.00 54.97 57.66 1mg3 s GLU 113 Cb -0.31 -1.92 0.00 0.00 -4.31 0.00 0.00 34.13 27.60 1mg3 s GLU 113 CO 0.36 -1.31 0.00 -0.25 0.01 0.00 0.00 175.26 174.07 1mg3 n ASP 114 N -1.66 -5.24 -1.94 -0.19 10.43 -1.26 -2.71 116.55 113.99 1mg3 n ASP 114 Ca 0.14 0.42 -0.18 0.00 2.57 0.00 0.00 54.79 57.74 1mg3 n ASP 114 Cb 0.49 -4.23 -0.05 0.00 1.84 0.00 0.00 41.12 39.17 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 -0.95 -5.01 -4.66 -2.24 8.00 -1.08 -4.89 116.55 105.72 1mg3 n ASP 115 Ca -0.17 0.26 -0.47 0.00 0.71 0.00 0.00 54.79 55.12 1mg3 n ASP 115 Cb 0.59 -4.34 -0.05 0.00 -0.02 0.00 0.00 41.12 37.30 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 -0.41 0.89 -0.33 2.24 0.00 -1.10 -4.87 120.51 116.93 1mg3 n ALA 116 Ca -0.20 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1mg3 n ALA 116 Cb 0.63 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 3.70 1.08 -3.48 0.00 2.81 -1.26 -4.68 117.12 115.28 1mg3 n MET 117 Ca 0.18 -0.88 -0.38 0.00 -1.81 0.00 0.00 57.70 54.82 1mg3 n MET 117 Cb 0.27 -0.83 -0.06 0.00 -0.71 0.00 0.00 33.22 31.89 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 -0.44 4.99 0.03 2.03 -4.23 -1.26 -4.91 115.64 111.86 1mg3 s THR 118 Ca 0.00 0.84 -0.27 0.00 -1.18 0.00 0.00 61.69 61.08 1mg3 s THR 118 Cb 0.00 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 1mg3 s THR 118 CO 0.00 0.53 0.84 -0.47 -0.54 0.00 0.00 174.62 174.98 1mg3 s TYR 119 N -1.14 3.71 0.03 3.99 5.04 -1.26 -2.03 117.35 125.70 1mg3 s TYR 119 Ca 0.26 1.56 -0.00 0.00 -2.44 0.00 0.00 57.07 56.45 1mg3 s TYR 119 Cb -0.17 -2.93 -0.00 0.00 0.35 0.00 0.00 41.96 39.21 1mg3 s TYR 119 CO 0.15 0.17 -0.01 1.58 -1.34 0.00 0.00 175.55 176.10 1mg3 n HIS 120 N 3.17 0.00 -3.78 4.97 -0.00 -0.88 -2.16 115.22 116.54 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 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.99 30.47 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 -3.12 1.36 0.27 0.00 2.01 0.41 -0.46 115.64 116.11 1mg3 s THR 122 Ca 0.14 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1mg3 s THR 122 Cb -0.02 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1mg3 s THR 122 CO 0.03 0.31 0.39 0.27 -0.69 0.00 0.00 174.62 174.93 1mg3 s ILE 123 N -0.51 4.85 -0.53 1.82 -4.36 -0.85 -2.92 121.20 118.71 1mg3 s ILE 123 Ca 0.06 -1.00 0.07 0.00 -0.26 0.00 0.00 60.65 59.52 1mg3 s ILE 123 Cb -0.07 -3.70 0.31 0.00 1.25 0.00 0.00 42.46 40.25 1mg3 s ILE 123 CO -0.00 -0.27 0.81 -1.20 0.24 0.00 0.00 174.94 174.52 1mg3 n SER 124 N -1.48 3.13 -4.80 4.36 7.64 -0.51 -3.89 113.62 118.06 1mg3 n SER 124 Ca -0.06 -3.39 -0.35 0.00 1.01 0.00 0.00 58.87 56.08 1mg3 n SER 124 Cb 0.57 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.78 4.38 -0.07 1.43 0.04 -1.26 -4.84 135.00 131.90 1mg3 s PRO 125 Ca 0.44 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1mg3 s PRO 125 Cb 0.25 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1mg3 s PRO 125 CO -0.09 0.11 0.53 0.42 0.04 0.00 0.00 177.00 178.01 1mg3 s ILE 126 N -1.93 5.08 -0.37 0.56 1.01 -1.26 -1.96 121.20 122.32 1mg3 s ILE 126 Ca 0.57 1.08 0.04 0.00 0.00 0.00 0.00 60.65 62.34 1mg3 s ILE 126 Cb -0.13 -3.87 0.07 0.00 0.01 0.00 0.00 42.46 38.54 1mg3 s ILE 126 CO 0.18 0.36 0.89 1.33 0.00 0.00 0.00 174.94 177.70 1mg3 n VAL 127 N 3.27 0.58 0.00 2.92 0.24 -0.21 -4.95 118.33 120.18 1mg3 n VAL 127 Ca -0.07 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1mg3 n VAL 127 Cb 0.51 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.19 3.87 7.63 0.00 -1.24 -4.95 105.19 111.68 1mg3 n GLY 128 Ca 0.03 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.91 3.81 0.00 1.61 1.02 -1.26 0.41 119.74 123.42 1mg3 s LYS 129 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1mg3 s LYS 129 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1mg3 s LYS 129 CO 0.00 0.19 0.00 0.00 -0.92 0.00 0.00 175.35 174.62 1mg3 n ALA 130 N -0.58 0.00 1.21 5.17 0.00 0.10 -4.57 120.51 121.84 1mg3 n ALA 130 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1mg3 n ALA 130 Cb 0.53 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.26 1mg3 n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93