#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usu s ASP 13 N 0.00 5.79 0.01 4.52 1.01 -1.26 -4.48 116.67 122.26 1usu s ASP 13 Ca 0.00 -0.18 -0.12 0.00 0.71 0.00 0.00 52.55 52.96 1usu s ASP 13 Cb 0.00 -1.46 0.01 0.00 1.01 0.00 0.00 42.92 42.49 1usu s ASP 13 CO 0.00 -0.15 0.24 -1.59 0.21 0.00 0.00 175.17 173.88 1usu s LYS 14 N -3.95 0.65 -0.54 8.23 -2.85 -0.88 -5.01 119.74 115.38 1usu s LYS 14 Ca 0.36 -0.38 -0.17 0.00 -1.00 0.00 0.00 55.97 54.78 1usu s LYS 14 Cb -0.08 0.28 0.11 0.00 -2.06 0.00 0.00 37.83 36.07 1usu s LYS 14 CO 0.27 -0.18 0.55 1.21 0.10 0.00 0.00 175.35 177.30 1usu s ASN 15 N -1.61 6.18 -0.13 0.03 2.47 -1.26 -1.43 114.94 119.20 1usu s ASN 15 Ca -0.11 -1.52 0.04 0.00 0.42 0.00 0.00 52.86 51.69 1usu s ASN 15 Cb -0.04 -2.24 0.30 0.00 -1.45 0.00 0.00 41.25 37.81 1usu s ASN 15 CO 0.01 -0.90 1.14 0.00 -3.72 0.00 0.00 177.10 173.63 1usu h ILE 17 N 1.08 0.78 -0.25 0.00 6.09 -1.90 -0.43 117.51 122.88 1usu h ILE 17 Ca 0.10 -0.62 -0.16 0.00 -1.37 0.00 0.00 64.86 62.81 1usu h ILE 17 Cb 1.34 1.37 0.00 0.00 0.47 0.00 0.00 36.82 40.00 1usu h ILE 17 CO 0.29 0.15 -0.48 1.23 -3.07 0.00 0.00 178.15 176.27 1usu h GLY 18 N 0.79 0.85 1.12 8.18 0.00 -1.92 -2.59 103.07 109.50 1usu h GLY 18 Ca -0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.18 1usu h GLY 18 CO 0.02 0.89 -0.36 -0.25 0.00 0.00 0.00 176.54 176.84 1usu h TRP 19 N 0.52 1.12 -0.63 5.60 7.01 -1.76 -2.95 115.95 124.87 1usu h TRP 19 Ca 0.01 -0.33 -0.06 0.00 2.11 0.00 0.00 58.89 60.63 1usu h TRP 19 Cb 1.09 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 1usu h TRP 19 CO 0.08 1.16 0.17 0.00 -2.79 0.00 0.00 178.44 177.06 1usu h ALA 20 N 0.78 0.82 -0.38 2.65 0.00 -1.12 -1.26 119.26 120.75 1usu h ALA 20 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1usu h ALA 20 Cb 0.95 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1usu h ALA 20 CO 0.09 0.52 0.09 0.87 0.00 0.00 0.00 179.25 180.82 1usu h LYS 21 N 0.91 0.56 0.03 0.00 1.57 -1.38 -1.18 116.57 117.08 1usu h LYS 21 Ca 0.20 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 1usu h LYS 21 Cb 0.33 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1usu h LYS 21 CO -0.00 0.52 -1.29 0.93 -0.57 0.00 0.00 179.45 179.03 1usu h GLU 22 N 0.55 0.06 -0.76 3.15 5.08 -1.39 -2.91 114.58 118.36 1usu h GLU 22 Ca 0.13 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1usu h GLU 22 Cb 0.21 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1usu h GLU 22 CO -0.00 0.90 0.49 -0.92 -1.00 0.00 0.00 179.01 178.47 1usu h TYR 23 N 0.02 0.92 0.00 4.33 3.20 -0.79 -2.16 116.97 122.49 1usu h TYR 23 Ca -0.13 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.60 1usu h TYR 23 Cb 1.89 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.83 1usu h TYR 23 CO 0.01 0.54 -0.78 0.74 -1.64 0.00 0.00 178.16 177.04 1usu h PHE 24 N 0.96 0.00 -0.44 -3.82 -1.00 -1.31 -1.61 116.94 109.72 1usu h PHE 24 Ca 0.30 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.02 1usu h PHE 24 Cb -0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1usu h PHE 24 CO -0.03 0.78 0.04 0.87 -1.61 0.00 0.00 178.31 178.35 1usu h LYS 25 N 0.00 0.70 0.00 1.51 1.57 -1.19 0.32 116.57 119.48 1usu h LYS 25 Ca -0.01 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1usu h LYS 25 Cb 1.43 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1usu h LYS 25 CO 0.10 0.69 -1.40 0.00 -0.57 0.00 0.00 179.45 178.27 1usu n GLN 26 N -4.26 0.62 0.08 3.15 10.64 -0.95 -2.66 117.38 124.00 1usu n GLN 26 Ca 0.03 0.16 -0.06 0.00 -1.83 0.00 0.00 57.00 55.29 1usu n GLN 26 Cb 0.26 -1.78 -0.05 0.00 -0.86 0.00 0.00 30.24 27.81 1usu n GLN 26 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1usu h LYS 27 N 0.00 0.03 0.01 2.61 1.79 -1.13 -3.39 116.57 116.50 1usu h LYS 27 Ca -0.13 -0.04 -0.33 0.00 -2.18 0.00 0.00 60.65 57.97 1usu h LYS 27 Cb 1.43 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 32.05 1usu h LYS 27 CO 0.03 0.92 -1.82 -0.89 -1.08 0.00 0.00 179.45 176.61 1usu n ILE 28 N -3.48 1.56 -1.70 1.86 5.41 0.11 -4.79 119.36 118.32 1usu n ILE 28 Ca -0.01 -0.24 -0.43 0.00 1.00 0.00 0.00 62.75 63.07 1usu n ILE 28 Cb 0.86 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 1usu n ILE 28 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1usu n VAL 29 N -4.20 0.00 0.00 1.39 0.31 -1.09 -2.33 118.33 112.42 1usu n VAL 29 Ca -0.40 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1usu n VAL 29 Cb 0.81 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1usu n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1usu n GLY 30 N 3.79 3.01 3.72 2.92 0.00 0.16 -4.94 105.19 113.86 1usu n GLY 30 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1usu n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1usu n VAL 31 N -2.00 3.58 -3.83 1.61 0.31 -0.98 -4.53 118.33 112.48 1usu n VAL 31 Ca 0.00 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.74 1usu n VAL 31 Cb 0.00 -1.59 -0.06 0.00 -0.91 0.00 0.00 33.84 31.28 1usu n VAL 31 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1usu s GLU 32 N -2.74 0.99 0.00 5.55 -1.05 -1.26 0.10 118.70 120.29 1usu s GLU 32 Ca 0.70 -0.96 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 1usu s GLU 32 Cb -0.43 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 1usu s GLU 32 CO 0.51 -0.35 0.00 0.00 0.95 0.00 0.00 175.26 176.37 1usu n ALA 33 N -0.14 0.00 0.00 -0.84 0.00 0.22 -4.72 120.51 115.02 1usu n ALA 33 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1usu n ALA 33 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1usu n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1usu n LYS 39 N 0.00 0.00 -3.53 0.00 4.81 -1.26 -2.16 118.16 116.03 1usu n LYS 39 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1usu n LYS 39 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1usu n LYS 39 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1usu s LYS 40 N 0.00 4.23 -0.08 1.64 1.02 -1.26 -4.30 119.74 120.98 1usu s LYS 40 Ca 0.00 0.13 -0.32 0.00 0.02 0.00 0.00 55.97 55.80 1usu s LYS 40 Cb 0.00 -3.41 0.12 0.00 -0.52 0.00 0.00 37.83 34.02 1usu s LYS 40 CO 0.00 0.26 1.08 -0.47 -0.92 0.00 0.00 175.35 175.31 1usu s TYR 41 N 0.38 -0.20 0.18 3.18 5.04 0.51 -5.00 117.35 121.44 1usu s TYR 41 Ca 0.17 0.09 -0.23 0.00 -2.44 0.00 0.00 57.07 54.66 1usu s TYR 41 Cb -0.13 0.54 0.06 0.00 0.35 0.00 0.00 41.96 42.77 1usu s TYR 41 CO 0.05 -0.38 0.72 0.00 -1.34 0.00 0.00 175.55 174.60 1usu s ALA 42 N -2.74 -1.50 0.12 3.97 0.00 -0.92 0.50 121.76 121.19 1usu s ALA 42 Ca 0.09 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1usu s ALA 42 Cb -0.00 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1usu s ALA 42 CO -0.06 -0.89 0.45 -1.59 0.00 0.00 0.00 175.76 173.68 1usu s LYS 43 N -3.67 1.09 -0.21 0.00 -2.85 0.02 0.70 119.74 114.82 1usu s LYS 43 Ca 0.06 -0.58 -0.29 0.00 -1.00 0.00 0.00 55.97 54.16 1usu s LYS 43 Cb -0.03 0.49 -0.00 0.00 -2.06 0.00 0.00 37.83 36.23 1usu s LYS 43 CO -0.04 -0.43 1.17 0.42 0.10 0.00 0.00 175.35 176.58 1usu s ILE 44 N -3.53 4.43 0.00 3.79 1.01 0.28 -2.58 121.20 124.60 1usu s ILE 44 Ca 0.01 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1usu s ILE 44 Cb 0.01 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1usu s ILE 44 CO -0.10 -0.20 0.05 1.17 0.00 0.00 0.00 174.94 175.87 1usu n LYS 45 N 6.57 0.00 -4.48 2.79 4.81 0.67 0.40 118.16 128.91 1usu n LYS 45 Ca 0.13 0.28 -0.24 0.00 -0.87 0.00 0.00 58.31 57.61 1usu n LYS 45 Cb 0.46 -0.81 -0.09 0.00 0.02 0.00 0.00 35.03 34.61 1usu n LYS 45 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1usu s SER 46 N -2.10 2.57 -0.46 3.14 1.04 -1.19 -4.41 113.70 112.29 1usu s SER 46 Ca 0.00 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.82 1usu s SER 46 Cb 0.00 0.40 0.12 0.00 0.10 0.00 0.00 66.02 66.64 1usu s SER 46 CO 0.00 -0.88 0.22 -0.69 0.98 0.00 0.00 173.24 172.87 1usu s VAL 47 N -3.27 2.98 -0.31 5.02 1.01 -1.26 -0.49 120.40 124.08 1usu s VAL 47 Ca 0.27 -2.55 0.27 0.00 0.00 0.00 0.00 61.98 59.97 1usu s VAL 47 Cb 0.04 -3.06 0.30 0.00 0.00 0.00 0.00 36.38 33.67 1usu s VAL 47 CO 0.15 -0.73 1.81 0.77 0.00 0.00 0.00 175.10 177.10 1usu h SER 48 N 7.44 0.00 -3.07 3.32 4.64 -1.76 -3.46 113.55 120.66 1usu h SER 48 Ca -0.07 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.44 1usu h SER 48 Cb 0.99 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.80 1usu h SER 48 CO 0.65 0.00 0.84 -0.94 -0.87 0.00 0.00 176.83 176.51 1usu s SER 49 N -4.85 -0.12 -0.14 4.97 1.04 -1.18 -4.97 113.70 108.44 1usu s SER 49 Ca 0.04 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.60 1usu s SER 49 Cb 0.09 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.43 1usu s SER 49 CO 0.48 -0.09 0.22 -0.63 0.98 0.00 0.00 173.24 174.20 1usu s ILE 50 N -0.71 -0.35 0.23 -1.02 1.01 -1.25 -1.37 121.20 117.74 1usu s ILE 50 Ca 0.06 0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.95 1usu s ILE 50 Cb -0.02 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1usu s ILE 50 CO -0.08 0.03 -0.05 -1.61 0.00 0.00 0.00 174.94 173.24 1usu s GLU 51 N 2.36 1.37 0.00 2.79 2.02 0.03 -4.96 118.70 122.31 1usu s GLU 51 Ca 0.04 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.35 1usu s GLU 51 Cb -0.13 -0.83 0.00 0.00 0.10 0.00 0.00 34.13 33.27 1usu s GLU 51 CO -0.09 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1usu n GLY 52 N -0.44 0.25 3.21 -1.39 0.00 -1.26 -0.56 105.19 104.99 1usu n GLY 52 Ca -0.06 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.62 1usu n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1usu s ASP 53 N -4.00 1.86 -0.31 1.61 -4.77 -0.78 -5.00 116.67 105.28 1usu s ASP 53 Ca 0.00 -0.69 0.05 0.00 -3.30 0.00 0.00 52.55 48.61 1usu s ASP 53 Cb 0.00 -0.06 0.18 0.00 -1.09 0.00 0.00 42.92 41.95 1usu s ASP 53 CO 0.00 -0.09 0.51 0.00 0.70 0.00 0.00 175.17 176.30 1usu s GLU 55 N 2.52 1.17 -0.25 0.00 2.02 -1.26 -1.11 118.70 121.78 1usu s GLU 55 Ca 0.11 -1.51 0.01 0.00 0.02 0.00 0.00 54.97 53.60 1usu s GLU 55 Cb -0.10 -0.81 0.06 0.00 0.10 0.00 0.00 34.13 33.38 1usu s GLU 55 CO -0.24 0.11 -0.05 0.08 0.02 0.00 0.00 175.26 175.19 1usu s VAL 56 N -3.19 1.68 0.30 2.63 1.01 -0.51 -4.36 120.40 117.95 1usu s VAL 56 Ca 0.19 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1usu s VAL 56 Cb 0.01 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1usu s VAL 56 CO 0.03 -0.15 0.19 0.20 0.00 0.00 0.00 175.10 175.38 1usu s ASN 57 N 1.31 5.17 -0.50 3.32 0.02 -0.40 -2.08 114.94 121.78 1usu s ASN 57 Ca -0.05 -0.47 -0.12 0.00 -1.02 0.00 0.00 52.86 51.21 1usu s ASN 57 Cb -0.19 -1.07 0.13 0.00 0.02 0.00 0.00 41.25 40.14 1usu s ASN 57 CO -0.07 -0.19 0.41 -1.10 0.02 0.00 0.00 177.10 176.17 1usu s GLN 58 N -3.87 2.67 -0.43 -0.60 -1.52 -1.26 -1.66 119.66 112.98 1usu s GLN 58 Ca 0.36 -1.77 0.07 0.00 -1.95 0.00 0.00 55.36 52.08 1usu s GLN 58 Cb -0.06 -4.06 0.18 0.00 -0.22 0.00 0.00 33.01 28.85 1usu s GLN 58 CO 0.24 -1.24 0.61 1.03 -0.25 0.00 0.00 175.29 175.68 1usu s ARG 59 N 1.41 0.85 0.00 2.91 0.52 -1.26 -4.83 118.95 118.55 1usu s ARG 59 Ca 0.05 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1usu s ARG 59 Cb -0.27 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.11 1usu s ARG 59 CO 0.00 -1.23 0.00 0.41 0.02 0.00 0.00 175.30 174.51 1usu n GLY 61 N 4.03 1.22 0.61 -3.53 0.00 -1.26 -4.83 105.19 101.43 1usu n GLY 61 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1usu n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1usu n LYS 62 N 0.00 0.16 -2.19 1.61 5.02 -1.26 -5.07 118.16 116.43 1usu n LYS 62 Ca 0.00 -0.43 -0.32 0.00 -2.02 0.00 0.00 58.31 55.54 1usu n LYS 62 Cb 0.00 0.47 0.02 0.00 -0.02 0.00 0.00 35.03 35.50 1usu n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1usu n VAL 63 N -0.10 2.87 -0.67 -0.18 0.31 -1.26 -4.10 118.33 115.21 1usu n VAL 63 Ca -0.01 -4.55 -0.30 0.00 -0.01 0.00 0.00 64.34 59.47 1usu n VAL 63 Cb 0.10 -1.24 0.15 0.00 -0.91 0.00 0.00 33.84 31.94 1usu n VAL 63 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1usu n ILE 64 N -0.54 0.00 -3.57 2.52 -5.35 -0.66 -4.45 119.36 107.30 1usu n ILE 64 Ca 0.46 -0.21 -0.02 0.00 -0.27 0.00 0.00 62.75 62.71 1usu n ILE 64 Cb 0.54 -0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 37.87 1usu n ILE 64 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1usu s SER 65 N -1.78 -0.68 -0.50 7.28 0.15 -1.26 -1.28 113.70 115.63 1usu s SER 65 Ca 0.49 1.02 0.03 0.00 0.70 0.00 0.00 55.95 58.19 1usu s SER 65 Cb -0.08 1.52 0.43 0.00 -1.71 0.00 0.00 66.02 66.18 1usu s SER 65 CO 0.59 -0.15 1.45 0.18 1.20 0.00 0.00 173.24 176.51 1usu n LEU 66 N 4.42 5.76 -4.67 3.45 4.77 -1.26 -4.80 117.00 124.68 1usu n LEU 66 Ca -0.15 -4.85 -0.38 0.00 -0.03 0.00 0.00 56.01 50.60 1usu n LEU 66 Cb 0.55 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1usu n LEU 66 CO -0.01 1.99 0.73 2.22 -1.33 0.00 0.00 177.39 180.99 1usu n PHE 67 N -0.64 1.49 -3.57 -1.77 1.16 -1.26 -4.72 117.46 108.15 1usu n PHE 67 Ca 0.47 0.45 -0.07 0.00 -1.87 0.00 0.00 57.45 56.43 1usu n PHE 67 Cb 0.69 -2.24 -0.08 0.00 -1.61 0.00 0.00 39.48 36.23 1usu n PHE 67 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1usu s ASP 68 N -1.06 -0.32 0.08 5.98 3.68 -0.11 -0.67 116.67 124.25 1usu s ASP 68 Ca 0.73 0.90 0.04 0.00 2.13 0.00 0.00 52.55 56.35 1usu s ASP 68 Cb -0.43 1.45 -0.03 0.00 -1.45 0.00 0.00 42.92 42.46 1usu s ASP 68 CO 0.49 -0.25 -0.12 -0.76 0.13 0.00 0.00 175.17 174.66 1usu s LEU 69 N 2.64 2.33 -0.11 -1.34 1.43 0.10 -1.86 118.68 121.88 1usu s LEU 69 Ca 0.02 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1usu s LEU 69 Cb -0.13 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 1usu s LEU 69 CO -0.14 -0.16 -0.10 -0.75 0.23 0.00 0.00 176.35 175.42 1usu s LYS 70 N -2.19 3.14 -0.01 1.70 2.20 0.27 -0.07 119.74 124.78 1usu s LYS 70 Ca 0.01 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1usu s LYS 70 Cb -0.07 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1usu s LYS 70 CO 0.01 0.40 -0.01 0.42 -0.36 0.00 0.00 175.35 175.82 1usu s ILE 71 N -0.11 0.12 -0.05 5.43 1.01 -0.60 -0.79 121.20 126.21 1usu s ILE 71 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1usu s ILE 71 Cb -0.13 -0.15 -0.00 0.00 0.01 0.00 0.00 42.46 42.18 1usu s ILE 71 CO 0.03 0.07 -0.18 -0.89 0.00 0.00 0.00 174.94 173.98 1usu s THR 72 N 0.35 1.48 0.16 2.92 2.01 -0.47 -0.91 115.64 121.18 1usu s THR 72 Ca -0.03 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.34 1usu s THR 72 Cb -0.05 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1usu s THR 72 CO -0.01 0.43 -0.23 0.68 -0.69 0.00 0.00 174.62 174.80 1usu s VAL 73 N 0.16 2.14 -0.01 3.82 -7.23 -0.71 -2.10 120.40 116.46 1usu s VAL 73 Ca -0.07 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1usu s VAL 73 Cb -0.13 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1usu s VAL 73 CO 0.03 -0.08 0.14 -0.76 -0.31 0.00 0.00 175.10 174.12 1usu s LEU 74 N -2.38 4.19 0.20 1.32 1.43 0.36 -1.15 118.68 122.65 1usu s LEU 74 Ca 0.16 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1usu s LEU 74 Cb -0.08 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1usu s LEU 74 CO 0.07 0.27 -0.04 0.27 0.23 0.00 0.00 176.35 177.15 1usu s ILE 75 N -1.26 1.11 0.00 -0.59 -4.36 -0.09 -0.24 121.20 115.78 1usu s ILE 75 Ca 0.25 -2.05 -0.12 0.00 -0.26 0.00 0.00 60.65 58.47 1usu s ILE 75 Cb -0.12 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.45 1usu s ILE 75 CO 0.16 -0.49 0.26 -1.61 0.24 0.00 0.00 174.94 173.51 1usu s GLU 76 N -3.81 0.65 0.00 0.37 2.02 -1.07 -2.13 118.70 114.74 1usu s GLU 76 Ca 0.24 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1usu s GLU 76 Cb 0.04 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1usu s GLU 76 CO 0.06 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1usu n GLY 77 N 1.14 -0.95 3.49 -1.39 0.00 -0.94 -0.80 105.19 105.74 1usu n GLY 77 Ca -0.21 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 1usu n GLY 77 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1usu s HIS 78 N -3.00 -0.47 0.00 1.61 -3.43 0.18 -0.57 115.29 109.62 1usu s HIS 78 Ca 0.00 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.73 1usu s HIS 78 Cb 0.00 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1usu s HIS 78 CO 0.00 -0.63 0.00 0.28 -2.00 0.00 0.00 174.74 172.39 1usu n VAL 79 N 0.06 0.00 0.00 -5.38 0.31 -0.31 -0.37 118.33 112.64 1usu n VAL 79 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1usu n VAL 79 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 1usu n VAL 79 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1usu n ASP 80 N 0.00 0.00 0.00 4.52 5.68 -1.26 -3.81 116.55 121.68 1usu n ASP 80 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1usu n ASP 80 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1usu n ASP 80 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1usu n SER 85 N 0.00 0.00 0.00 -1.12 3.41 -1.26 -4.59 113.62 110.06 1usu n SER 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1usu n SER 85 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1usu n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1usu n ALA 86 N 0.00 0.00 -3.62 7.33 0.00 -1.26 -5.16 120.51 117.80 1usu n ALA 86 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1usu n ALA 86 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1usu n ALA 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1usu s LEU 87 N 0.00 -0.16 1.06 0.00 2.96 -1.25 -4.97 118.68 116.32 1usu s LEU 87 Ca 0.00 0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 54.02 1usu s LEU 87 Cb 0.00 0.45 0.23 0.00 0.50 0.00 0.00 46.19 47.37 1usu s LEU 87 CO 0.00 -0.26 1.21 -2.84 -1.32 0.00 0.00 176.35 173.13 1usu s PRO 88 N 2.35 -0.10 0.10 0.98 0.02 -1.26 -1.16 135.00 135.93 1usu s PRO 88 Ca 0.03 -0.18 -0.26 0.00 0.02 0.00 0.00 61.00 60.62 1usu s PRO 88 Cb -0.13 -1.74 0.09 0.00 0.02 0.00 0.00 34.50 32.74 1usu s PRO 88 CO -0.08 -2.95 1.11 -0.59 -0.33 0.00 0.00 177.00 174.16 1usu s PHE 89 N -3.44 -0.02 0.06 6.54 -0.12 0.27 -4.86 117.98 116.40 1usu s PHE 89 Ca 0.71 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 57.31 1usu s PHE 89 Cb -0.08 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1usu s PHE 89 CO 0.54 -0.66 0.05 -1.21 -0.05 0.00 0.00 175.22 173.89 1usu s GLU 90 N -2.54 0.65 0.00 1.99 2.02 -1.26 -2.22 118.70 117.34 1usu s GLU 90 Ca 0.18 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1usu s GLU 90 Cb -0.00 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.47 1usu s GLU 90 CO 0.01 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1usu n GLY 91 N 0.25 1.12 3.13 -1.39 0.00 -0.90 0.28 105.19 107.66 1usu n GLY 91 Ca -0.16 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1usu n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1usu s SER 92 N 0.24 0.27 -0.14 1.61 1.04 -0.49 -0.91 113.70 115.32 1usu s SER 92 Ca 0.00 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 1usu s SER 92 Cb 0.00 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.40 1usu s SER 92 CO 0.00 -0.59 -0.03 -0.63 0.98 0.00 0.00 173.24 172.97 1usu s ILE 93 N -3.35 0.81 -0.12 -1.02 1.01 -0.30 0.05 121.20 118.29 1usu s ILE 93 Ca 0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1usu s ILE 93 Cb 0.03 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1usu s ILE 93 CO -0.08 0.16 0.06 0.21 0.00 0.00 0.00 174.94 175.28 1usu s ASN 94 N 1.77 5.66 -0.29 3.58 3.04 -0.57 -1.74 114.94 126.39 1usu s ASN 94 Ca 0.02 0.21 0.03 0.00 0.04 0.00 0.00 52.86 53.16 1usu s ASN 94 Cb -0.14 -1.79 0.08 0.00 -1.54 0.00 0.00 41.25 37.86 1usu s ASN 94 CO -0.07 0.32 -0.02 -0.69 -3.04 0.00 0.00 177.10 173.61 1usu s VAL 95 N -0.53 2.02 0.45 -5.21 1.01 -0.09 0.19 120.40 118.24 1usu s VAL 95 Ca 0.10 -1.87 0.22 0.00 0.00 0.00 0.00 61.98 60.44 1usu s VAL 95 Cb -0.12 -2.34 0.26 0.00 0.00 0.00 0.00 36.38 34.18 1usu s VAL 95 CO 0.02 -0.34 2.06 1.55 0.00 0.00 0.00 175.10 178.40 1usu h PRO 96 N 7.75 0.00 -2.44 2.72 0.13 -1.83 -1.58 132.00 136.76 1usu h PRO 96 Ca -0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.80 1usu h PRO 96 Cb 1.03 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.84 1usu h PRO 96 CO 0.48 0.13 -0.52 -2.00 -0.23 0.00 0.00 178.00 175.86 1usu s GLU 97 N -4.43 0.24 -0.28 0.86 2.12 -1.25 -4.18 118.70 111.78 1usu s GLU 97 Ca -0.04 0.57 0.02 0.00 0.36 0.00 0.00 54.97 55.88 1usu s GLU 97 Cb 0.14 -0.45 0.06 0.00 0.26 0.00 0.00 34.13 34.15 1usu s GLU 97 CO 0.62 -0.49 -0.06 0.08 -0.54 0.00 0.00 175.26 174.87 1usu s VAL 98 N 2.45 2.42 0.18 3.70 1.01 0.90 -4.69 120.40 126.38 1usu s VAL 98 Ca 0.06 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.40 1usu s VAL 98 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1usu s VAL 98 CO -0.12 -0.11 0.04 0.00 0.00 0.00 0.00 175.10 174.90 1usu s ALA 99 N 1.12 1.27 0.47 5.51 0.00 -1.26 -0.72 121.76 128.15 1usu s ALA 99 Ca -0.06 -1.61 0.25 0.00 0.00 0.00 0.00 51.96 50.54 1usu s ALA 99 Cb -0.20 0.76 1.28 0.00 0.00 0.00 0.00 23.12 24.96 1usu s ALA 99 CO -0.04 -0.40 1.85 0.27 0.00 0.00 0.00 175.76 177.43 1usu h PHE 100 N 2.69 0.31 -0.43 0.00 -5.15 -1.18 -0.93 116.94 112.25 1usu h PHE 100 Ca -0.36 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.42 1usu h PHE 100 Cb 1.21 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 37.29 1usu h PHE 100 CO 0.48 0.06 0.00 -0.40 -2.00 0.00 0.00 178.31 176.46 1usu n ASP 101 N -4.41 3.97 -4.77 -0.68 5.75 -1.26 -5.02 116.55 110.13 1usu n ASP 101 Ca 0.21 -2.52 -0.38 0.00 -0.01 0.00 0.00 54.79 52.08 1usu n ASP 101 Cb 0.88 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1usu n ASP 101 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1usu s SER 102 N -1.27 6.39 0.52 -1.12 0.01 -0.36 -5.05 113.70 112.83 1usu s SER 102 Ca 0.40 2.44 0.09 0.00 1.31 0.00 0.00 55.95 60.19 1usu s SER 102 Cb 0.27 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.94 1usu s SER 102 CO 0.16 -0.77 0.71 -1.61 0.41 0.00 0.00 173.24 172.15 1usu s GLU 103 N -2.33 2.48 0.21 12.44 0.41 -1.26 -4.97 118.70 125.68 1usu s GLU 103 Ca 0.58 -1.51 -0.07 0.00 -0.41 0.00 0.00 54.97 53.56 1usu s GLU 103 Cb -0.33 -2.68 0.15 0.00 -1.78 0.00 0.00 34.13 29.49 1usu s GLU 103 CO 0.41 -0.66 1.71 0.00 -0.49 0.00 0.00 175.26 176.23 1usu h ALA 104 N 0.34 0.95 0.00 5.21 0.00 -1.97 -2.22 119.26 121.58 1usu h ALA 104 Ca -0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1usu h ALA 104 Cb 1.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1usu h ALA 104 CO 0.42 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 179.20 1usu n SER 105 N -4.21 0.00 -0.11 0.00 3.41 -1.26 -3.90 113.62 107.54 1usu n SER 105 Ca 0.04 0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.63 1usu n SER 105 Cb 0.29 -0.35 0.04 0.00 -0.26 0.00 0.00 64.21 63.93 1usu n SER 105 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1usu h SER 106 N 0.00 0.90 -3.42 4.04 0.02 -1.77 -3.45 113.55 109.86 1usu h SER 106 Ca 0.00 -0.35 -0.54 0.00 -0.84 0.00 0.00 61.79 60.07 1usu h SER 106 Cb 0.32 -0.25 0.09 0.00 0.14 0.00 0.00 62.40 62.71 1usu h SER 106 CO 0.00 1.10 0.85 -1.22 -1.14 0.00 0.00 176.83 176.42 1usu n TYR 107 N -4.10 2.87 -4.58 3.45 4.02 -1.25 -4.99 117.16 112.59 1usu n TYR 107 Ca -0.00 0.31 -0.34 0.00 -0.01 0.00 0.00 57.90 57.85 1usu n TYR 107 Cb 0.47 -2.58 -0.11 0.00 -0.02 0.00 0.00 39.34 37.10 1usu n TYR 107 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1usu s GLN 108 N -0.90 2.90 -0.20 -0.72 -1.52 -1.26 -5.10 119.66 112.86 1usu s GLN 108 Ca 0.61 -0.53 0.01 0.00 -1.95 0.00 0.00 55.36 53.50 1usu s GLN 108 Cb -0.49 -2.65 0.04 0.00 -0.22 0.00 0.00 33.01 29.69 1usu s GLN 108 CO 0.52 0.60 -0.11 -0.06 -0.25 0.00 0.00 175.29 175.99 1usu s PHE 109 N -0.64 2.55 -0.61 0.91 0.40 -1.26 -4.04 117.98 115.29 1usu s PHE 109 Ca 0.10 -1.68 -0.16 0.00 -0.60 0.00 0.00 56.93 54.59 1usu s PHE 109 Cb -0.12 -1.70 0.14 0.00 0.51 0.00 0.00 43.02 41.85 1usu s PHE 109 CO 0.02 -0.76 0.61 0.34 0.70 0.00 0.00 175.22 176.13 1usu s ASP 110 N 1.35 6.30 -0.25 1.36 2.15 0.13 -4.92 116.67 122.80 1usu s ASP 110 Ca -0.01 -1.88 -0.28 0.00 0.43 0.00 0.00 52.55 50.81 1usu s ASP 110 Cb -0.16 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.23 1usu s ASP 110 CO -0.08 -0.87 0.99 -0.63 -0.17 0.00 0.00 175.17 174.40 1usu s ILE 111 N 1.62 4.70 -0.12 4.11 1.01 -1.26 -1.51 121.20 129.75 1usu s ILE 111 Ca 0.08 1.84 0.01 0.00 0.00 0.00 0.00 60.65 62.58 1usu s ILE 111 Cb -0.24 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 1usu s ILE 111 CO 0.01 -0.20 -0.13 -0.44 0.00 0.00 0.00 174.94 174.17 1usu s SER 112 N 1.32 4.00 -0.28 3.58 0.01 0.11 -4.99 113.70 117.44 1usu s SER 112 Ca 0.42 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.36 1usu s SER 112 Cb -0.15 -1.48 0.05 0.00 0.21 0.00 0.00 66.02 64.66 1usu s SER 112 CO 0.08 0.20 -0.04 -0.63 0.41 0.00 0.00 173.24 173.26 1usu s ILE 113 N 0.16 2.76 0.33 1.44 -1.09 -1.26 -1.40 121.20 122.15 1usu s ILE 113 Ca -0.07 -1.38 -0.29 0.00 -2.23 0.00 0.00 60.65 56.67 1usu s ILE 113 Cb -0.15 -2.56 -0.11 0.00 -1.58 0.00 0.00 42.46 38.05 1usu s ILE 113 CO 0.05 -0.03 1.53 0.49 -1.23 0.00 0.00 174.94 175.74 1usu n PHE 114 N 4.58 2.88 -3.57 3.97 0.99 0.14 -3.52 117.46 122.93 1usu n PHE 114 Ca -0.14 0.36 -0.21 0.00 -0.00 0.00 0.00 57.45 57.46 1usu n PHE 114 Cb 0.44 -2.56 0.00 0.00 -1.00 0.00 0.00 39.48 36.37 1usu n PHE 114 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1usu n LYS 115 N 1.28 -0.79 -1.67 -1.08 5.02 -1.26 -4.76 118.16 114.90 1usu n LYS 115 Ca 0.05 0.21 -0.31 0.00 -2.02 0.00 0.00 58.31 56.24 1usu n LYS 115 Cb 0.38 -1.29 0.04 0.00 -0.02 0.00 0.00 35.03 34.14 1usu n LYS 115 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1usu s GLU 116 N -4.94 3.05 0.06 1.97 2.12 -1.23 -5.09 118.70 114.64 1usu s GLU 116 Ca 0.12 0.84 -0.07 0.00 0.36 0.00 0.00 54.97 56.23 1usu s GLU 116 Cb -0.07 -2.01 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 1usu s GLU 116 CO 0.58 -0.99 0.14 0.95 -0.54 0.00 0.00 175.26 175.41 1usu s THR 117 N -3.11 0.14 0.65 -1.70 -4.23 -1.26 -5.02 115.64 101.11 1usu s THR 117 Ca 0.57 -1.13 0.17 0.00 -1.18 0.00 0.00 61.69 60.13 1usu s THR 117 Cb -0.13 -1.10 0.19 0.00 1.34 0.00 0.00 72.50 72.80 1usu s THR 117 CO 0.54 -0.62 1.49 0.77 -0.54 0.00 0.00 174.62 176.26 1usu h SER 118 N 3.26 0.00 0.42 3.99 4.64 -2.01 0.76 113.55 124.61 1usu h SER 118 Ca -0.33 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.68 1usu h SER 118 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1usu h SER 118 CO 0.53 0.00 -1.52 -0.33 -0.87 0.00 0.00 176.83 174.64 1usu h GLU 119 N 0.00 0.30 0.00 4.77 3.07 -2.03 -3.27 114.58 117.43 1usu h GLU 119 Ca 0.06 -0.52 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1usu h GLU 119 Cb 1.45 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 1usu h GLU 119 CO -0.00 1.19 0.00 1.28 -1.40 0.00 0.00 179.01 180.08 1usu n LEU 120 N -3.51 0.00 -0.21 1.33 4.77 0.26 -4.08 117.00 115.56 1usu n LEU 120 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1usu n LEU 120 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1usu n LEU 120 CO 0.52 0.00 0.09 -1.54 -1.33 0.00 0.00 177.39 175.13 1usu n SER 121 N -0.84 0.09 -0.04 -1.43 3.41 -1.16 -1.87 113.62 111.78 1usu n SER 121 Ca 0.10 -0.43 0.01 0.00 -0.26 0.00 0.00 58.87 58.28 1usu n SER 121 Cb 0.04 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1usu n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1usu n GLU 122 N -0.12 3.23 0.36 4.33 -0.58 -1.26 -4.70 120.64 121.89 1usu n GLU 122 Ca 0.00 -0.28 -0.14 0.00 -0.42 0.00 0.00 57.16 56.31 1usu n GLU 122 Cb 0.02 -0.80 -0.07 0.00 -0.57 0.00 0.00 31.44 30.03 1usu n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1usu h ALA 123 N 0.38 -0.95 -0.37 0.62 0.00 -1.71 -2.92 119.26 114.32 1usu h ALA 123 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1usu h ALA 123 Cb 0.07 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1usu h ALA 123 CO 0.00 -0.88 -0.07 0.87 0.00 0.00 0.00 179.25 179.17 1usu h LYS 124 N -1.25 0.02 -0.36 0.00 1.57 -1.85 0.37 116.57 115.07 1usu h LYS 124 Ca -0.10 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1usu h LYS 124 Cb 0.72 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1usu h LYS 124 CO 0.16 0.02 0.26 -1.35 -0.57 0.00 0.00 179.45 177.96 1usu h PRO 125 N 0.02 0.04 0.69 3.15 0.11 -1.84 0.13 132.00 134.30 1usu h PRO 125 Ca 0.18 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1usu h PRO 125 Cb 0.27 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.38 1usu h PRO 125 CO -0.36 0.02 -0.33 1.25 -0.21 0.00 0.00 178.00 178.37 1usu h LEU 126 N 0.04 -0.78 -0.79 2.35 5.85 -0.14 -2.48 115.31 119.35 1usu h LEU 126 Ca 0.17 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.99 1usu h LEU 126 Cb 0.63 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 1usu h LEU 126 CO -0.01 -0.44 0.42 0.40 -0.34 0.00 0.00 178.44 178.47 1usu h ILE 127 N -1.13 0.84 -0.59 4.05 2.04 -0.20 -2.29 117.51 120.23 1usu h ILE 127 Ca -0.09 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1usu h ILE 127 Cb 0.74 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1usu h ILE 127 CO 0.16 0.12 0.26 0.03 0.00 0.00 0.00 178.15 178.72 1usu h ARG 128 N 0.68 0.87 -0.32 2.37 3.08 -0.75 -2.11 114.38 118.21 1usu h ARG 128 Ca 0.39 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 1usu h ARG 128 Cb 0.43 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1usu h ARG 128 CO -0.28 0.73 -0.48 0.66 -1.07 0.00 0.00 179.97 179.53 1usu h SER 129 N 0.82 0.95 0.00 7.04 4.64 -0.94 -3.38 113.55 122.68 1usu h SER 129 Ca 0.20 -0.48 -0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1usu h SER 129 Cb 0.17 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1usu h SER 129 CO -0.02 1.27 -1.30 -0.62 -0.87 0.00 0.00 176.83 175.29 1usu n GLU 130 N -4.02 2.60 -0.06 4.77 -0.58 -0.94 -4.72 120.64 117.69 1usu n GLU 130 Ca -0.03 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.63 1usu n GLU 130 Cb 0.59 -1.11 -0.07 0.00 -0.57 0.00 0.00 31.44 30.28 1usu n GLU 130 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1usu h LEU 131 N 0.00 0.00 -0.74 -4.62 5.85 -1.59 -3.37 115.31 110.84 1usu h LEU 131 Ca -0.12 -0.48 0.16 0.00 0.84 0.00 0.00 57.88 58.29 1usu h LEU 131 Cb 1.25 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 1usu h LEU 131 CO 0.00 0.81 0.17 -0.07 -0.34 0.00 0.00 178.44 179.01 1usu h LEU 132 N -1.00 -0.00 -2.57 2.25 3.38 -1.57 0.14 115.31 115.93 1usu h LEU 132 Ca -0.02 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1usu h LEU 132 Cb 0.56 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1usu h LEU 132 CO -0.01 -0.05 -0.02 1.55 0.09 0.00 0.00 178.44 180.00 1usu h PRO 133 N 0.26 0.00 0.00 1.13 0.13 -1.77 0.14 132.00 131.89 1usu h PRO 133 Ca 0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.50 1usu h PRO 133 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1usu h PRO 133 CO -0.52 0.02 -0.85 0.87 -0.23 0.00 0.00 178.00 177.29 1usu h LYS 134 N 0.00 0.00 -0.09 0.86 1.57 -0.92 -3.09 116.57 114.89 1usu h LYS 134 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1usu h LYS 134 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1usu h LYS 134 CO 0.00 0.12 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.41 1usu h LEU 135 N 0.00 0.61 -0.38 2.94 3.38 0.21 -2.98 115.31 119.09 1usu h LEU 135 Ca -0.04 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.31 1usu h LEU 135 Cb 1.17 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1usu h LEU 135 CO 0.02 1.17 0.17 0.03 0.09 0.00 0.00 178.44 179.92 1usu h ARG 136 N 0.10 0.35 -0.26 1.13 3.08 -1.02 -1.66 114.38 116.10 1usu h ARG 136 Ca -0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1usu h ARG 136 Cb 1.17 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1usu h ARG 136 CO 0.11 0.23 -0.12 -0.56 -1.07 0.00 0.00 179.97 178.56 1usu h GLN 137 N 0.36 0.43 -0.02 0.04 3.07 -1.60 -1.99 115.11 115.39 1usu h GLN 137 Ca 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 58.65 58.79 1usu h GLN 137 Cb 0.10 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 27.61 1usu h GLN 137 CO -0.13 0.55 0.00 0.82 0.09 0.00 0.00 178.83 180.16 1usu h ILE 138 N 0.40 1.18 -0.98 1.86 2.04 -1.25 -2.24 117.51 118.51 1usu h ILE 138 Ca 0.08 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.44 1usu h ILE 138 Cb 0.45 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 1usu h ILE 138 CO 0.03 0.14 0.64 -0.26 0.00 0.00 0.00 178.15 178.70 1usu h PHE 139 N -0.20 1.20 0.00 1.37 0.04 -1.17 -1.67 116.94 116.52 1usu h PHE 139 Ca 0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1usu h PHE 139 Cb 0.23 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1usu h PHE 139 CO 0.00 0.68 -0.16 1.96 -0.60 0.00 0.00 178.31 180.20 1usu h GLN 140 N 1.23 0.00 0.03 1.51 1.08 -1.17 -2.89 115.11 114.90 1usu h GLN 140 Ca 0.40 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.36 1usu h GLN 140 Cb 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1usu h GLN 140 CO -0.13 0.16 -1.20 0.37 -0.95 0.00 0.00 178.83 177.08 1usu h GLN 141 N 0.00 0.07 -0.82 1.46 5.75 -0.70 -3.36 115.11 117.51 1usu h GLN 141 Ca -0.00 -0.12 0.16 0.00 -0.15 0.00 0.00 58.65 58.54 1usu h GLN 141 Cb 0.36 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 28.85 1usu h GLN 141 CO 0.02 0.98 0.36 0.35 -2.65 0.00 0.00 178.83 177.89 1usu h PHE 142 N 0.02 0.61 -0.52 3.99 3.57 -1.22 -1.06 116.94 122.34 1usu h PHE 142 Ca -0.09 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1usu h PHE 142 Cb 1.87 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.43 1usu h PHE 142 CO 0.02 0.07 0.32 0.78 -2.23 0.00 0.00 178.31 177.26 1usu h GLY 143 N 0.48 0.74 0.98 2.40 0.00 -1.71 0.45 103.07 106.42 1usu h GLY 143 Ca 0.47 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1usu h GLY 143 CO -0.43 0.29 -0.32 0.50 0.00 0.00 0.00 176.54 176.59 1usu h LYS 144 N 0.69 -0.85 -0.96 4.80 1.57 -1.57 -2.60 116.57 117.65 1usu h LYS 144 Ca 0.19 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.14 1usu h LYS 144 Cb -0.02 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 1usu h LYS 144 CO -0.04 -0.56 0.61 -0.44 -0.57 0.00 0.00 179.45 178.45 1usu h ASP 145 N -0.92 0.86 -0.46 0.86 5.19 -1.01 -0.99 116.42 119.95 1usu h ASP 145 Ca -0.09 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1usu h ASP 145 Cb 0.69 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 1usu h ASP 145 CO 0.15 0.47 0.29 0.25 -3.12 0.00 0.00 179.24 177.29 1usu h LEU 146 N 0.93 0.50 0.01 1.55 5.85 0.16 -2.99 115.31 121.33 1usu h LEU 146 Ca 0.46 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.13 1usu h LEU 146 Cb 0.48 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1usu h LEU 146 CO -0.23 0.36 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.98 1usu h LEU 147 N 0.60 0.14 -1.67 2.25 3.38 -1.10 -2.41 115.31 116.50 1usu h LEU 147 Ca 0.17 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1usu h LEU 147 Cb -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1usu h LEU 147 CO -0.05 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.46 1usu n ALA 148 N -2.56 1.84 0.00 1.53 0.00 -0.41 0.23 120.51 121.13 1usu n ALA 148 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1usu n ALA 148 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1usu n ALA 148 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1usu n THR 149 N 0.62 0.00 -0.76 0.00 -1.04 -1.13 -4.87 114.28 107.09 1usu n THR 149 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1usu n THR 149 Cb 0.18 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1usu n THR 149 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1usu n HIS 150 N -0.12 0.00 -0.12 -1.42 8.25 -0.61 -4.77 115.22 116.43 1usu n HIS 150 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1usu n HIS 150 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.03 1usu n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1usu n GLY 151 N 0.00 -0.37 0.00 -1.41 0.00 0.61 -4.15 105.19 99.88 1usu n GLY 151 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1usu n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1usu n ASN 152 N -3.91 0.00 0.00 1.61 5.03 -0.81 -4.89 115.26 112.29 1usu n ASN 152 Ca -0.45 -0.34 0.07 0.00 0.87 0.00 0.00 54.58 54.73 1usu n ASN 152 Cb 0.84 -0.15 0.41 0.00 -1.02 0.00 0.00 39.78 39.86 1usu n ASN 152 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90