#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtd n ALA 25 N 0.00 2.04 -2.64 5.20 0.00 -1.26 -5.09 120.51 118.76 1xtd n ALA 25 Ca 0.00 -1.71 -0.43 0.00 0.00 0.00 0.00 53.44 51.30 1xtd n ALA 25 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 1xtd n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xtd s SER 26 N -1.78 7.14 0.00 0.00 0.15 -1.26 -4.96 113.70 112.98 1xtd s SER 26 Ca 0.15 1.49 0.15 0.00 0.70 0.00 0.00 55.95 58.44 1xtd s SER 26 Cb 0.13 -2.55 0.36 0.00 -1.71 0.00 0.00 66.02 62.26 1xtd s SER 26 CO 0.01 -0.59 1.28 0.29 1.20 0.00 0.00 173.24 175.43 1xtd n LYS 27 N 5.80 2.45 -4.37 5.44 5.02 -1.26 -4.96 118.16 126.28 1xtd n LYS 27 Ca 0.11 -2.09 -0.19 0.00 -2.02 0.00 0.00 58.31 54.12 1xtd n LYS 27 Cb 0.47 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1xtd n LYS 27 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xtd s THR 28 N -1.07 0.67 0.14 -0.18 -4.23 -1.26 -1.68 115.64 108.02 1xtd s THR 28 Ca 0.30 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1xtd s THR 28 Cb 0.16 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1xtd s THR 28 CO 0.22 0.00 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.56 1xtd s TYR 29 N -3.56 1.06 0.99 3.99 -0.85 -0.09 -4.90 117.35 113.99 1xtd s TYR 29 Ca 0.36 -1.00 -0.16 0.00 -0.52 0.00 0.00 57.07 55.75 1xtd s TYR 29 Cb 0.07 -0.61 0.20 0.00 0.38 0.00 0.00 41.96 42.01 1xtd s TYR 29 CO 0.15 -0.21 1.27 -2.14 -1.52 0.00 0.00 175.55 173.09 1xtd s PRO 30 N -3.89 0.42 -0.13 -3.49 0.02 -1.26 -0.19 135.00 126.47 1xtd s PRO 30 Ca 0.19 -0.28 -0.06 0.00 0.02 0.00 0.00 61.00 60.88 1xtd s PRO 30 Cb 0.06 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 1xtd s PRO 30 CO 0.00 -2.58 0.08 0.00 -0.33 0.00 0.00 177.00 174.17 1xtd s ALA 32 N -3.68 3.58 0.54 -1.55 0.00 -1.26 -4.87 121.76 114.53 1xtd s ALA 32 Ca 0.72 -0.72 0.25 0.00 0.00 0.00 0.00 51.96 52.22 1xtd s ALA 32 Cb -0.06 -1.84 1.44 0.00 0.00 0.00 0.00 23.12 22.66 1xtd s ALA 32 CO 0.53 0.47 2.03 0.00 0.00 0.00 0.00 175.76 178.79 1xtd h ALA 33 N 5.58 2.29 0.00 0.00 0.00 -0.24 -1.45 119.26 125.44 1xtd h ALA 33 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xtd h ALA 33 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xtd h ALA 33 CO 0.61 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1xtd n GLY 34 N -1.58 -1.22 0.57 0.00 0.00 -0.96 -2.58 105.19 99.43 1xtd n GLY 34 Ca 0.07 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1xtd n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtd n ALA 35 N -1.39 2.94 -1.81 4.61 0.00 -0.55 -4.94 120.51 119.37 1xtd n ALA 35 Ca 0.09 -0.57 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 1xtd n ALA 35 Cb 0.24 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1xtd n ALA 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xtd s LEU 36 N -2.25 4.54 0.07 0.00 1.43 -1.06 -5.04 118.68 116.37 1xtd s LEU 36 Ca 0.26 2.23 0.08 0.00 -1.03 0.00 0.00 54.13 55.67 1xtd s LEU 36 Cb 0.19 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 1xtd s LEU 36 CO 0.43 -0.15 -0.21 -0.54 0.23 0.00 0.00 176.35 176.11 1xtd s LYS 37 N -1.23 1.29 -0.11 1.70 1.02 -1.26 -5.08 119.74 116.08 1xtd s LYS 37 Ca 0.45 -1.03 -0.38 0.00 0.02 0.00 0.00 55.97 55.03 1xtd s LYS 37 Cb -0.31 -1.47 -0.15 0.00 -0.52 0.00 0.00 37.83 35.37 1xtd s LYS 37 CO 0.40 0.36 1.63 1.17 -0.92 0.00 0.00 175.35 177.99 1xtd n LYS 38 N 1.55 1.37 0.00 1.68 4.81 -1.26 -0.88 118.16 125.43 1xtd n LYS 38 Ca -0.18 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1xtd n LYS 38 Cb 0.53 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1xtd n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xtd n GLY 39 N 3.67 2.57 3.93 3.14 0.00 -0.13 -5.01 105.19 113.35 1xtd n GLY 39 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1xtd n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xtd s GLY 40 N -2.42 1.68 0.14 -0.02 0.00 -0.06 -4.64 107.32 102.00 1xtd s GLY 40 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 1xtd s GLY 40 CO 0.00 -0.51 0.32 -0.19 0.00 0.00 0.00 173.10 172.72 1xtd s TYR 41 N -3.20 3.49 -0.09 1.90 2.02 -1.26 0.81 117.35 121.03 1xtd s TYR 41 Ca 0.59 0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 57.37 1xtd s TYR 41 Cb -0.11 -1.84 0.06 0.00 -0.40 0.00 0.00 41.96 39.68 1xtd s TYR 41 CO 0.45 0.48 0.60 0.54 -1.57 0.00 0.00 175.55 176.04 1xtd s VAL 42 N -1.69 0.01 -0.16 0.71 0.11 -0.46 -4.72 120.40 114.21 1xtd s VAL 42 Ca 0.37 -0.09 -0.18 0.00 -2.93 0.00 0.00 61.98 59.15 1xtd s VAL 42 Cb -0.12 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1xtd s VAL 42 CO 0.27 -0.05 0.50 0.00 -3.33 0.00 0.00 175.10 172.50 1xtd s ILE 44 N 1.13 1.67 -0.94 0.00 1.01 -0.43 -4.71 121.20 118.93 1xtd s ILE 44 Ca 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1xtd s ILE 44 Cb -0.15 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1xtd s ILE 44 CO 0.10 0.47 0.00 0.59 0.00 0.00 0.00 174.94 176.10 1xtd n ASN 45 N 2.64 -3.58 -1.00 3.58 3.02 -1.26 0.22 115.26 118.88 1xtd n ASN 45 Ca -0.16 0.23 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1xtd n ASN 45 Cb 0.53 -3.06 -0.03 0.00 -0.61 0.00 0.00 39.78 36.61 1xtd n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xtd n GLY 46 N -0.77 0.59 3.27 7.41 0.00 -1.26 -5.03 105.19 109.40 1xtd n GLY 46 Ca -0.13 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1xtd n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xtd s ARG 47 N -3.68 1.89 -0.21 1.61 1.81 0.13 -5.08 118.95 115.43 1xtd s ARG 47 Ca 0.00 -0.85 -0.23 0.00 -1.72 0.00 0.00 55.73 52.93 1xtd s ARG 47 Cb 0.00 -1.84 -0.02 0.00 -0.45 0.00 0.00 34.95 32.64 1xtd s ARG 47 CO 0.00 0.50 0.72 -1.25 -0.68 0.00 0.00 175.30 174.59 1xtd s PRO 48 N -0.58 4.22 0.13 3.54 0.04 -1.26 -1.32 135.00 139.76 1xtd s PRO 48 Ca 0.09 0.77 0.05 0.00 0.04 0.00 0.00 61.00 61.95 1xtd s PRO 48 Cb -0.09 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1xtd s PRO 48 CO -0.01 -0.33 -0.13 0.00 0.04 0.00 0.00 177.00 176.57 1xtd s LYS 50 N -2.92 3.83 -0.06 0.00 2.20 -0.28 -1.35 119.74 121.15 1xtd s LYS 50 Ca 0.11 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1xtd s LYS 50 Cb -0.03 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 1xtd s LYS 50 CO 0.02 0.23 1.65 0.08 -0.36 0.00 0.00 175.35 176.97 1xtd s VAL 51 N 0.45 3.60 -0.06 4.02 1.01 0.24 -0.48 120.40 129.19 1xtd s VAL 51 Ca 0.00 0.72 0.18 0.00 0.00 0.00 0.00 61.98 62.88 1xtd s VAL 51 Cb -0.13 -3.48 -0.27 0.00 0.00 0.00 0.00 36.38 32.50 1xtd s VAL 51 CO 0.02 -0.07 0.32 2.30 0.00 0.00 0.00 175.10 177.67 1xtd n ILE 52 N 5.53 0.26 -3.82 2.22 -5.35 0.08 -0.96 119.36 117.31 1xtd n ILE 52 Ca 0.17 -0.49 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 1xtd n ILE 52 Cb 0.43 -0.06 -0.13 0.00 -1.74 0.00 0.00 39.64 38.14 1xtd n ILE 52 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1xtd s ASP 53 N -4.33 -0.14 -0.03 7.28 1.01 -0.56 -4.94 116.67 114.96 1xtd s ASP 53 Ca -0.07 0.27 0.01 0.00 0.71 0.00 0.00 52.55 53.47 1xtd s ASP 53 Cb 0.10 0.28 0.03 0.00 1.01 0.00 0.00 42.92 44.34 1xtd s ASP 53 CO 0.75 -0.05 -0.01 -0.22 0.21 0.00 0.00 175.17 175.84 1xtd s LEU 54 N 0.05 1.19 0.00 1.23 1.98 -1.26 -0.71 118.68 121.17 1xtd s LEU 54 Ca -0.00 -0.05 0.01 0.00 -2.89 0.00 0.00 54.13 51.20 1xtd s LEU 54 Cb -0.01 -0.28 -0.00 0.00 0.66 0.00 0.00 46.19 46.55 1xtd s LEU 54 CO 0.00 -0.09 -0.03 -0.55 -1.89 0.00 0.00 176.35 173.79 1xtd s SER 55 N 1.01 0.37 -0.06 3.68 0.15 0.11 -5.02 113.70 113.94 1xtd s SER 55 Ca -0.10 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1xtd s SER 55 Cb -0.14 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1xtd s SER 55 CO -0.01 0.02 -0.08 -0.69 1.20 0.00 0.00 173.24 173.67 1xtd s VAL 56 N -0.17 0.87 0.65 4.45 1.01 -1.26 -0.07 120.40 125.87 1xtd s VAL 56 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1xtd s VAL 56 Cb -0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1xtd s VAL 56 CO -0.00 0.30 1.04 -0.94 0.00 0.00 0.00 175.10 175.50 1xtd s SER 57 N 0.90 5.85 0.00 3.32 1.04 -0.37 -5.01 113.70 119.43 1xtd s SER 57 Ca -0.11 1.53 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1xtd s SER 57 Cb -0.15 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1xtd s SER 57 CO 0.01 -1.13 0.00 0.29 0.98 0.00 0.00 173.24 173.39 1xtd n LYS 58 N -2.85 0.00 0.00 4.02 5.02 -1.26 -4.33 118.16 118.76 1xtd n LYS 58 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1xtd n LYS 58 Cb 0.54 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1xtd n LYS 58 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xtd n THR 59 N 0.00 0.00 0.00 -0.18 -2.24 -1.26 -4.56 114.28 106.03 1xtd n THR 59 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xtd n THR 59 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1xtd n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xtd n GLY 60 N 2.81 1.70 0.00 3.38 0.00 0.28 -4.48 105.19 108.88 1xtd n GLY 60 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1xtd n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xtd n LYS 61 N 0.00 0.69 -2.79 1.61 5.02 -1.26 -4.89 118.16 116.54 1xtd n LYS 61 Ca 0.00 -0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 55.99 1xtd n LYS 61 Cb 0.00 -0.63 0.05 0.00 -0.02 0.00 0.00 35.03 34.42 1xtd n LYS 61 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1xtd n HIS 62 N -0.15 -0.37 -0.80 2.13 -0.00 -1.26 -4.95 115.22 109.81 1xtd n HIS 62 Ca 0.00 -2.73 0.00 0.00 0.46 0.00 0.00 57.72 55.45 1xtd n HIS 62 Cb 0.08 0.31 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 1xtd n HIS 62 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xtd n GLY 63 N -0.07 0.00 3.58 1.57 0.00 -1.26 -4.91 105.19 104.09 1xtd n GLY 63 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1xtd n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xtd s HIS 64 N -0.99 3.05 0.12 1.61 4.02 -1.26 -4.69 115.29 117.14 1xtd s HIS 64 Ca 0.00 0.47 0.07 0.00 1.02 0.00 0.00 55.06 56.62 1xtd s HIS 64 Cb 0.00 -3.60 -0.04 0.00 -1.02 0.00 0.00 32.58 27.92 1xtd s HIS 64 CO 0.00 -0.87 -0.05 0.00 1.02 0.00 0.00 174.74 174.84 1xtd s ALA 65 N 3.32 3.09 -0.18 -1.40 0.00 -1.26 -0.56 121.76 124.77 1xtd s ALA 65 Ca 0.33 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 1xtd s ALA 65 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1xtd s ALA 65 CO 0.20 0.61 0.02 0.21 0.00 0.00 0.00 175.76 176.81 1xtd s LYS 66 N -2.43 3.83 -0.24 0.00 2.20 -1.26 -0.79 119.74 121.06 1xtd s LYS 66 Ca 0.24 -0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 55.32 1xtd s LYS 66 Cb -0.11 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.06 1xtd s LYS 66 CO 0.16 0.22 0.18 0.08 -0.36 0.00 0.00 175.35 175.63 1xtd s VAL 67 N 0.47 5.35 -0.25 4.02 1.01 0.33 -1.24 120.40 130.09 1xtd s VAL 67 Ca 0.01 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1xtd s VAL 67 Cb -0.13 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1xtd s VAL 67 CO 0.02 0.34 0.04 -0.44 0.00 0.00 0.00 175.10 175.05 1xtd s SER 68 N 1.07 4.92 -0.12 3.32 0.01 0.90 -1.32 113.70 122.49 1xtd s SER 68 Ca 0.08 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 1xtd s SER 68 Cb -0.14 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 1xtd s SER 68 CO 0.05 -0.05 -0.08 -0.63 0.41 0.00 0.00 173.24 172.95 1xtd s ILE 69 N 1.57 3.58 -0.18 1.44 1.01 0.15 0.10 121.20 128.87 1xtd s ILE 69 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1xtd s ILE 69 Cb -0.15 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1xtd s ILE 69 CO 0.02 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.62 1xtd s VAL 70 N -0.04 2.20 0.09 2.92 1.01 0.12 -1.94 120.40 124.76 1xtd s VAL 70 Ca -0.00 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1xtd s VAL 70 Cb -0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1xtd s VAL 70 CO 0.03 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.52 1xtd s ALA 71 N 1.24 1.29 -0.18 5.51 0.00 -0.22 -0.74 121.76 128.66 1xtd s ALA 71 Ca 0.03 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 1xtd s ALA 71 Cb -0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1xtd s ALA 71 CO -0.10 0.12 0.09 0.99 0.00 0.00 0.00 175.76 176.86 1xtd s THR 72 N -1.75 5.08 0.14 0.00 2.01 0.37 -0.53 115.64 120.96 1xtd s THR 72 Ca 0.03 0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.79 1xtd s THR 72 Cb -0.07 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1xtd s THR 72 CO 0.02 0.47 1.53 -0.62 -0.69 0.00 0.00 174.62 175.34 1xtd s ASP 73 N 0.19 6.65 0.47 3.53 -1.08 -0.49 -1.12 116.67 124.82 1xtd s ASP 73 Ca 0.06 2.53 0.27 0.00 -0.52 0.00 0.00 52.55 54.89 1xtd s ASP 73 Cb -0.12 -2.59 0.89 0.00 -1.46 0.00 0.00 42.92 39.65 1xtd s ASP 73 CO -0.00 -0.79 1.81 0.16 0.52 0.00 0.00 175.17 176.87 1xtd h ILE 74 N 4.15 0.22 0.00 4.11 3.07 -1.78 -0.72 117.51 126.57 1xtd h ILE 74 Ca -0.42 -0.93 -0.42 0.00 1.55 0.00 0.00 64.86 64.63 1xtd h ILE 74 Cb 1.20 1.77 -0.07 0.00 -0.27 0.00 0.00 36.82 39.46 1xtd h ILE 74 CO 0.90 0.10 -2.45 0.49 -1.05 0.00 0.00 178.15 176.14 1xtd n PHE 75 N -3.19 0.09 0.09 0.16 3.72 -1.26 -4.68 117.46 112.39 1xtd n PHE 75 Ca 0.01 0.03 0.10 0.00 -0.05 0.00 0.00 57.45 57.55 1xtd n PHE 75 Cb 0.43 -1.01 -0.02 0.00 -0.94 0.00 0.00 39.48 37.94 1xtd n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1xtd n THR 76 N -3.80 0.64 -0.83 4.37 -2.24 -1.25 -4.95 114.28 106.22 1xtd n THR 76 Ca -0.49 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1xtd n THR 76 Cb 0.93 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1xtd n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xtd n GLY 77 N 1.21 0.65 3.76 3.38 0.00 -0.28 -4.99 105.19 108.91 1xtd n GLY 77 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1xtd n GLY 77 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xtd s ASN 78 N -2.19 7.48 -0.06 1.61 0.01 -1.26 -4.65 114.94 115.88 1xtd s ASN 78 Ca 0.00 1.76 -0.30 0.00 -0.71 0.00 0.00 52.86 53.61 1xtd s ASN 78 Cb 0.00 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 1xtd s ASN 78 CO 0.00 0.12 1.08 -0.60 -1.51 0.00 0.00 177.10 176.19 1xtd s ARG 79 N -0.84 4.42 0.14 -0.60 3.52 -1.26 -1.39 118.95 122.93 1xtd s ARG 79 Ca 0.40 1.51 0.09 0.00 -0.13 0.00 0.00 55.73 57.60 1xtd s ARG 79 Cb -0.24 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1xtd s ARG 79 CO 0.29 -0.31 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.74 1xtd s LEU 80 N 1.86 2.36 -0.01 -0.88 1.43 0.30 -5.00 118.68 118.75 1xtd s LEU 80 Ca 0.52 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1xtd s LEU 80 Cb -0.21 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1xtd s LEU 80 CO 0.21 0.06 -0.20 -1.61 0.23 0.00 0.00 176.35 175.04 1xtd s GLU 81 N -2.27 1.61 -0.12 1.70 2.02 -1.26 -1.05 118.70 119.33 1xtd s GLU 81 Ca 0.12 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.26 1xtd s GLU 81 Cb -0.09 -1.58 0.04 0.00 0.10 0.00 0.00 34.13 32.60 1xtd s GLU 81 CO 0.06 0.43 0.30 0.34 0.02 0.00 0.00 175.26 176.41 1xtd s ASP 82 N -0.59 -0.32 0.11 -0.19 2.15 -0.82 -5.01 116.67 112.01 1xtd s ASP 82 Ca 0.08 0.61 0.09 0.00 0.43 0.00 0.00 52.55 53.76 1xtd s ASP 82 Cb -0.08 0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 1xtd s ASP 82 CO -0.00 -0.13 -0.20 -1.10 -0.17 0.00 0.00 175.17 173.57 1xtd s GLN 83 N 0.61 1.75 -0.18 4.34 1.11 -1.26 -0.68 119.66 125.36 1xtd s GLN 83 Ca -0.04 -1.18 -0.25 0.00 0.01 0.00 0.00 55.36 53.90 1xtd s GLN 83 Cb -0.05 -2.08 0.06 0.00 -1.01 0.00 0.00 33.01 29.93 1xtd s GLN 83 CO -0.04 0.48 0.64 0.00 0.01 0.00 0.00 175.29 176.39 1xtd s ALA 84 N -1.10 -1.61 0.57 6.09 0.00 -0.43 -5.01 121.76 120.26 1xtd s ALA 84 Ca 0.17 1.61 -0.19 0.00 0.00 0.00 0.00 51.96 53.54 1xtd s ALA 84 Cb -0.10 -0.70 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 1xtd s ALA 84 CO 0.09 -0.32 0.75 -2.30 0.00 0.00 0.00 175.76 173.97 1xtd n PRO 85 N 2.12 0.73 0.27 0.00 -0.02 -1.26 -0.51 135.00 136.32 1xtd n PRO 85 Ca -0.16 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1xtd n PRO 85 Cb 0.56 -1.91 0.76 0.00 -0.02 0.00 0.00 33.50 32.89 1xtd n PRO 85 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xtd h SER 86 N 0.46 0.00 0.61 2.55 4.64 -1.32 -2.38 113.55 118.12 1xtd h SER 86 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1xtd h SER 86 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1xtd h SER 86 CO 0.49 0.09 -0.71 0.35 -0.87 0.00 0.00 176.83 176.19 1xtd n THR 87 N -3.73 0.19 -2.07 2.95 -2.24 -1.26 -2.26 114.28 105.86 1xtd n THR 87 Ca -0.02 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1xtd n THR 87 Cb 0.20 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1xtd n THR 87 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1xtd s HIS 88 N -3.12 3.10 -0.54 4.78 5.04 -0.90 -4.77 115.29 118.89 1xtd s HIS 88 Ca 0.07 1.05 -0.19 0.00 -1.54 0.00 0.00 55.06 54.44 1xtd s HIS 88 Cb 0.15 -3.76 0.07 0.00 0.04 0.00 0.00 32.58 29.08 1xtd s HIS 88 CO 0.74 -2.49 0.68 -0.80 -2.34 0.00 0.00 174.74 170.53 1xtd s ASN 89 N 0.44 6.22 0.88 9.88 0.01 -1.26 -0.01 114.94 131.10 1xtd s ASN 89 Ca 0.60 -1.02 -0.12 0.00 -0.71 0.00 0.00 52.86 51.61 1xtd s ASN 89 Cb -0.40 -2.31 0.12 0.00 0.41 0.00 0.00 41.25 39.07 1xtd s ASN 89 CO 0.40 -0.99 1.09 0.68 -1.51 0.00 0.00 177.10 176.78 1xtd s VAL 90 N 2.78 2.69 -0.14 1.60 -7.23 -1.26 -4.95 120.40 113.88 1xtd s VAL 90 Ca 0.15 0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 60.46 1xtd s VAL 90 Cb -0.20 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1xtd s VAL 90 CO 0.11 -0.29 0.15 -1.61 -0.31 0.00 0.00 175.10 173.15 1xtd s GLU 91 N -5.00 3.71 -0.15 4.82 0.41 -1.26 -4.30 118.70 116.93 1xtd s GLU 91 Ca 0.63 -0.13 -0.02 0.00 -0.41 0.00 0.00 54.97 55.04 1xtd s GLU 91 Cb -0.17 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 28.89 1xtd s GLU 91 CO 0.56 0.61 -0.08 0.08 -0.49 0.00 0.00 175.26 175.94 1xtd s VAL 92 N -0.55 3.47 0.32 2.63 1.01 0.74 -1.08 120.40 126.93 1xtd s VAL 92 Ca 0.13 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1xtd s VAL 92 Cb -0.12 -2.50 -0.10 0.00 0.00 0.00 0.00 36.38 33.66 1xtd s VAL 92 CO 0.02 0.50 1.29 -2.16 0.00 0.00 0.00 175.10 174.76 1xtd s PRO 93 N 0.46 4.38 -0.05 2.72 0.04 -1.26 -0.91 135.00 140.38 1xtd s PRO 93 Ca -0.06 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1xtd s PRO 93 Cb -0.15 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1xtd s PRO 93 CO 0.04 -0.16 1.31 -0.06 0.04 0.00 0.00 177.00 178.16 1xtd s PHE 94 N -1.04 2.97 -0.23 0.56 0.08 -0.68 -4.89 117.98 114.74 1xtd s PHE 94 Ca 0.49 0.99 -0.05 0.00 0.12 0.00 0.00 56.93 58.48 1xtd s PHE 94 Cb -0.39 -3.55 -0.02 0.00 -0.57 0.00 0.00 43.02 38.50 1xtd s PHE 94 CO 0.51 -1.91 -0.00 0.08 -0.10 0.00 0.00 175.22 173.79 1xtd s VAL 95 N 2.51 3.69 0.16 -0.44 1.01 -1.26 -4.53 120.40 121.54 1xtd s VAL 95 Ca 0.60 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1xtd s VAL 95 Cb -0.27 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1xtd s VAL 95 CO 0.23 0.40 0.31 -0.54 0.00 0.00 0.00 175.10 175.50 1xtd s LYS 96 N 1.51 3.46 -0.05 2.72 -0.14 -0.86 -4.98 119.74 121.40 1xtd s LYS 96 Ca 0.06 -0.54 -0.01 0.00 -1.36 0.00 0.00 55.97 54.11 1xtd s LYS 96 Cb -0.15 -2.94 0.03 0.00 -1.68 0.00 0.00 37.83 33.10 1xtd s LYS 96 CO -0.01 0.49 0.03 0.99 -0.76 0.00 0.00 175.35 176.09 1xtd s THR 97 N -1.78 0.10 -0.03 2.17 2.01 -1.26 -1.81 115.64 115.05 1xtd s THR 97 Ca 0.35 0.25 0.05 0.00 0.31 0.00 0.00 61.69 62.65 1xtd s THR 97 Cb -0.11 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1xtd s THR 97 CO 0.29 0.19 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.88 1xtd s PHE 98 N 1.81 1.58 -0.15 4.92 0.40 -0.23 -4.99 117.98 121.31 1xtd s PHE 98 Ca 0.01 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1xtd s PHE 98 Cb -0.12 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1xtd s PHE 98 CO -0.03 -0.10 0.03 0.99 0.70 0.00 0.00 175.22 176.81 1xtd s THR 99 N -0.15 4.50 0.20 0.64 2.01 -1.26 -0.24 115.64 121.34 1xtd s THR 99 Ca 0.01 -0.15 0.10 0.00 0.31 0.00 0.00 61.69 61.97 1xtd s THR 99 Cb -0.09 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1xtd s THR 99 CO 0.01 0.51 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.92 1xtd s TYR 100 N 0.05 2.13 -0.08 4.92 2.02 -0.17 -4.54 117.35 121.68 1xtd s TYR 100 Ca 0.04 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.26 1xtd s TYR 100 Cb -0.13 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1xtd s TYR 100 CO 0.01 0.48 0.20 0.45 -1.57 0.00 0.00 175.55 175.12 1xtd s SER 101 N -2.83 6.47 -0.18 2.29 0.15 -1.26 -1.75 113.70 116.58 1xtd s SER 101 Ca 0.21 0.55 -0.19 0.00 0.70 0.00 0.00 55.95 57.22 1xtd s SER 101 Cb -0.06 -2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1xtd s SER 101 CO 0.10 0.38 0.53 -0.69 1.20 0.00 0.00 173.24 174.76 1xtd s VAL 102 N -1.08 5.11 -0.14 4.45 1.01 -0.51 -4.32 120.40 124.92 1xtd s VAL 102 Ca 0.18 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.23 1xtd s VAL 102 Cb -0.13 -3.86 -0.23 0.00 0.00 0.00 0.00 36.38 32.16 1xtd s VAL 102 CO 0.07 0.20 0.27 0.18 0.00 0.00 0.00 175.10 175.83 1xtd n LEU 103 N 4.57 1.58 -3.51 3.92 4.77 0.86 -4.69 117.00 124.50 1xtd n LEU 103 Ca -0.05 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 1xtd n LEU 103 Cb 0.51 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1xtd n LEU 103 CO 0.43 0.65 0.53 -0.62 -1.33 0.00 0.00 177.39 177.05 1xtd s ASP 104 N -6.30 -0.55 -0.15 -1.43 2.15 -1.20 -5.01 116.67 104.17 1xtd s ASP 104 Ca -0.17 0.45 0.01 0.00 0.43 0.00 0.00 52.55 53.28 1xtd s ASP 104 Cb 0.07 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 1xtd s ASP 104 CO 0.77 -0.61 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.33 1xtd s ILE 105 N -1.81 1.93 -0.13 4.11 1.01 -1.26 -1.66 121.20 123.40 1xtd s ILE 105 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1xtd s ILE 105 Cb -0.00 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1xtd s ILE 105 CO 0.02 0.52 -0.21 -1.10 0.00 0.00 0.00 174.94 174.17 1xtd s GLN 106 N 1.13 2.92 0.50 2.79 -1.52 -0.77 -4.97 119.66 119.75 1xtd s GLN 106 Ca -0.00 -0.82 -0.22 0.00 -1.95 0.00 0.00 55.36 52.37 1xtd s GLN 106 Cb -0.14 -2.34 -0.07 0.00 -0.22 0.00 0.00 33.01 30.24 1xtd s GLN 106 CO -0.08 0.02 1.15 -0.35 -0.25 0.00 0.00 175.29 175.77 1xtd n PRO 107 N 3.98 1.45 -1.39 2.91 -0.04 -1.26 -0.16 135.00 140.50 1xtd n PRO 107 Ca -0.20 0.53 -0.33 0.00 -0.04 0.00 0.00 63.50 63.46 1xtd n PRO 107 Cb 0.52 -2.29 0.09 0.00 -0.04 0.00 0.00 33.50 31.78 1xtd n PRO 107 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1xtd s ASN 108 N -0.88 4.27 0.31 3.54 3.84 -1.26 -4.73 114.94 120.04 1xtd s ASN 108 Ca 0.68 2.18 0.05 0.00 0.21 0.00 0.00 52.86 55.98 1xtd s ASN 108 Cb -0.47 -2.57 0.68 0.00 -0.55 0.00 0.00 41.25 38.34 1xtd s ASN 108 CO 0.52 -2.20 1.83 -0.08 -2.79 0.00 0.00 177.10 174.38 1xtd h GLU 109 N -0.54 0.83 -5.02 0.43 4.57 -1.94 -3.31 114.58 109.59 1xtd h GLU 109 Ca -0.46 -0.05 -0.68 0.00 -1.18 0.00 0.00 59.36 56.99 1xtd h GLU 109 Cb 1.27 -0.19 -0.18 0.00 -0.16 0.00 0.00 28.75 29.50 1xtd h GLU 109 CO 0.50 0.55 0.11 0.34 -1.18 0.00 0.00 179.01 179.32 1xtd s ASP 110 N -5.65 6.23 0.36 1.04 -1.08 -1.26 -4.96 116.67 111.35 1xtd s ASP 110 Ca -0.11 -0.91 0.19 0.00 -0.52 0.00 0.00 52.55 51.20 1xtd s ASP 110 Cb 0.23 -2.31 1.26 0.00 -1.46 0.00 0.00 42.92 40.64 1xtd s ASP 110 CO 0.80 -0.95 1.61 -0.65 0.52 0.00 0.00 175.17 176.51 1xtd h PRO 111 N 9.05 0.12 0.00 4.34 0.11 -1.97 -1.10 132.00 142.55 1xtd h PRO 111 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1xtd h PRO 111 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1xtd h PRO 111 CO 0.99 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.73 1xtd n SER 112 N -5.14 0.00 -4.92 -2.05 3.41 -1.26 -4.82 113.62 98.84 1xtd n SER 112 Ca 0.36 -0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.65 1xtd n SER 112 Cb 1.19 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1xtd n SER 112 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xtd s LEU 113 N -2.59 4.11 0.41 1.04 1.43 -0.42 -5.07 118.68 117.60 1xtd s LEU 113 Ca 0.23 0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 53.59 1xtd s LEU 113 Cb 0.17 -3.33 -0.10 0.00 0.03 0.00 0.00 46.19 42.96 1xtd s LEU 113 CO 0.38 -0.16 1.44 -0.81 0.23 0.00 0.00 176.35 177.43 1xtd n PRO 114 N -1.04 2.41 -1.69 1.29 -0.04 -1.26 -4.46 135.00 130.21 1xtd n PRO 114 Ca -0.04 0.85 -0.34 0.00 -0.04 0.00 0.00 63.50 63.94 1xtd n PRO 114 Cb 0.54 -2.61 0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1xtd n PRO 114 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1xtd s SER 115 N -0.32 4.87 0.28 3.54 0.01 -1.26 -4.38 113.70 116.44 1xtd s SER 115 Ca 0.57 2.12 -0.19 0.00 1.31 0.00 0.00 55.95 59.76 1xtd s SER 115 Cb -0.47 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.10 1xtd s SER 115 CO 0.61 -1.80 0.78 -1.00 0.41 0.00 0.00 173.24 172.24 1xtd s HIS 116 N -2.19 3.55 -0.06 2.43 3.76 0.78 -4.61 115.29 118.96 1xtd s HIS 116 Ca 0.70 1.42 0.03 0.00 -0.15 0.00 0.00 55.06 57.05 1xtd s HIS 116 Cb -0.23 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 1xtd s HIS 116 CO 0.42 0.21 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.88 1xtd s LEU 117 N -2.36 2.83 -0.28 0.89 1.43 -0.72 -1.85 118.68 118.63 1xtd s LEU 117 Ca 0.49 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1xtd s LEU 117 Cb -0.15 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1xtd s LEU 117 CO 0.20 0.34 0.08 -0.55 0.23 0.00 0.00 176.35 176.65 1xtd s SER 118 N -0.69 5.17 0.00 2.29 0.15 -0.66 -4.44 113.70 115.52 1xtd s SER 118 Ca 0.10 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1xtd s SER 118 Cb -0.11 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1xtd s SER 118 CO 0.01 -0.13 0.00 0.18 1.20 0.00 0.00 173.24 174.50 1xtd n LEU 119 N 4.91 0.00 0.00 3.45 4.77 -0.90 -0.10 117.00 129.13 1xtd n LEU 119 Ca -0.15 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.66 1xtd n LEU 119 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1xtd n LEU 119 CO 0.32 0.00 -0.08 -0.90 -1.33 0.00 0.00 177.39 175.40 1xtd n ASP 121 N -0.50 -0.64 0.00 -1.43 5.68 -0.85 -1.05 116.55 117.75 1xtd n ASP 121 Ca 0.00 -2.92 0.13 0.00 -0.50 0.00 0.00 54.79 51.51 1xtd n ASP 121 Cb 0.00 1.50 0.72 0.00 -1.14 0.00 0.00 41.12 42.20 1xtd n ASP 121 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1xtd n ASP 122 N -1.84 0.00 -0.66 -1.12 5.75 -1.26 -3.11 116.55 114.30 1xtd n ASP 122 Ca 0.07 -0.32 0.10 0.00 -0.01 0.00 0.00 54.79 54.62 1xtd n ASP 122 Cb 0.53 -0.20 0.05 0.00 -1.03 0.00 0.00 41.12 40.47 1xtd n ASP 122 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xtd n GLU 123 N -1.20 1.66 -0.29 0.11 1.02 -1.26 -4.98 120.64 115.70 1xtd n GLU 123 Ca 0.15 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 1xtd n GLU 123 Cb 0.18 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1xtd n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xtd n GLY 124 N 1.17 0.84 3.53 0.62 0.00 -1.18 -5.08 105.19 105.09 1xtd n GLY 124 Ca 0.10 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1xtd n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xtd s GLU 125 N -0.65 3.75 0.31 1.61 0.41 -1.26 -4.95 118.70 117.92 1xtd s GLU 125 Ca 0.00 -0.47 -0.02 0.00 -0.41 0.00 0.00 54.97 54.07 1xtd s GLU 125 Cb 0.00 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.27 1xtd s GLU 125 CO 0.00 0.20 0.54 -1.54 -0.49 0.00 0.00 175.26 173.97 1xtd s SER 126 N 0.50 6.37 -0.00 -0.19 1.04 -1.26 -2.02 113.70 118.14 1xtd s SER 126 Ca -0.01 0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.99 1xtd s SER 126 Cb -0.14 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1xtd s SER 126 CO 0.02 -0.23 0.01 0.00 0.98 0.00 0.00 173.24 174.01 1xtd s ARG 127 N -3.89 0.00 0.00 4.02 1.70 -0.22 -4.99 118.95 115.58 1xtd s ARG 127 Ca 0.42 0.02 0.08 0.00 -0.47 0.00 0.00 55.73 55.77 1xtd s ARG 127 Cb -0.10 -0.01 0.17 0.00 -0.57 0.00 0.00 34.95 34.43 1xtd s ARG 127 CO 0.33 -0.01 1.04 0.39 -1.08 0.00 0.00 175.30 175.97 1xtd n GLU 128 N 3.14 2.01 0.05 3.89 -0.58 -1.26 -2.11 120.64 125.78 1xtd n GLU 128 Ca -0.13 -1.60 0.12 0.00 -0.42 0.00 0.00 57.16 55.14 1xtd n GLU 128 Cb 0.59 -1.18 0.26 0.00 -0.57 0.00 0.00 31.44 30.55 1xtd n GLU 128 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1xtd n ASP 129 N 0.29 0.64 -4.87 1.62 5.75 -1.26 -4.74 116.55 113.97 1xtd n ASP 129 Ca 0.07 0.18 -0.36 0.00 -0.01 0.00 0.00 54.79 54.67 1xtd n ASP 129 Cb 0.32 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 1xtd n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xtd s LEU 130 N -4.00 4.39 0.00 -2.12 1.43 -1.26 -5.03 118.68 112.09 1xtd s LEU 130 Ca 0.08 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1xtd s LEU 130 Cb 0.14 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1xtd s LEU 130 CO 0.68 0.29 0.00 0.47 0.23 0.00 0.00 176.35 178.02 1xtd n ASP 131 N 1.42 0.00 -4.80 2.29 8.00 -1.26 -1.75 116.55 120.45 1xtd n ASP 131 Ca -0.13 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.11 1xtd n ASP 131 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.58 1xtd n ASP 131 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xtd s PRO 133 N 0.80 2.89 0.50 -0.24 0.04 -1.26 -4.66 135.00 133.06 1xtd s PRO 133 Ca 0.00 -0.92 0.27 0.00 0.04 0.00 0.00 61.00 60.40 1xtd s PRO 133 Cb 0.00 -2.62 1.29 0.00 0.04 0.00 0.00 34.50 33.21 1xtd s PRO 133 CO 0.00 0.47 1.98 -1.35 0.04 0.00 0.00 177.00 178.14 1xtd h PRO 134 N 2.23 0.00 -6.31 0.56 0.11 -1.92 -3.44 132.00 123.23 1xtd h PRO 134 Ca -0.48 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.07 1xtd h PRO 134 Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.34 1xtd h PRO 134 CO 0.62 0.15 1.20 -3.47 -0.21 0.00 0.00 178.00 176.29 1xtd n ASP 135 N -3.48 3.85 0.40 -2.05 -0.08 -1.26 -4.93 116.55 109.00 1xtd n ASP 135 Ca -0.01 0.89 -0.16 0.00 -1.51 0.00 0.00 54.79 54.01 1xtd n ASP 135 Cb 0.31 -1.47 -0.08 0.00 2.34 0.00 0.00 41.12 42.23 1xtd n ASP 135 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xtd h ALA 136 N 10.31 -1.08 -0.67 -1.67 0.00 -2.00 -2.29 119.26 121.86 1xtd h ALA 136 Ca -0.49 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.30 1xtd h ALA 136 Cb 1.25 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1xtd h ALA 136 CO 0.95 -1.00 0.45 0.00 0.00 0.00 0.00 179.25 179.64 1xtd h ALA 137 N -1.34 1.96 -0.27 0.00 0.00 -1.98 -0.90 119.26 116.74 1xtd h ALA 137 Ca -0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1xtd h ALA 137 Cb 0.79 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xtd h ALA 137 CO 0.17 -0.11 -0.46 1.25 0.00 0.00 0.00 179.25 180.10 1xtd h LEU 138 N 0.49 0.86 -0.95 0.00 5.85 -1.96 -2.59 115.31 117.01 1xtd h LEU 138 Ca 0.31 -0.53 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 1xtd h LEU 138 Cb 0.56 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1xtd h LEU 138 CO -0.10 1.23 -0.35 0.00 -0.34 0.00 0.00 178.44 178.88 1xtd h ALA 139 N 0.66 1.11 -0.59 1.25 0.00 -0.71 -2.30 119.26 118.69 1xtd h ALA 139 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1xtd h ALA 139 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1xtd h ALA 139 CO 0.10 0.57 0.03 1.15 0.00 0.00 0.00 179.25 181.10 1xtd h THR 140 N 0.29 1.26 -0.66 0.00 2.02 -1.25 -2.55 112.91 112.02 1xtd h THR 140 Ca 0.03 -1.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 1xtd h THR 140 Cb 0.75 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1xtd h THR 140 CO 0.06 0.40 0.14 1.56 0.37 0.00 0.00 175.52 178.04 1xtd h GLN 141 N 0.91 1.06 0.06 6.66 1.08 -1.28 0.63 115.11 124.23 1xtd h GLN 141 Ca 0.17 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1xtd h GLN 141 Cb 0.51 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1xtd h GLN 141 CO 0.02 0.95 -0.03 0.82 -0.95 0.00 0.00 178.83 179.64 1xtd h ILE 142 N 1.00 1.17 -0.82 2.54 2.04 -1.42 -1.50 117.51 120.52 1xtd h ILE 142 Ca 0.21 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.37 1xtd h ILE 142 Cb 0.38 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 1xtd h ILE 142 CO 0.01 0.20 0.47 0.50 0.00 0.00 0.00 178.15 179.32 1xtd h LYS 143 N -0.43 0.75 -0.36 2.37 3.64 -1.29 -1.57 116.57 119.68 1xtd h LYS 143 Ca -0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1xtd h LYS 143 Cb 0.38 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xtd h LYS 143 CO 0.01 0.50 0.10 0.93 -2.27 0.00 0.00 179.45 178.72 1xtd h GLU 144 N 0.77 0.57 -0.37 1.90 5.08 -0.80 -1.45 114.58 120.28 1xtd h GLU 144 Ca 0.40 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1xtd h GLU 144 Cb 0.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xtd h GLU 144 CO -0.26 0.61 -0.02 1.96 -1.00 0.00 0.00 179.01 180.30 1xtd h GLN 145 N 0.43 0.66 -0.20 2.33 1.08 -0.78 -0.95 115.11 117.67 1xtd h GLN 145 Ca 0.11 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1xtd h GLN 145 Cb 0.28 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1xtd h GLN 145 CO -0.00 0.78 0.11 0.35 -0.95 0.00 0.00 178.83 179.12 1xtd h PHE 146 N 0.47 0.28 -0.10 2.96 3.57 -1.32 -1.85 116.94 120.96 1xtd h PHE 146 Ca 0.10 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1xtd h PHE 146 Cb 0.49 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1xtd h PHE 146 CO 0.04 0.26 0.08 -0.44 -2.23 0.00 0.00 178.31 176.02 1xtd h ASP 147 N 0.22 0.00 1.68 0.41 5.19 -1.07 -2.08 116.42 120.76 1xtd h ASP 147 Ca 0.07 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 1xtd h ASP 147 Cb 0.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 1xtd h ASP 147 CO -0.01 0.00 -0.15 0.77 -3.12 0.00 0.00 179.24 176.73 1xtd h SER 148 N 0.00 0.00 0.00 6.45 4.64 -0.31 -3.47 113.55 120.86 1xtd h SER 148 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1xtd h SER 148 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1xtd h SER 148 CO -0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1xtd n GLY 149 N 0.94 0.68 3.76 -0.77 0.00 -0.78 -5.09 105.19 103.93 1xtd n GLY 149 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1xtd n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtd s LYS 150 N -0.62 2.87 -0.16 1.61 1.02 -1.21 -5.00 119.74 118.24 1xtd s LYS 150 Ca 0.00 1.52 -0.29 0.00 0.02 0.00 0.00 55.97 57.22 1xtd s LYS 150 Cb 0.00 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1xtd s LYS 150 CO 0.00 -1.22 1.23 -2.00 -0.92 0.00 0.00 175.35 172.44 1xtd s GLU 151 N -3.82 4.25 -0.17 1.68 2.12 -1.26 -4.55 118.70 116.95 1xtd s GLU 151 Ca 0.70 1.63 -0.16 0.00 0.36 0.00 0.00 54.97 57.50 1xtd s GLU 151 Cb -0.23 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 1xtd s GLU 151 CO 0.38 -0.67 0.37 0.08 -0.54 0.00 0.00 175.26 174.88 1xtd s VAL 152 N 3.35 5.24 -0.27 3.70 1.01 -1.26 -3.79 120.40 128.38 1xtd s VAL 152 Ca 0.54 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 1xtd s VAL 152 Cb -0.21 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1xtd s VAL 152 CO 0.14 0.33 0.01 -0.76 0.00 0.00 0.00 175.10 174.82 1xtd s LEU 153 N 0.80 3.50 0.04 3.92 1.43 0.12 -1.42 118.68 127.07 1xtd s LEU 153 Ca 0.20 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1xtd s LEU 153 Cb -0.14 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1xtd s LEU 153 CO 0.07 -0.15 0.40 0.68 0.23 0.00 0.00 176.35 177.58 1xtd s VAL 154 N 1.42 5.07 -0.26 -1.59 -7.23 -0.72 -0.98 120.40 116.11 1xtd s VAL 154 Ca 0.02 0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 60.75 1xtd s VAL 154 Cb -0.17 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 1xtd s VAL 154 CO -0.01 0.44 0.11 -0.69 -0.31 0.00 0.00 175.10 174.64 1xtd s VAL 155 N -1.24 4.60 -0.28 1.32 1.01 -0.93 -1.00 120.40 123.88 1xtd s VAL 155 Ca 0.28 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 1xtd s VAL 155 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1xtd s VAL 155 CO 0.15 0.30 0.17 -0.69 0.00 0.00 0.00 175.10 175.04 1xtd s VAL 156 N 1.65 5.13 -0.13 2.92 1.01 0.66 -1.46 120.40 130.19 1xtd s VAL 156 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1xtd s VAL 156 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1xtd s VAL 156 CO 0.06 0.26 0.03 -0.69 0.00 0.00 0.00 175.10 174.76 1xtd s VAL 157 N 1.73 4.54 0.03 2.92 1.01 -0.17 -1.07 120.40 129.40 1xtd s VAL 157 Ca 0.07 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1xtd s VAL 157 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1xtd s VAL 157 CO 0.10 0.55 -0.26 -0.55 0.00 0.00 0.00 175.10 174.94 1xtd s SER 158 N -0.38 3.17 -0.36 3.32 0.15 -0.75 -1.77 113.70 117.09 1xtd s SER 158 Ca 0.08 -0.56 0.05 0.00 0.70 0.00 0.00 55.95 56.22 1xtd s SER 158 Cb -0.12 -0.32 0.30 0.00 -1.71 0.00 0.00 66.02 64.17 1xtd s SER 158 CO 0.02 0.27 1.30 0.00 1.20 0.00 0.00 173.24 176.03 1xtd n ALA 159 N 1.91 -2.25 0.00 5.45 0.00 -1.26 -2.03 120.51 122.33 1xtd n ALA 159 Ca -0.17 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1xtd n ALA 159 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1xtd n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtd n GLY 161 N 0.28 0.00 3.72 0.00 0.00 -1.26 -4.76 105.19 103.18 1xtd n GLY 161 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1xtd n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xtd s THR 162 N -1.01 2.87 -0.16 2.61 2.01 -1.26 -5.07 115.64 115.64 1xtd s THR 162 Ca 0.00 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1xtd s THR 162 Cb 0.00 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1xtd s THR 162 CO 0.00 0.07 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.22 1xtd s GLU 163 N 0.73 2.61 0.13 4.92 2.02 -1.26 -4.42 118.70 123.43 1xtd s GLU 163 Ca 0.65 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 55.00 1xtd s GLU 163 Cb -0.41 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1xtd s GLU 163 CO 0.34 -0.23 -0.11 -1.14 0.02 0.00 0.00 175.26 174.14 1xtd s GLN 164 N 1.40 0.99 -0.11 1.61 0.74 -0.73 -4.99 119.66 118.57 1xtd s GLN 164 Ca 0.05 -1.33 -0.28 0.00 0.05 0.00 0.00 55.36 53.86 1xtd s GLN 164 Cb -0.13 -0.65 -0.02 0.00 1.10 0.00 0.00 33.01 33.31 1xtd s GLN 164 CO -0.12 0.10 0.91 0.08 -0.55 0.00 0.00 175.29 175.71 1xtd s VAL 165 N -2.85 4.85 0.00 1.34 1.01 -1.26 -1.00 120.40 122.49 1xtd s VAL 165 Ca 0.12 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1xtd s VAL 165 Cb -0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1xtd s VAL 165 CO 0.01 0.06 0.00 0.18 0.00 0.00 0.00 175.10 175.34 1xtd n LEU 166 N 4.83 0.00 -4.13 3.92 4.77 -0.53 -4.75 117.00 121.11 1xtd n LEU 166 Ca 0.06 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1xtd n LEU 166 Cb 0.49 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 1xtd n LEU 166 CO 0.50 0.00 -0.40 -1.58 -1.33 0.00 0.00 177.39 174.58 1xtd s GLN 167 N -1.76 0.71 0.01 3.23 0.74 -1.22 -5.01 119.66 116.35 1xtd s GLN 167 Ca 0.00 -1.07 0.02 0.00 0.05 0.00 0.00 55.36 54.36 1xtd s GLN 167 Cb 0.00 -0.30 -0.01 0.00 1.10 0.00 0.00 33.01 33.80 1xtd s GLN 167 CO 0.00 0.03 -0.05 -0.08 -0.55 0.00 0.00 175.29 174.63 1xtd s THR 168 N -2.49 0.41 0.36 -0.34 -1.32 -1.26 -2.19 115.64 108.80 1xtd s THR 168 Ca 0.02 -0.48 -0.04 0.00 -1.21 0.00 0.00 61.69 59.97 1xtd s THR 168 Cb -0.02 -0.40 0.01 0.00 -1.51 0.00 0.00 72.50 70.58 1xtd s THR 168 CO -0.02 -0.06 0.54 -1.59 -2.21 0.00 0.00 174.62 171.28 1xtd s LYS 169 N -0.59 2.01 0.29 7.08 -2.85 -0.15 -5.02 119.74 120.50 1xtd s LYS 169 Ca -0.02 -1.73 0.08 0.00 -1.00 0.00 0.00 55.97 53.30 1xtd s LYS 169 Cb -0.04 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.15 1xtd s LYS 169 CO -0.00 -0.86 -0.08 -0.80 0.10 0.00 0.00 175.35 173.71 1xtd s ASN 170 N -3.22 3.05 0.52 0.03 0.02 -1.26 0.14 114.94 114.23 1xtd s ASN 170 Ca 0.28 -1.17 -0.01 0.00 -1.02 0.00 0.00 52.86 50.94 1xtd s ASN 170 Cb -0.01 -0.22 0.02 0.00 0.02 0.00 0.00 41.25 41.05 1xtd s ASN 170 CO 0.19 -0.27 0.76 0.00 0.02 0.00 0.00 177.10 177.81 1xtd s ALA 171 N -2.87 3.70 -2.92 0.60 0.00 -1.25 -4.95 121.76 114.07 1xtd s ALA 171 Ca 0.30 -1.09 0.25 0.00 0.00 0.00 0.00 51.96 51.41 1xtd s ALA 171 Cb 0.02 -2.22 0.33 0.00 0.00 0.00 0.00 23.12 21.26 1xtd s ALA 171 CO 0.13 -0.64 1.34 0.00 0.00 0.00 0.00 175.76 176.59